1 GLY 1 N -0.0057 0.0046 0.0081 2 GLY 1 CA -0.0038 0.0044 0.0084 3 GLY 1 C -0.0060 0.0045 0.0090 4 GLY 1 O -0.0077 0.0044 0.0116 5 GLY 1 H1 -0.0041 0.0045 0.0079 6 GLY 1 H2 -0.0073 0.0050 0.0060 7 GLY 1 H3 -0.0072 0.0045 0.0103 8 GLY 1 HA2 -0.0020 0.0040 0.0105 9 GLY 1 HA3 -0.0023 0.0045 0.0061 10 GLY 2 N -0.0061 0.0048 0.0066 11 GLY 2 CA -0.0082 0.0049 0.0070 12 GLY 2 C -0.0097 0.0054 0.0037 13 GLY 2 O -0.0086 0.0057 0.0010 14 GLY 2 H -0.0047 0.0049 0.0046 15 GLY 2 HA2 -0.0102 0.0049 0.0088 16 GLY 2 HA3 -0.0067 0.0047 0.0079 17 SER 3 N -0.0123 0.0057 0.0038 18 SER 3 CA -0.0139 0.0061 0.0008 19 SER 3 C -0.0139 0.0062 0.0007 20 SER 3 O -0.0142 0.0059 0.0034 21 SER 3 CB -0.0175 0.0065 0.0007 22 SER 3 OG -0.0176 0.0064 0.0011 23 SER 3 H -0.0130 0.0055 0.0060 24 SER 3 HA -0.0125 0.0063 -0.0014 25 SER 3 HB2 -0.0190 0.0064 0.0027 26 SER 3 HB3 -0.0186 0.0069 -0.0017 27 SER 3 HG -0.0156 0.0064 -0.0000 28 MET 4 N -0.0137 0.0065 -0.0023 29 MET 4 CA -0.0137 0.0066 -0.0029 30 MET 4 C -0.0106 0.0061 -0.0013 31 MET 4 O -0.0107 0.0058 0.0015 32 MET 4 CB -0.0169 0.0067 -0.0015 33 MET 4 CG -0.0201 0.0072 -0.0033 34 MET 4 SD -0.0237 0.0074 -0.0025 35 MET 4 CE -0.0225 0.0075 -0.0048 36 MET 4 H -0.0135 0.0067 -0.0043 37 MET 4 HA -0.0136 0.0069 -0.0056 38 MET 4 HB2 -0.0172 0.0064 0.0011 39 MET 4 HB3 -0.0167 0.0067 -0.0018 40 MET 4 HG2 -0.0196 0.0074 -0.0060 41 MET 4 HG3 -0.0207 0.0071 -0.0025 42 MET 4 HE1 -0.0202 0.0072 -0.0037 43 MET 4 HE2 -0.0245 0.0077 -0.0046 44 MET 4 HE3 -0.0220 0.0078 -0.0074 45 ARG 5 N -0.0078 0.0061 -0.0032 46 ARG 5 CA -0.0047 0.0057 -0.0020 47 ARG 5 C -0.0051 0.0057 -0.0020 48 ARG 5 O -0.0065 0.0061 -0.0043 49 ARG 5 CB -0.0017 0.0057 -0.0042 50 ARG 5 CG -0.0007 0.0055 -0.0038 51 ARG 5 CD -0.0029 0.0060 -0.0059 52 ARG 5 NE -0.0023 0.0058 -0.0052 53 ARG 5 CZ -0.0043 0.0061 -0.0062 54 ARG 5 NH1 -0.0070 0.0066 -0.0081 55 ARG 5 NH2 -0.0035 0.0060 -0.0054 56 ARG 5 H -0.0079 0.0063 -0.0055 57 ARG 5 HA -0.0043 0.0053 0.0005 58 ARG 5 HB2 -0.0023 0.0060 -0.0068 59 ARG 5 HB3 0.0005 0.0054 -0.0036 60 ARG 5 HG2 0.0019 0.0054 -0.0046 61 ARG 5 HG3 -0.0009 0.0052 -0.0012 62 ARG 5 HD2 -0.0055 0.0061 -0.0054 63 ARG 5 HD3 -0.0024 0.0062 -0.0086 64 ARG 5 HE -0.0003 0.0055 -0.0038 65 ARG 5 HH11 -0.0075 0.0067 -0.0087 66 ARG 5 HH12 -0.0085 0.0068 -0.0089 67 ARG 5 HH21 -0.0015 0.0056 -0.0040 68 ARG 5 HH22 -0.0050 0.0062 -0.0062 69 PRO 6 N -0.0039 0.0053 0.0007 70 PRO 6 CA -0.0042 0.0053 0.0010 71 PRO 6 C -0.0013 0.0052 -0.0007 72 PRO 6 O 0.0016 0.0048 0.0005 73 PRO 6 CB -0.0042 0.0048 0.0048 74 PRO 6 CG -0.0037 0.0046 0.0064 75 PRO 6 CD -0.0022 0.0048 0.0036 76 PRO 6 HA -0.0066 0.0056 -0.0000 77 PRO 6 HB2 -0.0022 0.0046 0.0055 78 PRO 6 HB3 -0.0066 0.0050 0.0056 79 PRO 6 HG2 -0.0020 0.0042 0.0084 80 PRO 6 HG3 -0.0061 0.0047 0.0072 81 PRO 6 HD2 0.0005 0.0046 0.0034 82 PRO 6 HD3 -0.0029 0.0048 0.0041 83 PRO 7 N 0.0075 0.0038 -0.0037 84 PRO 7 CA 0.0067 0.0031 -0.0029 85 PRO 7 C 0.0067 0.0033 -0.0032 86 PRO 7 O 0.0078 0.0037 -0.0033 87 PRO 7 CB 0.0075 0.0027 -0.0015 88 PRO 7 CG 0.0084 0.0031 -0.0016 89 PRO 7 CD 0.0087 0.0039 -0.0030 90 PRO 7 HA 0.0057 0.0028 -0.0029 91 PRO 7 HB2 0.0080 0.0027 -0.0012 92 PRO 7 HB3 0.0067 0.0021 -0.0009 93 PRO 7 HG2 0.0094 0.0030 -0.0010 94 PRO 7 HG3 0.0079 0.0028 -0.0014 95 PRO 7 HD2 0.0096 0.0042 -0.0031 96 PRO 7 HD3 0.0089 0.0041 -0.0033 97 ILE 8 N 0.0055 0.0030 -0.0034 98 ILE 8 CA 0.0053 0.0031 -0.0036 99 ILE 8 C 0.0053 0.0024 -0.0024 100 ILE 8 O 0.0044 0.0018 -0.0017 101 ILE 8 CB 0.0040 0.0031 -0.0045 102 ILE 8 CG1 0.0037 0.0035 -0.0055 103 ILE 8 CG2 0.0041 0.0035 -0.0052 104 ILE 8 CD1 0.0023 0.0034 -0.0062 105 ILE 8 H 0.0047 0.0027 -0.0033 106 ILE 8 HA 0.0062 0.0036 -0.0041 107 ILE 8 HB 0.0032 0.0025 -0.0040 108 ILE 8 HG12 0.0044 0.0041 -0.0062 109 ILE 8 HG13 0.0039 0.0033 -0.0050 110 ILE 8 HG21 0.0043 0.0032 -0.0046 111 ILE 8 HG22 0.0031 0.0035 -0.0058 112 ILE 8 HG23 0.0049 0.0041 -0.0058 113 ILE 8 HD11 0.0017 0.0031 -0.0060 114 ILE 8 HD12 0.0017 0.0031 -0.0059 115 ILE 8 HD13 0.0023 0.0040 -0.0072 116 ILE 9 N 0.0064 0.0026 -0.0020 117 ILE 9 CA 0.0065 0.0020 -0.0008 118 ILE 9 C 0.0055 0.0017 -0.0009 119 ILE 9 O 0.0059 0.0021 -0.0014 120 ILE 9 CB 0.0080 0.0022 -0.0003 121 ILE 9 CG1 0.0090 0.0027 -0.0006 122 ILE 9 CG2 0.0082 0.0015 0.0012 123 ILE 9 CD1 0.0090 0.0024 0.0001 124 ILE 9 H 0.0071 0.0031 -0.0025 125 ILE 9 HA 0.0062 0.0015 -0.0001 126 ILE 9 HB 0.0081 0.0025 -0.0008 127 ILE 9 HG12 0.0088 0.0032 -0.0016 128 ILE 9 HG13 0.0101 0.0030 -0.0004 129 ILE 9 HG21 0.0075 0.0012 0.0014 130 ILE 9 HG22 0.0092 0.0017 0.0015 131 ILE 9 HG23 0.0079 0.0012 0.0016 132 ILE 9 HD11 0.0099 0.0027 -0.0001 133 ILE 9 HD12 0.0081 0.0022 -0.0002 134 ILE 9 HD13 0.0092 0.0019 0.0011 135 ILE 10 N 0.0043 0.0011 -0.0004 136 ILE 10 CA 0.0034 0.0008 -0.0004 137 ILE 10 C 0.0040 0.0004 0.0007 138 ILE 10 O 0.0049 0.0002 0.0015 139 ILE 10 CB 0.0019 0.0002 -0.0003 140 ILE 10 CG1 0.0013 0.0005 -0.0013 141 ILE 10 CG2 0.0009 -0.0001 -0.0004 142 ILE 10 CD1 0.0005 -0.0000 -0.0007 143 ILE 10 H 0.0041 0.0008 -0.0001 144 ILE 10 HA 0.0034 0.0012 -0.0013 145 ILE 10 HB 0.0019 -0.0003 0.0007 146 ILE 10 HG12 0.0006 0.0007 -0.0020 147 ILE 10 HG13 0.0021 0.0010 -0.0017 148 ILE 10 HG21 -0.0001 -0.0003 -0.0006 149 ILE 10 HG22 0.0012 0.0004 -0.0011 150 ILE 10 HG23 0.0011 -0.0005 0.0005 151 ILE 10 HD11 0.0012 -0.0002 0.0001 152 ILE 10 HD12 0.0001 0.0002 -0.0015 153 ILE 10 HD13 -0.0004 -0.0005 -0.0003 154 HIS 11 N 0.0034 0.0001 0.0008 155 HIS 11 CA 0.0038 -0.0003 0.0018 156 HIS 11 C 0.0026 -0.0008 0.0021 157 HIS 11 O 0.0020 -0.0006 0.0012 158 HIS 11 CB 0.0050 0.0003 0.0015 159 HIS 11 CG 0.0055 -0.0001 0.0025 160 HIS 11 ND1 0.0053 -0.0001 0.0024 161 HIS 11 CD2 0.0062 -0.0005 0.0037 162 HIS 11 CE1 0.0058 -0.0005 0.0035 163 HIS 11 NE2 0.0064 -0.0007 0.0043 164 HIS 11 H 0.0027 0.0003 0.0001 165 HIS 11 HA 0.0042 -0.0006 0.0027 166 HIS 11 HB2 0.0059 0.0007 0.0013 167 HIS 11 HB3 0.0046 0.0006 0.0006 168 HIS 11 HD2 0.0066 -0.0006 0.0041 169 HIS 11 HE1 0.0058 -0.0006 0.0037 170 HIS 11 HE2 0.0070 -0.0009 0.0051 171 ARG 12 N 0.0022 -0.0015 0.0032 172 ARG 12 CA 0.0010 -0.0021 0.0036 173 ARG 12 C 0.0013 -0.0021 0.0037 174 ARG 12 O 0.0020 -0.0024 0.0047 175 ARG 12 CB 0.0007 -0.0029 0.0048 176 ARG 12 CG -0.0007 -0.0036 0.0052 177 ARG 12 CD -0.0010 -0.0043 0.0064 178 ARG 12 NE -0.0023 -0.0049 0.0068 179 ARG 12 CZ -0.0024 -0.0056 0.0081 180 ARG 12 NH1 -0.0013 -0.0058 0.0090 181 ARG 12 NH2 -0.0036 -0.0062 0.0083 182 ARG 12 H 0.0027 -0.0017 0.0038 183 ARG 12 HA 0.0001 -0.0020 0.0028 184 ARG 12 HB2 0.0006 -0.0029 0.0047 185 ARG 12 HB3 0.0015 -0.0030 0.0056 186 ARG 12 HG2 -0.0005 -0.0036 0.0055 187 ARG 12 HG3 -0.0015 -0.0034 0.0044 188 ARG 12 HD2 -0.0011 -0.0042 0.0062 189 ARG 12 HD3 -0.0001 -0.0044 0.0072 190 ARG 12 HE -0.0031 -0.0049 0.0062 191 ARG 12 HH11 -0.0004 -0.0053 0.0088 192 ARG 12 HH12 -0.0014 -0.0063 0.0099 193 ARG 12 HH21 -0.0044 -0.0061 0.0076 194 ARG 12 HH22 -0.0037 -0.0067 0.0093 195 ALA 13 N -0.0007 -0.0016 0.0018 196 ALA 13 CA -0.0009 -0.0017 0.0017 197 ALA 13 C -0.0024 -0.0022 0.0028 198 ALA 13 O -0.0036 -0.0024 0.0022 199 ALA 13 CB -0.0013 -0.0014 -0.0002 200 ALA 13 H -0.0011 -0.0015 0.0009 201 ALA 13 HA 0.0002 -0.0015 0.0022 202 ALA 13 HB1 -0.0001 -0.0010 -0.0009 203 ALA 13 HB2 -0.0016 -0.0015 -0.0002 204 ALA 13 HB3 -0.0023 -0.0016 -0.0007 205 GLY 14 N -0.0022 -0.0025 0.0045 206 GLY 14 CA -0.0035 -0.0031 0.0057 207 GLY 14 C -0.0052 -0.0034 0.0054 208 GLY 14 O -0.0065 -0.0039 0.0061 209 GLY 14 H -0.0012 -0.0023 0.0049 210 GLY 14 HA2 -0.0030 -0.0032 0.0070 211 GLY 14 HA3 -0.0038 -0.0031 0.0056 212 LYS 15 N -0.0052 -0.0032 0.0044 213 LYS 15 CA -0.0067 -0.0035 0.0040 214 LYS 15 C -0.0064 -0.0034 0.0040 215 LYS 15 O -0.0066 -0.0037 0.0053 216 LYS 15 CB -0.0076 -0.0034 0.0023 217 LYS 15 CG -0.0064 -0.0029 0.0009 218 LYS 15 CD -0.0072 -0.0027 -0.0009 219 LYS 15 CE -0.0085 -0.0029 -0.0014 220 LYS 15 NZ -0.0094 -0.0028 -0.0031 221 LYS 15 H -0.0041 -0.0029 0.0039 222 LYS 15 HA -0.0076 -0.0039 0.0051 223 LYS 15 HB2 -0.0084 -0.0035 0.0018 224 LYS 15 HB3 -0.0085 -0.0037 0.0026 225 LYS 15 HG2 -0.0061 -0.0028 0.0011 226 LYS 15 HG3 -0.0053 -0.0026 0.0011 227 LYS 15 HD2 -0.0062 -0.0023 -0.0018 228 LYS 15 HD3 -0.0078 -0.0029 -0.0009 229 LYS 15 HE2 -0.0095 -0.0034 -0.0004 230 LYS 15 HE3 -0.0079 -0.0028 -0.0013 231 LYS 15 HZ1 -0.0084 -0.0024 -0.0040 232 LYS 15 HZ2 -0.0102 -0.0030 -0.0034 233 LYS 15 HZ3 -0.0101 -0.0030 -0.0031 234 LYS 16 N -0.0058 -0.0030 0.0026 235 LYS 16 CA -0.0054 -0.0029 0.0025 236 LYS 16 C -0.0040 -0.0023 0.0011 237 LYS 16 O -0.0034 -0.0020 0.0003 238 LYS 16 CB -0.0070 -0.0032 0.0019 239 LYS 16 CG -0.0082 -0.0032 0.0006 240 LYS 16 CD -0.0100 -0.0036 0.0005 241 LYS 16 CE -0.0112 -0.0037 -0.0006 242 LYS 16 NZ -0.0130 -0.0042 -0.0007 243 LYS 16 H -0.0055 -0.0028 0.0016 244 LYS 16 HA -0.0049 -0.0030 0.0037 245 LYS 16 HB2 -0.0067 -0.0030 0.0014 246 LYS 16 HB3 -0.0078 -0.0036 0.0031 247 LYS 16 HG2 -0.0083 -0.0033 0.0010 248 LYS 16 HG3 -0.0076 -0.0029 -0.0007 249 LYS 16 HD2 -0.0099 -0.0035 -0.0001 250 LYS 16 HD3 -0.0104 -0.0040 0.0018 251 LYS 16 HE2 -0.0113 -0.0039 -0.0000 252 LYS 16 HE3 -0.0108 -0.0034 -0.0019 253 LYS 16 HZ1 -0.0139 -0.0044 -0.0007 254 LYS 16 HZ2 -0.0131 -0.0044 0.0004 255 LYS 16 HZ3 -0.0131 -0.0040 -0.0018 256 TYR 17 N -0.0036 -0.0022 0.0009 257 TYR 17 CA -0.0023 -0.0016 -0.0003 258 TYR 17 C -0.0032 -0.0015 -0.0021 259 TYR 17 O -0.0023 -0.0011 -0.0033 260 TYR 17 CB -0.0013 -0.0015 0.0004 261 TYR 17 CG -0.0007 -0.0017 0.0022 262 TYR 17 CD1 -0.0017 -0.0022 0.0036 263 TYR 17 CD2 0.0009 -0.0014 0.0027 264 TYR 17 CE1 -0.0011 -0.0024 0.0053 265 TYR 17 CE2 0.0015 -0.0016 0.0044 266 TYR 17 CZ 0.0004 -0.0021 0.0057 267 TYR 17 OH 0.0010 -0.0023 0.0074 268 TYR 17 H -0.0041 -0.0024 0.0016 269 TYR 17 HA -0.0014 -0.0014 -0.0004 270 TYR 17 HB2 -0.0021 -0.0017 0.0002 271 TYR 17 HB3 -0.0002 -0.0011 -0.0004 272 TYR 17 HD1 -0.0029 -0.0024 0.0033 273 TYR 17 HD2 0.0017 -0.0010 0.0016 274 TYR 17 HE1 -0.0020 -0.0028 0.0063 275 TYR 17 HE2 0.0027 -0.0013 0.0047 276 TYR 17 HH 0.0019 -0.0021 0.0075 277 GLY 18 N -0.0048 -0.0019 -0.0022 278 GLY 18 CA -0.0058 -0.0018 -0.0038 279 GLY 18 C -0.0057 -0.0016 -0.0048 280 GLY 18 O -0.0054 -0.0013 -0.0063 281 GLY 18 H -0.0054 -0.0022 -0.0011 282 GLY 18 HA2 -0.0071 -0.0022 -0.0035 283 GLY 18 HA3 -0.0054 -0.0016 -0.0046 284 PHE 19 N -0.0032 -0.0011 -0.0029 285 PHE 19 CA -0.0029 -0.0013 -0.0026 286 PHE 19 C -0.0027 -0.0009 -0.0023 287 PHE 19 O -0.0028 -0.0007 -0.0022 288 PHE 19 CB -0.0026 -0.0017 -0.0026 289 PHE 19 CG -0.0025 -0.0016 -0.0024 290 PHE 19 CD1 -0.0027 -0.0015 -0.0026 291 PHE 19 CD2 -0.0022 -0.0016 -0.0021 292 PHE 19 CE1 -0.0026 -0.0015 -0.0025 293 PHE 19 CE2 -0.0021 -0.0016 -0.0020 294 PHE 19 CZ -0.0023 -0.0015 -0.0022 295 PHE 19 H -0.0033 -0.0009 -0.0028 296 PHE 19 HA -0.0029 -0.0013 -0.0026 297 PHE 19 HB2 -0.0024 -0.0018 -0.0024 298 PHE 19 HB3 -0.0028 -0.0019 -0.0028 299 PHE 19 HD1 -0.0030 -0.0015 -0.0028 300 PHE 19 HD2 -0.0020 -0.0017 -0.0020 301 PHE 19 HE1 -0.0028 -0.0014 -0.0026 302 PHE 19 HE2 -0.0018 -0.0016 -0.0017 303 PHE 19 HZ -0.0022 -0.0014 -0.0020 304 THR 20 N -0.0025 -0.0009 -0.0021 305 THR 20 CA -0.0023 -0.0006 -0.0017 306 THR 20 C -0.0019 -0.0008 -0.0015 307 THR 20 O -0.0017 -0.0011 -0.0014 308 THR 20 CB -0.0022 -0.0005 -0.0016 309 THR 20 OG1 -0.0026 -0.0004 -0.0019 310 THR 20 CG2 -0.0021 -0.0002 -0.0013 311 THR 20 H -0.0024 -0.0012 -0.0021 312 THR 20 HA -0.0024 -0.0003 -0.0017 313 THR 20 HB -0.0021 -0.0008 -0.0016 314 THR 20 HG1 -0.0027 -0.0005 -0.0021 315 THR 20 HG21 -0.0018 -0.0003 -0.0011 316 THR 20 HG22 -0.0020 -0.0002 -0.0012 317 THR 20 HG23 -0.0022 0.0001 -0.0013 318 LEU 21 N -0.0019 -0.0005 -0.0013 319 LEU 21 CA -0.0015 -0.0006 -0.0010 320 LEU 21 C -0.0013 -0.0004 -0.0007 321 LEU 21 O -0.0013 -0.0001 -0.0005 322 LEU 21 CB -0.0016 -0.0005 -0.0010 323 LEU 21 CG -0.0013 -0.0008 -0.0009 324 LEU 21 CD1 -0.0011 -0.0013 -0.0010 325 LEU 21 CD2 -0.0015 -0.0009 -0.0011 326 LEU 21 H -0.0020 -0.0003 -0.0013 327 LEU 21 HA -0.0014 -0.0010 -0.0011 328 LEU 21 HB2 -0.0018 -0.0005 -0.0012 329 LEU 21 HB3 -0.0015 -0.0002 -0.0008 330 LEU 21 HG -0.0011 -0.0007 -0.0007 331 LEU 21 HD11 -0.0013 -0.0014 -0.0012 332 LEU 21 HD12 -0.0010 -0.0012 -0.0008 333 LEU 21 HD13 -0.0010 -0.0015 -0.0009 334 LEU 21 HD21 -0.0013 -0.0011 -0.0010 335 LEU 21 HD22 -0.0016 -0.0006 -0.0011 336 LEU 21 HD23 -0.0017 -0.0011 -0.0014 337 ARG 22 N -0.0011 -0.0006 -0.0006 338 ARG 22 CA -0.0009 -0.0004 -0.0003 339 ARG 22 C -0.0006 -0.0004 -0.0000 340 ARG 22 O -0.0004 -0.0008 -0.0000 341 ARG 22 CB -0.0008 -0.0006 -0.0003 342 ARG 22 CG -0.0008 -0.0004 -0.0002 343 ARG 22 CD -0.0011 -0.0001 -0.0004 344 ARG 22 NE -0.0011 0.0002 -0.0003 345 ARG 22 CZ -0.0014 0.0004 -0.0004 346 ARG 22 NH1 -0.0017 0.0004 -0.0007 347 ARG 22 NH2 -0.0014 0.0006 -0.0003 348 ARG 22 H -0.0011 -0.0009 -0.0008 349 ARG 22 HA -0.0010 -0.0001 -0.0003 350 ARG 22 HB2 -0.0010 -0.0008 -0.0006 351 ARG 22 HB3 -0.0005 -0.0009 -0.0002 352 ARG 22 HG2 -0.0007 -0.0005 -0.0002 353 ARG 22 HG3 -0.0006 -0.0001 0.0001 354 ARG 22 HD2 -0.0013 0.0001 -0.0004 355 ARG 22 HD3 -0.0013 -0.0003 -0.0006 356 ARG 22 HE -0.0009 0.0002 -0.0001 357 ARG 22 HH11 -0.0018 0.0002 -0.0008 358 ARG 22 HH12 -0.0019 0.0006 -0.0008 359 ARG 22 HH21 -0.0012 0.0006 -0.0001 360 ARG 22 HH22 -0.0016 0.0008 -0.0004 361 ALA 23 N -0.0005 -0.0001 0.0002 362 ALA 23 CA -0.0002 -0.0000 0.0005 363 ALA 23 C 0.0001 -0.0001 0.0008 364 ALA 23 O 0.0000 0.0001 0.0008 365 ALA 23 CB -0.0003 0.0004 0.0006 366 ALA 23 H -0.0007 0.0002 0.0002 367 ALA 23 HA -0.0002 -0.0003 0.0004 368 ALA 23 HB1 -0.0003 0.0006 0.0007 369 ALA 23 HB2 -0.0005 0.0004 0.0004 370 ALA 23 HB3 -0.0001 0.0004 0.0008 371 ILE 24 N 0.0004 -0.0003 0.0009 372 ILE 24 CA 0.0007 -0.0004 0.0012 373 ILE 24 C 0.0010 -0.0005 0.0014 374 ILE 24 O 0.0011 -0.0009 0.0014 375 ILE 24 CB 0.0007 -0.0007 0.0011 376 ILE 24 CG1 0.0006 -0.0011 0.0007 377 ILE 24 CG2 0.0005 -0.0005 0.0010 378 ILE 24 CD1 0.0006 -0.0015 0.0006 379 ILE 24 H 0.0004 -0.0005 0.0009 380 ILE 24 HA 0.0007 -0.0001 0.0013 381 ILE 24 HB 0.0010 -0.0009 0.0012 382 ILE 24 HG12 0.0003 -0.0009 0.0005 383 ILE 24 HG13 0.0007 -0.0012 0.0008 384 ILE 24 HG21 0.0003 -0.0004 0.0008 385 ILE 24 HG22 0.0007 -0.0003 0.0012 386 ILE 24 HG23 0.0006 -0.0008 0.0009 387 ILE 24 HD11 0.0009 -0.0016 0.0008 388 ILE 24 HD12 0.0005 -0.0017 0.0004 389 ILE 24 HD13 0.0005 -0.0014 0.0006 390 ARG 25 N 0.0025 -0.0005 0.0013 391 ARG 25 CA 0.0010 -0.0004 0.0003 392 ARG 25 C 0.0013 -0.0008 0.0023 393 ARG 25 O 0.0034 -0.0007 0.0025 394 ARG 25 CB 0.0020 0.0002 -0.0023 395 ARG 25 CG 0.0016 0.0006 -0.0045 396 ARG 25 CD 0.0028 0.0012 -0.0070 397 ARG 25 NE 0.0057 0.0013 -0.0069 398 ARG 25 CZ 0.0073 0.0018 -0.0088 399 ARG 25 NH1 0.0062 0.0022 -0.0110 400 ARG 25 NH2 0.0099 0.0019 -0.0085 401 ARG 25 H 0.0042 -0.0002 0.0005 402 ARG 25 HA -0.0011 -0.0005 0.0002 403 ARG 25 HB2 0.0041 0.0003 -0.0022 404 ARG 25 HB3 0.0010 0.0002 -0.0029 405 ARG 25 HG2 -0.0005 0.0005 -0.0048 406 ARG 25 HG3 0.0025 0.0005 -0.0039 407 ARG 25 HD2 0.0020 0.0012 -0.0074 408 ARG 25 HD3 0.0021 0.0014 -0.0086 409 ARG 25 HE 0.0065 0.0011 -0.0053 410 ARG 25 HH11 0.0042 0.0021 -0.0112 411 ARG 25 HH12 0.0074 0.0025 -0.0124 412 ARG 25 HH21 0.0107 0.0017 -0.0068 413 ARG 25 HH22 0.0111 0.0023 -0.0099 414 VAL 26 N -0.0007 -0.0013 0.0039 415 VAL 26 CA -0.0005 -0.0016 0.0060 416 VAL 26 C -0.0010 -0.0015 0.0049 417 VAL 26 O -0.0033 -0.0015 0.0042 418 VAL 26 CB -0.0025 -0.0022 0.0082 419 VAL 26 CG1 -0.0015 -0.0025 0.0100 420 VAL 26 CG2 -0.0052 -0.0022 0.0071 421 VAL 26 H -0.0023 -0.0013 0.0037 422 VAL 26 HA 0.0015 -0.0017 0.0068 423 VAL 26 HB -0.0027 -0.0025 0.0093 424 VAL 26 HG11 -0.0030 -0.0029 0.0113 425 VAL 26 HG12 -0.0008 -0.0022 0.0088 426 VAL 26 HG13 0.0002 -0.0026 0.0111 427 VAL 26 HG21 -0.0066 -0.0026 0.0087 428 VAL 26 HG22 -0.0059 -0.0020 0.0058 429 VAL 26 HG23 -0.0051 -0.0020 0.0061 430 TYR 27 N 0.0011 -0.0013 0.0047 431 TYR 27 CA 0.0009 -0.0011 0.0037 432 TYR 27 C -0.0001 -0.0016 0.0059 433 TYR 27 O 0.0003 -0.0020 0.0082 434 TYR 27 CB 0.0036 -0.0007 0.0028 435 TYR 27 CG 0.0044 -0.0001 0.0000 436 TYR 27 CD1 0.0054 0.0000 -0.0005 437 TYR 27 CD2 0.0041 0.0003 -0.0020 438 TYR 27 CE1 0.0061 0.0006 -0.0030 439 TYR 27 CE2 0.0049 0.0008 -0.0045 440 TYR 27 CZ 0.0058 0.0010 -0.0050 441 TYR 27 OH 0.0066 0.0015 -0.0075 442 TYR 27 H 0.0029 -0.0013 0.0051 443 TYR 27 HA -0.0005 -0.0009 0.0021 444 TYR 27 HB2 0.0052 -0.0009 0.0041 445 TYR 27 HB3 0.0036 -0.0008 0.0029 446 TYR 27 HD1 0.0056 -0.0003 0.0011 447 TYR 27 HD2 0.0034 0.0001 -0.0016 448 TYR 27 HE1 0.0069 0.0007 -0.0034 449 TYR 27 HE2 0.0046 0.0011 -0.0061 450 TYR 27 HH 0.0053 0.0017 -0.0088 451 MET 28 N -0.0015 -0.0015 0.0051 452 MET 28 CA -0.0025 -0.0020 0.0071 453 MET 28 C -0.0005 -0.0020 0.0077 454 MET 28 O -0.0010 -0.0024 0.0094 455 MET 28 CB -0.0051 -0.0020 0.0061 456 MET 28 CG -0.0071 -0.0019 0.0050 457 MET 28 SD -0.0080 -0.0024 0.0074 458 MET 28 CE -0.0104 -0.0022 0.0055 459 MET 28 H -0.0018 -0.0012 0.0033 460 MET 28 HA -0.0029 -0.0024 0.0088 461 MET 28 HB2 -0.0046 -0.0016 0.0045 462 MET 28 HB3 -0.0060 -0.0023 0.0076 463 MET 28 HG2 -0.0063 -0.0015 0.0033 464 MET 28 HG3 -0.0089 -0.0019 0.0045 465 MET 28 HE1 -0.0111 -0.0025 0.0067 466 MET 28 HE2 -0.0120 -0.0022 0.0049 467 MET 28 HE3 -0.0095 -0.0018 0.0038 468 GLY 29 N 0.0018 -0.0016 0.0065 469 GLY 29 CA 0.0038 -0.0016 0.0070 470 GLY 29 C 0.0055 -0.0010 0.0046 471 GLY 29 O 0.0064 -0.0007 0.0034 472 GLY 29 H 0.0021 -0.0013 0.0052 473 GLY 29 HA2 0.0051 -0.0018 0.0086 474 GLY 29 HA3 0.0029 -0.0017 0.0075 475 ASP 30 N 0.0060 -0.0008 0.0039 476 ASP 30 CA 0.0077 -0.0003 0.0017 477 ASP 30 C 0.0060 0.0001 -0.0008 478 ASP 30 O 0.0071 0.0006 -0.0030 479 ASP 30 CB 0.0089 -0.0003 0.0021 480 ASP 30 CG 0.0109 0.0003 0.0000 481 ASP 30 OD1 0.0132 0.0004 0.0003 482 ASP 30 OD2 0.0102 0.0006 -0.0019 483 ASP 30 H 0.0052 -0.0011 0.0050 484 ASP 30 HA 0.0092 -0.0001 0.0016 485 ASP 30 HB2 0.0098 -0.0006 0.0040 486 ASP 30 HB3 0.0073 -0.0003 0.0020 487 SER 31 N 0.0002 -0.0010 -0.0040 488 SER 31 CA -0.0016 -0.0009 -0.0064 489 SER 31 C -0.0011 -0.0009 -0.0073 490 SER 31 O 0.0003 -0.0010 -0.0059 491 SER 31 CB -0.0047 -0.0006 -0.0054 492 SER 31 OG -0.0050 -0.0006 -0.0024 493 SER 31 H -0.0006 -0.0009 -0.0021 494 SER 31 HA -0.0012 -0.0009 -0.0081 495 SER 31 HB2 -0.0060 -0.0005 -0.0064 496 SER 31 HB3 -0.0054 -0.0005 -0.0060 497 SER 31 HG -0.0069 -0.0004 -0.0019 498 ASP 32 N -0.0022 -0.0008 -0.0098 499 ASP 32 CA -0.0018 -0.0009 -0.0111 500 ASP 32 C -0.0037 -0.0007 -0.0097 501 ASP 32 O -0.0035 -0.0007 -0.0104 502 ASP 32 CB -0.0023 -0.0009 -0.0143 503 ASP 32 CG -0.0009 -0.0010 -0.0158 504 ASP 32 OD1 0.0017 -0.0012 -0.0158 505 ASP 32 OD2 -0.0025 -0.0009 -0.0172 506 ASP 32 H -0.0033 -0.0008 -0.0109 507 ASP 32 HA 0.0004 -0.0011 -0.0107 508 ASP 32 HB2 -0.0014 -0.0010 -0.0151 509 ASP 32 HB3 -0.0045 -0.0007 -0.0147 510 VAL 33 N -0.0055 -0.0006 -0.0078 511 VAL 33 CA -0.0075 -0.0004 -0.0065 512 VAL 33 C -0.0060 -0.0005 -0.0042 513 VAL 33 O -0.0047 -0.0006 -0.0023 514 VAL 33 CB -0.0101 -0.0002 -0.0052 515 VAL 33 CG1 -0.0093 -0.0002 -0.0034 516 VAL 33 CG2 -0.0120 0.0000 -0.0036 517 VAL 33 H -0.0056 -0.0005 -0.0073 518 VAL 33 HA -0.0082 -0.0003 -0.0081 519 VAL 33 HB -0.0113 -0.0001 -0.0070 520 VAL 33 HG11 -0.0082 -0.0003 -0.0047 521 VAL 33 HG12 -0.0111 -0.0000 -0.0025 522 VAL 33 HG13 -0.0079 -0.0003 -0.0018 523 VAL 33 HG21 -0.0128 0.0001 -0.0050 524 VAL 33 HG22 -0.0107 -0.0001 -0.0020 525 VAL 33 HG23 -0.0137 0.0002 -0.0026 526 TYR 34 N -0.0063 -0.0005 -0.0044 527 TYR 34 CA -0.0051 -0.0005 -0.0024 528 TYR 34 C -0.0066 -0.0004 -0.0025 529 TYR 34 O -0.0079 -0.0003 -0.0046 530 TYR 34 CB -0.0020 -0.0008 -0.0031 531 TYR 34 CG -0.0014 -0.0009 -0.0059 532 TYR 34 CD1 -0.0014 -0.0009 -0.0061 533 TYR 34 CD2 -0.0009 -0.0009 -0.0083 534 TYR 34 CE1 -0.0009 -0.0009 -0.0087 535 TYR 34 CE2 -0.0004 -0.0010 -0.0109 536 TYR 34 CZ -0.0004 -0.0010 -0.0111 537 TYR 34 OH 0.0001 -0.0011 -0.0136 538 TYR 34 H -0.0075 -0.0004 -0.0060 539 TYR 34 HA -0.0053 -0.0005 -0.0003 540 TYR 34 HB2 -0.0010 -0.0009 -0.0015 541 TYR 34 HB3 -0.0009 -0.0009 -0.0031 542 TYR 34 HD1 -0.0017 -0.0008 -0.0043 543 TYR 34 HD2 -0.0010 -0.0009 -0.0082 544 TYR 34 HE1 -0.0008 -0.0010 -0.0088 545 TYR 34 HE2 -0.0000 -0.0010 -0.0128 546 TYR 34 HH -0.0007 -0.0010 -0.0151 547 THR 35 N -0.0065 -0.0004 -0.0002 548 THR 35 CA -0.0079 -0.0003 -0.0000 549 THR 35 C -0.0057 -0.0005 0.0003 550 THR 35 O -0.0038 -0.0006 0.0021 551 THR 35 CB -0.0100 -0.0001 0.0024 552 THR 35 OG1 -0.0100 -0.0001 0.0040 553 THR 35 CG2 -0.0130 0.0001 0.0013 554 THR 35 H -0.0056 -0.0005 0.0015 555 THR 35 HA -0.0090 -0.0002 -0.0020 556 THR 35 HB -0.0094 -0.0001 0.0038 557 THR 35 HG1 -0.0099 -0.0001 0.0060 558 THR 35 HG21 -0.0136 0.0002 -0.0002 559 THR 35 HG22 -0.0130 0.0001 0.0002 560 THR 35 HG23 -0.0144 0.0003 0.0030 561 VAL 36 N -0.0058 -0.0005 -0.0015 562 VAL 36 CA -0.0038 -0.0006 -0.0014 563 VAL 36 C -0.0047 -0.0005 0.0009 564 VAL 36 O -0.0065 -0.0004 0.0004 565 VAL 36 CB -0.0036 -0.0007 -0.0042 566 VAL 36 CG1 -0.0010 -0.0009 -0.0043 567 VAL 36 CG2 -0.0036 -0.0007 -0.0067 568 VAL 36 H -0.0074 -0.0004 -0.0029 569 VAL 36 HA -0.0018 -0.0008 -0.0009 570 VAL 36 HB -0.0054 -0.0005 -0.0045 571 VAL 36 HG11 -0.0010 -0.0009 -0.0062 572 VAL 36 HG12 0.0009 -0.0010 -0.0043 573 VAL 36 HG13 -0.0009 -0.0009 -0.0025 574 VAL 36 HG21 -0.0056 -0.0005 -0.0067 575 VAL 36 HG22 -0.0019 -0.0008 -0.0065 576 VAL 36 HG23 -0.0034 -0.0007 -0.0087 577 HIS 37 N -0.0010 -0.0009 0.0000 578 HIS 37 CA -0.0011 -0.0011 -0.0003 579 HIS 37 C -0.0012 -0.0008 -0.0005 580 HIS 37 O -0.0012 -0.0005 -0.0005 581 HIS 37 CB -0.0010 -0.0013 -0.0001 582 HIS 37 CG -0.0009 -0.0017 0.0001 583 HIS 37 ND1 -0.0009 -0.0019 0.0000 584 HIS 37 CD2 -0.0007 -0.0018 0.0004 585 HIS 37 CE1 -0.0008 -0.0021 0.0003 586 HIS 37 NE2 -0.0007 -0.0021 0.0005 587 HIS 37 H -0.0009 -0.0008 0.0002 588 HIS 37 HA -0.0011 -0.0013 -0.0004 589 HIS 37 HB2 -0.0009 -0.0012 0.0001 590 HIS 37 HB3 -0.0011 -0.0015 -0.0003 591 HIS 37 HD2 -0.0007 -0.0017 0.0005 592 HIS 37 HE1 -0.0008 -0.0023 0.0003 593 HIS 37 HE2 -0.0006 -0.0023 0.0006 594 HIS 38 N -0.0013 -0.0010 -0.0008 595 HIS 38 CA -0.0014 -0.0007 -0.0011 596 HIS 38 C -0.0015 -0.0009 -0.0012 597 HIS 38 O -0.0014 -0.0013 -0.0012 598 HIS 38 CB -0.0015 -0.0007 -0.0014 599 HIS 38 CG -0.0015 -0.0005 -0.0013 600 HIS 38 ND1 -0.0015 -0.0001 -0.0012 601 HIS 38 CD2 -0.0015 -0.0006 -0.0012 602 HIS 38 CE1 -0.0015 -0.0000 -0.0011 603 HIS 38 NE2 -0.0015 -0.0003 -0.0011 604 HIS 38 H -0.0013 -0.0013 -0.0008 605 HIS 38 HA -0.0014 -0.0005 -0.0010 606 HIS 38 HB2 -0.0016 -0.0009 -0.0015 607 HIS 38 HB3 -0.0016 -0.0005 -0.0016 608 HIS 38 HD2 -0.0015 -0.0009 -0.0013 609 HIS 38 HE1 -0.0015 0.0003 -0.0010 610 HIS 38 HE2 -0.0014 -0.0003 -0.0010 611 MET 39 N -0.0015 -0.0007 -0.0013 612 MET 39 CA -0.0016 -0.0009 -0.0015 613 MET 39 C -0.0017 -0.0007 -0.0018 614 MET 39 O -0.0017 -0.0003 -0.0018 615 MET 39 CB -0.0014 -0.0009 -0.0012 616 MET 39 CG -0.0013 -0.0012 -0.0009 617 MET 39 SD -0.0012 -0.0014 -0.0007 618 MET 39 CE -0.0011 -0.0010 -0.0004 619 MET 39 H -0.0015 -0.0005 -0.0013 620 MET 39 HA -0.0016 -0.0012 -0.0016 621 MET 39 HB2 -0.0014 -0.0006 -0.0011 622 MET 39 HB3 -0.0015 -0.0010 -0.0013 623 MET 39 HG2 -0.0013 -0.0014 -0.0010 624 MET 39 HG3 -0.0012 -0.0011 -0.0007 625 MET 39 HE1 -0.0012 -0.0007 -0.0006 626 MET 39 HE2 -0.0011 -0.0009 -0.0002 627 MET 39 HE3 -0.0011 -0.0010 -0.0003 628 VAL 40 N -0.0018 -0.0009 -0.0021 629 VAL 40 CA -0.0019 -0.0007 -0.0024 630 VAL 40 C -0.0019 -0.0005 -0.0022 631 VAL 40 O -0.0019 -0.0006 -0.0022 632 VAL 40 CB -0.0021 -0.0009 -0.0027 633 VAL 40 CG1 -0.0020 -0.0013 -0.0026 634 VAL 40 CG2 -0.0022 -0.0007 -0.0030 635 VAL 40 H -0.0018 -0.0011 -0.0020 636 VAL 40 HA -0.0020 -0.0004 -0.0024 637 VAL 40 HB -0.0021 -0.0010 -0.0028 638 VAL 40 HG11 -0.0019 -0.0015 -0.0025 639 VAL 40 HG12 -0.0021 -0.0014 -0.0028 640 VAL 40 HG13 -0.0019 -0.0012 -0.0024 641 VAL 40 HG21 -0.0023 -0.0009 -0.0032 642 VAL 40 HG22 -0.0022 -0.0004 -0.0030 643 VAL 40 HG23 -0.0022 -0.0007 -0.0029 644 TRP 41 N -0.0019 -0.0001 -0.0022 645 TRP 41 CA -0.0019 0.0002 -0.0021 646 TRP 41 C -0.0020 0.0002 -0.0024 647 TRP 41 O -0.0020 0.0002 -0.0023 648 TRP 41 CB -0.0019 0.0005 -0.0020 649 TRP 41 CG -0.0018 0.0008 -0.0017 650 TRP 41 CD1 -0.0018 0.0011 -0.0018 651 TRP 41 CD2 -0.0016 0.0006 -0.0014 652 TRP 41 NE1 -0.0017 0.0012 -0.0015 653 TRP 41 CE2 -0.0016 0.0009 -0.0012 654 TRP 41 CE3 -0.0015 0.0003 -0.0012 655 TRP 41 CZ2 -0.0014 0.0009 -0.0009 656 TRP 41 CZ3 -0.0014 0.0002 -0.0009 657 TRP 41 CH2 -0.0014 0.0005 -0.0007 658 TRP 41 H -0.0019 0.0000 -0.0022 659 TRP 41 HA -0.0018 0.0000 -0.0019 660 TRP 41 HB2 -0.0018 0.0005 -0.0019 661 TRP 41 HB3 -0.0020 0.0007 -0.0022 662 TRP 41 HD1 -0.0019 0.0013 -0.0020 663 TRP 41 HE1 -0.0017 0.0015 -0.0014 664 TRP 41 HE3 -0.0016 0.0000 -0.0013 665 TRP 41 HZ2 -0.0014 0.0011 -0.0008 666 TRP 41 HZ3 -0.0013 -0.0000 -0.0008 667 TRP 41 HH2 -0.0013 0.0005 -0.0005 668 HIS 42 N -0.0021 0.0002 -0.0027 669 HIS 42 CA -0.0023 0.0003 -0.0030 670 HIS 42 C -0.0024 0.0001 -0.0033 671 HIS 42 O -0.0024 0.0003 -0.0034 672 HIS 42 CB -0.0023 0.0007 -0.0030 673 HIS 42 CG -0.0024 0.0008 -0.0032 674 HIS 42 ND1 -0.0023 0.0008 -0.0030 675 HIS 42 CD2 -0.0025 0.0008 -0.0035 676 HIS 42 CE1 -0.0024 0.0009 -0.0032 677 HIS 42 NE2 -0.0025 0.0009 -0.0035 678 HIS 42 H -0.0021 0.0002 -0.0027 679 HIS 42 HA -0.0022 0.0001 -0.0030 680 HIS 42 HB2 -0.0022 0.0008 -0.0028 681 HIS 42 HB3 -0.0024 0.0008 -0.0032 682 HIS 42 HD2 -0.0026 0.0007 -0.0038 683 HIS 42 HE1 -0.0023 0.0009 -0.0031 684 HIS 42 HE2 -0.0026 0.0010 -0.0037 685 VAL 43 N -0.0054 0.0001 -0.0061 686 VAL 43 CA -0.0047 0.0001 -0.0060 687 VAL 43 C -0.0056 0.0001 -0.0073 688 VAL 43 O -0.0057 0.0001 -0.0089 689 VAL 43 CB -0.0028 -0.0002 -0.0063 690 VAL 43 CG1 -0.0023 -0.0003 -0.0079 691 VAL 43 CG2 -0.0020 -0.0003 -0.0063 692 VAL 43 H -0.0054 0.0001 -0.0072 693 VAL 43 HA -0.0050 0.0001 -0.0048 694 VAL 43 HB -0.0022 -0.0003 -0.0052 695 VAL 43 HG11 -0.0026 -0.0003 -0.0078 696 VAL 43 HG12 -0.0009 -0.0005 -0.0081 697 VAL 43 HG13 -0.0030 -0.0003 -0.0090 698 VAL 43 HG21 -0.0024 -0.0002 -0.0051 699 VAL 43 HG22 -0.0026 -0.0003 -0.0073 700 VAL 43 HG23 -0.0007 -0.0005 -0.0064 701 GLU 44 N -0.0062 0.0002 -0.0067 702 GLU 44 CA -0.0072 0.0003 -0.0076 703 GLU 44 C -0.0060 0.0001 -0.0090 704 GLU 44 O -0.0049 -0.0000 -0.0085 705 GLU 44 CB -0.0079 0.0005 -0.0064 706 GLU 44 CG -0.0097 0.0007 -0.0058 707 GLU 44 CD -0.0103 0.0009 -0.0046 708 GLU 44 OE1 -0.0099 0.0009 -0.0030 709 GLU 44 OE2 -0.0112 0.0010 -0.0051 710 GLU 44 H -0.0061 0.0003 -0.0054 711 GLU 44 HA -0.0082 0.0005 -0.0083 712 GLU 44 HB2 -0.0070 0.0004 -0.0053 713 GLU 44 HB3 -0.0079 0.0005 -0.0071 714 GLU 44 HG2 -0.0105 0.0008 -0.0069 715 GLU 44 HG3 -0.0096 0.0008 -0.0051 716 ASP 45 N -0.0063 0.0001 -0.0106 717 ASP 45 CA -0.0054 -0.0001 -0.0120 718 ASP 45 C -0.0061 0.0000 -0.0125 719 ASP 45 O -0.0064 0.0000 -0.0140 720 ASP 45 CB -0.0054 -0.0001 -0.0136 721 ASP 45 CG -0.0072 0.0001 -0.0142 722 ASP 45 OD1 -0.0081 0.0003 -0.0133 723 ASP 45 OD2 -0.0077 0.0001 -0.0156 724 ASP 45 H -0.0073 0.0002 -0.0109 725 ASP 45 HA -0.0041 -0.0002 -0.0116 726 ASP 45 HB2 -0.0048 -0.0002 -0.0147 727 ASP 45 HB3 -0.0048 -0.0002 -0.0133 728 GLY 46 N -0.0063 0.0001 -0.0111 729 GLY 46 CA -0.0070 0.0002 -0.0114 730 GLY 46 C -0.0060 0.0001 -0.0105 731 GLY 46 O -0.0066 0.0002 -0.0104 732 GLY 46 H -0.0060 0.0001 -0.0100 733 GLY 46 HA2 -0.0070 0.0001 -0.0128 734 GLY 46 HA3 -0.0083 0.0004 -0.0109 735 GLY 47 N -0.0044 -0.0001 -0.0100 736 GLY 47 CA -0.0034 -0.0002 -0.0091 737 GLY 47 C -0.0020 -0.0004 -0.0079 738 GLY 47 O -0.0005 -0.0006 -0.0083 739 GLY 47 H -0.0040 -0.0002 -0.0101 740 GLY 47 HA2 -0.0028 -0.0004 -0.0101 741 GLY 47 HA3 -0.0042 -0.0001 -0.0084 742 PRO 48 N -0.0025 -0.0003 -0.0064 743 PRO 48 CA -0.0012 -0.0004 -0.0051 744 PRO 48 C 0.0000 -0.0006 -0.0057 745 PRO 48 O 0.0009 -0.0007 -0.0070 746 PRO 48 CB -0.0024 -0.0002 -0.0037 747 PRO 48 CG -0.0040 0.0000 -0.0040 748 PRO 48 CD -0.0042 -0.0000 -0.0059 749 PRO 48 HA -0.0005 -0.0005 -0.0046 750 PRO 48 HB2 -0.0026 -0.0002 -0.0040 751 PRO 48 HB3 -0.0018 -0.0002 -0.0025 752 PRO 48 HG2 -0.0051 0.0002 -0.0034 753 PRO 48 HG3 -0.0039 0.0000 -0.0034 754 PRO 48 HD2 -0.0048 0.0001 -0.0064 755 PRO 48 HD3 -0.0050 0.0001 -0.0062 756 ALA 49 N -0.0011 0.0005 -0.0051 757 ALA 49 CA -0.0004 0.0005 -0.0053 758 ALA 49 C -0.0003 0.0007 -0.0068 759 ALA 49 O 0.0008 0.0006 -0.0073 760 ALA 49 CB -0.0011 0.0004 -0.0043 761 ALA 49 H -0.0018 0.0005 -0.0043 762 ALA 49 HA 0.0007 0.0002 -0.0049 763 ALA 49 HB1 -0.0003 0.0002 -0.0037 764 ALA 49 HB2 -0.0016 0.0006 -0.0049 765 ALA 49 HB3 -0.0019 0.0004 -0.0036 766 SER 50 N -0.0014 0.0010 -0.0077 767 SER 50 CA -0.0014 0.0013 -0.0091 768 SER 50 C -0.0002 0.0013 -0.0100 769 SER 50 O 0.0007 0.0012 -0.0107 770 SER 50 CB -0.0028 0.0016 -0.0098 771 SER 50 OG -0.0037 0.0017 -0.0097 772 SER 50 H -0.0022 0.0011 -0.0073 773 SER 50 HA -0.0012 0.0013 -0.0091 774 SER 50 HB2 -0.0034 0.0016 -0.0093 775 SER 50 HB3 -0.0027 0.0018 -0.0109 776 SER 50 HG -0.0032 0.0016 -0.0097 777 GLU 51 N -0.0002 0.0013 -0.0101 778 GLU 51 CA 0.0009 0.0013 -0.0109 779 GLU 51 C 0.0024 0.0009 -0.0103 780 GLU 51 O 0.0035 0.0009 -0.0111 781 GLU 51 CB 0.0005 0.0013 -0.0109 782 GLU 51 CG -0.0009 0.0016 -0.0116 783 GLU 51 CD -0.0008 0.0019 -0.0132 784 GLU 51 OE1 -0.0009 0.0021 -0.0139 785 GLU 51 OE2 -0.0005 0.0020 -0.0138 786 GLU 51 H -0.0009 0.0013 -0.0095 787 GLU 51 HA 0.0009 0.0015 -0.0120 788 GLU 51 HB2 0.0005 0.0011 -0.0098 789 GLU 51 HB3 0.0014 0.0013 -0.0115 790 GLU 51 HG2 -0.0017 0.0017 -0.0113 791 GLU 51 HG3 -0.0013 0.0016 -0.0112 792 ALA 52 N 0.0024 0.0007 -0.0089 793 ALA 52 CA 0.0037 0.0004 -0.0082 794 ALA 52 C 0.0044 0.0004 -0.0088 795 ALA 52 O 0.0058 0.0002 -0.0088 796 ALA 52 CB 0.0035 0.0001 -0.0066 797 ALA 52 H 0.0015 0.0007 -0.0084 798 ALA 52 HA 0.0045 0.0003 -0.0084 799 ALA 52 HB1 0.0032 0.0001 -0.0063 800 ALA 52 HB2 0.0026 0.0002 -0.0063 801 ALA 52 HB3 0.0044 -0.0001 -0.0060 802 GLY 53 N 0.0035 0.0006 -0.0093 803 GLY 53 CA 0.0041 0.0006 -0.0099 804 GLY 53 C 0.0033 0.0006 -0.0093 805 GLY 53 O 0.0036 0.0007 -0.0098 806 GLY 53 H 0.0025 0.0007 -0.0093 807 GLY 53 HA2 0.0040 0.0008 -0.0111 808 GLY 53 HA3 0.0052 0.0004 -0.0097 809 LEU 54 N 0.0023 0.0006 -0.0083 810 LEU 54 CA 0.0015 0.0006 -0.0076 811 LEU 54 C 0.0004 0.0009 -0.0086 812 LEU 54 O -0.0006 0.0012 -0.0090 813 LEU 54 CB 0.0007 0.0005 -0.0062 814 LEU 54 CG 0.0006 0.0003 -0.0051 815 LEU 54 CD1 -0.0001 0.0002 -0.0037 816 LEU 54 CD2 -0.0004 0.0005 -0.0057 817 LEU 54 H 0.0021 0.0006 -0.0079 818 LEU 54 HA 0.0023 0.0004 -0.0074 819 LEU 54 HB2 0.0013 0.0003 -0.0057 820 LEU 54 HB3 -0.0003 0.0007 -0.0065 821 LEU 54 HG 0.0016 0.0001 -0.0049 822 LEU 54 HD11 0.0006 -0.0000 -0.0032 823 LEU 54 HD12 -0.0004 0.0001 -0.0030 824 LEU 54 HD13 -0.0011 0.0003 -0.0040 825 LEU 54 HD21 -0.0015 0.0007 -0.0057 826 LEU 54 HD22 -0.0003 0.0004 -0.0050 827 LEU 54 HD23 0.0000 0.0007 -0.0067 828 ARG 55 N 0.0002 0.0012 -0.0037 829 ARG 55 CA 0.0000 0.0013 -0.0038 830 ARG 55 C -0.0001 0.0013 -0.0036 831 ARG 55 O -0.0001 0.0012 -0.0034 832 ARG 55 CB 0.0001 0.0012 -0.0039 833 ARG 55 CG 0.0003 0.0011 -0.0037 834 ARG 55 CD 0.0002 0.0012 -0.0037 835 ARG 55 NE 0.0001 0.0012 -0.0039 836 ARG 55 CZ 0.0001 0.0012 -0.0039 837 ARG 55 NH1 0.0001 0.0012 -0.0037 838 ARG 55 NH2 0.0000 0.0013 -0.0040 839 ARG 55 H 0.0003 0.0011 -0.0036 840 ARG 55 HA -0.0000 0.0013 -0.0039 841 ARG 55 HB2 0.0000 0.0013 -0.0039 842 ARG 55 HB3 0.0002 0.0012 -0.0040 843 ARG 55 HG2 0.0004 0.0011 -0.0038 844 ARG 55 HG3 0.0003 0.0011 -0.0036 845 ARG 55 HD2 0.0003 0.0011 -0.0036 846 ARG 55 HD3 0.0000 0.0012 -0.0036 847 ARG 55 HE 0.0001 0.0013 -0.0040 848 ARG 55 HH11 0.0002 0.0011 -0.0036 849 ARG 55 HH12 0.0001 0.0012 -0.0037 850 ARG 55 HH21 0.0000 0.0014 -0.0042 851 ARG 55 HH22 0.0000 0.0013 -0.0040 852 GLN 56 N -0.0003 0.0014 -0.0036 853 GLN 56 CA -0.0005 0.0014 -0.0035 854 GLN 56 C -0.0005 0.0014 -0.0034 855 GLN 56 O -0.0005 0.0014 -0.0036 856 GLN 56 CB -0.0007 0.0015 -0.0036 857 GLN 56 CG -0.0009 0.0016 -0.0034 858 GLN 56 CD -0.0011 0.0017 -0.0035 859 GLN 56 OE1 -0.0010 0.0017 -0.0036 860 GLN 56 NE2 -0.0013 0.0018 -0.0035 861 GLN 56 H -0.0004 0.0014 -0.0038 862 GLN 56 HA -0.0005 0.0014 -0.0033 863 GLN 56 HB2 -0.0007 0.0016 -0.0036 864 GLN 56 HB3 -0.0007 0.0016 -0.0037 865 GLN 56 HG2 -0.0009 0.0016 -0.0034 866 GLN 56 HG3 -0.0009 0.0015 -0.0033 867 GLN 56 HE21 -0.0013 0.0018 -0.0034 868 GLN 56 HE22 -0.0014 0.0018 -0.0035 869 GLY 57 N -0.0006 0.0014 -0.0032 870 GLY 57 CA -0.0006 0.0014 -0.0032 871 GLY 57 C -0.0004 0.0013 -0.0031 872 GLY 57 O -0.0004 0.0012 -0.0030 873 GLY 57 H -0.0006 0.0014 -0.0031 874 GLY 57 HA2 -0.0007 0.0014 -0.0030 875 GLY 57 HA3 -0.0006 0.0014 -0.0033 876 ASP 58 N -0.0003 0.0012 -0.0030 877 ASP 58 CA -0.0001 0.0011 -0.0029 878 ASP 58 C -0.0001 0.0010 -0.0027 879 ASP 58 O -0.0002 0.0011 -0.0026 880 ASP 58 CB 0.0001 0.0010 -0.0030 881 ASP 58 CG 0.0003 0.0009 -0.0031 882 ASP 58 OD1 0.0004 0.0009 -0.0029 883 ASP 58 OD2 0.0004 0.0009 -0.0032 884 ASP 58 H -0.0003 0.0012 -0.0030 885 ASP 58 HA -0.0000 0.0011 -0.0030 886 ASP 58 HB2 0.0001 0.0011 -0.0032 887 ASP 58 HB3 0.0001 0.0010 -0.0029 888 LEU 59 N 0.0000 0.0009 -0.0026 889 LEU 59 CA 0.0000 0.0009 -0.0024 890 LEU 59 C 0.0002 0.0008 -0.0023 891 LEU 59 O 0.0004 0.0007 -0.0024 892 LEU 59 CB 0.0001 0.0008 -0.0023 893 LEU 59 CG 0.0001 0.0008 -0.0020 894 LEU 59 CD1 -0.0001 0.0008 -0.0019 895 LEU 59 CD2 0.0002 0.0007 -0.0020 896 LEU 59 H 0.0001 0.0009 -0.0027 897 LEU 59 HA -0.0001 0.0009 -0.0023 898 LEU 59 HB2 -0.0001 0.0009 -0.0023 899 LEU 59 HB3 0.0002 0.0008 -0.0024 900 LEU 59 HG 0.0002 0.0007 -0.0020 901 LEU 59 HD11 -0.0001 0.0008 -0.0019 902 LEU 59 HD12 -0.0000 0.0007 -0.0017 903 LEU 59 HD13 -0.0002 0.0009 -0.0019 904 LEU 59 HD21 0.0004 0.0006 -0.0021 905 LEU 59 HD22 0.0002 0.0007 -0.0021 906 LEU 59 HD23 0.0003 0.0006 -0.0018 907 ILE 60 N 0.0002 0.0008 -0.0021 908 ILE 60 CA 0.0003 0.0007 -0.0021 909 ILE 60 C 0.0004 0.0006 -0.0019 910 ILE 60 O 0.0003 0.0006 -0.0017 911 ILE 60 CB 0.0002 0.0007 -0.0020 912 ILE 60 CG1 0.0001 0.0008 -0.0022 913 ILE 60 CG2 0.0004 0.0006 -0.0019 914 ILE 60 CD1 -0.0001 0.0009 -0.0022 915 ILE 60 H 0.0000 0.0008 -0.0021 916 ILE 60 HA 0.0004 0.0007 -0.0022 917 ILE 60 HB 0.0001 0.0007 -0.0018 918 ILE 60 HG12 0.0001 0.0008 -0.0021 919 ILE 60 HG13 0.0002 0.0008 -0.0023 920 ILE 60 HG21 0.0003 0.0006 -0.0018 921 ILE 60 HG22 0.0005 0.0006 -0.0020 922 ILE 60 HG23 0.0004 0.0005 -0.0017 923 ILE 60 HD11 -0.0002 0.0009 -0.0021 924 ILE 60 HD12 -0.0001 0.0009 -0.0023 925 ILE 60 HD13 -0.0001 0.0010 -0.0023 926 THR 61 N -0.0001 0.0027 -0.0035 927 THR 61 CA -0.0001 0.0028 -0.0036 928 THR 61 C 0.0004 0.0024 -0.0028 929 THR 61 O 0.0002 0.0020 -0.0028 930 THR 61 CB 0.0002 0.0039 -0.0040 931 THR 61 OG1 0.0010 0.0043 -0.0035 932 THR 61 CG2 -0.0003 0.0043 -0.0047 933 THR 61 H 0.0004 0.0031 -0.0033 934 THR 61 HA -0.0007 0.0025 -0.0040 935 THR 61 HB 0.0001 0.0039 -0.0041 936 THR 61 HG1 0.0013 0.0043 -0.0032 937 THR 61 HG21 -0.0002 0.0044 -0.0046 938 THR 61 HG22 -0.0009 0.0039 -0.0051 939 THR 61 HG23 -0.0002 0.0050 -0.0051 940 HIS 62 N 0.0011 0.0025 -0.0022 941 HIS 62 CA 0.0016 0.0021 -0.0015 942 HIS 62 C 0.0020 0.0017 -0.0008 943 HIS 62 O 0.0020 0.0019 -0.0010 944 HIS 62 CB 0.0023 0.0028 -0.0013 945 HIS 62 CG 0.0020 0.0033 -0.0019 946 HIS 62 ND1 0.0020 0.0042 -0.0025 947 HIS 62 CD2 0.0018 0.0031 -0.0019 948 HIS 62 CE1 0.0017 0.0044 -0.0029 949 HIS 62 NE2 0.0016 0.0038 -0.0026 950 HIS 62 H 0.0012 0.0028 -0.0023 951 HIS 62 HA 0.0013 0.0015 -0.0014 952 HIS 62 HB2 0.0027 0.0033 -0.0013 953 HIS 62 HB3 0.0027 0.0025 -0.0008 954 HIS 62 HD2 0.0018 0.0025 -0.0015 955 HIS 62 HE1 0.0016 0.0050 -0.0034 956 HIS 62 HE2 0.0013 0.0038 -0.0028 957 VAL 63 N 0.0023 0.0011 -0.0001 958 VAL 63 CA 0.0028 0.0007 0.0005 959 VAL 63 C 0.0035 0.0007 0.0012 960 VAL 63 O 0.0034 0.0002 0.0015 961 VAL 63 CB 0.0022 -0.0002 0.0006 962 VAL 63 CG1 0.0019 -0.0009 0.0008 963 VAL 63 CG2 0.0026 -0.0006 0.0012 964 VAL 63 H 0.0023 0.0010 -0.0001 965 VAL 63 HA 0.0030 0.0012 0.0004 966 VAL 63 HB 0.0017 -0.0001 0.0001 967 VAL 63 HG11 0.0014 -0.0016 0.0008 968 VAL 63 HG12 0.0024 -0.0010 0.0013 969 VAL 63 HG13 0.0016 -0.0006 0.0003 970 VAL 63 HG21 0.0032 -0.0004 0.0017 971 VAL 63 HG22 0.0023 -0.0013 0.0015 972 VAL 63 HG23 0.0026 -0.0003 0.0010 973 ASN 64 N 0.0042 0.0012 0.0016 974 ASN 64 CA 0.0050 0.0012 0.0023 975 ASN 64 C 0.0051 0.0015 0.0022 976 ASN 64 O 0.0055 0.0013 0.0028 977 ASN 64 CB 0.0050 0.0002 0.0030 978 ASN 64 CG 0.0057 0.0002 0.0036 979 ASN 64 OD1 0.0059 0.0008 0.0035 980 ASN 64 ND2 0.0060 -0.0004 0.0043 981 ASN 64 H 0.0042 0.0016 0.0013 982 ASN 64 HA 0.0054 0.0016 0.0024 983 ASN 64 HB2 0.0044 -0.0003 0.0027 984 ASN 64 HB3 0.0051 -0.0000 0.0032 985 ASN 64 HD21 0.0058 -0.0008 0.0044 986 ASN 64 HD22 0.0064 -0.0004 0.0047 987 GLY 65 N 0.0047 0.0020 0.0015 988 GLY 65 CA 0.0047 0.0023 0.0013 989 GLY 65 C 0.0042 0.0016 0.0013 990 GLY 65 O 0.0044 0.0014 0.0016 991 GLY 65 H 0.0044 0.0022 0.0011 992 GLY 65 HA2 0.0046 0.0029 0.0008 993 GLY 65 HA3 0.0053 0.0025 0.0018 994 GLU 66 N 0.0034 0.0011 0.0009 995 GLU 66 CA 0.0028 0.0004 0.0008 996 GLU 66 C 0.0020 0.0004 0.0000 997 GLU 66 O 0.0018 0.0002 -0.0001 998 GLU 66 CB 0.0029 -0.0005 0.0014 999 GLU 66 CG 0.0027 -0.0012 0.0017 1000 GLU 66 CD 0.0031 -0.0008 0.0018 1001 GLU 66 OE1 0.0038 -0.0008 0.0025 1002 GLU 66 OE2 0.0028 -0.0004 0.0013 1003 GLU 66 H 0.0033 0.0013 0.0007 1004 GLU 66 HA 0.0029 0.0006 0.0007 1005 GLU 66 HB2 0.0035 -0.0004 0.0019 1006 GLU 66 HB3 0.0025 -0.0008 0.0013 1007 GLU 66 HG2 0.0028 -0.0018 0.0022 1008 GLU 66 HG3 0.0020 -0.0014 0.0012 1009 PRO 67 N 0.0002 0.0006 -0.0009 1010 PRO 67 CA -0.0001 0.0007 -0.0010 1011 PRO 67 C -0.0002 0.0004 -0.0010 1012 PRO 67 O -0.0002 0.0001 -0.0010 1013 PRO 67 CB -0.0003 0.0007 -0.0011 1014 PRO 67 CG -0.0001 0.0006 -0.0010 1015 PRO 67 CD 0.0002 0.0007 -0.0009 1016 PRO 67 HA -0.0001 0.0010 -0.0011 1017 PRO 67 HB2 -0.0005 0.0005 -0.0012 1018 PRO 67 HB3 -0.0004 0.0009 -0.0012 1019 PRO 67 HG2 -0.0002 0.0003 -0.0010 1020 PRO 67 HG3 -0.0002 0.0007 -0.0011 1021 PRO 67 HD2 0.0003 0.0005 -0.0008 1022 PRO 67 HD3 0.0003 0.0009 -0.0009 1023 VAL 68 N -0.0003 0.0006 -0.0011 1024 VAL 68 CA -0.0004 0.0004 -0.0011 1025 VAL 68 C -0.0007 0.0003 -0.0012 1026 VAL 68 O -0.0009 0.0001 -0.0013 1027 VAL 68 CB -0.0003 0.0006 -0.0011 1028 VAL 68 CG1 0.0001 0.0006 -0.0009 1029 VAL 68 CG2 -0.0005 0.0009 -0.0012 1030 VAL 68 H -0.0003 0.0008 -0.0011 1031 VAL 68 HA -0.0003 0.0001 -0.0010 1032 VAL 68 HB -0.0004 0.0004 -0.0011 1033 VAL 68 HG11 0.0002 0.0004 -0.0008 1034 VAL 68 HG12 0.0001 0.0008 -0.0010 1035 VAL 68 HG13 0.0001 0.0008 -0.0009 1036 VAL 68 HG21 -0.0007 0.0008 -0.0013 1037 VAL 68 HG22 -0.0004 0.0011 -0.0012 1038 VAL 68 HG23 -0.0004 0.0010 -0.0012 1039 HIS 69 N -0.0009 0.0005 -0.0013 1040 HIS 69 CA -0.0012 0.0005 -0.0015 1041 HIS 69 C -0.0013 0.0001 -0.0015 1042 HIS 69 O -0.0013 -0.0000 -0.0014 1043 HIS 69 CB -0.0013 0.0007 -0.0016 1044 HIS 69 CG -0.0013 0.0011 -0.0016 1045 HIS 69 ND1 -0.0015 0.0013 -0.0018 1046 HIS 69 CD2 -0.0012 0.0012 -0.0016 1047 HIS 69 CE1 -0.0014 0.0016 -0.0018 1048 HIS 69 NE2 -0.0013 0.0016 -0.0017 1049 HIS 69 H -0.0007 0.0006 -0.0013 1050 HIS 69 HA -0.0013 0.0005 -0.0016 1051 HIS 69 HB2 -0.0011 0.0007 -0.0015 1052 HIS 69 HB3 -0.0015 0.0006 -0.0016 1053 HIS 69 HD2 -0.0010 0.0011 -0.0015 1054 HIS 69 HE1 -0.0016 0.0018 -0.0019 1055 HIS 69 HE2 -0.0012 0.0017 -0.0017 1056 GLY 70 N -0.0015 -0.0001 -0.0015 1057 GLY 70 CA -0.0016 -0.0005 -0.0015 1058 GLY 70 C -0.0014 -0.0007 -0.0013 1059 GLY 70 O -0.0015 -0.0010 -0.0013 1060 GLY 70 H -0.0015 -0.0000 -0.0015 1061 GLY 70 HA2 -0.0018 -0.0005 -0.0016 1062 GLY 70 HA3 -0.0015 -0.0005 -0.0014 1063 LEU 71 N -0.0011 -0.0006 -0.0012 1064 LEU 71 CA -0.0009 -0.0008 -0.0011 1065 LEU 71 C -0.0011 -0.0009 -0.0011 1066 LEU 71 O -0.0012 -0.0007 -0.0013 1067 LEU 71 CB -0.0006 -0.0007 -0.0010 1068 LEU 71 CG -0.0004 -0.0006 -0.0009 1069 LEU 71 CD1 -0.0000 -0.0005 -0.0008 1070 LEU 71 CD2 -0.0004 -0.0009 -0.0008 1071 LEU 71 H -0.0010 -0.0004 -0.0012 1072 LEU 71 HA -0.0009 -0.0011 -0.0010 1073 LEU 71 HB2 -0.0006 -0.0004 -0.0010 1074 LEU 71 HB3 -0.0004 -0.0008 -0.0009 1075 LEU 71 HG -0.0005 -0.0004 -0.0010 1076 LEU 71 HD11 0.0001 -0.0004 -0.0007 1077 LEU 71 HD12 0.0001 -0.0007 -0.0007 1078 LEU 71 HD13 -0.0000 -0.0002 -0.0008 1079 LEU 71 HD21 -0.0006 -0.0010 -0.0009 1080 LEU 71 HD22 -0.0003 -0.0011 -0.0008 1081 LEU 71 HD23 -0.0002 -0.0009 -0.0008 1082 VAL 72 N -0.0010 -0.0012 -0.0011 1083 VAL 72 CA -0.0012 -0.0013 -0.0011 1084 VAL 72 C -0.0010 -0.0012 -0.0010 1085 VAL 72 O -0.0007 -0.0011 -0.0010 1086 VAL 72 CB -0.0012 -0.0017 -0.0011 1087 VAL 72 CG1 -0.0010 -0.0019 -0.0009 1088 VAL 72 CG2 -0.0016 -0.0018 -0.0012 1089 VAL 72 H -0.0009 -0.0014 -0.0010 1090 VAL 72 HA -0.0014 -0.0012 -0.0012 1091 VAL 72 HB -0.0013 -0.0018 -0.0011 1092 VAL 72 HG11 -0.0010 -0.0018 -0.0009 1093 VAL 72 HG12 -0.0007 -0.0018 -0.0008 1094 VAL 72 HG13 -0.0010 -0.0022 -0.0009 1095 VAL 72 HG21 -0.0017 -0.0017 -0.0013 1096 VAL 72 HG22 -0.0015 -0.0018 -0.0012 1097 VAL 72 HG23 -0.0016 -0.0021 -0.0012 1098 HIS 73 N -0.0015 -0.0015 0.0003 1099 HIS 73 CA -0.0015 -0.0015 0.0003 1100 HIS 73 C -0.0014 -0.0015 0.0006 1101 HIS 73 O -0.0012 -0.0014 0.0005 1102 HIS 73 CB -0.0019 -0.0017 0.0002 1103 HIS 73 CG -0.0020 -0.0017 0.0000 1104 HIS 73 ND1 -0.0022 -0.0017 -0.0002 1105 HIS 73 CD2 -0.0019 -0.0017 0.0001 1106 HIS 73 CE1 -0.0023 -0.0017 -0.0003 1107 HIS 73 NE2 -0.0021 -0.0017 -0.0001 1108 HIS 73 H -0.0017 -0.0016 0.0002 1109 HIS 73 HA -0.0015 -0.0013 0.0001 1110 HIS 73 HB2 -0.0020 -0.0018 0.0001 1111 HIS 73 HB3 -0.0019 -0.0019 0.0005 1112 HIS 73 HD1 -0.0023 -0.0018 -0.0004 1113 HIS 73 HD2 -0.0017 -0.0017 0.0003 1114 HIS 73 HE1 -0.0025 -0.0017 -0.0005 1115 THR 74 N -0.0014 -0.0017 0.0008 1116 THR 74 CA -0.0012 -0.0018 0.0011 1117 THR 74 C -0.0009 -0.0016 0.0013 1118 THR 74 O -0.0007 -0.0016 0.0015 1119 THR 74 CB -0.0014 -0.0020 0.0014 1120 THR 74 OG1 -0.0013 -0.0021 0.0015 1121 THR 74 CG2 -0.0017 -0.0022 0.0012 1122 THR 74 H -0.0015 -0.0018 0.0009 1123 THR 74 HA -0.0012 -0.0017 0.0011 1124 THR 74 HB -0.0013 -0.0021 0.0016 1125 THR 74 HG1 -0.0015 -0.0022 0.0016 1126 THR 74 HG21 -0.0018 -0.0022 0.0012 1127 THR 74 HG22 -0.0018 -0.0024 0.0014 1128 THR 74 HG23 -0.0018 -0.0021 0.0010 1129 GLU 75 N -0.0008 -0.0015 0.0012 1130 GLU 75 CA -0.0005 -0.0013 0.0013 1131 GLU 75 C -0.0003 -0.0011 0.0012 1132 GLU 75 O -0.0000 -0.0010 0.0014 1133 GLU 75 CB -0.0005 -0.0012 0.0012 1134 GLU 75 CG -0.0005 -0.0014 0.0014 1135 GLU 75 CD -0.0005 -0.0013 0.0013 1136 GLU 75 OE1 -0.0006 -0.0013 0.0011 1137 GLU 75 OE2 -0.0002 -0.0012 0.0015 1138 GLU 75 H -0.0009 -0.0015 0.0010 1139 GLU 75 HA -0.0004 -0.0014 0.0016 1140 GLU 75 HB2 -0.0006 -0.0012 0.0010 1141 GLU 75 HB3 -0.0003 -0.0010 0.0012 1142 GLU 75 HG2 -0.0004 -0.0014 0.0017 1143 GLU 75 HG3 -0.0008 -0.0016 0.0014 1144 VAL 76 N -0.0004 -0.0010 0.0009 1145 VAL 76 CA -0.0002 -0.0007 0.0008 1146 VAL 76 C -0.0001 -0.0008 0.0009 1147 VAL 76 O 0.0001 -0.0007 0.0010 1148 VAL 76 CB -0.0003 -0.0006 0.0004 1149 VAL 76 CG1 -0.0003 -0.0005 0.0002 1150 VAL 76 CG2 -0.0006 -0.0008 0.0003 1151 VAL 76 H -0.0006 -0.0010 0.0007 1152 VAL 76 HA 0.0000 -0.0006 0.0008 1153 VAL 76 HB -0.0002 -0.0005 0.0003 1154 VAL 76 HG11 -0.0000 -0.0004 0.0003 1155 VAL 76 HG12 -0.0003 -0.0004 -0.0000 1156 VAL 76 HG13 -0.0004 -0.0006 0.0003 1157 VAL 76 HG21 -0.0007 -0.0010 0.0005 1158 VAL 76 HG22 -0.0008 -0.0008 0.0001 1159 VAL 76 HG23 -0.0007 -0.0008 0.0003 1160 VAL 77 N -0.0004 -0.0010 0.0010 1161 VAL 77 CA -0.0004 -0.0011 0.0011 1162 VAL 77 C -0.0002 -0.0012 0.0015 1163 VAL 77 O -0.0000 -0.0011 0.0016 1164 VAL 77 CB -0.0007 -0.0014 0.0012 1165 VAL 77 CG1 -0.0007 -0.0015 0.0014 1166 VAL 77 CG2 -0.0009 -0.0013 0.0008 1167 VAL 77 H -0.0006 -0.0011 0.0009 1168 VAL 77 HA -0.0003 -0.0010 0.0010 1169 VAL 77 HB -0.0008 -0.0015 0.0013 1170 VAL 77 HG11 -0.0005 -0.0014 0.0014 1171 VAL 77 HG12 -0.0007 -0.0016 0.0016 1172 VAL 77 HG13 -0.0009 -0.0016 0.0013 1173 VAL 77 HG21 -0.0011 -0.0015 0.0008 1174 VAL 77 HG22 -0.0009 -0.0012 0.0007 1175 VAL 77 HG23 -0.0009 -0.0013 0.0007 1176 GLU 78 N -0.0002 -0.0013 0.0017 1177 GLU 78 CA -0.0000 -0.0013 0.0020 1178 GLU 78 C 0.0003 -0.0011 0.0020 1179 GLU 78 O 0.0005 -0.0011 0.0022 1180 GLU 78 CB -0.0001 -0.0015 0.0021 1181 GLU 78 CG -0.0004 -0.0017 0.0023 1182 GLU 78 CD -0.0004 -0.0019 0.0025 1183 GLU 78 OE1 -0.0002 -0.0019 0.0028 1184 GLU 78 OE2 -0.0005 -0.0020 0.0025 1185 GLU 78 H -0.0004 -0.0013 0.0016 1186 GLU 78 HA -0.0001 -0.0014 0.0021 1187 GLU 78 HB2 -0.0002 -0.0014 0.0019 1188 GLU 78 HB3 0.0001 -0.0014 0.0023 1189 GLU 78 HG2 -0.0004 -0.0018 0.0023 1190 GLU 78 HG3 -0.0006 -0.0018 0.0021 1191 LEU 79 N 0.0007 -0.0023 0.0038 1192 LEU 79 CA 0.0016 -0.0015 0.0038 1193 LEU 79 C 0.0020 -0.0012 0.0038 1194 LEU 79 O 0.0028 -0.0008 0.0043 1195 LEU 79 CB 0.0016 -0.0010 0.0028 1196 LEU 79 CG 0.0022 -0.0005 0.0029 1197 LEU 79 CD1 0.0031 -0.0000 0.0035 1198 LEU 79 CD2 0.0019 -0.0010 0.0034 1199 LEU 79 H 0.0002 -0.0025 0.0033 1200 LEU 79 HA 0.0020 -0.0016 0.0044 1201 LEU 79 HB2 0.0009 -0.0013 0.0024 1202 LEU 79 HB3 0.0017 -0.0006 0.0023 1203 LEU 79 HG 0.0022 -0.0001 0.0022 1204 LEU 79 HD11 0.0033 0.0003 0.0032 1205 LEU 79 HD12 0.0036 0.0003 0.0036 1206 LEU 79 HD13 0.0032 -0.0005 0.0043 1207 LEU 79 HD21 0.0023 -0.0007 0.0034 1208 LEU 79 HD22 0.0012 -0.0014 0.0029 1209 LEU 79 HD23 0.0019 -0.0015 0.0041 1210 ILE 80 N 0.0015 -0.0014 0.0033 1211 ILE 80 CA 0.0017 -0.0011 0.0033 1212 ILE 80 C 0.0019 -0.0016 0.0043 1213 ILE 80 O 0.0026 -0.0012 0.0047 1214 ILE 80 CB 0.0011 -0.0012 0.0024 1215 ILE 80 CG1 0.0012 -0.0006 0.0014 1216 ILE 80 CG2 0.0012 -0.0012 0.0025 1217 ILE 80 CD1 0.0003 -0.0008 0.0005 1218 ILE 80 H 0.0008 -0.0017 0.0029 1219 ILE 80 HA 0.0024 -0.0005 0.0031 1220 ILE 80 HB 0.0004 -0.0018 0.0024 1221 ILE 80 HG12 0.0016 -0.0001 0.0012 1222 ILE 80 HG13 0.0014 -0.0004 0.0014 1223 ILE 80 HG21 0.0019 -0.0008 0.0028 1224 ILE 80 HG22 0.0009 -0.0018 0.0031 1225 ILE 80 HG23 0.0009 -0.0011 0.0018 1226 ILE 80 HD11 0.0004 -0.0003 -0.0002 1227 ILE 80 HD12 0.0001 -0.0009 0.0004 1228 ILE 80 HD13 -0.0002 -0.0013 0.0007 1229 LEU 81 N 0.0012 -0.0024 0.0047 1230 LEU 81 CA 0.0013 -0.0029 0.0056 1231 LEU 81 C 0.0020 -0.0027 0.0065 1232 LEU 81 O 0.0025 -0.0027 0.0072 1233 LEU 81 CB 0.0004 -0.0037 0.0059 1234 LEU 81 CG -0.0004 -0.0040 0.0050 1235 LEU 81 CD1 -0.0012 -0.0049 0.0053 1236 LEU 81 CD2 -0.0005 -0.0039 0.0049 1237 LEU 81 H 0.0007 -0.0026 0.0043 1238 LEU 81 HA 0.0013 -0.0028 0.0056 1239 LEU 81 HB2 0.0004 -0.0039 0.0061 1240 LEU 81 HB3 0.0004 -0.0041 0.0066 1241 LEU 81 HG -0.0004 -0.0036 0.0044 1242 LEU 81 HD11 -0.0012 -0.0049 0.0055 1243 LEU 81 HD12 -0.0018 -0.0050 0.0047 1244 LEU 81 HD13 -0.0012 -0.0053 0.0060 1245 LEU 81 HD21 0.0000 -0.0033 0.0045 1246 LEU 81 HD22 -0.0004 -0.0043 0.0056 1247 LEU 81 HD23 -0.0011 -0.0042 0.0043 1248 LYS 82 N 0.0022 -0.0025 0.0064 1249 LYS 82 CA 0.0029 -0.0023 0.0071 1250 LYS 82 C 0.0038 -0.0015 0.0072 1251 LYS 82 O 0.0044 -0.0015 0.0080 1252 LYS 82 CB 0.0029 -0.0021 0.0068 1253 LYS 82 CG 0.0034 -0.0021 0.0076 1254 LYS 82 CD 0.0037 -0.0016 0.0072 1255 LYS 82 CE 0.0029 -0.0021 0.0067 1256 LYS 82 NZ 0.0031 -0.0018 0.0067 1257 LYS 82 H 0.0018 -0.0025 0.0058 1258 LYS 82 HA 0.0028 -0.0027 0.0078 1259 LYS 82 HB2 0.0023 -0.0025 0.0065 1260 LYS 82 HB3 0.0032 -0.0015 0.0062 1261 LYS 82 HG2 0.0040 -0.0018 0.0081 1262 LYS 82 HG3 0.0031 -0.0027 0.0081 1263 LYS 82 HD2 0.0040 -0.0011 0.0066 1264 LYS 82 HD3 0.0042 -0.0016 0.0078 1265 LYS 82 HE2 0.0025 -0.0027 0.0072 1266 LYS 82 HE3 0.0025 -0.0020 0.0060 1267 LYS 82 HZ1 0.0035 -0.0019 0.0074 1268 LYS 82 HZ2 0.0035 -0.0012 0.0062 1269 LYS 82 HZ3 0.0026 -0.0021 0.0064 1270 SER 83 N 0.0039 -0.0010 0.0063 1271 SER 83 CA 0.0047 -0.0002 0.0063 1272 SER 83 C 0.0050 -0.0004 0.0070 1273 SER 83 O 0.0058 0.0001 0.0074 1274 SER 83 CB 0.0046 0.0003 0.0052 1275 SER 83 OG 0.0054 0.0010 0.0051 1276 SER 83 H 0.0034 -0.0010 0.0057 1277 SER 83 HA 0.0052 0.0001 0.0065 1278 SER 83 HB2 0.0044 0.0004 0.0047 1279 SER 83 HB3 0.0041 -0.0000 0.0049 1280 SER 83 HG 0.0053 0.0010 0.0050 1281 GLY 84 N 0.0044 -0.0010 0.0071 1282 GLY 84 CA 0.0046 -0.0012 0.0077 1283 GLY 84 C 0.0041 -0.0012 0.0072 1284 GLY 84 O 0.0034 -0.0017 0.0067 1285 GLY 84 H 0.0037 -0.0013 0.0067 1286 GLY 84 HA2 0.0043 -0.0017 0.0084 1287 GLY 84 HA3 0.0053 -0.0007 0.0080 1288 ASN 85 N 0.0054 -0.0031 0.0079 1289 ASN 85 CA 0.0051 -0.0030 0.0074 1290 ASN 85 C 0.0051 -0.0021 0.0063 1291 ASN 85 O 0.0050 -0.0018 0.0058 1292 ASN 85 CB 0.0057 -0.0029 0.0081 1293 ASN 85 CG 0.0069 -0.0022 0.0084 1294 ASN 85 OD1 0.0072 -0.0016 0.0078 1295 ASN 85 ND2 0.0075 -0.0024 0.0092 1296 ASN 85 H 0.0061 -0.0028 0.0083 1297 ASN 85 HA 0.0043 -0.0035 0.0074 1298 ASN 85 HB2 0.0055 -0.0027 0.0076 1299 ASN 85 HB3 0.0056 -0.0036 0.0088 1300 ASN 85 HD21 0.0071 -0.0029 0.0096 1301 ASN 85 HD22 0.0082 -0.0020 0.0094 1302 LYS 86 N 0.0052 -0.0018 0.0060 1303 LYS 86 CA 0.0052 -0.0010 0.0049 1304 LYS 86 C 0.0050 -0.0009 0.0046 1305 LYS 86 O 0.0049 -0.0015 0.0052 1306 LYS 86 CB 0.0062 -0.0002 0.0049 1307 LYS 86 CG 0.0071 -0.0001 0.0057 1308 LYS 86 CD 0.0081 0.0009 0.0054 1309 LYS 86 CE 0.0090 0.0010 0.0062 1310 LYS 86 NZ 0.0088 0.0009 0.0062 1311 LYS 86 H 0.0052 -0.0021 0.0064 1312 LYS 86 HA 0.0046 -0.0011 0.0044 1313 LYS 86 HB2 0.0062 0.0004 0.0041 1314 LYS 86 HB3 0.0063 -0.0002 0.0050 1315 LYS 86 HG2 0.0073 -0.0005 0.0065 1316 LYS 86 HG3 0.0070 -0.0002 0.0057 1317 LYS 86 HD2 0.0079 0.0013 0.0047 1318 LYS 86 HD3 0.0083 0.0010 0.0055 1319 LYS 86 HE2 0.0097 0.0017 0.0060 1320 LYS 86 HE3 0.0091 0.0006 0.0070 1321 LYS 86 HZ1 0.0085 0.0013 0.0054 1322 LYS 86 HZ2 0.0083 0.0002 0.0065 1323 LYS 86 HZ3 0.0095 0.0011 0.0066 1324 VAL 87 N 0.0049 -0.0003 0.0036 1325 VAL 87 CA 0.0047 -0.0001 0.0032 1326 VAL 87 C 0.0049 0.0007 0.0022 1327 VAL 87 O 0.0047 0.0011 0.0015 1328 VAL 87 CB 0.0036 -0.0009 0.0031 1329 VAL 87 CG1 0.0028 -0.0009 0.0022 1330 VAL 87 CG2 0.0035 -0.0009 0.0029 1331 VAL 87 H 0.0051 0.0001 0.0032 1332 VAL 87 HA 0.0053 -0.0001 0.0038 1333 VAL 87 HB 0.0035 -0.0015 0.0038 1334 VAL 87 HG11 0.0029 -0.0003 0.0015 1335 VAL 87 HG12 0.0029 -0.0009 0.0024 1336 VAL 87 HG13 0.0021 -0.0015 0.0022 1337 VAL 87 HG21 0.0039 -0.0011 0.0036 1338 VAL 87 HG22 0.0037 -0.0002 0.0023 1339 VAL 87 HG23 0.0027 -0.0014 0.0027 1340 ALA 88 N 0.0052 0.0011 0.0020 1341 ALA 88 CA 0.0054 0.0020 0.0010 1342 ALA 88 C 0.0044 0.0018 0.0003 1343 ALA 88 O 0.0043 0.0016 0.0003 1344 ALA 88 CB 0.0063 0.0025 0.0013 1345 ALA 88 H 0.0054 0.0008 0.0026 1346 ALA 88 HA 0.0055 0.0023 0.0007 1347 ALA 88 HB1 0.0070 0.0027 0.0018 1348 ALA 88 HB2 0.0064 0.0031 0.0006 1349 ALA 88 HB3 0.0062 0.0021 0.0017 1350 ILE 89 N 0.0038 0.0018 -0.0004 1351 ILE 89 CA 0.0028 0.0016 -0.0012 1352 ILE 89 C 0.0030 0.0025 -0.0022 1353 ILE 89 O 0.0032 0.0031 -0.0028 1354 ILE 89 CB 0.0019 0.0012 -0.0015 1355 ILE 89 CG1 0.0010 0.0010 -0.0024 1356 ILE 89 CG2 0.0022 0.0017 -0.0019 1357 ILE 89 CD1 0.0000 0.0003 -0.0025 1358 ILE 89 H 0.0039 0.0019 -0.0005 1359 ILE 89 HA 0.0026 0.0012 -0.0009 1360 ILE 89 HB 0.0018 0.0005 -0.0009 1361 ILE 89 HG12 0.0011 0.0017 -0.0031 1362 ILE 89 HG13 0.0009 0.0009 -0.0022 1363 ILE 89 HG21 0.0029 0.0017 -0.0013 1364 ILE 89 HG22 0.0016 0.0013 -0.0021 1365 ILE 89 HG23 0.0024 0.0023 -0.0026 1366 ILE 89 HD11 0.0002 0.0004 -0.0024 1367 ILE 89 HD12 -0.0002 -0.0003 -0.0018 1368 ILE 89 HD13 -0.0006 0.0004 -0.0032 1369 SER 90 N 0.0030 0.0026 -0.0024 1370 SER 90 CA 0.0031 0.0034 -0.0033 1371 SER 90 C 0.0022 0.0033 -0.0042 1372 SER 90 O 0.0014 0.0028 -0.0043 1373 SER 90 CB 0.0036 0.0035 -0.0030 1374 SER 90 OG 0.0044 0.0044 -0.0034 1375 SER 90 H 0.0028 0.0021 -0.0019 1376 SER 90 HA 0.0037 0.0040 -0.0034 1377 SER 90 HB2 0.0039 0.0032 -0.0022 1378 SER 90 HB3 0.0030 0.0033 -0.0034 1379 SER 90 HG 0.0044 0.0046 -0.0035 1380 THR 91 N -0.0007 0.0021 -0.0057 1381 THR 91 CA 0.0004 0.0023 -0.0041 1382 THR 91 C -0.0004 0.0014 -0.0027 1383 THR 91 O -0.0019 0.0005 -0.0027 1384 THR 91 CB 0.0014 0.0027 -0.0035 1385 THR 91 OG1 0.0004 0.0020 -0.0033 1386 THR 91 CG2 0.0025 0.0037 -0.0049 1387 THR 91 H -0.0014 0.0017 -0.0057 1388 THR 91 HA 0.0012 0.0029 -0.0045 1389 THR 91 HB 0.0021 0.0028 -0.0023 1390 THR 91 HG1 0.0007 0.0019 -0.0022 1391 THR 91 HG21 0.0018 0.0036 -0.0061 1392 THR 91 HG22 0.0032 0.0042 -0.0051 1393 THR 91 HG23 0.0032 0.0040 -0.0044 1394 THR 92 N 0.0004 0.0015 -0.0013 1395 THR 92 CA -0.0003 0.0006 0.0001 1396 THR 92 C -0.0002 0.0003 0.0018 1397 THR 92 O 0.0011 0.0007 0.0027 1398 THR 92 CB 0.0003 0.0009 0.0007 1399 THR 92 OG1 -0.0002 0.0001 0.0023 1400 THR 92 CG2 0.0022 0.0019 0.0009 1401 THR 92 H 0.0016 0.0021 -0.0012 1402 THR 92 HA -0.0016 0.0000 -0.0003 1403 THR 92 HB -0.0001 0.0009 -0.0004 1404 THR 92 HG1 0.0004 0.0002 0.0033 1405 THR 92 HG21 0.0026 0.0020 0.0013 1406 THR 92 HG22 0.0026 0.0018 0.0019 1407 THR 92 HG23 0.0026 0.0024 -0.0003 1408 PRO 93 N -0.0015 -0.0006 0.0021 1409 PRO 93 CA -0.0015 -0.0010 0.0037 1410 PRO 93 C -0.0009 -0.0012 0.0054 1411 PRO 93 O -0.0006 -0.0010 0.0055 1412 PRO 93 CB -0.0032 -0.0020 0.0036 1413 PRO 93 CG -0.0039 -0.0019 0.0017 1414 PRO 93 CD -0.0030 -0.0012 0.0009 1415 PRO 93 HA -0.0007 -0.0006 0.0036 1416 PRO 93 HB2 -0.0038 -0.0026 0.0044 1417 PRO 93 HB3 -0.0033 -0.0022 0.0041 1418 PRO 93 HG2 -0.0051 -0.0026 0.0016 1419 PRO 93 HG3 -0.0037 -0.0016 0.0010 1420 PRO 93 HD2 -0.0037 -0.0016 0.0010 1421 PRO 93 HD3 -0.0029 -0.0007 -0.0004 1422 LEU 94 N -0.0008 -0.0015 0.0068 1423 LEU 94 CA -0.0002 -0.0017 0.0086 1424 LEU 94 C -0.0014 -0.0026 0.0091 1425 LEU 94 O -0.0028 -0.0032 0.0083 1426 LEU 94 CB -0.0001 -0.0020 0.0100 1427 LEU 94 CG 0.0000 -0.0018 0.0092 1428 LEU 94 CD1 -0.0016 -0.0026 0.0089 1429 LEU 94 CD2 0.0011 -0.0014 0.0104 1430 LEU 94 H -0.0010 -0.0017 0.0067 1431 LEU 94 HA 0.0009 -0.0011 0.0086 1432 LEU 94 HB2 -0.0011 -0.0028 0.0107 1433 LEU 94 HB3 0.0010 -0.0017 0.0108 1434 LEU 94 HG 0.0004 -0.0011 0.0079 1435 LEU 94 HD11 -0.0022 -0.0026 0.0076 1436 LEU 94 HD12 -0.0016 -0.0027 0.0090 1437 LEU 94 HD13 -0.0023 -0.0033 0.0099 1438 LEU 94 HD21 0.0023 -0.0008 0.0105 1439 LEU 94 HD22 0.0007 -0.0020 0.0117 1440 LEU 94 HD23 0.0012 -0.0013 0.0098 1441 GLU 95 N -0.0009 -0.0027 0.0105 1442 GLU 95 CA -0.0019 -0.0035 0.0111 1443 GLU 95 C -0.0013 -0.0036 0.0130 1444 GLU 95 O 0.0002 -0.0029 0.0136 1445 GLU 95 CB -0.0022 -0.0032 0.0099 1446 GLU 95 CG -0.0007 -0.0024 0.0100 1447 GLU 95 CD 0.0006 -0.0014 0.0090 1448 GLU 95 OE1 0.0005 -0.0010 0.0074 1449 GLU 95 OE2 0.0018 -0.0009 0.0099 1450 GLU 95 H 0.0001 -0.0022 0.0111 1451 GLU 95 HA -0.0031 -0.0041 0.0112 1452 GLU 95 HB2 -0.0032 -0.0039 0.0102 1453 GLU 95 HB3 -0.0024 -0.0030 0.0085 1454 GLU 95 HG2 -0.0003 -0.0025 0.0113 1455 GLU 95 HG3 -0.0011 -0.0025 0.0094 1456 ASN 96 N -0.0023 -0.0044 0.0139 1457 ASN 96 CA -0.0017 -0.0046 0.0157 1458 ASN 96 C -0.0009 -0.0042 0.0157 1459 ASN 96 O -0.0016 -0.0042 0.0146 1460 ASN 96 CB -0.0031 -0.0058 0.0168 1461 ASN 96 CG -0.0045 -0.0063 0.0159 1462 ASN 96 OD1 -0.0046 -0.0064 0.0161 1463 ASN 96 ND2 -0.0057 -0.0067 0.0150 1464 ASN 96 OXT 0.0004 -0.0037 0.0167 1465 ASN 96 H -0.0034 -0.0049 0.0134 1466 ASN 96 HA -0.0009 -0.0043 0.0164 1467 ASN 96 HB2 -0.0027 -0.0059 0.0181 1468 ASN 96 HB3 -0.0035 -0.0061 0.0171 1469 ASN 96 HD21 -0.0055 -0.0066 0.0149 1470 ASN 96 HD22 -0.0066 -0.0071 0.0144 1471 SER 101 N 0.0059 -0.0039 0.0115 1472 SER 101 CA 0.0047 -0.0042 0.0110 1473 SER 101 C 0.0062 -0.0033 0.0105 1474 SER 101 O 0.0080 -0.0030 0.0115 1475 SER 101 CB 0.0036 -0.0055 0.0128 1476 SER 101 OG 0.0026 -0.0062 0.0136 1477 SER 101 H1 0.0067 -0.0030 0.0102 1478 SER 101 H2 0.0049 -0.0044 0.0118 1479 SER 101 H3 0.0071 -0.0040 0.0128 1480 SER 101 HA 0.0035 -0.0040 0.0096 1481 SER 101 HB2 0.0047 -0.0056 0.0141 1482 SER 101 HB3 0.0024 -0.0058 0.0123 1483 SER 101 HG 0.0021 -0.0070 0.0149 1484 TRP 102 N 0.0054 -0.0030 0.0090 1485 TRP 102 CA 0.0066 -0.0022 0.0084 1486 TRP 102 C 0.0084 -0.0008 0.0072 1487 TRP 102 O 0.0099 -0.0006 0.0080 1488 TRP 102 CB 0.0076 -0.0026 0.0104 1489 TRP 102 CG 0.0085 -0.0020 0.0099 1490 TRP 102 CD1 0.0105 -0.0010 0.0095 1491 TRP 102 CD2 0.0074 -0.0025 0.0098 1492 TRP 102 NE1 0.0107 -0.0007 0.0091 1493 TRP 102 CE2 0.0089 -0.0016 0.0093 1494 TRP 102 CE3 0.0054 -0.0035 0.0101 1495 TRP 102 CZ2 0.0083 -0.0017 0.0091 1496 TRP 102 CZ3 0.0049 -0.0036 0.0099 1497 TRP 102 CH2 0.0063 -0.0027 0.0094 1498 TRP 102 H 0.0039 -0.0033 0.0083 1499 TRP 102 HA 0.0055 -0.0022 0.0074 1500 TRP 102 HB2 0.0064 -0.0036 0.0113 1501 TRP 102 HB3 0.0089 -0.0025 0.0113 1502 TRP 102 HD1 0.0117 -0.0004 0.0094 1503 TRP 102 HE1 0.0120 0.0000 0.0088 1504 TRP 102 HE3 0.0042 -0.0041 0.0105 1505 TRP 102 HZ2 0.0095 -0.0011 0.0087 1506 TRP 102 HZ3 0.0033 -0.0044 0.0101 1507 TRP 102 HH2 0.0059 -0.0029 0.0093 1508 GLU 103 N 0.0081 -0.0000 0.0051 1509 GLU 103 CA 0.0097 0.0013 0.0038 1510 GLU 103 C 0.0097 0.0022 0.0019 1511 GLU 103 O 0.0115 0.0031 0.0015 1512 GLU 103 CB 0.0091 0.0014 0.0030 1513 GLU 103 CG 0.0103 0.0027 0.0013 1514 GLU 103 CD 0.0094 0.0033 -0.0009 1515 GLU 103 OE1 0.0074 0.0027 -0.0014 1516 GLU 103 OE2 0.0107 0.0044 -0.0022 1517 GLU 103 H 0.0070 -0.0002 0.0046 1518 GLU 103 HA 0.0112 0.0015 0.0048 1519 GLU 103 HB2 0.0093 0.0009 0.0043 1520 GLU 103 HB3 0.0074 0.0010 0.0023 1521 GLU 103 HG2 0.0120 0.0032 0.0017 1522 GLU 103 HG3 0.0104 0.0027 0.0014 1523 SER 104 N 0.0079 0.0018 0.0008 1524 SER 104 CA 0.0077 0.0026 -0.0011 1525 SER 104 C 0.0081 0.0026 -0.0006 1526 SER 104 O 0.0075 0.0029 -0.0020 1527 SER 104 CB 0.0055 0.0023 -0.0024 1528 SER 104 OG 0.0048 0.0018 -0.0020 1529 SER 104 H 0.0066 0.0011 0.0013 1530 SER 104 HA 0.0089 0.0036 -0.0019 1531 SER 104 HB2 0.0044 0.0017 -0.0020 1532 SER 104 HB3 0.0057 0.0031 -0.0040 1533 SER 104 HG 0.0059 0.0023 -0.0020 1534 HIS 105 N 0.0092 0.0022 0.0013 1535 HIS 105 CA 0.0097 0.0022 0.0018 1536 HIS 105 C 0.0112 0.0035 0.0004 1537 HIS 105 O 0.0112 0.0037 0.0000 1538 HIS 105 CB 0.0106 0.0015 0.0042 1539 HIS 105 CG 0.0127 0.0021 0.0048 1540 HIS 105 ND1 0.0127 0.0020 0.0050 1541 HIS 105 CD2 0.0147 0.0027 0.0054 1542 HIS 105 CE1 0.0147 0.0026 0.0056 1543 HIS 105 NE2 0.0160 0.0030 0.0059 1544 HIS 105 H 0.0098 0.0020 0.0023 1545 HIS 105 HA 0.0082 0.0017 0.0015 1546 HIS 105 HB2 0.0110 0.0015 0.0045 1547 HIS 105 HB3 0.0095 0.0006 0.0051 1548 HIS 105 HD2 0.0152 0.0029 0.0055 1549 HIS 105 HE1 0.0152 0.0027 0.0059 1550 HIS 105 HE2 0.0174 0.0033 0.0067 1551 LYS 106 N 0.0125 0.0044 -0.0003 1552 LYS 106 CA 0.0139 0.0056 -0.0017 1553 LYS 106 C 0.0132 0.0063 -0.0039 1554 LYS 106 O 0.0138 0.0073 -0.0055 1555 LYS 106 CB 0.0162 0.0062 -0.0009 1556 LYS 106 CG 0.0164 0.0056 0.0006 1557 LYS 106 CD 0.0156 0.0058 -0.0006 1558 LYS 106 CE 0.0170 0.0072 -0.0022 1559 LYS 106 NZ 0.0161 0.0073 -0.0033 1560 LYS 106 H 0.0124 0.0041 0.0001 1561 LYS 106 HA 0.0139 0.0057 -0.0018 1562 LYS 106 HB2 0.0170 0.0072 -0.0022 1563 LYS 106 HB3 0.0171 0.0062 0.0000 1564 LYS 106 HG2 0.0181 0.0060 0.0013 1565 LYS 106 HG3 0.0155 0.0047 0.0018 1566 LYS 106 HD2 0.0156 0.0053 0.0006 1567 LYS 106 HD3 0.0140 0.0055 -0.0014 1568 LYS 106 HE2 0.0171 0.0077 -0.0033 1569 LYS 106 HE3 0.0186 0.0075 -0.0013 1570 LYS 106 HZ1 0.0169 0.0083 -0.0046 1571 LYS 106 HZ2 0.0145 0.0069 -0.0039 1572 LYS 106 HZ3 0.0164 0.0070 -0.0024 1573 SER 107 N 0.0067 0.0027 -0.0013 1574 SER 107 CA 0.0068 0.0039 -0.0010 1575 SER 107 C 0.0058 0.0042 -0.0008 1576 SER 107 O 0.0059 0.0041 -0.0008 1577 SER 107 CB 0.0080 0.0042 -0.0011 1578 SER 107 OG 0.0089 0.0036 -0.0014 1579 SER 107 H 0.0072 0.0022 -0.0015 1580 SER 107 HA 0.0067 0.0044 -0.0008 1581 SER 107 HB2 0.0080 0.0040 -0.0011 1582 SER 107 HB3 0.0082 0.0052 -0.0008 1583 SER 107 HG 0.0096 0.0037 -0.0015 1584 GLY 108 N 0.0048 0.0045 -0.0006 1585 GLY 108 CA 0.0037 0.0048 -0.0003 1586 GLY 108 C 0.0027 0.0040 -0.0004 1587 GLY 108 O 0.0017 0.0043 -0.0002 1588 GLY 108 H 0.0047 0.0046 -0.0005 1589 GLY 108 HA2 0.0036 0.0057 -0.0001 1590 GLY 108 HA3 0.0039 0.0046 -0.0004 1591 GLY 109 N 0.0028 0.0032 -0.0007 1592 GLY 109 CA 0.0019 0.0024 -0.0007 1593 GLY 109 C 0.0017 0.0014 -0.0010 1594 GLY 109 O 0.0025 0.0009 -0.0013 1595 GLY 109 H 0.0037 0.0030 -0.0008 1596 GLY 109 HA2 0.0021 0.0022 -0.0008 1597 GLY 109 HA3 0.0011 0.0029 -0.0005 1598 GLU 110 N 0.0005 0.0010 -0.0009 1599 GLU 110 CA 0.0002 0.0000 -0.0012 1600 GLU 110 C -0.0009 0.0003 -0.0009 1601 GLU 110 O -0.0018 -0.0004 -0.0010 1602 GLU 110 CB -0.0001 -0.0010 -0.0014 1603 GLU 110 CG 0.0009 -0.0013 -0.0016 1604 GLU 110 CD 0.0006 -0.0023 -0.0019 1605 GLU 110 OE1 0.0004 -0.0033 -0.0021 1606 GLU 110 OE2 0.0004 -0.0021 -0.0018 1607 GLU 110 H -0.0001 0.0015 -0.0007 1608 GLU 110 HA 0.0009 -0.0002 -0.0013 1609 GLU 110 HB2 -0.0009 -0.0008 -0.0013 1610 GLU 110 HB3 -0.0003 -0.0018 -0.0016 1611 GLU 110 HG2 0.0016 -0.0016 -0.0018 1612 GLU 110 HG3 0.0012 -0.0006 -0.0015 1613 THR 111 N -0.0008 0.0013 -0.0007 1614 THR 111 CA -0.0018 0.0017 -0.0004 1615 THR 111 C -0.0020 0.0008 -0.0006 1616 THR 111 O -0.0012 0.0005 -0.0009 1617 THR 111 CB -0.0015 0.0029 -0.0001 1618 THR 111 OG1 -0.0011 0.0036 0.0000 1619 THR 111 CG2 -0.0027 0.0034 0.0002 1620 THR 111 H -0.0001 0.0018 -0.0006 1621 THR 111 HA -0.0026 0.0016 -0.0003 1622 THR 111 HB -0.0009 0.0029 -0.0002 1623 THR 111 HG1 -0.0003 0.0037 -0.0001 1624 THR 111 HG21 -0.0029 0.0029 0.0001 1625 THR 111 HG22 -0.0025 0.0043 0.0004 1626 THR 111 HG23 -0.0034 0.0034 0.0003 1627 ARG 112 N -0.0031 0.0005 -0.0006 1628 ARG 112 CA -0.0034 -0.0002 -0.0007 1629 ARG 112 C -0.0044 0.0002 -0.0005 1630 ARG 112 O -0.0049 0.0011 -0.0001 1631 ARG 112 CB -0.0038 -0.0014 -0.0010 1632 ARG 112 CG -0.0048 -0.0014 -0.0009 1633 ARG 112 CD -0.0055 -0.0025 -0.0011 1634 ARG 112 NE -0.0062 -0.0027 -0.0010 1635 ARG 112 CZ -0.0069 -0.0036 -0.0012 1636 ARG 112 NH1 -0.0071 -0.0044 -0.0014 1637 ARG 112 NH2 -0.0075 -0.0037 -0.0011 1638 ARG 112 H -0.0038 0.0009 -0.0004 1639 ARG 112 HA -0.0026 -0.0003 -0.0009 1640 ARG 112 HB2 -0.0041 -0.0020 -0.0011 1641 ARG 112 HB3 -0.0030 -0.0018 -0.0012 1642 ARG 112 HG2 -0.0044 -0.0013 -0.0009 1643 ARG 112 HG3 -0.0053 -0.0007 -0.0006 1644 ARG 112 HD2 -0.0049 -0.0032 -0.0014 1645 ARG 112 HD3 -0.0061 -0.0025 -0.0010 1646 ARG 112 HE -0.0061 -0.0021 -0.0009 1647 ARG 112 HH11 -0.0067 -0.0043 -0.0014 1648 ARG 112 HH12 -0.0077 -0.0050 -0.0015 1649 ARG 112 HH21 -0.0074 -0.0030 -0.0010 1650 ARG 112 HH22 -0.0081 -0.0043 -0.0012 1651 LEU 113 N -0.0041 -0.0020 -0.0004 1652 LEU 113 CA -0.0037 -0.0018 0.0000 1653 LEU 113 C -0.0041 -0.0020 -0.0004 1654 LEU 113 O -0.0038 -0.0019 -0.0001 1655 LEU 113 CB -0.0026 -0.0016 -0.0002 1656 LEU 113 CG -0.0021 -0.0014 0.0004 1657 LEU 113 CD1 -0.0023 -0.0013 0.0014 1658 LEU 113 CD2 -0.0022 -0.0014 0.0001 1659 LEU 113 OXT -0.0048 -0.0022 -0.0009 1660 LEU 113 H -0.0039 -0.0020 -0.0011 1661 LEU 113 HA -0.0038 -0.0018 0.0008 1662 LEU 113 HB2 -0.0025 -0.0016 -0.0009 1663 LEU 113 HB3 -0.0024 -0.0015 -0.0001 1664 LEU 113 HG -0.0014 -0.0012 0.0003 1665 LEU 113 HD11 -0.0030 -0.0015 0.0016 1666 LEU 113 HD12 -0.0023 -0.0013 0.0016 1667 LEU 113 HD13 -0.0018 -0.0012 0.0018 1668 LEU 113 HD21 -0.0020 -0.0014 -0.0007 1669 LEU 113 HD22 -0.0029 -0.0016 0.0001 1670 LEU 113 HD23 -0.0017 -0.0013 0.0005 1671 GLY 1 N -0.0037 0.0044 0.0074 1672 GLY 1 CA -0.0019 0.0043 0.0068 1673 GLY 1 C -0.0039 0.0044 0.0076 1674 GLY 1 O -0.0049 0.0041 0.0103 1675 GLY 1 H1 -0.0024 0.0044 0.0066 1676 GLY 1 H2 -0.0059 0.0047 0.0062 1677 GLY 1 H3 -0.0042 0.0041 0.0098 1678 GLY 1 HA2 0.0002 0.0040 0.0083 1679 GLY 1 HA3 -0.0011 0.0046 0.0044 1680 GLY 2 N -0.0044 0.0047 0.0051 1681 GLY 2 CA -0.0063 0.0048 0.0056 1682 GLY 2 C -0.0078 0.0053 0.0025 1683 GLY 2 O -0.0069 0.0056 -0.0001 1684 GLY 2 H -0.0035 0.0049 0.0030 1685 GLY 2 HA2 -0.0081 0.0047 0.0073 1686 GLY 2 HA3 -0.0047 0.0046 0.0064 1687 SER 3 N -0.0100 0.0054 0.0028 1688 SER 3 CA -0.0117 0.0059 -0.0000 1689 SER 3 C -0.0119 0.0059 0.0002 1690 SER 3 O -0.0118 0.0056 0.0028 1691 SER 3 CB -0.0150 0.0062 -0.0003 1692 SER 3 OG -0.0149 0.0061 0.0003 1693 SER 3 H -0.0106 0.0052 0.0049 1694 SER 3 HA -0.0103 0.0060 -0.0021 1695 SER 3 HB2 -0.0166 0.0061 0.0015 1696 SER 3 HB3 -0.0159 0.0065 -0.0026 1697 SER 3 HG -0.0164 0.0064 -0.0011 1698 MET 4 N -0.0122 0.0062 -0.0026 1699 MET 4 CA -0.0124 0.0063 -0.0028 1700 MET 4 C -0.0096 0.0059 -0.0013 1701 MET 4 O -0.0097 0.0056 0.0014 1702 MET 4 CB -0.0155 0.0063 -0.0012 1703 MET 4 CG -0.0185 0.0068 -0.0031 1704 MET 4 SD -0.0221 0.0068 -0.0012 1705 MET 4 CE -0.0212 0.0067 -0.0011 1706 MET 4 H -0.0122 0.0065 -0.0046 1707 MET 4 HA -0.0125 0.0066 -0.0053 1708 MET 4 HB2 -0.0158 0.0061 0.0011 1709 MET 4 HB3 -0.0153 0.0063 -0.0008 1710 MET 4 HG2 -0.0182 0.0070 -0.0054 1711 MET 4 HG3 -0.0188 0.0068 -0.0035 1712 MET 4 HE1 -0.0191 0.0064 0.0004 1713 MET 4 HE2 -0.0232 0.0067 -0.0001 1714 MET 4 HE3 -0.0207 0.0070 -0.0034 1715 ARG 5 N -0.0070 0.0059 -0.0031 1716 ARG 5 CA -0.0041 0.0056 -0.0020 1717 ARG 5 C -0.0045 0.0056 -0.0020 1718 ARG 5 O -0.0057 0.0060 -0.0043 1719 ARG 5 CB -0.0012 0.0056 -0.0041 1720 ARG 5 CG -0.0002 0.0055 -0.0037 1721 ARG 5 CD -0.0021 0.0059 -0.0058 1722 ARG 5 NE -0.0019 0.0058 -0.0049 1723 ARG 5 CZ -0.0032 0.0061 -0.0066 1724 ARG 5 NH1 -0.0049 0.0065 -0.0091 1725 ARG 5 NH2 -0.0029 0.0059 -0.0056 1726 ARG 5 H -0.0070 0.0062 -0.0053 1727 ARG 5 HA -0.0037 0.0053 0.0004 1728 ARG 5 HB2 -0.0018 0.0060 -0.0065 1729 ARG 5 HB3 0.0008 0.0054 -0.0034 1730 ARG 5 HG2 0.0023 0.0054 -0.0044 1731 ARG 5 HG3 -0.0005 0.0052 -0.0013 1732 ARG 5 HD2 -0.0046 0.0061 -0.0057 1733 ARG 5 HD3 -0.0013 0.0061 -0.0083 1734 ARG 5 HE -0.0007 0.0055 -0.0030 1735 ARG 5 HH11 -0.0052 0.0066 -0.0098 1736 ARG 5 HH12 -0.0059 0.0067 -0.0104 1737 ARG 5 HH21 -0.0016 0.0056 -0.0037 1738 ARG 5 HH22 -0.0039 0.0062 -0.0068 1739 PRO 6 N -0.0037 0.0052 0.0006 1740 PRO 6 CA -0.0041 0.0052 0.0010 1741 PRO 6 C -0.0014 0.0052 -0.0006 1742 PRO 6 O 0.0013 0.0049 0.0005 1743 PRO 6 CB -0.0041 0.0048 0.0046 1744 PRO 6 CG -0.0038 0.0046 0.0060 1745 PRO 6 CD -0.0022 0.0048 0.0035 1746 PRO 6 HA -0.0064 0.0055 -0.0000 1747 PRO 6 HB2 -0.0022 0.0046 0.0052 1748 PRO 6 HB3 -0.0064 0.0049 0.0053 1749 PRO 6 HG2 -0.0022 0.0042 0.0080 1750 PRO 6 HG3 -0.0061 0.0047 0.0067 1751 PRO 6 HD2 0.0003 0.0046 0.0035 1752 PRO 6 HD3 -0.0028 0.0048 0.0039 1753 PRO 7 N 0.0072 0.0038 -0.0038 1754 PRO 7 CA 0.0065 0.0032 -0.0030 1755 PRO 7 C 0.0065 0.0033 -0.0033 1756 PRO 7 O 0.0076 0.0037 -0.0034 1757 PRO 7 CB 0.0073 0.0027 -0.0017 1758 PRO 7 CG 0.0082 0.0031 -0.0018 1759 PRO 7 CD 0.0084 0.0039 -0.0032 1760 PRO 7 HA 0.0054 0.0028 -0.0030 1761 PRO 7 HB2 0.0079 0.0027 -0.0014 1762 PRO 7 HB3 0.0066 0.0021 -0.0010 1763 PRO 7 HG2 0.0091 0.0031 -0.0012 1764 PRO 7 HG3 0.0077 0.0028 -0.0016 1765 PRO 7 HD2 0.0093 0.0043 -0.0033 1766 PRO 7 HD3 0.0086 0.0041 -0.0035 1767 ILE 8 N 0.0054 0.0031 -0.0036 1768 ILE 8 CA 0.0052 0.0032 -0.0038 1769 ILE 8 C 0.0052 0.0025 -0.0026 1770 ILE 8 O 0.0043 0.0019 -0.0020 1771 ILE 8 CB 0.0039 0.0032 -0.0048 1772 ILE 8 CG1 0.0037 0.0037 -0.0057 1773 ILE 8 CG2 0.0040 0.0036 -0.0055 1774 ILE 8 CD1 0.0023 0.0037 -0.0066 1775 ILE 8 H 0.0045 0.0028 -0.0035 1776 ILE 8 HA 0.0061 0.0037 -0.0043 1777 ILE 8 HB 0.0031 0.0027 -0.0042 1778 ILE 8 HG12 0.0045 0.0043 -0.0063 1779 ILE 8 HG13 0.0038 0.0034 -0.0052 1780 ILE 8 HG21 0.0047 0.0042 -0.0061 1781 ILE 8 HG22 0.0044 0.0034 -0.0048 1782 ILE 8 HG23 0.0030 0.0036 -0.0060 1783 ILE 8 HD11 0.0022 0.0039 -0.0072 1784 ILE 8 HD12 0.0022 0.0039 -0.0071 1785 ILE 8 HD13 0.0015 0.0031 -0.0060 1786 ILE 9 N 0.0063 0.0027 -0.0022 1787 ILE 9 CA 0.0065 0.0021 -0.0010 1788 ILE 9 C 0.0056 0.0019 -0.0011 1789 ILE 9 O 0.0060 0.0023 -0.0016 1790 ILE 9 CB 0.0080 0.0023 -0.0006 1791 ILE 9 CG1 0.0090 0.0029 -0.0009 1792 ILE 9 CG2 0.0082 0.0016 0.0009 1793 ILE 9 CD1 0.0088 0.0025 -0.0003 1794 ILE 9 H 0.0070 0.0032 -0.0028 1795 ILE 9 HA 0.0061 0.0016 -0.0003 1796 ILE 9 HB 0.0082 0.0027 -0.0010 1797 ILE 9 HG12 0.0088 0.0034 -0.0019 1798 ILE 9 HG13 0.0100 0.0031 -0.0006 1799 ILE 9 HG21 0.0076 0.0013 0.0011 1800 ILE 9 HG22 0.0093 0.0018 0.0012 1801 ILE 9 HG23 0.0078 0.0013 0.0013 1802 ILE 9 HD11 0.0095 0.0029 -0.0006 1803 ILE 9 HD12 0.0078 0.0023 -0.0006 1804 ILE 9 HD13 0.0089 0.0020 0.0007 1805 ILE 10 N 0.0044 0.0012 -0.0007 1806 ILE 10 CA 0.0036 0.0009 -0.0006 1807 ILE 10 C 0.0042 0.0005 0.0005 1808 ILE 10 O 0.0051 0.0004 0.0013 1809 ILE 10 CB 0.0021 0.0003 -0.0004 1810 ILE 10 CG1 0.0014 0.0006 -0.0014 1811 ILE 10 CG2 0.0012 0.0001 -0.0005 1812 ILE 10 CD1 0.0006 0.0000 -0.0008 1813 ILE 10 H 0.0042 0.0009 -0.0003 1814 ILE 10 HA 0.0035 0.0014 -0.0015 1815 ILE 10 HB 0.0021 -0.0002 0.0005 1816 ILE 10 HG12 0.0007 0.0008 -0.0021 1817 ILE 10 HG13 0.0022 0.0011 -0.0018 1818 ILE 10 HG21 0.0001 -0.0003 -0.0006 1819 ILE 10 HG22 0.0013 0.0006 -0.0014 1820 ILE 10 HG23 0.0015 -0.0003 0.0003 1821 ILE 10 HD11 0.0013 -0.0001 -0.0001 1822 ILE 10 HD12 0.0001 0.0002 -0.0015 1823 ILE 10 HD13 -0.0002 -0.0005 -0.0003 1824 HIS 11 N 0.0038 0.0004 0.0005 1825 HIS 11 CA 0.0043 0.0000 0.0015 1826 HIS 11 C 0.0031 -0.0005 0.0018 1827 HIS 11 O 0.0025 -0.0003 0.0010 1828 HIS 11 CB 0.0055 0.0006 0.0011 1829 HIS 11 CG 0.0063 0.0003 0.0022 1830 HIS 11 ND1 0.0061 0.0001 0.0025 1831 HIS 11 CD2 0.0073 0.0001 0.0032 1832 HIS 11 CE1 0.0070 -0.0001 0.0035 1833 HIS 11 NE2 0.0077 -0.0002 0.0040 1834 HIS 11 H 0.0031 0.0005 -0.0002 1835 HIS 11 HA 0.0047 -0.0003 0.0023 1836 HIS 11 HB2 0.0062 0.0011 0.0007 1837 HIS 11 HB3 0.0050 0.0008 0.0005 1838 HIS 11 HD2 0.0076 0.0002 0.0033 1839 HIS 11 HE1 0.0071 -0.0003 0.0039 1840 HIS 11 HE2 0.0082 -0.0004 0.0048 1841 ARG 12 N 0.0027 -0.0013 0.0029 1842 ARG 12 CA 0.0016 -0.0018 0.0033 1843 ARG 12 C 0.0020 -0.0018 0.0034 1844 ARG 12 O 0.0029 -0.0019 0.0041 1845 ARG 12 CB 0.0013 -0.0026 0.0046 1846 ARG 12 CG 0.0000 -0.0033 0.0050 1847 ARG 12 CD -0.0003 -0.0040 0.0062 1848 ARG 12 NE -0.0015 -0.0047 0.0066 1849 ARG 12 CZ -0.0016 -0.0053 0.0078 1850 ARG 12 NH1 -0.0005 -0.0055 0.0087 1851 ARG 12 NH2 -0.0027 -0.0059 0.0081 1852 ARG 12 H 0.0032 -0.0014 0.0035 1853 ARG 12 HA 0.0007 -0.0018 0.0026 1854 ARG 12 HB2 0.0013 -0.0026 0.0046 1855 ARG 12 HB3 0.0022 -0.0027 0.0053 1856 ARG 12 HG2 0.0001 -0.0033 0.0051 1857 ARG 12 HG3 -0.0008 -0.0031 0.0042 1858 ARG 12 HD2 -0.0004 -0.0040 0.0060 1859 ARG 12 HD3 0.0006 -0.0041 0.0069 1860 ARG 12 HE -0.0023 -0.0046 0.0060 1861 ARG 12 HH11 0.0004 -0.0051 0.0085 1862 ARG 12 HH12 -0.0006 -0.0060 0.0096 1863 ARG 12 HH21 -0.0036 -0.0058 0.0074 1864 ARG 12 HH22 -0.0028 -0.0064 0.0090 1865 ALA 13 N -0.0005 -0.0015 0.0015 1866 ALA 13 CA -0.0008 -0.0016 0.0012 1867 ALA 13 C -0.0021 -0.0021 0.0025 1868 ALA 13 O -0.0032 -0.0023 0.0020 1869 ALA 13 CB -0.0014 -0.0014 -0.0006 1870 ALA 13 H -0.0011 -0.0015 0.0007 1871 ALA 13 HA 0.0004 -0.0013 0.0015 1872 ALA 13 HB1 -0.0017 -0.0014 -0.0008 1873 ALA 13 HB2 -0.0025 -0.0016 -0.0009 1874 ALA 13 HB3 -0.0004 -0.0010 -0.0015 1875 GLY 14 N -0.0019 -0.0023 0.0041 1876 GLY 14 CA -0.0031 -0.0028 0.0054 1877 GLY 14 C -0.0047 -0.0032 0.0053 1878 GLY 14 O -0.0059 -0.0036 0.0062 1879 GLY 14 H -0.0009 -0.0021 0.0044 1880 GLY 14 HA2 -0.0025 -0.0029 0.0067 1881 GLY 14 HA3 -0.0033 -0.0028 0.0053 1882 LYS 15 N -0.0049 -0.0030 0.0041 1883 LYS 15 CA -0.0064 -0.0034 0.0039 1884 LYS 15 C -0.0061 -0.0033 0.0040 1885 LYS 15 O -0.0062 -0.0035 0.0053 1886 LYS 15 CB -0.0073 -0.0033 0.0022 1887 LYS 15 CG -0.0061 -0.0028 0.0008 1888 LYS 15 CD -0.0071 -0.0027 -0.0010 1889 LYS 15 CE -0.0086 -0.0031 -0.0009 1890 LYS 15 NZ -0.0092 -0.0029 -0.0026 1891 LYS 15 H -0.0039 -0.0027 0.0034 1892 LYS 15 HA -0.0072 -0.0037 0.0049 1893 LYS 15 HB2 -0.0080 -0.0033 0.0017 1894 LYS 15 HB3 -0.0083 -0.0035 0.0024 1895 LYS 15 HG2 -0.0057 -0.0027 0.0012 1896 LYS 15 HG3 -0.0051 -0.0025 0.0007 1897 LYS 15 HD2 -0.0062 -0.0023 -0.0018 1898 LYS 15 HD3 -0.0074 -0.0027 -0.0014 1899 LYS 15 HE2 -0.0096 -0.0034 -0.0003 1900 LYS 15 HE3 -0.0083 -0.0031 -0.0001 1901 LYS 15 HZ1 -0.0103 -0.0032 -0.0025 1902 LYS 15 HZ2 -0.0095 -0.0028 -0.0034 1903 LYS 15 HZ3 -0.0083 -0.0026 -0.0032 1904 LYS 16 N -0.0055 -0.0029 0.0025 1905 LYS 16 CA -0.0052 -0.0028 0.0024 1906 LYS 16 C -0.0040 -0.0023 0.0010 1907 LYS 16 O -0.0035 -0.0020 0.0001 1908 LYS 16 CB -0.0068 -0.0032 0.0022 1909 LYS 16 CG -0.0079 -0.0032 0.0006 1910 LYS 16 CD -0.0096 -0.0035 0.0005 1911 LYS 16 CE -0.0107 -0.0036 -0.0010 1912 LYS 16 NZ -0.0115 -0.0038 -0.0005 1913 LYS 16 H -0.0054 -0.0027 0.0015 1914 LYS 16 HA -0.0045 -0.0029 0.0036 1915 LYS 16 HB2 -0.0065 -0.0031 0.0020 1916 LYS 16 HB3 -0.0075 -0.0035 0.0033 1917 LYS 16 HG2 -0.0082 -0.0033 0.0008 1918 LYS 16 HG3 -0.0072 -0.0028 -0.0005 1919 LYS 16 HD2 -0.0093 -0.0034 0.0002 1920 LYS 16 HD3 -0.0102 -0.0039 0.0017 1921 LYS 16 HE2 -0.0100 -0.0032 -0.0021 1922 LYS 16 HE3 -0.0118 -0.0038 -0.0012 1923 LYS 16 HZ1 -0.0124 -0.0042 0.0004 1924 LYS 16 HZ2 -0.0121 -0.0038 -0.0016 1925 LYS 16 HZ3 -0.0105 -0.0037 -0.0000 1926 TYR 17 N -0.0036 -0.0021 0.0008 1927 TYR 17 CA -0.0025 -0.0017 -0.0006 1928 TYR 17 C -0.0036 -0.0016 -0.0022 1929 TYR 17 O -0.0030 -0.0013 -0.0035 1930 TYR 17 CB -0.0014 -0.0015 0.0000 1931 TYR 17 CG -0.0007 -0.0016 0.0018 1932 TYR 17 CD1 -0.0016 -0.0021 0.0033 1933 TYR 17 CD2 0.0010 -0.0013 0.0020 1934 TYR 17 CE1 -0.0008 -0.0022 0.0049 1935 TYR 17 CE2 0.0017 -0.0014 0.0037 1936 TYR 17 CZ 0.0008 -0.0018 0.0051 1937 TYR 17 OH 0.0015 -0.0019 0.0067 1938 TYR 17 H -0.0041 -0.0024 0.0015 1939 TYR 17 HA -0.0017 -0.0014 -0.0009 1940 TYR 17 HB2 -0.0022 -0.0017 0.0001 1941 TYR 17 HB3 -0.0004 -0.0011 -0.0008 1942 TYR 17 HD1 -0.0028 -0.0024 0.0032 1943 TYR 17 HD2 0.0017 -0.0009 0.0009 1944 TYR 17 HE1 -0.0016 -0.0026 0.0060 1945 TYR 17 HE2 0.0030 -0.0011 0.0038 1946 TYR 17 HH 0.0020 -0.0019 0.0072 1947 GLY 18 N -0.0053 -0.0021 -0.0020 1948 GLY 18 CA -0.0066 -0.0022 -0.0034 1949 GLY 18 C -0.0068 -0.0021 -0.0040 1950 GLY 18 O -0.0082 -0.0023 -0.0047 1951 GLY 18 H -0.0056 -0.0023 -0.0009 1952 GLY 18 HA2 -0.0078 -0.0025 -0.0029 1953 GLY 18 HA3 -0.0063 -0.0019 -0.0044 1954 PHE 19 N -0.0031 -0.0012 -0.0027 1955 PHE 19 CA -0.0028 -0.0013 -0.0025 1956 PHE 19 C -0.0027 -0.0009 -0.0022 1957 PHE 19 O -0.0028 -0.0007 -0.0021 1958 PHE 19 CB -0.0026 -0.0016 -0.0024 1959 PHE 19 CG -0.0024 -0.0015 -0.0023 1960 PHE 19 CD1 -0.0026 -0.0015 -0.0024 1961 PHE 19 CD2 -0.0021 -0.0015 -0.0020 1962 PHE 19 CE1 -0.0025 -0.0014 -0.0023 1963 PHE 19 CE2 -0.0020 -0.0014 -0.0019 1964 PHE 19 CZ -0.0022 -0.0014 -0.0020 1965 PHE 19 H -0.0031 -0.0012 -0.0028 1966 PHE 19 HA -0.0028 -0.0013 -0.0025 1967 PHE 19 HB2 -0.0024 -0.0017 -0.0023 1968 PHE 19 HB3 -0.0027 -0.0018 -0.0027 1969 PHE 19 HD1 -0.0029 -0.0015 -0.0027 1970 PHE 19 HD2 -0.0020 -0.0016 -0.0019 1971 PHE 19 HE1 -0.0027 -0.0013 -0.0024 1972 PHE 19 HE2 -0.0018 -0.0014 -0.0017 1973 PHE 19 HZ -0.0021 -0.0013 -0.0019 1974 THR 20 N -0.0025 -0.0009 -0.0020 1975 THR 20 CA -0.0024 -0.0006 -0.0017 1976 THR 20 C -0.0021 -0.0007 -0.0015 1977 THR 20 O -0.0018 -0.0010 -0.0014 1978 THR 20 CB -0.0024 -0.0005 -0.0017 1979 THR 20 OG1 -0.0027 -0.0004 -0.0019 1980 THR 20 CG2 -0.0023 -0.0002 -0.0014 1981 THR 20 H -0.0025 -0.0011 -0.0021 1982 THR 20 HA -0.0025 -0.0004 -0.0017 1983 THR 20 HB -0.0022 -0.0008 -0.0017 1984 THR 20 HG1 -0.0028 -0.0006 -0.0021 1985 THR 20 HG21 -0.0024 0.0001 -0.0014 1986 THR 20 HG22 -0.0021 -0.0002 -0.0012 1987 THR 20 HG23 -0.0022 -0.0002 -0.0013 1988 LEU 21 N -0.0020 -0.0005 -0.0013 1989 LEU 21 CA -0.0017 -0.0006 -0.0011 1990 LEU 21 C -0.0015 -0.0004 -0.0008 1991 LEU 21 O -0.0015 -0.0001 -0.0007 1992 LEU 21 CB -0.0017 -0.0005 -0.0011 1993 LEU 21 CG -0.0014 -0.0007 -0.0009 1994 LEU 21 CD1 -0.0012 -0.0011 -0.0010 1995 LEU 21 CD2 -0.0015 -0.0009 -0.0011 1996 LEU 21 H -0.0022 -0.0003 -0.0014 1997 LEU 21 HA -0.0016 -0.0009 -0.0012 1998 LEU 21 HB2 -0.0019 -0.0005 -0.0013 1999 LEU 21 HB3 -0.0017 -0.0002 -0.0009 2000 LEU 21 HG -0.0013 -0.0006 -0.0007 2001 LEU 21 HD11 -0.0010 -0.0012 -0.0009 2002 LEU 21 HD12 -0.0014 -0.0013 -0.0012 2003 LEU 21 HD13 -0.0011 -0.0010 -0.0008 2004 LEU 21 HD21 -0.0017 -0.0010 -0.0013 2005 LEU 21 HD22 -0.0014 -0.0010 -0.0010 2006 LEU 21 HD23 -0.0017 -0.0006 -0.0011 2007 ARG 22 N -0.0014 -0.0005 -0.0008 2008 ARG 22 CA -0.0012 -0.0004 -0.0005 2009 ARG 22 C -0.0009 -0.0003 -0.0002 2010 ARG 22 O -0.0007 -0.0006 -0.0002 2011 ARG 22 CB -0.0011 -0.0006 -0.0006 2012 ARG 22 CG -0.0011 -0.0003 -0.0004 2013 ARG 22 CD -0.0014 -0.0001 -0.0006 2014 ARG 22 NE -0.0014 -0.0000 -0.0005 2015 ARG 22 CZ -0.0016 0.0003 -0.0006 2016 ARG 22 NH1 -0.0018 0.0005 -0.0006 2017 ARG 22 NH2 -0.0016 0.0003 -0.0005 2018 ARG 22 H -0.0014 -0.0008 -0.0009 2019 ARG 22 HA -0.0014 -0.0001 -0.0005 2020 ARG 22 HB2 -0.0012 -0.0007 -0.0008 2021 ARG 22 HB3 -0.0009 -0.0008 -0.0004 2022 ARG 22 HG2 -0.0010 -0.0005 -0.0004 2023 ARG 22 HG3 -0.0010 -0.0001 -0.0002 2024 ARG 22 HD2 -0.0015 0.0001 -0.0005 2025 ARG 22 HD3 -0.0016 -0.0003 -0.0008 2026 ARG 22 HE -0.0013 -0.0002 -0.0005 2027 ARG 22 HH11 -0.0018 0.0005 -0.0007 2028 ARG 22 HH12 -0.0020 0.0007 -0.0007 2029 ARG 22 HH21 -0.0015 0.0002 -0.0005 2030 ARG 22 HH22 -0.0018 0.0006 -0.0006 2031 ALA 23 N -0.0009 -0.0000 -0.0000 2032 ALA 23 CA -0.0006 0.0000 0.0003 2033 ALA 23 C -0.0003 -0.0001 0.0004 2034 ALA 23 O -0.0003 0.0001 0.0005 2035 ALA 23 CB -0.0007 0.0004 0.0004 2036 ALA 23 H -0.0010 0.0002 -0.0000 2037 ALA 23 HA -0.0005 -0.0001 0.0002 2038 ALA 23 HB1 -0.0008 0.0006 0.0004 2039 ALA 23 HB2 -0.0008 0.0005 0.0003 2040 ALA 23 HB3 -0.0004 0.0005 0.0006 2041 ILE 24 N -0.0000 -0.0003 0.0006 2042 ILE 24 CA 0.0002 -0.0004 0.0008 2043 ILE 24 C 0.0005 -0.0004 0.0010 2044 ILE 24 O 0.0005 -0.0003 0.0011 2045 ILE 24 CB 0.0003 -0.0008 0.0006 2046 ILE 24 CG1 0.0004 -0.0011 0.0005 2047 ILE 24 CG2 0.0001 -0.0008 0.0004 2048 ILE 24 CD1 0.0006 -0.0014 0.0005 2049 ILE 24 H -0.0000 -0.0004 0.0005 2050 ILE 24 HA 0.0002 -0.0002 0.0008 2051 ILE 24 HB 0.0005 -0.0009 0.0008 2052 ILE 24 HG12 0.0001 -0.0011 0.0003 2053 ILE 24 HG13 0.0005 -0.0010 0.0007 2054 ILE 24 HG21 -0.0002 -0.0007 0.0002 2055 ILE 24 HG22 0.0000 -0.0006 0.0005 2056 ILE 24 HG23 0.0001 -0.0011 0.0003 2057 ILE 24 HD11 0.0005 -0.0016 0.0004 2058 ILE 24 HD12 0.0004 -0.0015 0.0003 2059 ILE 24 HD13 0.0008 -0.0015 0.0007 2060 ARG 25 N 0.0039 -0.0002 0.0025 2061 ARG 25 CA 0.0028 -0.0001 0.0013 2062 ARG 25 C 0.0022 -0.0005 0.0034 2063 ARG 25 O 0.0039 -0.0004 0.0041 2064 ARG 25 CB 0.0047 0.0004 -0.0007 2065 ARG 25 CG 0.0046 0.0008 -0.0034 2066 ARG 25 CD 0.0064 0.0013 -0.0053 2067 ARG 25 NE 0.0063 0.0017 -0.0079 2068 ARG 25 CZ 0.0075 0.0022 -0.0100 2069 ARG 25 NH1 0.0088 0.0023 -0.0099 2070 ARG 25 NH2 0.0074 0.0025 -0.0123 2071 ARG 25 H 0.0052 -0.0003 0.0040 2072 ARG 25 HA 0.0010 -0.0002 0.0003 2073 ARG 25 HB2 0.0067 0.0005 0.0001 2074 ARG 25 HB3 0.0041 0.0004 -0.0011 2075 ARG 25 HG2 0.0026 0.0007 -0.0042 2076 ARG 25 HG3 0.0053 0.0008 -0.0031 2077 ARG 25 HD2 0.0084 0.0015 -0.0046 2078 ARG 25 HD3 0.0058 0.0013 -0.0056 2079 ARG 25 HE 0.0053 0.0016 -0.0081 2080 ARG 25 HH11 0.0089 0.0021 -0.0082 2081 ARG 25 HH12 0.0097 0.0027 -0.0115 2082 ARG 25 HH21 0.0064 0.0024 -0.0124 2083 ARG 25 HH22 0.0083 0.0029 -0.0139 2084 VAL 26 N -0.0002 -0.0010 0.0044 2085 VAL 26 CA -0.0010 -0.0014 0.0064 2086 VAL 26 C -0.0018 -0.0013 0.0052 2087 VAL 26 O -0.0035 -0.0013 0.0035 2088 VAL 26 CB -0.0034 -0.0019 0.0079 2089 VAL 26 CG1 -0.0025 -0.0021 0.0100 2090 VAL 26 CG2 -0.0054 -0.0019 0.0060 2091 VAL 26 H -0.0015 -0.0010 0.0037 2092 VAL 26 HA 0.0006 -0.0014 0.0078 2093 VAL 26 HB -0.0044 -0.0022 0.0088 2094 VAL 26 HG11 -0.0042 -0.0024 0.0106 2095 VAL 26 HG12 -0.0010 -0.0018 0.0093 2096 VAL 26 HG13 -0.0018 -0.0023 0.0117 2097 VAL 26 HG21 -0.0071 -0.0023 0.0071 2098 VAL 26 HG22 -0.0059 -0.0017 0.0045 2099 VAL 26 HG23 -0.0045 -0.0016 0.0052 2100 TYR 27 N -0.0005 -0.0013 0.0062 2101 TYR 27 CA -0.0011 -0.0012 0.0053 2102 TYR 27 C -0.0035 -0.0017 0.0066 2103 TYR 27 O -0.0040 -0.0021 0.0089 2104 TYR 27 CB 0.0013 -0.0010 0.0058 2105 TYR 27 CG 0.0036 -0.0004 0.0040 2106 TYR 27 CD1 0.0055 -0.0003 0.0047 2107 TYR 27 CD2 0.0039 -0.0000 0.0016 2108 TYR 27 CE1 0.0076 0.0002 0.0031 2109 TYR 27 CE2 0.0060 0.0005 -0.0000 2110 TYR 27 CZ 0.0078 0.0006 0.0007 2111 TYR 27 OH 0.0099 0.0011 -0.0009 2112 TYR 27 H 0.0008 -0.0013 0.0076 2113 TYR 27 HA -0.0015 -0.0009 0.0032 2114 TYR 27 HB2 0.0020 -0.0012 0.0078 2115 TYR 27 HB3 0.0007 -0.0010 0.0054 2116 TYR 27 HD1 0.0053 -0.0006 0.0066 2117 TYR 27 HD2 0.0024 -0.0001 0.0010 2118 TYR 27 HE1 0.0090 0.0003 0.0037 2119 TYR 27 HE2 0.0061 0.0008 -0.0019 2120 TYR 27 HH 0.0093 0.0013 -0.0026 2121 MET 28 N -0.0050 -0.0017 0.0051 2122 MET 28 CA -0.0074 -0.0022 0.0062 2123 MET 28 C -0.0074 -0.0021 0.0059 2124 MET 28 O -0.0094 -0.0022 0.0051 2125 MET 28 CB -0.0099 -0.0022 0.0047 2126 MET 28 CG -0.0101 -0.0023 0.0050 2127 MET 28 SD -0.0131 -0.0024 0.0034 2128 MET 28 CE -0.0156 -0.0031 0.0054 2129 MET 28 H -0.0045 -0.0014 0.0033 2130 MET 28 HA -0.0075 -0.0025 0.0082 2131 MET 28 HB2 -0.0097 -0.0019 0.0027 2132 MET 28 HB3 -0.0116 -0.0026 0.0055 2133 MET 28 HG2 -0.0102 -0.0026 0.0070 2134 MET 28 HG3 -0.0084 -0.0020 0.0041 2135 MET 28 HE1 -0.0152 -0.0033 0.0075 2136 MET 28 HE2 -0.0156 -0.0030 0.0052 2137 MET 28 HE3 -0.0175 -0.0032 0.0048 2138 GLY 29 N -0.0052 -0.0020 0.0067 2139 GLY 29 CA -0.0050 -0.0019 0.0066 2140 GLY 29 C -0.0022 -0.0015 0.0062 2141 GLY 29 O -0.0003 -0.0013 0.0065 2142 GLY 29 H -0.0037 -0.0019 0.0073 2143 GLY 29 HA2 -0.0057 -0.0023 0.0084 2144 GLY 29 HA3 -0.0062 -0.0018 0.0049 2145 ASP 30 N -0.0019 -0.0014 0.0055 2146 ASP 30 CA 0.0006 -0.0010 0.0051 2147 ASP 30 C 0.0016 -0.0004 0.0023 2148 ASP 30 O 0.0039 -0.0001 0.0018 2149 ASP 30 CB 0.0005 -0.0011 0.0057 2150 ASP 30 CG 0.0030 -0.0007 0.0050 2151 ASP 30 OD1 0.0048 -0.0007 0.0068 2152 ASP 30 OD2 0.0032 -0.0003 0.0028 2153 ASP 30 H -0.0035 -0.0015 0.0053 2154 ASP 30 HA 0.0021 -0.0010 0.0065 2155 ASP 30 HB2 0.0001 -0.0015 0.0077 2156 ASP 30 HB3 -0.0011 -0.0011 0.0045 2157 SER 31 N -0.0018 -0.0006 -0.0045 2158 SER 31 CA -0.0011 -0.0005 -0.0071 2159 SER 31 C 0.0000 -0.0007 -0.0069 2160 SER 31 O 0.0003 -0.0008 -0.0047 2161 SER 31 CB -0.0035 -0.0002 -0.0089 2162 SER 31 OG -0.0050 -0.0000 -0.0085 2163 SER 31 H -0.0036 -0.0004 -0.0040 2164 SER 31 HA 0.0004 -0.0007 -0.0080 2165 SER 31 HB2 -0.0048 -0.0001 -0.0084 2166 SER 31 HB3 -0.0029 -0.0001 -0.0109 2167 SER 31 HG -0.0039 -0.0002 -0.0076 2168 ASP 32 N 0.0007 -0.0006 -0.0092 2169 ASP 32 CA 0.0018 -0.0008 -0.0093 2170 ASP 32 C -0.0004 -0.0005 -0.0088 2171 ASP 32 O -0.0002 -0.0005 -0.0099 2172 ASP 32 CB 0.0032 -0.0008 -0.0119 2173 ASP 32 CG 0.0055 -0.0011 -0.0116 2174 ASP 32 OD1 0.0074 -0.0013 -0.0103 2175 ASP 32 OD2 0.0054 -0.0010 -0.0128 2176 ASP 32 H 0.0004 -0.0005 -0.0109 2177 ASP 32 HA 0.0032 -0.0010 -0.0077 2178 ASP 32 HB2 0.0039 -0.0008 -0.0127 2179 ASP 32 HB3 0.0018 -0.0006 -0.0133 2180 VAL 33 N -0.0024 -0.0004 -0.0073 2181 VAL 33 CA -0.0046 -0.0002 -0.0068 2182 VAL 33 C -0.0039 -0.0004 -0.0044 2183 VAL 33 O -0.0034 -0.0005 -0.0022 2184 VAL 33 CB -0.0072 0.0001 -0.0063 2185 VAL 33 CG1 -0.0069 -0.0000 -0.0045 2186 VAL 33 CG2 -0.0093 0.0003 -0.0052 2187 VAL 33 H -0.0024 -0.0004 -0.0066 2188 VAL 33 HA -0.0048 -0.0001 -0.0085 2189 VAL 33 HB -0.0078 0.0003 -0.0082 2190 VAL 33 HG11 -0.0087 0.0002 -0.0042 2191 VAL 33 HG12 -0.0062 -0.0002 -0.0025 2192 VAL 33 HG13 -0.0054 -0.0001 -0.0053 2193 VAL 33 HG21 -0.0111 0.0005 -0.0051 2194 VAL 33 HG22 -0.0095 0.0004 -0.0066 2195 VAL 33 HG23 -0.0087 0.0001 -0.0033 2196 TYR 34 N -0.0039 -0.0003 -0.0048 2197 TYR 34 CA -0.0033 -0.0005 -0.0027 2198 TYR 34 C -0.0047 -0.0003 -0.0032 2199 TYR 34 O -0.0052 -0.0001 -0.0055 2200 TYR 34 CB -0.0003 -0.0009 -0.0026 2201 TYR 34 CG 0.0010 -0.0009 -0.0051 2202 TYR 34 CD1 0.0011 -0.0009 -0.0057 2203 TYR 34 CD2 0.0020 -0.0009 -0.0069 2204 TYR 34 CE1 0.0023 -0.0009 -0.0081 2205 TYR 34 CE2 0.0032 -0.0009 -0.0093 2206 TYR 34 CZ 0.0033 -0.0009 -0.0098 2207 TYR 34 OH 0.0044 -0.0009 -0.0122 2208 TYR 34 H -0.0043 -0.0002 -0.0066 2209 TYR 34 HA -0.0039 -0.0005 -0.0009 2210 TYR 34 HB2 0.0001 -0.0010 -0.0011 2211 TYR 34 HB3 0.0007 -0.0010 -0.0020 2212 TYR 34 HD1 0.0003 -0.0008 -0.0044 2213 TYR 34 HD2 0.0019 -0.0009 -0.0065 2214 TYR 34 HE1 0.0023 -0.0009 -0.0085 2215 TYR 34 HE2 0.0040 -0.0009 -0.0106 2216 TYR 34 HH 0.0038 -0.0008 -0.0136 2217 THR 35 N -0.0053 -0.0004 -0.0011 2218 THR 35 CA -0.0066 -0.0002 -0.0012 2219 THR 35 C -0.0047 -0.0004 -0.0007 2220 THR 35 O -0.0033 -0.0007 0.0013 2221 THR 35 CB -0.0090 -0.0000 0.0007 2222 THR 35 OG1 -0.0089 -0.0001 0.0025 2223 THR 35 CG2 -0.0116 0.0003 -0.0007 2224 THR 35 H -0.0049 -0.0005 0.0007 2225 THR 35 HA -0.0074 -0.0000 -0.0032 2226 THR 35 HB -0.0088 -0.0001 0.0018 2227 THR 35 HG1 -0.0104 0.0001 0.0022 2228 THR 35 HG21 -0.0132 0.0005 0.0006 2229 THR 35 HG22 -0.0118 0.0004 -0.0017 2230 THR 35 HG23 -0.0116 0.0004 -0.0022 2231 VAL 36 N -0.0046 -0.0004 -0.0024 2232 VAL 36 CA -0.0028 -0.0006 -0.0021 2233 VAL 36 C -0.0040 -0.0006 -0.0002 2234 VAL 36 O -0.0055 -0.0003 -0.0010 2235 VAL 36 CB -0.0021 -0.0005 -0.0047 2236 VAL 36 CG1 0.0002 -0.0008 -0.0044 2237 VAL 36 CG2 -0.0014 -0.0005 -0.0068 2238 VAL 36 H -0.0057 -0.0002 -0.0040 2239 VAL 36 HA -0.0010 -0.0008 -0.0013 2240 VAL 36 HB -0.0038 -0.0003 -0.0054 2241 VAL 36 HG11 0.0006 -0.0008 -0.0062 2242 VAL 36 HG12 0.0019 -0.0010 -0.0038 2243 VAL 36 HG13 -0.0003 -0.0008 -0.0029 2244 VAL 36 HG21 -0.0030 -0.0003 -0.0071 2245 VAL 36 HG22 0.0003 -0.0007 -0.0062 2246 VAL 36 HG23 -0.0010 -0.0005 -0.0087 2247 HIS 37 N -0.0010 -0.0008 -0.0001 2248 HIS 37 CA -0.0011 -0.0010 -0.0004 2249 HIS 37 C -0.0012 -0.0007 -0.0007 2250 HIS 37 O -0.0012 -0.0004 -0.0006 2251 HIS 37 CB -0.0010 -0.0013 -0.0003 2252 HIS 37 CG -0.0009 -0.0016 -0.0001 2253 HIS 37 ND1 -0.0009 -0.0017 -0.0001 2254 HIS 37 CD2 -0.0008 -0.0018 0.0001 2255 HIS 37 CE1 -0.0008 -0.0019 0.0001 2256 HIS 37 NE2 -0.0007 -0.0020 0.0002 2257 HIS 37 H -0.0009 -0.0007 0.0000 2258 HIS 37 HA -0.0011 -0.0011 -0.0006 2259 HIS 37 HB2 -0.0010 -0.0011 -0.0002 2260 HIS 37 HB3 -0.0011 -0.0014 -0.0005 2261 HIS 37 HD2 -0.0008 -0.0018 0.0002 2262 HIS 37 HE1 -0.0008 -0.0021 0.0001 2263 HIS 37 HE2 -0.0006 -0.0022 0.0004 2264 HIS 38 N -0.0013 -0.0009 -0.0009 2265 HIS 38 CA -0.0014 -0.0007 -0.0011 2266 HIS 38 C -0.0015 -0.0009 -0.0013 2267 HIS 38 O -0.0014 -0.0012 -0.0013 2268 HIS 38 CB -0.0016 -0.0006 -0.0014 2269 HIS 38 CG -0.0015 -0.0003 -0.0013 2270 HIS 38 ND1 -0.0015 0.0000 -0.0012 2271 HIS 38 CD2 -0.0015 -0.0004 -0.0013 2272 HIS 38 CE1 -0.0015 0.0001 -0.0012 2273 HIS 38 NE2 -0.0015 -0.0001 -0.0012 2274 HIS 38 H -0.0013 -0.0012 -0.0009 2275 HIS 38 HA -0.0014 -0.0004 -0.0010 2276 HIS 38 HB2 -0.0016 -0.0008 -0.0016 2277 HIS 38 HB3 -0.0017 -0.0004 -0.0016 2278 HIS 38 HD2 -0.0015 -0.0007 -0.0014 2279 HIS 38 HE1 -0.0015 0.0004 -0.0011 2280 HIS 38 HE2 -0.0015 -0.0001 -0.0011 2281 MET 39 N -0.0016 -0.0007 -0.0014 2282 MET 39 CA -0.0016 -0.0009 -0.0016 2283 MET 39 C -0.0017 -0.0007 -0.0019 2284 MET 39 O -0.0018 -0.0003 -0.0019 2285 MET 39 CB -0.0015 -0.0009 -0.0013 2286 MET 39 CG -0.0013 -0.0011 -0.0010 2287 MET 39 SD -0.0012 -0.0012 -0.0008 2288 MET 39 CE -0.0012 -0.0008 -0.0006 2289 MET 39 H -0.0016 -0.0004 -0.0015 2290 MET 39 HA -0.0016 -0.0011 -0.0016 2291 MET 39 HB2 -0.0015 -0.0006 -0.0012 2292 MET 39 HB3 -0.0015 -0.0010 -0.0014 2293 MET 39 HG2 -0.0014 -0.0014 -0.0011 2294 MET 39 HG3 -0.0013 -0.0010 -0.0009 2295 MET 39 HE1 -0.0011 -0.0008 -0.0004 2296 MET 39 HE2 -0.0013 -0.0006 -0.0008 2297 MET 39 HE3 -0.0011 -0.0007 -0.0005 2298 VAL 40 N -0.0018 -0.0009 -0.0021 2299 VAL 40 CA -0.0020 -0.0007 -0.0024 2300 VAL 40 C -0.0019 -0.0005 -0.0023 2301 VAL 40 O -0.0019 -0.0007 -0.0023 2302 VAL 40 CB -0.0021 -0.0010 -0.0027 2303 VAL 40 CG1 -0.0020 -0.0013 -0.0026 2304 VAL 40 CG2 -0.0022 -0.0008 -0.0030 2305 VAL 40 H -0.0018 -0.0011 -0.0021 2306 VAL 40 HA -0.0020 -0.0005 -0.0025 2307 VAL 40 HB -0.0021 -0.0010 -0.0028 2308 VAL 40 HG11 -0.0020 -0.0012 -0.0025 2309 VAL 40 HG12 -0.0019 -0.0015 -0.0024 2310 VAL 40 HG13 -0.0021 -0.0015 -0.0028 2311 VAL 40 HG21 -0.0023 -0.0005 -0.0030 2312 VAL 40 HG22 -0.0022 -0.0008 -0.0029 2313 VAL 40 HG23 -0.0023 -0.0010 -0.0032 2314 TRP 41 N -0.0020 -0.0002 -0.0023 2315 TRP 41 CA -0.0019 0.0001 -0.0022 2316 TRP 41 C -0.0021 0.0001 -0.0025 2317 TRP 41 O -0.0020 0.0000 -0.0024 2318 TRP 41 CB -0.0019 0.0004 -0.0021 2319 TRP 41 CG -0.0019 0.0006 -0.0019 2320 TRP 41 CD1 -0.0019 0.0010 -0.0019 2321 TRP 41 CD2 -0.0017 0.0005 -0.0015 2322 TRP 41 NE1 -0.0018 0.0011 -0.0016 2323 TRP 41 CE2 -0.0017 0.0008 -0.0014 2324 TRP 41 CE3 -0.0016 0.0002 -0.0013 2325 TRP 41 CZ2 -0.0015 0.0008 -0.0011 2326 TRP 41 CZ3 -0.0015 0.0002 -0.0010 2327 TRP 41 CH2 -0.0014 0.0005 -0.0009 2328 TRP 41 H -0.0020 -0.0000 -0.0023 2329 TRP 41 HA -0.0018 -0.0001 -0.0020 2330 TRP 41 HB2 -0.0019 0.0004 -0.0020 2331 TRP 41 HB3 -0.0021 0.0006 -0.0023 2332 TRP 41 HD1 -0.0020 0.0011 -0.0021 2333 TRP 41 HE1 -0.0018 0.0013 -0.0016 2334 TRP 41 HE3 -0.0016 0.0000 -0.0014 2335 TRP 41 HZ2 -0.0015 0.0010 -0.0010 2336 TRP 41 HZ3 -0.0014 -0.0000 -0.0009 2337 TRP 41 HH2 -0.0013 0.0004 -0.0006 2338 HIS 42 N -0.0022 0.0001 -0.0028 2339 HIS 42 CA -0.0023 0.0001 -0.0030 2340 HIS 42 C -0.0024 -0.0000 -0.0034 2341 HIS 42 O -0.0025 0.0001 -0.0034 2342 HIS 42 CB -0.0024 0.0005 -0.0031 2343 HIS 42 CG -0.0024 0.0005 -0.0032 2344 HIS 42 ND1 -0.0023 0.0006 -0.0030 2345 HIS 42 CD2 -0.0026 0.0005 -0.0035 2346 HIS 42 CE1 -0.0024 0.0006 -0.0032 2347 HIS 42 NE2 -0.0026 0.0005 -0.0035 2348 HIS 42 H -0.0022 0.0001 -0.0028 2349 HIS 42 HA -0.0023 -0.0001 -0.0030 2350 HIS 42 HB2 -0.0023 0.0006 -0.0028 2351 HIS 42 HB3 -0.0025 0.0006 -0.0032 2352 HIS 42 HD2 -0.0026 0.0004 -0.0037 2353 HIS 42 HE1 -0.0024 0.0006 -0.0031 2354 HIS 42 HE2 -0.0026 0.0005 -0.0037 2355 VAL 43 N -0.0056 0.0002 -0.0061 2356 VAL 43 CA -0.0049 0.0001 -0.0060 2357 VAL 43 C -0.0057 0.0001 -0.0073 2358 VAL 43 O -0.0059 0.0001 -0.0088 2359 VAL 43 CB -0.0029 -0.0002 -0.0062 2360 VAL 43 CG1 -0.0024 -0.0003 -0.0078 2361 VAL 43 CG2 -0.0021 -0.0003 -0.0064 2362 VAL 43 H -0.0056 0.0001 -0.0073 2363 VAL 43 HA -0.0051 0.0001 -0.0047 2364 VAL 43 HB -0.0023 -0.0002 -0.0051 2365 VAL 43 HG11 -0.0028 -0.0003 -0.0076 2366 VAL 43 HG12 -0.0010 -0.0005 -0.0080 2367 VAL 43 HG13 -0.0031 -0.0003 -0.0090 2368 VAL 43 HG21 -0.0022 -0.0002 -0.0051 2369 VAL 43 HG22 -0.0028 -0.0003 -0.0074 2370 VAL 43 HG23 -0.0007 -0.0005 -0.0067 2371 GLU 44 N -0.0062 0.0002 -0.0066 2372 GLU 44 CA -0.0071 0.0003 -0.0077 2373 GLU 44 C -0.0059 0.0001 -0.0091 2374 GLU 44 O -0.0046 -0.0001 -0.0087 2375 GLU 44 CB -0.0077 0.0004 -0.0065 2376 GLU 44 CG -0.0093 0.0007 -0.0054 2377 GLU 44 CD -0.0103 0.0008 -0.0047 2378 GLU 44 OE1 -0.0095 0.0008 -0.0038 2379 GLU 44 OE2 -0.0119 0.0010 -0.0050 2380 GLU 44 H -0.0060 0.0002 -0.0054 2381 GLU 44 HA -0.0082 0.0004 -0.0083 2382 GLU 44 HB2 -0.0067 0.0003 -0.0056 2383 GLU 44 HB3 -0.0081 0.0004 -0.0073 2384 GLU 44 HG2 -0.0101 0.0008 -0.0062 2385 GLU 44 HG3 -0.0088 0.0006 -0.0043 2386 ASP 45 N -0.0064 0.0001 -0.0107 2387 ASP 45 CA -0.0054 -0.0001 -0.0122 2388 ASP 45 C -0.0059 -0.0000 -0.0127 2389 ASP 45 O -0.0058 -0.0001 -0.0143 2390 ASP 45 CB -0.0056 -0.0001 -0.0138 2391 ASP 45 CG -0.0075 0.0001 -0.0144 2392 ASP 45 OD1 -0.0086 0.0003 -0.0134 2393 ASP 45 OD2 -0.0079 0.0001 -0.0158 2394 ASP 45 H -0.0074 0.0002 -0.0109 2395 ASP 45 HA -0.0040 -0.0002 -0.0118 2396 ASP 45 HB2 -0.0048 -0.0002 -0.0148 2397 ASP 45 HB3 -0.0053 -0.0001 -0.0134 2398 GLY 46 N -0.0063 0.0001 -0.0115 2399 GLY 46 CA -0.0068 0.0001 -0.0118 2400 GLY 46 C -0.0058 0.0000 -0.0109 2401 GLY 46 O -0.0063 0.0001 -0.0108 2402 GLY 46 H -0.0063 0.0001 -0.0102 2403 GLY 46 HA2 -0.0067 0.0001 -0.0132 2404 GLY 46 HA3 -0.0082 0.0003 -0.0115 2405 GLY 47 N -0.0042 -0.0002 -0.0102 2406 GLY 47 CA -0.0032 -0.0003 -0.0093 2407 GLY 47 C -0.0018 -0.0004 -0.0081 2408 GLY 47 O -0.0003 -0.0006 -0.0084 2409 GLY 47 H -0.0038 -0.0002 -0.0103 2410 GLY 47 HA2 -0.0026 -0.0004 -0.0103 2411 GLY 47 HA3 -0.0041 -0.0001 -0.0086 2412 PRO 48 N -0.0024 -0.0003 -0.0066 2413 PRO 48 CA -0.0012 -0.0004 -0.0053 2414 PRO 48 C 0.0001 -0.0006 -0.0059 2415 PRO 48 O 0.0010 -0.0007 -0.0073 2416 PRO 48 CB -0.0024 -0.0002 -0.0039 2417 PRO 48 CG -0.0040 0.0000 -0.0042 2418 PRO 48 CD -0.0042 -0.0000 -0.0061 2419 PRO 48 HA -0.0004 -0.0005 -0.0047 2420 PRO 48 HB2 -0.0025 -0.0002 -0.0042 2421 PRO 48 HB3 -0.0019 -0.0002 -0.0027 2422 PRO 48 HG2 -0.0051 0.0002 -0.0037 2423 PRO 48 HG3 -0.0040 0.0000 -0.0036 2424 PRO 48 HD2 -0.0047 0.0000 -0.0067 2425 PRO 48 HD3 -0.0050 0.0001 -0.0064 2426 ALA 49 N -0.0010 0.0006 -0.0053 2427 ALA 49 CA -0.0003 0.0005 -0.0055 2428 ALA 49 C -0.0002 0.0007 -0.0071 2429 ALA 49 O 0.0009 0.0006 -0.0075 2430 ALA 49 CB -0.0009 0.0004 -0.0045 2431 ALA 49 H -0.0017 0.0005 -0.0045 2432 ALA 49 HA 0.0008 0.0003 -0.0052 2433 ALA 49 HB1 -0.0001 0.0002 -0.0040 2434 ALA 49 HB2 -0.0016 0.0006 -0.0051 2435 ALA 49 HB3 -0.0016 0.0004 -0.0037 2436 SER 50 N -0.0013 0.0011 -0.0079 2437 SER 50 CA -0.0013 0.0013 -0.0093 2438 SER 50 C -0.0002 0.0013 -0.0103 2439 SER 50 O 0.0007 0.0013 -0.0109 2440 SER 50 CB -0.0028 0.0017 -0.0100 2441 SER 50 OG -0.0038 0.0018 -0.0097 2442 SER 50 H -0.0022 0.0011 -0.0075 2443 SER 50 HA -0.0012 0.0013 -0.0093 2444 SER 50 HB2 -0.0033 0.0017 -0.0095 2445 SER 50 HB3 -0.0027 0.0018 -0.0111 2446 SER 50 HG -0.0035 0.0018 -0.0102 2447 GLU 51 N -0.0001 0.0013 -0.0103 2448 GLU 51 CA 0.0009 0.0013 -0.0112 2449 GLU 51 C 0.0024 0.0009 -0.0106 2450 GLU 51 O 0.0035 0.0009 -0.0114 2451 GLU 51 CB 0.0007 0.0013 -0.0111 2452 GLU 51 CG -0.0008 0.0017 -0.0117 2453 GLU 51 CD -0.0006 0.0019 -0.0131 2454 GLU 51 OE1 0.0002 0.0019 -0.0140 2455 GLU 51 OE2 -0.0013 0.0020 -0.0131 2456 GLU 51 H -0.0008 0.0013 -0.0097 2457 GLU 51 HA 0.0009 0.0015 -0.0122 2458 GLU 51 HB2 0.0007 0.0011 -0.0100 2459 GLU 51 HB3 0.0015 0.0013 -0.0117 2460 GLU 51 HG2 -0.0013 0.0018 -0.0120 2461 GLU 51 HG3 -0.0014 0.0016 -0.0109 2462 ALA 52 N 0.0025 0.0007 -0.0092 2463 ALA 52 CA 0.0038 0.0004 -0.0086 2464 ALA 52 C 0.0044 0.0004 -0.0092 2465 ALA 52 O 0.0057 0.0002 -0.0093 2466 ALA 52 CB 0.0036 0.0001 -0.0070 2467 ALA 52 H 0.0016 0.0007 -0.0087 2468 ALA 52 HA 0.0046 0.0003 -0.0088 2469 ALA 52 HB1 0.0027 0.0002 -0.0067 2470 ALA 52 HB2 0.0034 0.0001 -0.0065 2471 ALA 52 HB3 0.0045 -0.0001 -0.0065 2472 GLY 53 N 0.0034 0.0006 -0.0096 2473 GLY 53 CA 0.0038 0.0006 -0.0101 2474 GLY 53 C 0.0030 0.0006 -0.0094 2475 GLY 53 O 0.0032 0.0007 -0.0099 2476 GLY 53 H 0.0024 0.0007 -0.0095 2477 GLY 53 HA2 0.0036 0.0009 -0.0113 2478 GLY 53 HA3 0.0050 0.0004 -0.0100 2479 LEU 54 N 0.0022 0.0006 -0.0083 2480 LEU 54 CA 0.0014 0.0006 -0.0076 2481 LEU 54 C 0.0003 0.0009 -0.0085 2482 LEU 54 O -0.0007 0.0012 -0.0090 2483 LEU 54 CB 0.0007 0.0005 -0.0062 2484 LEU 54 CG 0.0006 0.0003 -0.0050 2485 LEU 54 CD1 -0.0002 0.0002 -0.0037 2486 LEU 54 CD2 -0.0002 0.0005 -0.0054 2487 LEU 54 H 0.0020 0.0005 -0.0080 2488 LEU 54 HA 0.0021 0.0004 -0.0073 2489 LEU 54 HB2 0.0013 0.0003 -0.0059 2490 LEU 54 HB3 -0.0004 0.0007 -0.0064 2491 LEU 54 HG 0.0016 0.0000 -0.0047 2492 LEU 54 HD11 0.0005 -0.0000 -0.0032 2493 LEU 54 HD12 -0.0004 0.0000 -0.0029 2494 LEU 54 HD13 -0.0012 0.0004 -0.0040 2495 LEU 54 HD21 -0.0002 0.0003 -0.0046 2496 LEU 54 HD22 0.0003 0.0005 -0.0064 2497 LEU 54 HD23 -0.0013 0.0007 -0.0057 2498 ARG 55 N 0.0001 0.0010 -0.0038 2499 ARG 55 CA -0.0001 0.0011 -0.0039 2500 ARG 55 C -0.0003 0.0011 -0.0037 2501 ARG 55 O -0.0003 0.0010 -0.0035 2502 ARG 55 CB 0.0000 0.0010 -0.0041 2503 ARG 55 CG 0.0002 0.0009 -0.0039 2504 ARG 55 CD 0.0000 0.0010 -0.0038 2505 ARG 55 NE -0.0000 0.0010 -0.0040 2506 ARG 55 CZ -0.0002 0.0011 -0.0039 2507 ARG 55 NH1 -0.0003 0.0011 -0.0037 2508 ARG 55 NH2 -0.0002 0.0011 -0.0041 2509 ARG 55 H 0.0002 0.0009 -0.0037 2510 ARG 55 HA -0.0002 0.0011 -0.0041 2511 ARG 55 HB2 -0.0001 0.0011 -0.0041 2512 ARG 55 HB3 0.0002 0.0010 -0.0042 2513 ARG 55 HG2 0.0003 0.0009 -0.0040 2514 ARG 55 HG3 0.0002 0.0009 -0.0037 2515 ARG 55 HD2 0.0001 0.0009 -0.0036 2516 ARG 55 HD3 -0.0001 0.0010 -0.0037 2517 ARG 55 HE 0.0001 0.0010 -0.0042 2518 ARG 55 HH11 -0.0003 0.0010 -0.0036 2519 ARG 55 HH12 -0.0004 0.0011 -0.0037 2520 ARG 55 HH21 -0.0001 0.0011 -0.0043 2521 ARG 55 HH22 -0.0003 0.0012 -0.0041 2522 GLN 56 N -0.0005 0.0012 -0.0038 2523 GLN 56 CA -0.0007 0.0012 -0.0036 2524 GLN 56 C -0.0007 0.0012 -0.0036 2525 GLN 56 O -0.0007 0.0012 -0.0037 2526 GLN 56 CB -0.0010 0.0014 -0.0037 2527 GLN 56 CG -0.0012 0.0014 -0.0036 2528 GLN 56 CD -0.0014 0.0015 -0.0037 2529 GLN 56 OE1 -0.0014 0.0015 -0.0038 2530 GLN 56 NE2 -0.0017 0.0016 -0.0036 2531 GLN 56 H -0.0006 0.0012 -0.0039 2532 GLN 56 HA -0.0007 0.0012 -0.0034 2533 GLN 56 HB2 -0.0010 0.0014 -0.0038 2534 GLN 56 HB3 -0.0010 0.0014 -0.0039 2535 GLN 56 HG2 -0.0012 0.0014 -0.0035 2536 GLN 56 HG3 -0.0012 0.0014 -0.0034 2537 GLN 56 HE21 -0.0016 0.0016 -0.0035 2538 GLN 56 HE22 -0.0018 0.0017 -0.0037 2539 GLY 57 N -0.0008 0.0012 -0.0033 2540 GLY 57 CA -0.0008 0.0012 -0.0032 2541 GLY 57 C -0.0006 0.0011 -0.0032 2542 GLY 57 O -0.0005 0.0011 -0.0031 2543 GLY 57 H -0.0009 0.0012 -0.0032 2544 GLY 57 HA2 -0.0009 0.0012 -0.0031 2545 GLY 57 HA3 -0.0008 0.0012 -0.0034 2546 ASP 58 N -0.0004 0.0010 -0.0031 2547 ASP 58 CA -0.0002 0.0009 -0.0030 2548 ASP 58 C -0.0002 0.0008 -0.0027 2549 ASP 58 O -0.0003 0.0009 -0.0026 2550 ASP 58 CB 0.0000 0.0008 -0.0031 2551 ASP 58 CG 0.0003 0.0008 -0.0032 2552 ASP 58 OD1 0.0003 0.0007 -0.0030 2553 ASP 58 OD2 0.0004 0.0007 -0.0033 2554 ASP 58 H -0.0005 0.0010 -0.0031 2555 ASP 58 HA -0.0001 0.0009 -0.0031 2556 ASP 58 HB2 -0.0000 0.0009 -0.0033 2557 ASP 58 HB3 0.0000 0.0008 -0.0030 2558 LEU 59 N -0.0000 0.0008 -0.0026 2559 LEU 59 CA 0.0000 0.0007 -0.0023 2560 LEU 59 C 0.0002 0.0006 -0.0022 2561 LEU 59 O 0.0004 0.0005 -0.0023 2562 LEU 59 CB 0.0001 0.0007 -0.0022 2563 LEU 59 CG 0.0001 0.0006 -0.0020 2564 LEU 59 CD1 -0.0001 0.0006 -0.0018 2565 LEU 59 CD2 0.0003 0.0005 -0.0019 2566 LEU 59 H 0.0001 0.0007 -0.0027 2567 LEU 59 HA -0.0002 0.0008 -0.0022 2568 LEU 59 HB2 -0.0001 0.0007 -0.0022 2569 LEU 59 HB3 0.0002 0.0006 -0.0024 2570 LEU 59 HG 0.0002 0.0005 -0.0019 2571 LEU 59 HD11 -0.0002 0.0007 -0.0018 2572 LEU 59 HD12 -0.0000 0.0006 -0.0016 2573 LEU 59 HD13 -0.0002 0.0007 -0.0018 2574 LEU 59 HD21 0.0002 0.0006 -0.0020 2575 LEU 59 HD22 0.0003 0.0005 -0.0017 2576 LEU 59 HD23 0.0005 0.0005 -0.0021 2577 ILE 60 N 0.0001 0.0006 -0.0020 2578 ILE 60 CA 0.0003 0.0005 -0.0019 2579 ILE 60 C 0.0005 0.0004 -0.0017 2580 ILE 60 O 0.0003 0.0004 -0.0015 2581 ILE 60 CB 0.0002 0.0005 -0.0018 2582 ILE 60 CG1 0.0001 0.0006 -0.0020 2583 ILE 60 CG2 0.0004 0.0004 -0.0017 2584 ILE 60 CD1 -0.0002 0.0007 -0.0021 2585 ILE 60 H -0.0000 0.0006 -0.0020 2586 ILE 60 HA 0.0004 0.0005 -0.0021 2587 ILE 60 HB 0.0001 0.0006 -0.0017 2588 ILE 60 HG12 0.0000 0.0006 -0.0020 2589 ILE 60 HG13 0.0002 0.0006 -0.0022 2590 ILE 60 HG21 0.0005 0.0004 -0.0015 2591 ILE 60 HG22 0.0003 0.0005 -0.0016 2592 ILE 60 HG23 0.0005 0.0004 -0.0018 2593 ILE 60 HD11 -0.0003 0.0007 -0.0019 2594 ILE 60 HD12 -0.0002 0.0007 -0.0022 2595 ILE 60 HD13 -0.0003 0.0008 -0.0022 2596 THR 61 N -0.0001 0.0025 -0.0033 2597 THR 61 CA -0.0001 0.0026 -0.0034 2598 THR 61 C 0.0005 0.0022 -0.0026 2599 THR 61 O 0.0002 0.0017 -0.0025 2600 THR 61 CB 0.0002 0.0036 -0.0039 2601 THR 61 OG1 0.0010 0.0041 -0.0034 2602 THR 61 CG2 -0.0004 0.0040 -0.0046 2603 THR 61 H 0.0004 0.0029 -0.0032 2604 THR 61 HA -0.0007 0.0022 -0.0037 2605 THR 61 HB 0.0001 0.0036 -0.0040 2606 THR 61 HG1 0.0013 0.0040 -0.0031 2607 THR 61 HG21 -0.0002 0.0040 -0.0045 2608 THR 61 HG22 -0.0010 0.0036 -0.0049 2609 THR 61 HG23 -0.0002 0.0047 -0.0050 2610 HIS 62 N 0.0011 0.0023 -0.0021 2611 HIS 62 CA 0.0017 0.0020 -0.0013 2612 HIS 62 C 0.0021 0.0016 -0.0007 2613 HIS 62 O 0.0021 0.0019 -0.0009 2614 HIS 62 CB 0.0024 0.0028 -0.0012 2615 HIS 62 CG 0.0021 0.0032 -0.0018 2616 HIS 62 ND1 0.0020 0.0040 -0.0024 2617 HIS 62 CD2 0.0019 0.0029 -0.0018 2618 HIS 62 CE1 0.0018 0.0042 -0.0028 2619 HIS 62 NE2 0.0017 0.0035 -0.0024 2620 HIS 62 H 0.0013 0.0026 -0.0022 2621 HIS 62 HA 0.0014 0.0015 -0.0012 2622 HIS 62 HB2 0.0027 0.0033 -0.0013 2623 HIS 62 HB3 0.0028 0.0025 -0.0007 2624 HIS 62 HD2 0.0019 0.0023 -0.0014 2625 HIS 62 HE1 0.0016 0.0048 -0.0033 2626 HIS 62 HE2 0.0016 0.0036 -0.0026 2627 VAL 63 N 0.0024 0.0011 -0.0000 2628 VAL 63 CA 0.0028 0.0007 0.0006 2629 VAL 63 C 0.0036 0.0006 0.0013 2630 VAL 63 O 0.0035 0.0001 0.0016 2631 VAL 63 CB 0.0023 -0.0003 0.0007 2632 VAL 63 CG1 0.0019 -0.0009 0.0009 2633 VAL 63 CG2 0.0027 -0.0006 0.0014 2634 VAL 63 H 0.0024 0.0009 0.0001 2635 VAL 63 HA 0.0030 0.0011 0.0005 2636 VAL 63 HB 0.0018 -0.0002 0.0002 2637 VAL 63 HG11 0.0016 -0.0007 0.0004 2638 VAL 63 HG12 0.0015 -0.0016 0.0009 2639 VAL 63 HG13 0.0024 -0.0010 0.0014 2640 VAL 63 HG21 0.0023 -0.0013 0.0015 2641 VAL 63 HG22 0.0029 -0.0002 0.0012 2642 VAL 63 HG23 0.0033 -0.0006 0.0019 2643 ASN 64 N 0.0043 0.0012 0.0016 2644 ASN 64 CA 0.0050 0.0013 0.0023 2645 ASN 64 C 0.0051 0.0015 0.0022 2646 ASN 64 O 0.0055 0.0012 0.0027 2647 ASN 64 CB 0.0051 0.0003 0.0030 2648 ASN 64 CG 0.0057 0.0004 0.0035 2649 ASN 64 OD1 0.0059 0.0009 0.0033 2650 ASN 64 ND2 0.0061 -0.0002 0.0043 2651 ASN 64 H 0.0043 0.0016 0.0013 2652 ASN 64 HA 0.0055 0.0018 0.0024 2653 ASN 64 HB2 0.0046 -0.0002 0.0028 2654 ASN 64 HB3 0.0053 0.0001 0.0033 2655 ASN 64 HD21 0.0060 -0.0005 0.0044 2656 ASN 64 HD22 0.0065 -0.0002 0.0046 2657 GLY 65 N 0.0047 0.0020 0.0015 2658 GLY 65 CA 0.0048 0.0023 0.0013 2659 GLY 65 C 0.0042 0.0015 0.0013 2660 GLY 65 O 0.0044 0.0013 0.0016 2661 GLY 65 H 0.0045 0.0022 0.0010 2662 GLY 65 HA2 0.0046 0.0029 0.0007 2663 GLY 65 HA3 0.0054 0.0025 0.0017 2664 GLU 66 N 0.0035 0.0011 0.0009 2665 GLU 66 CA 0.0029 0.0003 0.0009 2666 GLU 66 C 0.0021 0.0003 0.0001 2667 GLU 66 O 0.0018 0.0001 0.0000 2668 GLU 66 CB 0.0030 -0.0005 0.0016 2669 GLU 66 CG 0.0027 -0.0013 0.0018 2670 GLU 66 CD 0.0031 -0.0010 0.0020 2671 GLU 66 OE1 0.0037 -0.0010 0.0026 2672 GLU 66 OE2 0.0026 -0.0008 0.0015 2673 GLU 66 H 0.0034 0.0013 0.0007 2674 GLU 66 HA 0.0030 0.0004 0.0009 2675 GLU 66 HB2 0.0036 -0.0004 0.0020 2676 GLU 66 HB3 0.0026 -0.0008 0.0014 2677 GLU 66 HG2 0.0029 -0.0018 0.0024 2678 GLU 66 HG3 0.0020 -0.0015 0.0014 2679 PRO 67 N 0.0003 0.0006 -0.0008 2680 PRO 67 CA -0.0000 0.0007 -0.0010 2681 PRO 67 C -0.0001 0.0004 -0.0009 2682 PRO 67 O -0.0002 0.0001 -0.0009 2683 PRO 67 CB -0.0002 0.0007 -0.0011 2684 PRO 67 CG -0.0000 0.0005 -0.0009 2685 PRO 67 CD 0.0003 0.0006 -0.0008 2686 PRO 67 HA 0.0000 0.0010 -0.0010 2687 PRO 67 HB2 -0.0005 0.0005 -0.0011 2688 PRO 67 HB3 -0.0003 0.0009 -0.0012 2689 PRO 67 HG2 -0.0001 0.0003 -0.0009 2690 PRO 67 HG3 -0.0001 0.0007 -0.0010 2691 PRO 67 HD2 0.0005 0.0004 -0.0006 2692 PRO 67 HD3 0.0004 0.0009 -0.0008 2693 VAL 68 N -0.0002 0.0005 -0.0010 2694 VAL 68 CA -0.0004 0.0003 -0.0010 2695 VAL 68 C -0.0008 0.0002 -0.0012 2696 VAL 68 O -0.0009 -0.0000 -0.0012 2697 VAL 68 CB -0.0003 0.0005 -0.0010 2698 VAL 68 CG1 0.0001 0.0006 -0.0009 2699 VAL 68 CG2 -0.0005 0.0008 -0.0012 2700 VAL 68 H -0.0002 0.0008 -0.0011 2701 VAL 68 HA -0.0003 0.0001 -0.0009 2702 VAL 68 HB -0.0004 0.0003 -0.0010 2703 VAL 68 HG11 0.0002 0.0007 -0.0009 2704 VAL 68 HG12 0.0002 0.0003 -0.0008 2705 VAL 68 HG13 0.0001 0.0007 -0.0009 2706 VAL 68 HG21 -0.0007 0.0008 -0.0013 2707 VAL 68 HG22 -0.0004 0.0010 -0.0012 2708 VAL 68 HG23 -0.0004 0.0009 -0.0012 2709 HIS 69 N -0.0009 0.0004 -0.0013 2710 HIS 69 CA -0.0012 0.0004 -0.0014 2711 HIS 69 C -0.0014 0.0000 -0.0014 2712 HIS 69 O -0.0013 -0.0001 -0.0014 2713 HIS 69 CB -0.0013 0.0007 -0.0015 2714 HIS 69 CG -0.0012 0.0010 -0.0016 2715 HIS 69 ND1 -0.0014 0.0013 -0.0018 2716 HIS 69 CD2 -0.0011 0.0012 -0.0016 2717 HIS 69 CE1 -0.0013 0.0016 -0.0018 2718 HIS 69 NE2 -0.0012 0.0015 -0.0017 2719 HIS 69 H -0.0007 0.0006 -0.0013 2720 HIS 69 HA -0.0014 0.0005 -0.0015 2721 HIS 69 HB2 -0.0010 0.0006 -0.0014 2722 HIS 69 HB3 -0.0015 0.0006 -0.0016 2723 HIS 69 HD2 -0.0010 0.0011 -0.0015 2724 HIS 69 HE1 -0.0014 0.0018 -0.0019 2725 HIS 69 HE2 -0.0011 0.0017 -0.0018 2726 GLY 70 N -0.0015 -0.0002 -0.0014 2727 GLY 70 CA -0.0017 -0.0006 -0.0014 2728 GLY 70 C -0.0015 -0.0008 -0.0012 2729 GLY 70 O -0.0016 -0.0012 -0.0012 2730 GLY 70 H -0.0015 -0.0001 -0.0014 2731 GLY 70 HA2 -0.0019 -0.0006 -0.0015 2732 GLY 70 HA3 -0.0016 -0.0006 -0.0014 2733 LEU 71 N -0.0012 -0.0007 -0.0011 2734 LEU 71 CA -0.0010 -0.0010 -0.0010 2735 LEU 71 C -0.0011 -0.0011 -0.0010 2736 LEU 71 O -0.0013 -0.0008 -0.0011 2737 LEU 71 CB -0.0006 -0.0008 -0.0008 2738 LEU 71 CG -0.0004 -0.0007 -0.0008 2739 LEU 71 CD1 -0.0000 -0.0006 -0.0006 2740 LEU 71 CD2 -0.0004 -0.0010 -0.0007 2741 LEU 71 H -0.0011 -0.0005 -0.0012 2742 LEU 71 HA -0.0010 -0.0012 -0.0009 2743 LEU 71 HB2 -0.0006 -0.0005 -0.0009 2744 LEU 71 HB3 -0.0005 -0.0010 -0.0007 2745 LEU 71 HG -0.0005 -0.0005 -0.0009 2746 LEU 71 HD11 0.0001 -0.0004 -0.0006 2747 LEU 71 HD12 0.0001 -0.0008 -0.0005 2748 LEU 71 HD13 -0.0000 -0.0004 -0.0007 2749 LEU 71 HD21 -0.0004 -0.0013 -0.0006 2750 LEU 71 HD22 -0.0002 -0.0010 -0.0006 2751 LEU 71 HD23 -0.0007 -0.0011 -0.0008 2752 VAL 72 N -0.0011 -0.0014 -0.0009 2753 VAL 72 CA -0.0013 -0.0015 -0.0009 2754 VAL 72 C -0.0010 -0.0014 -0.0009 2755 VAL 72 O -0.0007 -0.0012 -0.0008 2756 VAL 72 CB -0.0013 -0.0019 -0.0008 2757 VAL 72 CG1 -0.0010 -0.0021 -0.0006 2758 VAL 72 CG2 -0.0016 -0.0021 -0.0009 2759 VAL 72 H -0.0010 -0.0016 -0.0008 2760 VAL 72 HA -0.0015 -0.0014 -0.0011 2761 VAL 72 HB -0.0014 -0.0020 -0.0008 2762 VAL 72 HG11 -0.0010 -0.0021 -0.0007 2763 VAL 72 HG12 -0.0008 -0.0020 -0.0006 2764 VAL 72 HG13 -0.0010 -0.0024 -0.0006 2765 VAL 72 HG21 -0.0017 -0.0023 -0.0009 2766 VAL 72 HG22 -0.0018 -0.0019 -0.0011 2767 VAL 72 HG23 -0.0016 -0.0020 -0.0009 2768 HIS 73 N -0.0018 -0.0017 0.0004 2769 HIS 73 CA -0.0018 -0.0017 0.0004 2770 HIS 73 C -0.0016 -0.0017 0.0008 2771 HIS 73 O -0.0013 -0.0016 0.0007 2772 HIS 73 CB -0.0023 -0.0020 0.0003 2773 HIS 73 CG -0.0023 -0.0020 0.0002 2774 HIS 73 ND1 -0.0023 -0.0018 -0.0002 2775 HIS 73 CD2 -0.0023 -0.0021 0.0005 2776 HIS 73 CE1 -0.0024 -0.0018 -0.0001 2777 HIS 73 NE2 -0.0024 -0.0020 0.0003 2778 HIS 73 H -0.0020 -0.0018 0.0003 2779 HIS 73 HA -0.0017 -0.0015 0.0001 2780 HIS 73 HB2 -0.0024 -0.0019 0.0000 2781 HIS 73 HB3 -0.0024 -0.0022 0.0006 2782 HIS 73 HD1 -0.0023 -0.0016 -0.0004 2783 HIS 73 HD2 -0.0023 -0.0023 0.0008 2784 HIS 73 HE1 -0.0024 -0.0017 -0.0003 2785 THR 74 N -0.0016 -0.0020 0.0011 2786 THR 74 CA -0.0015 -0.0021 0.0015 2787 THR 74 C -0.0010 -0.0019 0.0017 2788 THR 74 O -0.0008 -0.0018 0.0020 2789 THR 74 CB -0.0017 -0.0024 0.0019 2790 THR 74 OG1 -0.0016 -0.0024 0.0020 2791 THR 74 CG2 -0.0021 -0.0026 0.0017 2792 THR 74 H -0.0018 -0.0021 0.0011 2793 THR 74 HA -0.0015 -0.0021 0.0015 2794 THR 74 HB -0.0016 -0.0025 0.0021 2795 THR 74 HG1 -0.0018 -0.0027 0.0022 2796 THR 74 HG21 -0.0022 -0.0027 0.0017 2797 THR 74 HG22 -0.0023 -0.0028 0.0018 2798 THR 74 HG23 -0.0022 -0.0025 0.0013 2799 GLU 75 N -0.0009 -0.0017 0.0015 2800 GLU 75 CA -0.0005 -0.0015 0.0017 2801 GLU 75 C -0.0002 -0.0012 0.0015 2802 GLU 75 O 0.0001 -0.0011 0.0017 2803 GLU 75 CB -0.0004 -0.0014 0.0016 2804 GLU 75 CG -0.0005 -0.0016 0.0019 2805 GLU 75 CD -0.0004 -0.0015 0.0018 2806 GLU 75 OE1 -0.0006 -0.0015 0.0015 2807 GLU 75 OE2 -0.0001 -0.0014 0.0020 2808 GLU 75 H -0.0011 -0.0017 0.0013 2809 GLU 75 HA -0.0004 -0.0016 0.0020 2810 GLU 75 HB2 -0.0006 -0.0014 0.0013 2811 GLU 75 HB3 -0.0001 -0.0012 0.0015 2812 GLU 75 HG2 -0.0003 -0.0016 0.0022 2813 GLU 75 HG3 -0.0008 -0.0018 0.0019 2814 VAL 76 N -0.0003 -0.0011 0.0011 2815 VAL 76 CA -0.0001 -0.0008 0.0009 2816 VAL 76 C -0.0000 -0.0009 0.0011 2817 VAL 76 O 0.0003 -0.0007 0.0012 2818 VAL 76 CB -0.0003 -0.0007 0.0004 2819 VAL 76 CG1 -0.0002 -0.0005 0.0002 2820 VAL 76 CG2 -0.0007 -0.0009 0.0003 2821 VAL 76 H -0.0006 -0.0012 0.0009 2822 VAL 76 HA 0.0002 -0.0006 0.0010 2823 VAL 76 HB -0.0001 -0.0005 0.0003 2824 VAL 76 HG11 -0.0004 -0.0007 0.0003 2825 VAL 76 HG12 0.0001 -0.0003 0.0003 2826 VAL 76 HG13 -0.0003 -0.0004 -0.0002 2827 VAL 76 HG21 -0.0008 -0.0011 0.0005 2828 VAL 76 HG22 -0.0009 -0.0009 0.0000 2829 VAL 76 HG23 -0.0007 -0.0009 0.0002 2830 VAL 77 N -0.0004 -0.0012 0.0012 2831 VAL 77 CA -0.0004 -0.0013 0.0014 2832 VAL 77 C -0.0001 -0.0013 0.0018 2833 VAL 77 O 0.0001 -0.0012 0.0020 2834 VAL 77 CB -0.0008 -0.0016 0.0014 2835 VAL 77 CG1 -0.0009 -0.0017 0.0016 2836 VAL 77 CG2 -0.0011 -0.0016 0.0010 2837 VAL 77 H -0.0006 -0.0013 0.0010 2838 VAL 77 HA -0.0003 -0.0011 0.0012 2839 VAL 77 HB -0.0009 -0.0018 0.0016 2840 VAL 77 HG11 -0.0011 -0.0020 0.0018 2841 VAL 77 HG12 -0.0009 -0.0016 0.0014 2842 VAL 77 HG13 -0.0006 -0.0017 0.0019 2843 VAL 77 HG21 -0.0012 -0.0015 0.0009 2844 VAL 77 HG22 -0.0010 -0.0014 0.0007 2845 VAL 77 HG23 -0.0014 -0.0018 0.0010 2846 GLU 78 N -0.0001 -0.0015 0.0021 2847 GLU 78 CA 0.0002 -0.0015 0.0025 2848 GLU 78 C 0.0006 -0.0012 0.0025 2849 GLU 78 O 0.0008 -0.0012 0.0027 2850 GLU 78 CB 0.0001 -0.0017 0.0027 2851 GLU 78 CG -0.0003 -0.0020 0.0029 2852 GLU 78 CD -0.0003 -0.0022 0.0032 2853 GLU 78 OE1 -0.0001 -0.0023 0.0036 2854 GLU 78 OE2 -0.0005 -0.0023 0.0031 2855 GLU 78 H -0.0003 -0.0015 0.0019 2856 GLU 78 HA 0.0001 -0.0016 0.0027 2857 GLU 78 HB2 -0.0000 -0.0016 0.0025 2858 GLU 78 HB3 0.0003 -0.0016 0.0030 2859 GLU 78 HG2 -0.0003 -0.0021 0.0031 2860 GLU 78 HG3 -0.0006 -0.0021 0.0027 2861 LEU 79 N 0.0008 -0.0024 0.0040 2862 LEU 79 CA 0.0017 -0.0015 0.0039 2863 LEU 79 C 0.0021 -0.0012 0.0040 2864 LEU 79 O 0.0029 -0.0008 0.0045 2865 LEU 79 CB 0.0017 -0.0010 0.0029 2866 LEU 79 CG 0.0023 -0.0005 0.0030 2867 LEU 79 CD1 0.0033 -0.0000 0.0037 2868 LEU 79 CD2 0.0020 -0.0011 0.0035 2869 LEU 79 H 0.0003 -0.0025 0.0035 2870 LEU 79 HA 0.0021 -0.0015 0.0046 2871 LEU 79 HB2 0.0010 -0.0014 0.0025 2872 LEU 79 HB3 0.0019 -0.0006 0.0024 2873 LEU 79 HG 0.0024 -0.0001 0.0023 2874 LEU 79 HD11 0.0033 -0.0005 0.0045 2875 LEU 79 HD12 0.0035 0.0003 0.0034 2876 LEU 79 HD13 0.0037 0.0004 0.0037 2877 LEU 79 HD21 0.0013 -0.0014 0.0030 2878 LEU 79 HD22 0.0020 -0.0015 0.0043 2879 LEU 79 HD23 0.0024 -0.0007 0.0035 2880 ILE 80 N 0.0015 -0.0014 0.0034 2881 ILE 80 CA 0.0018 -0.0012 0.0034 2882 ILE 80 C 0.0020 -0.0016 0.0044 2883 ILE 80 O 0.0027 -0.0012 0.0048 2884 ILE 80 CB 0.0011 -0.0013 0.0025 2885 ILE 80 CG1 0.0011 -0.0007 0.0015 2886 ILE 80 CG2 0.0012 -0.0013 0.0026 2887 ILE 80 CD1 0.0002 -0.0010 0.0006 2888 ILE 80 H 0.0009 -0.0018 0.0031 2889 ILE 80 HA 0.0024 -0.0005 0.0032 2890 ILE 80 HB 0.0004 -0.0019 0.0026 2891 ILE 80 HG12 0.0015 -0.0002 0.0012 2892 ILE 80 HG13 0.0013 -0.0006 0.0015 2893 ILE 80 HG21 0.0010 -0.0018 0.0033 2894 ILE 80 HG22 0.0008 -0.0012 0.0019 2895 ILE 80 HG23 0.0019 -0.0007 0.0028 2896 ILE 80 HD11 0.0002 -0.0006 -0.0001 2897 ILE 80 HD12 -0.0001 -0.0012 0.0005 2898 ILE 80 HD13 -0.0003 -0.0016 0.0008 2899 LEU 81 N 0.0013 -0.0024 0.0049 2900 LEU 81 CA 0.0014 -0.0029 0.0059 2901 LEU 81 C 0.0022 -0.0026 0.0067 2902 LEU 81 O 0.0027 -0.0026 0.0074 2903 LEU 81 CB 0.0006 -0.0038 0.0062 2904 LEU 81 CG -0.0003 -0.0041 0.0054 2905 LEU 81 CD1 -0.0011 -0.0050 0.0057 2906 LEU 81 CD2 -0.0003 -0.0040 0.0052 2907 LEU 81 H 0.0008 -0.0027 0.0045 2908 LEU 81 HA 0.0015 -0.0028 0.0058 2909 LEU 81 HB2 0.0005 -0.0039 0.0063 2910 LEU 81 HB3 0.0007 -0.0041 0.0069 2911 LEU 81 HG -0.0004 -0.0038 0.0047 2912 LEU 81 HD11 -0.0011 -0.0051 0.0059 2913 LEU 81 HD12 -0.0017 -0.0052 0.0052 2914 LEU 81 HD13 -0.0010 -0.0053 0.0065 2915 LEU 81 HD21 -0.0000 -0.0041 0.0059 2916 LEU 81 HD22 -0.0009 -0.0043 0.0047 2917 LEU 81 HD23 0.0002 -0.0033 0.0047 2918 LYS 82 N 0.0024 -0.0024 0.0066 2919 LYS 82 CA 0.0031 -0.0022 0.0073 2920 LYS 82 C 0.0040 -0.0014 0.0074 2921 LYS 82 O 0.0047 -0.0013 0.0082 2922 LYS 82 CB 0.0031 -0.0020 0.0070 2923 LYS 82 CG 0.0036 -0.0020 0.0078 2924 LYS 82 CD 0.0038 -0.0016 0.0073 2925 LYS 82 CE 0.0029 -0.0021 0.0068 2926 LYS 82 NZ 0.0030 -0.0019 0.0066 2927 LYS 82 H 0.0020 -0.0025 0.0060 2928 LYS 82 HA 0.0031 -0.0027 0.0081 2929 LYS 82 HB2 0.0024 -0.0025 0.0067 2930 LYS 82 HB3 0.0034 -0.0014 0.0064 2931 LYS 82 HG2 0.0042 -0.0017 0.0082 2932 LYS 82 HG3 0.0032 -0.0027 0.0083 2933 LYS 82 HD2 0.0041 -0.0010 0.0067 2934 LYS 82 HD3 0.0042 -0.0016 0.0079 2935 LYS 82 HE2 0.0024 -0.0027 0.0072 2936 LYS 82 HE3 0.0026 -0.0019 0.0060 2937 LYS 82 HZ1 0.0031 -0.0022 0.0074 2938 LYS 82 HZ2 0.0035 -0.0013 0.0064 2939 LYS 82 HZ3 0.0024 -0.0021 0.0061 2940 SER 83 N 0.0041 -0.0009 0.0065 2941 SER 83 CA 0.0049 -0.0001 0.0064 2942 SER 83 C 0.0052 -0.0002 0.0071 2943 SER 83 O 0.0060 0.0002 0.0076 2944 SER 83 CB 0.0048 0.0004 0.0053 2945 SER 83 OG 0.0056 0.0012 0.0052 2946 SER 83 H 0.0036 -0.0009 0.0059 2947 SER 83 HA 0.0055 0.0002 0.0066 2948 SER 83 HB2 0.0046 0.0005 0.0048 2949 SER 83 HB3 0.0043 0.0001 0.0050 2950 SER 83 HG 0.0055 0.0012 0.0049 2951 GLY 84 N 0.0046 -0.0009 0.0072 2952 GLY 84 CA 0.0048 -0.0010 0.0079 2953 GLY 84 C 0.0044 -0.0011 0.0074 2954 GLY 84 O 0.0036 -0.0016 0.0070 2955 GLY 84 H 0.0040 -0.0012 0.0069 2956 GLY 84 HA2 0.0046 -0.0016 0.0086 2957 GLY 84 HA3 0.0055 -0.0005 0.0082 2958 ASN 85 N 0.0058 -0.0028 0.0078 2959 ASN 85 CA 0.0055 -0.0027 0.0073 2960 ASN 85 C 0.0055 -0.0018 0.0062 2961 ASN 85 O 0.0054 -0.0015 0.0057 2962 ASN 85 CB 0.0063 -0.0025 0.0079 2963 ASN 85 CG 0.0074 -0.0018 0.0081 2964 ASN 85 OD1 0.0078 -0.0010 0.0074 2965 ASN 85 ND2 0.0080 -0.0020 0.0089 2966 ASN 85 H 0.0065 -0.0025 0.0081 2967 ASN 85 HA 0.0048 -0.0032 0.0073 2968 ASN 85 HB2 0.0061 -0.0024 0.0075 2969 ASN 85 HB3 0.0062 -0.0031 0.0087 2970 ASN 85 HD21 0.0076 -0.0026 0.0094 2971 ASN 85 HD22 0.0087 -0.0015 0.0090 2972 LYS 86 N 0.0056 -0.0015 0.0058 2973 LYS 86 CA 0.0055 -0.0008 0.0048 2974 LYS 86 C 0.0053 -0.0007 0.0045 2975 LYS 86 O 0.0052 -0.0013 0.0051 2976 LYS 86 CB 0.0066 0.0001 0.0047 2977 LYS 86 CG 0.0075 0.0002 0.0055 2978 LYS 86 CD 0.0084 0.0012 0.0051 2979 LYS 86 CE 0.0094 0.0014 0.0059 2980 LYS 86 NZ 0.0093 0.0011 0.0060 2981 LYS 86 H 0.0057 -0.0018 0.0063 2982 LYS 86 HA 0.0049 -0.0008 0.0042 2983 LYS 86 HB2 0.0065 0.0006 0.0039 2984 LYS 86 HB3 0.0067 0.0001 0.0048 2985 LYS 86 HG2 0.0078 -0.0001 0.0062 2986 LYS 86 HG3 0.0073 -0.0001 0.0056 2987 LYS 86 HD2 0.0082 0.0015 0.0044 2988 LYS 86 HD3 0.0086 0.0015 0.0049 2989 LYS 86 HE2 0.0100 0.0020 0.0056 2990 LYS 86 HE3 0.0096 0.0009 0.0066 2991 LYS 86 HZ1 0.0089 0.0014 0.0053 2992 LYS 86 HZ2 0.0088 0.0005 0.0065 2993 LYS 86 HZ3 0.0100 0.0014 0.0064 2994 VAL 87 N 0.0052 -0.0001 0.0035 2995 VAL 87 CA 0.0049 -0.0000 0.0031 2996 VAL 87 C 0.0050 0.0008 0.0021 2997 VAL 87 O 0.0048 0.0012 0.0014 2998 VAL 87 CB 0.0038 -0.0008 0.0031 2999 VAL 87 CG1 0.0030 -0.0008 0.0022 3000 VAL 87 CG2 0.0036 -0.0009 0.0029 3001 VAL 87 H 0.0053 0.0003 0.0030 3002 VAL 87 HA 0.0055 -0.0000 0.0037 3003 VAL 87 HB 0.0038 -0.0014 0.0038 3004 VAL 87 HG11 0.0031 -0.0009 0.0024 3005 VAL 87 HG12 0.0022 -0.0014 0.0022 3006 VAL 87 HG13 0.0031 -0.0002 0.0015 3007 VAL 87 HG21 0.0039 -0.0002 0.0023 3008 VAL 87 HG22 0.0028 -0.0014 0.0027 3009 VAL 87 HG23 0.0041 -0.0010 0.0036 3010 ALA 88 N 0.0053 0.0012 0.0019 3011 ALA 88 CA 0.0055 0.0020 0.0009 3012 ALA 88 C 0.0045 0.0018 0.0002 3013 ALA 88 O 0.0043 0.0016 0.0002 3014 ALA 88 CB 0.0064 0.0025 0.0011 3015 ALA 88 H 0.0055 0.0009 0.0025 3016 ALA 88 HA 0.0056 0.0024 0.0006 3017 ALA 88 HB1 0.0071 0.0027 0.0016 3018 ALA 88 HB2 0.0064 0.0031 0.0004 3019 ALA 88 HB3 0.0062 0.0022 0.0015 3020 ILE 89 N 0.0038 0.0018 -0.0005 3021 ILE 89 CA 0.0028 0.0016 -0.0013 3022 ILE 89 C 0.0030 0.0025 -0.0022 3023 ILE 89 O 0.0032 0.0031 -0.0029 3024 ILE 89 CB 0.0019 0.0011 -0.0016 3025 ILE 89 CG1 0.0010 0.0010 -0.0024 3026 ILE 89 CG2 0.0022 0.0017 -0.0019 3027 ILE 89 CD1 -0.0000 0.0003 -0.0024 3028 ILE 89 H 0.0039 0.0019 -0.0005 3029 ILE 89 HA 0.0026 0.0012 -0.0009 3030 ILE 89 HB 0.0018 0.0005 -0.0009 3031 ILE 89 HG12 0.0010 0.0016 -0.0032 3032 ILE 89 HG13 0.0009 0.0008 -0.0022 3033 ILE 89 HG21 0.0029 0.0017 -0.0013 3034 ILE 89 HG22 0.0016 0.0013 -0.0022 3035 ILE 89 HG23 0.0025 0.0023 -0.0026 3036 ILE 89 HD11 -0.0006 0.0004 -0.0032 3037 ILE 89 HD12 0.0001 0.0004 -0.0024 3038 ILE 89 HD13 -0.0002 -0.0003 -0.0018 3039 SER 90 N 0.0029 0.0025 -0.0024 3040 SER 90 CA 0.0031 0.0033 -0.0033 3041 SER 90 C 0.0021 0.0032 -0.0042 3042 SER 90 O 0.0014 0.0027 -0.0042 3043 SER 90 CB 0.0036 0.0035 -0.0030 3044 SER 90 OG 0.0043 0.0044 -0.0035 3045 SER 90 H 0.0028 0.0020 -0.0019 3046 SER 90 HA 0.0036 0.0039 -0.0035 3047 SER 90 HB2 0.0040 0.0031 -0.0021 3048 SER 90 HB3 0.0030 0.0032 -0.0032 3049 SER 90 HG 0.0044 0.0047 -0.0038 3050 THR 91 N -0.0005 0.0022 -0.0056 3051 THR 91 CA 0.0007 0.0024 -0.0042 3052 THR 91 C -0.0001 0.0015 -0.0027 3053 THR 91 O -0.0016 0.0007 -0.0027 3054 THR 91 CB 0.0018 0.0028 -0.0035 3055 THR 91 OG1 0.0008 0.0021 -0.0028 3056 THR 91 CG2 0.0027 0.0037 -0.0049 3057 THR 91 H -0.0011 0.0018 -0.0055 3058 THR 91 HA 0.0015 0.0030 -0.0046 3059 THR 91 HB 0.0026 0.0029 -0.0024 3060 THR 91 HG1 0.0013 0.0020 -0.0017 3061 THR 91 HG21 0.0018 0.0036 -0.0060 3062 THR 91 HG22 0.0034 0.0042 -0.0053 3063 THR 91 HG23 0.0034 0.0040 -0.0044 3064 THR 92 N 0.0008 0.0016 -0.0014 3065 THR 92 CA 0.0001 0.0008 0.0000 3066 THR 92 C 0.0002 0.0003 0.0017 3067 THR 92 O 0.0015 0.0008 0.0026 3068 THR 92 CB 0.0009 0.0011 0.0005 3069 THR 92 OG1 0.0002 0.0003 0.0019 3070 THR 92 CG2 0.0027 0.0019 0.0010 3071 THR 92 H 0.0020 0.0022 -0.0013 3072 THR 92 HA -0.0012 0.0002 -0.0004 3073 THR 92 HB 0.0006 0.0013 -0.0007 3074 THR 92 HG1 0.0009 0.0003 0.0030 3075 THR 92 HG21 0.0030 0.0017 0.0022 3076 THR 92 HG22 0.0032 0.0025 -0.0001 3077 THR 92 HG23 0.0032 0.0021 0.0011 3078 PRO 93 N -0.0011 -0.0005 0.0021 3079 PRO 93 CA -0.0012 -0.0011 0.0037 3080 PRO 93 C -0.0005 -0.0012 0.0054 3081 PRO 93 O -0.0001 -0.0010 0.0053 3082 PRO 93 CB -0.0030 -0.0020 0.0037 3083 PRO 93 CG -0.0037 -0.0019 0.0018 3084 PRO 93 CD -0.0027 -0.0011 0.0010 3085 PRO 93 HA -0.0005 -0.0007 0.0037 3086 PRO 93 HB2 -0.0035 -0.0026 0.0045 3087 PRO 93 HB3 -0.0031 -0.0023 0.0043 3088 PRO 93 HG2 -0.0049 -0.0025 0.0017 3089 PRO 93 HG3 -0.0036 -0.0016 0.0013 3090 PRO 93 HD2 -0.0033 -0.0014 0.0009 3091 PRO 93 HD3 -0.0026 -0.0006 -0.0003 3092 LEU 94 N -0.0004 -0.0016 0.0069 3093 LEU 94 CA 0.0002 -0.0018 0.0086 3094 LEU 94 C -0.0009 -0.0026 0.0091 3095 LEU 94 O -0.0023 -0.0031 0.0083 3096 LEU 94 CB 0.0004 -0.0021 0.0100 3097 LEU 94 CG -0.0001 -0.0022 0.0094 3098 LEU 94 CD1 -0.0019 -0.0031 0.0092 3099 LEU 94 CD2 0.0008 -0.0021 0.0107 3100 LEU 94 H -0.0007 -0.0018 0.0068 3101 LEU 94 HA 0.0014 -0.0011 0.0085 3102 LEU 94 HB2 -0.0003 -0.0028 0.0110 3103 LEU 94 HB3 0.0017 -0.0016 0.0106 3104 LEU 94 HG 0.0003 -0.0016 0.0081 3105 LEU 94 HD11 -0.0024 -0.0030 0.0079 3106 LEU 94 HD12 -0.0022 -0.0033 0.0094 3107 LEU 94 HD13 -0.0023 -0.0037 0.0102 3108 LEU 94 HD21 0.0021 -0.0014 0.0108 3109 LEU 94 HD22 0.0004 -0.0027 0.0120 3110 LEU 94 HD23 0.0005 -0.0021 0.0102 3111 GLU 95 N -0.0003 -0.0026 0.0104 3112 GLU 95 CA -0.0013 -0.0034 0.0111 3113 GLU 95 C -0.0006 -0.0036 0.0130 3114 GLU 95 O 0.0007 -0.0031 0.0137 3115 GLU 95 CB -0.0012 -0.0030 0.0100 3116 GLU 95 CG 0.0004 -0.0021 0.0102 3117 GLU 95 CD 0.0017 -0.0012 0.0093 3118 GLU 95 OE1 0.0016 -0.0007 0.0077 3119 GLU 95 OE2 0.0028 -0.0009 0.0102 3120 GLU 95 H 0.0008 -0.0022 0.0110 3121 GLU 95 HA -0.0025 -0.0040 0.0110 3122 GLU 95 HB2 -0.0021 -0.0036 0.0103 3123 GLU 95 HB3 -0.0015 -0.0027 0.0086 3124 GLU 95 HG2 0.0009 -0.0023 0.0116 3125 GLU 95 HG3 0.0003 -0.0021 0.0096 3126 ASN 96 N -0.0016 -0.0044 0.0139 3127 ASN 96 CA -0.0012 -0.0047 0.0158 3128 ASN 96 C 0.0000 -0.0041 0.0160 3129 ASN 96 O 0.0001 -0.0037 0.0147 3130 ASN 96 CB -0.0026 -0.0058 0.0166 3131 ASN 96 CG -0.0034 -0.0060 0.0159 3132 ASN 96 OD1 -0.0031 -0.0061 0.0166 3133 ASN 96 ND2 -0.0046 -0.0062 0.0145 3134 ASN 96 OXT 0.0009 -0.0041 0.0174 3135 ASN 96 H -0.0027 -0.0048 0.0133 3136 ASN 96 HA -0.0006 -0.0046 0.0164 3137 ASN 96 HB2 -0.0023 -0.0060 0.0180 3138 ASN 96 HB3 -0.0035 -0.0062 0.0164 3139 ASN 96 HD21 -0.0048 -0.0062 0.0140 3140 ASN 96 HD22 -0.0051 -0.0064 0.0140 3141 SER 101 N 0.0005 -0.0090 0.0167 3142 SER 101 CA 0.0034 -0.0078 0.0163 3143 SER 101 C 0.0042 -0.0061 0.0141 3144 SER 101 O 0.0038 -0.0050 0.0119 3145 SER 101 CB 0.0037 -0.0074 0.0160 3146 SER 101 OG 0.0024 -0.0089 0.0178 3147 SER 101 H1 0.0004 -0.0093 0.0171 3148 SER 101 H2 0.0000 -0.0101 0.0182 3149 SER 101 H3 -0.0009 -0.0085 0.0150 3150 SER 101 HA 0.0048 -0.0083 0.0181 3151 SER 101 HB2 0.0027 -0.0067 0.0140 3152 SER 101 HB3 0.0059 -0.0068 0.0162 3153 SER 101 HG 0.0038 -0.0090 0.0188 3154 TRP 102 N 0.0053 -0.0060 0.0146 3155 TRP 102 CA 0.0062 -0.0046 0.0126 3156 TRP 102 C 0.0090 -0.0042 0.0136 3157 TRP 102 O 0.0094 -0.0052 0.0156 3158 TRP 102 CB 0.0039 -0.0048 0.0117 3159 TRP 102 CG 0.0049 -0.0035 0.0101 3160 TRP 102 CD1 0.0059 -0.0019 0.0078 3161 TRP 102 CD2 0.0051 -0.0038 0.0106 3162 TRP 102 NE1 0.0067 -0.0011 0.0069 3163 TRP 102 CE2 0.0062 -0.0023 0.0086 3164 TRP 102 CE3 0.0044 -0.0052 0.0126 3165 TRP 102 CZ2 0.0066 -0.0021 0.0086 3166 TRP 102 CZ3 0.0048 -0.0051 0.0126 3167 TRP 102 CH2 0.0059 -0.0035 0.0106 3168 TRP 102 H 0.0056 -0.0070 0.0164 3169 TRP 102 HA 0.0064 -0.0035 0.0110 3170 TRP 102 HB2 0.0022 -0.0048 0.0105 3171 TRP 102 HB3 0.0033 -0.0060 0.0133 3172 TRP 102 HD1 0.0061 -0.0013 0.0069 3173 TRP 102 HE1 0.0075 0.0001 0.0054 3174 TRP 102 HE3 0.0035 -0.0065 0.0142 3175 TRP 102 HZ2 0.0074 -0.0009 0.0071 3176 TRP 102 HZ3 0.0042 -0.0062 0.0141 3177 TRP 102 HH2 0.0062 -0.0034 0.0106 3178 GLU 103 N 0.0110 -0.0026 0.0122 3179 GLU 103 CA 0.0138 -0.0021 0.0129 3180 GLU 103 C 0.0137 -0.0017 0.0122 3181 GLU 103 O 0.0132 -0.0027 0.0137 3182 GLU 103 CB 0.0160 -0.0006 0.0117 3183 GLU 103 CG 0.0167 -0.0009 0.0128 3184 GLU 103 CD 0.0146 -0.0011 0.0118 3185 GLU 103 OE1 0.0144 0.0002 0.0094 3186 GLU 103 OE2 0.0132 -0.0025 0.0133 3187 GLU 103 H 0.0106 -0.0018 0.0106 3188 GLU 103 HA 0.0143 -0.0031 0.0150 3189 GLU 103 HB2 0.0152 0.0004 0.0096 3190 GLU 103 HB3 0.0179 -0.0000 0.0119 3191 GLU 103 HG2 0.0188 0.0000 0.0123 3192 GLU 103 HG3 0.0169 -0.0021 0.0148 3193 SER 104 N 0.0141 -0.0001 0.0098 3194 SER 104 CA 0.0142 0.0004 0.0088 3195 SER 104 C 0.0129 0.0017 0.0060 3196 SER 104 O 0.0116 0.0018 0.0049 3197 SER 104 CB 0.0171 0.0013 0.0093 3198 SER 104 OG 0.0185 0.0003 0.0118 3199 SER 104 H 0.0145 0.0007 0.0087 3200 SER 104 HA 0.0129 -0.0006 0.0099 3201 SER 104 HB2 0.0183 0.0025 0.0079 3202 SER 104 HB3 0.0171 0.0014 0.0090 3203 SER 104 HG 0.0204 0.0008 0.0120 3204 HIS 105 N 0.0133 0.0025 0.0047 3205 HIS 105 CA 0.0121 0.0037 0.0020 3206 HIS 105 C 0.0134 0.0051 0.0004 3207 HIS 105 O 0.0159 0.0060 0.0004 3208 HIS 105 CB 0.0127 0.0045 0.0011 3209 HIS 105 CG 0.0104 0.0035 0.0014 3210 HIS 105 ND1 0.0105 0.0023 0.0035 3211 HIS 105 CD2 0.0081 0.0037 -0.0003 3212 HIS 105 CE1 0.0082 0.0017 0.0031 3213 HIS 105 NE2 0.0066 0.0025 0.0008 3214 HIS 105 H 0.0144 0.0024 0.0057 3215 HIS 105 HA 0.0099 0.0031 0.0018 3216 HIS 105 HB2 0.0147 0.0045 0.0023 3217 HIS 105 HB3 0.0130 0.0057 -0.0009 3218 HIS 105 HD2 0.0074 0.0045 -0.0022 3219 HIS 105 HE1 0.0076 0.0007 0.0045 3220 HIS 105 HE2 0.0050 0.0025 -0.0001 3221 LYS 106 N 0.0115 0.0053 -0.0011 3222 LYS 106 CA 0.0123 0.0066 -0.0028 3223 LYS 106 C 0.0105 0.0075 -0.0054 3224 LYS 106 O 0.0106 0.0085 -0.0071 3225 LYS 106 CB 0.0121 0.0059 -0.0017 3226 LYS 106 CG 0.0140 0.0051 0.0009 3227 LYS 106 CD 0.0139 0.0046 0.0017 3228 LYS 106 CE 0.0158 0.0037 0.0042 3229 LYS 106 NZ 0.0160 0.0034 0.0049 3230 LYS 106 H 0.0095 0.0046 -0.0010 3231 LYS 106 HA 0.0145 0.0075 -0.0030 3232 LYS 106 HB2 0.0099 0.0050 -0.0014 3233 LYS 106 HB3 0.0126 0.0069 -0.0031 3234 LYS 106 HG2 0.0161 0.0059 0.0007 3235 LYS 106 HG3 0.0133 0.0040 0.0023 3236 LYS 106 HD2 0.0118 0.0037 0.0019 3237 LYS 106 HD3 0.0146 0.0056 0.0002 3238 LYS 106 HE2 0.0179 0.0045 0.0041 3239 LYS 106 HE3 0.0149 0.0026 0.0057 3240 LYS 106 HZ1 0.0181 0.0041 0.0050 3241 LYS 106 HZ2 0.0148 0.0038 0.0035 3242 LYS 106 HZ3 0.0154 0.0022 0.0067 3243 SER 107 N 0.0061 0.0025 -0.0019 3244 SER 107 CA 0.0055 0.0033 -0.0016 3245 SER 107 C 0.0046 0.0033 -0.0014 3246 SER 107 O 0.0042 0.0026 -0.0015 3247 SER 107 CB 0.0051 0.0031 -0.0016 3248 SER 107 OG 0.0058 0.0024 -0.0019 3249 SER 107 H 0.0058 0.0018 -0.0020 3250 SER 107 HA 0.0059 0.0040 -0.0016 3251 SER 107 HB2 0.0044 0.0027 -0.0015 3252 SER 107 HB3 0.0051 0.0038 -0.0014 3253 SER 107 HG 0.0055 0.0022 -0.0019 3254 GLY 108 N 0.0042 0.0042 -0.0011 3255 GLY 108 CA 0.0033 0.0044 -0.0009 3256 GLY 108 C 0.0023 0.0042 -0.0007 3257 GLY 108 O 0.0022 0.0045 -0.0006 3258 GLY 108 H 0.0045 0.0048 -0.0010 3259 GLY 108 HA2 0.0033 0.0039 -0.0010 3260 GLY 108 HA3 0.0033 0.0052 -0.0007 3261 GLY 109 N 0.0016 0.0036 -0.0007 3262 GLY 109 CA 0.0006 0.0034 -0.0005 3263 GLY 109 C 0.0005 0.0023 -0.0007 3264 GLY 109 O 0.0012 0.0020 -0.0010 3265 GLY 109 H 0.0018 0.0034 -0.0008 3266 GLY 109 HA2 0.0001 0.0035 -0.0004 3267 GLY 109 HA3 0.0005 0.0039 -0.0004 3268 GLU 110 N -0.0003 0.0018 -0.0007 3269 GLU 110 CA -0.0005 0.0008 -0.0008 3270 GLU 110 C -0.0017 0.0005 -0.0006 3271 GLU 110 O -0.0021 -0.0000 -0.0007 3272 GLU 110 CB -0.0000 -0.0000 -0.0011 3273 GLU 110 CG 0.0009 -0.0004 -0.0014 3274 GLU 110 CD 0.0007 -0.0008 -0.0015 3275 GLU 110 OE1 -0.0001 -0.0013 -0.0014 3276 GLU 110 OE2 0.0014 -0.0007 -0.0016 3277 GLU 110 H -0.0008 0.0021 -0.0005 3278 GLU 110 HA -0.0002 0.0008 -0.0009 3279 GLU 110 HB2 0.0002 0.0003 -0.0011 3280 GLU 110 HB3 -0.0006 -0.0006 -0.0012 3281 GLU 110 HG2 0.0015 0.0002 -0.0014 3282 GLU 110 HG3 0.0012 -0.0010 -0.0016 3283 THR 111 N -0.0021 0.0010 -0.0004 3284 THR 111 CA -0.0032 0.0008 -0.0003 3285 THR 111 C -0.0034 0.0001 -0.0004 3286 THR 111 O -0.0026 -0.0001 -0.0006 3287 THR 111 CB -0.0038 0.0018 0.0001 3288 THR 111 OG1 -0.0048 0.0016 0.0003 3289 THR 111 CG2 -0.0036 0.0023 0.0002 3290 THR 111 H -0.0017 0.0014 -0.0004 3291 THR 111 HA -0.0035 0.0004 -0.0003 3292 THR 111 HB -0.0035 0.0023 0.0002 3293 THR 111 HG1 -0.0050 0.0017 0.0004 3294 THR 111 HG21 -0.0040 0.0029 0.0004 3295 THR 111 HG22 -0.0038 0.0017 0.0001 3296 THR 111 HG23 -0.0028 0.0024 0.0000 3297 ARG 112 N -0.0043 -0.0001 -0.0002 3298 ARG 112 CA -0.0045 -0.0008 -0.0003 3299 ARG 112 C -0.0053 -0.0003 -0.0000 3300 ARG 112 O -0.0060 0.0002 0.0002 3301 ARG 112 CB -0.0048 -0.0019 -0.0005 3302 ARG 112 CG -0.0055 -0.0025 -0.0005 3303 ARG 112 CD -0.0065 -0.0028 -0.0004 3304 ARG 112 NE -0.0071 -0.0020 -0.0000 3305 ARG 112 CZ -0.0075 -0.0018 0.0001 3306 ARG 112 NH1 -0.0074 -0.0023 -0.0000 3307 ARG 112 NH2 -0.0081 -0.0010 0.0004 3308 ARG 112 H -0.0049 0.0001 -0.0000 3309 ARG 112 HA -0.0038 -0.0008 -0.0005 3310 ARG 112 HB2 -0.0041 -0.0022 -0.0007 3311 ARG 112 HB3 -0.0052 -0.0018 -0.0004 3312 ARG 112 HG2 -0.0056 -0.0020 -0.0004 3313 ARG 112 HG3 -0.0051 -0.0031 -0.0007 3314 ARG 112 HD2 -0.0068 -0.0034 -0.0004 3315 ARG 112 HD3 -0.0063 -0.0032 -0.0005 3316 ARG 112 HE -0.0073 -0.0016 0.0001 3317 ARG 112 HH11 -0.0069 -0.0029 -0.0003 3318 ARG 112 HH12 -0.0077 -0.0021 0.0001 3319 ARG 112 HH21 -0.0083 -0.0006 0.0006 3320 ARG 112 HH22 -0.0084 -0.0008 0.0006 3321 LEU 113 N -0.0044 -0.0021 -0.0002 3322 LEU 113 CA -0.0039 -0.0020 0.0003 3323 LEU 113 C -0.0044 -0.0021 0.0000 3324 LEU 113 O -0.0053 -0.0024 0.0001 3325 LEU 113 CB -0.0029 -0.0017 0.0000 3326 LEU 113 CG -0.0022 -0.0014 0.0006 3327 LEU 113 CD1 -0.0024 -0.0013 0.0017 3328 LEU 113 CD2 -0.0024 -0.0015 0.0003 3329 LEU 113 OXT -0.0039 -0.0020 -0.0003 3330 LEU 113 H -0.0041 -0.0021 -0.0008 3331 LEU 113 HA -0.0040 -0.0019 0.0011 3332 LEU 113 HB2 -0.0028 -0.0017 -0.0008 3333 LEU 113 HB3 -0.0026 -0.0016 0.0001 3334 LEU 113 HG -0.0015 -0.0012 0.0004 3335 LEU 113 HD11 -0.0019 -0.0011 0.0021 3336 LEU 113 HD12 -0.0031 -0.0015 0.0019 3337 LEU 113 HD13 -0.0023 -0.0013 0.0019 3338 LEU 113 HD21 -0.0019 -0.0013 0.0007 3339 LEU 113 HD22 -0.0023 -0.0015 -0.0005 3340 LEU 113 HD23 -0.0031 -0.0017 0.0005 3341 GLY 1 N -0.0055 0.0046 0.0077 3342 GLY 1 CA -0.0032 0.0044 0.0077 3343 GLY 1 C -0.0049 0.0045 0.0082 3344 GLY 1 O -0.0052 0.0042 0.0109 3345 GLY 1 H1 -0.0043 0.0045 0.0075 3346 GLY 1 H2 -0.0070 0.0049 0.0058 3347 GLY 1 H3 -0.0069 0.0044 0.0098 3348 GLY 1 HA2 -0.0016 0.0041 0.0096 3349 GLY 1 HA3 -0.0020 0.0046 0.0055 3350 GLY 2 N -0.0060 0.0048 0.0056 3351 GLY 2 CA -0.0076 0.0049 0.0058 3352 GLY 2 C -0.0089 0.0054 0.0026 3353 GLY 2 O -0.0085 0.0056 0.0003 3354 GLY 2 H -0.0057 0.0051 0.0035 3355 GLY 2 HA2 -0.0096 0.0049 0.0075 3356 GLY 2 HA3 -0.0060 0.0047 0.0066 3357 SER 3 N -0.0104 0.0055 0.0025 3358 SER 3 CA -0.0117 0.0060 -0.0004 3359 SER 3 C -0.0119 0.0060 -0.0002 3360 SER 3 O -0.0121 0.0057 0.0024 3361 SER 3 CB -0.0150 0.0063 -0.0010 3362 SER 3 OG -0.0148 0.0063 -0.0016 3363 SER 3 H -0.0106 0.0053 0.0045 3364 SER 3 HA -0.0101 0.0061 -0.0023 3365 SER 3 HB2 -0.0165 0.0062 0.0010 3366 SER 3 HB3 -0.0160 0.0066 -0.0031 3367 SER 3 HG -0.0126 0.0061 -0.0011 3368 MET 4 N -0.0119 0.0063 -0.0030 3369 MET 4 CA -0.0122 0.0063 -0.0033 3370 MET 4 C -0.0094 0.0059 -0.0016 3371 MET 4 O -0.0098 0.0056 0.0011 3372 MET 4 CB -0.0154 0.0064 -0.0020 3373 MET 4 CG -0.0182 0.0069 -0.0040 3374 MET 4 SD -0.0220 0.0070 -0.0024 3375 MET 4 CE -0.0214 0.0069 -0.0025 3376 MET 4 H -0.0117 0.0065 -0.0050 3377 MET 4 HA -0.0120 0.0066 -0.0057 3378 MET 4 HB2 -0.0158 0.0062 0.0004 3379 MET 4 HB3 -0.0153 0.0064 -0.0018 3380 MET 4 HG2 -0.0179 0.0071 -0.0063 3381 MET 4 HG3 -0.0183 0.0069 -0.0042 3382 MET 4 HE1 -0.0195 0.0066 -0.0008 3383 MET 4 HE2 -0.0236 0.0070 -0.0019 3384 MET 4 HE3 -0.0207 0.0071 -0.0049 3385 ARG 5 N -0.0067 0.0059 -0.0031 3386 ARG 5 CA -0.0039 0.0055 -0.0018 3387 ARG 5 C -0.0044 0.0056 -0.0019 3388 ARG 5 O -0.0056 0.0059 -0.0042 3389 ARG 5 CB -0.0009 0.0055 -0.0037 3390 ARG 5 CG 0.0001 0.0054 -0.0033 3391 ARG 5 CD -0.0017 0.0058 -0.0057 3392 ARG 5 NE -0.0013 0.0057 -0.0050 3393 ARG 5 CZ -0.0033 0.0060 -0.0059 3394 ARG 5 NH1 -0.0060 0.0063 -0.0074 3395 ARG 5 NH2 -0.0028 0.0058 -0.0052 3396 ARG 5 H -0.0065 0.0061 -0.0052 3397 ARG 5 HA -0.0037 0.0052 0.0006 3398 ARG 5 HB2 -0.0013 0.0058 -0.0062 3399 ARG 5 HB3 0.0011 0.0053 -0.0029 3400 ARG 5 HG2 0.0026 0.0053 -0.0038 3401 ARG 5 HG3 -0.0005 0.0052 -0.0009 3402 ARG 5 HD2 -0.0042 0.0060 -0.0055 3403 ARG 5 HD3 -0.0009 0.0060 -0.0080 3404 ARG 5 HE 0.0007 0.0054 -0.0039 3405 ARG 5 HH11 -0.0064 0.0064 -0.0079 3406 ARG 5 HH12 -0.0075 0.0065 -0.0080 3407 ARG 5 HH21 -0.0008 0.0056 -0.0041 3408 ARG 5 HH22 -0.0043 0.0060 -0.0059 3409 PRO 6 N -0.0036 0.0052 0.0006 3410 PRO 6 CA -0.0040 0.0052 0.0008 3411 PRO 6 C -0.0012 0.0052 -0.0007 3412 PRO 6 O 0.0015 0.0049 0.0004 3413 PRO 6 CB -0.0041 0.0048 0.0044 3414 PRO 6 CG -0.0037 0.0046 0.0060 3415 PRO 6 CD -0.0021 0.0048 0.0035 3416 PRO 6 HA -0.0062 0.0055 -0.0002 3417 PRO 6 HB2 -0.0021 0.0046 0.0051 3418 PRO 6 HB3 -0.0063 0.0049 0.0051 3419 PRO 6 HG2 -0.0022 0.0043 0.0080 3420 PRO 6 HG3 -0.0060 0.0047 0.0066 3421 PRO 6 HD2 0.0005 0.0046 0.0035 3422 PRO 6 HD3 -0.0026 0.0048 0.0040 3423 PRO 7 N 0.0071 0.0039 -0.0038 3424 PRO 7 CA 0.0064 0.0032 -0.0030 3425 PRO 7 C 0.0065 0.0034 -0.0032 3426 PRO 7 O 0.0076 0.0038 -0.0033 3427 PRO 7 CB 0.0072 0.0027 -0.0017 3428 PRO 7 CG 0.0080 0.0031 -0.0018 3429 PRO 7 CD 0.0083 0.0039 -0.0031 3430 PRO 7 HA 0.0053 0.0028 -0.0030 3431 PRO 7 HB2 0.0078 0.0028 -0.0013 3432 PRO 7 HB3 0.0064 0.0021 -0.0010 3433 PRO 7 HG2 0.0089 0.0031 -0.0011 3434 PRO 7 HG3 0.0074 0.0028 -0.0016 3435 PRO 7 HD2 0.0092 0.0043 -0.0032 3436 PRO 7 HD3 0.0084 0.0042 -0.0035 3437 ILE 8 N 0.0053 0.0031 -0.0034 3438 ILE 8 CA 0.0052 0.0032 -0.0037 3439 ILE 8 C 0.0052 0.0025 -0.0024 3440 ILE 8 O 0.0043 0.0018 -0.0018 3441 ILE 8 CB 0.0039 0.0032 -0.0046 3442 ILE 8 CG1 0.0037 0.0037 -0.0056 3443 ILE 8 CG2 0.0040 0.0036 -0.0052 3444 ILE 8 CD1 0.0023 0.0037 -0.0065 3445 ILE 8 H 0.0044 0.0028 -0.0034 3446 ILE 8 HA 0.0061 0.0037 -0.0041 3447 ILE 8 HB 0.0030 0.0026 -0.0041 3448 ILE 8 HG12 0.0045 0.0043 -0.0062 3449 ILE 8 HG13 0.0037 0.0034 -0.0052 3450 ILE 8 HG21 0.0031 0.0036 -0.0058 3451 ILE 8 HG22 0.0048 0.0042 -0.0058 3452 ILE 8 HG23 0.0043 0.0033 -0.0045 3453 ILE 8 HD11 0.0022 0.0039 -0.0071 3454 ILE 8 HD12 0.0023 0.0040 -0.0071 3455 ILE 8 HD13 0.0015 0.0031 -0.0059 3456 ILE 9 N 0.0062 0.0026 -0.0021 3457 ILE 9 CA 0.0064 0.0020 -0.0008 3458 ILE 9 C 0.0055 0.0018 -0.0009 3459 ILE 9 O 0.0058 0.0022 -0.0015 3460 ILE 9 CB 0.0079 0.0023 -0.0004 3461 ILE 9 CG1 0.0089 0.0028 -0.0007 3462 ILE 9 CG2 0.0081 0.0016 0.0011 3463 ILE 9 CD1 0.0088 0.0024 -0.0000 3464 ILE 9 H 0.0069 0.0032 -0.0026 3465 ILE 9 HA 0.0061 0.0015 -0.0001 3466 ILE 9 HB 0.0081 0.0026 -0.0008 3467 ILE 9 HG12 0.0087 0.0033 -0.0017 3468 ILE 9 HG13 0.0099 0.0031 -0.0005 3469 ILE 9 HG21 0.0074 0.0012 0.0013 3470 ILE 9 HG22 0.0091 0.0018 0.0014 3471 ILE 9 HG23 0.0079 0.0013 0.0016 3472 ILE 9 HD11 0.0096 0.0029 -0.0003 3473 ILE 9 HD12 0.0079 0.0022 -0.0003 3474 ILE 9 HD13 0.0090 0.0020 0.0010 3475 ILE 10 N 0.0044 0.0011 -0.0004 3476 ILE 10 CA 0.0035 0.0008 -0.0004 3477 ILE 10 C 0.0041 0.0004 0.0007 3478 ILE 10 O 0.0050 0.0002 0.0016 3479 ILE 10 CB 0.0020 0.0001 -0.0001 3480 ILE 10 CG1 0.0013 0.0004 -0.0011 3481 ILE 10 CG2 0.0011 -0.0001 -0.0002 3482 ILE 10 CD1 0.0005 -0.0002 -0.0005 3483 ILE 10 H 0.0041 0.0008 -0.0000 3484 ILE 10 HA 0.0034 0.0012 -0.0012 3485 ILE 10 HB 0.0020 -0.0004 0.0008 3486 ILE 10 HG12 0.0006 0.0005 -0.0018 3487 ILE 10 HG13 0.0020 0.0009 -0.0016 3488 ILE 10 HG21 0.0001 -0.0004 -0.0004 3489 ILE 10 HG22 0.0014 0.0004 -0.0010 3490 ILE 10 HG23 0.0013 -0.0005 0.0007 3491 ILE 10 HD11 0.0011 -0.0004 0.0003 3492 ILE 10 HD12 0.0002 0.0001 -0.0012 3493 ILE 10 HD13 -0.0004 -0.0006 -0.0003 3494 HIS 11 N 0.0038 0.0003 0.0008 3495 HIS 11 CA 0.0043 -0.0001 0.0018 3496 HIS 11 C 0.0032 -0.0007 0.0020 3497 HIS 11 O 0.0026 -0.0004 0.0012 3498 HIS 11 CB 0.0055 0.0005 0.0015 3499 HIS 11 CG 0.0062 0.0001 0.0025 3500 HIS 11 ND1 0.0061 0.0002 0.0024 3501 HIS 11 CD2 0.0069 -0.0002 0.0037 3502 HIS 11 CE1 0.0068 -0.0002 0.0035 3503 HIS 11 NE2 0.0073 -0.0004 0.0043 3504 HIS 11 H 0.0031 0.0004 0.0000 3505 HIS 11 HA 0.0046 -0.0004 0.0026 3506 HIS 11 HB2 0.0063 0.0009 0.0012 3507 HIS 11 HB3 0.0052 0.0008 0.0006 3508 HIS 11 HD2 0.0071 -0.0003 0.0040 3509 HIS 11 HE1 0.0069 -0.0003 0.0037 3510 HIS 11 HE2 0.0076 -0.0008 0.0052 3511 ARG 12 N 0.0028 -0.0014 0.0032 3512 ARG 12 CA 0.0017 -0.0020 0.0036 3513 ARG 12 C 0.0021 -0.0019 0.0037 3514 ARG 12 O 0.0028 -0.0022 0.0046 3515 ARG 12 CB 0.0014 -0.0028 0.0049 3516 ARG 12 CG 0.0001 -0.0035 0.0053 3517 ARG 12 CD -0.0002 -0.0042 0.0065 3518 ARG 12 NE -0.0014 -0.0049 0.0070 3519 ARG 12 CZ -0.0015 -0.0056 0.0082 3520 ARG 12 NH1 -0.0005 -0.0057 0.0091 3521 ARG 12 NH2 -0.0026 -0.0062 0.0085 3522 ARG 12 H 0.0032 -0.0016 0.0038 3523 ARG 12 HA 0.0008 -0.0019 0.0029 3524 ARG 12 HB2 0.0013 -0.0028 0.0048 3525 ARG 12 HB3 0.0023 -0.0029 0.0056 3526 ARG 12 HG2 0.0003 -0.0035 0.0055 3527 ARG 12 HG3 -0.0007 -0.0033 0.0045 3528 ARG 12 HD2 -0.0004 -0.0042 0.0063 3529 ARG 12 HD3 0.0007 -0.0043 0.0072 3530 ARG 12 HE -0.0021 -0.0048 0.0063 3531 ARG 12 HH11 0.0003 -0.0053 0.0088 3532 ARG 12 HH12 -0.0007 -0.0063 0.0100 3533 ARG 12 HH21 -0.0033 -0.0061 0.0079 3534 ARG 12 HH22 -0.0027 -0.0067 0.0095 3535 ALA 13 N 0.0000 -0.0014 0.0015 3536 ALA 13 CA -0.0001 -0.0014 0.0013 3537 ALA 13 C -0.0016 -0.0019 0.0023 3538 ALA 13 O -0.0027 -0.0021 0.0015 3539 ALA 13 CB -0.0004 -0.0011 -0.0006 3540 ALA 13 H -0.0004 -0.0013 0.0006 3541 ALA 13 HA 0.0010 -0.0012 0.0018 3542 ALA 13 HB1 -0.0005 -0.0011 -0.0008 3543 ALA 13 HB2 -0.0015 -0.0012 -0.0012 3544 ALA 13 HB3 0.0008 -0.0007 -0.0013 3545 GLY 14 N -0.0016 -0.0023 0.0039 3546 GLY 14 CA -0.0029 -0.0028 0.0050 3547 GLY 14 C -0.0046 -0.0032 0.0047 3548 GLY 14 O -0.0059 -0.0036 0.0054 3549 GLY 14 H -0.0006 -0.0021 0.0045 3550 GLY 14 HA2 -0.0025 -0.0030 0.0063 3551 GLY 14 HA3 -0.0031 -0.0028 0.0047 3552 LYS 15 N -0.0045 -0.0030 0.0038 3553 LYS 15 CA -0.0060 -0.0033 0.0034 3554 LYS 15 C -0.0056 -0.0032 0.0037 3555 LYS 15 O -0.0058 -0.0035 0.0051 3556 LYS 15 CB -0.0068 -0.0031 0.0016 3557 LYS 15 CG -0.0055 -0.0025 0.0003 3558 LYS 15 CD -0.0063 -0.0024 -0.0016 3559 LYS 15 CE -0.0074 -0.0026 -0.0019 3560 LYS 15 NZ -0.0083 -0.0024 -0.0036 3561 LYS 15 H -0.0034 -0.0026 0.0033 3562 LYS 15 HA -0.0069 -0.0037 0.0043 3563 LYS 15 HB2 -0.0075 -0.0032 0.0012 3564 LYS 15 HB3 -0.0076 -0.0033 0.0016 3565 LYS 15 HG2 -0.0049 -0.0024 0.0005 3566 LYS 15 HG3 -0.0045 -0.0023 0.0004 3567 LYS 15 HD2 -0.0053 -0.0019 -0.0025 3568 LYS 15 HD3 -0.0070 -0.0025 -0.0017 3569 LYS 15 HE2 -0.0083 -0.0030 -0.0010 3570 LYS 15 HE3 -0.0066 -0.0024 -0.0019 3571 LYS 15 HZ1 -0.0089 -0.0025 -0.0039 3572 LYS 15 HZ2 -0.0092 -0.0027 -0.0037 3573 LYS 15 HZ3 -0.0074 -0.0020 -0.0046 3574 LYS 16 N -0.0051 -0.0028 0.0024 3575 LYS 16 CA -0.0047 -0.0028 0.0025 3576 LYS 16 C -0.0034 -0.0022 0.0012 3577 LYS 16 O -0.0027 -0.0018 0.0003 3578 LYS 16 CB -0.0064 -0.0031 0.0022 3579 LYS 16 CG -0.0075 -0.0031 0.0007 3580 LYS 16 CD -0.0092 -0.0035 0.0006 3581 LYS 16 CE -0.0104 -0.0036 -0.0006 3582 LYS 16 NZ -0.0122 -0.0040 -0.0006 3583 LYS 16 H -0.0049 -0.0026 0.0013 3584 LYS 16 HA -0.0042 -0.0029 0.0038 3585 LYS 16 HB2 -0.0060 -0.0030 0.0020 3586 LYS 16 HB3 -0.0071 -0.0035 0.0033 3587 LYS 16 HG2 -0.0076 -0.0031 0.0007 3588 LYS 16 HG3 -0.0069 -0.0027 -0.0005 3589 LYS 16 HD2 -0.0092 -0.0034 0.0003 3590 LYS 16 HD3 -0.0097 -0.0039 0.0019 3591 LYS 16 HE2 -0.0105 -0.0036 -0.0003 3592 LYS 16 HE3 -0.0100 -0.0032 -0.0019 3593 LYS 16 HZ1 -0.0126 -0.0043 0.0007 3594 LYS 16 HZ2 -0.0122 -0.0039 -0.0011 3595 LYS 16 HZ3 -0.0130 -0.0041 -0.0013 3596 TYR 17 N -0.0031 -0.0021 0.0010 3597 TYR 17 CA -0.0020 -0.0016 -0.0002 3598 TYR 17 C -0.0029 -0.0014 -0.0020 3599 TYR 17 O -0.0021 -0.0010 -0.0032 3600 TYR 17 CB -0.0011 -0.0015 0.0005 3601 TYR 17 CG -0.0004 -0.0017 0.0023 3602 TYR 17 CD1 0.0011 -0.0014 0.0027 3603 TYR 17 CD2 -0.0014 -0.0022 0.0037 3604 TYR 17 CE1 0.0017 -0.0015 0.0044 3605 TYR 17 CE2 -0.0008 -0.0024 0.0054 3606 TYR 17 CZ 0.0007 -0.0020 0.0057 3607 TYR 17 OH 0.0013 -0.0022 0.0074 3608 TYR 17 H -0.0038 -0.0024 0.0017 3609 TYR 17 HA -0.0010 -0.0013 -0.0004 3610 TYR 17 HB2 -0.0019 -0.0017 0.0004 3611 TYR 17 HB3 0.0001 -0.0010 -0.0003 3612 TYR 17 HD1 0.0019 -0.0010 0.0016 3613 TYR 17 HD2 -0.0026 -0.0024 0.0034 3614 TYR 17 HE1 0.0029 -0.0013 0.0046 3615 TYR 17 HE2 -0.0016 -0.0028 0.0064 3616 TYR 17 HH 0.0019 -0.0022 0.0078 3617 GLY 18 N -0.0045 -0.0018 -0.0020 3618 GLY 18 CA -0.0056 -0.0018 -0.0036 3619 GLY 18 C -0.0056 -0.0016 -0.0045 3620 GLY 18 O -0.0054 -0.0013 -0.0061 3621 GLY 18 H -0.0050 -0.0022 -0.0010 3622 GLY 18 HA2 -0.0069 -0.0022 -0.0033 3623 GLY 18 HA3 -0.0051 -0.0015 -0.0044 3624 PHE 19 N -0.0034 -0.0012 -0.0028 3625 PHE 19 CA -0.0030 -0.0013 -0.0026 3626 PHE 19 C -0.0028 -0.0010 -0.0022 3627 PHE 19 O -0.0029 -0.0007 -0.0022 3628 PHE 19 CB -0.0027 -0.0017 -0.0025 3629 PHE 19 CG -0.0026 -0.0016 -0.0024 3630 PHE 19 CD1 -0.0028 -0.0015 -0.0025 3631 PHE 19 CD2 -0.0022 -0.0016 -0.0021 3632 PHE 19 CE1 -0.0026 -0.0014 -0.0023 3633 PHE 19 CE2 -0.0021 -0.0015 -0.0019 3634 PHE 19 CZ -0.0023 -0.0014 -0.0020 3635 PHE 19 H -0.0034 -0.0010 -0.0027 3636 PHE 19 HA -0.0030 -0.0014 -0.0026 3637 PHE 19 HB2 -0.0025 -0.0018 -0.0024 3638 PHE 19 HB3 -0.0029 -0.0019 -0.0028 3639 PHE 19 HD1 -0.0031 -0.0015 -0.0027 3640 PHE 19 HD2 -0.0021 -0.0017 -0.0020 3641 PHE 19 HE1 -0.0028 -0.0014 -0.0024 3642 PHE 19 HE2 -0.0018 -0.0015 -0.0017 3643 PHE 19 HZ -0.0022 -0.0014 -0.0019 3644 THR 20 N -0.0026 -0.0010 -0.0021 3645 THR 20 CA -0.0025 -0.0006 -0.0018 3646 THR 20 C -0.0021 -0.0008 -0.0015 3647 THR 20 O -0.0018 -0.0011 -0.0015 3648 THR 20 CB -0.0024 -0.0006 -0.0017 3649 THR 20 OG1 -0.0028 -0.0005 -0.0019 3650 THR 20 CG2 -0.0023 -0.0002 -0.0014 3651 THR 20 H -0.0026 -0.0012 -0.0022 3652 THR 20 HA -0.0026 -0.0004 -0.0017 3653 THR 20 HB -0.0023 -0.0008 -0.0017 3654 THR 20 HG1 -0.0030 -0.0005 -0.0021 3655 THR 20 HG21 -0.0025 0.0001 -0.0014 3656 THR 20 HG22 -0.0020 -0.0003 -0.0012 3657 THR 20 HG23 -0.0022 -0.0002 -0.0013 3658 LEU 21 N -0.0020 -0.0005 -0.0013 3659 LEU 21 CA -0.0017 -0.0006 -0.0011 3660 LEU 21 C -0.0014 -0.0004 -0.0008 3661 LEU 21 O -0.0014 -0.0001 -0.0006 3662 LEU 21 CB -0.0017 -0.0005 -0.0010 3663 LEU 21 CG -0.0014 -0.0008 -0.0009 3664 LEU 21 CD1 -0.0012 -0.0012 -0.0010 3665 LEU 21 CD2 -0.0015 -0.0009 -0.0011 3666 LEU 21 H -0.0022 -0.0003 -0.0014 3667 LEU 21 HA -0.0015 -0.0010 -0.0011 3668 LEU 21 HB2 -0.0019 -0.0005 -0.0012 3669 LEU 21 HB3 -0.0017 -0.0002 -0.0009 3670 LEU 21 HG -0.0012 -0.0006 -0.0007 3671 LEU 21 HD11 -0.0010 -0.0011 -0.0008 3672 LEU 21 HD12 -0.0009 -0.0014 -0.0009 3673 LEU 21 HD13 -0.0013 -0.0014 -0.0012 3674 LEU 21 HD21 -0.0017 -0.0011 -0.0013 3675 LEU 21 HD22 -0.0013 -0.0011 -0.0010 3676 LEU 21 HD23 -0.0017 -0.0006 -0.0011 3677 ARG 22 N -0.0013 -0.0006 -0.0007 3678 ARG 22 CA -0.0011 -0.0004 -0.0005 3679 ARG 22 C -0.0007 -0.0004 -0.0002 3680 ARG 22 O -0.0005 -0.0007 -0.0002 3681 ARG 22 CB -0.0010 -0.0006 -0.0005 3682 ARG 22 CG -0.0010 -0.0003 -0.0004 3683 ARG 22 CD -0.0014 -0.0001 -0.0006 3684 ARG 22 NE -0.0014 0.0001 -0.0005 3685 ARG 22 CZ -0.0016 0.0004 -0.0005 3686 ARG 22 NH1 -0.0020 0.0005 -0.0007 3687 ARG 22 NH2 -0.0016 0.0006 -0.0004 3688 ARG 22 H -0.0013 -0.0008 -0.0009 3689 ARG 22 HA -0.0012 -0.0001 -0.0004 3690 ARG 22 HB2 -0.0012 -0.0008 -0.0008 3691 ARG 22 HB3 -0.0007 -0.0008 -0.0004 3692 ARG 22 HG2 -0.0008 -0.0005 -0.0004 3693 ARG 22 HG3 -0.0008 -0.0001 -0.0001 3694 ARG 22 HD2 -0.0015 0.0001 -0.0005 3695 ARG 22 HD3 -0.0015 -0.0003 -0.0008 3696 ARG 22 HE -0.0012 0.0000 -0.0003 3697 ARG 22 HH11 -0.0020 0.0004 -0.0008 3698 ARG 22 HH12 -0.0022 0.0008 -0.0008 3699 ARG 22 HH21 -0.0014 0.0005 -0.0003 3700 ARG 22 HH22 -0.0018 0.0008 -0.0004 3701 ALA 23 N -0.0007 -0.0000 0.0001 3702 ALA 23 CA -0.0003 0.0000 0.0004 3703 ALA 23 C -0.0000 -0.0000 0.0006 3704 ALA 23 O -0.0001 0.0002 0.0006 3705 ALA 23 CB -0.0004 0.0004 0.0005 3706 ALA 23 H -0.0008 0.0002 0.0001 3707 ALA 23 HA -0.0003 -0.0002 0.0003 3708 ALA 23 HB1 -0.0005 0.0007 0.0006 3709 ALA 23 HB2 -0.0006 0.0005 0.0004 3710 ALA 23 HB3 -0.0002 0.0005 0.0007 3711 ILE 24 N 0.0003 -0.0003 0.0007 3712 ILE 24 CA 0.0006 -0.0003 0.0009 3713 ILE 24 C 0.0009 -0.0004 0.0012 3714 ILE 24 O 0.0010 -0.0007 0.0011 3715 ILE 24 CB 0.0006 -0.0007 0.0008 3716 ILE 24 CG1 0.0005 -0.0010 0.0005 3717 ILE 24 CG2 0.0004 -0.0005 0.0007 3718 ILE 24 CD1 0.0007 -0.0014 0.0004 3719 ILE 24 H 0.0003 -0.0004 0.0007 3720 ILE 24 HA 0.0006 -0.0000 0.0010 3721 ILE 24 HB 0.0009 -0.0008 0.0010 3722 ILE 24 HG12 0.0003 -0.0010 0.0003 3723 ILE 24 HG13 0.0007 -0.0011 0.0006 3724 ILE 24 HG21 0.0001 -0.0004 0.0005 3725 ILE 24 HG22 0.0005 -0.0003 0.0009 3726 ILE 24 HG23 0.0004 -0.0008 0.0005 3727 ILE 24 HD11 0.0009 -0.0015 0.0006 3728 ILE 24 HD12 0.0006 -0.0017 0.0002 3729 ILE 24 HD13 0.0005 -0.0014 0.0003 3730 ARG 25 N 0.0039 -0.0002 0.0010 3731 ARG 25 CA 0.0023 -0.0003 -0.0000 3732 ARG 25 C 0.0023 -0.0005 0.0019 3733 ARG 25 O 0.0042 -0.0003 0.0021 3734 ARG 25 CB 0.0033 0.0001 -0.0027 3735 ARG 25 CG 0.0035 0.0004 -0.0047 3736 ARG 25 CD 0.0042 0.0007 -0.0074 3737 ARG 25 NE 0.0069 0.0010 -0.0074 3738 ARG 25 CZ 0.0079 0.0013 -0.0094 3739 ARG 25 NH1 0.0065 0.0014 -0.0116 3740 ARG 25 NH2 0.0103 0.0015 -0.0092 3741 ARG 25 H 0.0059 -0.0000 0.0008 3742 ARG 25 HA 0.0003 -0.0004 -0.0002 3743 ARG 25 HB2 0.0053 0.0003 -0.0024 3744 ARG 25 HB3 0.0021 0.0001 -0.0034 3745 ARG 25 HG2 0.0015 0.0002 -0.0049 3746 ARG 25 HG3 0.0049 0.0004 -0.0041 3747 ARG 25 HD2 0.0028 0.0007 -0.0079 3748 ARG 25 HD3 0.0041 0.0009 -0.0088 3749 ARG 25 HE 0.0079 0.0009 -0.0057 3750 ARG 25 HH11 0.0047 0.0013 -0.0118 3751 ARG 25 HH12 0.0073 0.0017 -0.0131 3752 ARG 25 HH21 0.0113 0.0014 -0.0075 3753 ARG 25 HH22 0.0111 0.0018 -0.0107 3754 VAL 26 N 0.0003 -0.0009 0.0035 3755 VAL 26 CA 0.0000 -0.0011 0.0055 3756 VAL 26 C -0.0007 -0.0010 0.0042 3757 VAL 26 O -0.0028 -0.0011 0.0032 3758 VAL 26 CB -0.0020 -0.0015 0.0076 3759 VAL 26 CG1 -0.0008 -0.0017 0.0096 3760 VAL 26 CG2 -0.0045 -0.0016 0.0063 3761 VAL 26 H -0.0012 -0.0010 0.0033 3762 VAL 26 HA 0.0019 -0.0011 0.0064 3763 VAL 26 HB -0.0026 -0.0017 0.0085 3764 VAL 26 HG11 -0.0023 -0.0019 0.0104 3765 VAL 26 HG12 0.0007 -0.0014 0.0088 3766 VAL 26 HG13 -0.0000 -0.0018 0.0113 3767 VAL 26 HG21 -0.0052 -0.0015 0.0047 3768 VAL 26 HG22 -0.0040 -0.0015 0.0056 3769 VAL 26 HG23 -0.0060 -0.0019 0.0078 3770 TYR 27 N 0.0012 -0.0009 0.0043 3771 TYR 27 CA 0.0008 -0.0008 0.0032 3772 TYR 27 C -0.0007 -0.0011 0.0052 3773 TYR 27 O 0.0005 -0.0013 0.0071 3774 TYR 27 CB 0.0035 -0.0005 0.0025 3775 TYR 27 CG 0.0047 -0.0001 0.0001 3776 TYR 27 CD1 0.0060 0.0001 0.0001 3777 TYR 27 CD2 0.0046 0.0002 -0.0023 3778 TYR 27 CE1 0.0072 0.0004 -0.0022 3779 TYR 27 CE2 0.0058 0.0006 -0.0045 3780 TYR 27 CZ 0.0071 0.0007 -0.0045 3781 TYR 27 OH 0.0082 0.0010 -0.0067 3782 TYR 27 H 0.0030 -0.0008 0.0051 3783 TYR 27 HA -0.0004 -0.0007 0.0014 3784 TYR 27 HB2 0.0048 -0.0005 0.0041 3785 TYR 27 HB3 0.0032 -0.0005 0.0023 3786 TYR 27 HD1 0.0061 -0.0001 0.0019 3787 TYR 27 HD2 0.0036 0.0001 -0.0023 3788 TYR 27 HE1 0.0082 0.0005 -0.0021 3789 TYR 27 HE2 0.0057 0.0008 -0.0064 3790 TYR 27 HH 0.0073 0.0011 -0.0082 3791 MET 28 N -0.0032 -0.0013 0.0047 3792 MET 28 CA -0.0049 -0.0017 0.0065 3793 MET 28 C -0.0065 -0.0017 0.0049 3794 MET 28 O -0.0079 -0.0016 0.0030 3795 MET 28 CB -0.0068 -0.0020 0.0080 3796 MET 28 CG -0.0054 -0.0021 0.0099 3797 MET 28 SD -0.0076 -0.0026 0.0119 3798 MET 28 CE -0.0094 -0.0024 0.0094 3799 MET 28 H -0.0040 -0.0012 0.0032 3800 MET 28 HA -0.0037 -0.0017 0.0079 3801 MET 28 HB2 -0.0078 -0.0020 0.0066 3802 MET 28 HB3 -0.0081 -0.0023 0.0091 3803 MET 28 HG2 -0.0041 -0.0022 0.0112 3804 MET 28 HG3 -0.0042 -0.0019 0.0088 3805 MET 28 HE1 -0.0105 -0.0024 0.0082 3806 MET 28 HE2 -0.0080 -0.0022 0.0082 3807 MET 28 HE3 -0.0107 -0.0027 0.0104 3808 GLY 29 N -0.0063 -0.0017 0.0058 3809 GLY 29 CA -0.0078 -0.0017 0.0044 3810 GLY 29 C -0.0060 -0.0015 0.0038 3811 GLY 29 O -0.0036 -0.0013 0.0041 3812 GLY 29 H -0.0052 -0.0018 0.0073 3813 GLY 29 HA2 -0.0094 -0.0020 0.0057 3814 GLY 29 HA3 -0.0086 -0.0016 0.0026 3815 ASP 30 N -0.0072 -0.0015 0.0031 3816 ASP 30 CA -0.0056 -0.0013 0.0024 3817 ASP 30 C -0.0040 -0.0009 -0.0001 3818 ASP 30 O -0.0017 -0.0006 -0.0001 3819 ASP 30 CB -0.0074 -0.0014 0.0022 3820 ASP 30 CG -0.0093 -0.0013 -0.0002 3821 ASP 30 OD1 -0.0085 -0.0010 -0.0023 3822 ASP 30 OD2 -0.0115 -0.0016 0.0002 3823 ASP 30 H -0.0091 -0.0017 0.0029 3824 ASP 30 HA -0.0042 -0.0014 0.0041 3825 ASP 30 HB2 -0.0062 -0.0013 0.0020 3826 ASP 30 HB3 -0.0085 -0.0017 0.0040 3827 SER 31 N -0.0068 -0.0000 -0.0071 3828 SER 31 CA -0.0054 -0.0002 -0.0096 3829 SER 31 C -0.0034 -0.0004 -0.0089 3830 SER 31 O -0.0031 -0.0005 -0.0065 3831 SER 31 CB -0.0075 0.0001 -0.0117 3832 SER 31 OG -0.0101 0.0005 -0.0112 3833 SER 31 H -0.0087 0.0002 -0.0068 3834 SER 31 HA -0.0043 -0.0003 -0.0105 3835 SER 31 HB2 -0.0078 0.0002 -0.0115 3836 SER 31 HB3 -0.0069 0.0001 -0.0138 3837 SER 31 HG -0.0098 0.0004 -0.0106 3838 ASP 32 N -0.0020 -0.0006 -0.0110 3839 ASP 32 CA -0.0000 -0.0009 -0.0106 3840 ASP 32 C -0.0015 -0.0007 -0.0102 3841 ASP 32 O -0.0005 -0.0008 -0.0110 3842 ASP 32 CB 0.0019 -0.0011 -0.0131 3843 ASP 32 CG 0.0049 -0.0015 -0.0123 3844 ASP 32 OD1 0.0058 -0.0016 -0.0117 3845 ASP 32 OD2 0.0064 -0.0017 -0.0124 3846 ASP 32 H -0.0024 -0.0005 -0.0129 3847 ASP 32 HA 0.0011 -0.0010 -0.0088 3848 ASP 32 HB2 0.0017 -0.0010 -0.0143 3849 ASP 32 HB3 0.0013 -0.0010 -0.0144 3850 VAL 33 N -0.0039 -0.0004 -0.0089 3851 VAL 33 CA -0.0055 -0.0002 -0.0084 3852 VAL 33 C -0.0045 -0.0004 -0.0058 3853 VAL 33 O -0.0037 -0.0005 -0.0038 3854 VAL 33 CB -0.0086 0.0002 -0.0080 3855 VAL 33 CG1 -0.0090 0.0002 -0.0058 3856 VAL 33 CG2 -0.0103 0.0004 -0.0072 3857 VAL 33 H -0.0046 -0.0003 -0.0082 3858 VAL 33 HA -0.0053 -0.0002 -0.0101 3859 VAL 33 HB -0.0094 0.0004 -0.0099 3860 VAL 33 HG11 -0.0080 0.0001 -0.0065 3861 VAL 33 HG12 -0.0111 0.0005 -0.0055 3862 VAL 33 HG13 -0.0081 0.0001 -0.0039 3863 VAL 33 HG21 -0.0124 0.0007 -0.0069 3864 VAL 33 HG22 -0.0102 0.0004 -0.0089 3865 VAL 33 HG23 -0.0095 0.0003 -0.0054 3866 TYR 34 N -0.0044 -0.0004 -0.0060 3867 TYR 34 CA -0.0034 -0.0005 -0.0038 3868 TYR 34 C -0.0050 -0.0003 -0.0037 3869 TYR 34 O -0.0061 -0.0001 -0.0058 3870 TYR 34 CB -0.0004 -0.0009 -0.0042 3871 TYR 34 CG 0.0003 -0.0010 -0.0070 3872 TYR 34 CD1 0.0008 -0.0010 -0.0093 3873 TYR 34 CD2 0.0004 -0.0010 -0.0073 3874 TYR 34 CE1 0.0014 -0.0010 -0.0118 3875 TYR 34 CE2 0.0009 -0.0010 -0.0098 3876 TYR 34 CZ 0.0015 -0.0010 -0.0121 3877 TYR 34 OH 0.0021 -0.0011 -0.0146 3878 TYR 34 H -0.0050 -0.0002 -0.0077 3879 TYR 34 HA -0.0037 -0.0005 -0.0019 3880 TYR 34 HB2 0.0003 -0.0010 -0.0026 3881 TYR 34 HB3 0.0008 -0.0011 -0.0040 3882 TYR 34 HD1 0.0008 -0.0010 -0.0090 3883 TYR 34 HD2 -0.0001 -0.0009 -0.0055 3884 TYR 34 HE1 0.0019 -0.0011 -0.0136 3885 TYR 34 HE2 0.0010 -0.0010 -0.0101 3886 TYR 34 HH 0.0005 -0.0008 -0.0158 3887 THR 35 N -0.0052 -0.0003 -0.0012 3888 THR 35 CA -0.0066 -0.0002 -0.0010 3889 THR 35 C -0.0046 -0.0004 -0.0004 3890 THR 35 O -0.0030 -0.0007 0.0016 3891 THR 35 CB -0.0088 0.0001 0.0013 3892 THR 35 OG1 -0.0088 0.0001 0.0027 3893 THR 35 CG2 -0.0117 0.0005 0.0001 3894 THR 35 H -0.0044 -0.0005 0.0004 3895 THR 35 HA -0.0076 0.0000 -0.0029 3896 THR 35 HB -0.0084 0.0000 0.0028 3897 THR 35 HG1 -0.0088 0.0001 0.0014 3898 THR 35 HG21 -0.0132 0.0007 0.0018 3899 THR 35 HG22 -0.0121 0.0006 -0.0014 3900 THR 35 HG23 -0.0117 0.0005 -0.0009 3901 VAL 36 N -0.0047 -0.0004 -0.0021 3902 VAL 36 CA -0.0029 -0.0006 -0.0017 3903 VAL 36 C -0.0040 -0.0005 0.0005 3904 VAL 36 O -0.0059 -0.0003 -0.0001 3905 VAL 36 CB -0.0024 -0.0007 -0.0045 3906 VAL 36 CG1 -0.0001 -0.0010 -0.0042 3907 VAL 36 CG2 -0.0019 -0.0007 -0.0068 3908 VAL 36 H -0.0060 -0.0002 -0.0036 3909 VAL 36 HA -0.0009 -0.0009 -0.0010 3910 VAL 36 HB -0.0043 -0.0004 -0.0049 3911 VAL 36 HG11 0.0006 -0.0010 -0.0062 3912 VAL 36 HG12 0.0017 -0.0012 -0.0032 3913 VAL 36 HG13 -0.0007 -0.0009 -0.0029 3914 VAL 36 HG21 -0.0036 -0.0004 -0.0071 3915 VAL 36 HG22 -0.0001 -0.0009 -0.0064 3916 VAL 36 HG23 -0.0016 -0.0007 -0.0087 3917 HIS 37 N -0.0010 -0.0008 -0.0001 3918 HIS 37 CA -0.0011 -0.0010 -0.0003 3919 HIS 37 C -0.0012 -0.0007 -0.0006 3920 HIS 37 O -0.0012 -0.0004 -0.0005 3921 HIS 37 CB -0.0010 -0.0012 -0.0002 3922 HIS 37 CG -0.0008 -0.0015 -0.0000 3923 HIS 37 ND1 -0.0008 -0.0017 -0.0001 3924 HIS 37 CD2 -0.0007 -0.0017 0.0003 3925 HIS 37 CE1 -0.0007 -0.0020 0.0001 3926 HIS 37 NE2 -0.0006 -0.0019 0.0004 3927 HIS 37 H -0.0009 -0.0006 0.0001 3928 HIS 37 HA -0.0011 -0.0012 -0.0005 3929 HIS 37 HB2 -0.0009 -0.0011 -0.0001 3930 HIS 37 HB3 -0.0010 -0.0014 -0.0004 3931 HIS 37 HD2 -0.0007 -0.0015 0.0004 3932 HIS 37 HE1 -0.0007 -0.0022 0.0001 3933 HIS 37 HE2 -0.0005 -0.0020 0.0006 3934 HIS 38 N -0.0013 -0.0009 -0.0009 3935 HIS 38 CA -0.0014 -0.0007 -0.0011 3936 HIS 38 C -0.0015 -0.0009 -0.0013 3937 HIS 38 O -0.0014 -0.0012 -0.0013 3938 HIS 38 CB -0.0015 -0.0006 -0.0014 3939 HIS 38 CG -0.0015 -0.0005 -0.0013 3940 HIS 38 ND1 -0.0015 -0.0001 -0.0012 3941 HIS 38 CD2 -0.0015 -0.0006 -0.0012 3942 HIS 38 CE1 -0.0015 -0.0000 -0.0011 3943 HIS 38 NE2 -0.0015 -0.0003 -0.0011 3944 HIS 38 H -0.0013 -0.0012 -0.0009 3945 HIS 38 HA -0.0014 -0.0004 -0.0010 3946 HIS 38 HB2 -0.0015 -0.0009 -0.0015 3947 HIS 38 HB3 -0.0016 -0.0005 -0.0016 3948 HIS 38 HD2 -0.0015 -0.0009 -0.0013 3949 HIS 38 HE1 -0.0015 0.0002 -0.0010 3950 HIS 38 HE2 -0.0014 -0.0003 -0.0010 3951 MET 39 N -0.0015 -0.0007 -0.0014 3952 MET 39 CA -0.0016 -0.0009 -0.0016 3953 MET 39 C -0.0017 -0.0007 -0.0019 3954 MET 39 O -0.0018 -0.0003 -0.0019 3955 MET 39 CB -0.0015 -0.0009 -0.0013 3956 MET 39 CG -0.0013 -0.0011 -0.0010 3957 MET 39 SD -0.0012 -0.0013 -0.0009 3958 MET 39 CE -0.0012 -0.0009 -0.0007 3959 MET 39 H -0.0016 -0.0004 -0.0014 3960 MET 39 HA -0.0016 -0.0011 -0.0017 3961 MET 39 HB2 -0.0015 -0.0006 -0.0012 3962 MET 39 HB3 -0.0015 -0.0010 -0.0015 3963 MET 39 HG2 -0.0013 -0.0013 -0.0011 3964 MET 39 HG3 -0.0013 -0.0010 -0.0008 3965 MET 39 HE1 -0.0012 -0.0010 -0.0006 3966 MET 39 HE2 -0.0013 -0.0008 -0.0009 3967 MET 39 HE3 -0.0012 -0.0008 -0.0005 3968 VAL 40 N -0.0018 -0.0008 -0.0021 3969 VAL 40 CA -0.0019 -0.0007 -0.0024 3970 VAL 40 C -0.0019 -0.0005 -0.0024 3971 VAL 40 O -0.0019 -0.0006 -0.0023 3972 VAL 40 CB -0.0020 -0.0009 -0.0028 3973 VAL 40 CG1 -0.0019 -0.0013 -0.0027 3974 VAL 40 CG2 -0.0022 -0.0008 -0.0030 3975 VAL 40 H -0.0018 -0.0011 -0.0021 3976 VAL 40 HA -0.0020 -0.0005 -0.0025 3977 VAL 40 HB -0.0020 -0.0010 -0.0028 3978 VAL 40 HG11 -0.0020 -0.0014 -0.0029 3979 VAL 40 HG12 -0.0019 -0.0012 -0.0026 3980 VAL 40 HG13 -0.0018 -0.0014 -0.0025 3981 VAL 40 HG21 -0.0022 -0.0005 -0.0031 3982 VAL 40 HG22 -0.0022 -0.0007 -0.0030 3983 VAL 40 HG23 -0.0022 -0.0009 -0.0033 3984 TRP 41 N -0.0020 -0.0001 -0.0023 3985 TRP 41 CA -0.0020 0.0001 -0.0022 3986 TRP 41 C -0.0021 0.0001 -0.0025 3987 TRP 41 O -0.0021 0.0001 -0.0025 3988 TRP 41 CB -0.0020 0.0005 -0.0021 3989 TRP 41 CG -0.0019 0.0007 -0.0019 3990 TRP 41 CD1 -0.0020 0.0010 -0.0019 3991 TRP 41 CD2 -0.0018 0.0006 -0.0016 3992 TRP 41 NE1 -0.0019 0.0011 -0.0016 3993 TRP 41 CE2 -0.0018 0.0008 -0.0014 3994 TRP 41 CE3 -0.0017 0.0002 -0.0014 3995 TRP 41 CZ2 -0.0016 0.0008 -0.0011 3996 TRP 41 CZ3 -0.0015 0.0002 -0.0011 3997 TRP 41 CH2 -0.0015 0.0005 -0.0009 3998 TRP 41 H -0.0020 -0.0000 -0.0023 3999 TRP 41 HA -0.0019 0.0000 -0.0020 4000 TRP 41 HB2 -0.0019 0.0005 -0.0020 4001 TRP 41 HB3 -0.0021 0.0006 -0.0023 4002 TRP 41 HD1 -0.0021 0.0012 -0.0021 4003 TRP 41 HE1 -0.0019 0.0014 -0.0015 4004 TRP 41 HE3 -0.0017 0.0000 -0.0015 4005 TRP 41 HZ2 -0.0016 0.0010 -0.0010 4006 TRP 41 HZ3 -0.0015 -0.0001 -0.0010 4007 TRP 41 HH2 -0.0014 0.0004 -0.0007 4008 HIS 42 N -0.0022 0.0002 -0.0028 4009 HIS 42 CA -0.0023 0.0002 -0.0031 4010 HIS 42 C -0.0024 0.0001 -0.0034 4011 HIS 42 O -0.0025 0.0002 -0.0035 4012 HIS 42 CB -0.0024 0.0006 -0.0031 4013 HIS 42 CG -0.0025 0.0007 -0.0033 4014 HIS 42 ND1 -0.0024 0.0008 -0.0031 4015 HIS 42 CD2 -0.0026 0.0006 -0.0037 4016 HIS 42 CE1 -0.0025 0.0008 -0.0034 4017 HIS 42 NE2 -0.0026 0.0007 -0.0037 4018 HIS 42 H -0.0022 0.0002 -0.0028 4019 HIS 42 HA -0.0023 0.0000 -0.0031 4020 HIS 42 HB2 -0.0023 0.0007 -0.0029 4021 HIS 42 HB3 -0.0025 0.0007 -0.0033 4022 HIS 42 HD2 -0.0027 0.0005 -0.0039 4023 HIS 42 HE1 -0.0025 0.0009 -0.0033 4024 HIS 42 HE2 -0.0027 0.0007 -0.0039 4025 VAL 43 N -0.0057 0.0002 -0.0063 4026 VAL 43 CA -0.0049 0.0001 -0.0061 4027 VAL 43 C -0.0057 0.0001 -0.0074 4028 VAL 43 O -0.0058 0.0001 -0.0090 4029 VAL 43 CB -0.0029 -0.0002 -0.0063 4030 VAL 43 CG1 -0.0025 -0.0003 -0.0080 4031 VAL 43 CG2 -0.0021 -0.0003 -0.0063 4032 VAL 43 H -0.0058 0.0001 -0.0074 4033 VAL 43 HA -0.0052 0.0001 -0.0049 4034 VAL 43 HB -0.0024 -0.0002 -0.0053 4035 VAL 43 HG11 -0.0028 -0.0002 -0.0079 4036 VAL 43 HG12 -0.0011 -0.0004 -0.0082 4037 VAL 43 HG13 -0.0031 -0.0002 -0.0091 4038 VAL 43 HG21 -0.0025 -0.0002 -0.0051 4039 VAL 43 HG22 -0.0026 -0.0002 -0.0074 4040 VAL 43 HG23 -0.0007 -0.0004 -0.0063 4041 GLU 44 N -0.0063 0.0002 -0.0068 4042 GLU 44 CA -0.0071 0.0003 -0.0077 4043 GLU 44 C -0.0059 0.0001 -0.0090 4044 GLU 44 O -0.0047 -0.0000 -0.0085 4045 GLU 44 CB -0.0079 0.0004 -0.0065 4046 GLU 44 CG -0.0095 0.0006 -0.0056 4047 GLU 44 CD -0.0099 0.0007 -0.0040 4048 GLU 44 OE1 -0.0092 0.0007 -0.0026 4049 GLU 44 OE2 -0.0109 0.0009 -0.0042 4050 GLU 44 H -0.0061 0.0002 -0.0055 4051 GLU 44 HA -0.0082 0.0004 -0.0084 4052 GLU 44 HB2 -0.0069 0.0003 -0.0055 4053 GLU 44 HB3 -0.0081 0.0004 -0.0072 4054 GLU 44 HG2 -0.0105 0.0007 -0.0065 4055 GLU 44 HG3 -0.0093 0.0006 -0.0052 4056 ASP 45 N -0.0063 0.0001 -0.0107 4057 ASP 45 CA -0.0053 -0.0000 -0.0121 4058 ASP 45 C -0.0058 0.0000 -0.0124 4059 ASP 45 O -0.0060 -0.0000 -0.0139 4060 ASP 45 CB -0.0055 -0.0001 -0.0137 4061 ASP 45 CG -0.0073 0.0001 -0.0143 4062 ASP 45 OD1 -0.0084 0.0003 -0.0133 4063 ASP 45 OD2 -0.0078 0.0001 -0.0157 4064 ASP 45 H -0.0073 0.0002 -0.0110 4065 ASP 45 HA -0.0040 -0.0002 -0.0117 4066 ASP 45 HB2 -0.0048 -0.0002 -0.0147 4067 ASP 45 HB3 -0.0050 -0.0001 -0.0134 4068 GLY 46 N -0.0060 0.0001 -0.0111 4069 GLY 46 CA -0.0065 0.0001 -0.0113 4070 GLY 46 C -0.0053 -0.0000 -0.0106 4071 GLY 46 O -0.0055 0.0000 -0.0107 4072 GLY 46 H -0.0058 0.0001 -0.0099 4073 GLY 46 HA2 -0.0067 0.0001 -0.0126 4074 GLY 46 HA3 -0.0077 0.0003 -0.0106 4075 GLY 47 N -0.0038 -0.0002 -0.0098 4076 GLY 47 CA -0.0026 -0.0003 -0.0091 4077 GLY 47 C -0.0013 -0.0004 -0.0079 4078 GLY 47 O 0.0002 -0.0006 -0.0082 4079 GLY 47 H -0.0037 -0.0002 -0.0097 4080 GLY 47 HA2 -0.0019 -0.0004 -0.0102 4081 GLY 47 HA3 -0.0033 -0.0002 -0.0085 4082 PRO 48 N -0.0019 -0.0003 -0.0064 4083 PRO 48 CA -0.0008 -0.0004 -0.0051 4084 PRO 48 C 0.0004 -0.0005 -0.0056 4085 PRO 48 O 0.0013 -0.0007 -0.0069 4086 PRO 48 CB -0.0021 -0.0002 -0.0038 4087 PRO 48 CG -0.0036 -0.0000 -0.0040 4088 PRO 48 CD -0.0037 -0.0001 -0.0059 4089 PRO 48 HA -0.0000 -0.0005 -0.0045 4090 PRO 48 HB2 -0.0024 -0.0002 -0.0040 4091 PRO 48 HB3 -0.0016 -0.0002 -0.0025 4092 PRO 48 HG2 -0.0047 0.0001 -0.0035 4093 PRO 48 HG3 -0.0034 -0.0000 -0.0034 4094 PRO 48 HD2 -0.0044 0.0000 -0.0065 4095 PRO 48 HD3 -0.0044 0.0000 -0.0062 4096 ALA 49 N -0.0009 0.0005 -0.0051 4097 ALA 49 CA -0.0003 0.0004 -0.0053 4098 ALA 49 C -0.0002 0.0007 -0.0068 4099 ALA 49 O 0.0009 0.0006 -0.0073 4100 ALA 49 CB -0.0010 0.0004 -0.0043 4101 ALA 49 H -0.0016 0.0004 -0.0043 4102 ALA 49 HA 0.0008 0.0002 -0.0049 4103 ALA 49 HB1 -0.0002 0.0001 -0.0036 4104 ALA 49 HB2 -0.0016 0.0006 -0.0049 4105 ALA 49 HB3 -0.0018 0.0004 -0.0036 4106 SER 50 N -0.0013 0.0010 -0.0076 4107 SER 50 CA -0.0014 0.0013 -0.0090 4108 SER 50 C -0.0002 0.0012 -0.0100 4109 SER 50 O 0.0007 0.0012 -0.0106 4110 SER 50 CB -0.0028 0.0016 -0.0097 4111 SER 50 OG -0.0037 0.0017 -0.0096 4112 SER 50 H -0.0022 0.0010 -0.0072 4113 SER 50 HA -0.0013 0.0012 -0.0090 4114 SER 50 HB2 -0.0033 0.0015 -0.0091 4115 SER 50 HB3 -0.0026 0.0017 -0.0108 4116 SER 50 HG -0.0047 0.0018 -0.0096 4117 GLU 51 N -0.0001 0.0013 -0.0101 4118 GLU 51 CA 0.0009 0.0013 -0.0110 4119 GLU 51 C 0.0024 0.0009 -0.0104 4120 GLU 51 O 0.0035 0.0009 -0.0112 4121 GLU 51 CB 0.0006 0.0013 -0.0111 4122 GLU 51 CG -0.0009 0.0016 -0.0115 4123 GLU 51 CD -0.0010 0.0018 -0.0124 4124 GLU 51 OE1 -0.0004 0.0017 -0.0121 4125 GLU 51 OE2 -0.0017 0.0021 -0.0135 4126 GLU 51 H -0.0008 0.0013 -0.0096 4127 GLU 51 HA 0.0009 0.0015 -0.0120 4128 GLU 51 HB2 0.0008 0.0011 -0.0100 4129 GLU 51 HB3 0.0013 0.0013 -0.0118 4130 GLU 51 HG2 -0.0013 0.0018 -0.0120 4131 GLU 51 HG3 -0.0015 0.0015 -0.0105 4132 ALA 52 N 0.0025 0.0007 -0.0090 4133 ALA 52 CA 0.0038 0.0004 -0.0083 4134 ALA 52 C 0.0044 0.0004 -0.0089 4135 ALA 52 O 0.0058 0.0002 -0.0090 4136 ALA 52 CB 0.0035 0.0001 -0.0067 4137 ALA 52 H 0.0016 0.0007 -0.0085 4138 ALA 52 HA 0.0045 0.0003 -0.0086 4139 ALA 52 HB1 0.0028 0.0002 -0.0064 4140 ALA 52 HB2 0.0045 -0.0001 -0.0062 4141 ALA 52 HB3 0.0030 0.0002 -0.0065 4142 GLY 53 N 0.0035 0.0006 -0.0093 4143 GLY 53 CA 0.0040 0.0006 -0.0099 4144 GLY 53 C 0.0032 0.0006 -0.0093 4145 GLY 53 O 0.0034 0.0007 -0.0099 4146 GLY 53 H 0.0025 0.0007 -0.0093 4147 GLY 53 HA2 0.0040 0.0008 -0.0111 4148 GLY 53 HA3 0.0051 0.0004 -0.0096 4149 LEU 54 N 0.0023 0.0006 -0.0083 4150 LEU 54 CA 0.0014 0.0006 -0.0077 4151 LEU 54 C 0.0003 0.0009 -0.0087 4152 LEU 54 O -0.0006 0.0012 -0.0091 4153 LEU 54 CB 0.0007 0.0005 -0.0063 4154 LEU 54 CG 0.0005 0.0003 -0.0051 4155 LEU 54 CD1 -0.0003 0.0002 -0.0038 4156 LEU 54 CD2 -0.0002 0.0005 -0.0057 4157 LEU 54 H 0.0022 0.0005 -0.0079 4158 LEU 54 HA 0.0021 0.0005 -0.0074 4159 LEU 54 HB2 0.0013 0.0003 -0.0058 4160 LEU 54 HB3 -0.0004 0.0007 -0.0065 4161 LEU 54 HG 0.0016 0.0001 -0.0048 4162 LEU 54 HD11 0.0004 -0.0000 -0.0033 4163 LEU 54 HD12 -0.0005 0.0001 -0.0031 4164 LEU 54 HD13 -0.0013 0.0004 -0.0041 4165 LEU 54 HD21 -0.0013 0.0007 -0.0059 4166 LEU 54 HD22 -0.0002 0.0004 -0.0049 4167 LEU 54 HD23 0.0003 0.0006 -0.0067 4168 ARG 55 N 0.0000 0.0010 -0.0039 4169 ARG 55 CA -0.0001 0.0011 -0.0040 4170 ARG 55 C -0.0003 0.0012 -0.0038 4171 ARG 55 O -0.0003 0.0011 -0.0036 4172 ARG 55 CB 0.0000 0.0011 -0.0041 4173 ARG 55 CG 0.0001 0.0010 -0.0039 4174 ARG 55 CD -0.0000 0.0010 -0.0038 4175 ARG 55 NE -0.0000 0.0011 -0.0040 4176 ARG 55 CZ -0.0001 0.0011 -0.0040 4177 ARG 55 NH1 -0.0003 0.0012 -0.0038 4178 ARG 55 NH2 -0.0001 0.0012 -0.0042 4179 ARG 55 H 0.0002 0.0009 -0.0038 4180 ARG 55 HA -0.0002 0.0012 -0.0041 4181 ARG 55 HB2 -0.0001 0.0012 -0.0041 4182 ARG 55 HB3 0.0001 0.0010 -0.0042 4183 ARG 55 HG2 0.0003 0.0009 -0.0040 4184 ARG 55 HG3 0.0001 0.0009 -0.0037 4185 ARG 55 HD2 0.0001 0.0010 -0.0037 4186 ARG 55 HD3 -0.0002 0.0011 -0.0037 4187 ARG 55 HE 0.0001 0.0011 -0.0042 4188 ARG 55 HH11 -0.0003 0.0011 -0.0036 4189 ARG 55 HH12 -0.0003 0.0012 -0.0038 4190 ARG 55 HH21 -0.0000 0.0012 -0.0043 4191 ARG 55 HH22 -0.0002 0.0012 -0.0042 4192 GLN 56 N -0.0005 0.0013 -0.0038 4193 GLN 56 CA -0.0007 0.0014 -0.0036 4194 GLN 56 C -0.0007 0.0013 -0.0036 4195 GLN 56 O -0.0006 0.0013 -0.0037 4196 GLN 56 CB -0.0009 0.0015 -0.0038 4197 GLN 56 CG -0.0011 0.0016 -0.0036 4198 GLN 56 CD -0.0013 0.0017 -0.0037 4199 GLN 56 OE1 -0.0013 0.0017 -0.0038 4200 GLN 56 NE2 -0.0015 0.0018 -0.0036 4201 GLN 56 H -0.0005 0.0013 -0.0040 4202 GLN 56 HA -0.0007 0.0013 -0.0035 4203 GLN 56 HB2 -0.0009 0.0015 -0.0038 4204 GLN 56 HB3 -0.0009 0.0015 -0.0039 4205 GLN 56 HG2 -0.0012 0.0016 -0.0036 4206 GLN 56 HG3 -0.0011 0.0015 -0.0034 4207 GLN 56 HE21 -0.0015 0.0018 -0.0035 4208 GLN 56 HE22 -0.0017 0.0019 -0.0037 4209 GLY 57 N -0.0007 0.0013 -0.0033 4210 GLY 57 CA -0.0007 0.0013 -0.0033 4211 GLY 57 C -0.0005 0.0012 -0.0032 4212 GLY 57 O -0.0004 0.0011 -0.0033 4213 GLY 57 H -0.0008 0.0013 -0.0032 4214 GLY 57 HA2 -0.0008 0.0013 -0.0031 4215 GLY 57 HA3 -0.0008 0.0013 -0.0034 4216 ASP 58 N -0.0004 0.0011 -0.0030 4217 ASP 58 CA -0.0002 0.0009 -0.0029 4218 ASP 58 C -0.0002 0.0009 -0.0027 4219 ASP 58 O -0.0003 0.0009 -0.0026 4220 ASP 58 CB -0.0000 0.0009 -0.0031 4221 ASP 58 CG 0.0002 0.0008 -0.0031 4222 ASP 58 OD1 0.0003 0.0007 -0.0030 4223 ASP 58 OD2 0.0003 0.0008 -0.0033 4224 ASP 58 H -0.0005 0.0011 -0.0029 4225 ASP 58 HA -0.0001 0.0009 -0.0030 4226 ASP 58 HB2 -0.0001 0.0010 -0.0033 4227 ASP 58 HB3 0.0000 0.0009 -0.0030 4228 LEU 59 N -0.0000 0.0008 -0.0025 4229 LEU 59 CA -0.0000 0.0007 -0.0023 4230 LEU 59 C 0.0002 0.0006 -0.0022 4231 LEU 59 O 0.0003 0.0006 -0.0023 4232 LEU 59 CB 0.0000 0.0007 -0.0022 4233 LEU 59 CG 0.0001 0.0006 -0.0019 4234 LEU 59 CD1 -0.0001 0.0007 -0.0017 4235 LEU 59 CD2 0.0002 0.0005 -0.0018 4236 LEU 59 H 0.0001 0.0008 -0.0026 4237 LEU 59 HA -0.0002 0.0008 -0.0022 4238 LEU 59 HB2 -0.0001 0.0008 -0.0022 4239 LEU 59 HB3 0.0001 0.0006 -0.0023 4240 LEU 59 HG 0.0002 0.0005 -0.0019 4241 LEU 59 HD11 -0.0002 0.0007 -0.0017 4242 LEU 59 HD12 -0.0001 0.0006 -0.0015 4243 LEU 59 HD13 -0.0002 0.0007 -0.0017 4244 LEU 59 HD21 0.0001 0.0006 -0.0019 4245 LEU 59 HD22 0.0003 0.0005 -0.0017 4246 LEU 59 HD23 0.0004 0.0005 -0.0020 4247 ILE 60 N 0.0001 0.0006 -0.0021 4248 ILE 60 CA 0.0003 0.0005 -0.0020 4249 ILE 60 C 0.0004 0.0004 -0.0018 4250 ILE 60 O 0.0003 0.0004 -0.0016 4251 ILE 60 CB 0.0001 0.0006 -0.0019 4252 ILE 60 CG1 0.0000 0.0007 -0.0021 4253 ILE 60 CG2 0.0003 0.0005 -0.0018 4254 ILE 60 CD1 -0.0002 0.0008 -0.0022 4255 ILE 60 H -0.0001 0.0007 -0.0020 4256 ILE 60 HA 0.0004 0.0005 -0.0022 4257 ILE 60 HB 0.0000 0.0006 -0.0018 4258 ILE 60 HG12 0.0000 0.0007 -0.0021 4259 ILE 60 HG13 0.0002 0.0006 -0.0023 4260 ILE 60 HG21 0.0002 0.0005 -0.0018 4261 ILE 60 HG22 0.0004 0.0004 -0.0020 4262 ILE 60 HG23 0.0004 0.0004 -0.0017 4263 ILE 60 HD11 -0.0002 0.0009 -0.0024 4264 ILE 60 HD12 -0.0003 0.0008 -0.0020 4265 ILE 60 HD13 -0.0002 0.0008 -0.0023 4266 THR 61 N -0.0001 0.0025 -0.0034 4267 THR 61 CA -0.0001 0.0026 -0.0034 4268 THR 61 C 0.0004 0.0022 -0.0027 4269 THR 61 O 0.0002 0.0017 -0.0026 4270 THR 61 CB 0.0002 0.0036 -0.0039 4271 THR 61 OG1 0.0010 0.0040 -0.0034 4272 THR 61 CG2 -0.0003 0.0040 -0.0046 4273 THR 61 H 0.0004 0.0029 -0.0032 4274 THR 61 HA -0.0007 0.0022 -0.0038 4275 THR 61 HB 0.0000 0.0036 -0.0040 4276 THR 61 HG1 0.0013 0.0040 -0.0031 4277 THR 61 HG21 -0.0001 0.0040 -0.0045 4278 THR 61 HG22 -0.0009 0.0037 -0.0050 4279 THR 61 HG23 -0.0001 0.0047 -0.0049 4280 HIS 62 N 0.0011 0.0023 -0.0021 4281 HIS 62 CA 0.0017 0.0020 -0.0014 4282 HIS 62 C 0.0020 0.0016 -0.0008 4283 HIS 62 O 0.0020 0.0019 -0.0009 4284 HIS 62 CB 0.0023 0.0027 -0.0013 4285 HIS 62 CG 0.0020 0.0031 -0.0018 4286 HIS 62 ND1 0.0018 0.0038 -0.0025 4287 HIS 62 CD2 0.0020 0.0028 -0.0016 4288 HIS 62 CE1 0.0016 0.0039 -0.0028 4289 HIS 62 NE2 0.0017 0.0033 -0.0023 4290 HIS 62 H 0.0012 0.0027 -0.0022 4291 HIS 62 HA 0.0014 0.0014 -0.0013 4292 HIS 62 HB2 0.0026 0.0033 -0.0014 4293 HIS 62 HB3 0.0028 0.0025 -0.0007 4294 HIS 62 HD2 0.0021 0.0022 -0.0011 4295 HIS 62 HE1 0.0014 0.0044 -0.0033 4296 HIS 62 HE2 0.0017 0.0034 -0.0023 4297 VAL 63 N 0.0024 0.0011 -0.0001 4298 VAL 63 CA 0.0027 0.0007 0.0005 4299 VAL 63 C 0.0035 0.0006 0.0013 4300 VAL 63 O 0.0034 0.0001 0.0016 4301 VAL 63 CB 0.0022 -0.0002 0.0006 4302 VAL 63 CG1 0.0018 -0.0009 0.0008 4303 VAL 63 CG2 0.0026 -0.0005 0.0013 4304 VAL 63 H 0.0023 0.0009 0.0000 4305 VAL 63 HA 0.0029 0.0012 0.0004 4306 VAL 63 HB 0.0017 -0.0001 0.0001 4307 VAL 63 HG11 0.0015 -0.0006 0.0003 4308 VAL 63 HG12 0.0014 -0.0015 0.0008 4309 VAL 63 HG13 0.0023 -0.0010 0.0013 4310 VAL 63 HG21 0.0025 -0.0003 0.0010 4311 VAL 63 HG22 0.0032 -0.0003 0.0017 4312 VAL 63 HG23 0.0023 -0.0012 0.0015 4313 ASN 64 N 0.0042 0.0012 0.0015 4314 ASN 64 CA 0.0049 0.0012 0.0022 4315 ASN 64 C 0.0050 0.0014 0.0022 4316 ASN 64 O 0.0053 0.0010 0.0027 4317 ASN 64 CB 0.0050 0.0003 0.0029 4318 ASN 64 CG 0.0058 0.0004 0.0036 4319 ASN 64 OD1 0.0062 0.0011 0.0036 4320 ASN 64 ND2 0.0060 -0.0003 0.0043 4321 ASN 64 H 0.0042 0.0016 0.0012 4322 ASN 64 HA 0.0054 0.0017 0.0023 4323 ASN 64 HB2 0.0045 -0.0000 0.0027 4324 ASN 64 HB3 0.0048 -0.0001 0.0030 4325 ASN 64 HD21 0.0056 -0.0008 0.0043 4326 ASN 64 HD22 0.0065 -0.0002 0.0047 4327 GLY 65 N 0.0047 0.0019 0.0015 4328 GLY 65 CA 0.0047 0.0021 0.0014 4329 GLY 65 C 0.0041 0.0014 0.0013 4330 GLY 65 O 0.0043 0.0012 0.0017 4331 GLY 65 H 0.0044 0.0022 0.0011 4332 GLY 65 HA2 0.0046 0.0027 0.0008 4333 GLY 65 HA3 0.0053 0.0023 0.0018 4334 GLU 66 N 0.0034 0.0010 0.0010 4335 GLU 66 CA 0.0028 0.0003 0.0009 4336 GLU 66 C 0.0020 0.0003 0.0001 4337 GLU 66 O 0.0018 0.0001 0.0000 4338 GLU 66 CB 0.0028 -0.0006 0.0015 4339 GLU 66 CG 0.0024 -0.0014 0.0017 4340 GLU 66 CD 0.0026 -0.0012 0.0017 4341 GLU 66 OE1 0.0033 -0.0011 0.0023 4342 GLU 66 OE2 0.0021 -0.0011 0.0012 4343 GLU 66 H 0.0033 0.0012 0.0007 4344 GLU 66 HA 0.0028 0.0003 0.0009 4345 GLU 66 HB2 0.0035 -0.0005 0.0020 4346 GLU 66 HB3 0.0026 -0.0008 0.0014 4347 GLU 66 HG2 0.0026 -0.0019 0.0023 4348 GLU 66 HG3 0.0018 -0.0016 0.0013 4349 PRO 67 N 0.0002 0.0006 -0.0008 4350 PRO 67 CA -0.0001 0.0007 -0.0010 4351 PRO 67 C -0.0002 0.0004 -0.0010 4352 PRO 67 O -0.0002 0.0001 -0.0009 4353 PRO 67 CB -0.0003 0.0006 -0.0011 4354 PRO 67 CG -0.0001 0.0005 -0.0009 4355 PRO 67 CD 0.0003 0.0006 -0.0008 4356 PRO 67 HA -0.0001 0.0009 -0.0010 4357 PRO 67 HB2 -0.0005 0.0005 -0.0011 4358 PRO 67 HB3 -0.0004 0.0009 -0.0012 4359 PRO 67 HG2 -0.0002 0.0002 -0.0009 4360 PRO 67 HG3 -0.0002 0.0006 -0.0010 4361 PRO 67 HD2 0.0004 0.0004 -0.0007 4362 PRO 67 HD3 0.0004 0.0008 -0.0008 4363 VAL 68 N -0.0003 0.0005 -0.0010 4364 VAL 68 CA -0.0004 0.0003 -0.0010 4365 VAL 68 C -0.0008 0.0002 -0.0012 4366 VAL 68 O -0.0009 -0.0000 -0.0012 4367 VAL 68 CB -0.0004 0.0005 -0.0011 4368 VAL 68 CG1 0.0000 0.0006 -0.0009 4369 VAL 68 CG2 -0.0005 0.0008 -0.0012 4370 VAL 68 H -0.0003 0.0008 -0.0011 4371 VAL 68 HA -0.0003 0.0001 -0.0009 4372 VAL 68 HB -0.0004 0.0003 -0.0010 4373 VAL 68 HG11 0.0001 0.0008 -0.0009 4374 VAL 68 HG12 0.0001 0.0004 -0.0008 4375 VAL 68 HG13 0.0001 0.0007 -0.0009 4376 VAL 68 HG21 -0.0008 0.0007 -0.0013 4377 VAL 68 HG22 -0.0005 0.0010 -0.0012 4378 VAL 68 HG23 -0.0005 0.0009 -0.0012 4379 HIS 69 N -0.0009 0.0004 -0.0013 4380 HIS 69 CA -0.0013 0.0004 -0.0015 4381 HIS 69 C -0.0014 -0.0000 -0.0014 4382 HIS 69 O -0.0013 -0.0001 -0.0014 4383 HIS 69 CB -0.0013 0.0006 -0.0015 4384 HIS 69 CG -0.0013 0.0010 -0.0016 4385 HIS 69 ND1 -0.0014 0.0012 -0.0018 4386 HIS 69 CD2 -0.0011 0.0012 -0.0016 4387 HIS 69 CE1 -0.0014 0.0015 -0.0018 4388 HIS 69 NE2 -0.0012 0.0015 -0.0017 4389 HIS 69 H -0.0008 0.0006 -0.0013 4390 HIS 69 HA -0.0014 0.0004 -0.0015 4391 HIS 69 HB2 -0.0011 0.0006 -0.0014 4392 HIS 69 HB3 -0.0015 0.0006 -0.0016 4393 HIS 69 HD2 -0.0010 0.0010 -0.0015 4394 HIS 69 HE1 -0.0015 0.0018 -0.0019 4395 HIS 69 HE2 -0.0012 0.0017 -0.0018 4396 GLY 70 N -0.0015 -0.0002 -0.0014 4397 GLY 70 CA -0.0016 -0.0006 -0.0014 4398 GLY 70 C -0.0014 -0.0009 -0.0012 4399 GLY 70 O -0.0015 -0.0012 -0.0012 4400 GLY 70 H -0.0016 -0.0001 -0.0015 4401 GLY 70 HA2 -0.0019 -0.0006 -0.0015 4402 GLY 70 HA3 -0.0016 -0.0006 -0.0014 4403 LEU 71 N -0.0012 -0.0007 -0.0011 4404 LEU 71 CA -0.0010 -0.0009 -0.0010 4405 LEU 71 C -0.0011 -0.0010 -0.0010 4406 LEU 71 O -0.0013 -0.0008 -0.0011 4407 LEU 71 CB -0.0006 -0.0008 -0.0008 4408 LEU 71 CG -0.0004 -0.0007 -0.0008 4409 LEU 71 CD1 -0.0000 -0.0006 -0.0006 4410 LEU 71 CD2 -0.0004 -0.0010 -0.0007 4411 LEU 71 H -0.0011 -0.0005 -0.0012 4412 LEU 71 HA -0.0009 -0.0012 -0.0009 4413 LEU 71 HB2 -0.0006 -0.0005 -0.0009 4414 LEU 71 HB3 -0.0005 -0.0009 -0.0008 4415 LEU 71 HG -0.0005 -0.0005 -0.0009 4416 LEU 71 HD11 0.0001 -0.0006 -0.0005 4417 LEU 71 HD12 0.0000 -0.0007 -0.0005 4418 LEU 71 HD13 -0.0000 -0.0003 -0.0007 4419 LEU 71 HD21 -0.0006 -0.0011 -0.0008 4420 LEU 71 HD22 -0.0003 -0.0012 -0.0006 4421 LEU 71 HD23 -0.0002 -0.0010 -0.0006 4422 VAL 72 N -0.0011 -0.0014 -0.0009 4423 VAL 72 CA -0.0012 -0.0015 -0.0010 4424 VAL 72 C -0.0010 -0.0013 -0.0009 4425 VAL 72 O -0.0007 -0.0012 -0.0008 4426 VAL 72 CB -0.0013 -0.0019 -0.0009 4427 VAL 72 CG1 -0.0010 -0.0020 -0.0007 4428 VAL 72 CG2 -0.0016 -0.0020 -0.0010 4429 VAL 72 H -0.0010 -0.0015 -0.0008 4430 VAL 72 HA -0.0015 -0.0014 -0.0011 4431 VAL 72 HB -0.0013 -0.0020 -0.0008 4432 VAL 72 HG11 -0.0010 -0.0020 -0.0007 4433 VAL 72 HG12 -0.0008 -0.0019 -0.0006 4434 VAL 72 HG13 -0.0010 -0.0023 -0.0006 4435 VAL 72 HG21 -0.0016 -0.0023 -0.0009 4436 VAL 72 HG22 -0.0018 -0.0019 -0.0011 4437 VAL 72 HG23 -0.0016 -0.0019 -0.0010 4438 HIS 73 N -0.0018 -0.0017 0.0004 4439 HIS 73 CA -0.0018 -0.0017 0.0003 4440 HIS 73 C -0.0015 -0.0017 0.0007 4441 HIS 73 O -0.0013 -0.0015 0.0006 4442 HIS 73 CB -0.0022 -0.0019 0.0002 4443 HIS 73 CG -0.0023 -0.0019 0.0001 4444 HIS 73 ND1 -0.0023 -0.0017 -0.0002 4445 HIS 73 CD2 -0.0023 -0.0021 0.0004 4446 HIS 73 CE1 -0.0024 -0.0018 -0.0002 4447 HIS 73 NE2 -0.0024 -0.0020 0.0002 4448 HIS 73 H -0.0020 -0.0018 0.0003 4449 HIS 73 HA -0.0017 -0.0014 0.0000 4450 HIS 73 HB2 -0.0024 -0.0019 -0.0000 4451 HIS 73 HB3 -0.0023 -0.0021 0.0005 4452 HIS 73 HD1 -0.0023 -0.0016 -0.0005 4453 HIS 73 HD2 -0.0023 -0.0023 0.0007 4454 HIS 73 HE1 -0.0024 -0.0017 -0.0004 4455 THR 74 N -0.0016 -0.0019 0.0010 4456 THR 74 CA -0.0014 -0.0020 0.0014 4457 THR 74 C -0.0010 -0.0018 0.0016 4458 THR 74 O -0.0008 -0.0018 0.0019 4459 THR 74 CB -0.0017 -0.0023 0.0017 4460 THR 74 OG1 -0.0016 -0.0024 0.0019 4461 THR 74 CG2 -0.0021 -0.0025 0.0015 4462 THR 74 H -0.0018 -0.0021 0.0011 4463 THR 74 HA -0.0014 -0.0020 0.0013 4464 THR 74 HB -0.0016 -0.0024 0.0020 4465 THR 74 HG1 -0.0015 -0.0025 0.0022 4466 THR 74 HG21 -0.0022 -0.0026 0.0015 4467 THR 74 HG22 -0.0023 -0.0027 0.0017 4468 THR 74 HG23 -0.0022 -0.0024 0.0012 4469 GLU 75 N -0.0009 -0.0017 0.0015 4470 GLU 75 CA -0.0005 -0.0015 0.0016 4471 GLU 75 C -0.0002 -0.0012 0.0015 4472 GLU 75 O 0.0001 -0.0011 0.0017 4473 GLU 75 CB -0.0004 -0.0014 0.0015 4474 GLU 75 CG -0.0005 -0.0016 0.0018 4475 GLU 75 CD -0.0004 -0.0015 0.0017 4476 GLU 75 OE1 -0.0007 -0.0015 0.0014 4477 GLU 75 OE2 -0.0001 -0.0014 0.0020 4478 GLU 75 H -0.0011 -0.0017 0.0013 4479 GLU 75 HA -0.0004 -0.0016 0.0020 4480 GLU 75 HB2 -0.0006 -0.0013 0.0012 4481 GLU 75 HB3 -0.0001 -0.0012 0.0015 4482 GLU 75 HG2 -0.0004 -0.0016 0.0021 4483 GLU 75 HG3 -0.0008 -0.0018 0.0018 4484 VAL 76 N -0.0003 -0.0010 0.0011 4485 VAL 76 CA -0.0001 -0.0008 0.0009 4486 VAL 76 C -0.0000 -0.0009 0.0011 4487 VAL 76 O 0.0003 -0.0007 0.0012 4488 VAL 76 CB -0.0002 -0.0006 0.0004 4489 VAL 76 CG1 -0.0002 -0.0005 0.0002 4490 VAL 76 CG2 -0.0006 -0.0008 0.0003 4491 VAL 76 H -0.0006 -0.0011 0.0009 4492 VAL 76 HA 0.0002 -0.0006 0.0010 4493 VAL 76 HB -0.0000 -0.0004 0.0003 4494 VAL 76 HG11 -0.0004 -0.0006 0.0003 4495 VAL 76 HG12 0.0001 -0.0003 0.0003 4496 VAL 76 HG13 -0.0002 -0.0003 -0.0001 4497 VAL 76 HG21 -0.0008 -0.0011 0.0005 4498 VAL 76 HG22 -0.0008 -0.0008 -0.0000 4499 VAL 76 HG23 -0.0007 -0.0008 0.0002 4500 VAL 77 N -0.0004 -0.0011 0.0011 4501 VAL 77 CA -0.0004 -0.0012 0.0013 4502 VAL 77 C -0.0001 -0.0013 0.0018 4503 VAL 77 O 0.0001 -0.0012 0.0019 4504 VAL 77 CB -0.0008 -0.0016 0.0014 4505 VAL 77 CG1 -0.0009 -0.0017 0.0016 4506 VAL 77 CG2 -0.0011 -0.0015 0.0009 4507 VAL 77 H -0.0006 -0.0012 0.0010 4508 VAL 77 HA -0.0003 -0.0011 0.0012 4509 VAL 77 HB -0.0009 -0.0017 0.0015 4510 VAL 77 HG11 -0.0012 -0.0019 0.0016 4511 VAL 77 HG12 -0.0008 -0.0015 0.0014 4512 VAL 77 HG13 -0.0007 -0.0017 0.0019 4513 VAL 77 HG21 -0.0011 -0.0015 0.0008 4514 VAL 77 HG22 -0.0010 -0.0013 0.0007 4515 VAL 77 HG23 -0.0014 -0.0017 0.0009 4516 GLU 78 N -0.0001 -0.0014 0.0020 4517 GLU 78 CA 0.0001 -0.0015 0.0024 4518 GLU 78 C 0.0005 -0.0012 0.0024 4519 GLU 78 O 0.0008 -0.0012 0.0027 4520 GLU 78 CB -0.0000 -0.0017 0.0026 4521 GLU 78 CG -0.0004 -0.0020 0.0028 4522 GLU 78 CD -0.0004 -0.0022 0.0031 4523 GLU 78 OE1 -0.0001 -0.0022 0.0035 4524 GLU 78 OE2 -0.0006 -0.0023 0.0031 4525 GLU 78 H -0.0003 -0.0015 0.0019 4526 GLU 78 HA 0.0001 -0.0016 0.0026 4527 GLU 78 HB2 -0.0001 -0.0016 0.0024 4528 GLU 78 HB3 0.0002 -0.0016 0.0029 4529 GLU 78 HG2 -0.0003 -0.0021 0.0029 4530 GLU 78 HG3 -0.0006 -0.0021 0.0025 4531 LEU 79 N 0.0008 -0.0024 0.0040 4532 LEU 79 CA 0.0017 -0.0016 0.0040 4533 LEU 79 C 0.0021 -0.0013 0.0040 4534 LEU 79 O 0.0029 -0.0009 0.0045 4535 LEU 79 CB 0.0017 -0.0010 0.0030 4536 LEU 79 CG 0.0023 -0.0005 0.0031 4537 LEU 79 CD1 0.0033 0.0000 0.0036 4538 LEU 79 CD2 0.0021 -0.0011 0.0037 4539 LEU 79 H 0.0003 -0.0025 0.0035 4540 LEU 79 HA 0.0021 -0.0016 0.0046 4541 LEU 79 HB2 0.0010 -0.0014 0.0026 4542 LEU 79 HB3 0.0018 -0.0006 0.0024 4543 LEU 79 HG 0.0023 -0.0001 0.0023 4544 LEU 79 HD11 0.0034 0.0004 0.0032 4545 LEU 79 HD12 0.0038 0.0004 0.0036 4546 LEU 79 HD13 0.0034 -0.0004 0.0044 4547 LEU 79 HD21 0.0022 -0.0015 0.0045 4548 LEU 79 HD22 0.0026 -0.0007 0.0037 4549 LEU 79 HD23 0.0014 -0.0014 0.0033 4550 ILE 80 N 0.0015 -0.0014 0.0034 4551 ILE 80 CA 0.0018 -0.0011 0.0034 4552 ILE 80 C 0.0020 -0.0016 0.0044 4553 ILE 80 O 0.0027 -0.0012 0.0048 4554 ILE 80 CB 0.0011 -0.0013 0.0025 4555 ILE 80 CG1 0.0011 -0.0007 0.0015 4556 ILE 80 CG2 0.0013 -0.0012 0.0027 4557 ILE 80 CD1 0.0002 -0.0010 0.0006 4558 ILE 80 H 0.0009 -0.0017 0.0030 4559 ILE 80 HA 0.0024 -0.0005 0.0032 4560 ILE 80 HB 0.0005 -0.0019 0.0026 4561 ILE 80 HG12 0.0016 -0.0001 0.0013 4562 ILE 80 HG13 0.0013 -0.0005 0.0015 4563 ILE 80 HG21 0.0020 -0.0007 0.0029 4564 ILE 80 HG22 0.0010 -0.0018 0.0032 4565 ILE 80 HG23 0.0009 -0.0011 0.0019 4566 ILE 80 HD11 0.0003 -0.0005 -0.0001 4567 ILE 80 HD12 0.0001 -0.0011 0.0005 4568 ILE 80 HD13 -0.0003 -0.0015 0.0009 4569 LEU 81 N 0.0014 -0.0024 0.0049 4570 LEU 81 CA 0.0015 -0.0029 0.0059 4571 LEU 81 C 0.0023 -0.0026 0.0067 4572 LEU 81 O 0.0028 -0.0026 0.0074 4573 LEU 81 CB 0.0006 -0.0038 0.0062 4574 LEU 81 CG -0.0003 -0.0041 0.0054 4575 LEU 81 CD1 -0.0011 -0.0049 0.0057 4576 LEU 81 CD2 -0.0003 -0.0041 0.0054 4577 LEU 81 H 0.0008 -0.0026 0.0045 4578 LEU 81 HA 0.0016 -0.0027 0.0059 4579 LEU 81 HB2 0.0006 -0.0039 0.0063 4580 LEU 81 HB3 0.0007 -0.0041 0.0069 4581 LEU 81 HG -0.0003 -0.0037 0.0047 4582 LEU 81 HD11 -0.0017 -0.0052 0.0052 4583 LEU 81 HD12 -0.0010 -0.0053 0.0065 4584 LEU 81 HD13 -0.0011 -0.0049 0.0057 4585 LEU 81 HD21 -0.0002 -0.0044 0.0062 4586 LEU 81 HD22 -0.0009 -0.0043 0.0049 4587 LEU 81 HD23 0.0003 -0.0035 0.0052 4588 LYS 82 N 0.0024 -0.0025 0.0067 4589 LYS 82 CA 0.0032 -0.0022 0.0074 4590 LYS 82 C 0.0041 -0.0014 0.0074 4591 LYS 82 O 0.0047 -0.0013 0.0082 4592 LYS 82 CB 0.0031 -0.0021 0.0070 4593 LYS 82 CG 0.0036 -0.0021 0.0079 4594 LYS 82 CD 0.0039 -0.0016 0.0074 4595 LYS 82 CE 0.0031 -0.0020 0.0068 4596 LYS 82 NZ 0.0033 -0.0016 0.0065 4597 LYS 82 H 0.0020 -0.0025 0.0061 4598 LYS 82 HA 0.0031 -0.0027 0.0081 4599 LYS 82 HB2 0.0024 -0.0025 0.0068 4600 LYS 82 HB3 0.0034 -0.0015 0.0064 4601 LYS 82 HG2 0.0042 -0.0019 0.0084 4602 LYS 82 HG3 0.0031 -0.0028 0.0083 4603 LYS 82 HD2 0.0043 -0.0010 0.0070 4604 LYS 82 HD3 0.0043 -0.0016 0.0081 4605 LYS 82 HE2 0.0026 -0.0026 0.0073 4606 LYS 82 HE3 0.0027 -0.0019 0.0061 4607 LYS 82 HZ1 0.0028 -0.0018 0.0061 4608 LYS 82 HZ2 0.0037 -0.0016 0.0072 4609 LYS 82 HZ3 0.0038 -0.0010 0.0061 4610 SER 83 N 0.0041 -0.0009 0.0065 4611 SER 83 CA 0.0050 -0.0001 0.0064 4612 SER 83 C 0.0053 -0.0002 0.0071 4613 SER 83 O 0.0061 0.0003 0.0074 4614 SER 83 CB 0.0048 0.0004 0.0052 4615 SER 83 OG 0.0056 0.0012 0.0051 4616 SER 83 H 0.0036 -0.0010 0.0058 4617 SER 83 HA 0.0055 0.0002 0.0066 4618 SER 83 HB2 0.0047 0.0005 0.0047 4619 SER 83 HB3 0.0043 0.0001 0.0050 4620 SER 83 HG 0.0055 0.0012 0.0049 4621 GLY 84 N 0.0047 -0.0008 0.0073 4622 GLY 84 CA 0.0050 -0.0010 0.0079 4623 GLY 84 C 0.0045 -0.0011 0.0074 4624 GLY 84 O 0.0037 -0.0016 0.0071 4625 GLY 84 H 0.0041 -0.0012 0.0069 4626 GLY 84 HA2 0.0048 -0.0015 0.0086 4627 GLY 84 HA3 0.0057 -0.0004 0.0081 4628 ASN 85 N 0.0057 -0.0029 0.0080 4629 ASN 85 CA 0.0054 -0.0028 0.0075 4630 ASN 85 C 0.0053 -0.0020 0.0064 4631 ASN 85 O 0.0052 -0.0018 0.0059 4632 ASN 85 CB 0.0060 -0.0028 0.0081 4633 ASN 85 CG 0.0072 -0.0020 0.0083 4634 ASN 85 OD1 0.0075 -0.0013 0.0076 4635 ASN 85 ND2 0.0078 -0.0022 0.0091 4636 ASN 85 H 0.0065 -0.0026 0.0083 4637 ASN 85 HA 0.0046 -0.0034 0.0075 4638 ASN 85 HB2 0.0058 -0.0027 0.0077 4639 ASN 85 HB3 0.0060 -0.0034 0.0089 4640 ASN 85 HD21 0.0075 -0.0028 0.0097 4641 ASN 85 HD22 0.0085 -0.0017 0.0092 4642 LYS 86 N 0.0055 -0.0017 0.0060 4643 LYS 86 CA 0.0054 -0.0009 0.0050 4644 LYS 86 C 0.0053 -0.0008 0.0047 4645 LYS 86 O 0.0053 -0.0013 0.0053 4646 LYS 86 CB 0.0064 -0.0001 0.0048 4647 LYS 86 CG 0.0074 0.0001 0.0057 4648 LYS 86 CD 0.0084 0.0011 0.0053 4649 LYS 86 CE 0.0094 0.0013 0.0061 4650 LYS 86 NZ 0.0093 0.0011 0.0062 4651 LYS 86 H 0.0056 -0.0019 0.0065 4652 LYS 86 HA 0.0048 -0.0010 0.0044 4653 LYS 86 HB2 0.0064 0.0005 0.0041 4654 LYS 86 HB3 0.0065 -0.0001 0.0049 4655 LYS 86 HG2 0.0076 -0.0003 0.0064 4656 LYS 86 HG3 0.0074 -0.0000 0.0058 4657 LYS 86 HD2 0.0082 0.0015 0.0046 4658 LYS 86 HD3 0.0084 0.0012 0.0052 4659 LYS 86 HE2 0.0100 0.0019 0.0058 4660 LYS 86 HE3 0.0095 0.0008 0.0068 4661 LYS 86 HZ1 0.0089 0.0004 0.0068 4662 LYS 86 HZ2 0.0100 0.0015 0.0065 4663 LYS 86 HZ3 0.0089 0.0013 0.0055 4664 VAL 87 N 0.0051 -0.0002 0.0037 4665 VAL 87 CA 0.0049 -0.0001 0.0033 4666 VAL 87 C 0.0050 0.0008 0.0022 4667 VAL 87 O 0.0048 0.0011 0.0015 4668 VAL 87 CB 0.0039 -0.0009 0.0032 4669 VAL 87 CG1 0.0030 -0.0009 0.0024 4670 VAL 87 CG2 0.0037 -0.0008 0.0031 4671 VAL 87 H 0.0052 0.0002 0.0032 4672 VAL 87 HA 0.0055 -0.0000 0.0038 4673 VAL 87 HB 0.0038 -0.0014 0.0040 4674 VAL 87 HG11 0.0030 -0.0003 0.0016 4675 VAL 87 HG12 0.0031 -0.0009 0.0025 4676 VAL 87 HG13 0.0023 -0.0015 0.0024 4677 VAL 87 HG21 0.0039 -0.0002 0.0024 4678 VAL 87 HG22 0.0029 -0.0013 0.0029 4679 VAL 87 HG23 0.0042 -0.0010 0.0038 4680 ALA 88 N 0.0053 0.0012 0.0020 4681 ALA 88 CA 0.0054 0.0020 0.0010 4682 ALA 88 C 0.0044 0.0018 0.0002 4683 ALA 88 O 0.0043 0.0016 0.0003 4684 ALA 88 CB 0.0063 0.0026 0.0011 4685 ALA 88 H 0.0055 0.0009 0.0025 4686 ALA 88 HA 0.0055 0.0024 0.0006 4687 ALA 88 HB1 0.0070 0.0028 0.0016 4688 ALA 88 HB2 0.0063 0.0031 0.0004 4689 ALA 88 HB3 0.0062 0.0022 0.0016 4690 ILE 89 N 0.0038 0.0018 -0.0005 4691 ILE 89 CA 0.0028 0.0016 -0.0012 4692 ILE 89 C 0.0030 0.0025 -0.0022 4693 ILE 89 O 0.0032 0.0030 -0.0028 4694 ILE 89 CB 0.0019 0.0011 -0.0015 4695 ILE 89 CG1 0.0009 0.0010 -0.0024 4696 ILE 89 CG2 0.0022 0.0016 -0.0019 4697 ILE 89 CD1 -0.0000 0.0003 -0.0025 4698 ILE 89 H 0.0039 0.0019 -0.0005 4699 ILE 89 HA 0.0026 0.0012 -0.0009 4700 ILE 89 HB 0.0017 0.0005 -0.0008 4701 ILE 89 HG12 0.0010 0.0016 -0.0031 4702 ILE 89 HG13 0.0008 0.0008 -0.0022 4703 ILE 89 HG21 0.0028 0.0016 -0.0012 4704 ILE 89 HG22 0.0015 0.0013 -0.0021 4705 ILE 89 HG23 0.0025 0.0023 -0.0025 4706 ILE 89 HD11 -0.0006 0.0004 -0.0032 4707 ILE 89 HD12 0.0001 0.0005 -0.0025 4708 ILE 89 HD13 -0.0003 -0.0003 -0.0018 4709 SER 90 N 0.0029 0.0025 -0.0024 4710 SER 90 CA 0.0030 0.0033 -0.0033 4711 SER 90 C 0.0020 0.0032 -0.0043 4712 SER 90 O 0.0013 0.0027 -0.0043 4713 SER 90 CB 0.0035 0.0035 -0.0031 4714 SER 90 OG 0.0041 0.0044 -0.0036 4715 SER 90 H 0.0027 0.0020 -0.0019 4716 SER 90 HA 0.0036 0.0039 -0.0035 4717 SER 90 HB2 0.0039 0.0032 -0.0022 4718 SER 90 HB3 0.0029 0.0031 -0.0033 4719 SER 90 HG 0.0045 0.0047 -0.0037 4720 THR 91 N -0.0004 0.0020 -0.0057 4721 THR 91 CA 0.0007 0.0023 -0.0042 4722 THR 91 C -0.0001 0.0013 -0.0027 4723 THR 91 O -0.0015 0.0005 -0.0028 4724 THR 91 CB 0.0016 0.0028 -0.0036 4725 THR 91 OG1 0.0006 0.0020 -0.0034 4726 THR 91 CG2 0.0025 0.0038 -0.0050 4727 THR 91 H -0.0010 0.0017 -0.0058 4728 THR 91 HA 0.0014 0.0029 -0.0044 4729 THR 91 HB 0.0023 0.0029 -0.0024 4730 THR 91 HG1 0.0007 0.0018 -0.0022 4731 THR 91 HG21 0.0018 0.0037 -0.0061 4732 THR 91 HG22 0.0032 0.0043 -0.0052 4733 THR 91 HG23 0.0033 0.0042 -0.0045 4734 THR 92 N 0.0007 0.0015 -0.0013 4735 THR 92 CA -0.0000 0.0006 0.0001 4736 THR 92 C 0.0002 0.0003 0.0016 4737 THR 92 O 0.0014 0.0008 0.0025 4738 THR 92 CB 0.0006 0.0008 0.0007 4739 THR 92 OG1 0.0002 0.0000 0.0023 4740 THR 92 CG2 0.0023 0.0019 0.0009 4741 THR 92 H 0.0018 0.0022 -0.0013 4742 THR 92 HA -0.0012 -0.0001 -0.0004 4743 THR 92 HB 0.0002 0.0008 -0.0002 4744 THR 92 HG1 0.0006 0.0001 0.0032 4745 THR 92 HG21 0.0028 0.0019 0.0018 4746 THR 92 HG22 0.0026 0.0025 -0.0003 4747 THR 92 HG23 0.0027 0.0021 0.0013 4748 PRO 93 N -0.0010 -0.0006 0.0018 4749 PRO 93 CA -0.0010 -0.0010 0.0033 4750 PRO 93 C -0.0004 -0.0012 0.0050 4751 PRO 93 O -0.0002 -0.0010 0.0052 4752 PRO 93 CB -0.0026 -0.0021 0.0032 4753 PRO 93 CG -0.0033 -0.0020 0.0013 4754 PRO 93 CD -0.0025 -0.0013 0.0007 4755 PRO 93 HA -0.0003 -0.0005 0.0031 4756 PRO 93 HB2 -0.0032 -0.0027 0.0040 4757 PRO 93 HB3 -0.0027 -0.0023 0.0036 4758 PRO 93 HG2 -0.0045 -0.0028 0.0012 4759 PRO 93 HG3 -0.0031 -0.0017 0.0006 4760 PRO 93 HD2 -0.0031 -0.0017 0.0008 4761 PRO 93 HD3 -0.0024 -0.0008 -0.0006 4762 LEU 94 N -0.0003 -0.0015 0.0063 4763 LEU 94 CA 0.0002 -0.0016 0.0081 4764 LEU 94 C -0.0009 -0.0025 0.0087 4765 LEU 94 O -0.0021 -0.0032 0.0079 4766 LEU 94 CB 0.0004 -0.0019 0.0093 4767 LEU 94 CG 0.0003 -0.0017 0.0084 4768 LEU 94 CD1 -0.0013 -0.0027 0.0081 4769 LEU 94 CD2 0.0012 -0.0014 0.0095 4770 LEU 94 H -0.0006 -0.0016 0.0061 4771 LEU 94 HA 0.0013 -0.0009 0.0081 4772 LEU 94 HB2 -0.0004 -0.0027 0.0101 4773 LEU 94 HB3 0.0015 -0.0014 0.0101 4774 LEU 94 HG 0.0006 -0.0011 0.0072 4775 LEU 94 HD11 -0.0019 -0.0027 0.0069 4776 LEU 94 HD12 -0.0014 -0.0027 0.0081 4777 LEU 94 HD13 -0.0019 -0.0034 0.0092 4778 LEU 94 HD21 0.0024 -0.0006 0.0095 4779 LEU 94 HD22 0.0010 -0.0019 0.0108 4780 LEU 94 HD23 0.0010 -0.0013 0.0089 4781 GLU 95 N -0.0003 -0.0026 0.0101 4782 GLU 95 CA -0.0012 -0.0034 0.0109 4783 GLU 95 C -0.0006 -0.0035 0.0127 4784 GLU 95 O 0.0006 -0.0029 0.0134 4785 GLU 95 CB -0.0013 -0.0032 0.0099 4786 GLU 95 CG 0.0001 -0.0023 0.0100 4787 GLU 95 CD 0.0012 -0.0012 0.0089 4788 GLU 95 OE1 0.0010 -0.0009 0.0073 4789 GLU 95 OE2 0.0022 -0.0007 0.0096 4790 GLU 95 H 0.0007 -0.0021 0.0107 4791 GLU 95 HA -0.0023 -0.0042 0.0108 4792 GLU 95 HB2 -0.0021 -0.0039 0.0103 4793 GLU 95 HB3 -0.0017 -0.0030 0.0085 4794 GLU 95 HG2 0.0007 -0.0023 0.0113 4795 GLU 95 HG3 -0.0001 -0.0023 0.0097 4796 ASN 96 N -0.0013 -0.0043 0.0136 4797 ASN 96 CA -0.0008 -0.0045 0.0154 4798 ASN 96 C 0.0004 -0.0038 0.0156 4799 ASN 96 O 0.0002 -0.0036 0.0146 4800 ASN 96 CB -0.0021 -0.0057 0.0163 4801 ASN 96 CG -0.0031 -0.0060 0.0154 4802 ASN 96 OD1 -0.0028 -0.0059 0.0156 4803 ASN 96 ND2 -0.0042 -0.0065 0.0142 4804 ASN 96 OXT 0.0015 -0.0033 0.0167 4805 ASN 96 H -0.0023 -0.0048 0.0131 4806 ASN 96 HA -0.0003 -0.0044 0.0160 4807 ASN 96 HB2 -0.0017 -0.0057 0.0176 4808 ASN 96 HB3 -0.0028 -0.0062 0.0165 4809 ASN 96 HD21 -0.0044 -0.0066 0.0141 4810 ASN 96 HD22 -0.0049 -0.0067 0.0136 4811 SER 101 N 0.0094 -0.0046 0.0145 4812 SER 101 CA 0.0075 -0.0042 0.0122 4813 SER 101 C 0.0082 -0.0032 0.0110 4814 SER 101 O 0.0083 -0.0020 0.0089 4815 SER 101 CB 0.0049 -0.0057 0.0128 4816 SER 101 OG 0.0045 -0.0068 0.0146 4817 SER 101 H1 0.0112 -0.0037 0.0143 4818 SER 101 H2 0.0094 -0.0048 0.0148 4819 SER 101 H3 0.0089 -0.0056 0.0159 4820 SER 101 HA 0.0076 -0.0035 0.0110 4821 SER 101 HB2 0.0046 -0.0062 0.0135 4822 SER 101 HB3 0.0035 -0.0054 0.0111 4823 SER 101 HG 0.0035 -0.0079 0.0156 4824 TRP 102 N 0.0086 -0.0038 0.0124 4825 TRP 102 CA 0.0093 -0.0030 0.0115 4826 TRP 102 C 0.0120 -0.0025 0.0128 4827 TRP 102 O 0.0123 -0.0034 0.0147 4828 TRP 102 CB 0.0073 -0.0040 0.0118 4829 TRP 102 CG 0.0078 -0.0032 0.0107 4830 TRP 102 CD1 0.0093 -0.0016 0.0091 4831 TRP 102 CD2 0.0068 -0.0040 0.0113 4832 TRP 102 NE1 0.0093 -0.0013 0.0085 4833 TRP 102 CE2 0.0078 -0.0027 0.0098 4834 TRP 102 CE3 0.0052 -0.0055 0.0128 4835 TRP 102 CZ2 0.0072 -0.0030 0.0099 4836 TRP 102 CZ3 0.0047 -0.0058 0.0128 4837 TRP 102 CH2 0.0057 -0.0046 0.0114 4838 TRP 102 H 0.0085 -0.0048 0.0142 4839 TRP 102 HA 0.0093 -0.0019 0.0096 4840 TRP 102 HB2 0.0055 -0.0044 0.0109 4841 TRP 102 HB3 0.0074 -0.0051 0.0137 4842 TRP 102 HD1 0.0103 -0.0007 0.0083 4843 TRP 102 HE1 0.0102 -0.0003 0.0074 4844 TRP 102 HE3 0.0045 -0.0065 0.0139 4845 TRP 102 HZ2 0.0080 -0.0021 0.0088 4846 TRP 102 HZ3 0.0035 -0.0070 0.0140 4847 TRP 102 HH2 0.0052 -0.0049 0.0115 4848 GLU 103 N 0.0138 -0.0011 0.0119 4849 GLU 103 CA 0.0165 -0.0005 0.0129 4850 GLU 103 C 0.0173 0.0005 0.0117 4851 GLU 103 O 0.0187 0.0005 0.0129 4852 GLU 103 CB 0.0182 0.0004 0.0126 4853 GLU 103 CG 0.0179 -0.0006 0.0142 4854 GLU 103 CD 0.0154 -0.0013 0.0134 4855 GLU 103 OE1 0.0145 -0.0004 0.0112 4856 GLU 103 OE2 0.0141 -0.0027 0.0150 4857 GLU 103 H 0.0135 -0.0005 0.0104 4858 GLU 103 HA 0.0166 -0.0015 0.0148 4859 GLU 103 HB2 0.0178 0.0013 0.0108 4860 GLU 103 HB3 0.0201 0.0010 0.0131 4861 GLU 103 HG2 0.0194 0.0002 0.0141 4862 GLU 103 HG3 0.0181 -0.0015 0.0161 4863 SER 104 N 0.0164 0.0014 0.0094 4864 SER 104 CA 0.0170 0.0025 0.0080 4865 SER 104 C 0.0149 0.0028 0.0058 4866 SER 104 O 0.0129 0.0020 0.0056 4867 SER 104 CB 0.0195 0.0041 0.0072 4868 SER 104 OG 0.0215 0.0039 0.0092 4869 SER 104 H 0.0152 0.0014 0.0085 4870 SER 104 HA 0.0172 0.0019 0.0091 4871 SER 104 HB2 0.0193 0.0047 0.0059 4872 SER 104 HB3 0.0200 0.0048 0.0062 4873 SER 104 HG 0.0208 0.0027 0.0107 4874 HIS 105 N 0.0154 0.0039 0.0041 4875 HIS 105 CA 0.0135 0.0043 0.0019 4876 HIS 105 C 0.0132 0.0051 0.0002 4877 HIS 105 O 0.0140 0.0066 -0.0017 4878 HIS 105 CB 0.0143 0.0054 0.0007 4879 HIS 105 CG 0.0150 0.0048 0.0023 4880 HIS 105 ND1 0.0172 0.0048 0.0041 4881 HIS 105 CD2 0.0139 0.0042 0.0024 4882 HIS 105 CE1 0.0173 0.0042 0.0052 4883 HIS 105 NE2 0.0153 0.0038 0.0042 4884 HIS 105 H 0.0170 0.0045 0.0044 4885 HIS 105 HA 0.0117 0.0032 0.0024 4886 HIS 105 HB2 0.0159 0.0065 -0.0001 4887 HIS 105 HB3 0.0128 0.0055 -0.0008 4888 HIS 105 HD2 0.0121 0.0041 0.0012 4889 HIS 105 HE1 0.0188 0.0040 0.0067 4890 HIS 105 HE2 0.0152 0.0036 0.0045 4891 LYS 106 N 0.0120 0.0042 0.0008 4892 LYS 106 CA 0.0116 0.0049 -0.0006 4893 LYS 106 C 0.0092 0.0049 -0.0026 4894 LYS 106 O 0.0074 0.0041 -0.0027 4895 LYS 106 CB 0.0113 0.0038 0.0009 4896 LYS 106 CG 0.0136 0.0038 0.0029 4897 LYS 106 CD 0.0131 0.0027 0.0045 4898 LYS 106 CE 0.0155 0.0033 0.0053 4899 LYS 106 NZ 0.0150 0.0022 0.0069 4900 LYS 106 H 0.0115 0.0031 0.0024 4901 LYS 106 HA 0.0132 0.0061 -0.0015 4902 LYS 106 HB2 0.0097 0.0026 0.0019 4903 LYS 106 HB3 0.0108 0.0043 -0.0002 4904 LYS 106 HG2 0.0151 0.0050 0.0020 4905 LYS 106 HG3 0.0142 0.0035 0.0039 4906 LYS 106 HD2 0.0125 0.0015 0.0061 4907 LYS 106 HD3 0.0116 0.0026 0.0035 4908 LYS 106 HE2 0.0161 0.0044 0.0038 4909 LYS 106 HE3 0.0169 0.0034 0.0063 4910 LYS 106 HZ1 0.0147 0.0011 0.0086 4911 LYS 106 HZ2 0.0166 0.0027 0.0073 4912 LYS 106 HZ3 0.0134 0.0019 0.0061 4913 SER 107 N 0.0064 0.0023 -0.0016 4914 SER 107 CA 0.0058 0.0028 -0.0014 4915 SER 107 C 0.0050 0.0034 -0.0011 4916 SER 107 O 0.0051 0.0043 -0.0009 4917 SER 107 CB 0.0052 0.0022 -0.0015 4918 SER 107 OG 0.0049 0.0013 -0.0017 4919 SER 107 H 0.0062 0.0021 -0.0016 4920 SER 107 HA 0.0063 0.0033 -0.0013 4921 SER 107 HB2 0.0046 0.0025 -0.0013 4922 SER 107 HB3 0.0057 0.0020 -0.0016 4923 SER 107 HG 0.0047 0.0008 -0.0018 4924 GLY 108 N 0.0043 0.0028 -0.0011 4925 GLY 108 CA 0.0036 0.0033 -0.0009 4926 GLY 108 C 0.0026 0.0032 -0.0008 4927 GLY 108 O 0.0024 0.0037 -0.0006 4928 GLY 108 H 0.0043 0.0021 -0.0013 4929 GLY 108 HA2 0.0035 0.0029 -0.0010 4930 GLY 108 HA3 0.0038 0.0040 -0.0007 4931 GLY 109 N 0.0019 0.0027 -0.0008 4932 GLY 109 CA 0.0009 0.0026 -0.0007 4933 GLY 109 C 0.0006 0.0015 -0.0009 4934 GLY 109 O 0.0011 0.0010 -0.0011 4935 GLY 109 H 0.0020 0.0023 -0.0009 4936 GLY 109 HA2 0.0004 0.0029 -0.0005 4937 GLY 109 HA3 0.0009 0.0030 -0.0005 4938 GLU 110 N -0.0003 0.0013 -0.0008 4939 GLU 110 CA -0.0008 0.0003 -0.0010 4940 GLU 110 C -0.0017 0.0003 -0.0009 4941 GLU 110 O -0.0023 -0.0004 -0.0010 4942 GLU 110 CB -0.0009 -0.0003 -0.0012 4943 GLU 110 CG 0.0000 -0.0006 -0.0014 4944 GLU 110 CD -0.0002 -0.0013 -0.0016 4945 GLU 110 OE1 -0.0003 -0.0009 -0.0014 4946 GLU 110 OE2 -0.0003 -0.0022 -0.0018 4947 GLU 110 H -0.0007 0.0017 -0.0006 4948 GLU 110 HA -0.0002 -0.0001 -0.0012 4949 GLU 110 HB2 -0.0013 0.0002 -0.0010 4950 GLU 110 HB3 -0.0014 -0.0009 -0.0013 4951 GLU 110 HG2 0.0004 -0.0010 -0.0016 4952 GLU 110 HG3 0.0004 0.0000 -0.0013 4953 THR 111 N -0.0019 0.0012 -0.0006 4954 THR 111 CA -0.0028 0.0013 -0.0004 4955 THR 111 C -0.0029 0.0006 -0.0006 4956 THR 111 O -0.0022 0.0003 -0.0008 4957 THR 111 CB -0.0028 0.0024 -0.0001 4958 THR 111 OG1 -0.0023 0.0030 -0.0000 4959 THR 111 CG2 -0.0038 0.0027 0.0001 4960 THR 111 H -0.0014 0.0017 -0.0006 4961 THR 111 HA -0.0034 0.0012 -0.0004 4962 THR 111 HB -0.0024 0.0024 -0.0002 4963 THR 111 HG1 -0.0016 0.0032 -0.0001 4964 THR 111 HG21 -0.0042 0.0021 0.0000 4965 THR 111 HG22 -0.0038 0.0034 0.0003 4966 THR 111 HG23 -0.0042 0.0028 0.0002 4967 ARG 112 N -0.0038 0.0004 -0.0005 4968 ARG 112 CA -0.0040 -0.0003 -0.0007 4969 ARG 112 C -0.0048 0.0000 -0.0005 4970 ARG 112 O -0.0053 0.0007 -0.0002 4971 ARG 112 CB -0.0043 -0.0013 -0.0009 4972 ARG 112 CG -0.0051 -0.0013 -0.0008 4973 ARG 112 CD -0.0061 -0.0017 -0.0008 4974 ARG 112 NE -0.0061 -0.0028 -0.0010 4975 ARG 112 CZ -0.0065 -0.0034 -0.0011 4976 ARG 112 NH1 -0.0069 -0.0030 -0.0010 4977 ARG 112 NH2 -0.0065 -0.0043 -0.0014 4978 ARG 112 H -0.0044 0.0007 -0.0004 4979 ARG 112 HA -0.0033 -0.0004 -0.0008 4980 ARG 112 HB2 -0.0046 -0.0018 -0.0010 4981 ARG 112 HB3 -0.0036 -0.0016 -0.0011 4982 ARG 112 HG2 -0.0048 -0.0016 -0.0009 4983 ARG 112 HG3 -0.0052 -0.0005 -0.0006 4984 ARG 112 HD2 -0.0066 -0.0015 -0.0006 4985 ARG 112 HD3 -0.0062 -0.0015 -0.0007 4986 ARG 112 HE -0.0057 -0.0031 -0.0012 4987 ARG 112 HH11 -0.0068 -0.0023 -0.0008 4988 ARG 112 HH12 -0.0072 -0.0035 -0.0011 4989 ARG 112 HH21 -0.0062 -0.0046 -0.0015 4990 ARG 112 HH22 -0.0068 -0.0048 -0.0015 4991 LEU 113 N -0.0044 -0.0021 -0.0003 4992 LEU 113 CA -0.0039 -0.0019 0.0001 4993 LEU 113 C -0.0044 -0.0021 -0.0003 4994 LEU 113 O -0.0053 -0.0023 -0.0004 4995 LEU 113 CB -0.0029 -0.0016 -0.0001 4996 LEU 113 CG -0.0023 -0.0014 0.0005 4997 LEU 113 CD1 -0.0025 -0.0013 0.0016 4998 LEU 113 CD2 -0.0024 -0.0015 0.0002 4999 LEU 113 OXT -0.0039 -0.0020 -0.0005 5000 LEU 113 H -0.0042 -0.0021 -0.0009 5001 LEU 113 HA -0.0041 -0.0019 0.0009 5002 LEU 113 HB2 -0.0027 -0.0017 -0.0009 5003 LEU 113 HB3 -0.0026 -0.0016 0.0000 5004 LEU 113 HG -0.0015 -0.0012 0.0004 5005 LEU 113 HD11 -0.0024 -0.0013 0.0019 5006 LEU 113 HD12 -0.0020 -0.0012 0.0020 5007 LEU 113 HD13 -0.0032 -0.0015 0.0017 5008 LEU 113 HD21 -0.0031 -0.0017 0.0003 5009 LEU 113 HD22 -0.0019 -0.0013 0.0005 5010 LEU 113 HD23 -0.0022 -0.0015 -0.0006 5011 GLY 1 N -0.0038 0.0043 0.0077 5012 GLY 1 CA -0.0028 0.0043 0.0071 5013 GLY 1 C -0.0055 0.0045 0.0074 5014 GLY 1 O -0.0079 0.0045 0.0090 5015 GLY 1 H1 -0.0048 0.0041 0.0100 5016 GLY 1 H2 -0.0018 0.0042 0.0076 5017 GLY 1 H3 -0.0054 0.0047 0.0061 5018 GLY 1 HA2 -0.0009 0.0040 0.0087 5019 GLY 1 HA3 -0.0019 0.0045 0.0047 5020 GLY 2 N -0.0052 0.0046 0.0060 5021 GLY 2 CA -0.0076 0.0048 0.0063 5022 GLY 2 C -0.0089 0.0053 0.0030 5023 GLY 2 O -0.0086 0.0055 0.0008 5024 GLY 2 H -0.0032 0.0046 0.0048 5025 GLY 2 HA2 -0.0095 0.0048 0.0077 5026 GLY 2 HA3 -0.0066 0.0046 0.0073 5027 SER 3 N -0.0103 0.0054 0.0028 5028 SER 3 CA -0.0116 0.0059 -0.0001 5029 SER 3 C -0.0118 0.0059 0.0000 5030 SER 3 O -0.0116 0.0056 0.0026 5031 SER 3 CB -0.0149 0.0062 -0.0006 5032 SER 3 OG -0.0159 0.0066 -0.0037 5033 SER 3 H -0.0104 0.0052 0.0047 5034 SER 3 HA -0.0100 0.0060 -0.0020 5035 SER 3 HB2 -0.0148 0.0061 -0.0001 5036 SER 3 HB3 -0.0166 0.0061 0.0010 5037 SER 3 HG -0.0148 0.0067 -0.0051 5038 MET 4 N -0.0122 0.0062 -0.0027 5039 MET 4 CA -0.0124 0.0063 -0.0030 5040 MET 4 C -0.0095 0.0059 -0.0015 5041 MET 4 O -0.0097 0.0056 0.0011 5042 MET 4 CB -0.0155 0.0063 -0.0014 5043 MET 4 CG -0.0183 0.0068 -0.0036 5044 MET 4 SD -0.0219 0.0069 -0.0017 5045 MET 4 CE -0.0207 0.0066 0.0001 5046 MET 4 H -0.0123 0.0065 -0.0047 5047 MET 4 HA -0.0124 0.0066 -0.0055 5048 MET 4 HB2 -0.0161 0.0062 0.0005 5049 MET 4 HB3 -0.0150 0.0062 -0.0005 5050 MET 4 HG2 -0.0177 0.0070 -0.0055 5051 MET 4 HG3 -0.0186 0.0070 -0.0047 5052 MET 4 HE1 -0.0188 0.0062 0.0018 5053 MET 4 HE2 -0.0227 0.0066 0.0014 5054 MET 4 HE3 -0.0199 0.0067 -0.0017 5055 ARG 5 N -0.0069 0.0059 -0.0033 5056 ARG 5 CA -0.0040 0.0055 -0.0022 5057 ARG 5 C -0.0044 0.0055 -0.0021 5058 ARG 5 O -0.0058 0.0059 -0.0043 5059 ARG 5 CB -0.0012 0.0055 -0.0043 5060 ARG 5 CG -0.0002 0.0054 -0.0039 5061 ARG 5 CD -0.0022 0.0058 -0.0059 5062 ARG 5 NE -0.0019 0.0057 -0.0049 5063 ARG 5 CZ -0.0040 0.0059 -0.0057 5064 ARG 5 NH1 -0.0064 0.0063 -0.0075 5065 ARG 5 NH2 -0.0036 0.0058 -0.0046 5066 ARG 5 H -0.0070 0.0061 -0.0054 5067 ARG 5 HA -0.0036 0.0052 0.0002 5068 ARG 5 HB2 -0.0018 0.0059 -0.0067 5069 ARG 5 HB3 0.0008 0.0053 -0.0037 5070 ARG 5 HG2 0.0023 0.0053 -0.0046 5071 ARG 5 HG3 -0.0004 0.0051 -0.0014 5072 ARG 5 HD2 -0.0046 0.0060 -0.0056 5073 ARG 5 HD3 -0.0014 0.0060 -0.0083 5074 ARG 5 HE -0.0001 0.0054 -0.0036 5075 ARG 5 HH11 -0.0067 0.0064 -0.0083 5076 ARG 5 HH12 -0.0080 0.0065 -0.0081 5077 ARG 5 HH21 -0.0018 0.0055 -0.0033 5078 ARG 5 HH22 -0.0052 0.0060 -0.0053 5079 PRO 6 N -0.0033 0.0052 0.0003 5080 PRO 6 CA -0.0037 0.0052 0.0007 5081 PRO 6 C -0.0010 0.0051 -0.0010 5082 PRO 6 O 0.0017 0.0048 0.0001 5083 PRO 6 CB -0.0036 0.0047 0.0043 5084 PRO 6 CG -0.0030 0.0045 0.0057 5085 PRO 6 CD -0.0017 0.0047 0.0031 5086 PRO 6 HA -0.0060 0.0054 -0.0002 5087 PRO 6 HB2 -0.0017 0.0045 0.0048 5088 PRO 6 HB3 -0.0058 0.0048 0.0051 5089 PRO 6 HG2 -0.0013 0.0042 0.0075 5090 PRO 6 HG3 -0.0052 0.0046 0.0065 5091 PRO 6 HD2 0.0009 0.0045 0.0028 5092 PRO 6 HD3 -0.0022 0.0047 0.0035 5093 PRO 7 N 0.0071 0.0038 -0.0037 5094 PRO 7 CA 0.0064 0.0031 -0.0028 5095 PRO 7 C 0.0065 0.0032 -0.0031 5096 PRO 7 O 0.0076 0.0036 -0.0030 5097 PRO 7 CB 0.0072 0.0026 -0.0015 5098 PRO 7 CG 0.0081 0.0030 -0.0017 5099 PRO 7 CD 0.0083 0.0038 -0.0030 5100 PRO 7 HA 0.0054 0.0027 -0.0029 5101 PRO 7 HB2 0.0078 0.0027 -0.0012 5102 PRO 7 HB3 0.0065 0.0021 -0.0009 5103 PRO 7 HG2 0.0090 0.0030 -0.0010 5104 PRO 7 HG3 0.0076 0.0027 -0.0015 5105 PRO 7 HD2 0.0092 0.0042 -0.0031 5106 PRO 7 HD3 0.0085 0.0041 -0.0034 5107 ILE 8 N 0.0053 0.0030 -0.0034 5108 ILE 8 CA 0.0052 0.0031 -0.0037 5109 ILE 8 C 0.0051 0.0024 -0.0024 5110 ILE 8 O 0.0042 0.0018 -0.0018 5111 ILE 8 CB 0.0039 0.0031 -0.0046 5112 ILE 8 CG1 0.0037 0.0036 -0.0056 5113 ILE 8 CG2 0.0039 0.0035 -0.0052 5114 ILE 8 CD1 0.0023 0.0036 -0.0065 5115 ILE 8 H 0.0045 0.0027 -0.0034 5116 ILE 8 HA 0.0060 0.0036 -0.0041 5117 ILE 8 HB 0.0030 0.0026 -0.0041 5118 ILE 8 HG12 0.0045 0.0042 -0.0062 5119 ILE 8 HG13 0.0038 0.0034 -0.0051 5120 ILE 8 HG21 0.0030 0.0035 -0.0059 5121 ILE 8 HG22 0.0048 0.0041 -0.0058 5122 ILE 8 HG23 0.0041 0.0032 -0.0045 5123 ILE 8 HD11 0.0015 0.0030 -0.0059 5124 ILE 8 HD12 0.0022 0.0039 -0.0070 5125 ILE 8 HD13 0.0023 0.0039 -0.0071 5126 ILE 9 N 0.0062 0.0026 -0.0020 5127 ILE 9 CA 0.0063 0.0020 -0.0009 5128 ILE 9 C 0.0055 0.0018 -0.0010 5129 ILE 9 O 0.0058 0.0022 -0.0015 5130 ILE 9 CB 0.0078 0.0023 -0.0004 5131 ILE 9 CG1 0.0088 0.0028 -0.0007 5132 ILE 9 CG2 0.0080 0.0016 0.0010 5133 ILE 9 CD1 0.0089 0.0024 0.0001 5134 ILE 9 H 0.0069 0.0031 -0.0026 5135 ILE 9 HA 0.0060 0.0015 -0.0002 5136 ILE 9 HB 0.0080 0.0026 -0.0009 5137 ILE 9 HG12 0.0086 0.0032 -0.0017 5138 ILE 9 HG13 0.0099 0.0031 -0.0006 5139 ILE 9 HG21 0.0075 0.0013 0.0012 5140 ILE 9 HG22 0.0091 0.0018 0.0014 5141 ILE 9 HG23 0.0077 0.0012 0.0015 5142 ILE 9 HD11 0.0096 0.0028 -0.0002 5143 ILE 9 HD12 0.0079 0.0021 -0.0001 5144 ILE 9 HD13 0.0091 0.0019 0.0011 5145 ILE 10 N 0.0043 0.0011 -0.0005 5146 ILE 10 CA 0.0034 0.0008 -0.0005 5147 ILE 10 C 0.0040 0.0004 0.0006 5148 ILE 10 O 0.0048 0.0002 0.0015 5149 ILE 10 CB 0.0019 0.0002 -0.0003 5150 ILE 10 CG1 0.0013 0.0005 -0.0013 5151 ILE 10 CG2 0.0011 -0.0000 -0.0004 5152 ILE 10 CD1 0.0004 -0.0001 -0.0007 5153 ILE 10 H 0.0040 0.0008 -0.0002 5154 ILE 10 HA 0.0034 0.0013 -0.0014 5155 ILE 10 HB 0.0020 -0.0003 0.0006 5156 ILE 10 HG12 0.0006 0.0006 -0.0020 5157 ILE 10 HG13 0.0020 0.0010 -0.0017 5158 ILE 10 HG21 0.0000 -0.0003 -0.0007 5159 ILE 10 HG22 0.0013 0.0005 -0.0012 5160 ILE 10 HG23 0.0012 -0.0004 0.0004 5161 ILE 10 HD11 0.0010 -0.0004 0.0002 5162 ILE 10 HD12 0.0002 0.0001 -0.0014 5163 ILE 10 HD13 -0.0005 -0.0005 -0.0005 5164 HIS 11 N 0.0037 0.0003 0.0005 5165 HIS 11 CA 0.0042 -0.0000 0.0016 5166 HIS 11 C 0.0030 -0.0006 0.0018 5167 HIS 11 O 0.0025 -0.0004 0.0011 5168 HIS 11 CB 0.0053 0.0006 0.0012 5169 HIS 11 CG 0.0060 0.0002 0.0023 5170 HIS 11 ND1 0.0061 0.0003 0.0021 5171 HIS 11 CD2 0.0065 -0.0003 0.0035 5172 HIS 11 CE1 0.0067 -0.0000 0.0032 5173 HIS 11 NE2 0.0069 -0.0004 0.0041 5174 HIS 11 H 0.0031 0.0005 -0.0002 5175 HIS 11 HA 0.0046 -0.0003 0.0024 5176 HIS 11 HB2 0.0061 0.0010 0.0009 5177 HIS 11 HB3 0.0049 0.0008 0.0004 5178 HIS 11 HD2 0.0065 -0.0005 0.0039 5179 HIS 11 HE1 0.0069 -0.0001 0.0034 5180 HIS 11 HE2 0.0075 -0.0007 0.0049 5181 ARG 12 N 0.0026 -0.0013 0.0029 5182 ARG 12 CA 0.0015 -0.0019 0.0033 5183 ARG 12 C 0.0018 -0.0019 0.0035 5184 ARG 12 O 0.0025 -0.0022 0.0045 5185 ARG 12 CB 0.0011 -0.0027 0.0046 5186 ARG 12 CG -0.0001 -0.0033 0.0050 5187 ARG 12 CD -0.0005 -0.0041 0.0061 5188 ARG 12 NE -0.0016 -0.0047 0.0066 5189 ARG 12 CZ -0.0016 -0.0054 0.0079 5190 ARG 12 NH1 -0.0005 -0.0054 0.0087 5191 ARG 12 NH2 -0.0027 -0.0060 0.0082 5192 ARG 12 H 0.0031 -0.0015 0.0035 5193 ARG 12 HA 0.0006 -0.0018 0.0026 5194 ARG 12 HB2 0.0009 -0.0027 0.0044 5195 ARG 12 HB3 0.0020 -0.0028 0.0053 5196 ARG 12 HG2 0.0001 -0.0034 0.0053 5197 ARG 12 HG3 -0.0010 -0.0032 0.0042 5198 ARG 12 HD2 -0.0007 -0.0040 0.0058 5199 ARG 12 HD3 0.0004 -0.0042 0.0069 5200 ARG 12 HE -0.0025 -0.0047 0.0060 5201 ARG 12 HH11 0.0004 -0.0050 0.0084 5202 ARG 12 HH12 -0.0005 -0.0059 0.0096 5203 ARG 12 HH21 -0.0036 -0.0059 0.0076 5204 ARG 12 HH22 -0.0027 -0.0065 0.0092 5205 ALA 13 N -0.0003 -0.0015 0.0015 5206 ALA 13 CA -0.0006 -0.0015 0.0014 5207 ALA 13 C -0.0021 -0.0021 0.0026 5208 ALA 13 O -0.0033 -0.0023 0.0019 5209 ALA 13 CB -0.0009 -0.0013 -0.0004 5210 ALA 13 H -0.0008 -0.0014 0.0006 5211 ALA 13 HA 0.0006 -0.0013 0.0019 5212 ALA 13 HB1 -0.0012 -0.0013 -0.0005 5213 ALA 13 HB2 -0.0020 -0.0014 -0.0010 5214 ALA 13 HB3 0.0002 -0.0009 -0.0012 5215 GLY 14 N -0.0020 -0.0024 0.0042 5216 GLY 14 CA -0.0033 -0.0029 0.0054 5217 GLY 14 C -0.0048 -0.0032 0.0053 5218 GLY 14 O -0.0054 -0.0036 0.0066 5219 GLY 14 H -0.0009 -0.0022 0.0046 5220 GLY 14 HA2 -0.0027 -0.0030 0.0067 5221 GLY 14 HA3 -0.0038 -0.0030 0.0051 5222 LYS 15 N -0.0053 -0.0031 0.0037 5223 LYS 15 CA -0.0068 -0.0034 0.0034 5224 LYS 15 C -0.0062 -0.0033 0.0037 5225 LYS 15 O -0.0063 -0.0036 0.0051 5226 LYS 15 CB -0.0076 -0.0032 0.0016 5227 LYS 15 CG -0.0065 -0.0027 0.0003 5228 LYS 15 CD -0.0074 -0.0026 -0.0015 5229 LYS 15 CE -0.0089 -0.0030 -0.0016 5230 LYS 15 NZ -0.0098 -0.0029 -0.0033 5231 LYS 15 H -0.0048 -0.0028 0.0027 5232 LYS 15 HA -0.0077 -0.0038 0.0044 5233 LYS 15 HB2 -0.0081 -0.0033 0.0012 5234 LYS 15 HB3 -0.0087 -0.0035 0.0018 5235 LYS 15 HG2 -0.0061 -0.0027 0.0007 5236 LYS 15 HG3 -0.0053 -0.0024 0.0002 5237 LYS 15 HD2 -0.0065 -0.0022 -0.0024 5238 LYS 15 HD3 -0.0078 -0.0026 -0.0018 5239 LYS 15 HE2 -0.0098 -0.0033 -0.0006 5240 LYS 15 HE3 -0.0085 -0.0029 -0.0013 5241 LYS 15 HZ1 -0.0101 -0.0028 -0.0037 5242 LYS 15 HZ2 -0.0091 -0.0025 -0.0042 5243 LYS 15 HZ3 -0.0110 -0.0031 -0.0032 5244 LYS 16 N -0.0056 -0.0029 0.0023 5245 LYS 16 CA -0.0050 -0.0028 0.0024 5246 LYS 16 C -0.0037 -0.0022 0.0010 5247 LYS 16 O -0.0032 -0.0019 0.0001 5248 LYS 16 CB -0.0066 -0.0031 0.0022 5249 LYS 16 CG -0.0079 -0.0031 0.0007 5250 LYS 16 CD -0.0096 -0.0036 0.0010 5251 LYS 16 CE -0.0110 -0.0037 -0.0003 5252 LYS 16 NZ -0.0127 -0.0042 0.0000 5253 LYS 16 H -0.0055 -0.0026 0.0012 5254 LYS 16 HA -0.0044 -0.0029 0.0037 5255 LYS 16 HB2 -0.0062 -0.0029 0.0019 5256 LYS 16 HB3 -0.0072 -0.0035 0.0034 5257 LYS 16 HG2 -0.0079 -0.0032 0.0007 5258 LYS 16 HG3 -0.0074 -0.0028 -0.0005 5259 LYS 16 HD2 -0.0096 -0.0035 0.0008 5260 LYS 16 HD3 -0.0100 -0.0039 0.0023 5261 LYS 16 HE2 -0.0109 -0.0037 -0.0001 5262 LYS 16 HE3 -0.0106 -0.0034 -0.0016 5263 LYS 16 HZ1 -0.0135 -0.0041 -0.0011 5264 LYS 16 HZ2 -0.0132 -0.0045 0.0011 5265 LYS 16 HZ3 -0.0127 -0.0042 0.0003 5266 TYR 17 N -0.0033 -0.0021 0.0009 5267 TYR 17 CA -0.0021 -0.0015 -0.0004 5268 TYR 17 C -0.0030 -0.0015 -0.0021 5269 TYR 17 O -0.0023 -0.0010 -0.0034 5270 TYR 17 CB -0.0011 -0.0014 0.0003 5271 TYR 17 CG -0.0004 -0.0016 0.0021 5272 TYR 17 CD1 0.0011 -0.0013 0.0025 5273 TYR 17 CD2 -0.0014 -0.0021 0.0035 5274 TYR 17 CE1 0.0018 -0.0015 0.0041 5275 TYR 17 CE2 -0.0008 -0.0023 0.0052 5276 TYR 17 CZ 0.0008 -0.0019 0.0055 5277 TYR 17 OH 0.0014 -0.0021 0.0072 5278 TYR 17 H -0.0038 -0.0023 0.0016 5279 TYR 17 HA -0.0012 -0.0013 -0.0006 5280 TYR 17 HB2 -0.0020 -0.0016 0.0002 5281 TYR 17 HB3 -0.0000 -0.0010 -0.0005 5282 TYR 17 HD1 0.0019 -0.0009 0.0014 5283 TYR 17 HD2 -0.0026 -0.0023 0.0032 5284 TYR 17 HE1 0.0030 -0.0012 0.0044 5285 TYR 17 HE2 -0.0016 -0.0026 0.0062 5286 TYR 17 HH 0.0015 -0.0022 0.0078 5287 GLY 18 N -0.0047 -0.0018 -0.0021 5288 GLY 18 CA -0.0058 -0.0018 -0.0037 5289 GLY 18 C -0.0057 -0.0016 -0.0046 5290 GLY 18 O -0.0054 -0.0013 -0.0061 5291 GLY 18 H -0.0052 -0.0022 -0.0011 5292 GLY 18 HA2 -0.0071 -0.0022 -0.0033 5293 GLY 18 HA3 -0.0055 -0.0016 -0.0046 5294 PHE 19 N -0.0033 -0.0011 -0.0028 5295 PHE 19 CA -0.0029 -0.0013 -0.0025 5296 PHE 19 C -0.0027 -0.0009 -0.0022 5297 PHE 19 O -0.0028 -0.0006 -0.0022 5298 PHE 19 CB -0.0027 -0.0017 -0.0025 5299 PHE 19 CG -0.0026 -0.0016 -0.0024 5300 PHE 19 CD1 -0.0028 -0.0015 -0.0026 5301 PHE 19 CD2 -0.0023 -0.0016 -0.0021 5302 PHE 19 CE1 -0.0027 -0.0015 -0.0024 5303 PHE 19 CE2 -0.0022 -0.0015 -0.0019 5304 PHE 19 CZ -0.0024 -0.0015 -0.0021 5305 PHE 19 H -0.0033 -0.0009 -0.0028 5306 PHE 19 HA -0.0029 -0.0013 -0.0026 5307 PHE 19 HB2 -0.0025 -0.0018 -0.0024 5308 PHE 19 HB3 -0.0029 -0.0019 -0.0027 5309 PHE 19 HD1 -0.0031 -0.0015 -0.0028 5310 PHE 19 HD2 -0.0021 -0.0016 -0.0019 5311 PHE 19 HE1 -0.0029 -0.0014 -0.0026 5312 PHE 19 HE2 -0.0019 -0.0015 -0.0017 5313 PHE 19 HZ -0.0023 -0.0014 -0.0020 5314 THR 20 N -0.0025 -0.0009 -0.0020 5315 THR 20 CA -0.0023 -0.0006 -0.0017 5316 THR 20 C -0.0020 -0.0008 -0.0015 5317 THR 20 O -0.0017 -0.0011 -0.0014 5318 THR 20 CB -0.0022 -0.0005 -0.0016 5319 THR 20 OG1 -0.0025 -0.0004 -0.0019 5320 THR 20 CG2 -0.0020 -0.0002 -0.0013 5321 THR 20 H -0.0025 -0.0012 -0.0021 5322 THR 20 HA -0.0024 -0.0003 -0.0017 5323 THR 20 HB -0.0021 -0.0008 -0.0016 5324 THR 20 HG1 -0.0027 -0.0006 -0.0021 5325 THR 20 HG21 -0.0022 0.0001 -0.0013 5326 THR 20 HG22 -0.0018 -0.0003 -0.0011 5327 THR 20 HG23 -0.0020 -0.0002 -0.0012 5328 LEU 21 N -0.0019 -0.0005 -0.0013 5329 LEU 21 CA -0.0016 -0.0006 -0.0011 5330 LEU 21 C -0.0013 -0.0004 -0.0007 5331 LEU 21 O -0.0013 -0.0000 -0.0006 5332 LEU 21 CB -0.0016 -0.0005 -0.0011 5333 LEU 21 CG -0.0014 -0.0008 -0.0010 5334 LEU 21 CD1 -0.0012 -0.0012 -0.0010 5335 LEU 21 CD2 -0.0016 -0.0009 -0.0012 5336 LEU 21 H -0.0021 -0.0003 -0.0014 5337 LEU 21 HA -0.0015 -0.0009 -0.0011 5338 LEU 21 HB2 -0.0019 -0.0005 -0.0013 5339 LEU 21 HB3 -0.0016 -0.0002 -0.0009 5340 LEU 21 HG -0.0012 -0.0007 -0.0007 5341 LEU 21 HD11 -0.0011 -0.0012 -0.0008 5342 LEU 21 HD12 -0.0011 -0.0015 -0.0009 5343 LEU 21 HD13 -0.0014 -0.0014 -0.0012 5344 LEU 21 HD21 -0.0014 -0.0011 -0.0011 5345 LEU 21 HD22 -0.0017 -0.0006 -0.0012 5346 LEU 21 HD23 -0.0017 -0.0011 -0.0014 5347 ARG 22 N -0.0012 -0.0005 -0.0007 5348 ARG 22 CA -0.0009 -0.0003 -0.0004 5349 ARG 22 C -0.0006 -0.0003 -0.0001 5350 ARG 22 O -0.0005 -0.0006 -0.0001 5351 ARG 22 CB -0.0008 -0.0005 -0.0003 5352 ARG 22 CG -0.0007 -0.0003 -0.0002 5353 ARG 22 CD -0.0010 -0.0001 -0.0004 5354 ARG 22 NE -0.0009 0.0000 -0.0002 5355 ARG 22 CZ -0.0011 0.0003 -0.0003 5356 ARG 22 NH1 -0.0015 0.0004 -0.0005 5357 ARG 22 NH2 -0.0010 0.0003 -0.0002 5358 ARG 22 H -0.0012 -0.0008 -0.0008 5359 ARG 22 HA -0.0011 0.0000 -0.0004 5360 ARG 22 HB2 -0.0010 -0.0007 -0.0006 5361 ARG 22 HB3 -0.0006 -0.0008 -0.0002 5362 ARG 22 HG2 -0.0005 -0.0005 -0.0001 5363 ARG 22 HG3 -0.0006 -0.0000 0.0000 5364 ARG 22 HD2 -0.0012 0.0002 -0.0004 5365 ARG 22 HD3 -0.0012 -0.0003 -0.0006 5366 ARG 22 HE -0.0007 -0.0001 -0.0001 5367 ARG 22 HH11 -0.0015 0.0004 -0.0006 5368 ARG 22 HH12 -0.0016 0.0006 -0.0006 5369 ARG 22 HH21 -0.0008 0.0002 -0.0000 5370 ARG 22 HH22 -0.0012 0.0005 -0.0003 5371 ALA 23 N -0.0005 0.0000 0.0002 5372 ALA 23 CA -0.0002 0.0001 0.0004 5373 ALA 23 C 0.0001 0.0000 0.0007 5374 ALA 23 O 0.0001 0.0002 0.0008 5375 ALA 23 CB -0.0003 0.0005 0.0005 5376 ALA 23 H -0.0006 0.0003 0.0001 5377 ALA 23 HA -0.0002 -0.0002 0.0004 5378 ALA 23 HB1 -0.0003 0.0007 0.0006 5379 ALA 23 HB2 -0.0005 0.0005 0.0003 5380 ALA 23 HB3 -0.0001 0.0005 0.0007 5381 ILE 24 N 0.0004 -0.0003 0.0008 5382 ILE 24 CA 0.0007 -0.0003 0.0011 5383 ILE 24 C 0.0010 -0.0004 0.0013 5384 ILE 24 O 0.0009 -0.0004 0.0013 5385 ILE 24 CB 0.0007 -0.0007 0.0010 5386 ILE 24 CG1 0.0006 -0.0011 0.0008 5387 ILE 24 CG2 0.0006 -0.0006 0.0009 5388 ILE 24 CD1 0.0008 -0.0015 0.0007 5389 ILE 24 H 0.0003 -0.0004 0.0008 5390 ILE 24 HA 0.0007 -0.0001 0.0012 5391 ILE 24 HB 0.0010 -0.0008 0.0012 5392 ILE 24 HG12 0.0004 -0.0011 0.0005 5393 ILE 24 HG13 0.0007 -0.0011 0.0008 5394 ILE 24 HG21 0.0006 -0.0009 0.0008 5395 ILE 24 HG22 0.0003 -0.0005 0.0007 5396 ILE 24 HG23 0.0007 -0.0004 0.0011 5397 ILE 24 HD11 0.0011 -0.0016 0.0010 5398 ILE 24 HD12 0.0007 -0.0018 0.0006 5399 ILE 24 HD13 0.0008 -0.0015 0.0007 5400 ARG 25 N 0.0027 -0.0004 0.0026 5401 ARG 25 CA 0.0012 -0.0004 0.0015 5402 ARG 25 C 0.0010 -0.0008 0.0036 5403 ARG 25 O 0.0030 -0.0008 0.0044 5404 ARG 25 CB 0.0026 0.0003 -0.0010 5405 ARG 25 CG 0.0057 0.0006 -0.0008 5406 ARG 25 CD 0.0069 0.0012 -0.0034 5407 ARG 25 NE 0.0060 0.0013 -0.0043 5408 ARG 25 CZ 0.0067 0.0011 -0.0030 5409 ARG 25 NH1 0.0083 0.0008 -0.0009 5410 ARG 25 NH2 0.0057 0.0012 -0.0040 5411 ARG 25 H 0.0043 -0.0005 0.0037 5412 ARG 25 HA -0.0008 -0.0005 0.0010 5413 ARG 25 HB2 0.0020 0.0003 -0.0013 5414 ARG 25 HB3 0.0019 0.0005 -0.0027 5415 ARG 25 HG2 0.0063 0.0003 0.0007 5416 ARG 25 HG3 0.0065 0.0005 -0.0003 5417 ARG 25 HD2 0.0091 0.0014 -0.0032 5418 ARG 25 HD3 0.0064 0.0015 -0.0050 5419 ARG 25 HE 0.0048 0.0015 -0.0059 5420 ARG 25 HH11 0.0091 0.0008 -0.0002 5421 ARG 25 HH12 0.0088 0.0007 0.0000 5422 ARG 25 HH21 0.0045 0.0014 -0.0056 5423 ARG 25 HH22 0.0062 0.0011 -0.0031 5424 VAL 26 N -0.0015 -0.0012 0.0044 5425 VAL 26 CA -0.0020 -0.0017 0.0064 5426 VAL 26 C -0.0024 -0.0015 0.0052 5427 VAL 26 O -0.0043 -0.0013 0.0036 5428 VAL 26 CB -0.0045 -0.0023 0.0081 5429 VAL 26 CG1 -0.0039 -0.0026 0.0100 5430 VAL 26 CG2 -0.0069 -0.0022 0.0063 5431 VAL 26 H -0.0030 -0.0012 0.0037 5432 VAL 26 HA -0.0003 -0.0018 0.0078 5433 VAL 26 HB -0.0051 -0.0026 0.0093 5434 VAL 26 HG11 -0.0056 -0.0028 0.0101 5435 VAL 26 HG12 -0.0021 -0.0023 0.0093 5436 VAL 26 HG13 -0.0034 -0.0029 0.0120 5437 VAL 26 HG21 -0.0078 -0.0021 0.0054 5438 VAL 26 HG22 -0.0063 -0.0018 0.0048 5439 VAL 26 HG23 -0.0085 -0.0025 0.0075 5440 TYR 27 N -0.0006 -0.0014 0.0059 5441 TYR 27 CA -0.0008 -0.0012 0.0048 5442 TYR 27 C -0.0029 -0.0018 0.0064 5443 TYR 27 O -0.0023 -0.0022 0.0087 5444 TYR 27 CB 0.0020 -0.0010 0.0050 5445 TYR 27 CG 0.0038 -0.0003 0.0027 5446 TYR 27 CD1 0.0050 -0.0002 0.0025 5447 TYR 27 CD2 0.0043 0.0001 0.0007 5448 TYR 27 CE1 0.0067 0.0004 0.0004 5449 TYR 27 CE2 0.0060 0.0007 -0.0014 5450 TYR 27 CZ 0.0072 0.0009 -0.0015 5451 TYR 27 OH 0.0089 0.0014 -0.0036 5452 TYR 27 H 0.0009 -0.0015 0.0071 5453 TYR 27 HA -0.0015 -0.0009 0.0028 5454 TYR 27 HB2 0.0030 -0.0012 0.0068 5455 TYR 27 HB3 0.0017 -0.0010 0.0049 5456 TYR 27 HD1 0.0046 -0.0005 0.0041 5457 TYR 27 HD2 0.0034 0.0000 0.0008 5458 TYR 27 HE1 0.0076 0.0005 0.0003 5459 TYR 27 HE2 0.0064 0.0011 -0.0030 5460 TYR 27 HH 0.0080 0.0017 -0.0053 5461 MET 28 N -0.0052 -0.0018 0.0052 5462 MET 28 CA -0.0074 -0.0022 0.0065 5463 MET 28 C -0.0070 -0.0022 0.0064 5464 MET 28 O -0.0087 -0.0026 0.0075 5465 MET 28 CB -0.0101 -0.0023 0.0052 5466 MET 28 CG -0.0120 -0.0028 0.0071 5467 MET 28 SD -0.0106 -0.0030 0.0086 5468 MET 28 CE -0.0130 -0.0037 0.0111 5469 MET 28 H -0.0055 -0.0014 0.0033 5470 MET 28 HA -0.0074 -0.0026 0.0086 5471 MET 28 HB2 -0.0098 -0.0019 0.0036 5472 MET 28 HB3 -0.0111 -0.0022 0.0045 5473 MET 28 HG2 -0.0139 -0.0028 0.0060 5474 MET 28 HG3 -0.0125 -0.0032 0.0087 5475 MET 28 HE1 -0.0125 -0.0039 0.0121 5476 MET 28 HE2 -0.0131 -0.0040 0.0125 5477 MET 28 HE3 -0.0150 -0.0037 0.0101 5478 GLY 29 N -0.0049 -0.0017 0.0052 5479 GLY 29 CA -0.0043 -0.0016 0.0050 5480 GLY 29 C -0.0014 -0.0012 0.0045 5481 GLY 29 O 0.0001 -0.0009 0.0037 5482 GLY 29 H -0.0036 -0.0014 0.0044 5483 GLY 29 HA2 -0.0049 -0.0021 0.0069 5484 GLY 29 HA3 -0.0056 -0.0014 0.0034 5485 ASP 30 N -0.0006 -0.0012 0.0050 5486 ASP 30 CA 0.0022 -0.0009 0.0046 5487 ASP 30 C 0.0026 -0.0002 0.0016 5488 ASP 30 O 0.0032 -0.0000 0.0009 5489 ASP 30 CB 0.0029 -0.0012 0.0063 5490 ASP 30 CG 0.0058 -0.0008 0.0062 5491 ASP 30 OD1 0.0076 -0.0008 0.0071 5492 ASP 30 OD2 0.0064 -0.0006 0.0053 5493 ASP 30 H -0.0019 -0.0015 0.0056 5494 ASP 30 HA 0.0035 -0.0009 0.0051 5495 ASP 30 HB2 0.0024 -0.0016 0.0083 5496 ASP 30 HB3 0.0017 -0.0011 0.0056 5497 SER 31 N 0.0005 -0.0009 -0.0044 5498 SER 31 CA 0.0008 -0.0007 -0.0074 5499 SER 31 C 0.0016 -0.0008 -0.0081 5500 SER 31 O 0.0025 -0.0010 -0.0062 5501 SER 31 CB -0.0019 -0.0004 -0.0089 5502 SER 31 OG -0.0027 -0.0003 -0.0083 5503 SER 31 H 0.0003 -0.0009 -0.0032 5504 SER 31 HA 0.0024 -0.0009 -0.0081 5505 SER 31 HB2 -0.0036 -0.0002 -0.0081 5506 SER 31 HB3 -0.0017 -0.0003 -0.0111 5507 SER 31 HG -0.0013 -0.0005 -0.0071 5508 ASP 32 N 0.0011 -0.0006 -0.0107 5509 ASP 32 CA 0.0017 -0.0006 -0.0115 5510 ASP 32 C -0.0005 -0.0004 -0.0105 5511 ASP 32 O -0.0005 -0.0004 -0.0113 5512 ASP 32 CB 0.0021 -0.0005 -0.0147 5513 ASP 32 CG -0.0006 -0.0001 -0.0163 5514 ASP 32 OD1 -0.0024 0.0000 -0.0160 5515 ASP 32 OD2 -0.0009 -0.0000 -0.0178 5516 ASP 32 H 0.0003 -0.0004 -0.0120 5517 ASP 32 HA 0.0037 -0.0009 -0.0105 5518 ASP 32 HB2 0.0034 -0.0006 -0.0152 5519 ASP 32 HB3 0.0031 -0.0006 -0.0154 5520 VAL 33 N -0.0025 -0.0003 -0.0089 5521 VAL 33 CA -0.0048 -0.0001 -0.0078 5522 VAL 33 C -0.0039 -0.0004 -0.0052 5523 VAL 33 O -0.0029 -0.0006 -0.0031 5524 VAL 33 CB -0.0074 0.0001 -0.0071 5525 VAL 33 CG1 -0.0066 -0.0001 -0.0054 5526 VAL 33 CG2 -0.0095 0.0002 -0.0055 5527 VAL 33 H -0.0024 -0.0004 -0.0083 5528 VAL 33 HA -0.0053 0.0000 -0.0094 5529 VAL 33 HB -0.0083 0.0003 -0.0090 5530 VAL 33 HG11 -0.0056 -0.0003 -0.0035 5531 VAL 33 HG12 -0.0053 -0.0001 -0.0066 5532 VAL 33 HG13 -0.0085 0.0001 -0.0049 5533 VAL 33 HG21 -0.0086 0.0000 -0.0036 5534 VAL 33 HG22 -0.0113 0.0004 -0.0050 5535 VAL 33 HG23 -0.0101 0.0004 -0.0068 5536 TYR 34 N -0.0042 -0.0003 -0.0054 5537 TYR 34 CA -0.0034 -0.0005 -0.0032 5538 TYR 34 C -0.0050 -0.0003 -0.0035 5539 TYR 34 O -0.0057 -0.0001 -0.0059 5540 TYR 34 CB -0.0003 -0.0008 -0.0031 5541 TYR 34 CG 0.0009 -0.0008 -0.0058 5542 TYR 34 CD1 0.0009 -0.0008 -0.0063 5543 TYR 34 CD2 0.0019 -0.0008 -0.0080 5544 TYR 34 CE1 0.0019 -0.0008 -0.0087 5545 TYR 34 CE2 0.0029 -0.0008 -0.0104 5546 TYR 34 CZ 0.0029 -0.0008 -0.0108 5547 TYR 34 OH 0.0039 -0.0008 -0.0133 5548 TYR 34 H -0.0050 -0.0001 -0.0072 5549 TYR 34 HA -0.0041 -0.0005 -0.0012 5550 TYR 34 HB2 0.0002 -0.0010 -0.0015 5551 TYR 34 HB3 0.0008 -0.0010 -0.0028 5552 TYR 34 HD1 0.0002 -0.0008 -0.0046 5553 TYR 34 HD2 0.0018 -0.0008 -0.0077 5554 TYR 34 HE1 0.0020 -0.0008 -0.0090 5555 TYR 34 HE2 0.0036 -0.0008 -0.0121 5556 TYR 34 HH 0.0025 -0.0005 -0.0147 5557 THR 35 N -0.0056 -0.0004 -0.0012 5558 THR 35 CA -0.0070 -0.0002 -0.0013 5559 THR 35 C -0.0050 -0.0005 -0.0004 5560 THR 35 O -0.0036 -0.0007 0.0017 5561 THR 35 CB -0.0096 -0.0001 0.0006 5562 THR 35 OG1 -0.0101 -0.0001 0.0017 5563 THR 35 CG2 -0.0121 0.0003 -0.0011 5564 THR 35 H -0.0050 -0.0005 0.0006 5565 THR 35 HA -0.0076 -0.0001 -0.0035 5566 THR 35 HB -0.0092 -0.0002 0.0022 5567 THR 35 HG1 -0.0092 -0.0001 0.0006 5568 THR 35 HG21 -0.0117 0.0003 -0.0019 5569 THR 35 HG22 -0.0139 0.0004 0.0003 5570 THR 35 HG23 -0.0125 0.0004 -0.0028 5571 VAL 36 N -0.0049 -0.0004 -0.0021 5572 VAL 36 CA -0.0031 -0.0006 -0.0015 5573 VAL 36 C -0.0045 -0.0006 0.0004 5574 VAL 36 O -0.0066 -0.0003 -0.0003 5575 VAL 36 CB -0.0021 -0.0006 -0.0042 5576 VAL 36 CG1 -0.0002 -0.0008 -0.0036 5577 VAL 36 CG2 -0.0007 -0.0006 -0.0062 5578 VAL 36 H -0.0060 -0.0002 -0.0038 5579 VAL 36 HA -0.0012 -0.0009 -0.0005 5580 VAL 36 HB -0.0040 -0.0003 -0.0053 5581 VAL 36 HG11 0.0001 -0.0008 -0.0054 5582 VAL 36 HG12 0.0017 -0.0011 -0.0028 5583 VAL 36 HG13 -0.0012 -0.0008 -0.0020 5584 VAL 36 HG21 -0.0002 -0.0006 -0.0081 5585 VAL 36 HG22 -0.0021 -0.0005 -0.0067 5586 VAL 36 HG23 0.0011 -0.0009 -0.0053 5587 HIS 37 N -0.0010 -0.0008 -0.0001 5588 HIS 37 CA -0.0010 -0.0010 -0.0004 5589 HIS 37 C -0.0012 -0.0007 -0.0007 5590 HIS 37 O -0.0012 -0.0004 -0.0006 5591 HIS 37 CB -0.0010 -0.0012 -0.0003 5592 HIS 37 CG -0.0009 -0.0015 -0.0002 5593 HIS 37 ND1 -0.0009 -0.0018 -0.0003 5594 HIS 37 CD2 -0.0007 -0.0016 0.0002 5595 HIS 37 CE1 -0.0008 -0.0020 -0.0001 5596 HIS 37 NE2 -0.0007 -0.0019 0.0002 5597 HIS 37 H -0.0009 -0.0006 -0.0000 5598 HIS 37 HA -0.0011 -0.0011 -0.0005 5599 HIS 37 HB2 -0.0009 -0.0011 -0.0002 5600 HIS 37 HB3 -0.0010 -0.0013 -0.0005 5601 HIS 37 HD2 -0.0007 -0.0014 0.0004 5602 HIS 37 HE1 -0.0008 -0.0023 -0.0002 5603 HIS 37 HE2 -0.0006 -0.0020 0.0004 5604 HIS 38 N -0.0013 -0.0009 -0.0009 5605 HIS 38 CA -0.0014 -0.0007 -0.0012 5606 HIS 38 C -0.0014 -0.0009 -0.0013 5607 HIS 38 O -0.0014 -0.0012 -0.0013 5608 HIS 38 CB -0.0015 -0.0006 -0.0014 5609 HIS 38 CG -0.0015 -0.0004 -0.0013 5610 HIS 38 ND1 -0.0015 -0.0000 -0.0012 5611 HIS 38 CD2 -0.0015 -0.0005 -0.0013 5612 HIS 38 CE1 -0.0015 0.0001 -0.0011 5613 HIS 38 NE2 -0.0014 -0.0002 -0.0011 5614 HIS 38 H -0.0012 -0.0011 -0.0009 5615 HIS 38 HA -0.0014 -0.0004 -0.0011 5616 HIS 38 HB2 -0.0015 -0.0008 -0.0015 5617 HIS 38 HB3 -0.0016 -0.0004 -0.0016 5618 HIS 38 HD2 -0.0014 -0.0007 -0.0013 5619 HIS 38 HE1 -0.0015 0.0003 -0.0011 5620 HIS 38 HE2 -0.0014 -0.0002 -0.0010 5621 MET 39 N -0.0015 -0.0007 -0.0015 5622 MET 39 CA -0.0015 -0.0009 -0.0016 5623 MET 39 C -0.0017 -0.0007 -0.0019 5624 MET 39 O -0.0017 -0.0003 -0.0019 5625 MET 39 CB -0.0014 -0.0009 -0.0013 5626 MET 39 CG -0.0013 -0.0011 -0.0011 5627 MET 39 SD -0.0012 -0.0013 -0.0009 5628 MET 39 CE -0.0012 -0.0009 -0.0008 5629 MET 39 H -0.0015 -0.0004 -0.0015 5630 MET 39 HA -0.0016 -0.0011 -0.0017 5631 MET 39 HB2 -0.0014 -0.0006 -0.0013 5632 MET 39 HB3 -0.0015 -0.0010 -0.0015 5633 MET 39 HG2 -0.0013 -0.0013 -0.0011 5634 MET 39 HG3 -0.0012 -0.0009 -0.0009 5635 MET 39 HE1 -0.0013 -0.0008 -0.0010 5636 MET 39 HE2 -0.0011 -0.0007 -0.0006 5637 MET 39 HE3 -0.0011 -0.0010 -0.0006 5638 VAL 40 N -0.0018 -0.0008 -0.0021 5639 VAL 40 CA -0.0019 -0.0007 -0.0024 5640 VAL 40 C -0.0019 -0.0005 -0.0023 5641 VAL 40 O -0.0019 -0.0007 -0.0023 5642 VAL 40 CB -0.0020 -0.0009 -0.0027 5643 VAL 40 CG1 -0.0019 -0.0012 -0.0026 5644 VAL 40 CG2 -0.0021 -0.0007 -0.0030 5645 VAL 40 H -0.0017 -0.0011 -0.0021 5646 VAL 40 HA -0.0020 -0.0005 -0.0025 5647 VAL 40 HB -0.0020 -0.0010 -0.0028 5648 VAL 40 HG11 -0.0018 -0.0014 -0.0024 5649 VAL 40 HG12 -0.0020 -0.0014 -0.0028 5650 VAL 40 HG13 -0.0019 -0.0012 -0.0025 5651 VAL 40 HG21 -0.0022 -0.0005 -0.0030 5652 VAL 40 HG22 -0.0021 -0.0007 -0.0029 5653 VAL 40 HG23 -0.0022 -0.0009 -0.0032 5654 TRP 41 N -0.0019 -0.0002 -0.0022 5655 TRP 41 CA -0.0019 0.0001 -0.0022 5656 TRP 41 C -0.0020 0.0001 -0.0024 5657 TRP 41 O -0.0020 0.0001 -0.0024 5658 TRP 41 CB -0.0019 0.0004 -0.0020 5659 TRP 41 CG -0.0018 0.0006 -0.0018 5660 TRP 41 CD1 -0.0019 0.0009 -0.0018 5661 TRP 41 CD2 -0.0017 0.0004 -0.0015 5662 TRP 41 NE1 -0.0018 0.0010 -0.0015 5663 TRP 41 CE2 -0.0016 0.0007 -0.0014 5664 TRP 41 CE3 -0.0016 0.0001 -0.0014 5665 TRP 41 CZ2 -0.0015 0.0006 -0.0011 5666 TRP 41 CZ3 -0.0014 0.0001 -0.0011 5667 TRP 41 CH2 -0.0014 0.0003 -0.0009 5668 TRP 41 H -0.0019 -0.0000 -0.0023 5669 TRP 41 HA -0.0018 -0.0001 -0.0020 5670 TRP 41 HB2 -0.0019 0.0004 -0.0019 5671 TRP 41 HB3 -0.0020 0.0006 -0.0023 5672 TRP 41 HD1 -0.0020 0.0011 -0.0020 5673 TRP 41 HE1 -0.0018 0.0012 -0.0015 5674 TRP 41 HE3 -0.0016 -0.0001 -0.0015 5675 TRP 41 HZ2 -0.0015 0.0008 -0.0009 5676 TRP 41 HZ3 -0.0014 -0.0002 -0.0010 5677 TRP 41 HH2 -0.0013 0.0003 -0.0007 5678 HIS 42 N -0.0021 0.0001 -0.0027 5679 HIS 42 CA -0.0023 0.0001 -0.0030 5680 HIS 42 C -0.0024 0.0000 -0.0033 5681 HIS 42 O -0.0024 0.0001 -0.0033 5682 HIS 42 CB -0.0023 0.0005 -0.0030 5683 HIS 42 CG -0.0024 0.0006 -0.0032 5684 HIS 42 ND1 -0.0023 0.0007 -0.0030 5685 HIS 42 CD2 -0.0025 0.0005 -0.0035 5686 HIS 42 CE1 -0.0024 0.0007 -0.0031 5687 HIS 42 NE2 -0.0025 0.0006 -0.0035 5688 HIS 42 H -0.0022 0.0001 -0.0027 5689 HIS 42 HA -0.0022 -0.0000 -0.0030 5690 HIS 42 HB2 -0.0022 0.0007 -0.0028 5691 HIS 42 HB3 -0.0024 0.0006 -0.0032 5692 HIS 42 HD2 -0.0026 0.0005 -0.0037 5693 HIS 42 HE1 -0.0024 0.0007 -0.0031 5694 HIS 42 HE2 -0.0026 0.0005 -0.0036 5695 VAL 43 N -0.0056 0.0002 -0.0061 5696 VAL 43 CA -0.0049 0.0001 -0.0060 5697 VAL 43 C -0.0058 0.0002 -0.0073 5698 VAL 43 O -0.0060 0.0001 -0.0089 5699 VAL 43 CB -0.0029 -0.0002 -0.0062 5700 VAL 43 CG1 -0.0024 -0.0003 -0.0079 5701 VAL 43 CG2 -0.0021 -0.0003 -0.0063 5702 VAL 43 H -0.0056 0.0002 -0.0072 5703 VAL 43 HA -0.0051 0.0002 -0.0047 5704 VAL 43 HB -0.0023 -0.0002 -0.0051 5705 VAL 43 HG11 -0.0026 -0.0003 -0.0077 5706 VAL 43 HG12 -0.0010 -0.0005 -0.0082 5707 VAL 43 HG13 -0.0031 -0.0003 -0.0090 5708 VAL 43 HG21 -0.0024 -0.0002 -0.0050 5709 VAL 43 HG22 -0.0027 -0.0002 -0.0073 5710 VAL 43 HG23 -0.0007 -0.0005 -0.0065 5711 GLU 44 N -0.0064 0.0003 -0.0066 5712 GLU 44 CA -0.0074 0.0004 -0.0076 5713 GLU 44 C -0.0062 0.0001 -0.0090 5714 GLU 44 O -0.0050 0.0000 -0.0085 5715 GLU 44 CB -0.0081 0.0005 -0.0064 5716 GLU 44 CG -0.0101 0.0008 -0.0062 5717 GLU 44 CD -0.0109 0.0010 -0.0052 5718 GLU 44 OE1 -0.0108 0.0010 -0.0036 5719 GLU 44 OE2 -0.0117 0.0010 -0.0061 5720 GLU 44 H -0.0062 0.0003 -0.0054 5721 GLU 44 HA -0.0084 0.0005 -0.0083 5722 GLU 44 HB2 -0.0075 0.0005 -0.0051 5723 GLU 44 HB3 -0.0079 0.0005 -0.0069 5724 GLU 44 HG2 -0.0107 0.0008 -0.0075 5725 GLU 44 HG3 -0.0104 0.0009 -0.0054 5726 ASP 45 N -0.0066 0.0001 -0.0107 5727 ASP 45 CA -0.0056 -0.0001 -0.0121 5728 ASP 45 C -0.0062 -0.0000 -0.0125 5729 ASP 45 O -0.0063 -0.0001 -0.0141 5730 ASP 45 CB -0.0058 -0.0001 -0.0138 5731 ASP 45 CG -0.0077 0.0001 -0.0143 5732 ASP 45 OD1 -0.0087 0.0003 -0.0132 5733 ASP 45 OD2 -0.0083 0.0001 -0.0158 5734 ASP 45 H -0.0076 0.0002 -0.0109 5735 ASP 45 HA -0.0042 -0.0003 -0.0118 5736 ASP 45 HB2 -0.0052 -0.0003 -0.0149 5737 ASP 45 HB3 -0.0052 -0.0002 -0.0136 5738 GLY 46 N -0.0065 0.0001 -0.0111 5739 GLY 46 CA -0.0071 0.0002 -0.0113 5740 GLY 46 C -0.0057 -0.0000 -0.0108 5741 GLY 46 O -0.0060 0.0000 -0.0111 5742 GLY 46 H -0.0064 0.0001 -0.0099 5743 GLY 46 HA2 -0.0075 0.0001 -0.0127 5744 GLY 46 HA3 -0.0083 0.0003 -0.0105 5745 GLY 47 N -0.0043 -0.0002 -0.0101 5746 GLY 47 CA -0.0029 -0.0003 -0.0096 5747 GLY 47 C -0.0016 -0.0004 -0.0082 5748 GLY 47 O -0.0000 -0.0006 -0.0084 5749 GLY 47 H -0.0041 -0.0002 -0.0098 5750 GLY 47 HA2 -0.0022 -0.0005 -0.0107 5751 GLY 47 HA3 -0.0036 -0.0002 -0.0090 5752 PRO 48 N -0.0022 -0.0003 -0.0067 5753 PRO 48 CA -0.0011 -0.0003 -0.0052 5754 PRO 48 C 0.0003 -0.0005 -0.0058 5755 PRO 48 O 0.0012 -0.0007 -0.0070 5756 PRO 48 CB -0.0024 -0.0001 -0.0039 5757 PRO 48 CG -0.0040 0.0001 -0.0042 5758 PRO 48 CD -0.0041 0.0000 -0.0062 5759 PRO 48 HA -0.0003 -0.0004 -0.0046 5760 PRO 48 HB2 -0.0026 -0.0001 -0.0041 5761 PRO 48 HB3 -0.0018 -0.0001 -0.0026 5762 PRO 48 HG2 -0.0051 0.0003 -0.0037 5763 PRO 48 HG3 -0.0039 0.0001 -0.0036 5764 PRO 48 HD2 -0.0047 0.0001 -0.0067 5765 PRO 48 HD3 -0.0048 0.0001 -0.0065 5766 ALA 49 N -0.0011 0.0005 -0.0052 5767 ALA 49 CA -0.0004 0.0005 -0.0053 5768 ALA 49 C -0.0003 0.0007 -0.0069 5769 ALA 49 O 0.0008 0.0006 -0.0074 5770 ALA 49 CB -0.0012 0.0004 -0.0043 5771 ALA 49 H -0.0018 0.0005 -0.0044 5772 ALA 49 HA 0.0007 0.0002 -0.0050 5773 ALA 49 HB1 -0.0004 0.0002 -0.0036 5774 ALA 49 HB2 -0.0016 0.0006 -0.0050 5775 ALA 49 HB3 -0.0020 0.0004 -0.0037 5776 SER 50 N -0.0015 0.0010 -0.0077 5777 SER 50 CA -0.0015 0.0013 -0.0092 5778 SER 50 C -0.0002 0.0013 -0.0101 5779 SER 50 O 0.0007 0.0012 -0.0106 5780 SER 50 CB -0.0029 0.0016 -0.0099 5781 SER 50 OG -0.0040 0.0017 -0.0094 5782 SER 50 H -0.0023 0.0011 -0.0073 5783 SER 50 HA -0.0014 0.0013 -0.0092 5784 SER 50 HB2 -0.0032 0.0016 -0.0095 5785 SER 50 HB3 -0.0028 0.0018 -0.0110 5786 SER 50 HG -0.0038 0.0017 -0.0097 5787 GLU 51 N -0.0002 0.0013 -0.0103 5788 GLU 51 CA 0.0009 0.0013 -0.0111 5789 GLU 51 C 0.0024 0.0009 -0.0105 5790 GLU 51 O 0.0035 0.0009 -0.0112 5791 GLU 51 CB 0.0006 0.0013 -0.0112 5792 GLU 51 CG -0.0008 0.0017 -0.0121 5793 GLU 51 CD -0.0005 0.0019 -0.0137 5794 GLU 51 OE1 -0.0006 0.0020 -0.0143 5795 GLU 51 OE2 -0.0002 0.0020 -0.0144 5796 GLU 51 H -0.0010 0.0013 -0.0098 5797 GLU 51 HA 0.0009 0.0015 -0.0122 5798 GLU 51 HB2 0.0004 0.0012 -0.0102 5799 GLU 51 HB3 0.0015 0.0013 -0.0117 5800 GLU 51 HG2 -0.0016 0.0018 -0.0118 5801 GLU 51 HG3 -0.0012 0.0017 -0.0119 5802 ALA 52 N 0.0024 0.0007 -0.0091 5803 ALA 52 CA 0.0037 0.0004 -0.0083 5804 ALA 52 C 0.0044 0.0004 -0.0089 5805 ALA 52 O 0.0058 0.0002 -0.0088 5806 ALA 52 CB 0.0034 0.0001 -0.0067 5807 ALA 52 H 0.0015 0.0007 -0.0085 5808 ALA 52 HA 0.0045 0.0003 -0.0085 5809 ALA 52 HB1 0.0025 0.0002 -0.0064 5810 ALA 52 HB2 0.0043 -0.0001 -0.0061 5811 ALA 52 HB3 0.0032 0.0001 -0.0064 5812 GLY 53 N 0.0036 0.0006 -0.0094 5813 GLY 53 CA 0.0041 0.0006 -0.0100 5814 GLY 53 C 0.0033 0.0006 -0.0094 5815 GLY 53 O 0.0035 0.0007 -0.0098 5816 GLY 53 H 0.0025 0.0007 -0.0094 5817 GLY 53 HA2 0.0040 0.0008 -0.0111 5818 GLY 53 HA3 0.0052 0.0004 -0.0097 5819 LEU 54 N 0.0023 0.0006 -0.0083 5820 LEU 54 CA 0.0015 0.0006 -0.0076 5821 LEU 54 C 0.0003 0.0009 -0.0086 5822 LEU 54 O -0.0006 0.0012 -0.0091 5823 LEU 54 CB 0.0007 0.0005 -0.0062 5824 LEU 54 CG 0.0005 0.0003 -0.0050 5825 LEU 54 CD1 -0.0003 0.0002 -0.0037 5826 LEU 54 CD2 -0.0003 0.0005 -0.0056 5827 LEU 54 H 0.0022 0.0005 -0.0080 5828 LEU 54 HA 0.0022 0.0004 -0.0074 5829 LEU 54 HB2 0.0013 0.0003 -0.0058 5830 LEU 54 HB3 -0.0004 0.0007 -0.0065 5831 LEU 54 HG 0.0016 0.0001 -0.0047 5832 LEU 54 HD11 0.0004 -0.0000 -0.0032 5833 LEU 54 HD12 -0.0005 0.0001 -0.0030 5834 LEU 54 HD13 -0.0013 0.0004 -0.0040 5835 LEU 54 HD21 0.0000 0.0006 -0.0067 5836 LEU 54 HD22 -0.0015 0.0007 -0.0055 5837 LEU 54 HD23 -0.0001 0.0003 -0.0049 5838 ARG 55 N 0.0001 0.0010 -0.0037 5839 ARG 55 CA -0.0001 0.0011 -0.0037 5840 ARG 55 C -0.0002 0.0012 -0.0036 5841 ARG 55 O -0.0002 0.0011 -0.0034 5842 ARG 55 CB 0.0000 0.0011 -0.0038 5843 ARG 55 CG 0.0002 0.0010 -0.0037 5844 ARG 55 CD 0.0001 0.0010 -0.0036 5845 ARG 55 NE 0.0000 0.0011 -0.0038 5846 ARG 55 CZ -0.0000 0.0011 -0.0037 5847 ARG 55 NH1 -0.0000 0.0011 -0.0035 5848 ARG 55 NH2 -0.0000 0.0012 -0.0039 5849 ARG 55 H 0.0002 0.0010 -0.0036 5850 ARG 55 HA -0.0001 0.0012 -0.0039 5851 ARG 55 HB2 -0.0001 0.0012 -0.0039 5852 ARG 55 HB3 0.0001 0.0011 -0.0040 5853 ARG 55 HG2 0.0003 0.0009 -0.0038 5854 ARG 55 HG3 0.0002 0.0009 -0.0036 5855 ARG 55 HD2 0.0002 0.0009 -0.0035 5856 ARG 55 HD3 -0.0001 0.0011 -0.0035 5857 ARG 55 HE 0.0001 0.0011 -0.0039 5858 ARG 55 HH11 0.0000 0.0010 -0.0034 5859 ARG 55 HH12 -0.0001 0.0011 -0.0035 5860 ARG 55 HH21 -0.0000 0.0012 -0.0041 5861 ARG 55 HH22 -0.0001 0.0012 -0.0039 5862 GLN 56 N -0.0004 0.0013 -0.0036 5863 GLN 56 CA -0.0006 0.0014 -0.0034 5864 GLN 56 C -0.0006 0.0013 -0.0034 5865 GLN 56 O -0.0005 0.0013 -0.0035 5866 GLN 56 CB -0.0008 0.0015 -0.0035 5867 GLN 56 CG -0.0010 0.0016 -0.0034 5868 GLN 56 CD -0.0011 0.0017 -0.0035 5869 GLN 56 OE1 -0.0011 0.0017 -0.0036 5870 GLN 56 NE2 -0.0013 0.0018 -0.0034 5871 GLN 56 H -0.0004 0.0013 -0.0037 5872 GLN 56 HA -0.0006 0.0013 -0.0033 5873 GLN 56 HB2 -0.0008 0.0015 -0.0036 5874 GLN 56 HB3 -0.0008 0.0015 -0.0037 5875 GLN 56 HG2 -0.0010 0.0016 -0.0033 5876 GLN 56 HG3 -0.0009 0.0015 -0.0032 5877 GLN 56 HE21 -0.0013 0.0017 -0.0033 5878 GLN 56 HE22 -0.0014 0.0018 -0.0035 5879 GLY 57 N -0.0007 0.0013 -0.0031 5880 GLY 57 CA -0.0007 0.0013 -0.0031 5881 GLY 57 C -0.0005 0.0012 -0.0030 5882 GLY 57 O -0.0005 0.0011 -0.0029 5883 GLY 57 H -0.0007 0.0013 -0.0030 5884 GLY 57 HA2 -0.0008 0.0013 -0.0029 5885 GLY 57 HA3 -0.0007 0.0013 -0.0032 5886 ASP 58 N -0.0003 0.0011 -0.0029 5887 ASP 58 CA -0.0001 0.0010 -0.0029 5888 ASP 58 C -0.0002 0.0009 -0.0026 5889 ASP 58 O -0.0003 0.0010 -0.0025 5890 ASP 58 CB 0.0000 0.0009 -0.0030 5891 ASP 58 CG 0.0002 0.0008 -0.0030 5892 ASP 58 OD1 0.0003 0.0007 -0.0028 5893 ASP 58 OD2 0.0003 0.0008 -0.0032 5894 ASP 58 H -0.0004 0.0011 -0.0030 5895 ASP 58 HA -0.0001 0.0009 -0.0029 5896 ASP 58 HB2 -0.0000 0.0010 -0.0031 5897 ASP 58 HB3 0.0000 0.0009 -0.0029 5898 LEU 59 N -0.0000 0.0008 -0.0025 5899 LEU 59 CA -0.0000 0.0007 -0.0022 5900 LEU 59 C 0.0001 0.0006 -0.0022 5901 LEU 59 O 0.0003 0.0006 -0.0023 5902 LEU 59 CB -0.0000 0.0007 -0.0021 5903 LEU 59 CG 0.0001 0.0006 -0.0019 5904 LEU 59 CD1 -0.0001 0.0007 -0.0017 5905 LEU 59 CD2 0.0002 0.0005 -0.0019 5906 LEU 59 H 0.0001 0.0008 -0.0026 5907 LEU 59 HA -0.0002 0.0008 -0.0022 5908 LEU 59 HB2 -0.0002 0.0008 -0.0021 5909 LEU 59 HB3 0.0001 0.0007 -0.0022 5910 LEU 59 HG 0.0002 0.0005 -0.0019 5911 LEU 59 HD11 -0.0002 0.0007 -0.0017 5912 LEU 59 HD12 -0.0001 0.0006 -0.0016 5913 LEU 59 HD13 -0.0002 0.0007 -0.0017 5914 LEU 59 HD21 0.0002 0.0005 -0.0017 5915 LEU 59 HD22 0.0003 0.0005 -0.0020 5916 LEU 59 HD23 0.0001 0.0006 -0.0019 5917 ILE 60 N 0.0001 0.0006 -0.0021 5918 ILE 60 CA 0.0002 0.0005 -0.0020 5919 ILE 60 C 0.0003 0.0004 -0.0018 5920 ILE 60 O 0.0002 0.0004 -0.0016 5921 ILE 60 CB 0.0001 0.0006 -0.0019 5922 ILE 60 CG1 0.0000 0.0007 -0.0021 5923 ILE 60 CG2 0.0003 0.0005 -0.0018 5924 ILE 60 CD1 -0.0001 0.0008 -0.0022 5925 ILE 60 H -0.0001 0.0007 -0.0020 5926 ILE 60 HA 0.0003 0.0005 -0.0021 5927 ILE 60 HB -0.0000 0.0006 -0.0018 5928 ILE 60 HG12 0.0000 0.0007 -0.0021 5929 ILE 60 HG13 0.0002 0.0006 -0.0023 5930 ILE 60 HG21 0.0004 0.0004 -0.0020 5931 ILE 60 HG22 0.0003 0.0004 -0.0017 5932 ILE 60 HG23 0.0002 0.0005 -0.0018 5933 ILE 60 HD11 -0.0003 0.0008 -0.0020 5934 ILE 60 HD12 -0.0001 0.0008 -0.0023 5935 ILE 60 HD13 -0.0002 0.0009 -0.0023 5936 THR 61 N -0.0001 0.0025 -0.0033 5937 THR 61 CA -0.0001 0.0025 -0.0034 5938 THR 61 C 0.0004 0.0021 -0.0026 5939 THR 61 O 0.0002 0.0017 -0.0025 5940 THR 61 CB 0.0001 0.0035 -0.0039 5941 THR 61 OG1 0.0010 0.0040 -0.0034 5942 THR 61 CG2 -0.0003 0.0040 -0.0046 5943 THR 61 H 0.0004 0.0029 -0.0032 5944 THR 61 HA -0.0007 0.0022 -0.0037 5945 THR 61 HB 0.0000 0.0035 -0.0040 5946 THR 61 HG1 0.0013 0.0039 -0.0031 5947 THR 61 HG21 -0.0001 0.0040 -0.0044 5948 THR 61 HG22 -0.0009 0.0036 -0.0049 5949 THR 61 HG23 -0.0001 0.0046 -0.0049 5950 HIS 62 N 0.0011 0.0023 -0.0021 5951 HIS 62 CA 0.0017 0.0020 -0.0014 5952 HIS 62 C 0.0020 0.0016 -0.0008 5953 HIS 62 O 0.0020 0.0019 -0.0010 5954 HIS 62 CB 0.0023 0.0027 -0.0013 5955 HIS 62 CG 0.0021 0.0030 -0.0017 5956 HIS 62 ND1 0.0016 0.0035 -0.0025 5957 HIS 62 CD2 0.0022 0.0028 -0.0015 5958 HIS 62 CE1 0.0015 0.0036 -0.0027 5959 HIS 62 NE2 0.0019 0.0032 -0.0021 5960 HIS 62 H 0.0012 0.0026 -0.0023 5961 HIS 62 HA 0.0014 0.0014 -0.0013 5962 HIS 62 HB2 0.0026 0.0033 -0.0015 5963 HIS 62 HB3 0.0028 0.0025 -0.0007 5964 HIS 62 HD2 0.0025 0.0024 -0.0009 5965 HIS 62 HE1 0.0012 0.0040 -0.0032 5966 HIS 62 HE2 0.0019 0.0033 -0.0021 5967 VAL 63 N 0.0023 0.0011 -0.0001 5968 VAL 63 CA 0.0027 0.0007 0.0005 5969 VAL 63 C 0.0035 0.0006 0.0012 5970 VAL 63 O 0.0034 0.0001 0.0015 5971 VAL 63 CB 0.0022 -0.0002 0.0006 5972 VAL 63 CG1 0.0018 -0.0009 0.0008 5973 VAL 63 CG2 0.0026 -0.0006 0.0013 5974 VAL 63 H 0.0023 0.0009 -0.0000 5975 VAL 63 HA 0.0029 0.0011 0.0004 5976 VAL 63 HB 0.0017 -0.0001 0.0001 5977 VAL 63 HG11 0.0015 -0.0006 0.0003 5978 VAL 63 HG12 0.0014 -0.0015 0.0008 5979 VAL 63 HG13 0.0023 -0.0010 0.0013 5980 VAL 63 HG21 0.0022 -0.0009 0.0011 5981 VAL 63 HG22 0.0031 -0.0000 0.0014 5982 VAL 63 HG23 0.0027 -0.0011 0.0018 5983 ASN 64 N 0.0041 0.0012 0.0015 5984 ASN 64 CA 0.0049 0.0012 0.0022 5985 ASN 64 C 0.0050 0.0014 0.0021 5986 ASN 64 O 0.0054 0.0012 0.0027 5987 ASN 64 CB 0.0049 0.0003 0.0029 5988 ASN 64 CG 0.0056 0.0003 0.0034 5989 ASN 64 OD1 0.0058 0.0009 0.0033 5990 ASN 64 ND2 0.0060 -0.0002 0.0042 5991 ASN 64 H 0.0041 0.0016 0.0012 5992 ASN 64 HA 0.0054 0.0017 0.0023 5993 ASN 64 HB2 0.0044 -0.0001 0.0027 5994 ASN 64 HB3 0.0050 0.0001 0.0031 5995 ASN 64 HD21 0.0058 -0.0006 0.0043 5996 ASN 64 HD22 0.0064 -0.0002 0.0045 5997 GLY 65 N 0.0046 0.0020 0.0014 5998 GLY 65 CA 0.0047 0.0022 0.0013 5999 GLY 65 C 0.0041 0.0015 0.0013 6000 GLY 65 O 0.0043 0.0013 0.0016 6001 GLY 65 H 0.0043 0.0022 0.0010 6002 GLY 65 HA2 0.0045 0.0028 0.0007 6003 GLY 65 HA3 0.0053 0.0024 0.0017 6004 GLU 66 N 0.0034 0.0010 0.0009 6005 GLU 66 CA 0.0028 0.0003 0.0009 6006 GLU 66 C 0.0020 0.0003 0.0001 6007 GLU 66 O 0.0017 0.0001 0.0000 6008 GLU 66 CB 0.0029 -0.0005 0.0015 6009 GLU 66 CG 0.0026 -0.0013 0.0018 6010 GLU 66 CD 0.0030 -0.0010 0.0019 6011 GLU 66 OE1 0.0037 -0.0008 0.0025 6012 GLU 66 OE2 0.0025 -0.0008 0.0014 6013 GLU 66 H 0.0033 0.0012 0.0007 6014 GLU 66 HA 0.0029 0.0004 0.0009 6015 GLU 66 HB2 0.0035 -0.0004 0.0020 6016 GLU 66 HB3 0.0025 -0.0008 0.0014 6017 GLU 66 HG2 0.0029 -0.0018 0.0024 6018 GLU 66 HG3 0.0020 -0.0016 0.0015 6019 PRO 67 N 0.0001 0.0005 -0.0009 6020 PRO 67 CA -0.0002 0.0006 -0.0010 6021 PRO 67 C -0.0003 0.0003 -0.0010 6022 PRO 67 O -0.0003 0.0000 -0.0009 6023 PRO 67 CB -0.0004 0.0006 -0.0011 6024 PRO 67 CG -0.0002 0.0004 -0.0010 6025 PRO 67 CD 0.0001 0.0005 -0.0009 6026 PRO 67 HA -0.0002 0.0009 -0.0010 6027 PRO 67 HB2 -0.0006 0.0004 -0.0011 6028 PRO 67 HB3 -0.0005 0.0008 -0.0012 6029 PRO 67 HG2 -0.0003 0.0001 -0.0010 6030 PRO 67 HG3 -0.0003 0.0006 -0.0010 6031 PRO 67 HD2 0.0003 0.0003 -0.0008 6032 PRO 67 HD3 0.0002 0.0008 -0.0009 6033 VAL 68 N -0.0004 0.0005 -0.0011 6034 VAL 68 CA -0.0005 0.0003 -0.0011 6035 VAL 68 C -0.0008 0.0002 -0.0012 6036 VAL 68 O -0.0010 -0.0000 -0.0012 6037 VAL 68 CB -0.0004 0.0005 -0.0011 6038 VAL 68 CG1 -0.0000 0.0006 -0.0009 6039 VAL 68 CG2 -0.0006 0.0008 -0.0012 6040 VAL 68 H -0.0004 0.0008 -0.0011 6041 VAL 68 HA -0.0003 0.0001 -0.0010 6042 VAL 68 HB -0.0005 0.0003 -0.0011 6043 VAL 68 HG11 0.0000 0.0008 -0.0009 6044 VAL 68 HG12 0.0000 0.0008 -0.0009 6045 VAL 68 HG13 0.0001 0.0004 -0.0008 6046 VAL 68 HG21 -0.0009 0.0007 -0.0013 6047 VAL 68 HG22 -0.0006 0.0010 -0.0012 6048 VAL 68 HG23 -0.0006 0.0009 -0.0012 6049 HIS 69 N -0.0010 0.0003 -0.0013 6050 HIS 69 CA -0.0013 0.0003 -0.0014 6051 HIS 69 C -0.0014 -0.0001 -0.0014 6052 HIS 69 O -0.0014 -0.0003 -0.0013 6053 HIS 69 CB -0.0014 0.0005 -0.0015 6054 HIS 69 CG -0.0014 0.0009 -0.0015 6055 HIS 69 ND1 -0.0015 0.0011 -0.0016 6056 HIS 69 CD2 -0.0012 0.0011 -0.0015 6057 HIS 69 CE1 -0.0014 0.0014 -0.0016 6058 HIS 69 NE2 -0.0012 0.0014 -0.0016 6059 HIS 69 H -0.0009 0.0005 -0.0012 6060 HIS 69 HA -0.0015 0.0004 -0.0015 6061 HIS 69 HB2 -0.0012 0.0004 -0.0014 6062 HIS 69 HB3 -0.0016 0.0004 -0.0016 6063 HIS 69 HD2 -0.0011 0.0010 -0.0014 6064 HIS 69 HE1 -0.0015 0.0017 -0.0017 6065 HIS 69 HE2 -0.0012 0.0016 -0.0016 6066 GLY 70 N -0.0016 -0.0003 -0.0014 6067 GLY 70 CA -0.0017 -0.0006 -0.0014 6068 GLY 70 C -0.0015 -0.0009 -0.0013 6069 GLY 70 O -0.0016 -0.0012 -0.0013 6070 GLY 70 H -0.0016 -0.0001 -0.0015 6071 GLY 70 HA2 -0.0020 -0.0007 -0.0015 6072 GLY 70 HA3 -0.0017 -0.0007 -0.0014 6073 LEU 71 N -0.0012 -0.0007 -0.0012 6074 LEU 71 CA -0.0010 -0.0009 -0.0011 6075 LEU 71 C -0.0011 -0.0010 -0.0011 6076 LEU 71 O -0.0013 -0.0008 -0.0012 6077 LEU 71 CB -0.0006 -0.0007 -0.0009 6078 LEU 71 CG -0.0004 -0.0007 -0.0009 6079 LEU 71 CD1 -0.0001 -0.0006 -0.0008 6080 LEU 71 CD2 -0.0005 -0.0010 -0.0008 6081 LEU 71 H -0.0012 -0.0005 -0.0012 6082 LEU 71 HA -0.0010 -0.0012 -0.0010 6083 LEU 71 HB2 -0.0007 -0.0005 -0.0010 6084 LEU 71 HB3 -0.0005 -0.0009 -0.0009 6085 LEU 71 HG -0.0006 -0.0005 -0.0010 6086 LEU 71 HD11 -0.0001 -0.0003 -0.0008 6087 LEU 71 HD12 0.0000 -0.0005 -0.0007 6088 LEU 71 HD13 0.0000 -0.0008 -0.0007 6089 LEU 71 HD21 -0.0004 -0.0012 -0.0008 6090 LEU 71 HD22 -0.0003 -0.0010 -0.0008 6091 LEU 71 HD23 -0.0007 -0.0011 -0.0009 6092 VAL 72 N -0.0011 -0.0013 -0.0010 6093 VAL 72 CA -0.0012 -0.0014 -0.0011 6094 VAL 72 C -0.0009 -0.0012 -0.0010 6095 VAL 72 O -0.0006 -0.0011 -0.0009 6096 VAL 72 CB -0.0012 -0.0018 -0.0010 6097 VAL 72 CG1 -0.0009 -0.0020 -0.0008 6098 VAL 72 CG2 -0.0015 -0.0019 -0.0011 6099 VAL 72 H -0.0010 -0.0015 -0.0010 6100 VAL 72 HA -0.0014 -0.0013 -0.0012 6101 VAL 72 HB -0.0013 -0.0019 -0.0010 6102 VAL 72 HG11 -0.0008 -0.0019 -0.0008 6103 VAL 72 HG12 -0.0007 -0.0018 -0.0008 6104 VAL 72 HG13 -0.0009 -0.0022 -0.0008 6105 VAL 72 HG21 -0.0016 -0.0022 -0.0011 6106 VAL 72 HG22 -0.0017 -0.0017 -0.0012 6107 VAL 72 HG23 -0.0013 -0.0019 -0.0010 6108 HIS 73 N -0.0018 -0.0017 0.0004 6109 HIS 73 CA -0.0018 -0.0016 0.0003 6110 HIS 73 C -0.0015 -0.0017 0.0007 6111 HIS 73 O -0.0013 -0.0015 0.0007 6112 HIS 73 CB -0.0022 -0.0019 0.0002 6113 HIS 73 CG -0.0022 -0.0018 0.0001 6114 HIS 73 ND1 -0.0024 -0.0017 -0.0003 6115 HIS 73 CD2 -0.0021 -0.0019 0.0003 6116 HIS 73 CE1 -0.0024 -0.0017 -0.0004 6117 HIS 73 NE2 -0.0022 -0.0018 -0.0000 6118 HIS 73 H -0.0020 -0.0018 0.0003 6119 HIS 73 HA -0.0017 -0.0014 0.0001 6120 HIS 73 HB2 -0.0024 -0.0019 0.0000 6121 HIS 73 HB3 -0.0023 -0.0021 0.0005 6122 HIS 73 HD1 -0.0025 -0.0016 -0.0005 6123 HIS 73 HD2 -0.0020 -0.0020 0.0006 6124 HIS 73 HE1 -0.0025 -0.0016 -0.0006 6125 THR 74 N -0.0016 -0.0019 0.0010 6126 THR 74 CA -0.0014 -0.0020 0.0014 6127 THR 74 C -0.0010 -0.0018 0.0016 6128 THR 74 O -0.0008 -0.0018 0.0018 6129 THR 74 CB -0.0016 -0.0024 0.0017 6130 THR 74 OG1 -0.0016 -0.0024 0.0019 6131 THR 74 CG2 -0.0021 -0.0025 0.0015 6132 THR 74 H -0.0018 -0.0021 0.0010 6133 THR 74 HA -0.0014 -0.0020 0.0014 6134 THR 74 HB -0.0015 -0.0024 0.0020 6135 THR 74 HG1 -0.0018 -0.0026 0.0020 6136 THR 74 HG21 -0.0021 -0.0026 0.0015 6137 THR 74 HG22 -0.0022 -0.0028 0.0017 6138 THR 74 HG23 -0.0021 -0.0024 0.0012 6139 GLU 75 N -0.0009 -0.0017 0.0014 6140 GLU 75 CA -0.0005 -0.0015 0.0016 6141 GLU 75 C -0.0003 -0.0012 0.0014 6142 GLU 75 O 0.0001 -0.0011 0.0016 6143 GLU 75 CB -0.0005 -0.0014 0.0014 6144 GLU 75 CG -0.0006 -0.0016 0.0017 6145 GLU 75 CD -0.0005 -0.0015 0.0016 6146 GLU 75 OE1 -0.0007 -0.0015 0.0013 6147 GLU 75 OE2 -0.0002 -0.0015 0.0019 6148 GLU 75 H -0.0011 -0.0017 0.0012 6149 GLU 75 HA -0.0004 -0.0016 0.0019 6150 GLU 75 HB2 -0.0007 -0.0014 0.0012 6151 GLU 75 HB3 -0.0002 -0.0012 0.0014 6152 GLU 75 HG2 -0.0004 -0.0017 0.0020 6153 GLU 75 HG3 -0.0009 -0.0018 0.0017 6154 VAL 76 N -0.0004 -0.0011 0.0010 6155 VAL 76 CA -0.0001 -0.0008 0.0008 6156 VAL 76 C -0.0001 -0.0009 0.0010 6157 VAL 76 O 0.0002 -0.0007 0.0012 6158 VAL 76 CB -0.0003 -0.0006 0.0004 6159 VAL 76 CG1 -0.0002 -0.0005 0.0002 6160 VAL 76 CG2 -0.0007 -0.0008 0.0003 6161 VAL 76 H -0.0006 -0.0011 0.0009 6162 VAL 76 HA 0.0001 -0.0006 0.0009 6163 VAL 76 HB -0.0001 -0.0005 0.0003 6164 VAL 76 HG11 -0.0004 -0.0006 0.0003 6165 VAL 76 HG12 0.0001 -0.0003 0.0003 6166 VAL 76 HG13 -0.0004 -0.0004 -0.0001 6167 VAL 76 HG21 -0.0008 -0.0011 0.0005 6168 VAL 76 HG22 -0.0009 -0.0008 -0.0000 6169 VAL 76 HG23 -0.0007 -0.0008 0.0002 6170 VAL 77 N -0.0004 -0.0011 0.0011 6171 VAL 77 CA -0.0004 -0.0012 0.0013 6172 VAL 77 C -0.0001 -0.0013 0.0017 6173 VAL 77 O 0.0001 -0.0012 0.0018 6174 VAL 77 CB -0.0008 -0.0015 0.0013 6175 VAL 77 CG1 -0.0008 -0.0016 0.0015 6176 VAL 77 CG2 -0.0011 -0.0015 0.0009 6177 VAL 77 H -0.0007 -0.0012 0.0010 6178 VAL 77 HA -0.0003 -0.0011 0.0011 6179 VAL 77 HB -0.0009 -0.0017 0.0015 6180 VAL 77 HG11 -0.0006 -0.0017 0.0018 6181 VAL 77 HG12 -0.0011 -0.0019 0.0016 6182 VAL 77 HG13 -0.0007 -0.0015 0.0013 6183 VAL 77 HG21 -0.0012 -0.0015 0.0008 6184 VAL 77 HG22 -0.0010 -0.0013 0.0007 6185 VAL 77 HG23 -0.0013 -0.0017 0.0009 6186 GLU 78 N -0.0001 -0.0014 0.0019 6187 GLU 78 CA 0.0001 -0.0015 0.0023 6188 GLU 78 C 0.0005 -0.0012 0.0023 6189 GLU 78 O 0.0008 -0.0012 0.0026 6190 GLU 78 CB -0.0000 -0.0017 0.0025 6191 GLU 78 CG -0.0003 -0.0020 0.0027 6192 GLU 78 CD -0.0004 -0.0022 0.0030 6193 GLU 78 OE1 -0.0001 -0.0022 0.0032 6194 GLU 78 OE2 -0.0007 -0.0024 0.0029 6195 GLU 78 H -0.0003 -0.0015 0.0018 6196 GLU 78 HA 0.0001 -0.0016 0.0025 6197 GLU 78 HB2 -0.0001 -0.0016 0.0023 6198 GLU 78 HB3 0.0002 -0.0017 0.0028 6199 GLU 78 HG2 -0.0003 -0.0021 0.0029 6200 GLU 78 HG3 -0.0006 -0.0020 0.0025 6201 LEU 79 N 0.0007 -0.0024 0.0039 6202 LEU 79 CA 0.0016 -0.0016 0.0038 6203 LEU 79 C 0.0020 -0.0012 0.0038 6204 LEU 79 O 0.0028 -0.0008 0.0043 6205 LEU 79 CB 0.0015 -0.0010 0.0027 6206 LEU 79 CG 0.0021 -0.0005 0.0028 6207 LEU 79 CD1 0.0031 0.0000 0.0034 6208 LEU 79 CD2 0.0019 -0.0011 0.0033 6209 LEU 79 H 0.0002 -0.0026 0.0033 6210 LEU 79 HA 0.0020 -0.0016 0.0044 6211 LEU 79 HB2 0.0008 -0.0014 0.0024 6212 LEU 79 HB3 0.0017 -0.0006 0.0022 6213 LEU 79 HG 0.0021 -0.0001 0.0020 6214 LEU 79 HD11 0.0033 0.0004 0.0030 6215 LEU 79 HD12 0.0035 0.0004 0.0034 6216 LEU 79 HD13 0.0032 -0.0004 0.0042 6217 LEU 79 HD21 0.0012 -0.0014 0.0029 6218 LEU 79 HD22 0.0019 -0.0015 0.0041 6219 LEU 79 HD23 0.0023 -0.0007 0.0034 6220 ILE 80 N 0.0014 -0.0014 0.0033 6221 ILE 80 CA 0.0017 -0.0012 0.0033 6222 ILE 80 C 0.0019 -0.0016 0.0044 6223 ILE 80 O 0.0027 -0.0012 0.0048 6224 ILE 80 CB 0.0010 -0.0013 0.0025 6225 ILE 80 CG1 0.0010 -0.0008 0.0014 6226 ILE 80 CG2 0.0012 -0.0013 0.0026 6227 ILE 80 CD1 0.0001 -0.0011 0.0006 6228 ILE 80 H 0.0008 -0.0018 0.0029 6229 ILE 80 HA 0.0023 -0.0005 0.0031 6230 ILE 80 HB 0.0004 -0.0020 0.0026 6231 ILE 80 HG12 0.0015 -0.0002 0.0012 6232 ILE 80 HG13 0.0011 -0.0006 0.0014 6233 ILE 80 HG21 0.0010 -0.0018 0.0033 6234 ILE 80 HG22 0.0008 -0.0012 0.0020 6235 ILE 80 HG23 0.0019 -0.0007 0.0028 6236 ILE 80 HD11 0.0001 -0.0006 -0.0002 6237 ILE 80 HD12 -0.0001 -0.0013 0.0006 6238 ILE 80 HD13 -0.0004 -0.0016 0.0008 6239 LEU 81 N 0.0013 -0.0024 0.0048 6240 LEU 81 CA 0.0014 -0.0029 0.0058 6241 LEU 81 C 0.0022 -0.0026 0.0067 6242 LEU 81 O 0.0027 -0.0026 0.0074 6243 LEU 81 CB 0.0006 -0.0038 0.0061 6244 LEU 81 CG -0.0002 -0.0041 0.0054 6245 LEU 81 CD1 -0.0010 -0.0050 0.0057 6246 LEU 81 CD2 -0.0002 -0.0041 0.0055 6247 LEU 81 H 0.0008 -0.0027 0.0044 6248 LEU 81 HA 0.0016 -0.0027 0.0058 6249 LEU 81 HB2 0.0005 -0.0039 0.0062 6250 LEU 81 HB3 0.0007 -0.0041 0.0069 6251 LEU 81 HG -0.0003 -0.0037 0.0046 6252 LEU 81 HD11 -0.0011 -0.0050 0.0056 6253 LEU 81 HD12 -0.0016 -0.0052 0.0051 6254 LEU 81 HD13 -0.0010 -0.0054 0.0064 6255 LEU 81 HD21 -0.0000 -0.0044 0.0063 6256 LEU 81 HD22 -0.0008 -0.0044 0.0050 6257 LEU 81 HD23 0.0003 -0.0035 0.0052 6258 LYS 82 N 0.0024 -0.0024 0.0065 6259 LYS 82 CA 0.0031 -0.0022 0.0072 6260 LYS 82 C 0.0040 -0.0014 0.0073 6261 LYS 82 O 0.0046 -0.0013 0.0081 6262 LYS 82 CB 0.0031 -0.0020 0.0068 6263 LYS 82 CG 0.0036 -0.0019 0.0075 6264 LYS 82 CD 0.0037 -0.0015 0.0070 6265 LYS 82 CE 0.0029 -0.0020 0.0065 6266 LYS 82 NZ 0.0030 -0.0016 0.0060 6267 LYS 82 H 0.0019 -0.0025 0.0059 6268 LYS 82 HA 0.0030 -0.0026 0.0079 6269 LYS 82 HB2 0.0024 -0.0024 0.0065 6270 LYS 82 HB3 0.0033 -0.0014 0.0061 6271 LYS 82 HG2 0.0043 -0.0015 0.0079 6272 LYS 82 HG3 0.0033 -0.0025 0.0081 6273 LYS 82 HD2 0.0040 -0.0009 0.0063 6274 LYS 82 HD3 0.0042 -0.0013 0.0075 6275 LYS 82 HE2 0.0026 -0.0026 0.0071 6276 LYS 82 HE3 0.0024 -0.0021 0.0060 6277 LYS 82 HZ1 0.0034 -0.0016 0.0066 6278 LYS 82 HZ2 0.0033 -0.0010 0.0055 6279 LYS 82 HZ3 0.0024 -0.0019 0.0056 6280 SER 83 N 0.0041 -0.0009 0.0064 6281 SER 83 CA 0.0049 -0.0001 0.0063 6282 SER 83 C 0.0052 -0.0003 0.0071 6283 SER 83 O 0.0059 0.0001 0.0077 6284 SER 83 CB 0.0047 0.0004 0.0052 6285 SER 83 OG 0.0055 0.0012 0.0052 6286 SER 83 H 0.0035 -0.0009 0.0058 6287 SER 83 HA 0.0054 0.0002 0.0065 6288 SER 83 HB2 0.0045 0.0005 0.0047 6289 SER 83 HB3 0.0042 0.0001 0.0051 6290 SER 83 HG 0.0054 0.0012 0.0050 6291 GLY 84 N 0.0045 -0.0009 0.0072 6292 GLY 84 CA 0.0048 -0.0011 0.0079 6293 GLY 84 C 0.0043 -0.0012 0.0074 6294 GLY 84 O 0.0035 -0.0017 0.0071 6295 GLY 84 H 0.0039 -0.0011 0.0067 6296 GLY 84 HA2 0.0046 -0.0016 0.0085 6297 GLY 84 HA3 0.0055 -0.0006 0.0082 6298 ASN 85 N 0.0056 -0.0029 0.0079 6299 ASN 85 CA 0.0053 -0.0027 0.0074 6300 ASN 85 C 0.0053 -0.0020 0.0063 6301 ASN 85 O 0.0052 -0.0017 0.0058 6302 ASN 85 CB 0.0060 -0.0026 0.0081 6303 ASN 85 CG 0.0072 -0.0019 0.0083 6304 ASN 85 OD1 0.0076 -0.0012 0.0077 6305 ASN 85 ND2 0.0076 -0.0022 0.0091 6306 ASN 85 H 0.0063 -0.0025 0.0081 6307 ASN 85 HA 0.0045 -0.0033 0.0074 6308 ASN 85 HB2 0.0059 -0.0024 0.0076 6309 ASN 85 HB3 0.0059 -0.0032 0.0088 6310 ASN 85 HD21 0.0072 -0.0028 0.0096 6311 ASN 85 HD22 0.0084 -0.0018 0.0093 6312 LYS 86 N 0.0054 -0.0016 0.0059 6313 LYS 86 CA 0.0054 -0.0009 0.0049 6314 LYS 86 C 0.0051 -0.0008 0.0045 6315 LYS 86 O 0.0051 -0.0013 0.0052 6316 LYS 86 CB 0.0064 -0.0000 0.0048 6317 LYS 86 CG 0.0073 0.0001 0.0056 6318 LYS 86 CD 0.0082 0.0010 0.0052 6319 LYS 86 CE 0.0091 0.0011 0.0060 6320 LYS 86 NZ 0.0087 0.0007 0.0063 6321 LYS 86 H 0.0055 -0.0019 0.0064 6322 LYS 86 HA 0.0048 -0.0009 0.0043 6323 LYS 86 HB2 0.0064 0.0005 0.0040 6324 LYS 86 HB3 0.0065 0.0000 0.0048 6325 LYS 86 HG2 0.0076 -0.0002 0.0063 6326 LYS 86 HG3 0.0071 -0.0002 0.0058 6327 LYS 86 HD2 0.0079 0.0014 0.0045 6328 LYS 86 HD3 0.0085 0.0014 0.0051 6329 LYS 86 HE2 0.0097 0.0018 0.0057 6330 LYS 86 HE3 0.0094 0.0009 0.0067 6331 LYS 86 HZ1 0.0082 0.0000 0.0066 6332 LYS 86 HZ2 0.0093 0.0008 0.0068 6333 LYS 86 HZ3 0.0084 0.0009 0.0056 6334 VAL 87 N 0.0050 -0.0002 0.0036 6335 VAL 87 CA 0.0047 -0.0001 0.0032 6336 VAL 87 C 0.0048 0.0008 0.0021 6337 VAL 87 O 0.0046 0.0011 0.0014 6338 VAL 87 CB 0.0036 -0.0009 0.0031 6339 VAL 87 CG1 0.0028 -0.0009 0.0023 6340 VAL 87 CG2 0.0035 -0.0009 0.0029 6341 VAL 87 H 0.0050 0.0002 0.0031 6342 VAL 87 HA 0.0053 -0.0001 0.0037 6343 VAL 87 HB 0.0036 -0.0015 0.0038 6344 VAL 87 HG11 0.0029 -0.0010 0.0025 6345 VAL 87 HG12 0.0021 -0.0014 0.0022 6346 VAL 87 HG13 0.0029 -0.0003 0.0015 6347 VAL 87 HG21 0.0039 -0.0010 0.0036 6348 VAL 87 HG22 0.0037 -0.0002 0.0023 6349 VAL 87 HG23 0.0027 -0.0014 0.0027 6350 ALA 88 N 0.0052 0.0011 0.0019 6351 ALA 88 CA 0.0053 0.0019 0.0009 6352 ALA 88 C 0.0043 0.0017 0.0002 6353 ALA 88 O 0.0042 0.0015 0.0003 6354 ALA 88 CB 0.0062 0.0025 0.0012 6355 ALA 88 H 0.0054 0.0008 0.0025 6356 ALA 88 HA 0.0055 0.0023 0.0006 6357 ALA 88 HB1 0.0061 0.0021 0.0016 6358 ALA 88 HB2 0.0069 0.0026 0.0017 6359 ALA 88 HB3 0.0063 0.0031 0.0004 6360 ILE 89 N 0.0037 0.0018 -0.0005 6361 ILE 89 CA 0.0027 0.0016 -0.0013 6362 ILE 89 C 0.0029 0.0024 -0.0023 6363 ILE 89 O 0.0031 0.0030 -0.0029 6364 ILE 89 CB 0.0019 0.0011 -0.0016 6365 ILE 89 CG1 0.0009 0.0010 -0.0024 6366 ILE 89 CG2 0.0022 0.0017 -0.0020 6367 ILE 89 CD1 -0.0001 0.0002 -0.0025 6368 ILE 89 H 0.0039 0.0019 -0.0006 6369 ILE 89 HA 0.0025 0.0011 -0.0009 6370 ILE 89 HB 0.0017 0.0005 -0.0009 6371 ILE 89 HG12 0.0009 0.0016 -0.0032 6372 ILE 89 HG13 0.0008 0.0008 -0.0022 6373 ILE 89 HG21 0.0028 0.0018 -0.0015 6374 ILE 89 HG22 0.0015 0.0013 -0.0022 6375 ILE 89 HG23 0.0023 0.0023 -0.0027 6376 ILE 89 HD11 -0.0007 0.0003 -0.0032 6377 ILE 89 HD12 0.0000 0.0003 -0.0024 6378 ILE 89 HD13 -0.0003 -0.0004 -0.0018 6379 SER 90 N 0.0029 0.0025 -0.0024 6380 SER 90 CA 0.0031 0.0033 -0.0033 6381 SER 90 C 0.0021 0.0032 -0.0043 6382 SER 90 O 0.0014 0.0027 -0.0043 6383 SER 90 CB 0.0035 0.0034 -0.0030 6384 SER 90 OG 0.0044 0.0043 -0.0033 6385 SER 90 H 0.0027 0.0020 -0.0019 6386 SER 90 HA 0.0036 0.0038 -0.0035 6387 SER 90 HB2 0.0038 0.0030 -0.0021 6388 SER 90 HB3 0.0029 0.0032 -0.0033 6389 SER 90 HG 0.0046 0.0046 -0.0036 6390 THR 91 N -0.0005 0.0021 -0.0057 6391 THR 91 CA 0.0006 0.0023 -0.0042 6392 THR 91 C -0.0002 0.0014 -0.0028 6393 THR 91 O -0.0016 0.0005 -0.0029 6394 THR 91 CB 0.0016 0.0027 -0.0036 6395 THR 91 OG1 0.0005 0.0020 -0.0032 6396 THR 91 CG2 0.0025 0.0037 -0.0049 6397 THR 91 H -0.0011 0.0017 -0.0057 6398 THR 91 HA 0.0014 0.0029 -0.0046 6399 THR 91 HB 0.0023 0.0028 -0.0024 6400 THR 91 HG1 0.0007 0.0017 -0.0020 6401 THR 91 HG21 0.0018 0.0036 -0.0061 6402 THR 91 HG22 0.0033 0.0043 -0.0052 6403 THR 91 HG23 0.0032 0.0040 -0.0044 6404 THR 92 N 0.0007 0.0015 -0.0014 6405 THR 92 CA 0.0001 0.0007 0.0001 6406 THR 92 C 0.0002 0.0003 0.0017 6407 THR 92 O 0.0014 0.0008 0.0027 6408 THR 92 CB 0.0008 0.0010 0.0006 6409 THR 92 OG1 0.0002 0.0002 0.0021 6410 THR 92 CG2 0.0025 0.0020 0.0010 6411 THR 92 H 0.0019 0.0022 -0.0012 6412 THR 92 HA -0.0011 0.0001 -0.0004 6413 THR 92 HB 0.0005 0.0011 -0.0005 6414 THR 92 HG1 0.0004 0.0000 0.0030 6415 THR 92 HG21 0.0029 0.0019 0.0020 6416 THR 92 HG22 0.0030 0.0026 -0.0002 6417 THR 92 HG23 0.0030 0.0022 0.0013 6418 PRO 93 N -0.0011 -0.0006 0.0019 6419 PRO 93 CA -0.0011 -0.0010 0.0034 6420 PRO 93 C -0.0005 -0.0012 0.0051 6421 PRO 93 O -0.0004 -0.0011 0.0053 6422 PRO 93 CB -0.0028 -0.0021 0.0033 6423 PRO 93 CG -0.0034 -0.0019 0.0014 6424 PRO 93 CD -0.0025 -0.0011 0.0007 6425 PRO 93 HA -0.0004 -0.0006 0.0033 6426 PRO 93 HB2 -0.0033 -0.0026 0.0041 6427 PRO 93 HB3 -0.0029 -0.0023 0.0038 6428 PRO 93 HG2 -0.0046 -0.0026 0.0013 6429 PRO 93 HG3 -0.0032 -0.0016 0.0008 6430 PRO 93 HD2 -0.0031 -0.0015 0.0007 6431 PRO 93 HD3 -0.0023 -0.0006 -0.0006 6432 LEU 94 N -0.0003 -0.0014 0.0065 6433 LEU 94 CA 0.0003 -0.0016 0.0083 6434 LEU 94 C -0.0009 -0.0026 0.0089 6435 LEU 94 O -0.0023 -0.0032 0.0082 6436 LEU 94 CB 0.0006 -0.0018 0.0095 6437 LEU 94 CG 0.0003 -0.0017 0.0087 6438 LEU 94 CD1 -0.0014 -0.0027 0.0085 6439 LEU 94 CD2 0.0012 -0.0015 0.0099 6440 LEU 94 H -0.0004 -0.0015 0.0063 6441 LEU 94 HA 0.0013 -0.0010 0.0082 6442 LEU 94 HB2 -0.0000 -0.0025 0.0106 6443 LEU 94 HB3 0.0018 -0.0012 0.0100 6444 LEU 94 HG 0.0007 -0.0011 0.0075 6445 LEU 94 HD11 -0.0020 -0.0027 0.0073 6446 LEU 94 HD12 -0.0016 -0.0029 0.0085 6447 LEU 94 HD13 -0.0019 -0.0034 0.0095 6448 LEU 94 HD21 0.0024 -0.0008 0.0099 6449 LEU 94 HD22 0.0008 -0.0021 0.0112 6450 LEU 94 HD23 0.0009 -0.0015 0.0093 6451 GLU 95 N -0.0004 -0.0026 0.0102 6452 GLU 95 CA -0.0015 -0.0035 0.0109 6453 GLU 95 C -0.0007 -0.0036 0.0127 6454 GLU 95 O 0.0006 -0.0029 0.0133 6455 GLU 95 CB -0.0018 -0.0034 0.0097 6456 GLU 95 CG -0.0006 -0.0026 0.0098 6457 GLU 95 CD 0.0008 -0.0015 0.0090 6458 GLU 95 OE1 0.0008 -0.0010 0.0074 6459 GLU 95 OE2 0.0019 -0.0011 0.0100 6460 GLU 95 H 0.0007 -0.0021 0.0107 6461 GLU 95 HA -0.0025 -0.0042 0.0110 6462 GLU 95 HB2 -0.0029 -0.0041 0.0100 6463 GLU 95 HB3 -0.0021 -0.0031 0.0084 6464 GLU 95 HG2 -0.0002 -0.0028 0.0112 6465 GLU 95 HG3 -0.0010 -0.0027 0.0091 6466 ASN 96 N -0.0017 -0.0044 0.0137 6467 ASN 96 CA -0.0011 -0.0046 0.0154 6468 ASN 96 C -0.0003 -0.0041 0.0154 6469 ASN 96 O -0.0003 -0.0037 0.0140 6470 ASN 96 CB -0.0025 -0.0058 0.0164 6471 ASN 96 CG -0.0037 -0.0063 0.0155 6472 ASN 96 OD1 -0.0036 -0.0063 0.0156 6473 ASN 96 ND2 -0.0049 -0.0067 0.0145 6474 ASN 96 OXT 0.0005 -0.0040 0.0168 6475 ASN 96 H -0.0027 -0.0050 0.0132 6476 ASN 96 HA -0.0004 -0.0043 0.0161 6477 ASN 96 HB2 -0.0021 -0.0059 0.0177 6478 ASN 96 HB3 -0.0030 -0.0062 0.0166 6479 ASN 96 HD21 -0.0049 -0.0067 0.0144 6480 ASN 96 HD22 -0.0057 -0.0071 0.0139 6481 SER 101 N 0.0030 -0.0064 0.0146 6482 SER 101 CA 0.0016 -0.0063 0.0138 6483 SER 101 C 0.0034 -0.0057 0.0136 6484 SER 101 O 0.0053 -0.0058 0.0149 6485 SER 101 CB -0.0002 -0.0077 0.0154 6486 SER 101 OG -0.0008 -0.0086 0.0166 6487 SER 101 H1 0.0041 -0.0068 0.0161 6488 SER 101 H2 0.0040 -0.0054 0.0134 6489 SER 101 H3 0.0017 -0.0069 0.0149 6490 SER 101 HA 0.0006 -0.0057 0.0121 6491 SER 101 HB2 0.0006 -0.0081 0.0165 6492 SER 101 HB3 -0.0018 -0.0077 0.0144 6493 SER 101 HG -0.0025 -0.0089 0.0162 6494 TRP 102 N 0.0027 -0.0050 0.0119 6495 TRP 102 CA 0.0042 -0.0043 0.0115 6496 TRP 102 C 0.0065 -0.0031 0.0105 6497 TRP 102 O 0.0074 -0.0030 0.0109 6498 TRP 102 CB 0.0048 -0.0052 0.0136 6499 TRP 102 CG 0.0064 -0.0046 0.0133 6500 TRP 102 CD1 0.0088 -0.0041 0.0137 6501 TRP 102 CD2 0.0055 -0.0045 0.0125 6502 TRP 102 NE1 0.0096 -0.0036 0.0132 6503 TRP 102 CE2 0.0076 -0.0038 0.0125 6504 TRP 102 CE3 0.0032 -0.0048 0.0119 6505 TRP 102 CZ2 0.0074 -0.0035 0.0119 6506 TRP 102 CZ3 0.0031 -0.0045 0.0112 6507 TRP 102 CH2 0.0051 -0.0039 0.0112 6508 TRP 102 H 0.0012 -0.0049 0.0109 6509 TRP 102 HA 0.0031 -0.0040 0.0103 6510 TRP 102 HB2 0.0032 -0.0060 0.0142 6511 TRP 102 HB3 0.0058 -0.0056 0.0149 6512 TRP 102 HD1 0.0100 -0.0041 0.0143 6513 TRP 102 HE1 0.0113 -0.0032 0.0134 6514 TRP 102 HE3 0.0016 -0.0053 0.0119 6515 TRP 102 HZ2 0.0090 -0.0030 0.0118 6516 TRP 102 HZ3 0.0013 -0.0047 0.0107 6517 TRP 102 HH2 0.0049 -0.0036 0.0107 6518 GLU 103 N 0.0073 -0.0021 0.0091 6519 GLU 103 CA 0.0095 -0.0009 0.0081 6520 GLU 103 C 0.0105 -0.0002 0.0074 6521 GLU 103 O 0.0093 -0.0006 0.0075 6522 GLU 103 CB 0.0089 0.0001 0.0061 6523 GLU 103 CG 0.0106 0.0006 0.0061 6524 GLU 103 CD 0.0131 0.0016 0.0055 6525 GLU 103 OE1 0.0146 0.0013 0.0070 6526 GLU 103 OE2 0.0136 0.0028 0.0037 6527 GLU 103 H 0.0064 -0.0022 0.0089 6528 GLU 103 HA 0.0108 -0.0011 0.0093 6529 GLU 103 HB2 0.0071 -0.0004 0.0060 6530 GLU 103 HB3 0.0090 0.0009 0.0046 6531 GLU 103 HG2 0.0108 -0.0002 0.0077 6532 GLU 103 HG3 0.0098 0.0010 0.0049 6533 SER 104 N 0.0126 0.0009 0.0067 6534 SER 104 CA 0.0138 0.0016 0.0059 6535 SER 104 C 0.0125 0.0024 0.0037 6536 SER 104 O 0.0109 0.0025 0.0026 6537 SER 104 CB 0.0164 0.0026 0.0057 6538 SER 104 OG 0.0166 0.0031 0.0047 6539 SER 104 H 0.0134 0.0011 0.0066 6540 SER 104 HA 0.0138 0.0009 0.0072 6541 SER 104 HB2 0.0171 0.0033 0.0047 6542 SER 104 HB3 0.0175 0.0020 0.0073 6543 SER 104 HG 0.0162 0.0025 0.0058 6544 HIS 105 N 0.0131 0.0030 0.0031 6545 HIS 105 CA 0.0120 0.0037 0.0010 6546 HIS 105 C 0.0128 0.0051 -0.0009 6547 HIS 105 O 0.0150 0.0058 -0.0011 6548 HIS 105 CB 0.0126 0.0039 0.0010 6549 HIS 105 CG 0.0104 0.0036 0.0003 6550 HIS 105 ND1 0.0095 0.0025 0.0019 6551 HIS 105 CD2 0.0090 0.0043 -0.0017 6552 HIS 105 CE1 0.0076 0.0025 0.0008 6553 HIS 105 NE2 0.0072 0.0036 -0.0014 6554 HIS 105 H 0.0144 0.0028 0.0040 6555 HIS 105 HA 0.0101 0.0032 0.0010 6556 HIS 105 HB2 0.0134 0.0033 0.0026 6557 HIS 105 HB3 0.0138 0.0050 -0.0002 6558 HIS 105 HD2 0.0093 0.0052 -0.0032 6559 HIS 105 HE1 0.0064 0.0018 0.0015 6560 HIS 105 HE2 0.0063 0.0040 -0.0026 6561 LYS 106 N 0.0111 0.0053 -0.0024 6562 LYS 106 CA 0.0116 0.0065 -0.0044 6563 LYS 106 C 0.0104 0.0073 -0.0065 6564 LYS 106 O 0.0100 0.0072 -0.0064 6565 LYS 106 CB 0.0106 0.0062 -0.0043 6566 LYS 106 CG 0.0126 0.0066 -0.0040 6567 LYS 106 CD 0.0138 0.0057 -0.0016 6568 LYS 106 CE 0.0157 0.0061 -0.0013 6569 LYS 106 NZ 0.0167 0.0051 0.0011 6570 LYS 106 H 0.0094 0.0047 -0.0021 6571 LYS 106 HA 0.0135 0.0071 -0.0044 6572 LYS 106 HB2 0.0095 0.0052 -0.0030 6573 LYS 106 HB3 0.0095 0.0067 -0.0059 6574 LYS 106 HG2 0.0117 0.0066 -0.0044 6575 LYS 106 HG3 0.0139 0.0076 -0.0051 6576 LYS 106 HD2 0.0146 0.0057 -0.0012 6577 LYS 106 HD3 0.0124 0.0047 -0.0005 6578 LYS 106 HE2 0.0148 0.0062 -0.0019 6579 LYS 106 HE3 0.0171 0.0071 -0.0022 6580 LYS 106 HZ1 0.0154 0.0042 0.0020 6581 LYS 106 HZ2 0.0174 0.0050 0.0018 6582 LYS 106 HZ3 0.0182 0.0055 0.0012 6583 SER 107 N 0.0055 0.0043 -0.0013 6584 SER 107 CA 0.0048 0.0050 -0.0009 6585 SER 107 C 0.0042 0.0048 -0.0008 6586 SER 107 O 0.0045 0.0045 -0.0010 6587 SER 107 CB 0.0054 0.0060 -0.0007 6588 SER 107 OG 0.0063 0.0061 -0.0008 6589 SER 107 H 0.0062 0.0045 -0.0014 6590 SER 107 HA 0.0044 0.0051 -0.0008 6591 SER 107 HB2 0.0057 0.0060 -0.0007 6592 SER 107 HB3 0.0050 0.0066 -0.0004 6593 SER 107 HG 0.0068 0.0063 -0.0009 6594 GLY 108 N 0.0032 0.0049 -0.0006 6595 GLY 108 CA 0.0025 0.0046 -0.0005 6596 GLY 108 C 0.0016 0.0040 -0.0005 6597 GLY 108 O 0.0008 0.0042 -0.0003 6598 GLY 108 H 0.0030 0.0051 -0.0005 6599 GLY 108 HA2 0.0023 0.0053 -0.0002 6600 GLY 108 HA3 0.0028 0.0042 -0.0007 6601 GLY 109 N 0.0018 0.0034 -0.0008 6602 GLY 109 CA 0.0010 0.0027 -0.0008 6603 GLY 109 C 0.0006 0.0020 -0.0010 6604 GLY 109 O 0.0012 0.0016 -0.0012 6605 GLY 109 H 0.0025 0.0033 -0.0010 6606 GLY 109 HA2 0.0012 0.0024 -0.0010 6607 GLY 109 HA3 0.0004 0.0032 -0.0005 6608 GLU 110 N -0.0003 0.0017 -0.0009 6609 GLU 110 CA -0.0008 0.0009 -0.0011 6610 GLU 110 C -0.0018 0.0011 -0.0008 6611 GLU 110 O -0.0025 0.0011 -0.0006 6612 GLU 110 CB -0.0008 -0.0001 -0.0014 6613 GLU 110 CG -0.0001 -0.0007 -0.0018 6614 GLU 110 CD -0.0004 -0.0012 -0.0019 6615 GLU 110 OE1 -0.0009 -0.0020 -0.0020 6616 GLU 110 OE2 -0.0000 -0.0008 -0.0018 6617 GLU 110 H -0.0007 0.0020 -0.0007 6618 GLU 110 HA -0.0004 0.0009 -0.0012 6619 GLU 110 HB2 -0.0007 0.0001 -0.0014 6620 GLU 110 HB3 -0.0015 -0.0004 -0.0013 6621 GLU 110 HG2 0.0006 -0.0003 -0.0018 6622 GLU 110 HG3 0.0000 -0.0013 -0.0020 6623 THR 111 N -0.0020 0.0013 -0.0007 6624 THR 111 CA -0.0030 0.0016 -0.0004 6625 THR 111 C -0.0032 0.0010 -0.0005 6626 THR 111 O -0.0030 0.0013 -0.0004 6627 THR 111 CB -0.0030 0.0027 -0.0000 6628 THR 111 OG1 -0.0026 0.0032 0.0001 6629 THR 111 CG2 -0.0040 0.0029 0.0003 6630 THR 111 H -0.0015 0.0013 -0.0008 6631 THR 111 HA -0.0035 0.0014 -0.0003 6632 THR 111 HB -0.0025 0.0028 -0.0000 6633 THR 111 HG1 -0.0024 0.0028 -0.0001 6634 THR 111 HG21 -0.0040 0.0037 0.0006 6635 THR 111 HG22 -0.0045 0.0028 0.0004 6636 THR 111 HG23 -0.0043 0.0025 0.0002 6637 ARG 112 N -0.0037 0.0002 -0.0007 6638 ARG 112 CA -0.0040 -0.0005 -0.0008 6639 ARG 112 C -0.0050 -0.0002 -0.0005 6640 ARG 112 O -0.0056 0.0002 -0.0003 6641 ARG 112 CB -0.0040 -0.0015 -0.0012 6642 ARG 112 CG -0.0051 -0.0019 -0.0011 6643 ARG 112 CD -0.0054 -0.0026 -0.0012 6644 ARG 112 NE -0.0061 -0.0034 -0.0014 6645 ARG 112 CZ -0.0069 -0.0038 -0.0013 6646 ARG 112 NH1 -0.0070 -0.0034 -0.0012 6647 ARG 112 NH2 -0.0074 -0.0045 -0.0015 6648 ARG 112 H -0.0039 -0.0000 -0.0007 6649 ARG 112 HA -0.0034 -0.0004 -0.0009 6650 ARG 112 HB2 -0.0037 -0.0019 -0.0014 6651 ARG 112 HB3 -0.0036 -0.0015 -0.0013 6652 ARG 112 HG2 -0.0051 -0.0024 -0.0012 6653 ARG 112 HG3 -0.0056 -0.0014 -0.0008 6654 ARG 112 HD2 -0.0058 -0.0022 -0.0010 6655 ARG 112 HD3 -0.0048 -0.0029 -0.0015 6656 ARG 112 HE -0.0060 -0.0036 -0.0015 6657 ARG 112 HH11 -0.0066 -0.0029 -0.0011 6658 ARG 112 HH12 -0.0076 -0.0037 -0.0012 6659 ARG 112 HH21 -0.0073 -0.0048 -0.0016 6660 ARG 112 HH22 -0.0080 -0.0048 -0.0014 6661 LEU 113 N -0.0050 -0.0020 -0.0002 6662 LEU 113 CA -0.0048 -0.0020 0.0002 6663 LEU 113 C -0.0045 -0.0019 -0.0006 6664 LEU 113 O -0.0038 -0.0018 -0.0005 6665 LEU 113 CB -0.0040 -0.0018 0.0010 6666 LEU 113 CG -0.0032 -0.0016 0.0010 6667 LEU 113 CD1 -0.0026 -0.0016 -0.0000 6668 LEU 113 CD2 -0.0025 -0.0015 0.0019 6669 LEU 113 OXT -0.0049 -0.0021 -0.0015 6670 LEU 113 H -0.0045 -0.0020 -0.0006 6671 LEU 113 HA -0.0055 -0.0021 0.0005 6672 LEU 113 HB2 -0.0036 -0.0017 0.0010 6673 LEU 113 HB3 -0.0044 -0.0018 0.0018 6674 LEU 113 HG -0.0036 -0.0017 0.0010 6675 LEU 113 HD11 -0.0032 -0.0017 -0.0006 6676 LEU 113 HD12 -0.0021 -0.0015 -0.0000 6677 LEU 113 HD13 -0.0023 -0.0015 -0.0001 6678 LEU 113 HD21 -0.0021 -0.0014 0.0018 6679 LEU 113 HD22 -0.0020 -0.0014 0.0019 6680 LEU 113 HD23 -0.0029 -0.0015 0.0026 6681 GLY 1 N -0.0039 0.0044 0.0087 6682 GLY 1 CA -0.0024 0.0044 0.0079 6683 GLY 1 C -0.0045 0.0045 0.0084 6684 GLY 1 O -0.0047 0.0042 0.0109 6685 GLY 1 H1 -0.0050 0.0042 0.0109 6686 GLY 1 H2 -0.0023 0.0043 0.0087 6687 GLY 1 H3 -0.0057 0.0047 0.0071 6688 GLY 1 HA2 -0.0003 0.0041 0.0094 6689 GLY 1 HA3 -0.0016 0.0046 0.0055 6690 GLY 2 N -0.0062 0.0049 0.0059 6691 GLY 2 CA -0.0084 0.0050 0.0061 6692 GLY 2 C -0.0092 0.0054 0.0029 6693 GLY 2 O -0.0083 0.0056 0.0005 6694 GLY 2 H -0.0060 0.0051 0.0040 6695 GLY 2 HA2 -0.0105 0.0050 0.0073 6696 GLY 2 HA3 -0.0073 0.0048 0.0075 6697 SER 3 N -0.0109 0.0056 0.0028 6698 SER 3 CA -0.0118 0.0060 -0.0001 6699 SER 3 C -0.0120 0.0059 0.0002 6700 SER 3 O -0.0119 0.0056 0.0028 6701 SER 3 CB -0.0149 0.0063 -0.0013 6702 SER 3 OG -0.0147 0.0064 -0.0017 6703 SER 3 H -0.0116 0.0054 0.0048 6704 SER 3 HA -0.0100 0.0060 -0.0019 6705 SER 3 HB2 -0.0167 0.0062 0.0005 6706 SER 3 HB3 -0.0156 0.0066 -0.0034 6707 SER 3 HG -0.0128 0.0061 -0.0008 6708 MET 4 N -0.0124 0.0063 -0.0024 6709 MET 4 CA -0.0126 0.0063 -0.0024 6710 MET 4 C -0.0097 0.0059 -0.0011 6711 MET 4 O -0.0097 0.0056 0.0016 6712 MET 4 CB -0.0156 0.0063 -0.0007 6713 MET 4 CG -0.0183 0.0067 -0.0028 6714 MET 4 SD -0.0218 0.0067 -0.0007 6715 MET 4 CE -0.0201 0.0063 0.0015 6716 MET 4 H -0.0124 0.0065 -0.0044 6717 MET 4 HA -0.0128 0.0066 -0.0049 6718 MET 4 HB2 -0.0164 0.0062 0.0009 6719 MET 4 HB3 -0.0150 0.0061 0.0007 6720 MET 4 HG2 -0.0176 0.0069 -0.0044 6721 MET 4 HG3 -0.0190 0.0069 -0.0041 6722 MET 4 HE1 -0.0188 0.0064 -0.0001 6723 MET 4 HE2 -0.0185 0.0060 0.0032 6724 MET 4 HE3 -0.0219 0.0063 0.0027 6725 ARG 5 N -0.0072 0.0060 -0.0029 6726 ARG 5 CA -0.0043 0.0057 -0.0019 6727 ARG 5 C -0.0047 0.0057 -0.0019 6728 ARG 5 O -0.0061 0.0060 -0.0041 6729 ARG 5 CB -0.0015 0.0057 -0.0041 6730 ARG 5 CG -0.0006 0.0056 -0.0038 6731 ARG 5 CD -0.0026 0.0060 -0.0059 6732 ARG 5 NE -0.0017 0.0059 -0.0058 6733 ARG 5 CZ -0.0033 0.0062 -0.0072 6734 ARG 5 NH1 -0.0058 0.0066 -0.0089 6735 ARG 5 NH2 -0.0023 0.0061 -0.0070 6736 ARG 5 H -0.0073 0.0062 -0.0051 6737 ARG 5 HA -0.0038 0.0054 0.0004 6738 ARG 5 HB2 -0.0022 0.0061 -0.0065 6739 ARG 5 HB3 0.0005 0.0055 -0.0035 6740 ARG 5 HG2 0.0018 0.0056 -0.0045 6741 ARG 5 HG3 -0.0009 0.0054 -0.0014 6742 ARG 5 HD2 -0.0050 0.0061 -0.0052 6743 ARG 5 HD3 -0.0024 0.0063 -0.0083 6744 ARG 5 HE 0.0002 0.0057 -0.0046 6745 ARG 5 HH11 -0.0066 0.0067 -0.0091 6746 ARG 5 HH12 -0.0070 0.0068 -0.0099 6747 ARG 5 HH21 -0.0004 0.0058 -0.0057 6748 ARG 5 HH22 -0.0035 0.0063 -0.0081 6749 PRO 6 N -0.0036 0.0053 0.0005 6750 PRO 6 CA -0.0039 0.0053 0.0008 6751 PRO 6 C -0.0012 0.0053 -0.0007 6752 PRO 6 O 0.0015 0.0050 0.0005 6753 PRO 6 CB -0.0039 0.0049 0.0044 6754 PRO 6 CG -0.0033 0.0047 0.0058 6755 PRO 6 CD -0.0019 0.0049 0.0033 6756 PRO 6 HA -0.0061 0.0056 -0.0001 6757 PRO 6 HB2 -0.0020 0.0047 0.0050 6758 PRO 6 HB3 -0.0061 0.0050 0.0052 6759 PRO 6 HG2 -0.0016 0.0043 0.0077 6760 PRO 6 HG3 -0.0054 0.0047 0.0067 6761 PRO 6 HD2 0.0006 0.0047 0.0030 6762 PRO 6 HD3 -0.0024 0.0049 0.0037 6763 PRO 7 N 0.0072 0.0038 -0.0037 6764 PRO 7 CA 0.0065 0.0031 -0.0029 6765 PRO 7 C 0.0065 0.0033 -0.0031 6766 PRO 7 O 0.0076 0.0036 -0.0031 6767 PRO 7 CB 0.0072 0.0026 -0.0015 6768 PRO 7 CG 0.0081 0.0030 -0.0017 6769 PRO 7 CD 0.0084 0.0038 -0.0030 6770 PRO 7 HA 0.0054 0.0028 -0.0029 6771 PRO 7 HB2 0.0078 0.0027 -0.0012 6772 PRO 7 HB3 0.0065 0.0021 -0.0009 6773 PRO 7 HG2 0.0090 0.0029 -0.0010 6774 PRO 7 HG3 0.0075 0.0027 -0.0015 6775 PRO 7 HD2 0.0093 0.0041 -0.0030 6776 PRO 7 HD3 0.0085 0.0040 -0.0033 6777 ILE 8 N 0.0053 0.0030 -0.0034 6778 ILE 8 CA 0.0052 0.0031 -0.0036 6779 ILE 8 C 0.0052 0.0024 -0.0024 6780 ILE 8 O 0.0043 0.0018 -0.0017 6781 ILE 8 CB 0.0039 0.0031 -0.0045 6782 ILE 8 CG1 0.0036 0.0036 -0.0055 6783 ILE 8 CG2 0.0041 0.0036 -0.0052 6784 ILE 8 CD1 0.0021 0.0032 -0.0058 6785 ILE 8 H 0.0045 0.0028 -0.0034 6786 ILE 8 HA 0.0061 0.0036 -0.0040 6787 ILE 8 HB 0.0031 0.0026 -0.0040 6788 ILE 8 HG12 0.0040 0.0041 -0.0063 6789 ILE 8 HG13 0.0042 0.0035 -0.0051 6790 ILE 8 HG21 0.0047 0.0042 -0.0059 6791 ILE 8 HG22 0.0046 0.0034 -0.0046 6792 ILE 8 HG23 0.0031 0.0035 -0.0056 6793 ILE 8 HD11 0.0020 0.0036 -0.0066 6794 ILE 8 HD12 0.0016 0.0031 -0.0060 6795 ILE 8 HD13 0.0018 0.0027 -0.0050 6796 ILE 9 N 0.0063 0.0026 -0.0020 6797 ILE 9 CA 0.0064 0.0020 -0.0008 6798 ILE 9 C 0.0056 0.0018 -0.0009 6799 ILE 9 O 0.0059 0.0022 -0.0014 6800 ILE 9 CB 0.0079 0.0022 -0.0003 6801 ILE 9 CG1 0.0089 0.0027 -0.0006 6802 ILE 9 CG2 0.0081 0.0015 0.0011 6803 ILE 9 CD1 0.0090 0.0023 0.0002 6804 ILE 9 H 0.0070 0.0031 -0.0025 6805 ILE 9 HA 0.0061 0.0015 -0.0001 6806 ILE 9 HB 0.0081 0.0025 -0.0008 6807 ILE 9 HG12 0.0087 0.0032 -0.0016 6808 ILE 9 HG13 0.0099 0.0030 -0.0005 6809 ILE 9 HG21 0.0075 0.0012 0.0013 6810 ILE 9 HG22 0.0092 0.0017 0.0014 6811 ILE 9 HG23 0.0078 0.0012 0.0016 6812 ILE 9 HD11 0.0098 0.0027 -0.0001 6813 ILE 9 HD12 0.0080 0.0021 -0.0001 6814 ILE 9 HD13 0.0091 0.0019 0.0011 6815 ILE 10 N 0.0044 0.0011 -0.0004 6816 ILE 10 CA 0.0035 0.0008 -0.0004 6817 ILE 10 C 0.0041 0.0005 0.0007 6818 ILE 10 O 0.0050 0.0003 0.0015 6819 ILE 10 CB 0.0020 0.0002 -0.0002 6820 ILE 10 CG1 0.0014 0.0005 -0.0012 6821 ILE 10 CG2 0.0012 0.0000 -0.0004 6822 ILE 10 CD1 0.0005 -0.0001 -0.0006 6823 ILE 10 H 0.0041 0.0008 -0.0001 6824 ILE 10 HA 0.0035 0.0013 -0.0013 6825 ILE 10 HB 0.0020 -0.0003 0.0007 6826 ILE 10 HG12 0.0007 0.0007 -0.0019 6827 ILE 10 HG13 0.0021 0.0010 -0.0016 6828 ILE 10 HG21 0.0001 -0.0002 -0.0006 6829 ILE 10 HG22 0.0014 0.0005 -0.0011 6830 ILE 10 HG23 0.0013 -0.0004 0.0005 6831 ILE 10 HD11 0.0011 -0.0004 0.0003 6832 ILE 10 HD12 0.0003 0.0002 -0.0012 6833 ILE 10 HD13 -0.0004 -0.0005 -0.0004 6834 HIS 11 N 0.0037 0.0003 0.0007 6835 HIS 11 CA 0.0043 -0.0000 0.0017 6836 HIS 11 C 0.0031 -0.0006 0.0019 6837 HIS 11 O 0.0025 -0.0003 0.0011 6838 HIS 11 CB 0.0054 0.0006 0.0013 6839 HIS 11 CG 0.0061 0.0002 0.0023 6840 HIS 11 ND1 0.0062 0.0004 0.0021 6841 HIS 11 CD2 0.0066 -0.0003 0.0035 6842 HIS 11 CE1 0.0068 0.0000 0.0032 6843 HIS 11 NE2 0.0071 -0.0004 0.0041 6844 HIS 11 H 0.0031 0.0005 -0.0001 6845 HIS 11 HA 0.0046 -0.0004 0.0025 6846 HIS 11 HB2 0.0062 0.0009 0.0010 6847 HIS 11 HB3 0.0050 0.0009 0.0005 6848 HIS 11 HD2 0.0066 -0.0005 0.0040 6849 HIS 11 HE1 0.0071 0.0000 0.0033 6850 HIS 11 HE2 0.0075 -0.0007 0.0049 6851 ARG 12 N 0.0027 -0.0013 0.0030 6852 ARG 12 CA 0.0016 -0.0019 0.0034 6853 ARG 12 C 0.0019 -0.0018 0.0035 6854 ARG 12 O 0.0026 -0.0020 0.0044 6855 ARG 12 CB 0.0012 -0.0027 0.0047 6856 ARG 12 CG -0.0002 -0.0032 0.0049 6857 ARG 12 CD -0.0006 -0.0039 0.0059 6858 ARG 12 NE -0.0020 -0.0045 0.0062 6859 ARG 12 CZ -0.0025 -0.0052 0.0071 6860 ARG 12 NH1 -0.0018 -0.0054 0.0079 6861 ARG 12 NH2 -0.0038 -0.0057 0.0073 6862 ARG 12 H 0.0032 -0.0015 0.0036 6863 ARG 12 HA 0.0007 -0.0018 0.0027 6864 ARG 12 HB2 0.0014 -0.0026 0.0047 6865 ARG 12 HB3 0.0019 -0.0028 0.0054 6866 ARG 12 HG2 -0.0003 -0.0034 0.0051 6867 ARG 12 HG3 -0.0009 -0.0030 0.0040 6868 ARG 12 HD2 -0.0006 -0.0038 0.0057 6869 ARG 12 HD3 0.0001 -0.0041 0.0068 6870 ARG 12 HE -0.0025 -0.0044 0.0057 6871 ARG 12 HH11 -0.0009 -0.0050 0.0078 6872 ARG 12 HH12 -0.0023 -0.0059 0.0086 6873 ARG 12 HH21 -0.0043 -0.0056 0.0067 6874 ARG 12 HH22 -0.0042 -0.0062 0.0080 6875 ALA 13 N -0.0003 -0.0015 0.0015 6876 ALA 13 CA -0.0005 -0.0015 0.0012 6877 ALA 13 C -0.0020 -0.0021 0.0023 6878 ALA 13 O -0.0031 -0.0022 0.0016 6879 ALA 13 CB -0.0009 -0.0012 -0.0007 6880 ALA 13 H -0.0007 -0.0014 0.0006 6881 ALA 13 HA 0.0007 -0.0013 0.0017 6882 ALA 13 HB1 -0.0010 -0.0012 -0.0009 6883 ALA 13 HB2 -0.0020 -0.0014 -0.0011 6884 ALA 13 HB3 0.0002 -0.0008 -0.0014 6885 GLY 14 N -0.0019 -0.0024 0.0040 6886 GLY 14 CA -0.0032 -0.0029 0.0052 6887 GLY 14 C -0.0049 -0.0032 0.0049 6888 GLY 14 O -0.0063 -0.0037 0.0055 6889 GLY 14 H -0.0010 -0.0022 0.0045 6890 GLY 14 HA2 -0.0028 -0.0030 0.0065 6891 GLY 14 HA3 -0.0035 -0.0029 0.0049 6892 LYS 15 N -0.0049 -0.0031 0.0039 6893 LYS 15 CA -0.0065 -0.0034 0.0036 6894 LYS 15 C -0.0062 -0.0033 0.0037 6895 LYS 15 O -0.0064 -0.0036 0.0051 6896 LYS 15 CB -0.0073 -0.0032 0.0017 6897 LYS 15 CG -0.0060 -0.0026 0.0004 6898 LYS 15 CD -0.0067 -0.0024 -0.0014 6899 LYS 15 CE -0.0085 -0.0028 -0.0018 6900 LYS 15 NZ -0.0092 -0.0026 -0.0036 6901 LYS 15 H -0.0039 -0.0027 0.0034 6902 LYS 15 HA -0.0074 -0.0038 0.0045 6903 LYS 15 HB2 -0.0079 -0.0032 0.0012 6904 LYS 15 HB3 -0.0083 -0.0035 0.0019 6905 LYS 15 HG2 -0.0058 -0.0026 0.0007 6906 LYS 15 HG3 -0.0048 -0.0024 0.0006 6907 LYS 15 HD2 -0.0058 -0.0021 -0.0023 6908 LYS 15 HD3 -0.0068 -0.0024 -0.0017 6909 LYS 15 HE2 -0.0094 -0.0032 -0.0008 6910 LYS 15 HE3 -0.0084 -0.0028 -0.0015 6911 LYS 15 HZ1 -0.0084 -0.0023 -0.0045 6912 LYS 15 HZ2 -0.0104 -0.0029 -0.0037 6913 LYS 15 HZ3 -0.0093 -0.0026 -0.0038 6914 LYS 16 N -0.0055 -0.0029 0.0024 6915 LYS 16 CA -0.0052 -0.0028 0.0023 6916 LYS 16 C -0.0038 -0.0022 0.0010 6917 LYS 16 O -0.0032 -0.0019 0.0002 6918 LYS 16 CB -0.0068 -0.0031 0.0019 6919 LYS 16 CG -0.0080 -0.0031 0.0005 6920 LYS 16 CD -0.0099 -0.0036 0.0009 6921 LYS 16 CE -0.0111 -0.0036 -0.0006 6922 LYS 16 NZ -0.0129 -0.0042 -0.0001 6923 LYS 16 H -0.0053 -0.0026 0.0013 6924 LYS 16 HA -0.0047 -0.0029 0.0036 6925 LYS 16 HB2 -0.0065 -0.0030 0.0015 6926 LYS 16 HB3 -0.0075 -0.0035 0.0031 6927 LYS 16 HG2 -0.0077 -0.0031 0.0005 6928 LYS 16 HG3 -0.0077 -0.0028 -0.0007 6929 LYS 16 HD2 -0.0101 -0.0037 0.0010 6930 LYS 16 HD3 -0.0102 -0.0039 0.0021 6931 LYS 16 HE2 -0.0106 -0.0035 -0.0009 6932 LYS 16 HE3 -0.0110 -0.0034 -0.0017 6933 LYS 16 HZ1 -0.0136 -0.0041 -0.0011 6934 LYS 16 HZ2 -0.0130 -0.0044 0.0010 6935 LYS 16 HZ3 -0.0133 -0.0043 0.0001 6936 TYR 17 N -0.0034 -0.0021 0.0009 6937 TYR 17 CA -0.0021 -0.0016 -0.0003 6938 TYR 17 C -0.0030 -0.0014 -0.0021 6939 TYR 17 O -0.0022 -0.0010 -0.0033 6940 TYR 17 CB -0.0011 -0.0015 0.0004 6941 TYR 17 CG -0.0005 -0.0017 0.0022 6942 TYR 17 CD1 -0.0016 -0.0022 0.0036 6943 TYR 17 CD2 0.0011 -0.0014 0.0027 6944 TYR 17 CE1 -0.0010 -0.0024 0.0053 6945 TYR 17 CE2 0.0016 -0.0016 0.0044 6946 TYR 17 CZ 0.0006 -0.0021 0.0057 6947 TYR 17 OH 0.0011 -0.0023 0.0074 6948 TYR 17 H -0.0040 -0.0024 0.0016 6949 TYR 17 HA -0.0012 -0.0013 -0.0005 6950 TYR 17 HB2 -0.0019 -0.0016 0.0003 6951 TYR 17 HB3 0.0000 -0.0010 -0.0004 6952 TYR 17 HD1 -0.0028 -0.0024 0.0033 6953 TYR 17 HD2 0.0019 -0.0010 0.0016 6954 TYR 17 HE1 -0.0019 -0.0028 0.0063 6955 TYR 17 HE2 0.0029 -0.0014 0.0047 6956 TYR 17 HH 0.0022 -0.0020 0.0075 6957 GLY 18 N -0.0046 -0.0018 -0.0023 6958 GLY 18 CA -0.0056 -0.0017 -0.0039 6959 GLY 18 C -0.0056 -0.0015 -0.0048 6960 GLY 18 O -0.0054 -0.0012 -0.0063 6961 GLY 18 H -0.0052 -0.0021 -0.0012 6962 GLY 18 HA2 -0.0069 -0.0021 -0.0036 6963 GLY 18 HA3 -0.0051 -0.0014 -0.0048 6964 PHE 19 N -0.0033 -0.0012 -0.0029 6965 PHE 19 CA -0.0030 -0.0013 -0.0026 6966 PHE 19 C -0.0028 -0.0009 -0.0023 6967 PHE 19 O -0.0029 -0.0006 -0.0023 6968 PHE 19 CB -0.0027 -0.0017 -0.0026 6969 PHE 19 CG -0.0026 -0.0016 -0.0024 6970 PHE 19 CD1 -0.0029 -0.0016 -0.0026 6971 PHE 19 CD2 -0.0023 -0.0017 -0.0021 6972 PHE 19 CE1 -0.0027 -0.0015 -0.0025 6973 PHE 19 CE2 -0.0022 -0.0016 -0.0020 6974 PHE 19 CZ -0.0024 -0.0015 -0.0022 6975 PHE 19 H -0.0034 -0.0009 -0.0029 6976 PHE 19 HA -0.0030 -0.0014 -0.0027 6977 PHE 19 HB2 -0.0025 -0.0019 -0.0024 6978 PHE 19 HB3 -0.0029 -0.0020 -0.0028 6979 PHE 19 HD1 -0.0031 -0.0016 -0.0029 6980 PHE 19 HD2 -0.0021 -0.0017 -0.0020 6981 PHE 19 HE1 -0.0029 -0.0014 -0.0026 6982 PHE 19 HE2 -0.0019 -0.0016 -0.0017 6983 PHE 19 HZ -0.0023 -0.0014 -0.0020 6984 THR 20 N -0.0026 -0.0009 -0.0021 6985 THR 20 CA -0.0024 -0.0006 -0.0017 6986 THR 20 C -0.0020 -0.0007 -0.0015 6987 THR 20 O -0.0018 -0.0011 -0.0014 6988 THR 20 CB -0.0023 -0.0005 -0.0017 6989 THR 20 OG1 -0.0026 -0.0003 -0.0019 6990 THR 20 CG2 -0.0021 -0.0001 -0.0013 6991 THR 20 H -0.0025 -0.0012 -0.0021 6992 THR 20 HA -0.0025 -0.0003 -0.0018 6993 THR 20 HB -0.0022 -0.0008 -0.0017 6994 THR 20 HG1 -0.0028 -0.0005 -0.0021 6995 THR 20 HG21 -0.0022 0.0002 -0.0013 6996 THR 20 HG22 -0.0019 -0.0002 -0.0011 6997 THR 20 HG23 -0.0020 -0.0001 -0.0012 6998 LEU 21 N -0.0019 -0.0005 -0.0013 6999 LEU 21 CA -0.0016 -0.0006 -0.0010 7000 LEU 21 C -0.0014 -0.0004 -0.0007 7001 LEU 21 O -0.0013 -0.0000 -0.0005 7002 LEU 21 CB -0.0016 -0.0005 -0.0010 7003 LEU 21 CG -0.0014 -0.0008 -0.0010 7004 LEU 21 CD1 -0.0012 -0.0013 -0.0010 7005 LEU 21 CD2 -0.0016 -0.0009 -0.0012 7006 LEU 21 H -0.0021 -0.0002 -0.0014 7007 LEU 21 HA -0.0015 -0.0010 -0.0011 7008 LEU 21 HB2 -0.0019 -0.0005 -0.0013 7009 LEU 21 HB3 -0.0016 -0.0002 -0.0009 7010 LEU 21 HG -0.0012 -0.0007 -0.0007 7011 LEU 21 HD11 -0.0011 -0.0015 -0.0009 7012 LEU 21 HD12 -0.0014 -0.0014 -0.0012 7013 LEU 21 HD13 -0.0011 -0.0012 -0.0008 7014 LEU 21 HD21 -0.0014 -0.0011 -0.0011 7015 LEU 21 HD22 -0.0017 -0.0006 -0.0012 7016 LEU 21 HD23 -0.0018 -0.0011 -0.0014 7017 ARG 22 N -0.0012 -0.0006 -0.0006 7018 ARG 22 CA -0.0009 -0.0004 -0.0003 7019 ARG 22 C -0.0006 -0.0004 -0.0000 7020 ARG 22 O -0.0005 -0.0007 -0.0000 7021 ARG 22 CB -0.0008 -0.0006 -0.0003 7022 ARG 22 CG -0.0007 -0.0004 -0.0001 7023 ARG 22 CD -0.0011 -0.0001 -0.0003 7024 ARG 22 NE -0.0010 0.0001 -0.0002 7025 ARG 22 CZ -0.0012 0.0004 -0.0002 7026 ARG 22 NH1 -0.0015 0.0006 -0.0004 7027 ARG 22 NH2 -0.0011 0.0005 -0.0001 7028 ARG 22 H -0.0012 -0.0008 -0.0008 7029 ARG 22 HA -0.0011 -0.0000 -0.0003 7030 ARG 22 HB2 -0.0010 -0.0008 -0.0006 7031 ARG 22 HB3 -0.0006 -0.0009 -0.0002 7032 ARG 22 HG2 -0.0006 -0.0006 -0.0001 7033 ARG 22 HG3 -0.0006 -0.0001 0.0001 7034 ARG 22 HD2 -0.0012 0.0002 -0.0003 7035 ARG 22 HD3 -0.0012 -0.0003 -0.0006 7036 ARG 22 HE -0.0008 -0.0001 -0.0000 7037 ARG 22 HH11 -0.0016 0.0005 -0.0005 7038 ARG 22 HH12 -0.0017 0.0009 -0.0005 7039 ARG 22 HH21 -0.0009 0.0004 0.0001 7040 ARG 22 HH22 -0.0012 0.0008 -0.0001 7041 ALA 23 N -0.0005 -0.0000 0.0003 7042 ALA 23 CA -0.0002 0.0000 0.0006 7043 ALA 23 C 0.0002 -0.0001 0.0008 7044 ALA 23 O 0.0001 0.0001 0.0009 7045 ALA 23 CB -0.0002 0.0004 0.0007 7046 ALA 23 H -0.0006 0.0002 0.0003 7047 ALA 23 HA -0.0001 -0.0003 0.0005 7048 ALA 23 HB1 -0.0003 0.0007 0.0007 7049 ALA 23 HB2 -0.0004 0.0005 0.0005 7050 ALA 23 HB3 -0.0000 0.0005 0.0009 7051 ILE 24 N 0.0005 -0.0003 0.0010 7052 ILE 24 CA 0.0008 -0.0003 0.0013 7053 ILE 24 C 0.0011 -0.0003 0.0016 7054 ILE 24 O 0.0011 -0.0005 0.0016 7055 ILE 24 CB 0.0009 -0.0008 0.0012 7056 ILE 24 CG1 0.0008 -0.0011 0.0009 7057 ILE 24 CG2 0.0007 -0.0007 0.0011 7058 ILE 24 CD1 0.0009 -0.0016 0.0009 7059 ILE 24 H 0.0005 -0.0004 0.0010 7060 ILE 24 HA 0.0008 -0.0001 0.0014 7061 ILE 24 HB 0.0011 -0.0009 0.0014 7062 ILE 24 HG12 0.0005 -0.0011 0.0007 7063 ILE 24 HG13 0.0009 -0.0012 0.0010 7064 ILE 24 HG21 0.0008 -0.0005 0.0012 7065 ILE 24 HG22 0.0008 -0.0010 0.0010 7066 ILE 24 HG23 0.0004 -0.0006 0.0008 7067 ILE 24 HD11 0.0008 -0.0018 0.0007 7068 ILE 24 HD12 0.0008 -0.0016 0.0008 7069 ILE 24 HD13 0.0012 -0.0017 0.0011 7070 ARG 25 N 0.0046 0.0002 0.0016 7071 ARG 25 CA 0.0035 0.0003 0.0004 7072 ARG 25 C 0.0030 -0.0002 0.0026 7073 ARG 25 O 0.0049 -0.0001 0.0034 7074 ARG 25 CB 0.0054 0.0009 -0.0018 7075 ARG 25 CG 0.0067 0.0014 -0.0037 7076 ARG 25 CD 0.0074 0.0021 -0.0065 7077 ARG 25 NE 0.0090 0.0022 -0.0062 7078 ARG 25 CZ 0.0108 0.0028 -0.0080 7079 ARG 25 NH1 0.0114 0.0033 -0.0102 7080 ARG 25 NH2 0.0120 0.0029 -0.0077 7081 ARG 25 H 0.0066 0.0003 0.0023 7082 ARG 25 HA 0.0015 0.0002 -0.0006 7083 ARG 25 HB2 0.0071 0.0010 -0.0008 7084 ARG 25 HB3 0.0042 0.0010 -0.0031 7085 ARG 25 HG2 0.0053 0.0013 -0.0040 7086 ARG 25 HG3 0.0086 0.0015 -0.0027 7087 ARG 25 HD2 0.0055 0.0020 -0.0076 7088 ARG 25 HD3 0.0087 0.0024 -0.0076 7089 ARG 25 HE 0.0086 0.0019 -0.0046 7090 ARG 25 HH11 0.0105 0.0032 -0.0105 7091 ARG 25 HH12 0.0128 0.0037 -0.0116 7092 ARG 25 HH21 0.0116 0.0025 -0.0060 7093 ARG 25 HH22 0.0133 0.0034 -0.0091 7094 VAL 26 N 0.0005 -0.0008 0.0036 7095 VAL 26 CA -0.0003 -0.0013 0.0058 7096 VAL 26 C -0.0010 -0.0011 0.0045 7097 VAL 26 O -0.0031 -0.0011 0.0030 7098 VAL 26 CB -0.0027 -0.0019 0.0075 7099 VAL 26 CG1 -0.0017 -0.0021 0.0094 7100 VAL 26 CG2 -0.0051 -0.0019 0.0057 7101 VAL 26 H -0.0009 -0.0008 0.0029 7102 VAL 26 HA 0.0016 -0.0013 0.0071 7103 VAL 26 HB -0.0034 -0.0022 0.0088 7104 VAL 26 HG11 -0.0035 -0.0025 0.0101 7105 VAL 26 HG12 -0.0004 -0.0017 0.0083 7106 VAL 26 HG13 -0.0006 -0.0023 0.0112 7107 VAL 26 HG21 -0.0057 -0.0017 0.0042 7108 VAL 26 HG22 -0.0045 -0.0016 0.0046 7109 VAL 26 HG23 -0.0069 -0.0024 0.0070 7110 TYR 27 N 0.0007 -0.0010 0.0052 7111 TYR 27 CA 0.0003 -0.0009 0.0042 7112 TYR 27 C -0.0018 -0.0015 0.0060 7113 TYR 27 O -0.0014 -0.0019 0.0085 7114 TYR 27 CB 0.0030 -0.0005 0.0041 7115 TYR 27 CG 0.0048 0.0002 0.0017 7116 TYR 27 CD1 0.0055 0.0004 0.0012 7117 TYR 27 CD2 0.0059 0.0007 -0.0000 7118 TYR 27 CE1 0.0072 0.0010 -0.0010 7119 TYR 27 CE2 0.0076 0.0013 -0.0022 7120 TYR 27 CZ 0.0082 0.0015 -0.0027 7121 TYR 27 OH 0.0099 0.0021 -0.0048 7122 TYR 27 H 0.0023 -0.0010 0.0064 7123 TYR 27 HA -0.0006 -0.0006 0.0021 7124 TYR 27 HB2 0.0042 -0.0007 0.0060 7125 TYR 27 HB3 0.0025 -0.0005 0.0039 7126 TYR 27 HD1 0.0047 0.0000 0.0025 7127 TYR 27 HD2 0.0054 0.0005 0.0003 7128 TYR 27 HE1 0.0077 0.0011 -0.0013 7129 TYR 27 HE2 0.0084 0.0016 -0.0035 7130 TYR 27 HH 0.0099 0.0023 -0.0062 7131 MET 28 N -0.0041 -0.0016 0.0047 7132 MET 28 CA -0.0063 -0.0022 0.0062 7133 MET 28 C -0.0056 -0.0021 0.0065 7134 MET 28 O -0.0062 -0.0019 0.0046 7135 MET 28 CB -0.0091 -0.0023 0.0047 7136 MET 28 CG -0.0101 -0.0024 0.0046 7137 MET 28 SD -0.0108 -0.0031 0.0079 7138 MET 28 CE -0.0076 -0.0028 0.0087 7139 MET 28 H -0.0043 -0.0012 0.0027 7140 MET 28 HA -0.0064 -0.0025 0.0082 7141 MET 28 HB2 -0.0090 -0.0019 0.0026 7142 MET 28 HB3 -0.0106 -0.0027 0.0058 7143 MET 28 HG2 -0.0085 -0.0020 0.0036 7144 MET 28 HG3 -0.0120 -0.0024 0.0033 7145 MET 28 HE1 -0.0073 -0.0025 0.0071 7146 MET 28 HE2 -0.0059 -0.0026 0.0086 7147 MET 28 HE3 -0.0077 -0.0032 0.0107 7148 GLY 29 N -0.0043 -0.0024 0.0088 7149 GLY 29 CA -0.0035 -0.0024 0.0093 7150 GLY 29 C -0.0005 -0.0018 0.0085 7151 GLY 29 O 0.0013 -0.0016 0.0087 7152 GLY 29 H -0.0038 -0.0025 0.0102 7153 GLY 29 HA2 -0.0037 -0.0028 0.0115 7154 GLY 29 HA3 -0.0049 -0.0023 0.0082 7155 ASP 30 N -0.0001 -0.0016 0.0076 7156 ASP 30 CA 0.0027 -0.0010 0.0067 7157 ASP 30 C 0.0029 -0.0004 0.0036 7158 ASP 30 O 0.0052 0.0001 0.0025 7159 ASP 30 CB 0.0034 -0.0011 0.0078 7160 ASP 30 CG 0.0063 -0.0006 0.0072 7161 ASP 30 OD1 0.0083 -0.0006 0.0085 7162 ASP 30 OD2 0.0067 -0.0002 0.0054 7163 ASP 30 H -0.0016 -0.0017 0.0074 7164 ASP 30 HA 0.0042 -0.0010 0.0077 7165 ASP 30 HB2 0.0031 -0.0016 0.0100 7166 ASP 30 HB3 0.0019 -0.0011 0.0067 7167 SER 31 N -0.0018 -0.0007 -0.0027 7168 SER 31 CA -0.0018 -0.0006 -0.0055 7169 SER 31 C -0.0004 -0.0007 -0.0059 7170 SER 31 O 0.0003 -0.0008 -0.0039 7171 SER 31 CB -0.0047 -0.0002 -0.0065 7172 SER 31 OG -0.0063 -0.0001 -0.0050 7173 SER 31 H -0.0034 -0.0005 -0.0017 7174 SER 31 HA -0.0008 -0.0006 -0.0067 7175 SER 31 HB2 -0.0054 -0.0002 -0.0063 7176 SER 31 HB3 -0.0047 -0.0001 -0.0086 7177 SER 31 HG -0.0079 0.0000 -0.0045 7178 ASP 32 N 0.0001 -0.0007 -0.0084 7179 ASP 32 CA 0.0015 -0.0008 -0.0090 7180 ASP 32 C -0.0002 -0.0006 -0.0088 7181 ASP 32 O 0.0005 -0.0007 -0.0097 7182 ASP 32 CB 0.0028 -0.0008 -0.0118 7183 ASP 32 CG 0.0009 -0.0005 -0.0141 7184 ASP 32 OD1 -0.0013 -0.0003 -0.0141 7185 ASP 32 OD2 0.0016 -0.0005 -0.0158 7186 ASP 32 H -0.0005 -0.0005 -0.0098 7187 ASP 32 HA 0.0031 -0.0010 -0.0076 7188 ASP 32 HB2 0.0044 -0.0010 -0.0119 7189 ASP 32 HB3 0.0036 -0.0009 -0.0121 7190 VAL 33 N -0.0027 -0.0004 -0.0078 7191 VAL 33 CA -0.0045 -0.0002 -0.0075 7192 VAL 33 C -0.0037 -0.0004 -0.0051 7193 VAL 33 O -0.0034 -0.0005 -0.0029 7194 VAL 33 CB -0.0074 0.0001 -0.0073 7195 VAL 33 CG1 -0.0078 0.0000 -0.0051 7196 VAL 33 CG2 -0.0092 0.0003 -0.0068 7197 VAL 33 H -0.0032 -0.0004 -0.0072 7198 VAL 33 HA -0.0043 -0.0002 -0.0093 7199 VAL 33 HB -0.0080 0.0002 -0.0092 7200 VAL 33 HG11 -0.0098 0.0002 -0.0051 7201 VAL 33 HG12 -0.0073 -0.0001 -0.0032 7202 VAL 33 HG13 -0.0065 -0.0001 -0.0055 7203 VAL 33 HG21 -0.0088 0.0001 -0.0049 7204 VAL 33 HG22 -0.0113 0.0005 -0.0069 7205 VAL 33 HG23 -0.0089 0.0003 -0.0083 7206 TYR 34 N -0.0036 -0.0004 -0.0056 7207 TYR 34 CA -0.0029 -0.0005 -0.0035 7208 TYR 34 C -0.0044 -0.0004 -0.0037 7209 TYR 34 O -0.0050 -0.0002 -0.0059 7210 TYR 34 CB 0.0001 -0.0008 -0.0035 7211 TYR 34 CG 0.0011 -0.0008 -0.0061 7212 TYR 34 CD1 0.0019 -0.0008 -0.0082 7213 TYR 34 CD2 0.0013 -0.0009 -0.0064 7214 TYR 34 CE1 0.0028 -0.0009 -0.0106 7215 TYR 34 CE2 0.0022 -0.0009 -0.0087 7216 TYR 34 CZ 0.0029 -0.0009 -0.0108 7217 TYR 34 OH 0.0038 -0.0009 -0.0132 7218 TYR 34 H -0.0039 -0.0003 -0.0074 7219 TYR 34 HA -0.0034 -0.0005 -0.0016 7220 TYR 34 HB2 0.0006 -0.0009 -0.0019 7221 TYR 34 HB3 0.0012 -0.0010 -0.0032 7222 TYR 34 HD1 0.0017 -0.0008 -0.0081 7223 TYR 34 HD2 0.0007 -0.0009 -0.0047 7224 TYR 34 HE1 0.0033 -0.0009 -0.0123 7225 TYR 34 HE2 0.0023 -0.0009 -0.0089 7226 TYR 34 HH 0.0025 -0.0007 -0.0146 7227 THR 35 N -0.0051 -0.0004 -0.0015 7228 THR 35 CA -0.0065 -0.0002 -0.0015 7229 THR 35 C -0.0046 -0.0004 -0.0007 7230 THR 35 O -0.0031 -0.0007 0.0012 7231 THR 35 CB -0.0089 -0.0000 0.0003 7232 THR 35 OG1 -0.0095 -0.0000 0.0011 7233 THR 35 CG2 -0.0113 0.0003 -0.0010 7234 THR 35 H -0.0046 -0.0005 0.0003 7235 THR 35 HA -0.0072 -0.0001 -0.0035 7236 THR 35 HB -0.0084 -0.0002 0.0021 7237 THR 35 HG1 -0.0089 -0.0000 -0.0002 7238 THR 35 HG21 -0.0130 0.0004 0.0004 7239 THR 35 HG22 -0.0118 0.0004 -0.0028 7240 THR 35 HG23 -0.0109 0.0002 -0.0016 7241 VAL 36 N -0.0047 -0.0004 -0.0022 7242 VAL 36 CA -0.0029 -0.0006 -0.0016 7243 VAL 36 C -0.0042 -0.0005 0.0004 7244 VAL 36 O -0.0062 -0.0003 -0.0001 7245 VAL 36 CB -0.0023 -0.0006 -0.0042 7246 VAL 36 CG1 0.0000 -0.0008 -0.0036 7247 VAL 36 CG2 -0.0016 -0.0006 -0.0065 7248 VAL 36 H -0.0059 -0.0002 -0.0037 7249 VAL 36 HA -0.0011 -0.0008 -0.0008 7250 VAL 36 HB -0.0040 -0.0004 -0.0047 7251 VAL 36 HG11 0.0005 -0.0008 -0.0054 7252 VAL 36 HG12 0.0018 -0.0010 -0.0030 7253 VAL 36 HG13 -0.0005 -0.0008 -0.0020 7254 VAL 36 HG21 -0.0032 -0.0004 -0.0069 7255 VAL 36 HG22 0.0001 -0.0007 -0.0060 7256 VAL 36 HG23 -0.0012 -0.0005 -0.0082 7257 HIS 37 N -0.0010 -0.0008 -0.0001 7258 HIS 37 CA -0.0010 -0.0010 -0.0004 7259 HIS 37 C -0.0012 -0.0007 -0.0006 7260 HIS 37 O -0.0012 -0.0004 -0.0006 7261 HIS 37 CB -0.0010 -0.0012 -0.0003 7262 HIS 37 CG -0.0008 -0.0015 -0.0000 7263 HIS 37 ND1 -0.0008 -0.0018 -0.0002 7264 HIS 37 CD2 -0.0007 -0.0016 0.0003 7265 HIS 37 CE1 -0.0007 -0.0020 0.0001 7266 HIS 37 NE2 -0.0006 -0.0019 0.0003 7267 HIS 37 H -0.0009 -0.0006 0.0000 7268 HIS 37 HA -0.0011 -0.0012 -0.0005 7269 HIS 37 HB2 -0.0009 -0.0011 -0.0001 7270 HIS 37 HB3 -0.0010 -0.0014 -0.0005 7271 HIS 37 HD2 -0.0006 -0.0014 0.0005 7272 HIS 37 HE1 -0.0007 -0.0023 0.0000 7273 HIS 37 HE2 -0.0005 -0.0020 0.0005 7274 HIS 38 N -0.0013 -0.0009 -0.0009 7275 HIS 38 CA -0.0014 -0.0007 -0.0012 7276 HIS 38 C -0.0014 -0.0009 -0.0013 7277 HIS 38 O -0.0014 -0.0012 -0.0013 7278 HIS 38 CB -0.0015 -0.0006 -0.0014 7279 HIS 38 CG -0.0015 -0.0004 -0.0013 7280 HIS 38 ND1 -0.0015 -0.0000 -0.0012 7281 HIS 38 CD2 -0.0015 -0.0005 -0.0012 7282 HIS 38 CE1 -0.0015 0.0001 -0.0011 7283 HIS 38 NE2 -0.0015 -0.0002 -0.0011 7284 HIS 38 H -0.0012 -0.0012 -0.0009 7285 HIS 38 HA -0.0014 -0.0004 -0.0010 7286 HIS 38 HB2 -0.0015 -0.0009 -0.0015 7287 HIS 38 HB3 -0.0016 -0.0005 -0.0016 7288 HIS 38 HD2 -0.0015 -0.0008 -0.0013 7289 HIS 38 HE1 -0.0015 0.0003 -0.0010 7290 HIS 38 HE2 -0.0014 -0.0002 -0.0010 7291 MET 39 N -0.0015 -0.0007 -0.0015 7292 MET 39 CA -0.0016 -0.0009 -0.0016 7293 MET 39 C -0.0017 -0.0007 -0.0019 7294 MET 39 O -0.0018 -0.0003 -0.0019 7295 MET 39 CB -0.0015 -0.0009 -0.0014 7296 MET 39 CG -0.0013 -0.0011 -0.0011 7297 MET 39 SD -0.0012 -0.0013 -0.0009 7298 MET 39 CE -0.0012 -0.0010 -0.0008 7299 MET 39 H -0.0016 -0.0004 -0.0014 7300 MET 39 HA -0.0016 -0.0011 -0.0017 7301 MET 39 HB2 -0.0015 -0.0006 -0.0013 7302 MET 39 HB3 -0.0015 -0.0010 -0.0015 7303 MET 39 HG2 -0.0013 -0.0013 -0.0012 7304 MET 39 HG3 -0.0013 -0.0010 -0.0009 7305 MET 39 HE1 -0.0012 -0.0010 -0.0007 7306 MET 39 HE2 -0.0013 -0.0008 -0.0010 7307 MET 39 HE3 -0.0012 -0.0008 -0.0006 7308 VAL 40 N -0.0018 -0.0008 -0.0022 7309 VAL 40 CA -0.0020 -0.0007 -0.0025 7310 VAL 40 C -0.0020 -0.0005 -0.0024 7311 VAL 40 O -0.0019 -0.0006 -0.0024 7312 VAL 40 CB -0.0020 -0.0009 -0.0028 7313 VAL 40 CG1 -0.0020 -0.0013 -0.0027 7314 VAL 40 CG2 -0.0022 -0.0007 -0.0031 7315 VAL 40 H -0.0018 -0.0011 -0.0022 7316 VAL 40 HA -0.0020 -0.0005 -0.0025 7317 VAL 40 HB -0.0021 -0.0010 -0.0028 7318 VAL 40 HG11 -0.0019 -0.0012 -0.0026 7319 VAL 40 HG12 -0.0019 -0.0014 -0.0025 7320 VAL 40 HG13 -0.0020 -0.0014 -0.0029 7321 VAL 40 HG21 -0.0022 -0.0007 -0.0030 7322 VAL 40 HG22 -0.0023 -0.0009 -0.0033 7323 VAL 40 HG23 -0.0022 -0.0005 -0.0031 7324 TRP 41 N -0.0020 -0.0001 -0.0023 7325 TRP 41 CA -0.0020 0.0001 -0.0022 7326 TRP 41 C -0.0021 0.0001 -0.0025 7327 TRP 41 O -0.0021 0.0001 -0.0025 7328 TRP 41 CB -0.0020 0.0005 -0.0021 7329 TRP 41 CG -0.0019 0.0007 -0.0019 7330 TRP 41 CD1 -0.0020 0.0010 -0.0019 7331 TRP 41 CD2 -0.0018 0.0005 -0.0016 7332 TRP 41 NE1 -0.0019 0.0011 -0.0016 7333 TRP 41 CE2 -0.0017 0.0008 -0.0014 7334 TRP 41 CE3 -0.0017 0.0002 -0.0014 7335 TRP 41 CZ2 -0.0016 0.0007 -0.0011 7336 TRP 41 CZ3 -0.0015 0.0001 -0.0011 7337 TRP 41 CH2 -0.0015 0.0004 -0.0010 7338 TRP 41 H -0.0020 -0.0000 -0.0023 7339 TRP 41 HA -0.0019 -0.0000 -0.0020 7340 TRP 41 HB2 -0.0019 0.0004 -0.0020 7341 TRP 41 HB3 -0.0021 0.0006 -0.0023 7342 TRP 41 HD1 -0.0021 0.0012 -0.0021 7343 TRP 41 HE1 -0.0019 0.0013 -0.0015 7344 TRP 41 HE3 -0.0017 -0.0000 -0.0015 7345 TRP 41 HZ2 -0.0016 0.0009 -0.0010 7346 TRP 41 HZ3 -0.0014 -0.0001 -0.0010 7347 TRP 41 HH2 -0.0014 0.0003 -0.0007 7348 HIS 42 N -0.0022 0.0002 -0.0028 7349 HIS 42 CA -0.0024 0.0002 -0.0031 7350 HIS 42 C -0.0025 0.0001 -0.0034 7351 HIS 42 O -0.0025 0.0002 -0.0035 7352 HIS 42 CB -0.0024 0.0006 -0.0031 7353 HIS 42 CG -0.0025 0.0007 -0.0033 7354 HIS 42 ND1 -0.0025 0.0007 -0.0032 7355 HIS 42 CD2 -0.0027 0.0007 -0.0037 7356 HIS 42 CE1 -0.0026 0.0008 -0.0034 7357 HIS 42 NE2 -0.0027 0.0007 -0.0037 7358 HIS 42 H -0.0022 0.0002 -0.0028 7359 HIS 42 HA -0.0023 0.0000 -0.0031 7360 HIS 42 HB2 -0.0024 0.0007 -0.0029 7361 HIS 42 HB3 -0.0025 0.0007 -0.0033 7362 HIS 42 HD2 -0.0027 0.0006 -0.0039 7363 HIS 42 HE1 -0.0026 0.0008 -0.0034 7364 HIS 42 HE2 -0.0028 0.0008 -0.0039 7365 VAL 43 N -0.0056 0.0002 -0.0062 7366 VAL 43 CA -0.0048 0.0001 -0.0061 7367 VAL 43 C -0.0057 0.0002 -0.0074 7368 VAL 43 O -0.0058 0.0001 -0.0090 7369 VAL 43 CB -0.0029 -0.0001 -0.0063 7370 VAL 43 CG1 -0.0024 -0.0003 -0.0079 7371 VAL 43 CG2 -0.0021 -0.0002 -0.0063 7372 VAL 43 H -0.0056 0.0002 -0.0073 7373 VAL 43 HA -0.0051 0.0002 -0.0048 7374 VAL 43 HB -0.0024 -0.0002 -0.0052 7375 VAL 43 HG11 -0.0028 -0.0002 -0.0078 7376 VAL 43 HG12 -0.0010 -0.0005 -0.0081 7377 VAL 43 HG13 -0.0031 -0.0002 -0.0090 7378 VAL 43 HG21 -0.0024 -0.0002 -0.0051 7379 VAL 43 HG22 -0.0026 -0.0002 -0.0074 7380 VAL 43 HG23 -0.0007 -0.0004 -0.0065 7381 GLU 44 N -0.0063 0.0003 -0.0068 7382 GLU 44 CA -0.0071 0.0004 -0.0078 7383 GLU 44 C -0.0059 0.0001 -0.0090 7384 GLU 44 O -0.0046 -0.0000 -0.0085 7385 GLU 44 CB -0.0079 0.0005 -0.0066 7386 GLU 44 CG -0.0094 0.0007 -0.0055 7387 GLU 44 CD -0.0100 0.0009 -0.0042 7388 GLU 44 OE1 -0.0091 0.0008 -0.0029 7389 GLU 44 OE2 -0.0115 0.0011 -0.0044 7390 GLU 44 H -0.0061 0.0003 -0.0055 7391 GLU 44 HA -0.0081 0.0005 -0.0085 7392 GLU 44 HB2 -0.0069 0.0004 -0.0057 7393 GLU 44 HB3 -0.0083 0.0005 -0.0073 7394 GLU 44 HG2 -0.0104 0.0008 -0.0064 7395 GLU 44 HG3 -0.0090 0.0007 -0.0049 7396 ASP 45 N -0.0063 0.0001 -0.0107 7397 ASP 45 CA -0.0052 -0.0001 -0.0120 7398 ASP 45 C -0.0057 -0.0000 -0.0123 7399 ASP 45 O -0.0054 -0.0001 -0.0137 7400 ASP 45 CB -0.0054 -0.0001 -0.0137 7401 ASP 45 CG -0.0072 0.0001 -0.0144 7402 ASP 45 OD1 -0.0084 0.0003 -0.0134 7403 ASP 45 OD2 -0.0075 0.0001 -0.0159 7404 ASP 45 H -0.0073 0.0003 -0.0110 7405 ASP 45 HA -0.0039 -0.0002 -0.0116 7406 ASP 45 HB2 -0.0046 -0.0003 -0.0147 7407 ASP 45 HB3 -0.0049 -0.0002 -0.0135 7408 GLY 46 N -0.0064 0.0001 -0.0110 7409 GLY 46 CA -0.0069 0.0002 -0.0112 7410 GLY 46 C -0.0055 0.0000 -0.0108 7411 GLY 46 O -0.0055 -0.0000 -0.0114 7412 GLY 46 H -0.0066 0.0002 -0.0100 7413 GLY 46 HA2 -0.0074 0.0002 -0.0124 7414 GLY 46 HA3 -0.0079 0.0004 -0.0102 7415 GLY 47 N -0.0041 -0.0001 -0.0099 7416 GLY 47 CA -0.0027 -0.0003 -0.0095 7417 GLY 47 C -0.0014 -0.0004 -0.0082 7418 GLY 47 O 0.0001 -0.0006 -0.0086 7419 GLY 47 H -0.0041 -0.0001 -0.0095 7420 GLY 47 HA2 -0.0020 -0.0004 -0.0107 7421 GLY 47 HA3 -0.0032 -0.0002 -0.0091 7422 PRO 48 N -0.0020 -0.0003 -0.0067 7423 PRO 48 CA -0.0008 -0.0004 -0.0053 7424 PRO 48 C 0.0004 -0.0006 -0.0058 7425 PRO 48 O 0.0013 -0.0007 -0.0071 7426 PRO 48 CB -0.0021 -0.0002 -0.0040 7427 PRO 48 CG -0.0036 0.0000 -0.0042 7428 PRO 48 CD -0.0038 -0.0000 -0.0061 7429 PRO 48 HA -0.0001 -0.0004 -0.0048 7430 PRO 48 HB2 -0.0024 -0.0001 -0.0042 7431 PRO 48 HB3 -0.0015 -0.0002 -0.0027 7432 PRO 48 HG2 -0.0047 0.0002 -0.0037 7433 PRO 48 HG3 -0.0034 0.0000 -0.0036 7434 PRO 48 HD2 -0.0045 0.0001 -0.0067 7435 PRO 48 HD3 -0.0044 0.0001 -0.0064 7436 ALA 49 N -0.0010 0.0006 -0.0052 7437 ALA 49 CA -0.0003 0.0005 -0.0054 7438 ALA 49 C -0.0002 0.0007 -0.0069 7439 ALA 49 O 0.0009 0.0006 -0.0073 7440 ALA 49 CB -0.0011 0.0004 -0.0043 7441 ALA 49 H -0.0017 0.0005 -0.0044 7442 ALA 49 HA 0.0008 0.0002 -0.0050 7443 ALA 49 HB1 -0.0003 0.0002 -0.0036 7444 ALA 49 HB2 -0.0015 0.0006 -0.0049 7445 ALA 49 HB3 -0.0019 0.0004 -0.0037 7446 SER 50 N -0.0014 0.0010 -0.0077 7447 SER 50 CA -0.0014 0.0013 -0.0092 7448 SER 50 C -0.0002 0.0013 -0.0101 7449 SER 50 O 0.0007 0.0012 -0.0107 7450 SER 50 CB -0.0028 0.0017 -0.0098 7451 SER 50 OG -0.0037 0.0018 -0.0098 7452 SER 50 H -0.0022 0.0011 -0.0073 7453 SER 50 HA -0.0013 0.0013 -0.0091 7454 SER 50 HB2 -0.0033 0.0016 -0.0092 7455 SER 50 HB3 -0.0027 0.0018 -0.0109 7456 SER 50 HG -0.0032 0.0018 -0.0102 7457 GLU 51 N -0.0002 0.0013 -0.0103 7458 GLU 51 CA 0.0009 0.0013 -0.0113 7459 GLU 51 C 0.0024 0.0010 -0.0107 7460 GLU 51 O 0.0035 0.0010 -0.0115 7461 GLU 51 CB 0.0006 0.0014 -0.0114 7462 GLU 51 CG -0.0007 0.0017 -0.0122 7463 GLU 51 CD -0.0005 0.0020 -0.0138 7464 GLU 51 OE1 -0.0002 0.0021 -0.0145 7465 GLU 51 OE2 -0.0005 0.0021 -0.0144 7466 GLU 51 H -0.0009 0.0013 -0.0098 7467 GLU 51 HA 0.0009 0.0015 -0.0123 7468 GLU 51 HB2 0.0005 0.0012 -0.0103 7469 GLU 51 HB3 0.0015 0.0013 -0.0120 7470 GLU 51 HG2 -0.0015 0.0018 -0.0120 7471 GLU 51 HG3 -0.0011 0.0017 -0.0118 7472 ALA 52 N 0.0025 0.0007 -0.0093 7473 ALA 52 CA 0.0038 0.0004 -0.0086 7474 ALA 52 C 0.0045 0.0004 -0.0091 7475 ALA 52 O 0.0058 0.0002 -0.0091 7476 ALA 52 CB 0.0036 0.0002 -0.0070 7477 ALA 52 H 0.0016 0.0008 -0.0087 7478 ALA 52 HA 0.0046 0.0003 -0.0089 7479 ALA 52 HB1 0.0046 -0.0001 -0.0065 7480 ALA 52 HB2 0.0027 0.0002 -0.0067 7481 ALA 52 HB3 0.0033 0.0001 -0.0067 7482 GLY 53 N 0.0036 0.0006 -0.0095 7483 GLY 53 CA 0.0041 0.0006 -0.0099 7484 GLY 53 C 0.0032 0.0006 -0.0093 7485 GLY 53 O 0.0034 0.0007 -0.0098 7486 GLY 53 H 0.0025 0.0007 -0.0094 7487 GLY 53 HA2 0.0040 0.0008 -0.0111 7488 GLY 53 HA3 0.0052 0.0004 -0.0096 7489 LEU 54 N 0.0023 0.0006 -0.0082 7490 LEU 54 CA 0.0014 0.0006 -0.0075 7491 LEU 54 C 0.0003 0.0009 -0.0085 7492 LEU 54 O -0.0007 0.0012 -0.0090 7493 LEU 54 CB 0.0007 0.0005 -0.0061 7494 LEU 54 CG 0.0005 0.0003 -0.0049 7495 LEU 54 CD1 -0.0003 0.0002 -0.0037 7496 LEU 54 CD2 -0.0002 0.0005 -0.0055 7497 LEU 54 H 0.0022 0.0005 -0.0079 7498 LEU 54 HA 0.0021 0.0004 -0.0073 7499 LEU 54 HB2 0.0013 0.0003 -0.0057 7500 LEU 54 HB3 -0.0004 0.0007 -0.0064 7501 LEU 54 HG 0.0016 0.0000 -0.0046 7502 LEU 54 HD11 0.0003 -0.0000 -0.0032 7503 LEU 54 HD12 -0.0005 0.0001 -0.0029 7504 LEU 54 HD13 -0.0013 0.0004 -0.0040 7505 LEU 54 HD21 -0.0013 0.0007 -0.0058 7506 LEU 54 HD22 -0.0003 0.0003 -0.0046 7507 LEU 54 HD23 0.0004 0.0005 -0.0064 7508 ARG 55 N 0.0001 0.0011 -0.0038 7509 ARG 55 CA -0.0000 0.0012 -0.0040 7510 ARG 55 C -0.0003 0.0012 -0.0038 7511 ARG 55 O -0.0002 0.0011 -0.0036 7512 ARG 55 CB 0.0001 0.0012 -0.0041 7513 ARG 55 CG 0.0002 0.0011 -0.0040 7514 ARG 55 CD 0.0000 0.0012 -0.0040 7515 ARG 55 NE 0.0001 0.0012 -0.0042 7516 ARG 55 CZ -0.0002 0.0013 -0.0043 7517 ARG 55 NH1 -0.0004 0.0013 -0.0042 7518 ARG 55 NH2 -0.0001 0.0013 -0.0046 7519 ARG 55 H 0.0003 0.0010 -0.0037 7520 ARG 55 HA -0.0001 0.0012 -0.0041 7521 ARG 55 HB2 -0.0001 0.0013 -0.0042 7522 ARG 55 HB3 0.0002 0.0012 -0.0043 7523 ARG 55 HG2 0.0004 0.0011 -0.0041 7524 ARG 55 HG3 0.0002 0.0011 -0.0038 7525 ARG 55 HD2 0.0001 0.0011 -0.0038 7526 ARG 55 HD3 -0.0002 0.0012 -0.0039 7527 ARG 55 HE 0.0002 0.0012 -0.0043 7528 ARG 55 HH11 -0.0004 0.0013 -0.0041 7529 ARG 55 HH12 -0.0006 0.0014 -0.0043 7530 ARG 55 HH21 0.0001 0.0013 -0.0046 7531 ARG 55 HH22 -0.0003 0.0014 -0.0046 7532 GLN 56 N -0.0005 0.0013 -0.0038 7533 GLN 56 CA -0.0008 0.0013 -0.0037 7534 GLN 56 C -0.0008 0.0013 -0.0037 7535 GLN 56 O -0.0007 0.0013 -0.0038 7536 GLN 56 CB -0.0010 0.0014 -0.0038 7537 GLN 56 CG -0.0013 0.0014 -0.0036 7538 GLN 56 CD -0.0015 0.0015 -0.0037 7539 GLN 56 OE1 -0.0015 0.0015 -0.0039 7540 GLN 56 NE2 -0.0017 0.0015 -0.0037 7541 GLN 56 H -0.0005 0.0013 -0.0040 7542 GLN 56 HA -0.0008 0.0012 -0.0035 7543 GLN 56 HB2 -0.0010 0.0014 -0.0039 7544 GLN 56 HB3 -0.0010 0.0014 -0.0040 7545 GLN 56 HG2 -0.0013 0.0014 -0.0036 7546 GLN 56 HG3 -0.0012 0.0013 -0.0034 7547 GLN 56 HE21 -0.0017 0.0015 -0.0036 7548 GLN 56 HE22 -0.0019 0.0016 -0.0038 7549 GLY 57 N -0.0008 0.0012 -0.0034 7550 GLY 57 CA -0.0008 0.0012 -0.0034 7551 GLY 57 C -0.0006 0.0011 -0.0033 7552 GLY 57 O -0.0005 0.0011 -0.0033 7553 GLY 57 H -0.0009 0.0012 -0.0033 7554 GLY 57 HA2 -0.0010 0.0012 -0.0032 7555 GLY 57 HA3 -0.0009 0.0013 -0.0036 7556 ASP 58 N -0.0004 0.0011 -0.0032 7557 ASP 58 CA -0.0002 0.0010 -0.0031 7558 ASP 58 C -0.0002 0.0009 -0.0028 7559 ASP 58 O -0.0003 0.0009 -0.0027 7560 ASP 58 CB 0.0001 0.0010 -0.0032 7561 ASP 58 CG 0.0003 0.0009 -0.0033 7562 ASP 58 OD1 0.0004 0.0009 -0.0032 7563 ASP 58 OD2 0.0005 0.0009 -0.0034 7564 ASP 58 H -0.0004 0.0011 -0.0032 7565 ASP 58 HA -0.0001 0.0010 -0.0032 7566 ASP 58 HB2 0.0000 0.0010 -0.0034 7567 ASP 58 HB3 0.0001 0.0009 -0.0030 7568 LEU 59 N -0.0000 0.0009 -0.0027 7569 LEU 59 CA -0.0000 0.0008 -0.0024 7570 LEU 59 C 0.0002 0.0007 -0.0023 7571 LEU 59 O 0.0004 0.0007 -0.0024 7572 LEU 59 CB 0.0000 0.0008 -0.0024 7573 LEU 59 CG 0.0001 0.0007 -0.0021 7574 LEU 59 CD1 -0.0001 0.0007 -0.0019 7575 LEU 59 CD2 0.0002 0.0006 -0.0021 7576 LEU 59 H 0.0001 0.0009 -0.0029 7577 LEU 59 HA -0.0002 0.0008 -0.0024 7578 LEU 59 HB2 -0.0002 0.0008 -0.0024 7579 LEU 59 HB3 0.0002 0.0008 -0.0025 7580 LEU 59 HG 0.0002 0.0006 -0.0021 7581 LEU 59 HD11 -0.0002 0.0007 -0.0019 7582 LEU 59 HD12 -0.0001 0.0006 -0.0017 7583 LEU 59 HD13 -0.0003 0.0007 -0.0020 7584 LEU 59 HD21 0.0003 0.0006 -0.0019 7585 LEU 59 HD22 0.0004 0.0006 -0.0022 7586 LEU 59 HD23 0.0001 0.0007 -0.0022 7587 ILE 60 N 0.0001 0.0007 -0.0021 7588 ILE 60 CA 0.0003 0.0006 -0.0020 7589 ILE 60 C 0.0005 0.0005 -0.0018 7590 ILE 60 O 0.0003 0.0005 -0.0016 7591 ILE 60 CB 0.0002 0.0006 -0.0018 7592 ILE 60 CG1 0.0001 0.0007 -0.0020 7593 ILE 60 CG2 0.0004 0.0005 -0.0017 7594 ILE 60 CD1 -0.0002 0.0007 -0.0022 7595 ILE 60 H -0.0000 0.0007 -0.0020 7596 ILE 60 HA 0.0005 0.0006 -0.0021 7597 ILE 60 HB 0.0000 0.0006 -0.0017 7598 ILE 60 HG12 0.0001 0.0006 -0.0020 7599 ILE 60 HG13 0.0002 0.0007 -0.0022 7600 ILE 60 HG21 0.0003 0.0005 -0.0016 7601 ILE 60 HG22 0.0006 0.0005 -0.0018 7602 ILE 60 HG23 0.0005 0.0004 -0.0015 7603 ILE 60 HD11 -0.0003 0.0007 -0.0020 7604 ILE 60 HD12 -0.0001 0.0008 -0.0023 7605 ILE 60 HD13 -0.0002 0.0008 -0.0023 7606 THR 61 N -0.0001 0.0025 -0.0034 7607 THR 61 CA -0.0001 0.0026 -0.0035 7608 THR 61 C 0.0004 0.0022 -0.0027 7609 THR 61 O 0.0002 0.0018 -0.0026 7610 THR 61 CB 0.0002 0.0036 -0.0039 7611 THR 61 OG1 0.0010 0.0041 -0.0034 7612 THR 61 CG2 -0.0003 0.0041 -0.0046 7613 THR 61 H 0.0004 0.0029 -0.0032 7614 THR 61 HA -0.0007 0.0023 -0.0038 7615 THR 61 HB 0.0001 0.0037 -0.0040 7616 THR 61 HG1 0.0013 0.0040 -0.0031 7617 THR 61 HG21 -0.0002 0.0041 -0.0045 7618 THR 61 HG22 -0.0009 0.0037 -0.0050 7619 THR 61 HG23 -0.0001 0.0048 -0.0050 7620 HIS 62 N 0.0011 0.0023 -0.0021 7621 HIS 62 CA 0.0017 0.0020 -0.0014 7622 HIS 62 C 0.0020 0.0016 -0.0008 7623 HIS 62 O 0.0020 0.0018 -0.0009 7624 HIS 62 CB 0.0024 0.0027 -0.0012 7625 HIS 62 CG 0.0021 0.0031 -0.0017 7626 HIS 62 ND1 0.0019 0.0038 -0.0025 7627 HIS 62 CD2 0.0020 0.0028 -0.0016 7628 HIS 62 CE1 0.0017 0.0039 -0.0027 7629 HIS 62 NE2 0.0017 0.0033 -0.0023 7630 HIS 62 H 0.0012 0.0026 -0.0022 7631 HIS 62 HA 0.0014 0.0014 -0.0013 7632 HIS 62 HB2 0.0026 0.0033 -0.0014 7633 HIS 62 HB3 0.0028 0.0025 -0.0007 7634 HIS 62 HD2 0.0021 0.0023 -0.0011 7635 HIS 62 HE1 0.0015 0.0044 -0.0033 7636 HIS 62 HE2 0.0017 0.0034 -0.0023 7637 VAL 63 N 0.0023 0.0010 -0.0001 7638 VAL 63 CA 0.0027 0.0007 0.0005 7639 VAL 63 C 0.0035 0.0006 0.0013 7640 VAL 63 O 0.0034 0.0001 0.0016 7641 VAL 63 CB 0.0022 -0.0003 0.0007 7642 VAL 63 CG1 0.0018 -0.0009 0.0008 7643 VAL 63 CG2 0.0026 -0.0006 0.0013 7644 VAL 63 H 0.0023 0.0009 0.0000 7645 VAL 63 HA 0.0029 0.0011 0.0004 7646 VAL 63 HB 0.0017 -0.0002 0.0001 7647 VAL 63 HG11 0.0015 -0.0007 0.0004 7648 VAL 63 HG12 0.0014 -0.0015 0.0009 7649 VAL 63 HG13 0.0023 -0.0010 0.0013 7650 VAL 63 HG21 0.0022 -0.0013 0.0015 7651 VAL 63 HG22 0.0027 -0.0002 0.0011 7652 VAL 63 HG23 0.0032 -0.0005 0.0018 7653 ASN 64 N 0.0042 0.0012 0.0015 7654 ASN 64 CA 0.0049 0.0012 0.0022 7655 ASN 64 C 0.0051 0.0014 0.0022 7656 ASN 64 O 0.0055 0.0012 0.0028 7657 ASN 64 CB 0.0050 0.0003 0.0029 7658 ASN 64 CG 0.0058 0.0003 0.0036 7659 ASN 64 OD1 0.0062 0.0010 0.0035 7660 ASN 64 ND2 0.0060 -0.0003 0.0043 7661 ASN 64 H 0.0042 0.0016 0.0013 7662 ASN 64 HA 0.0054 0.0017 0.0023 7663 ASN 64 HB2 0.0045 -0.0001 0.0027 7664 ASN 64 HB3 0.0049 -0.0001 0.0031 7665 ASN 64 HD21 0.0057 -0.0008 0.0043 7666 ASN 64 HD22 0.0065 -0.0003 0.0047 7667 GLY 65 N 0.0047 0.0019 0.0015 7668 GLY 65 CA 0.0048 0.0022 0.0014 7669 GLY 65 C 0.0042 0.0014 0.0014 7670 GLY 65 O 0.0044 0.0012 0.0017 7671 GLY 65 H 0.0044 0.0021 0.0011 7672 GLY 65 HA2 0.0046 0.0027 0.0008 7673 GLY 65 HA3 0.0054 0.0023 0.0018 7674 GLU 66 N 0.0035 0.0010 0.0010 7675 GLU 66 CA 0.0028 0.0003 0.0009 7676 GLU 66 C 0.0020 0.0003 0.0002 7677 GLU 66 O 0.0018 0.0001 0.0001 7678 GLU 66 CB 0.0029 -0.0006 0.0016 7679 GLU 66 CG 0.0027 -0.0012 0.0019 7680 GLU 66 CD 0.0032 -0.0008 0.0020 7681 GLU 66 OE1 0.0029 -0.0005 0.0015 7682 GLU 66 OE2 0.0038 -0.0009 0.0027 7683 GLU 66 H 0.0033 0.0012 0.0007 7684 GLU 66 HA 0.0029 0.0004 0.0009 7685 GLU 66 HB2 0.0035 -0.0004 0.0020 7686 GLU 66 HB3 0.0025 -0.0009 0.0014 7687 GLU 66 HG2 0.0028 -0.0018 0.0024 7688 GLU 66 HG3 0.0021 -0.0014 0.0014 7689 PRO 67 N 0.0002 0.0006 -0.0008 7690 PRO 67 CA -0.0001 0.0006 -0.0010 7691 PRO 67 C -0.0002 0.0004 -0.0010 7692 PRO 67 O -0.0002 0.0001 -0.0009 7693 PRO 67 CB -0.0004 0.0006 -0.0011 7694 PRO 67 CG -0.0002 0.0005 -0.0010 7695 PRO 67 CD 0.0002 0.0006 -0.0008 7696 PRO 67 HA -0.0001 0.0009 -0.0010 7697 PRO 67 HB2 -0.0006 0.0004 -0.0011 7698 PRO 67 HB3 -0.0004 0.0009 -0.0012 7699 PRO 67 HG2 -0.0002 0.0002 -0.0009 7700 PRO 67 HG3 -0.0002 0.0006 -0.0010 7701 PRO 67 HD2 0.0003 0.0003 -0.0007 7702 PRO 67 HD3 0.0003 0.0008 -0.0008 7703 VAL 68 N -0.0003 0.0005 -0.0010 7704 VAL 68 CA -0.0004 0.0003 -0.0011 7705 VAL 68 C -0.0008 0.0002 -0.0012 7706 VAL 68 O -0.0010 0.0000 -0.0012 7707 VAL 68 CB -0.0004 0.0005 -0.0011 7708 VAL 68 CG1 0.0000 0.0006 -0.0009 7709 VAL 68 CG2 -0.0006 0.0009 -0.0012 7710 VAL 68 H -0.0003 0.0008 -0.0011 7711 VAL 68 HA -0.0003 0.0001 -0.0010 7712 VAL 68 HB -0.0004 0.0004 -0.0011 7713 VAL 68 HG11 0.0001 0.0008 -0.0009 7714 VAL 68 HG12 0.0001 0.0004 -0.0008 7715 VAL 68 HG13 0.0001 0.0008 -0.0009 7716 VAL 68 HG21 -0.0008 0.0008 -0.0013 7717 VAL 68 HG22 -0.0005 0.0011 -0.0012 7718 VAL 68 HG23 -0.0005 0.0010 -0.0012 7719 HIS 69 N -0.0009 0.0004 -0.0013 7720 HIS 69 CA -0.0013 0.0003 -0.0014 7721 HIS 69 C -0.0014 -0.0001 -0.0014 7722 HIS 69 O -0.0014 -0.0002 -0.0013 7723 HIS 69 CB -0.0014 0.0006 -0.0015 7724 HIS 69 CG -0.0013 0.0010 -0.0016 7725 HIS 69 ND1 -0.0015 0.0012 -0.0017 7726 HIS 69 CD2 -0.0012 0.0012 -0.0015 7727 HIS 69 CE1 -0.0015 0.0015 -0.0017 7728 HIS 69 NE2 -0.0012 0.0015 -0.0016 7729 HIS 69 H -0.0008 0.0005 -0.0013 7730 HIS 69 HA -0.0014 0.0004 -0.0015 7731 HIS 69 HB2 -0.0012 0.0005 -0.0014 7732 HIS 69 HB3 -0.0016 0.0005 -0.0016 7733 HIS 69 HD2 -0.0010 0.0011 -0.0014 7734 HIS 69 HE1 -0.0016 0.0017 -0.0018 7735 HIS 69 HE2 -0.0012 0.0017 -0.0016 7736 GLY 70 N -0.0015 -0.0002 -0.0014 7737 GLY 70 CA -0.0016 -0.0006 -0.0014 7738 GLY 70 C -0.0014 -0.0009 -0.0012 7739 GLY 70 O -0.0015 -0.0012 -0.0012 7740 GLY 70 H -0.0016 -0.0001 -0.0014 7741 GLY 70 HA2 -0.0019 -0.0007 -0.0015 7742 GLY 70 HA3 -0.0016 -0.0007 -0.0014 7743 LEU 71 N -0.0011 -0.0007 -0.0012 7744 LEU 71 CA -0.0009 -0.0009 -0.0010 7745 LEU 71 C -0.0011 -0.0010 -0.0011 7746 LEU 71 O -0.0012 -0.0007 -0.0012 7747 LEU 71 CB -0.0006 -0.0007 -0.0009 7748 LEU 71 CG -0.0004 -0.0007 -0.0008 7749 LEU 71 CD1 -0.0000 -0.0005 -0.0007 7750 LEU 71 CD2 -0.0004 -0.0010 -0.0008 7751 LEU 71 H -0.0011 -0.0004 -0.0012 7752 LEU 71 HA -0.0009 -0.0012 -0.0010 7753 LEU 71 HB2 -0.0006 -0.0004 -0.0010 7754 LEU 71 HB3 -0.0004 -0.0008 -0.0008 7755 LEU 71 HG -0.0005 -0.0005 -0.0009 7756 LEU 71 HD11 0.0001 -0.0005 -0.0006 7757 LEU 71 HD12 0.0001 -0.0007 -0.0006 7758 LEU 71 HD13 -0.0000 -0.0003 -0.0008 7759 LEU 71 HD21 -0.0006 -0.0011 -0.0008 7760 LEU 71 HD22 -0.0003 -0.0012 -0.0007 7761 LEU 71 HD23 -0.0002 -0.0010 -0.0007 7762 VAL 72 N -0.0010 -0.0013 -0.0010 7763 VAL 72 CA -0.0012 -0.0014 -0.0010 7764 VAL 72 C -0.0009 -0.0012 -0.0010 7765 VAL 72 O -0.0006 -0.0011 -0.0009 7766 VAL 72 CB -0.0012 -0.0018 -0.0010 7767 VAL 72 CG1 -0.0009 -0.0019 -0.0008 7768 VAL 72 CG2 -0.0015 -0.0019 -0.0011 7769 VAL 72 H -0.0009 -0.0015 -0.0009 7770 VAL 72 HA -0.0014 -0.0012 -0.0012 7771 VAL 72 HB -0.0013 -0.0019 -0.0010 7772 VAL 72 HG11 -0.0009 -0.0019 -0.0008 7773 VAL 72 HG12 -0.0007 -0.0018 -0.0007 7774 VAL 72 HG13 -0.0010 -0.0022 -0.0008 7775 VAL 72 HG21 -0.0017 -0.0017 -0.0012 7776 VAL 72 HG22 -0.0015 -0.0018 -0.0011 7777 VAL 72 HG23 -0.0016 -0.0021 -0.0011 7778 HIS 73 N -0.0017 -0.0016 0.0003 7779 HIS 73 CA -0.0018 -0.0016 0.0003 7780 HIS 73 C -0.0016 -0.0016 0.0006 7781 HIS 73 O -0.0014 -0.0015 0.0006 7782 HIS 73 CB -0.0022 -0.0018 0.0002 7783 HIS 73 CG -0.0023 -0.0018 0.0000 7784 HIS 73 ND1 -0.0023 -0.0016 -0.0004 7785 HIS 73 CD2 -0.0023 -0.0019 0.0002 7786 HIS 73 CE1 -0.0024 -0.0016 -0.0004 7787 HIS 73 NE2 -0.0024 -0.0018 -0.0001 7788 HIS 73 H -0.0020 -0.0017 0.0002 7789 HIS 73 HA -0.0017 -0.0014 0.0000 7790 HIS 73 HB2 -0.0024 -0.0018 -0.0000 7791 HIS 73 HB3 -0.0023 -0.0020 0.0005 7792 HIS 73 HD1 -0.0023 -0.0014 -0.0006 7793 HIS 73 HD2 -0.0023 -0.0021 0.0005 7794 HIS 73 HE1 -0.0024 -0.0015 -0.0007 7795 THR 74 N -0.0016 -0.0019 0.0010 7796 THR 74 CA -0.0014 -0.0019 0.0013 7797 THR 74 C -0.0010 -0.0018 0.0015 7798 THR 74 O -0.0008 -0.0017 0.0018 7799 THR 74 CB -0.0017 -0.0023 0.0016 7800 THR 74 OG1 -0.0016 -0.0023 0.0018 7801 THR 74 CG2 -0.0021 -0.0024 0.0014 7802 THR 74 H -0.0018 -0.0020 0.0010 7803 THR 74 HA -0.0015 -0.0019 0.0013 7804 THR 74 HB -0.0016 -0.0024 0.0019 7805 THR 74 HG1 -0.0017 -0.0025 0.0020 7806 THR 74 HG21 -0.0022 -0.0025 0.0014 7807 THR 74 HG22 -0.0022 -0.0026 0.0016 7808 THR 74 HG23 -0.0021 -0.0023 0.0011 7809 GLU 75 N -0.0009 -0.0016 0.0014 7810 GLU 75 CA -0.0005 -0.0014 0.0015 7811 GLU 75 C -0.0003 -0.0012 0.0014 7812 GLU 75 O 0.0000 -0.0011 0.0016 7813 GLU 75 CB -0.0005 -0.0014 0.0014 7814 GLU 75 CG -0.0006 -0.0016 0.0017 7815 GLU 75 CD -0.0005 -0.0015 0.0017 7816 GLU 75 OE1 -0.0008 -0.0015 0.0014 7817 GLU 75 OE2 -0.0003 -0.0014 0.0019 7818 GLU 75 H -0.0011 -0.0016 0.0012 7819 GLU 75 HA -0.0005 -0.0016 0.0019 7820 GLU 75 HB2 -0.0007 -0.0013 0.0012 7821 GLU 75 HB3 -0.0002 -0.0012 0.0014 7822 GLU 75 HG2 -0.0004 -0.0016 0.0020 7823 GLU 75 HG3 -0.0009 -0.0018 0.0018 7824 VAL 76 N -0.0004 -0.0010 0.0010 7825 VAL 76 CA -0.0001 -0.0008 0.0008 7826 VAL 76 C -0.0001 -0.0009 0.0010 7827 VAL 76 O 0.0002 -0.0007 0.0012 7828 VAL 76 CB -0.0003 -0.0006 0.0004 7829 VAL 76 CG1 -0.0002 -0.0005 0.0002 7830 VAL 76 CG2 -0.0007 -0.0008 0.0003 7831 VAL 76 H -0.0006 -0.0011 0.0008 7832 VAL 76 HA 0.0001 -0.0006 0.0009 7833 VAL 76 HB -0.0001 -0.0005 0.0003 7834 VAL 76 HG11 -0.0004 -0.0006 0.0003 7835 VAL 76 HG12 0.0001 -0.0003 0.0003 7836 VAL 76 HG13 -0.0003 -0.0003 -0.0001 7837 VAL 76 HG21 -0.0008 -0.0011 0.0005 7838 VAL 76 HG22 -0.0008 -0.0008 0.0000 7839 VAL 76 HG23 -0.0007 -0.0008 0.0002 7840 VAL 77 N -0.0004 -0.0011 0.0011 7841 VAL 77 CA -0.0004 -0.0012 0.0013 7842 VAL 77 C -0.0001 -0.0013 0.0017 7843 VAL 77 O 0.0001 -0.0012 0.0018 7844 VAL 77 CB -0.0008 -0.0015 0.0013 7845 VAL 77 CG1 -0.0008 -0.0016 0.0015 7846 VAL 77 CG2 -0.0011 -0.0015 0.0009 7847 VAL 77 H -0.0006 -0.0012 0.0010 7848 VAL 77 HA -0.0003 -0.0011 0.0011 7849 VAL 77 HB -0.0009 -0.0016 0.0015 7850 VAL 77 HG11 -0.0006 -0.0016 0.0018 7851 VAL 77 HG12 -0.0011 -0.0019 0.0016 7852 VAL 77 HG13 -0.0008 -0.0015 0.0013 7853 VAL 77 HG21 -0.0013 -0.0016 0.0009 7854 VAL 77 HG22 -0.0010 -0.0013 0.0007 7855 VAL 77 HG23 -0.0011 -0.0014 0.0008 7856 GLU 78 N -0.0002 -0.0014 0.0019 7857 GLU 78 CA 0.0001 -0.0015 0.0023 7858 GLU 78 C 0.0005 -0.0012 0.0023 7859 GLU 78 O 0.0007 -0.0011 0.0026 7860 GLU 78 CB -0.0001 -0.0016 0.0025 7861 GLU 78 CG -0.0004 -0.0020 0.0027 7862 GLU 78 CD -0.0004 -0.0022 0.0030 7863 GLU 78 OE1 -0.0001 -0.0021 0.0032 7864 GLU 78 OE2 -0.0007 -0.0024 0.0031 7865 GLU 78 H -0.0004 -0.0015 0.0018 7866 GLU 78 HA 0.0000 -0.0016 0.0025 7867 GLU 78 HB2 -0.0001 -0.0016 0.0023 7868 GLU 78 HB3 0.0002 -0.0016 0.0027 7869 GLU 78 HG2 -0.0003 -0.0020 0.0028 7870 GLU 78 HG3 -0.0006 -0.0020 0.0025 7871 LEU 79 N 0.0007 -0.0024 0.0039 7872 LEU 79 CA 0.0016 -0.0016 0.0038 7873 LEU 79 C 0.0020 -0.0013 0.0039 7874 LEU 79 O 0.0028 -0.0009 0.0044 7875 LEU 79 CB 0.0015 -0.0011 0.0028 7876 LEU 79 CG 0.0022 -0.0006 0.0029 7877 LEU 79 CD1 0.0031 -0.0001 0.0036 7878 LEU 79 CD2 0.0018 -0.0011 0.0034 7879 LEU 79 H 0.0002 -0.0026 0.0034 7880 LEU 79 HA 0.0020 -0.0016 0.0045 7881 LEU 79 HB2 0.0009 -0.0014 0.0024 7882 LEU 79 HB3 0.0017 -0.0006 0.0023 7883 LEU 79 HG 0.0022 -0.0001 0.0022 7884 LEU 79 HD11 0.0036 0.0003 0.0036 7885 LEU 79 HD12 0.0031 -0.0005 0.0044 7886 LEU 79 HD13 0.0033 0.0003 0.0032 7887 LEU 79 HD21 0.0023 -0.0008 0.0035 7888 LEU 79 HD22 0.0012 -0.0015 0.0029 7889 LEU 79 HD23 0.0018 -0.0016 0.0042 7890 ILE 80 N 0.0015 -0.0014 0.0034 7891 ILE 80 CA 0.0018 -0.0012 0.0033 7892 ILE 80 C 0.0019 -0.0016 0.0044 7893 ILE 80 O 0.0027 -0.0012 0.0048 7894 ILE 80 CB 0.0011 -0.0013 0.0025 7895 ILE 80 CG1 0.0011 -0.0007 0.0014 7896 ILE 80 CG2 0.0012 -0.0013 0.0027 7897 ILE 80 CD1 0.0002 -0.0010 0.0005 7898 ILE 80 H 0.0008 -0.0018 0.0029 7899 ILE 80 HA 0.0024 -0.0005 0.0031 7900 ILE 80 HB 0.0004 -0.0019 0.0025 7901 ILE 80 HG12 0.0016 -0.0001 0.0012 7902 ILE 80 HG13 0.0013 -0.0005 0.0014 7903 ILE 80 HG21 0.0009 -0.0019 0.0033 7904 ILE 80 HG22 0.0008 -0.0012 0.0020 7905 ILE 80 HG23 0.0019 -0.0008 0.0029 7906 ILE 80 HD11 0.0003 -0.0005 -0.0002 7907 ILE 80 HD12 0.0001 -0.0011 0.0005 7908 ILE 80 HD13 -0.0003 -0.0015 0.0007 7909 LEU 81 N 0.0013 -0.0024 0.0048 7910 LEU 81 CA 0.0014 -0.0029 0.0059 7911 LEU 81 C 0.0022 -0.0027 0.0067 7912 LEU 81 O 0.0026 -0.0027 0.0075 7913 LEU 81 CB 0.0005 -0.0038 0.0061 7914 LEU 81 CG -0.0003 -0.0041 0.0054 7915 LEU 81 CD1 -0.0012 -0.0050 0.0056 7916 LEU 81 CD2 -0.0002 -0.0040 0.0054 7917 LEU 81 H 0.0007 -0.0027 0.0044 7918 LEU 81 HA 0.0015 -0.0027 0.0058 7919 LEU 81 HB2 0.0004 -0.0039 0.0061 7920 LEU 81 HB3 0.0006 -0.0041 0.0069 7921 LEU 81 HG -0.0004 -0.0038 0.0046 7922 LEU 81 HD11 -0.0013 -0.0051 0.0056 7923 LEU 81 HD12 -0.0017 -0.0052 0.0051 7924 LEU 81 HD13 -0.0011 -0.0054 0.0064 7925 LEU 81 HD21 0.0003 -0.0034 0.0050 7926 LEU 81 HD22 0.0000 -0.0042 0.0062 7927 LEU 81 HD23 -0.0008 -0.0043 0.0050 7928 LYS 82 N 0.0023 -0.0024 0.0066 7929 LYS 82 CA 0.0030 -0.0022 0.0073 7930 LYS 82 C 0.0039 -0.0015 0.0074 7931 LYS 82 O 0.0045 -0.0014 0.0082 7932 LYS 82 CB 0.0030 -0.0020 0.0069 7933 LYS 82 CG 0.0035 -0.0021 0.0077 7934 LYS 82 CD 0.0038 -0.0015 0.0072 7935 LYS 82 CE 0.0031 -0.0018 0.0066 7936 LYS 82 NZ 0.0029 -0.0024 0.0073 7937 LYS 82 H 0.0019 -0.0024 0.0059 7938 LYS 82 HA 0.0029 -0.0027 0.0080 7939 LYS 82 HB2 0.0023 -0.0025 0.0066 7940 LYS 82 HB3 0.0033 -0.0014 0.0063 7941 LYS 82 HG2 0.0040 -0.0019 0.0083 7942 LYS 82 HG3 0.0030 -0.0027 0.0081 7943 LYS 82 HD2 0.0042 -0.0009 0.0067 7944 LYS 82 HD3 0.0043 -0.0014 0.0079 7945 LYS 82 HE2 0.0025 -0.0021 0.0063 7946 LYS 82 HE3 0.0033 -0.0013 0.0060 7947 LYS 82 HZ1 0.0026 -0.0029 0.0078 7948 LYS 82 HZ2 0.0034 -0.0021 0.0077 7949 LYS 82 HZ3 0.0024 -0.0025 0.0068 7950 SER 83 N 0.0040 -0.0009 0.0065 7951 SER 83 CA 0.0049 -0.0001 0.0065 7952 SER 83 C 0.0052 -0.0003 0.0072 7953 SER 83 O 0.0059 -0.0000 0.0079 7954 SER 83 CB 0.0048 0.0004 0.0054 7955 SER 83 OG 0.0056 0.0011 0.0053 7956 SER 83 H 0.0035 -0.0010 0.0059 7957 SER 83 HA 0.0054 0.0002 0.0067 7958 SER 83 HB2 0.0046 0.0005 0.0048 7959 SER 83 HB3 0.0043 0.0001 0.0051 7960 SER 83 HG 0.0055 0.0011 0.0051 7961 GLY 84 N 0.0046 -0.0008 0.0072 7962 GLY 84 CA 0.0048 -0.0010 0.0079 7963 GLY 84 C 0.0045 -0.0010 0.0074 7964 GLY 84 O 0.0037 -0.0013 0.0067 7965 GLY 84 H 0.0040 -0.0010 0.0066 7966 GLY 84 HA2 0.0045 -0.0016 0.0085 7967 GLY 84 HA3 0.0055 -0.0006 0.0082 7968 ASN 85 N 0.0059 -0.0029 0.0081 7969 ASN 85 CA 0.0058 -0.0027 0.0076 7970 ASN 85 C 0.0056 -0.0019 0.0064 7971 ASN 85 O 0.0054 -0.0017 0.0059 7972 ASN 85 CB 0.0067 -0.0024 0.0082 7973 ASN 85 CG 0.0077 -0.0016 0.0082 7974 ASN 85 OD1 0.0080 -0.0008 0.0075 7975 ASN 85 ND2 0.0082 -0.0018 0.0090 7976 ASN 85 H 0.0066 -0.0027 0.0086 7977 ASN 85 HA 0.0051 -0.0033 0.0076 7978 ASN 85 HB2 0.0065 -0.0022 0.0078 7979 ASN 85 HB3 0.0067 -0.0030 0.0090 7980 ASN 85 HD21 0.0080 -0.0024 0.0095 7981 ASN 85 HD22 0.0089 -0.0013 0.0090 7982 LYS 86 N 0.0057 -0.0016 0.0061 7983 LYS 86 CA 0.0056 -0.0009 0.0050 7984 LYS 86 C 0.0054 -0.0008 0.0047 7985 LYS 86 O 0.0053 -0.0013 0.0053 7986 LYS 86 CB 0.0066 0.0000 0.0048 7987 LYS 86 CG 0.0076 0.0002 0.0056 7988 LYS 86 CD 0.0085 0.0012 0.0053 7989 LYS 86 CE 0.0094 0.0013 0.0061 7990 LYS 86 NZ 0.0093 0.0011 0.0062 7991 LYS 86 H 0.0059 -0.0018 0.0065 7992 LYS 86 HA 0.0050 -0.0010 0.0045 7993 LYS 86 HB2 0.0065 0.0006 0.0041 7994 LYS 86 HB3 0.0067 0.0001 0.0049 7995 LYS 86 HG2 0.0077 -0.0002 0.0064 7996 LYS 86 HG3 0.0074 -0.0000 0.0057 7997 LYS 86 HD2 0.0083 0.0016 0.0046 7998 LYS 86 HD3 0.0086 0.0013 0.0053 7999 LYS 86 HE2 0.0101 0.0020 0.0058 8000 LYS 86 HE3 0.0096 0.0009 0.0068 8001 LYS 86 HZ1 0.0087 0.0004 0.0066 8002 LYS 86 HZ2 0.0099 0.0013 0.0066 8003 LYS 86 HZ3 0.0090 0.0014 0.0055 8004 VAL 87 N 0.0052 -0.0002 0.0037 8005 VAL 87 CA 0.0049 -0.0001 0.0033 8006 VAL 87 C 0.0050 0.0007 0.0022 8007 VAL 87 O 0.0048 0.0011 0.0016 8008 VAL 87 CB 0.0038 -0.0009 0.0032 8009 VAL 87 CG1 0.0030 -0.0010 0.0024 8010 VAL 87 CG2 0.0036 -0.0009 0.0030 8011 VAL 87 H 0.0052 0.0002 0.0032 8012 VAL 87 HA 0.0054 -0.0001 0.0038 8013 VAL 87 HB 0.0038 -0.0015 0.0040 8014 VAL 87 HG11 0.0031 -0.0004 0.0017 8015 VAL 87 HG12 0.0031 -0.0011 0.0027 8016 VAL 87 HG13 0.0022 -0.0015 0.0024 8017 VAL 87 HG21 0.0040 -0.0011 0.0037 8018 VAL 87 HG22 0.0038 -0.0003 0.0023 8019 VAL 87 HG23 0.0028 -0.0014 0.0028 8020 ALA 88 N 0.0052 0.0011 0.0020 8021 ALA 88 CA 0.0053 0.0019 0.0010 8022 ALA 88 C 0.0043 0.0017 0.0002 8023 ALA 88 O 0.0042 0.0015 0.0003 8024 ALA 88 CB 0.0062 0.0025 0.0012 8025 ALA 88 H 0.0054 0.0008 0.0025 8026 ALA 88 HA 0.0055 0.0023 0.0006 8027 ALA 88 HB1 0.0069 0.0027 0.0017 8028 ALA 88 HB2 0.0063 0.0031 0.0004 8029 ALA 88 HB3 0.0061 0.0021 0.0016 8030 ILE 89 N 0.0037 0.0017 -0.0005 8031 ILE 89 CA 0.0027 0.0016 -0.0012 8032 ILE 89 C 0.0029 0.0024 -0.0022 8033 ILE 89 O 0.0031 0.0030 -0.0028 8034 ILE 89 CB 0.0019 0.0011 -0.0015 8035 ILE 89 CG1 0.0009 0.0010 -0.0024 8036 ILE 89 CG2 0.0022 0.0016 -0.0018 8037 ILE 89 CD1 -0.0001 0.0002 -0.0024 8038 ILE 89 H 0.0039 0.0019 -0.0005 8039 ILE 89 HA 0.0025 0.0011 -0.0009 8040 ILE 89 HB 0.0017 0.0004 -0.0008 8041 ILE 89 HG12 0.0010 0.0016 -0.0031 8042 ILE 89 HG13 0.0008 0.0008 -0.0023 8043 ILE 89 HG21 0.0028 0.0016 -0.0012 8044 ILE 89 HG22 0.0015 0.0013 -0.0021 8045 ILE 89 HG23 0.0024 0.0023 -0.0025 8046 ILE 89 HD11 -0.0007 0.0003 -0.0032 8047 ILE 89 HD12 0.0000 0.0002 -0.0023 8048 ILE 89 HD13 -0.0003 -0.0004 -0.0018 8049 SER 90 N 0.0028 0.0025 -0.0024 8050 SER 90 CA 0.0030 0.0033 -0.0033 8051 SER 90 C 0.0020 0.0032 -0.0042 8052 SER 90 O 0.0013 0.0027 -0.0042 8053 SER 90 CB 0.0035 0.0035 -0.0030 8054 SER 90 OG 0.0042 0.0044 -0.0034 8055 SER 90 H 0.0027 0.0020 -0.0019 8056 SER 90 HA 0.0035 0.0039 -0.0035 8057 SER 90 HB2 0.0038 0.0031 -0.0022 8058 SER 90 HB3 0.0029 0.0032 -0.0033 8059 SER 90 HG 0.0042 0.0045 -0.0036 8060 THR 91 N -0.0005 0.0021 -0.0058 8061 THR 91 CA 0.0006 0.0023 -0.0042 8062 THR 91 C -0.0002 0.0013 -0.0027 8063 THR 91 O -0.0017 0.0005 -0.0029 8064 THR 91 CB 0.0017 0.0027 -0.0036 8065 THR 91 OG1 0.0007 0.0020 -0.0032 8066 THR 91 CG2 0.0027 0.0037 -0.0050 8067 THR 91 H -0.0012 0.0016 -0.0058 8068 THR 91 HA 0.0014 0.0028 -0.0046 8069 THR 91 HB 0.0024 0.0028 -0.0024 8070 THR 91 HG1 0.0010 0.0019 -0.0020 8071 THR 91 HG21 0.0020 0.0036 -0.0062 8072 THR 91 HG22 0.0035 0.0042 -0.0053 8073 THR 91 HG23 0.0035 0.0040 -0.0045 8074 THR 92 N 0.0006 0.0015 -0.0013 8075 THR 92 CA -0.0001 0.0006 0.0002 8076 THR 92 C 0.0000 0.0002 0.0018 8077 THR 92 O 0.0013 0.0007 0.0028 8078 THR 92 CB 0.0006 0.0008 0.0007 8079 THR 92 OG1 -0.0001 0.0000 0.0023 8080 THR 92 CG2 0.0024 0.0018 0.0011 8081 THR 92 H 0.0018 0.0021 -0.0012 8082 THR 92 HA -0.0014 0.0000 -0.0003 8083 THR 92 HB 0.0002 0.0009 -0.0004 8084 THR 92 HG1 0.0007 0.0002 0.0033 8085 THR 92 HG21 0.0028 0.0020 0.0014 8086 THR 92 HG22 0.0028 0.0017 0.0022 8087 THR 92 HG23 0.0028 0.0024 -0.0001 8088 PRO 93 N -0.0013 -0.0006 0.0021 8089 PRO 93 CA -0.0013 -0.0011 0.0036 8090 PRO 93 C -0.0008 -0.0013 0.0054 8091 PRO 93 O -0.0005 -0.0011 0.0055 8092 PRO 93 CB -0.0031 -0.0021 0.0035 8093 PRO 93 CG -0.0037 -0.0019 0.0016 8094 PRO 93 CD -0.0028 -0.0012 0.0009 8095 PRO 93 HA -0.0006 -0.0006 0.0035 8096 PRO 93 HB2 -0.0037 -0.0027 0.0043 8097 PRO 93 HB3 -0.0031 -0.0022 0.0040 8098 PRO 93 HG2 -0.0050 -0.0026 0.0015 8099 PRO 93 HG3 -0.0035 -0.0016 0.0009 8100 PRO 93 HD2 -0.0035 -0.0016 0.0010 8101 PRO 93 HD3 -0.0027 -0.0007 -0.0005 8102 LEU 94 N -0.0007 -0.0016 0.0069 8103 LEU 94 CA -0.0002 -0.0018 0.0087 8104 LEU 94 C -0.0014 -0.0027 0.0092 8105 LEU 94 O -0.0028 -0.0033 0.0084 8106 LEU 94 CB -0.0000 -0.0021 0.0100 8107 LEU 94 CG -0.0006 -0.0022 0.0093 8108 LEU 94 CD1 -0.0024 -0.0032 0.0090 8109 LEU 94 CD2 0.0002 -0.0021 0.0105 8110 LEU 94 H -0.0009 -0.0017 0.0067 8111 LEU 94 HA 0.0010 -0.0012 0.0087 8112 LEU 94 HB2 -0.0007 -0.0028 0.0111 8113 LEU 94 HB3 0.0012 -0.0015 0.0106 8114 LEU 94 HG -0.0001 -0.0016 0.0080 8115 LEU 94 HD11 -0.0028 -0.0031 0.0076 8116 LEU 94 HD12 -0.0027 -0.0035 0.0092 8117 LEU 94 HD13 -0.0028 -0.0037 0.0099 8118 LEU 94 HD21 -0.0003 -0.0023 0.0100 8119 LEU 94 HD22 0.0014 -0.0014 0.0106 8120 LEU 94 HD23 -0.0002 -0.0027 0.0119 8121 GLU 95 N -0.0009 -0.0027 0.0106 8122 GLU 95 CA -0.0019 -0.0035 0.0112 8123 GLU 95 C -0.0013 -0.0037 0.0132 8124 GLU 95 O 0.0002 -0.0031 0.0138 8125 GLU 95 CB -0.0020 -0.0033 0.0100 8126 GLU 95 CG -0.0006 -0.0025 0.0103 8127 GLU 95 CD 0.0009 -0.0014 0.0097 8128 GLU 95 OE1 0.0011 -0.0009 0.0081 8129 GLU 95 OE2 0.0019 -0.0012 0.0107 8130 GLU 95 H 0.0003 -0.0023 0.0111 8131 GLU 95 HA -0.0031 -0.0042 0.0112 8132 GLU 95 HB2 -0.0031 -0.0039 0.0102 8133 GLU 95 HB3 -0.0022 -0.0030 0.0086 8134 GLU 95 HG2 -0.0003 -0.0027 0.0117 8135 GLU 95 HG3 -0.0009 -0.0025 0.0096 8136 ASN 96 N -0.0023 -0.0046 0.0141 8137 ASN 96 CA -0.0019 -0.0049 0.0160 8138 ASN 96 C -0.0010 -0.0044 0.0161 8139 ASN 96 O -0.0011 -0.0041 0.0147 8140 ASN 96 CB -0.0034 -0.0060 0.0169 8141 ASN 96 CG -0.0047 -0.0065 0.0159 8142 ASN 96 OD1 -0.0047 -0.0065 0.0161 8143 ASN 96 ND2 -0.0059 -0.0069 0.0149 8144 ASN 96 OXT -0.0003 -0.0044 0.0176 8145 ASN 96 H -0.0034 -0.0051 0.0135 8146 ASN 96 HA -0.0011 -0.0046 0.0166 8147 ASN 96 HB2 -0.0031 -0.0062 0.0182 8148 ASN 96 HB3 -0.0039 -0.0063 0.0170 8149 ASN 96 HD21 -0.0058 -0.0068 0.0147 8150 ASN 96 HD22 -0.0067 -0.0072 0.0142 8151 SER 101 N 0.0027 -0.0071 0.0152 8152 SER 101 CA 0.0011 -0.0076 0.0147 8153 SER 101 C 0.0024 -0.0065 0.0137 8154 SER 101 O 0.0014 -0.0068 0.0133 8155 SER 101 CB 0.0001 -0.0091 0.0170 8156 SER 101 OG -0.0008 -0.0100 0.0182 8157 SER 101 H1 0.0043 -0.0069 0.0164 8158 SER 101 H2 0.0033 -0.0061 0.0136 8159 SER 101 H3 0.0018 -0.0078 0.0159 8160 SER 101 HA -0.0005 -0.0077 0.0133 8161 SER 101 HB2 0.0016 -0.0090 0.0183 8162 SER 101 HB3 -0.0014 -0.0095 0.0166 8163 SER 101 HG -0.0024 -0.0109 0.0185 8164 TRP 102 N 0.0046 -0.0053 0.0132 8165 TRP 102 CA 0.0061 -0.0042 0.0122 8166 TRP 102 C 0.0085 -0.0030 0.0119 8167 TRP 102 O 0.0104 -0.0029 0.0135 8168 TRP 102 CB 0.0066 -0.0048 0.0139 8169 TRP 102 CG 0.0077 -0.0038 0.0128 8170 TRP 102 CD1 0.0100 -0.0025 0.0122 8171 TRP 102 CD2 0.0066 -0.0040 0.0123 8172 TRP 102 NE1 0.0104 -0.0019 0.0112 8173 TRP 102 CE2 0.0084 -0.0028 0.0113 8174 TRP 102 CE3 0.0044 -0.0052 0.0126 8175 TRP 102 CZ2 0.0079 -0.0027 0.0106 8176 TRP 102 CZ3 0.0039 -0.0050 0.0119 8177 TRP 102 CH2 0.0057 -0.0038 0.0109 8178 TRP 102 H 0.0053 -0.0051 0.0135 8179 TRP 102 HA 0.0052 -0.0038 0.0104 8180 TRP 102 HB2 0.0048 -0.0057 0.0143 8181 TRP 102 HB3 0.0078 -0.0050 0.0156 8182 TRP 102 HD1 0.0113 -0.0020 0.0123 8183 TRP 102 HE1 0.0119 -0.0009 0.0106 8184 TRP 102 HE3 0.0030 -0.0061 0.0133 8185 TRP 102 HZ2 0.0092 -0.0018 0.0099 8186 TRP 102 HZ3 0.0022 -0.0059 0.0121 8187 TRP 102 HH2 0.0053 -0.0038 0.0104 8188 GLU 103 N 0.0085 -0.0021 0.0099 8189 GLU 103 CA 0.0107 -0.0009 0.0094 8190 GLU 103 C 0.0119 0.0005 0.0075 8191 GLU 103 O 0.0138 0.0011 0.0081 8192 GLU 103 CB 0.0100 -0.0008 0.0087 8193 GLU 103 CG 0.0095 -0.0020 0.0108 8194 GLU 103 CD 0.0073 -0.0035 0.0119 8195 GLU 103 OE1 0.0053 -0.0039 0.0106 8196 GLU 103 OE2 0.0077 -0.0044 0.0142 8197 GLU 103 H 0.0070 -0.0022 0.0086 8198 GLU 103 HA 0.0120 -0.0011 0.0111 8199 GLU 103 HB2 0.0084 -0.0009 0.0072 8200 GLU 103 HB3 0.0116 0.0002 0.0079 8201 GLU 103 HG2 0.0091 -0.0019 0.0101 8202 GLU 103 HG3 0.0111 -0.0020 0.0122 8203 SER 104 N 0.0109 0.0011 0.0052 8204 SER 104 CA 0.0119 0.0025 0.0032 8205 SER 104 C 0.0106 0.0022 0.0024 8206 SER 104 O 0.0083 0.0013 0.0023 8207 SER 104 CB 0.0118 0.0034 0.0010 8208 SER 104 OG 0.0119 0.0031 0.0018 8209 SER 104 H 0.0094 0.0006 0.0048 8210 SER 104 HA 0.0138 0.0030 0.0039 8211 SER 104 HB2 0.0102 0.0032 -0.0002 8212 SER 104 HB3 0.0134 0.0045 0.0001 8213 SER 104 HG 0.0131 0.0029 0.0033 8214 HIS 105 N 0.0119 0.0032 0.0017 8215 HIS 105 CA 0.0109 0.0031 0.0008 8216 HIS 105 C 0.0108 0.0043 -0.0020 8217 HIS 105 O 0.0096 0.0043 -0.0032 8218 HIS 105 CB 0.0123 0.0031 0.0022 8219 HIS 105 CG 0.0108 0.0023 0.0025 8220 HIS 105 ND1 0.0097 0.0008 0.0045 8221 HIS 105 CD2 0.0102 0.0027 0.0010 8222 HIS 105 CE1 0.0084 0.0004 0.0042 8223 HIS 105 NE2 0.0087 0.0015 0.0021 8224 HIS 105 H 0.0137 0.0039 0.0018 8225 HIS 105 HA 0.0090 0.0021 0.0012 8226 HIS 105 HB2 0.0131 0.0026 0.0040 8227 HIS 105 HB3 0.0137 0.0042 0.0012 8228 HIS 105 HD2 0.0108 0.0037 -0.0007 8229 HIS 105 HE1 0.0074 -0.0006 0.0055 8230 HIS 105 HE2 0.0076 0.0014 0.0013 8231 LYS 106 N 0.0122 0.0054 -0.0029 8232 LYS 106 CA 0.0124 0.0066 -0.0056 8233 LYS 106 C 0.0099 0.0062 -0.0071 8234 LYS 106 O 0.0093 0.0061 -0.0074 8235 LYS 106 CB 0.0144 0.0078 -0.0061 8236 LYS 106 CG 0.0148 0.0091 -0.0088 8237 LYS 106 CD 0.0166 0.0102 -0.0093 8238 LYS 106 CE 0.0166 0.0114 -0.0120 8239 LYS 106 NZ 0.0184 0.0125 -0.0125 8240 LYS 106 H 0.0132 0.0053 -0.0019 8241 LYS 106 HA 0.0128 0.0070 -0.0060 8242 LYS 106 HB2 0.0161 0.0080 -0.0050 8243 LYS 106 HB3 0.0140 0.0074 -0.0056 8244 LYS 106 HG2 0.0130 0.0089 -0.0099 8245 LYS 106 HG3 0.0154 0.0096 -0.0092 8246 LYS 106 HD2 0.0184 0.0106 -0.0084 8247 LYS 106 HD3 0.0161 0.0096 -0.0085 8248 LYS 106 HE2 0.0148 0.0110 -0.0129 8249 LYS 106 HE3 0.0171 0.0120 -0.0127 8250 LYS 106 HZ1 0.0202 0.0131 -0.0123 8251 LYS 106 HZ2 0.0180 0.0131 -0.0143 8252 LYS 106 HZ3 0.0184 0.0119 -0.0113 8253 SER 107 N 0.0038 0.0025 -0.0012 8254 SER 107 CA 0.0036 0.0030 -0.0011 8255 SER 107 C 0.0027 0.0031 -0.0009 8256 SER 107 O 0.0024 0.0033 -0.0009 8257 SER 107 CB 0.0039 0.0025 -0.0012 8258 SER 107 OG 0.0039 0.0017 -0.0014 8259 SER 107 H 0.0034 0.0021 -0.0012 8260 SER 107 HA 0.0040 0.0035 -0.0010 8261 SER 107 HB2 0.0035 0.0026 -0.0011 8262 SER 107 HB3 0.0045 0.0028 -0.0012 8263 SER 107 HG 0.0040 0.0016 -0.0014 8264 GLY 108 N 0.0023 0.0031 -0.0009 8265 GLY 108 CA 0.0014 0.0033 -0.0007 8266 GLY 108 C 0.0010 0.0028 -0.0008 8267 GLY 108 O 0.0011 0.0031 -0.0007 8268 GLY 108 H 0.0026 0.0030 -0.0009 8269 GLY 108 HA2 0.0014 0.0039 -0.0006 8270 GLY 108 HA3 0.0012 0.0031 -0.0007 8271 GLY 109 N 0.0007 0.0021 -0.0009 8272 GLY 109 CA 0.0003 0.0016 -0.0009 8273 GLY 109 C -0.0001 0.0008 -0.0011 8274 GLY 109 O 0.0004 0.0004 -0.0012 8275 GLY 109 H 0.0007 0.0019 -0.0009 8276 GLY 109 HA2 0.0007 0.0015 -0.0010 8277 GLY 109 HA3 -0.0003 0.0020 -0.0008 8278 GLU 110 N -0.0009 0.0006 -0.0010 8279 GLU 110 CA -0.0013 -0.0001 -0.0011 8280 GLU 110 C -0.0021 0.0001 -0.0010 8281 GLU 110 O -0.0027 -0.0004 -0.0010 8282 GLU 110 CB -0.0014 -0.0007 -0.0012 8283 GLU 110 CG -0.0006 -0.0010 -0.0014 8284 GLU 110 CD -0.0008 -0.0016 -0.0015 8285 GLU 110 OE1 -0.0010 -0.0014 -0.0014 8286 GLU 110 OE2 -0.0006 -0.0023 -0.0016 8287 GLU 110 H -0.0012 0.0010 -0.0009 8288 GLU 110 HA -0.0009 -0.0004 -0.0012 8289 GLU 110 HB2 -0.0018 -0.0004 -0.0011 8290 GLU 110 HB3 -0.0017 -0.0013 -0.0013 8291 GLU 110 HG2 -0.0002 -0.0012 -0.0015 8292 GLU 110 HG3 -0.0003 -0.0004 -0.0013 8293 THR 111 N -0.0021 0.0008 -0.0008 8294 THR 111 CA -0.0028 0.0011 -0.0007 8295 THR 111 C -0.0030 0.0006 -0.0008 8296 THR 111 O -0.0026 0.0007 -0.0008 8297 THR 111 CB -0.0027 0.0020 -0.0005 8298 THR 111 OG1 -0.0024 0.0024 -0.0004 8299 THR 111 CG2 -0.0036 0.0023 -0.0003 8300 THR 111 H -0.0016 0.0011 -0.0008 8301 THR 111 HA -0.0034 0.0010 -0.0006 8302 THR 111 HB -0.0023 0.0020 -0.0005 8303 THR 111 HG1 -0.0026 0.0022 -0.0005 8304 THR 111 HG21 -0.0035 0.0030 -0.0002 8305 THR 111 HG22 -0.0040 0.0023 -0.0003 8306 THR 111 HG23 -0.0038 0.0020 -0.0004 8307 ARG 112 N -0.0036 -0.0000 -0.0008 8308 ARG 112 CA -0.0038 -0.0006 -0.0009 8309 ARG 112 C -0.0045 -0.0002 -0.0007 8310 ARG 112 O -0.0049 0.0004 -0.0006 8311 ARG 112 CB -0.0040 -0.0014 -0.0010 8312 ARG 112 CG -0.0046 -0.0014 -0.0010 8313 ARG 112 CD -0.0052 -0.0022 -0.0010 8314 ARG 112 NE -0.0057 -0.0022 -0.0010 8315 ARG 112 CZ -0.0062 -0.0028 -0.0011 8316 ARG 112 NH1 -0.0061 -0.0035 -0.0012 8317 ARG 112 NH2 -0.0066 -0.0027 -0.0010 8318 ARG 112 H -0.0039 -0.0001 -0.0008 8319 ARG 112 HA -0.0033 -0.0006 -0.0010 8320 ARG 112 HB2 -0.0042 -0.0018 -0.0011 8321 ARG 112 HB3 -0.0035 -0.0017 -0.0012 8322 ARG 112 HG2 -0.0043 -0.0014 -0.0010 8323 ARG 112 HG3 -0.0050 -0.0009 -0.0008 8324 ARG 112 HD2 -0.0048 -0.0027 -0.0012 8325 ARG 112 HD3 -0.0056 -0.0022 -0.0010 8326 ARG 112 HE -0.0058 -0.0017 -0.0009 8327 ARG 112 HH11 -0.0057 -0.0036 -0.0013 8328 ARG 112 HH12 -0.0064 -0.0040 -0.0013 8329 ARG 112 HH21 -0.0067 -0.0022 -0.0009 8330 ARG 112 HH22 -0.0070 -0.0032 -0.0010 8331 LEU 113 N -0.0043 -0.0020 -0.0003 8332 LEU 113 CA -0.0039 -0.0019 0.0001 8333 LEU 113 C -0.0044 -0.0020 -0.0003 8334 LEU 113 O -0.0053 -0.0023 -0.0003 8335 LEU 113 CB -0.0029 -0.0016 -0.0001 8336 LEU 113 CG -0.0023 -0.0014 0.0005 8337 LEU 113 CD1 -0.0025 -0.0013 0.0016 8338 LEU 113 CD2 -0.0023 -0.0014 0.0002 8339 LEU 113 OXT -0.0040 -0.0020 -0.0007 8340 LEU 113 H -0.0041 -0.0020 -0.0010 8341 LEU 113 HA -0.0041 -0.0018 0.0009 8342 LEU 113 HB2 -0.0027 -0.0017 -0.0009 8343 LEU 113 HB3 -0.0027 -0.0016 -0.0000 8344 LEU 113 HG -0.0015 -0.0012 0.0004 8345 LEU 113 HD11 -0.0020 -0.0012 0.0020 8346 LEU 113 HD12 -0.0032 -0.0015 0.0017 8347 LEU 113 HD13 -0.0024 -0.0013 0.0018 8348 LEU 113 HD21 -0.0021 -0.0015 -0.0006 8349 LEU 113 HD22 -0.0030 -0.0016 0.0002 8350 LEU 113 HD23 -0.0019 -0.0013 0.0006 8351 GLY 1 N -0.0034 0.0042 0.0087 8352 GLY 1 CA -0.0026 0.0043 0.0078 8353 GLY 1 C -0.0055 0.0045 0.0078 8354 GLY 1 O -0.0081 0.0045 0.0089 8355 GLY 1 H1 -0.0013 0.0040 0.0088 8356 GLY 1 H2 -0.0049 0.0045 0.0070 8357 GLY 1 H3 -0.0045 0.0040 0.0109 8358 GLY 1 HA2 -0.0009 0.0039 0.0095 8359 GLY 1 HA3 -0.0015 0.0045 0.0055 8360 GLY 2 N -0.0052 0.0046 0.0067 8361 GLY 2 CA -0.0078 0.0048 0.0066 8362 GLY 2 C -0.0082 0.0052 0.0033 8363 GLY 2 O -0.0063 0.0054 0.0011 8364 GLY 2 H -0.0031 0.0046 0.0059 8365 GLY 2 HA2 -0.0100 0.0048 0.0072 8366 GLY 2 HA3 -0.0074 0.0045 0.0082 8367 SER 3 N -0.0106 0.0054 0.0029 8368 SER 3 CA -0.0113 0.0059 -0.0002 8369 SER 3 C -0.0116 0.0059 0.0003 8370 SER 3 O -0.0113 0.0055 0.0029 8371 SER 3 CB -0.0143 0.0063 -0.0016 8372 SER 3 OG -0.0143 0.0063 -0.0014 8373 SER 3 H -0.0120 0.0053 0.0047 8374 SER 3 HA -0.0093 0.0060 -0.0017 8375 SER 3 HB2 -0.0164 0.0062 -0.0002 8376 SER 3 HB3 -0.0146 0.0066 -0.0040 8377 SER 3 HG -0.0130 0.0059 0.0003 8378 MET 4 N -0.0123 0.0063 -0.0024 8379 MET 4 CA -0.0127 0.0063 -0.0023 8380 MET 4 C -0.0097 0.0059 -0.0010 8381 MET 4 O -0.0097 0.0055 0.0017 8382 MET 4 CB -0.0156 0.0062 -0.0004 8383 MET 4 CG -0.0186 0.0067 -0.0023 8384 MET 4 SD -0.0221 0.0066 0.0001 8385 MET 4 CE -0.0212 0.0063 0.0016 8386 MET 4 H -0.0125 0.0065 -0.0044 8387 MET 4 HA -0.0130 0.0066 -0.0047 8388 MET 4 HB2 -0.0161 0.0060 0.0014 8389 MET 4 HB3 -0.0151 0.0060 0.0008 8390 MET 4 HG2 -0.0182 0.0068 -0.0039 8391 MET 4 HG3 -0.0190 0.0069 -0.0038 8392 MET 4 HE1 -0.0191 0.0060 0.0030 8393 MET 4 HE2 -0.0232 0.0062 0.0032 8394 MET 4 HE3 -0.0209 0.0065 -0.0003 8395 ARG 5 N -0.0072 0.0060 -0.0029 8396 ARG 5 CA -0.0043 0.0057 -0.0019 8397 ARG 5 C -0.0047 0.0057 -0.0020 8398 ARG 5 O -0.0061 0.0061 -0.0043 8399 ARG 5 CB -0.0015 0.0058 -0.0041 8400 ARG 5 CG -0.0006 0.0057 -0.0038 8401 ARG 5 CD -0.0027 0.0061 -0.0060 8402 ARG 5 NE -0.0022 0.0060 -0.0055 8403 ARG 5 CZ -0.0034 0.0063 -0.0074 8404 ARG 5 NH1 -0.0053 0.0068 -0.0098 8405 ARG 5 NH2 -0.0028 0.0062 -0.0068 8406 ARG 5 H -0.0073 0.0063 -0.0050 8407 ARG 5 HA -0.0038 0.0053 0.0004 8408 ARG 5 HB2 -0.0021 0.0061 -0.0065 8409 ARG 5 HB3 0.0006 0.0056 -0.0035 8410 ARG 5 HG2 0.0019 0.0056 -0.0045 8411 ARG 5 HG3 -0.0010 0.0054 -0.0014 8412 ARG 5 HD2 -0.0051 0.0062 -0.0055 8413 ARG 5 HD3 -0.0021 0.0064 -0.0084 8414 ARG 5 HE -0.0008 0.0057 -0.0038 8415 ARG 5 HH11 -0.0058 0.0069 -0.0102 8416 ARG 5 HH12 -0.0062 0.0070 -0.0112 8417 ARG 5 HH21 -0.0015 0.0059 -0.0050 8418 ARG 5 HH22 -0.0038 0.0065 -0.0082 8419 PRO 6 N -0.0036 0.0053 0.0004 8420 PRO 6 CA -0.0040 0.0053 0.0007 8421 PRO 6 C -0.0013 0.0053 -0.0010 8422 PRO 6 O 0.0015 0.0050 -0.0001 8423 PRO 6 CB -0.0039 0.0048 0.0043 8424 PRO 6 CG -0.0034 0.0046 0.0058 8425 PRO 6 CD -0.0020 0.0048 0.0032 8426 PRO 6 HA -0.0062 0.0056 -0.0002 8427 PRO 6 HB2 -0.0019 0.0046 0.0048 8428 PRO 6 HB3 -0.0061 0.0049 0.0051 8429 PRO 6 HG2 -0.0017 0.0042 0.0077 8430 PRO 6 HG3 -0.0056 0.0046 0.0065 8431 PRO 6 HD2 0.0006 0.0047 0.0030 8432 PRO 6 HD3 -0.0025 0.0048 0.0037 8433 PRO 7 N 0.0073 0.0038 -0.0037 8434 PRO 7 CA 0.0066 0.0031 -0.0029 8435 PRO 7 C 0.0066 0.0033 -0.0031 8436 PRO 7 O 0.0077 0.0036 -0.0031 8437 PRO 7 CB 0.0073 0.0027 -0.0016 8438 PRO 7 CG 0.0083 0.0031 -0.0017 8439 PRO 7 CD 0.0086 0.0039 -0.0031 8440 PRO 7 HA 0.0055 0.0028 -0.0029 8441 PRO 7 HB2 0.0079 0.0027 -0.0012 8442 PRO 7 HB3 0.0066 0.0021 -0.0009 8443 PRO 7 HG2 0.0093 0.0031 -0.0011 8444 PRO 7 HG3 0.0079 0.0029 -0.0015 8445 PRO 7 HD2 0.0094 0.0042 -0.0032 8446 PRO 7 HD3 0.0088 0.0042 -0.0034 8447 ILE 8 N 0.0054 0.0030 -0.0034 8448 ILE 8 CA 0.0052 0.0031 -0.0037 8449 ILE 8 C 0.0052 0.0024 -0.0024 8450 ILE 8 O 0.0043 0.0018 -0.0017 8451 ILE 8 CB 0.0039 0.0031 -0.0045 8452 ILE 8 CG1 0.0036 0.0035 -0.0055 8453 ILE 8 CG2 0.0039 0.0034 -0.0052 8454 ILE 8 CD1 0.0021 0.0033 -0.0061 8455 ILE 8 H 0.0046 0.0027 -0.0034 8456 ILE 8 HA 0.0061 0.0036 -0.0041 8457 ILE 8 HB 0.0030 0.0025 -0.0040 8458 ILE 8 HG12 0.0041 0.0041 -0.0063 8459 ILE 8 HG13 0.0040 0.0034 -0.0051 8460 ILE 8 HG21 0.0042 0.0032 -0.0045 8461 ILE 8 HG22 0.0030 0.0034 -0.0058 8462 ILE 8 HG23 0.0047 0.0040 -0.0058 8463 ILE 8 HD11 0.0016 0.0032 -0.0062 8464 ILE 8 HD12 0.0016 0.0027 -0.0054 8465 ILE 8 HD13 0.0020 0.0037 -0.0070 8466 ILE 9 N 0.0063 0.0026 -0.0020 8467 ILE 9 CA 0.0064 0.0020 -0.0008 8468 ILE 9 C 0.0055 0.0017 -0.0009 8469 ILE 9 O 0.0059 0.0021 -0.0014 8470 ILE 9 CB 0.0079 0.0023 -0.0004 8471 ILE 9 CG1 0.0089 0.0028 -0.0007 8472 ILE 9 CG2 0.0081 0.0016 0.0011 8473 ILE 9 CD1 0.0088 0.0024 -0.0000 8474 ILE 9 H 0.0070 0.0031 -0.0026 8475 ILE 9 HA 0.0061 0.0015 -0.0001 8476 ILE 9 HB 0.0081 0.0026 -0.0008 8477 ILE 9 HG12 0.0087 0.0033 -0.0017 8478 ILE 9 HG13 0.0100 0.0030 -0.0004 8479 ILE 9 HG21 0.0075 0.0012 0.0013 8480 ILE 9 HG22 0.0092 0.0018 0.0014 8481 ILE 9 HG23 0.0078 0.0012 0.0016 8482 ILE 9 HD11 0.0096 0.0028 -0.0003 8483 ILE 9 HD12 0.0079 0.0022 -0.0003 8484 ILE 9 HD13 0.0090 0.0019 0.0010 8485 ILE 10 N 0.0044 0.0011 -0.0004 8486 ILE 10 CA 0.0035 0.0008 -0.0004 8487 ILE 10 C 0.0041 0.0004 0.0007 8488 ILE 10 O 0.0049 0.0002 0.0016 8489 ILE 10 CB 0.0020 0.0002 -0.0002 8490 ILE 10 CG1 0.0013 0.0004 -0.0012 8491 ILE 10 CG2 0.0011 -0.0001 -0.0003 8492 ILE 10 CD1 0.0006 -0.0001 -0.0006 8493 ILE 10 H 0.0041 0.0008 -0.0001 8494 ILE 10 HA 0.0035 0.0012 -0.0013 8495 ILE 10 HB 0.0020 -0.0003 0.0007 8496 ILE 10 HG12 0.0005 0.0005 -0.0019 8497 ILE 10 HG13 0.0020 0.0010 -0.0017 8498 ILE 10 HG21 0.0000 -0.0003 -0.0005 8499 ILE 10 HG22 0.0014 0.0004 -0.0010 8500 ILE 10 HG23 0.0012 -0.0005 0.0006 8501 ILE 10 HD11 0.0013 -0.0001 -0.0001 8502 ILE 10 HD12 -0.0001 0.0000 -0.0014 8503 ILE 10 HD13 -0.0000 -0.0007 0.0001 8504 HIS 11 N 0.0037 0.0003 0.0007 8505 HIS 11 CA 0.0042 -0.0001 0.0018 8506 HIS 11 C 0.0030 -0.0007 0.0020 8507 HIS 11 O 0.0024 -0.0004 0.0012 8508 HIS 11 CB 0.0053 0.0005 0.0014 8509 HIS 11 CG 0.0059 0.0001 0.0024 8510 HIS 11 ND1 0.0059 0.0002 0.0022 8511 HIS 11 CD2 0.0066 -0.0003 0.0036 8512 HIS 11 CE1 0.0065 -0.0001 0.0033 8513 HIS 11 NE2 0.0069 -0.0005 0.0042 8514 HIS 11 H 0.0031 0.0004 0.0000 8515 HIS 11 HA 0.0046 -0.0004 0.0026 8516 HIS 11 HB2 0.0062 0.0009 0.0012 8517 HIS 11 HB3 0.0049 0.0008 0.0006 8518 HIS 11 HD2 0.0067 -0.0005 0.0041 8519 HIS 11 HE1 0.0066 -0.0002 0.0035 8520 HIS 11 HE2 0.0072 -0.0008 0.0051 8521 ARG 12 N 0.0026 -0.0014 0.0031 8522 ARG 12 CA 0.0014 -0.0020 0.0035 8523 ARG 12 C 0.0017 -0.0019 0.0036 8524 ARG 12 O 0.0025 -0.0022 0.0046 8525 ARG 12 CB 0.0011 -0.0028 0.0048 8526 ARG 12 CG -0.0003 -0.0034 0.0051 8527 ARG 12 CD -0.0006 -0.0041 0.0063 8528 ARG 12 NE -0.0018 -0.0048 0.0067 8529 ARG 12 CZ -0.0019 -0.0054 0.0079 8530 ARG 12 NH1 -0.0008 -0.0055 0.0088 8531 ARG 12 NH2 -0.0031 -0.0059 0.0081 8532 ARG 12 H 0.0031 -0.0015 0.0037 8533 ARG 12 HA 0.0005 -0.0019 0.0028 8534 ARG 12 HB2 0.0011 -0.0027 0.0047 8535 ARG 12 HB3 0.0019 -0.0029 0.0055 8536 ARG 12 HG2 -0.0002 -0.0034 0.0052 8537 ARG 12 HG3 -0.0011 -0.0033 0.0043 8538 ARG 12 HD2 -0.0007 -0.0041 0.0062 8539 ARG 12 HD3 0.0003 -0.0042 0.0071 8540 ARG 12 HE -0.0027 -0.0047 0.0061 8541 ARG 12 HH11 0.0001 -0.0051 0.0086 8542 ARG 12 HH12 -0.0008 -0.0060 0.0096 8543 ARG 12 HH21 -0.0039 -0.0059 0.0075 8544 ARG 12 HH22 -0.0031 -0.0064 0.0090 8545 ALA 13 N -0.0004 -0.0015 0.0017 8546 ALA 13 CA -0.0007 -0.0016 0.0015 8547 ALA 13 C -0.0021 -0.0021 0.0026 8548 ALA 13 O -0.0032 -0.0023 0.0020 8549 ALA 13 CB -0.0011 -0.0013 -0.0004 8550 ALA 13 H -0.0009 -0.0015 0.0008 8551 ALA 13 HA 0.0005 -0.0014 0.0018 8552 ALA 13 HB1 -0.0013 -0.0013 -0.0005 8553 ALA 13 HB2 -0.0023 -0.0015 -0.0008 8554 ALA 13 HB3 -0.0001 -0.0009 -0.0012 8555 GLY 14 N -0.0020 -0.0024 0.0042 8556 GLY 14 CA -0.0032 -0.0029 0.0054 8557 GLY 14 C -0.0048 -0.0033 0.0052 8558 GLY 14 O -0.0060 -0.0037 0.0062 8559 GLY 14 H -0.0011 -0.0022 0.0046 8560 GLY 14 HA2 -0.0027 -0.0030 0.0067 8561 GLY 14 HA3 -0.0035 -0.0029 0.0051 8562 LYS 15 N -0.0050 -0.0031 0.0040 8563 LYS 15 CA -0.0065 -0.0034 0.0037 8564 LYS 15 C -0.0060 -0.0033 0.0039 8565 LYS 15 O -0.0062 -0.0036 0.0052 8566 LYS 15 CB -0.0074 -0.0033 0.0020 8567 LYS 15 CG -0.0062 -0.0028 0.0006 8568 LYS 15 CD -0.0071 -0.0026 -0.0011 8569 LYS 15 CE -0.0086 -0.0030 -0.0012 8570 LYS 15 NZ -0.0093 -0.0028 -0.0029 8571 LYS 15 H -0.0040 -0.0027 0.0032 8572 LYS 15 HA -0.0073 -0.0038 0.0047 8573 LYS 15 HB2 -0.0080 -0.0034 0.0016 8574 LYS 15 HB3 -0.0083 -0.0035 0.0022 8575 LYS 15 HG2 -0.0058 -0.0027 0.0009 8576 LYS 15 HG3 -0.0052 -0.0025 0.0006 8577 LYS 15 HD2 -0.0063 -0.0023 -0.0020 8578 LYS 15 HD3 -0.0076 -0.0027 -0.0014 8579 LYS 15 HE2 -0.0096 -0.0034 -0.0004 8580 LYS 15 HE3 -0.0082 -0.0030 -0.0007 8581 LYS 15 HZ1 -0.0084 -0.0025 -0.0038 8582 LYS 15 HZ2 -0.0102 -0.0030 -0.0030 8583 LYS 15 HZ3 -0.0099 -0.0029 -0.0034 8584 LYS 16 N -0.0054 -0.0029 0.0025 8585 LYS 16 CA -0.0050 -0.0028 0.0025 8586 LYS 16 C -0.0037 -0.0022 0.0012 8587 LYS 16 O -0.0030 -0.0019 0.0004 8588 LYS 16 CB -0.0066 -0.0031 0.0020 8589 LYS 16 CG -0.0078 -0.0031 0.0007 8590 LYS 16 CD -0.0092 -0.0034 0.0002 8591 LYS 16 CE -0.0106 -0.0035 -0.0008 8592 LYS 16 NZ -0.0118 -0.0037 -0.0016 8593 LYS 16 H -0.0052 -0.0027 0.0015 8594 LYS 16 HA -0.0045 -0.0029 0.0037 8595 LYS 16 HB2 -0.0062 -0.0029 0.0016 8596 LYS 16 HB3 -0.0072 -0.0035 0.0032 8597 LYS 16 HG2 -0.0083 -0.0034 0.0013 8598 LYS 16 HG3 -0.0071 -0.0028 -0.0004 8599 LYS 16 HD2 -0.0087 -0.0031 -0.0007 8600 LYS 16 HD3 -0.0096 -0.0037 0.0013 8601 LYS 16 HE2 -0.0112 -0.0039 0.0002 8602 LYS 16 HE3 -0.0101 -0.0033 -0.0017 8603 LYS 16 HZ1 -0.0114 -0.0033 -0.0029 8604 LYS 16 HZ2 -0.0130 -0.0039 -0.0017 8605 LYS 16 HZ3 -0.0119 -0.0038 -0.0010 8606 TYR 17 N -0.0033 -0.0021 0.0009 8607 TYR 17 CA -0.0021 -0.0016 -0.0003 8608 TYR 17 C -0.0029 -0.0015 -0.0020 8609 TYR 17 O -0.0022 -0.0011 -0.0032 8610 TYR 17 CB -0.0011 -0.0014 0.0004 8611 TYR 17 CG -0.0005 -0.0016 0.0022 8612 TYR 17 CD1 -0.0015 -0.0021 0.0035 8613 TYR 17 CD2 0.0011 -0.0013 0.0026 8614 TYR 17 CE1 -0.0010 -0.0023 0.0052 8615 TYR 17 CE2 0.0016 -0.0015 0.0043 8616 TYR 17 CZ 0.0006 -0.0020 0.0056 8617 TYR 17 OH 0.0011 -0.0022 0.0072 8618 TYR 17 H -0.0039 -0.0024 0.0016 8619 TYR 17 HA -0.0012 -0.0013 -0.0004 8620 TYR 17 HB2 -0.0018 -0.0016 0.0003 8621 TYR 17 HB3 0.0000 -0.0010 -0.0004 8622 TYR 17 HD1 -0.0027 -0.0024 0.0032 8623 TYR 17 HD2 0.0019 -0.0010 0.0016 8624 TYR 17 HE1 -0.0018 -0.0027 0.0062 8625 TYR 17 HE2 0.0028 -0.0013 0.0046 8626 TYR 17 HH 0.0021 -0.0020 0.0073 8627 GLY 18 N -0.0046 -0.0018 -0.0021 8628 GLY 18 CA -0.0056 -0.0018 -0.0036 8629 GLY 18 C -0.0056 -0.0016 -0.0046 8630 GLY 18 O -0.0054 -0.0013 -0.0061 8631 GLY 18 H -0.0051 -0.0022 -0.0011 8632 GLY 18 HA2 -0.0068 -0.0022 -0.0034 8633 GLY 18 HA3 -0.0051 -0.0015 -0.0045 8634 PHE 19 N -0.0032 -0.0011 -0.0028 8635 PHE 19 CA -0.0029 -0.0012 -0.0026 8636 PHE 19 C -0.0027 -0.0009 -0.0022 8637 PHE 19 O -0.0028 -0.0007 -0.0022 8638 PHE 19 CB -0.0026 -0.0016 -0.0025 8639 PHE 19 CG -0.0025 -0.0016 -0.0024 8640 PHE 19 CD1 -0.0027 -0.0015 -0.0025 8641 PHE 19 CD2 -0.0022 -0.0016 -0.0021 8642 PHE 19 CE1 -0.0026 -0.0015 -0.0024 8643 PHE 19 CE2 -0.0021 -0.0016 -0.0019 8644 PHE 19 CZ -0.0022 -0.0015 -0.0021 8645 PHE 19 H -0.0032 -0.0009 -0.0028 8646 PHE 19 HA -0.0029 -0.0012 -0.0026 8647 PHE 19 HB2 -0.0025 -0.0017 -0.0024 8648 PHE 19 HB3 -0.0028 -0.0018 -0.0028 8649 PHE 19 HD1 -0.0029 -0.0015 -0.0028 8650 PHE 19 HD2 -0.0021 -0.0016 -0.0019 8651 PHE 19 HE1 -0.0027 -0.0015 -0.0025 8652 PHE 19 HE2 -0.0018 -0.0016 -0.0017 8653 PHE 19 HZ -0.0021 -0.0015 -0.0020 8654 THR 20 N -0.0026 -0.0008 -0.0020 8655 THR 20 CA -0.0024 -0.0006 -0.0017 8656 THR 20 C -0.0021 -0.0007 -0.0014 8657 THR 20 O -0.0019 -0.0010 -0.0014 8658 THR 20 CB -0.0024 -0.0004 -0.0016 8659 THR 20 OG1 -0.0027 -0.0003 -0.0019 8660 THR 20 CG2 -0.0023 -0.0001 -0.0013 8661 THR 20 H -0.0025 -0.0010 -0.0021 8662 THR 20 HA -0.0025 -0.0003 -0.0017 8663 THR 20 HB -0.0023 -0.0007 -0.0016 8664 THR 20 HG1 -0.0028 -0.0004 -0.0021 8665 THR 20 HG21 -0.0024 0.0002 -0.0013 8666 THR 20 HG22 -0.0021 -0.0002 -0.0011 8667 THR 20 HG23 -0.0022 -0.0001 -0.0012 8668 LEU 21 N -0.0020 -0.0005 -0.0013 8669 LEU 21 CA -0.0017 -0.0007 -0.0010 8670 LEU 21 C -0.0015 -0.0004 -0.0007 8671 LEU 21 O -0.0015 -0.0001 -0.0005 8672 LEU 21 CB -0.0017 -0.0006 -0.0010 8673 LEU 21 CG -0.0014 -0.0010 -0.0009 8674 LEU 21 CD1 -0.0013 -0.0013 -0.0010 8675 LEU 21 CD2 -0.0016 -0.0011 -0.0011 8676 LEU 21 H -0.0022 -0.0003 -0.0013 8677 LEU 21 HA -0.0016 -0.0010 -0.0011 8678 LEU 21 HB2 -0.0019 -0.0006 -0.0012 8679 LEU 21 HB3 -0.0017 -0.0004 -0.0008 8680 LEU 21 HG -0.0013 -0.0008 -0.0007 8681 LEU 21 HD11 -0.0011 -0.0016 -0.0009 8682 LEU 21 HD12 -0.0015 -0.0014 -0.0012 8683 LEU 21 HD13 -0.0012 -0.0012 -0.0008 8684 LEU 21 HD21 -0.0017 -0.0012 -0.0014 8685 LEU 21 HD22 -0.0014 -0.0013 -0.0010 8686 LEU 21 HD23 -0.0017 -0.0008 -0.0011 8687 ARG 22 N -0.0014 -0.0005 -0.0006 8688 ARG 22 CA -0.0012 -0.0003 -0.0003 8689 ARG 22 C -0.0009 -0.0004 -0.0000 8690 ARG 22 O -0.0007 -0.0008 -0.0001 8691 ARG 22 CB -0.0011 -0.0005 -0.0003 8692 ARG 22 CG -0.0013 -0.0001 -0.0002 8693 ARG 22 CD -0.0016 0.0001 -0.0005 8694 ARG 22 NE -0.0017 0.0004 -0.0005 8695 ARG 22 CZ -0.0020 0.0007 -0.0006 8696 ARG 22 NH1 -0.0022 0.0008 -0.0007 8697 ARG 22 NH2 -0.0021 0.0009 -0.0006 8698 ARG 22 H -0.0014 -0.0008 -0.0008 8699 ARG 22 HA -0.0013 -0.0000 -0.0003 8700 ARG 22 HB2 -0.0013 -0.0007 -0.0005 8701 ARG 22 HB3 -0.0009 -0.0006 -0.0001 8702 ARG 22 HG2 -0.0012 -0.0002 -0.0002 8703 ARG 22 HG3 -0.0011 0.0001 0.0000 8704 ARG 22 HD2 -0.0016 0.0003 -0.0004 8705 ARG 22 HD3 -0.0017 -0.0001 -0.0007 8706 ARG 22 HE -0.0016 0.0003 -0.0004 8707 ARG 22 HH11 -0.0021 0.0006 -0.0007 8708 ARG 22 HH12 -0.0024 0.0010 -0.0008 8709 ARG 22 HH21 -0.0020 0.0009 -0.0005 8710 ARG 22 HH22 -0.0023 0.0011 -0.0007 8711 ALA 23 N -0.0008 -0.0001 0.0003 8712 ALA 23 CA -0.0005 -0.0002 0.0005 8713 ALA 23 C -0.0002 -0.0003 0.0008 8714 ALA 23 O -0.0003 -0.0001 0.0008 8715 ALA 23 CB -0.0005 0.0002 0.0007 8716 ALA 23 H -0.0009 0.0001 0.0003 8717 ALA 23 HA -0.0004 -0.0004 0.0005 8718 ALA 23 HB1 -0.0005 0.0004 0.0009 8719 ALA 23 HB2 -0.0007 0.0003 0.0005 8720 ALA 23 HB3 -0.0003 0.0001 0.0009 8721 ILE 24 N 0.0001 -0.0005 0.0010 8722 ILE 24 CA 0.0003 -0.0006 0.0012 8723 ILE 24 C 0.0006 -0.0006 0.0015 8724 ILE 24 O 0.0007 -0.0008 0.0014 8725 ILE 24 CB 0.0004 -0.0010 0.0010 8726 ILE 24 CG1 0.0004 -0.0013 0.0009 8727 ILE 24 CG2 0.0001 -0.0009 0.0008 8728 ILE 24 CD1 0.0005 -0.0017 0.0008 8729 ILE 24 H 0.0001 -0.0006 0.0009 8730 ILE 24 HA 0.0003 -0.0003 0.0013 8731 ILE 24 HB 0.0006 -0.0010 0.0012 8732 ILE 24 HG12 0.0002 -0.0013 0.0006 8733 ILE 24 HG13 0.0005 -0.0013 0.0010 8734 ILE 24 HG21 0.0002 -0.0007 0.0010 8735 ILE 24 HG22 0.0002 -0.0011 0.0007 8736 ILE 24 HG23 -0.0001 -0.0008 0.0006 8737 ILE 24 HD11 0.0008 -0.0018 0.0010 8738 ILE 24 HD12 0.0005 -0.0019 0.0006 8739 ILE 24 HD13 0.0004 -0.0017 0.0006 8740 ARG 25 N 0.0033 -0.0003 0.0025 8741 ARG 25 CA 0.0020 -0.0003 0.0012 8742 ARG 25 C 0.0015 -0.0007 0.0032 8743 ARG 25 O 0.0035 -0.0006 0.0040 8744 ARG 25 CB 0.0036 0.0003 -0.0012 8745 ARG 25 CG 0.0047 0.0008 -0.0031 8746 ARG 25 CD 0.0061 0.0013 -0.0055 8747 ARG 25 NE 0.0083 0.0017 -0.0064 8748 ARG 25 CZ 0.0099 0.0023 -0.0085 8749 ARG 25 NH1 0.0094 0.0025 -0.0100 8750 ARG 25 NH2 0.0120 0.0026 -0.0091 8751 ARG 25 H 0.0052 -0.0002 0.0031 8752 ARG 25 HA -0.0000 -0.0003 0.0004 8753 ARG 25 HB2 0.0054 0.0004 -0.0004 8754 ARG 25 HB3 0.0024 0.0004 -0.0023 8755 ARG 25 HG2 0.0029 0.0007 -0.0037 8756 ARG 25 HG3 0.0061 0.0007 -0.0020 8757 ARG 25 HD2 0.0068 0.0013 -0.0050 8758 ARG 25 HD3 0.0046 0.0015 -0.0071 8759 ARG 25 HE 0.0087 0.0016 -0.0054 8760 ARG 25 HH11 0.0078 0.0022 -0.0096 8761 ARG 25 HH12 0.0105 0.0029 -0.0116 8762 ARG 25 HH21 0.0125 0.0024 -0.0080 8763 ARG 25 HH22 0.0132 0.0030 -0.0107 8764 VAL 26 N -0.0010 -0.0011 0.0042 8765 VAL 26 CA -0.0016 -0.0015 0.0061 8766 VAL 26 C -0.0023 -0.0013 0.0046 8767 VAL 26 O -0.0043 -0.0012 0.0030 8768 VAL 26 CB -0.0041 -0.0020 0.0079 8769 VAL 26 CG1 -0.0031 -0.0023 0.0101 8770 VAL 26 CG2 -0.0064 -0.0020 0.0062 8771 VAL 26 H -0.0024 -0.0011 0.0036 8772 VAL 26 HA 0.0001 -0.0015 0.0074 8773 VAL 26 HB -0.0048 -0.0023 0.0088 8774 VAL 26 HG11 -0.0048 -0.0027 0.0114 8775 VAL 26 HG12 -0.0023 -0.0021 0.0092 8776 VAL 26 HG13 -0.0015 -0.0024 0.0114 8777 VAL 26 HG21 -0.0081 -0.0024 0.0076 8778 VAL 26 HG22 -0.0071 -0.0018 0.0047 8779 VAL 26 HG23 -0.0057 -0.0018 0.0053 8780 TYR 27 N -0.0007 -0.0012 0.0050 8781 TYR 27 CA -0.0011 -0.0010 0.0037 8782 TYR 27 C -0.0033 -0.0015 0.0053 8783 TYR 27 O -0.0036 -0.0020 0.0077 8784 TYR 27 CB 0.0015 -0.0007 0.0037 8785 TYR 27 CG 0.0033 -0.0001 0.0013 8786 TYR 27 CD1 0.0043 0.0000 0.0009 8787 TYR 27 CD2 0.0040 0.0003 -0.0006 8788 TYR 27 CE1 0.0060 0.0006 -0.0013 8789 TYR 27 CE2 0.0056 0.0008 -0.0028 8790 TYR 27 CZ 0.0066 0.0010 -0.0031 8791 TYR 27 OH 0.0083 0.0015 -0.0053 8792 TYR 27 H 0.0009 -0.0012 0.0063 8793 TYR 27 HA -0.0019 -0.0007 0.0017 8794 TYR 27 HB2 0.0027 -0.0009 0.0055 8795 TYR 27 HB3 0.0010 -0.0008 0.0036 8796 TYR 27 HD1 0.0038 -0.0003 0.0023 8797 TYR 27 HD2 0.0031 0.0001 -0.0003 8798 TYR 27 HE1 0.0068 0.0007 -0.0016 8799 TYR 27 HE2 0.0061 0.0011 -0.0042 8800 TYR 27 HH 0.0075 0.0017 -0.0069 8801 MET 28 N -0.0049 -0.0014 0.0038 8802 MET 28 CA -0.0070 -0.0019 0.0050 8803 MET 28 C -0.0058 -0.0019 0.0060 8804 MET 28 O -0.0066 -0.0018 0.0050 8805 MET 28 CB -0.0094 -0.0017 0.0030 8806 MET 28 CG -0.0105 -0.0016 0.0017 8807 MET 28 SD -0.0135 -0.0016 -0.0005 8808 MET 28 CE -0.0141 -0.0014 -0.0017 8809 MET 28 H -0.0046 -0.0010 0.0018 8810 MET 28 HA -0.0078 -0.0022 0.0067 8811 MET 28 HB2 -0.0087 -0.0014 0.0014 8812 MET 28 HB3 -0.0111 -0.0021 0.0040 8813 MET 28 HG2 -0.0111 -0.0020 0.0033 8814 MET 28 HG3 -0.0089 -0.0013 0.0005 8815 MET 28 HE1 -0.0124 -0.0011 -0.0028 8816 MET 28 HE2 -0.0145 -0.0018 0.0000 8817 MET 28 HE3 -0.0159 -0.0014 -0.0030 8818 GLY 29 N -0.0039 -0.0020 0.0079 8819 GLY 29 CA -0.0026 -0.0021 0.0090 8820 GLY 29 C -0.0005 -0.0015 0.0070 8821 GLY 29 O 0.0010 -0.0012 0.0059 8822 GLY 29 H -0.0034 -0.0021 0.0086 8823 GLY 29 HA2 -0.0015 -0.0023 0.0109 8824 GLY 29 HA3 -0.0041 -0.0023 0.0094 8825 ASP 30 N -0.0006 -0.0015 0.0066 8826 ASP 30 CA 0.0013 -0.0009 0.0047 8827 ASP 30 C -0.0001 -0.0006 0.0019 8828 ASP 30 O -0.0014 -0.0006 0.0011 8829 ASP 30 CB 0.0021 -0.0010 0.0056 8830 ASP 30 CG 0.0042 -0.0005 0.0037 8831 ASP 30 OD1 0.0063 -0.0002 0.0033 8832 ASP 30 OD2 0.0037 -0.0003 0.0027 8833 ASP 30 H -0.0019 -0.0018 0.0076 8834 ASP 30 HA 0.0031 -0.0007 0.0046 8835 ASP 30 HB2 0.0029 -0.0013 0.0076 8836 ASP 30 HB3 0.0003 -0.0012 0.0056 8837 SER 31 N -0.0017 -0.0007 -0.0038 8838 SER 31 CA -0.0028 -0.0005 -0.0064 8839 SER 31 C -0.0012 -0.0007 -0.0075 8840 SER 31 O 0.0004 -0.0009 -0.0059 8841 SER 31 CB -0.0058 -0.0002 -0.0060 8842 SER 31 OG -0.0061 -0.0002 -0.0038 8843 SER 31 H -0.0005 -0.0009 -0.0028 8844 SER 31 HA -0.0027 -0.0005 -0.0078 8845 SER 31 HB2 -0.0065 -0.0001 -0.0079 8846 SER 31 HB3 -0.0070 -0.0001 -0.0057 8847 SER 31 HG -0.0070 -0.0002 -0.0023 8848 ASP 32 N -0.0014 -0.0006 -0.0101 8849 ASP 32 CA 0.0001 -0.0007 -0.0113 8850 ASP 32 C -0.0013 -0.0006 -0.0108 8851 ASP 32 O -0.0001 -0.0007 -0.0110 8852 ASP 32 CB 0.0004 -0.0006 -0.0144 8853 ASP 32 CG 0.0020 -0.0008 -0.0158 8854 ASP 32 OD1 0.0045 -0.0011 -0.0152 8855 ASP 32 OD2 0.0009 -0.0006 -0.0176 8856 ASP 32 H -0.0027 -0.0004 -0.0112 8857 ASP 32 HA 0.0021 -0.0009 -0.0104 8858 ASP 32 HB2 0.0014 -0.0007 -0.0148 8859 ASP 32 HB3 -0.0016 -0.0004 -0.0153 8860 VAL 33 N -0.0039 -0.0003 -0.0100 8861 VAL 33 CA -0.0055 -0.0002 -0.0094 8862 VAL 33 C -0.0049 -0.0003 -0.0066 8863 VAL 33 O -0.0046 -0.0004 -0.0046 8864 VAL 33 CB -0.0086 0.0002 -0.0097 8865 VAL 33 CG1 -0.0095 0.0002 -0.0077 8866 VAL 33 CG2 -0.0103 0.0003 -0.0093 8867 VAL 33 H -0.0047 -0.0002 -0.0097 8868 VAL 33 HA -0.0050 -0.0002 -0.0109 8869 VAL 33 HB -0.0090 0.0003 -0.0117 8870 VAL 33 HG11 -0.0117 0.0004 -0.0077 8871 VAL 33 HG12 -0.0089 0.0001 -0.0056 8872 VAL 33 HG13 -0.0086 0.0001 -0.0082 8873 VAL 33 HG21 -0.0124 0.0006 -0.0091 8874 VAL 33 HG22 -0.0100 0.0003 -0.0110 8875 VAL 33 HG23 -0.0097 0.0002 -0.0074 8876 TYR 34 N -0.0048 -0.0003 -0.0064 8877 TYR 34 CA -0.0042 -0.0004 -0.0039 8878 TYR 34 C -0.0056 -0.0003 -0.0039 8879 TYR 34 O -0.0062 -0.0002 -0.0060 8880 TYR 34 CB -0.0011 -0.0008 -0.0035 8881 TYR 34 CG 0.0003 -0.0009 -0.0058 8882 TYR 34 CD1 0.0004 -0.0009 -0.0058 8883 TYR 34 CD2 0.0014 -0.0009 -0.0081 8884 TYR 34 CE1 0.0017 -0.0010 -0.0079 8885 TYR 34 CE2 0.0026 -0.0010 -0.0102 8886 TYR 34 CZ 0.0028 -0.0010 -0.0100 8887 TYR 34 OH 0.0040 -0.0011 -0.0121 8888 TYR 34 H -0.0051 -0.0002 -0.0081 8889 TYR 34 HA -0.0050 -0.0004 -0.0022 8890 TYR 34 HB2 -0.0007 -0.0009 -0.0016 8891 TYR 34 HB3 -0.0002 -0.0009 -0.0034 8892 TYR 34 HD1 -0.0004 -0.0008 -0.0040 8893 TYR 34 HD2 0.0012 -0.0009 -0.0082 8894 TYR 34 HE1 0.0018 -0.0010 -0.0078 8895 TYR 34 HE2 0.0035 -0.0010 -0.0119 8896 TYR 34 HH 0.0030 -0.0009 -0.0138 8897 THR 35 N -0.0061 -0.0003 -0.0014 8898 THR 35 CA -0.0073 -0.0002 -0.0012 8899 THR 35 C -0.0052 -0.0004 -0.0004 8900 THR 35 O -0.0037 -0.0006 0.0015 8901 THR 35 CB -0.0096 0.0000 0.0009 8902 THR 35 OG1 -0.0101 0.0000 0.0018 8903 THR 35 CG2 -0.0122 0.0003 -0.0002 8904 THR 35 H -0.0056 -0.0004 0.0002 8905 THR 35 HA -0.0082 -0.0000 -0.0032 8906 THR 35 HB -0.0090 -0.0001 0.0026 8907 THR 35 HG1 -0.0111 0.0001 0.0035 8908 THR 35 HG21 -0.0129 0.0004 -0.0020 8909 THR 35 HG22 -0.0119 0.0003 -0.0008 8910 THR 35 HG23 -0.0138 0.0004 0.0013 8911 VAL 36 N -0.0052 -0.0004 -0.0020 8912 VAL 36 CA -0.0032 -0.0006 -0.0014 8913 VAL 36 C -0.0043 -0.0005 0.0006 8914 VAL 36 O -0.0062 -0.0003 0.0000 8915 VAL 36 CB -0.0024 -0.0006 -0.0041 8916 VAL 36 CG1 0.0002 -0.0009 -0.0037 8917 VAL 36 CG2 -0.0023 -0.0006 -0.0065 8918 VAL 36 H -0.0065 -0.0002 -0.0034 8919 VAL 36 HA -0.0014 -0.0008 -0.0006 8920 VAL 36 HB -0.0040 -0.0004 -0.0045 8921 VAL 36 HG11 0.0001 -0.0009 -0.0019 8922 VAL 36 HG12 0.0007 -0.0009 -0.0055 8923 VAL 36 HG13 0.0018 -0.0011 -0.0033 8924 VAL 36 HG21 -0.0043 -0.0004 -0.0069 8925 VAL 36 HG22 -0.0009 -0.0007 -0.0061 8926 VAL 36 HG23 -0.0016 -0.0006 -0.0083 8927 HIS 37 N -0.0009 -0.0009 -0.0000 8928 HIS 37 CA -0.0010 -0.0011 -0.0003 8929 HIS 37 C -0.0012 -0.0008 -0.0006 8930 HIS 37 O -0.0012 -0.0005 -0.0005 8931 HIS 37 CB -0.0010 -0.0014 -0.0002 8932 HIS 37 CG -0.0009 -0.0017 0.0001 8933 HIS 37 ND1 -0.0009 -0.0019 -0.0000 8934 HIS 37 CD2 -0.0007 -0.0018 0.0004 8935 HIS 37 CE1 -0.0008 -0.0021 0.0002 8936 HIS 37 NE2 -0.0007 -0.0021 0.0005 8937 HIS 37 H -0.0009 -0.0007 0.0001 8938 HIS 37 HA -0.0011 -0.0013 -0.0005 8939 HIS 37 HB2 -0.0009 -0.0012 0.0000 8940 HIS 37 HB3 -0.0010 -0.0015 -0.0004 8941 HIS 37 HD2 -0.0006 -0.0017 0.0005 8942 HIS 37 HE1 -0.0008 -0.0023 0.0002 8943 HIS 37 HE2 -0.0005 -0.0022 0.0007 8944 HIS 38 N -0.0013 -0.0010 -0.0009 8945 HIS 38 CA -0.0014 -0.0008 -0.0011 8946 HIS 38 C -0.0015 -0.0010 -0.0013 8947 HIS 38 O -0.0014 -0.0013 -0.0012 8948 HIS 38 CB -0.0015 -0.0007 -0.0014 8949 HIS 38 CG -0.0015 -0.0004 -0.0013 8950 HIS 38 ND1 -0.0015 -0.0001 -0.0013 8951 HIS 38 CD2 -0.0015 -0.0006 -0.0013 8952 HIS 38 CE1 -0.0015 0.0001 -0.0012 8953 HIS 38 NE2 -0.0015 -0.0002 -0.0012 8954 HIS 38 H -0.0013 -0.0013 -0.0009 8955 HIS 38 HA -0.0014 -0.0005 -0.0010 8956 HIS 38 HB2 -0.0016 -0.0010 -0.0016 8957 HIS 38 HB3 -0.0016 -0.0005 -0.0016 8958 HIS 38 HD2 -0.0015 -0.0008 -0.0014 8959 HIS 38 HE1 -0.0014 0.0003 -0.0011 8960 HIS 38 HE2 -0.0014 -0.0003 -0.0011 8961 MET 39 N -0.0015 -0.0008 -0.0014 8962 MET 39 CA -0.0016 -0.0010 -0.0015 8963 MET 39 C -0.0017 -0.0007 -0.0018 8964 MET 39 O -0.0017 -0.0004 -0.0018 8965 MET 39 CB -0.0014 -0.0010 -0.0012 8966 MET 39 CG -0.0013 -0.0012 -0.0009 8967 MET 39 SD -0.0011 -0.0012 -0.0005 8968 MET 39 CE -0.0011 -0.0008 -0.0005 8969 MET 39 H -0.0015 -0.0005 -0.0014 8970 MET 39 HA -0.0016 -0.0013 -0.0016 8971 MET 39 HB2 -0.0014 -0.0007 -0.0011 8972 MET 39 HB3 -0.0015 -0.0011 -0.0013 8973 MET 39 HG2 -0.0013 -0.0015 -0.0009 8974 MET 39 HG3 -0.0012 -0.0010 -0.0008 8975 MET 39 HE1 -0.0010 -0.0007 -0.0003 8976 MET 39 HE2 -0.0012 -0.0007 -0.0007 8977 MET 39 HE3 -0.0011 -0.0006 -0.0004 8978 VAL 40 N -0.0018 -0.0009 -0.0021 8979 VAL 40 CA -0.0019 -0.0007 -0.0024 8980 VAL 40 C -0.0019 -0.0005 -0.0022 8981 VAL 40 O -0.0019 -0.0007 -0.0022 8982 VAL 40 CB -0.0021 -0.0010 -0.0027 8983 VAL 40 CG1 -0.0020 -0.0014 -0.0025 8984 VAL 40 CG2 -0.0022 -0.0008 -0.0030 8985 VAL 40 H -0.0018 -0.0012 -0.0020 8986 VAL 40 HA -0.0020 -0.0005 -0.0024 8987 VAL 40 HB -0.0021 -0.0011 -0.0028 8988 VAL 40 HG11 -0.0021 -0.0016 -0.0028 8989 VAL 40 HG12 -0.0019 -0.0013 -0.0024 8990 VAL 40 HG13 -0.0019 -0.0016 -0.0024 8991 VAL 40 HG21 -0.0022 -0.0005 -0.0030 8992 VAL 40 HG22 -0.0022 -0.0008 -0.0029 8993 VAL 40 HG23 -0.0023 -0.0010 -0.0032 8994 TRP 41 N -0.0019 -0.0002 -0.0022 8995 TRP 41 CA -0.0018 0.0001 -0.0021 8996 TRP 41 C -0.0020 0.0001 -0.0023 8997 TRP 41 O -0.0019 0.0001 -0.0022 8998 TRP 41 CB -0.0018 0.0005 -0.0020 8999 TRP 41 CG -0.0017 0.0007 -0.0017 9000 TRP 41 CD1 -0.0017 0.0010 -0.0017 9001 TRP 41 CD2 -0.0015 0.0006 -0.0013 9002 TRP 41 NE1 -0.0015 0.0011 -0.0013 9003 TRP 41 CE2 -0.0014 0.0008 -0.0011 9004 TRP 41 CE3 -0.0014 0.0002 -0.0011 9005 TRP 41 CZ2 -0.0013 0.0008 -0.0007 9006 TRP 41 CZ3 -0.0013 0.0002 -0.0008 9007 TRP 41 CH2 -0.0012 0.0005 -0.0006 9008 TRP 41 H -0.0019 -0.0000 -0.0023 9009 TRP 41 HA -0.0017 -0.0000 -0.0018 9010 TRP 41 HB2 -0.0018 0.0005 -0.0019 9011 TRP 41 HB3 -0.0019 0.0007 -0.0022 9012 TRP 41 HD1 -0.0018 0.0012 -0.0019 9013 TRP 41 HE1 -0.0015 0.0014 -0.0013 9014 TRP 41 HE3 -0.0015 0.0000 -0.0013 9015 TRP 41 HZ2 -0.0012 0.0010 -0.0006 9016 TRP 41 HZ3 -0.0012 -0.0001 -0.0007 9017 TRP 41 HH2 -0.0011 0.0004 -0.0003 9018 HIS 42 N -0.0021 0.0001 -0.0027 9019 HIS 42 CA -0.0022 0.0002 -0.0030 9020 HIS 42 C -0.0024 0.0000 -0.0033 9021 HIS 42 O -0.0024 0.0002 -0.0034 9022 HIS 42 CB -0.0023 0.0006 -0.0030 9023 HIS 42 CG -0.0023 0.0006 -0.0031 9024 HIS 42 ND1 -0.0022 0.0007 -0.0029 9025 HIS 42 CD2 -0.0025 0.0006 -0.0035 9026 HIS 42 CE1 -0.0023 0.0007 -0.0031 9027 HIS 42 NE2 -0.0025 0.0006 -0.0035 9028 HIS 42 H -0.0021 0.0001 -0.0027 9029 HIS 42 HA -0.0022 -0.0000 -0.0029 9030 HIS 42 HB2 -0.0022 0.0007 -0.0027 9031 HIS 42 HB3 -0.0024 0.0007 -0.0032 9032 HIS 42 HD2 -0.0026 0.0005 -0.0037 9033 HIS 42 HE1 -0.0023 0.0008 -0.0030 9034 HIS 42 HE2 -0.0025 0.0006 -0.0036 9035 VAL 43 N -0.0056 0.0002 -0.0062 9036 VAL 43 CA -0.0049 0.0001 -0.0061 9037 VAL 43 C -0.0057 0.0002 -0.0074 9038 VAL 43 O -0.0058 0.0001 -0.0090 9039 VAL 43 CB -0.0029 -0.0002 -0.0063 9040 VAL 43 CG1 -0.0024 -0.0003 -0.0079 9041 VAL 43 CG2 -0.0021 -0.0003 -0.0063 9042 VAL 43 H -0.0057 0.0002 -0.0073 9043 VAL 43 HA -0.0051 0.0002 -0.0048 9044 VAL 43 HB -0.0024 -0.0002 -0.0052 9045 VAL 43 HG11 -0.0028 -0.0002 -0.0078 9046 VAL 43 HG12 -0.0010 -0.0005 -0.0080 9047 VAL 43 HG13 -0.0030 -0.0003 -0.0090 9048 VAL 43 HG21 -0.0024 -0.0002 -0.0051 9049 VAL 43 HG22 -0.0026 -0.0002 -0.0074 9050 VAL 43 HG23 -0.0007 -0.0004 -0.0064 9051 GLU 44 N -0.0063 0.0003 -0.0068 9052 GLU 44 CA -0.0071 0.0004 -0.0078 9053 GLU 44 C -0.0059 0.0001 -0.0090 9054 GLU 44 O -0.0046 -0.0000 -0.0085 9055 GLU 44 CB -0.0080 0.0005 -0.0066 9056 GLU 44 CG -0.0098 0.0008 -0.0061 9057 GLU 44 CD -0.0104 0.0009 -0.0044 9058 GLU 44 OE1 -0.0107 0.0010 -0.0044 9059 GLU 44 OE2 -0.0105 0.0010 -0.0031 9060 GLU 44 H -0.0061 0.0003 -0.0055 9061 GLU 44 HA -0.0081 0.0005 -0.0086 9062 GLU 44 HB2 -0.0072 0.0005 -0.0054 9063 GLU 44 HB3 -0.0080 0.0005 -0.0072 9064 GLU 44 HG2 -0.0107 0.0009 -0.0071 9065 GLU 44 HG3 -0.0099 0.0008 -0.0060 9066 ASP 45 N -0.0063 0.0001 -0.0107 9067 ASP 45 CA -0.0053 -0.0001 -0.0121 9068 ASP 45 C -0.0057 -0.0000 -0.0123 9069 ASP 45 O -0.0054 -0.0001 -0.0136 9070 ASP 45 CB -0.0055 -0.0001 -0.0138 9071 ASP 45 CG -0.0074 0.0001 -0.0144 9072 ASP 45 OD1 -0.0085 0.0003 -0.0135 9073 ASP 45 OD2 -0.0077 0.0001 -0.0158 9074 ASP 45 H -0.0074 0.0002 -0.0110 9075 ASP 45 HA -0.0039 -0.0002 -0.0117 9076 ASP 45 HB2 -0.0047 -0.0003 -0.0148 9077 ASP 45 HB3 -0.0051 -0.0002 -0.0136 9078 GLY 46 N -0.0065 0.0001 -0.0110 9079 GLY 46 CA -0.0071 0.0002 -0.0111 9080 GLY 46 C -0.0056 0.0000 -0.0106 9081 GLY 46 O -0.0058 0.0000 -0.0111 9082 GLY 46 H -0.0068 0.0002 -0.0099 9083 GLY 46 HA2 -0.0076 0.0002 -0.0123 9084 GLY 46 HA3 -0.0081 0.0004 -0.0101 9085 GLY 47 N -0.0043 -0.0001 -0.0098 9086 GLY 47 CA -0.0029 -0.0003 -0.0094 9087 GLY 47 C -0.0015 -0.0004 -0.0081 9088 GLY 47 O -0.0000 -0.0006 -0.0084 9089 GLY 47 H -0.0042 -0.0001 -0.0095 9090 GLY 47 HA2 -0.0022 -0.0004 -0.0105 9091 GLY 47 HA3 -0.0034 -0.0002 -0.0088 9092 PRO 48 N -0.0021 -0.0003 -0.0066 9093 PRO 48 CA -0.0009 -0.0004 -0.0052 9094 PRO 48 C 0.0003 -0.0006 -0.0058 9095 PRO 48 O 0.0011 -0.0007 -0.0072 9096 PRO 48 CB -0.0021 -0.0001 -0.0038 9097 PRO 48 CG -0.0037 0.0001 -0.0041 9098 PRO 48 CD -0.0039 0.0000 -0.0060 9099 PRO 48 HA -0.0001 -0.0005 -0.0047 9100 PRO 48 HB2 -0.0024 -0.0001 -0.0041 9101 PRO 48 HB3 -0.0016 -0.0002 -0.0026 9102 PRO 48 HG2 -0.0048 0.0002 -0.0035 9103 PRO 48 HG3 -0.0035 0.0001 -0.0035 9104 PRO 48 HD2 -0.0045 0.0001 -0.0065 9105 PRO 48 HD3 -0.0046 0.0001 -0.0063 9106 ALA 49 N -0.0010 0.0005 -0.0052 9107 ALA 49 CA -0.0003 0.0005 -0.0054 9108 ALA 49 C -0.0003 0.0007 -0.0069 9109 ALA 49 O 0.0008 0.0006 -0.0073 9110 ALA 49 CB -0.0011 0.0004 -0.0043 9111 ALA 49 H -0.0016 0.0005 -0.0044 9112 ALA 49 HA 0.0007 0.0002 -0.0050 9113 ALA 49 HB1 -0.0003 0.0002 -0.0036 9114 ALA 49 HB2 -0.0016 0.0006 -0.0050 9115 ALA 49 HB3 -0.0019 0.0004 -0.0037 9116 SER 50 N -0.0014 0.0010 -0.0077 9117 SER 50 CA -0.0014 0.0013 -0.0091 9118 SER 50 C -0.0002 0.0012 -0.0101 9119 SER 50 O 0.0007 0.0012 -0.0107 9120 SER 50 CB -0.0028 0.0016 -0.0098 9121 SER 50 OG -0.0037 0.0017 -0.0097 9122 SER 50 H -0.0022 0.0011 -0.0073 9123 SER 50 HA -0.0012 0.0012 -0.0091 9124 SER 50 HB2 -0.0034 0.0016 -0.0092 9125 SER 50 HB3 -0.0027 0.0018 -0.0109 9126 SER 50 HG -0.0031 0.0016 -0.0096 9127 GLU 51 N -0.0003 0.0013 -0.0102 9128 GLU 51 CA 0.0007 0.0013 -0.0112 9129 GLU 51 C 0.0022 0.0009 -0.0106 9130 GLU 51 O 0.0033 0.0009 -0.0114 9131 GLU 51 CB 0.0003 0.0014 -0.0113 9132 GLU 51 CG -0.0012 0.0017 -0.0117 9133 GLU 51 CD -0.0014 0.0019 -0.0129 9134 GLU 51 OE1 -0.0014 0.0019 -0.0126 9135 GLU 51 OE2 -0.0014 0.0021 -0.0141 9136 GLU 51 H -0.0010 0.0013 -0.0097 9137 GLU 51 HA 0.0007 0.0014 -0.0122 9138 GLU 51 HB2 0.0004 0.0012 -0.0102 9139 GLU 51 HB3 0.0010 0.0014 -0.0120 9140 GLU 51 HG2 -0.0016 0.0018 -0.0121 9141 GLU 51 HG3 -0.0019 0.0016 -0.0108 9142 ALA 52 N 0.0023 0.0007 -0.0092 9143 ALA 52 CA 0.0036 0.0004 -0.0085 9144 ALA 52 C 0.0043 0.0003 -0.0090 9145 ALA 52 O 0.0056 0.0001 -0.0089 9146 ALA 52 CB 0.0034 0.0001 -0.0069 9147 ALA 52 H 0.0014 0.0007 -0.0087 9148 ALA 52 HA 0.0043 0.0003 -0.0088 9149 ALA 52 HB1 0.0032 0.0001 -0.0065 9150 ALA 52 HB2 0.0025 0.0002 -0.0066 9151 ALA 52 HB3 0.0043 -0.0001 -0.0064 9152 GLY 53 N 0.0035 0.0005 -0.0094 9153 GLY 53 CA 0.0040 0.0005 -0.0099 9154 GLY 53 C 0.0032 0.0006 -0.0093 9155 GLY 53 O 0.0034 0.0006 -0.0098 9156 GLY 53 H 0.0024 0.0007 -0.0094 9157 GLY 53 HA2 0.0040 0.0007 -0.0111 9158 GLY 53 HA3 0.0051 0.0003 -0.0096 9159 LEU 54 N 0.0023 0.0005 -0.0083 9160 LEU 54 CA 0.0014 0.0006 -0.0076 9161 LEU 54 C 0.0003 0.0009 -0.0086 9162 LEU 54 O -0.0007 0.0011 -0.0090 9163 LEU 54 CB 0.0007 0.0004 -0.0062 9164 LEU 54 CG 0.0005 0.0003 -0.0051 9165 LEU 54 CD1 -0.0002 0.0002 -0.0037 9166 LEU 54 CD2 -0.0003 0.0005 -0.0056 9167 LEU 54 H 0.0021 0.0005 -0.0079 9168 LEU 54 HA 0.0022 0.0004 -0.0074 9169 LEU 54 HB2 0.0013 0.0003 -0.0058 9170 LEU 54 HB3 -0.0003 0.0006 -0.0064 9171 LEU 54 HG 0.0015 0.0001 -0.0048 9172 LEU 54 HD11 0.0005 -0.0000 -0.0032 9173 LEU 54 HD12 -0.0005 0.0001 -0.0030 9174 LEU 54 HD13 -0.0012 0.0004 -0.0040 9175 LEU 54 HD21 -0.0014 0.0007 -0.0058 9176 LEU 54 HD22 -0.0003 0.0004 -0.0049 9177 LEU 54 HD23 0.0002 0.0006 -0.0066 9178 ARG 55 N 0.0001 0.0011 -0.0037 9179 ARG 55 CA -0.0001 0.0012 -0.0038 9180 ARG 55 C -0.0002 0.0012 -0.0036 9181 ARG 55 O -0.0002 0.0011 -0.0034 9182 ARG 55 CB 0.0000 0.0011 -0.0039 9183 ARG 55 CG 0.0002 0.0010 -0.0037 9184 ARG 55 CD 0.0001 0.0011 -0.0036 9185 ARG 55 NE -0.0000 0.0011 -0.0038 9186 ARG 55 CZ 0.0000 0.0011 -0.0038 9187 ARG 55 NH1 0.0002 0.0010 -0.0037 9188 ARG 55 NH2 -0.0000 0.0012 -0.0039 9189 ARG 55 H 0.0002 0.0010 -0.0036 9190 ARG 55 HA -0.0001 0.0012 -0.0039 9191 ARG 55 HB2 -0.0001 0.0012 -0.0039 9192 ARG 55 HB3 0.0001 0.0011 -0.0040 9193 ARG 55 HG2 0.0003 0.0010 -0.0038 9194 ARG 55 HG3 0.0002 0.0010 -0.0036 9195 ARG 55 HD2 0.0002 0.0010 -0.0035 9196 ARG 55 HD3 -0.0001 0.0011 -0.0035 9197 ARG 55 HE -0.0001 0.0012 -0.0039 9198 ARG 55 HH11 0.0002 0.0009 -0.0035 9199 ARG 55 HH12 0.0002 0.0010 -0.0037 9200 ARG 55 HH21 -0.0001 0.0013 -0.0041 9201 ARG 55 HH22 0.0000 0.0012 -0.0039 9202 GLN 56 N -0.0004 0.0013 -0.0036 9203 GLN 56 CA -0.0006 0.0014 -0.0035 9204 GLN 56 C -0.0006 0.0014 -0.0034 9205 GLN 56 O -0.0005 0.0014 -0.0035 9206 GLN 56 CB -0.0008 0.0015 -0.0036 9207 GLN 56 CG -0.0010 0.0016 -0.0034 9208 GLN 56 CD -0.0012 0.0017 -0.0035 9209 GLN 56 OE1 -0.0011 0.0017 -0.0036 9210 GLN 56 NE2 -0.0013 0.0018 -0.0034 9211 GLN 56 H -0.0004 0.0014 -0.0038 9212 GLN 56 HA -0.0006 0.0013 -0.0033 9213 GLN 56 HB2 -0.0008 0.0015 -0.0036 9214 GLN 56 HB3 -0.0008 0.0015 -0.0037 9215 GLN 56 HG2 -0.0010 0.0016 -0.0034 9216 GLN 56 HG3 -0.0009 0.0015 -0.0033 9217 GLN 56 HE21 -0.0013 0.0018 -0.0033 9218 GLN 56 HE22 -0.0015 0.0019 -0.0035 9219 GLY 57 N -0.0007 0.0013 -0.0032 9220 GLY 57 CA -0.0007 0.0013 -0.0031 9221 GLY 57 C -0.0005 0.0012 -0.0030 9222 GLY 57 O -0.0004 0.0012 -0.0029 9223 GLY 57 H -0.0007 0.0013 -0.0031 9224 GLY 57 HA2 -0.0008 0.0014 -0.0029 9225 GLY 57 HA3 -0.0007 0.0014 -0.0032 9226 ASP 58 N -0.0003 0.0011 -0.0030 9227 ASP 58 CA -0.0001 0.0010 -0.0029 9228 ASP 58 C -0.0001 0.0009 -0.0027 9229 ASP 58 O -0.0003 0.0010 -0.0026 9230 ASP 58 CB 0.0000 0.0009 -0.0030 9231 ASP 58 CG 0.0002 0.0008 -0.0031 9232 ASP 58 OD1 0.0003 0.0008 -0.0029 9233 ASP 58 OD2 0.0004 0.0008 -0.0032 9234 ASP 58 H -0.0004 0.0011 -0.0030 9235 ASP 58 HA -0.0001 0.0010 -0.0029 9236 ASP 58 HB2 -0.0000 0.0010 -0.0032 9237 ASP 58 HB3 0.0000 0.0009 -0.0029 9238 LEU 59 N -0.0000 0.0008 -0.0025 9239 LEU 59 CA -0.0000 0.0008 -0.0023 9240 LEU 59 C 0.0001 0.0007 -0.0022 9241 LEU 59 O 0.0003 0.0006 -0.0023 9242 LEU 59 CB -0.0000 0.0008 -0.0022 9243 LEU 59 CG 0.0001 0.0007 -0.0020 9244 LEU 59 CD1 -0.0001 0.0007 -0.0018 9245 LEU 59 CD2 0.0002 0.0006 -0.0019 9246 LEU 59 H 0.0000 0.0008 -0.0026 9247 LEU 59 HA -0.0002 0.0009 -0.0022 9248 LEU 59 HB2 -0.0002 0.0008 -0.0022 9249 LEU 59 HB3 0.0001 0.0007 -0.0023 9250 LEU 59 HG 0.0002 0.0006 -0.0020 9251 LEU 59 HD11 -0.0002 0.0007 -0.0018 9252 LEU 59 HD12 -0.0000 0.0006 -0.0016 9253 LEU 59 HD13 -0.0002 0.0008 -0.0018 9254 LEU 59 HD21 0.0001 0.0006 -0.0020 9255 LEU 59 HD22 0.0002 0.0005 -0.0018 9256 LEU 59 HD23 0.0003 0.0005 -0.0020 9257 ILE 60 N 0.0001 0.0007 -0.0021 9258 ILE 60 CA 0.0002 0.0006 -0.0020 9259 ILE 60 C 0.0003 0.0005 -0.0018 9260 ILE 60 O 0.0002 0.0005 -0.0017 9261 ILE 60 CB 0.0001 0.0006 -0.0020 9262 ILE 60 CG1 0.0001 0.0007 -0.0022 9263 ILE 60 CG2 0.0003 0.0005 -0.0019 9264 ILE 60 CD1 -0.0001 0.0008 -0.0022 9265 ILE 60 H -0.0001 0.0007 -0.0020 9266 ILE 60 HA 0.0003 0.0005 -0.0022 9267 ILE 60 HB 0.0000 0.0007 -0.0018 9268 ILE 60 HG12 0.0000 0.0007 -0.0021 9269 ILE 60 HG13 0.0002 0.0007 -0.0023 9270 ILE 60 HG21 0.0002 0.0005 -0.0018 9271 ILE 60 HG22 0.0004 0.0005 -0.0020 9272 ILE 60 HG23 0.0003 0.0004 -0.0017 9273 ILE 60 HD11 -0.0003 0.0009 -0.0021 9274 ILE 60 HD12 -0.0001 0.0008 -0.0023 9275 ILE 60 HD13 -0.0002 0.0009 -0.0024 9276 THR 61 N -0.0001 0.0025 -0.0034 9277 THR 61 CA -0.0001 0.0026 -0.0035 9278 THR 61 C 0.0004 0.0022 -0.0028 9279 THR 61 O 0.0002 0.0018 -0.0027 9280 THR 61 CB 0.0001 0.0036 -0.0040 9281 THR 61 OG1 0.0009 0.0041 -0.0035 9282 THR 61 CG2 -0.0003 0.0040 -0.0047 9283 THR 61 H 0.0003 0.0029 -0.0033 9284 THR 61 HA -0.0007 0.0023 -0.0039 9285 THR 61 HB 0.0000 0.0036 -0.0041 9286 THR 61 HG1 0.0012 0.0040 -0.0032 9287 THR 61 HG21 -0.0002 0.0040 -0.0046 9288 THR 61 HG22 -0.0009 0.0036 -0.0050 9289 THR 61 HG23 -0.0002 0.0047 -0.0050 9290 HIS 62 N 0.0010 0.0023 -0.0022 9291 HIS 62 CA 0.0016 0.0020 -0.0015 9292 HIS 62 C 0.0019 0.0017 -0.0009 9293 HIS 62 O 0.0020 0.0019 -0.0010 9294 HIS 62 CB 0.0022 0.0028 -0.0014 9295 HIS 62 CG 0.0019 0.0032 -0.0019 9296 HIS 62 ND1 0.0018 0.0040 -0.0026 9297 HIS 62 CD2 0.0018 0.0029 -0.0019 9298 HIS 62 CE1 0.0016 0.0041 -0.0029 9299 HIS 62 NE2 0.0015 0.0036 -0.0025 9300 HIS 62 H 0.0011 0.0026 -0.0023 9301 HIS 62 HA 0.0013 0.0015 -0.0014 9302 HIS 62 HB2 0.0025 0.0033 -0.0014 9303 HIS 62 HB3 0.0026 0.0025 -0.0008 9304 HIS 62 HD2 0.0018 0.0024 -0.0015 9305 HIS 62 HE1 0.0014 0.0047 -0.0035 9306 HIS 62 HE2 0.0015 0.0036 -0.0026 9307 VAL 63 N 0.0022 0.0011 -0.0002 9308 VAL 63 CA 0.0026 0.0007 0.0005 9309 VAL 63 C 0.0033 0.0006 0.0012 9310 VAL 63 O 0.0032 0.0002 0.0014 9311 VAL 63 CB 0.0021 -0.0002 0.0005 9312 VAL 63 CG1 0.0017 -0.0009 0.0007 9313 VAL 63 CG2 0.0025 -0.0005 0.0012 9314 VAL 63 H 0.0022 0.0009 -0.0001 9315 VAL 63 HA 0.0029 0.0012 0.0004 9316 VAL 63 HB 0.0016 -0.0001 0.0000 9317 VAL 63 HG11 0.0014 -0.0006 0.0002 9318 VAL 63 HG12 0.0013 -0.0015 0.0007 9319 VAL 63 HG13 0.0022 -0.0010 0.0012 9320 VAL 63 HG21 0.0022 -0.0012 0.0014 9321 VAL 63 HG22 0.0025 -0.0002 0.0009 9322 VAL 63 HG23 0.0031 -0.0003 0.0016 9323 ASN 64 N 0.0040 0.0010 0.0016 9324 ASN 64 CA 0.0047 0.0010 0.0023 9325 ASN 64 C 0.0048 0.0013 0.0021 9326 ASN 64 O 0.0051 0.0011 0.0026 9327 ASN 64 CB 0.0046 0.0000 0.0029 9328 ASN 64 CG 0.0054 0.0000 0.0037 9329 ASN 64 OD1 0.0060 0.0006 0.0038 9330 ASN 64 ND2 0.0054 -0.0007 0.0042 9331 ASN 64 H 0.0040 0.0014 0.0014 9332 ASN 64 HA 0.0052 0.0014 0.0025 9333 ASN 64 HB2 0.0043 -0.0003 0.0028 9334 ASN 64 HB3 0.0043 -0.0003 0.0028 9335 ASN 64 HD21 0.0050 -0.0012 0.0041 9336 ASN 64 HD22 0.0060 -0.0008 0.0047 9337 GLY 65 N 0.0044 0.0019 0.0014 9338 GLY 65 CA 0.0045 0.0022 0.0012 9339 GLY 65 C 0.0039 0.0016 0.0011 9340 GLY 65 O 0.0041 0.0015 0.0014 9341 GLY 65 H 0.0042 0.0021 0.0010 9342 GLY 65 HA2 0.0043 0.0028 0.0007 9343 GLY 65 HA3 0.0051 0.0024 0.0017 9344 GLU 66 N 0.0032 0.0011 0.0008 9345 GLU 66 CA 0.0026 0.0004 0.0007 9346 GLU 66 C 0.0019 0.0004 -0.0001 9347 GLU 66 O 0.0016 0.0001 -0.0001 9348 GLU 66 CB 0.0027 -0.0004 0.0013 9349 GLU 66 CG 0.0024 -0.0011 0.0015 9350 GLU 66 CD 0.0028 -0.0008 0.0016 9351 GLU 66 OE1 0.0026 -0.0003 0.0011 9352 GLU 66 OE2 0.0033 -0.0010 0.0023 9353 GLU 66 H 0.0031 0.0012 0.0006 9354 GLU 66 HA 0.0027 0.0006 0.0006 9355 GLU 66 HB2 0.0033 -0.0003 0.0018 9356 GLU 66 HB3 0.0024 -0.0007 0.0012 9357 GLU 66 HG2 0.0025 -0.0017 0.0020 9358 GLU 66 HG3 0.0018 -0.0013 0.0010 9359 PRO 67 N 0.0000 0.0006 -0.0009 9360 PRO 67 CA -0.0003 0.0007 -0.0011 9361 PRO 67 C -0.0003 0.0004 -0.0011 9362 PRO 67 O -0.0004 0.0001 -0.0010 9363 PRO 67 CB -0.0005 0.0007 -0.0012 9364 PRO 67 CG -0.0003 0.0007 -0.0011 9365 PRO 67 CD 0.0000 0.0007 -0.0010 9366 PRO 67 HA -0.0002 0.0010 -0.0011 9367 PRO 67 HB2 -0.0006 0.0004 -0.0012 9368 PRO 67 HB3 -0.0007 0.0008 -0.0013 9369 PRO 67 HG2 -0.0004 0.0005 -0.0011 9370 PRO 67 HG3 -0.0003 0.0010 -0.0012 9371 PRO 67 HD2 0.0001 0.0004 -0.0009 9372 PRO 67 HD3 0.0002 0.0009 -0.0009 9373 VAL 68 N -0.0004 0.0006 -0.0011 9374 VAL 68 CA -0.0005 0.0004 -0.0011 9375 VAL 68 C -0.0009 0.0003 -0.0013 9376 VAL 68 O -0.0010 0.0001 -0.0013 9377 VAL 68 CB -0.0004 0.0006 -0.0011 9378 VAL 68 CG1 -0.0000 0.0007 -0.0010 9379 VAL 68 CG2 -0.0006 0.0009 -0.0013 9380 VAL 68 H -0.0004 0.0008 -0.0012 9381 VAL 68 HA -0.0004 0.0001 -0.0010 9382 VAL 68 HB -0.0005 0.0004 -0.0011 9383 VAL 68 HG11 0.0000 0.0008 -0.0010 9384 VAL 68 HG12 0.0001 0.0004 -0.0009 9385 VAL 68 HG13 0.0000 0.0008 -0.0010 9386 VAL 68 HG21 -0.0009 0.0008 -0.0014 9387 VAL 68 HG22 -0.0005 0.0011 -0.0013 9388 VAL 68 HG23 -0.0005 0.0010 -0.0012 9389 HIS 69 N -0.0010 0.0004 -0.0014 9390 HIS 69 CA -0.0013 0.0004 -0.0015 9391 HIS 69 C -0.0015 0.0000 -0.0015 9392 HIS 69 O -0.0014 -0.0001 -0.0015 9393 HIS 69 CB -0.0014 0.0006 -0.0016 9394 HIS 69 CG -0.0014 0.0010 -0.0016 9395 HIS 69 ND1 -0.0016 0.0012 -0.0017 9396 HIS 69 CD2 -0.0013 0.0012 -0.0016 9397 HIS 69 CE1 -0.0016 0.0015 -0.0018 9398 HIS 69 NE2 -0.0014 0.0015 -0.0017 9399 HIS 69 H -0.0009 0.0006 -0.0013 9400 HIS 69 HA -0.0015 0.0005 -0.0016 9401 HIS 69 HB2 -0.0012 0.0006 -0.0015 9402 HIS 69 HB3 -0.0016 0.0005 -0.0016 9403 HIS 69 HD2 -0.0011 0.0011 -0.0015 9404 HIS 69 HE1 -0.0017 0.0018 -0.0018 9405 HIS 69 HE2 -0.0013 0.0017 -0.0017 9406 GLY 70 N -0.0016 -0.0002 -0.0015 9407 GLY 70 CA -0.0017 -0.0005 -0.0015 9408 GLY 70 C -0.0015 -0.0008 -0.0014 9409 GLY 70 O -0.0016 -0.0011 -0.0014 9410 GLY 70 H -0.0016 -0.0000 -0.0015 9411 GLY 70 HA2 -0.0019 -0.0005 -0.0016 9412 GLY 70 HA3 -0.0017 -0.0006 -0.0015 9413 LEU 71 N -0.0012 -0.0006 -0.0013 9414 LEU 71 CA -0.0010 -0.0008 -0.0012 9415 LEU 71 C -0.0011 -0.0009 -0.0012 9416 LEU 71 O -0.0012 -0.0007 -0.0013 9417 LEU 71 CB -0.0006 -0.0007 -0.0010 9418 LEU 71 CG -0.0005 -0.0006 -0.0010 9419 LEU 71 CD1 -0.0001 -0.0005 -0.0008 9420 LEU 71 CD2 -0.0005 -0.0009 -0.0009 9421 LEU 71 H -0.0011 -0.0004 -0.0013 9422 LEU 71 HA -0.0010 -0.0011 -0.0011 9423 LEU 71 HB2 -0.0007 -0.0004 -0.0011 9424 LEU 71 HB3 -0.0005 -0.0008 -0.0010 9425 LEU 71 HG -0.0006 -0.0004 -0.0010 9426 LEU 71 HD11 -0.0001 -0.0002 -0.0009 9427 LEU 71 HD12 0.0000 -0.0005 -0.0008 9428 LEU 71 HD13 0.0000 -0.0007 -0.0008 9429 LEU 71 HD21 -0.0007 -0.0010 -0.0010 9430 LEU 71 HD22 -0.0004 -0.0012 -0.0009 9431 LEU 71 HD23 -0.0003 -0.0009 -0.0009 9432 VAL 72 N -0.0010 -0.0012 -0.0011 9433 VAL 72 CA -0.0012 -0.0013 -0.0012 9434 VAL 72 C -0.0009 -0.0011 -0.0011 9435 VAL 72 O -0.0007 -0.0010 -0.0010 9436 VAL 72 CB -0.0012 -0.0017 -0.0011 9437 VAL 72 CG1 -0.0009 -0.0018 -0.0010 9438 VAL 72 CG2 -0.0015 -0.0018 -0.0012 9439 VAL 72 H -0.0009 -0.0014 -0.0011 9440 VAL 72 HA -0.0014 -0.0012 -0.0013 9441 VAL 72 HB -0.0012 -0.0018 -0.0011 9442 VAL 72 HG11 -0.0007 -0.0017 -0.0009 9443 VAL 72 HG12 -0.0009 -0.0021 -0.0009 9444 VAL 72 HG13 -0.0009 -0.0018 -0.0010 9445 VAL 72 HG21 -0.0015 -0.0017 -0.0012 9446 VAL 72 HG22 -0.0015 -0.0021 -0.0012 9447 VAL 72 HG23 -0.0017 -0.0017 -0.0013 9448 HIS 73 N -0.0016 -0.0015 0.0003 9449 HIS 73 CA -0.0017 -0.0015 0.0002 9450 HIS 73 C -0.0015 -0.0015 0.0005 9451 HIS 73 O -0.0013 -0.0014 0.0005 9452 HIS 73 CB -0.0020 -0.0017 0.0002 9453 HIS 73 CG -0.0021 -0.0016 -0.0000 9454 HIS 73 ND1 -0.0023 -0.0016 -0.0004 9455 HIS 73 CD2 -0.0020 -0.0016 0.0000 9456 HIS 73 CE1 -0.0023 -0.0015 -0.0005 9457 HIS 73 NE2 -0.0022 -0.0015 -0.0003 9458 HIS 73 H -0.0018 -0.0016 0.0002 9459 HIS 73 HA -0.0016 -0.0013 0.0000 9460 HIS 73 HB2 -0.0022 -0.0017 0.0000 9461 HIS 73 HB3 -0.0021 -0.0019 0.0004 9462 HIS 73 HD1 -0.0024 -0.0016 -0.0005 9463 HIS 73 HD2 -0.0018 -0.0016 0.0003 9464 HIS 73 HE1 -0.0025 -0.0015 -0.0007 9465 THR 74 N -0.0015 -0.0017 0.0008 9466 THR 74 CA -0.0013 -0.0018 0.0011 9467 THR 74 C -0.0010 -0.0016 0.0013 9468 THR 74 O -0.0008 -0.0016 0.0015 9469 THR 74 CB -0.0015 -0.0021 0.0014 9470 THR 74 OG1 -0.0015 -0.0021 0.0015 9471 THR 74 CG2 -0.0019 -0.0022 0.0012 9472 THR 74 H -0.0016 -0.0018 0.0008 9473 THR 74 HA -0.0013 -0.0017 0.0011 9474 THR 74 HB -0.0014 -0.0021 0.0016 9475 THR 74 HG1 -0.0017 -0.0022 0.0015 9476 THR 74 HG21 -0.0019 -0.0022 0.0011 9477 THR 74 HG22 -0.0020 -0.0024 0.0014 9478 THR 74 HG23 -0.0020 -0.0022 0.0010 9479 GLU 75 N -0.0009 -0.0015 0.0012 9480 GLU 75 CA -0.0006 -0.0014 0.0013 9481 GLU 75 C -0.0003 -0.0011 0.0012 9482 GLU 75 O -0.0001 -0.0011 0.0014 9483 GLU 75 CB -0.0006 -0.0013 0.0012 9484 GLU 75 CG -0.0007 -0.0015 0.0014 9485 GLU 75 CD -0.0006 -0.0014 0.0014 9486 GLU 75 OE1 -0.0007 -0.0014 0.0012 9487 GLU 75 OE2 -0.0003 -0.0013 0.0016 9488 GLU 75 H -0.0011 -0.0015 0.0010 9489 GLU 75 HA -0.0005 -0.0015 0.0016 9490 GLU 75 HB2 -0.0007 -0.0013 0.0010 9491 GLU 75 HB3 -0.0003 -0.0011 0.0012 9492 GLU 75 HG2 -0.0006 -0.0016 0.0017 9493 GLU 75 HG3 -0.0009 -0.0016 0.0014 9494 VAL 76 N -0.0004 -0.0010 0.0009 9495 VAL 76 CA -0.0002 -0.0008 0.0008 9496 VAL 76 C -0.0001 -0.0008 0.0010 9497 VAL 76 O 0.0001 -0.0007 0.0011 9498 VAL 76 CB -0.0003 -0.0006 0.0004 9499 VAL 76 CG1 -0.0003 -0.0005 0.0002 9500 VAL 76 CG2 -0.0007 -0.0008 0.0003 9501 VAL 76 H -0.0006 -0.0010 0.0007 9502 VAL 76 HA 0.0000 -0.0006 0.0008 9503 VAL 76 HB -0.0002 -0.0005 0.0003 9504 VAL 76 HG11 -0.0004 -0.0006 0.0002 9505 VAL 76 HG12 -0.0000 -0.0003 0.0003 9506 VAL 76 HG13 -0.0003 -0.0003 -0.0001 9507 VAL 76 HG21 -0.0007 -0.0008 0.0002 9508 VAL 76 HG22 -0.0008 -0.0010 0.0005 9509 VAL 76 HG23 -0.0008 -0.0007 0.0000 9510 VAL 77 N -0.0004 -0.0010 0.0010 9511 VAL 77 CA -0.0004 -0.0011 0.0012 9512 VAL 77 C -0.0002 -0.0012 0.0015 9513 VAL 77 O 0.0000 -0.0011 0.0016 9514 VAL 77 CB -0.0008 -0.0014 0.0012 9515 VAL 77 CG1 -0.0008 -0.0015 0.0014 9516 VAL 77 CG2 -0.0010 -0.0013 0.0008 9517 VAL 77 H -0.0006 -0.0011 0.0009 9518 VAL 77 HA -0.0003 -0.0010 0.0010 9519 VAL 77 HB -0.0008 -0.0015 0.0013 9520 VAL 77 HG11 -0.0006 -0.0014 0.0013 9521 VAL 77 HG12 -0.0007 -0.0016 0.0017 9522 VAL 77 HG13 -0.0010 -0.0017 0.0014 9523 VAL 77 HG21 -0.0012 -0.0015 0.0008 9524 VAL 77 HG22 -0.0009 -0.0012 0.0007 9525 VAL 77 HG23 -0.0010 -0.0013 0.0007 9526 GLU 78 N -0.0002 -0.0013 0.0017 9527 GLU 78 CA -0.0000 -0.0014 0.0021 9528 GLU 78 C 0.0003 -0.0011 0.0021 9529 GLU 78 O 0.0006 -0.0011 0.0023 9530 GLU 78 CB -0.0001 -0.0015 0.0022 9531 GLU 78 CG -0.0004 -0.0018 0.0023 9532 GLU 78 CD -0.0005 -0.0020 0.0025 9533 GLU 78 OE1 -0.0004 -0.0019 0.0024 9534 GLU 78 OE2 -0.0006 -0.0022 0.0027 9535 GLU 78 H -0.0004 -0.0014 0.0016 9536 GLU 78 HA -0.0000 -0.0015 0.0022 9537 GLU 78 HB2 -0.0002 -0.0015 0.0020 9538 GLU 78 HB3 0.0001 -0.0015 0.0024 9539 GLU 78 HG2 -0.0004 -0.0019 0.0025 9540 GLU 78 HG3 -0.0006 -0.0018 0.0021 9541 LEU 79 N 0.0007 -0.0023 0.0039 9542 LEU 79 CA 0.0016 -0.0015 0.0039 9543 LEU 79 C 0.0020 -0.0012 0.0039 9544 LEU 79 O 0.0028 -0.0008 0.0044 9545 LEU 79 CB 0.0016 -0.0010 0.0029 9546 LEU 79 CG 0.0023 -0.0005 0.0030 9547 LEU 79 CD1 0.0032 0.0000 0.0035 9548 LEU 79 CD2 0.0020 -0.0011 0.0036 9549 LEU 79 H 0.0002 -0.0025 0.0034 9550 LEU 79 HA 0.0020 -0.0016 0.0045 9551 LEU 79 HB2 0.0010 -0.0013 0.0025 9552 LEU 79 HB3 0.0018 -0.0006 0.0024 9553 LEU 79 HG 0.0022 -0.0001 0.0022 9554 LEU 79 HD11 0.0034 0.0004 0.0031 9555 LEU 79 HD12 0.0037 0.0004 0.0035 9556 LEU 79 HD13 0.0033 -0.0003 0.0043 9557 LEU 79 HD21 0.0013 -0.0015 0.0032 9558 LEU 79 HD22 0.0021 -0.0014 0.0044 9559 LEU 79 HD23 0.0024 -0.0007 0.0036 9560 ILE 80 N 0.0015 -0.0014 0.0034 9561 ILE 80 CA 0.0017 -0.0011 0.0033 9562 ILE 80 C 0.0018 -0.0016 0.0043 9563 ILE 80 O 0.0025 -0.0013 0.0048 9564 ILE 80 CB 0.0011 -0.0012 0.0024 9565 ILE 80 CG1 0.0012 -0.0006 0.0014 9566 ILE 80 CG2 0.0012 -0.0012 0.0025 9567 ILE 80 CD1 0.0003 -0.0008 0.0005 9568 ILE 80 H 0.0008 -0.0017 0.0030 9569 ILE 80 HA 0.0024 -0.0005 0.0032 9570 ILE 80 HB 0.0004 -0.0018 0.0024 9571 ILE 80 HG12 0.0017 -0.0001 0.0012 9572 ILE 80 HG13 0.0014 -0.0004 0.0015 9573 ILE 80 HG21 0.0009 -0.0010 0.0018 9574 ILE 80 HG22 0.0019 -0.0007 0.0028 9575 ILE 80 HG23 0.0009 -0.0018 0.0031 9576 ILE 80 HD11 0.0005 -0.0003 -0.0002 9577 ILE 80 HD12 0.0001 -0.0009 0.0004 9578 ILE 80 HD13 -0.0002 -0.0013 0.0007 9579 LEU 81 N 0.0011 -0.0024 0.0047 9580 LEU 81 CA 0.0011 -0.0029 0.0057 9581 LEU 81 C 0.0019 -0.0027 0.0066 9582 LEU 81 O 0.0024 -0.0027 0.0072 9583 LEU 81 CB 0.0003 -0.0038 0.0059 9584 LEU 81 CG -0.0006 -0.0041 0.0051 9585 LEU 81 CD1 -0.0014 -0.0049 0.0054 9586 LEU 81 CD2 -0.0006 -0.0040 0.0051 9587 LEU 81 H 0.0006 -0.0026 0.0043 9588 LEU 81 HA 0.0012 -0.0028 0.0056 9589 LEU 81 HB2 0.0002 -0.0039 0.0060 9590 LEU 81 HB3 0.0003 -0.0042 0.0067 9591 LEU 81 HG -0.0006 -0.0037 0.0044 9592 LEU 81 HD11 -0.0014 -0.0050 0.0054 9593 LEU 81 HD12 -0.0020 -0.0051 0.0048 9594 LEU 81 HD13 -0.0014 -0.0053 0.0061 9595 LEU 81 HD21 -0.0005 -0.0044 0.0058 9596 LEU 81 HD22 -0.0012 -0.0043 0.0046 9597 LEU 81 HD23 -0.0001 -0.0034 0.0048 9598 LYS 82 N 0.0021 -0.0026 0.0066 9599 LYS 82 CA 0.0029 -0.0024 0.0074 9600 LYS 82 C 0.0038 -0.0017 0.0074 9601 LYS 82 O 0.0043 -0.0016 0.0083 9602 LYS 82 CB 0.0029 -0.0023 0.0072 9603 LYS 82 CG 0.0033 -0.0024 0.0081 9604 LYS 82 CD 0.0037 -0.0019 0.0078 9605 LYS 82 CE 0.0030 -0.0023 0.0074 9606 LYS 82 NZ 0.0034 -0.0020 0.0074 9607 LYS 82 H 0.0017 -0.0026 0.0060 9608 LYS 82 HA 0.0027 -0.0029 0.0081 9609 LYS 82 HB2 0.0022 -0.0027 0.0069 9610 LYS 82 HB3 0.0032 -0.0017 0.0066 9611 LYS 82 HG2 0.0039 -0.0022 0.0086 9612 LYS 82 HG3 0.0029 -0.0030 0.0085 9613 LYS 82 HD2 0.0040 -0.0013 0.0073 9614 LYS 82 HD3 0.0042 -0.0019 0.0085 9615 LYS 82 HE2 0.0025 -0.0029 0.0079 9616 LYS 82 HE3 0.0026 -0.0022 0.0066 9617 LYS 82 HZ1 0.0039 -0.0013 0.0070 9618 LYS 82 HZ2 0.0029 -0.0022 0.0070 9619 LYS 82 HZ3 0.0037 -0.0021 0.0081 9620 SER 83 N 0.0039 -0.0011 0.0065 9621 SER 83 CA 0.0047 -0.0003 0.0064 9622 SER 83 C 0.0050 -0.0004 0.0071 9623 SER 83 O 0.0058 -0.0001 0.0077 9624 SER 83 CB 0.0046 0.0002 0.0053 9625 SER 83 OG 0.0054 0.0010 0.0051 9626 SER 83 H 0.0034 -0.0012 0.0059 9627 SER 83 HA 0.0052 -0.0000 0.0067 9628 SER 83 HB2 0.0042 0.0002 0.0048 9629 SER 83 HB3 0.0042 -0.0000 0.0051 9630 SER 83 HG 0.0055 0.0011 0.0051 9631 GLY 84 N 0.0044 -0.0010 0.0071 9632 GLY 84 CA 0.0046 -0.0011 0.0078 9633 GLY 84 C 0.0044 -0.0010 0.0072 9634 GLY 84 O 0.0036 -0.0013 0.0066 9635 GLY 84 H 0.0038 -0.0012 0.0067 9636 GLY 84 HA2 0.0043 -0.0017 0.0084 9637 GLY 84 HA3 0.0053 -0.0007 0.0082 9638 ASN 85 N 0.0059 -0.0029 0.0080 9639 ASN 85 CA 0.0059 -0.0026 0.0075 9640 ASN 85 C 0.0057 -0.0018 0.0063 9641 ASN 85 O 0.0055 -0.0015 0.0058 9642 ASN 85 CB 0.0068 -0.0022 0.0081 9643 ASN 85 CG 0.0078 -0.0015 0.0080 9644 ASN 85 OD1 0.0081 -0.0007 0.0073 9645 ASN 85 ND2 0.0083 -0.0016 0.0088 9646 ASN 85 H 0.0066 -0.0027 0.0085 9647 ASN 85 HA 0.0052 -0.0031 0.0075 9648 ASN 85 HB2 0.0067 -0.0020 0.0077 9649 ASN 85 HB3 0.0069 -0.0028 0.0089 9650 ASN 85 HD21 0.0080 -0.0023 0.0094 9651 ASN 85 HD22 0.0090 -0.0012 0.0088 9652 LYS 86 N 0.0058 -0.0015 0.0060 9653 LYS 86 CA 0.0057 -0.0008 0.0049 9654 LYS 86 C 0.0054 -0.0008 0.0047 9655 LYS 86 O 0.0054 -0.0013 0.0053 9656 LYS 86 CB 0.0067 0.0001 0.0048 9657 LYS 86 CG 0.0076 0.0003 0.0055 9658 LYS 86 CD 0.0085 0.0013 0.0051 9659 LYS 86 CE 0.0095 0.0014 0.0059 9660 LYS 86 NZ 0.0094 0.0014 0.0059 9661 LYS 86 H 0.0059 -0.0018 0.0065 9662 LYS 86 HA 0.0051 -0.0009 0.0044 9663 LYS 86 HB2 0.0066 0.0006 0.0040 9664 LYS 86 HB3 0.0068 0.0001 0.0049 9665 LYS 86 HG2 0.0079 -0.0001 0.0063 9666 LYS 86 HG3 0.0075 0.0001 0.0056 9667 LYS 86 HD2 0.0083 0.0017 0.0044 9668 LYS 86 HD3 0.0087 0.0015 0.0050 9669 LYS 86 HE2 0.0102 0.0021 0.0057 9670 LYS 86 HE3 0.0097 0.0010 0.0067 9671 LYS 86 HZ1 0.0089 0.0007 0.0063 9672 LYS 86 HZ2 0.0101 0.0015 0.0064 9673 LYS 86 HZ3 0.0092 0.0018 0.0052 9674 VAL 87 N 0.0052 -0.0002 0.0037 9675 VAL 87 CA 0.0050 -0.0001 0.0033 9676 VAL 87 C 0.0050 0.0007 0.0022 9677 VAL 87 O 0.0048 0.0011 0.0015 9678 VAL 87 CB 0.0039 -0.0009 0.0033 9679 VAL 87 CG1 0.0030 -0.0010 0.0024 9680 VAL 87 CG2 0.0036 -0.0010 0.0031 9681 VAL 87 H 0.0053 0.0002 0.0032 9682 VAL 87 HA 0.0055 -0.0001 0.0038 9683 VAL 87 HB 0.0038 -0.0015 0.0040 9684 VAL 87 HG11 0.0032 -0.0003 0.0017 9685 VAL 87 HG12 0.0031 -0.0011 0.0027 9686 VAL 87 HG13 0.0023 -0.0015 0.0023 9687 VAL 87 HG21 0.0040 -0.0012 0.0038 9688 VAL 87 HG22 0.0039 -0.0003 0.0025 9689 VAL 87 HG23 0.0028 -0.0014 0.0028 9690 ALA 88 N 0.0053 0.0011 0.0020 9691 ALA 88 CA 0.0054 0.0019 0.0010 9692 ALA 88 C 0.0044 0.0017 0.0003 9693 ALA 88 O 0.0042 0.0015 0.0004 9694 ALA 88 CB 0.0063 0.0025 0.0012 9695 ALA 88 H 0.0055 0.0008 0.0026 9696 ALA 88 HA 0.0055 0.0023 0.0007 9697 ALA 88 HB1 0.0070 0.0027 0.0017 9698 ALA 88 HB2 0.0063 0.0030 0.0005 9699 ALA 88 HB3 0.0062 0.0021 0.0016 9700 ILE 89 N 0.0037 0.0017 -0.0004 9701 ILE 89 CA 0.0028 0.0016 -0.0012 9702 ILE 89 C 0.0030 0.0024 -0.0022 9703 ILE 89 O 0.0032 0.0030 -0.0028 9704 ILE 89 CB 0.0019 0.0011 -0.0015 9705 ILE 89 CG1 0.0009 0.0010 -0.0024 9706 ILE 89 CG2 0.0022 0.0016 -0.0018 9707 ILE 89 CD1 -0.0000 0.0003 -0.0025 9708 ILE 89 H 0.0039 0.0019 -0.0005 9709 ILE 89 HA 0.0026 0.0011 -0.0009 9710 ILE 89 HB 0.0017 0.0004 -0.0008 9711 ILE 89 HG12 0.0010 0.0016 -0.0031 9712 ILE 89 HG13 0.0008 0.0008 -0.0022 9713 ILE 89 HG21 0.0029 0.0016 -0.0012 9714 ILE 89 HG22 0.0016 0.0012 -0.0020 9715 ILE 89 HG23 0.0024 0.0022 -0.0025 9716 ILE 89 HD11 -0.0006 0.0004 -0.0032 9717 ILE 89 HD12 0.0001 0.0004 -0.0024 9718 ILE 89 HD13 -0.0003 -0.0003 -0.0018 9719 SER 90 N 0.0029 0.0025 -0.0024 9720 SER 90 CA 0.0030 0.0033 -0.0033 9721 SER 90 C 0.0020 0.0033 -0.0043 9722 SER 90 O 0.0013 0.0027 -0.0042 9723 SER 90 CB 0.0035 0.0035 -0.0030 9724 SER 90 OG 0.0043 0.0044 -0.0035 9725 SER 90 H 0.0027 0.0020 -0.0019 9726 SER 90 HA 0.0036 0.0039 -0.0035 9727 SER 90 HB2 0.0039 0.0032 -0.0022 9728 SER 90 HB3 0.0029 0.0033 -0.0033 9729 SER 90 HG 0.0046 0.0047 -0.0036 9730 THR 91 N -0.0005 0.0020 -0.0056 9731 THR 91 CA 0.0006 0.0023 -0.0041 9732 THR 91 C -0.0002 0.0013 -0.0026 9733 THR 91 O -0.0016 0.0005 -0.0028 9734 THR 91 CB 0.0016 0.0028 -0.0035 9735 THR 91 OG1 0.0008 0.0021 -0.0030 9736 THR 91 CG2 0.0025 0.0038 -0.0050 9737 THR 91 H -0.0011 0.0016 -0.0056 9738 THR 91 HA 0.0013 0.0028 -0.0045 9739 THR 91 HB 0.0024 0.0030 -0.0024 9740 THR 91 HG1 0.0013 0.0021 -0.0020 9741 THR 91 HG21 0.0017 0.0036 -0.0061 9742 THR 91 HG22 0.0032 0.0043 -0.0053 9743 THR 91 HG23 0.0032 0.0041 -0.0045 9744 THR 92 N 0.0007 0.0015 -0.0012 9745 THR 92 CA -0.0000 0.0006 0.0003 9746 THR 92 C 0.0001 0.0003 0.0018 9747 THR 92 O 0.0013 0.0008 0.0028 9748 THR 92 CB 0.0007 0.0009 0.0010 9749 THR 92 OG1 0.0002 0.0001 0.0025 9750 THR 92 CG2 0.0025 0.0020 0.0013 9751 THR 92 H 0.0018 0.0022 -0.0011 9752 THR 92 HA -0.0012 0.0000 -0.0002 9753 THR 92 HB 0.0004 0.0010 -0.0001 9754 THR 92 HG1 -0.0003 -0.0003 0.0030 9755 THR 92 HG21 0.0030 0.0021 0.0018 9756 THR 92 HG22 0.0028 0.0019 0.0023 9757 THR 92 HG23 0.0029 0.0026 0.0001 9758 PRO 93 N -0.0012 -0.0006 0.0020 9759 PRO 93 CA -0.0013 -0.0011 0.0035 9760 PRO 93 C -0.0008 -0.0012 0.0053 9761 PRO 93 O -0.0006 -0.0012 0.0054 9762 PRO 93 CB -0.0030 -0.0021 0.0033 9763 PRO 93 CG -0.0036 -0.0020 0.0014 9764 PRO 93 CD -0.0027 -0.0012 0.0008 9765 PRO 93 HA -0.0006 -0.0006 0.0033 9766 PRO 93 HB2 -0.0035 -0.0027 0.0041 9767 PRO 93 HB3 -0.0031 -0.0023 0.0037 9768 PRO 93 HG2 -0.0048 -0.0027 0.0013 9769 PRO 93 HG3 -0.0034 -0.0017 0.0007 9770 PRO 93 HD2 -0.0033 -0.0016 0.0009 9771 PRO 93 HD3 -0.0025 -0.0007 -0.0005 9772 LEU 94 N -0.0006 -0.0015 0.0066 9773 LEU 94 CA -0.0001 -0.0017 0.0084 9774 LEU 94 C -0.0013 -0.0026 0.0090 9775 LEU 94 O -0.0027 -0.0033 0.0083 9776 LEU 94 CB 0.0001 -0.0019 0.0096 9777 LEU 94 CG -0.0002 -0.0019 0.0088 9778 LEU 94 CD1 -0.0019 -0.0029 0.0084 9779 LEU 94 CD2 0.0006 -0.0017 0.0099 9780 LEU 94 H -0.0008 -0.0016 0.0064 9781 LEU 94 HA 0.0009 -0.0010 0.0085 9782 LEU 94 HB2 -0.0006 -0.0027 0.0106 9783 LEU 94 HB3 0.0013 -0.0013 0.0103 9784 LEU 94 HG 0.0002 -0.0013 0.0075 9785 LEU 94 HD11 -0.0024 -0.0029 0.0072 9786 LEU 94 HD12 -0.0021 -0.0030 0.0083 9787 LEU 94 HD13 -0.0024 -0.0035 0.0095 9788 LEU 94 HD21 0.0018 -0.0009 0.0100 9789 LEU 94 HD22 0.0003 -0.0022 0.0112 9790 LEU 94 HD23 0.0003 -0.0017 0.0093 9791 GLU 95 N -0.0008 -0.0027 0.0103 9792 GLU 95 CA -0.0019 -0.0035 0.0110 9793 GLU 95 C -0.0012 -0.0037 0.0128 9794 GLU 95 O 0.0001 -0.0030 0.0134 9795 GLU 95 CB -0.0021 -0.0034 0.0098 9796 GLU 95 CG -0.0008 -0.0026 0.0100 9797 GLU 95 CD 0.0005 -0.0015 0.0091 9798 GLU 95 OE1 0.0015 -0.0010 0.0099 9799 GLU 95 OE2 0.0006 -0.0010 0.0075 9800 GLU 95 H 0.0002 -0.0022 0.0109 9801 GLU 95 HA -0.0029 -0.0043 0.0110 9802 GLU 95 HB2 -0.0031 -0.0041 0.0100 9803 GLU 95 HB3 -0.0023 -0.0031 0.0084 9804 GLU 95 HG2 -0.0004 -0.0027 0.0113 9805 GLU 95 HG3 -0.0012 -0.0027 0.0094 9806 ASN 96 N -0.0022 -0.0046 0.0137 9807 ASN 96 CA -0.0018 -0.0048 0.0155 9808 ASN 96 C -0.0011 -0.0043 0.0154 9809 ASN 96 O -0.0017 -0.0043 0.0142 9810 ASN 96 CB -0.0031 -0.0059 0.0165 9811 ASN 96 CG -0.0042 -0.0065 0.0161 9812 ASN 96 OD1 -0.0040 -0.0066 0.0170 9813 ASN 96 ND2 -0.0053 -0.0069 0.0148 9814 ASN 96 OXT 0.0000 -0.0039 0.0165 9815 ASN 96 H -0.0033 -0.0051 0.0132 9816 ASN 96 HA -0.0009 -0.0044 0.0161 9817 ASN 96 HB2 -0.0027 -0.0060 0.0179 9818 ASN 96 HB3 -0.0038 -0.0063 0.0162 9819 ASN 96 HD21 -0.0054 -0.0068 0.0142 9820 ASN 96 HD22 -0.0061 -0.0073 0.0145 9821 SER 101 N 0.0068 -0.0069 0.0161 9822 SER 101 CA 0.0048 -0.0069 0.0151 9823 SER 101 C 0.0045 -0.0057 0.0129 9824 SER 101 O 0.0029 -0.0059 0.0121 9825 SER 101 CB 0.0050 -0.0070 0.0153 9826 SER 101 OG 0.0057 -0.0080 0.0173 9827 SER 101 H1 0.0066 -0.0069 0.0161 9828 SER 101 H2 0.0070 -0.0077 0.0175 9829 SER 101 H3 0.0081 -0.0060 0.0155 9830 SER 101 HA 0.0035 -0.0078 0.0156 9831 SER 101 HB2 0.0061 -0.0061 0.0145 9832 SER 101 HB3 0.0035 -0.0073 0.0148 9833 SER 101 HG 0.0045 -0.0088 0.0179 9834 TRP 102 N 0.0062 -0.0046 0.0121 9835 TRP 102 CA 0.0061 -0.0034 0.0101 9836 TRP 102 C 0.0083 -0.0024 0.0098 9837 TRP 102 O 0.0098 -0.0025 0.0108 9838 TRP 102 CB 0.0053 -0.0029 0.0088 9839 TRP 102 CG 0.0065 -0.0028 0.0093 9840 TRP 102 CD1 0.0083 -0.0017 0.0087 9841 TRP 102 CD2 0.0060 -0.0036 0.0104 9842 TRP 102 NE1 0.0090 -0.0019 0.0094 9843 TRP 102 CE2 0.0076 -0.0031 0.0104 9844 TRP 102 CE3 0.0044 -0.0048 0.0113 9845 TRP 102 CZ2 0.0076 -0.0037 0.0114 9846 TRP 102 CZ3 0.0044 -0.0054 0.0123 9847 TRP 102 CH2 0.0060 -0.0048 0.0123 9848 TRP 102 H 0.0074 -0.0046 0.0128 9849 TRP 102 HA 0.0050 -0.0036 0.0097 9850 TRP 102 HB2 0.0053 -0.0020 0.0073 9851 TRP 102 HB3 0.0037 -0.0036 0.0090 9852 TRP 102 HD1 0.0091 -0.0009 0.0078 9853 TRP 102 HE1 0.0103 -0.0013 0.0092 9854 TRP 102 HE3 0.0031 -0.0053 0.0113 9855 TRP 102 HZ2 0.0088 -0.0032 0.0114 9856 TRP 102 HZ3 0.0031 -0.0063 0.0130 9857 TRP 102 HH2 0.0059 -0.0053 0.0131 9858 GLU 103 N 0.0084 -0.0016 0.0084 9859 GLU 103 CA 0.0104 -0.0006 0.0080 9860 GLU 103 C 0.0110 0.0006 0.0065 9861 GLU 103 O 0.0129 0.0014 0.0063 9862 GLU 103 CB 0.0102 -0.0003 0.0075 9863 GLU 103 CG 0.0103 -0.0013 0.0091 9864 GLU 103 CD 0.0084 -0.0026 0.0101 9865 GLU 103 OE1 0.0066 -0.0026 0.0091 9866 GLU 103 OE2 0.0087 -0.0035 0.0119 9867 GLU 103 H 0.0071 -0.0016 0.0077 9868 GLU 103 HA 0.0115 -0.0009 0.0093 9869 GLU 103 HB2 0.0088 -0.0002 0.0064 9870 GLU 103 HB3 0.0116 0.0006 0.0068 9871 GLU 103 HG2 0.0103 -0.0010 0.0086 9872 GLU 103 HG3 0.0117 -0.0014 0.0101 9873 SER 104 N 0.0095 0.0008 0.0053 9874 SER 104 CA 0.0100 0.0019 0.0038 9875 SER 104 C 0.0086 0.0014 0.0037 9876 SER 104 O 0.0069 0.0005 0.0041 9877 SER 104 CB 0.0095 0.0029 0.0019 9878 SER 104 OG 0.0101 0.0030 0.0021 9879 SER 104 H 0.0081 0.0001 0.0055 9880 SER 104 HA 0.0116 0.0023 0.0041 9881 SER 104 HB2 0.0079 0.0026 0.0013 9882 SER 104 HB3 0.0104 0.0038 0.0009 9883 SER 104 HG 0.0114 0.0030 0.0029 9884 HIS 105 N 0.0095 0.0021 0.0031 9885 HIS 105 CA 0.0084 0.0018 0.0030 9886 HIS 105 C 0.0080 0.0029 0.0010 9887 HIS 105 O 0.0062 0.0028 0.0000 9888 HIS 105 CB 0.0097 0.0015 0.0043 9889 HIS 105 CG 0.0088 0.0011 0.0044 9890 HIS 105 ND1 0.0091 0.0020 0.0031 9891 HIS 105 CD2 0.0075 -0.0001 0.0056 9892 HIS 105 CE1 0.0081 0.0013 0.0036 9893 HIS 105 NE2 0.0071 0.0000 0.0051 9894 HIS 105 H 0.0109 0.0028 0.0028 9895 HIS 105 HA 0.0069 0.0009 0.0035 9896 HIS 105 HB2 0.0100 0.0007 0.0057 9897 HIS 105 HB3 0.0112 0.0023 0.0038 9898 HIS 105 HD2 0.0070 -0.0010 0.0067 9899 HIS 105 HE1 0.0080 0.0017 0.0029 9900 HIS 105 HE2 0.0066 -0.0006 0.0059 9901 LYS 106 N 0.0096 0.0039 0.0003 9902 LYS 106 CA 0.0094 0.0050 -0.0016 9903 LYS 106 C 0.0084 0.0055 -0.0031 9904 LYS 106 O 0.0093 0.0060 -0.0033 9905 LYS 106 CB 0.0116 0.0060 -0.0020 9906 LYS 106 CG 0.0123 0.0058 -0.0012 9907 LYS 106 CD 0.0145 0.0068 -0.0014 9908 LYS 106 CE 0.0151 0.0068 -0.0011 9909 LYS 106 NZ 0.0149 0.0055 0.0009 9910 LYS 106 H 0.0110 0.0039 0.0011 9911 LYS 106 HA 0.0084 0.0047 -0.0017 9912 LYS 106 HB2 0.0127 0.0060 -0.0013 9913 LYS 106 HB3 0.0115 0.0069 -0.0035 9914 LYS 106 HG2 0.0113 0.0060 -0.0021 9915 LYS 106 HG3 0.0121 0.0049 0.0002 9916 LYS 106 HD2 0.0155 0.0065 -0.0003 9917 LYS 106 HD3 0.0148 0.0077 -0.0028 9918 LYS 106 HE2 0.0167 0.0075 -0.0013 9919 LYS 106 HE3 0.0141 0.0070 -0.0021 9920 LYS 106 HZ1 0.0151 0.0050 0.0018 9921 LYS 106 HZ2 0.0135 0.0050 0.0009 9922 LYS 106 HZ3 0.0161 0.0057 0.0013 9923 SER 107 N 0.0035 0.0020 -0.0009 9924 SER 107 CA 0.0037 0.0027 -0.0008 9925 SER 107 C 0.0029 0.0032 -0.0007 9926 SER 107 O 0.0025 0.0033 -0.0006 9927 SER 107 CB 0.0040 0.0025 -0.0009 9928 SER 107 OG 0.0046 0.0019 -0.0010 9929 SER 107 H 0.0030 0.0017 -0.0009 9930 SER 107 HA 0.0042 0.0031 -0.0008 9931 SER 107 HB2 0.0035 0.0023 -0.0009 9932 SER 107 HB3 0.0043 0.0030 -0.0009 9933 SER 107 HG 0.0044 0.0014 -0.0011 9934 GLY 108 N 0.0026 0.0035 -0.0006 9935 GLY 108 CA 0.0018 0.0040 -0.0005 9936 GLY 108 C 0.0012 0.0036 -0.0005 9937 GLY 108 O 0.0004 0.0038 -0.0004 9938 GLY 108 H 0.0029 0.0035 -0.0007 9939 GLY 108 HA2 0.0020 0.0046 -0.0004 9940 GLY 108 HA3 0.0016 0.0041 -0.0004 9941 GLY 109 N 0.0014 0.0029 -0.0006 9942 GLY 109 CA 0.0008 0.0024 -0.0006 9943 GLY 109 C 0.0007 0.0016 -0.0007 9944 GLY 109 O 0.0012 0.0012 -0.0008 9945 GLY 109 H 0.0020 0.0027 -0.0007 9946 GLY 109 HA2 0.0010 0.0024 -0.0006 9947 GLY 109 HA3 0.0002 0.0028 -0.0005 9948 GLU 110 N -0.0001 0.0012 -0.0007 9949 GLU 110 CA -0.0003 0.0004 -0.0008 9950 GLU 110 C -0.0012 0.0004 -0.0007 9951 GLU 110 O -0.0017 -0.0001 -0.0007 9952 GLU 110 CB -0.0002 -0.0003 -0.0009 9953 GLU 110 CG 0.0007 -0.0002 -0.0009 9954 GLU 110 CD 0.0008 -0.0009 -0.0011 9955 GLU 110 OE1 0.0003 -0.0012 -0.0010 9956 GLU 110 OE2 0.0015 -0.0013 -0.0012 9957 GLU 110 H -0.0005 0.0015 -0.0006 9958 GLU 110 HA 0.0001 0.0002 -0.0008 9959 GLU 110 HB2 -0.0006 -0.0002 -0.0008 9960 GLU 110 HB3 -0.0003 -0.0009 -0.0009 9961 GLU 110 HG2 0.0012 -0.0003 -0.0010 9962 GLU 110 HG3 0.0008 0.0003 -0.0009 9963 THR 111 N -0.0014 0.0009 -0.0006 9964 THR 111 CA -0.0022 0.0009 -0.0005 9965 THR 111 C -0.0024 0.0002 -0.0006 9966 THR 111 O -0.0019 -0.0004 -0.0007 9967 THR 111 CB -0.0022 0.0017 -0.0004 9968 THR 111 OG1 -0.0016 0.0023 -0.0004 9969 THR 111 CG2 -0.0031 0.0021 -0.0002 9970 THR 111 H -0.0009 0.0012 -0.0006 9971 THR 111 HA -0.0026 0.0010 -0.0004 9972 THR 111 HB -0.0021 0.0016 -0.0004 9973 THR 111 HG1 -0.0018 0.0028 -0.0003 9974 THR 111 HG21 -0.0032 0.0023 -0.0002 9975 THR 111 HG22 -0.0036 0.0017 -0.0003 9976 THR 111 HG23 -0.0031 0.0027 -0.0002 9977 ARG 112 N -0.0032 0.0002 -0.0005 9978 ARG 112 CA -0.0035 -0.0005 -0.0006 9979 ARG 112 C -0.0043 -0.0002 -0.0005 9980 ARG 112 O -0.0046 0.0004 -0.0003 9981 ARG 112 CB -0.0037 -0.0013 -0.0006 9982 ARG 112 CG -0.0043 -0.0011 -0.0006 9983 ARG 112 CD -0.0042 -0.0018 -0.0007 9984 ARG 112 NE -0.0050 -0.0018 -0.0006 9985 ARG 112 CZ -0.0051 -0.0024 -0.0007 9986 ARG 112 NH1 -0.0046 -0.0031 -0.0008 9987 ARG 112 NH2 -0.0058 -0.0024 -0.0006 9988 ARG 112 H -0.0036 0.0006 -0.0004 9989 ARG 112 HA -0.0030 -0.0007 -0.0006 9990 ARG 112 HB2 -0.0040 -0.0017 -0.0007 9991 ARG 112 HB3 -0.0031 -0.0015 -0.0007 9992 ARG 112 HG2 -0.0041 -0.0005 -0.0005 9993 ARG 112 HG3 -0.0049 -0.0011 -0.0005 9994 ARG 112 HD2 -0.0041 -0.0024 -0.0007 9995 ARG 112 HD3 -0.0037 -0.0016 -0.0007 9996 ARG 112 HE -0.0054 -0.0013 -0.0005 9997 ARG 112 HH11 -0.0041 -0.0030 -0.0009 9998 ARG 112 HH12 -0.0047 -0.0035 -0.0009 9999 ARG 112 HH21 -0.0062 -0.0020 -0.0005 10000 ARG 112 HH22 -0.0059 -0.0029 -0.0006 10001 LEU 113 N -0.0041 -0.0020 -0.0003 10002 LEU 113 CA -0.0037 -0.0018 0.0001 10003 LEU 113 C -0.0043 -0.0020 -0.0003 10004 LEU 113 O -0.0051 -0.0022 -0.0001 10005 LEU 113 CB -0.0027 -0.0016 -0.0002 10006 LEU 113 CG -0.0020 -0.0014 0.0004 10007 LEU 113 CD1 -0.0022 -0.0013 0.0015 10008 LEU 113 CD2 -0.0021 -0.0014 0.0002 10009 LEU 113 OXT -0.0038 -0.0019 -0.0007 10010 LEU 113 H -0.0040 -0.0020 -0.0009 10011 LEU 113 HA -0.0038 -0.0018 0.0009 10012 LEU 113 HB2 -0.0026 -0.0016 -0.0009 10013 LEU 113 HB3 -0.0025 -0.0015 -0.0001 10014 LEU 113 HG -0.0013 -0.0012 0.0003 10015 LEU 113 HD11 -0.0022 -0.0013 0.0017 10016 LEU 113 HD12 -0.0017 -0.0012 0.0019 10017 LEU 113 HD13 -0.0029 -0.0015 0.0017 10018 LEU 113 HD21 -0.0017 -0.0013 0.0006 10019 LEU 113 HD22 -0.0020 -0.0015 -0.0006 10020 LEU 113 HD23 -0.0028 -0.0016 0.0003 10021 GLY 1 N -0.0039 0.0045 0.0080 10022 GLY 1 CA -0.0025 0.0044 0.0076 10023 GLY 1 C -0.0049 0.0046 0.0081 10024 GLY 1 O -0.0062 0.0044 0.0107 10025 GLY 1 H1 -0.0022 0.0044 0.0074 10026 GLY 1 H2 -0.0058 0.0048 0.0065 10027 GLY 1 H3 -0.0046 0.0043 0.0102 10028 GLY 1 HA2 -0.0007 0.0041 0.0093 10029 GLY 1 HA3 -0.0016 0.0046 0.0053 10030 GLY 2 N -0.0056 0.0049 0.0057 10031 GLY 2 CA -0.0078 0.0050 0.0059 10032 GLY 2 C -0.0084 0.0054 0.0028 10033 GLY 2 O -0.0071 0.0056 0.0004 10034 GLY 2 H -0.0045 0.0050 0.0037 10035 GLY 2 HA2 -0.0100 0.0051 0.0068 10036 GLY 2 HA3 -0.0070 0.0048 0.0074 10037 SER 3 N -0.0104 0.0056 0.0027 10038 SER 3 CA -0.0112 0.0060 -0.0002 10039 SER 3 C -0.0115 0.0059 0.0004 10040 SER 3 O -0.0108 0.0056 0.0029 10041 SER 3 CB -0.0143 0.0064 -0.0014 10042 SER 3 OG -0.0141 0.0067 -0.0047 10043 SER 3 H -0.0114 0.0055 0.0046 10044 SER 3 HA -0.0094 0.0060 -0.0018 10045 SER 3 HB2 -0.0148 0.0063 -0.0003 10046 SER 3 HB3 -0.0161 0.0064 -0.0009 10047 SER 3 HG -0.0129 0.0067 -0.0051 10048 MET 4 N -0.0123 0.0063 -0.0020 10049 MET 4 CA -0.0126 0.0063 -0.0019 10050 MET 4 C -0.0097 0.0059 -0.0007 10051 MET 4 O -0.0095 0.0056 0.0019 10052 MET 4 CB -0.0154 0.0063 0.0002 10053 MET 4 CG -0.0165 0.0064 -0.0002 10054 MET 4 SD -0.0194 0.0063 0.0026 10055 MET 4 CE -0.0171 0.0057 0.0060 10056 MET 4 H -0.0128 0.0065 -0.0040 10057 MET 4 HA -0.0131 0.0066 -0.0042 10058 MET 4 HB2 -0.0173 0.0065 -0.0002 10059 MET 4 HB3 -0.0147 0.0059 0.0026 10060 MET 4 HG2 -0.0145 0.0062 0.0000 10061 MET 4 HG3 -0.0175 0.0067 -0.0025 10062 MET 4 HE1 -0.0162 0.0056 0.0066 10063 MET 4 HE2 -0.0185 0.0056 0.0079 10064 MET 4 HE3 -0.0151 0.0056 0.0056 10065 ARG 5 N -0.0073 0.0060 -0.0027 10066 ARG 5 CA -0.0043 0.0056 -0.0019 10067 ARG 5 C -0.0046 0.0057 -0.0018 10068 ARG 5 O -0.0059 0.0060 -0.0040 10069 ARG 5 CB -0.0018 0.0057 -0.0042 10070 ARG 5 CG -0.0009 0.0056 -0.0040 10071 ARG 5 CD -0.0032 0.0060 -0.0057 10072 ARG 5 NE -0.0026 0.0059 -0.0053 10073 ARG 5 CZ -0.0044 0.0062 -0.0065 10074 ARG 5 NH1 -0.0069 0.0065 -0.0081 10075 ARG 5 NH2 -0.0036 0.0061 -0.0060 10076 ARG 5 H -0.0076 0.0062 -0.0047 10077 ARG 5 HA -0.0037 0.0053 0.0004 10078 ARG 5 HB2 -0.0026 0.0060 -0.0065 10079 ARG 5 HB3 0.0003 0.0055 -0.0038 10080 ARG 5 HG2 0.0014 0.0056 -0.0050 10081 ARG 5 HG3 -0.0009 0.0054 -0.0016 10082 ARG 5 HD2 -0.0055 0.0061 -0.0050 10083 ARG 5 HD3 -0.0030 0.0063 -0.0082 10084 ARG 5 HE -0.0008 0.0056 -0.0041 10085 ARG 5 HH11 -0.0074 0.0066 -0.0085 10086 ARG 5 HH12 -0.0081 0.0068 -0.0091 10087 ARG 5 HH21 -0.0018 0.0058 -0.0048 10088 ARG 5 HH22 -0.0050 0.0063 -0.0069 10089 PRO 6 N -0.0035 0.0053 0.0006 10090 PRO 6 CA -0.0037 0.0053 0.0009 10091 PRO 6 C -0.0010 0.0053 -0.0007 10092 PRO 6 O 0.0016 0.0049 0.0004 10093 PRO 6 CB -0.0035 0.0049 0.0044 10094 PRO 6 CG -0.0030 0.0047 0.0058 10095 PRO 6 CD -0.0018 0.0049 0.0032 10096 PRO 6 HA -0.0059 0.0055 0.0001 10097 PRO 6 HB2 -0.0017 0.0047 0.0050 10098 PRO 6 HB3 -0.0057 0.0049 0.0053 10099 PRO 6 HG2 -0.0014 0.0043 0.0076 10100 PRO 6 HG3 -0.0052 0.0047 0.0066 10101 PRO 6 HD2 0.0007 0.0047 0.0030 10102 PRO 6 HD3 -0.0024 0.0049 0.0037 10103 PRO 7 N 0.0072 0.0038 -0.0038 10104 PRO 7 CA 0.0065 0.0031 -0.0029 10105 PRO 7 C 0.0065 0.0033 -0.0032 10106 PRO 7 O 0.0076 0.0037 -0.0032 10107 PRO 7 CB 0.0072 0.0027 -0.0016 10108 PRO 7 CG 0.0081 0.0031 -0.0017 10109 PRO 7 CD 0.0084 0.0039 -0.0031 10110 PRO 7 HA 0.0054 0.0028 -0.0030 10111 PRO 7 HB2 0.0078 0.0027 -0.0013 10112 PRO 7 HB3 0.0065 0.0021 -0.0009 10113 PRO 7 HG2 0.0091 0.0031 -0.0011 10114 PRO 7 HG3 0.0076 0.0028 -0.0016 10115 PRO 7 HD2 0.0093 0.0042 -0.0032 10116 PRO 7 HD3 0.0086 0.0041 -0.0035 10117 ILE 8 N 0.0053 0.0030 -0.0034 10118 ILE 8 CA 0.0052 0.0031 -0.0036 10119 ILE 8 C 0.0052 0.0024 -0.0024 10120 ILE 8 O 0.0043 0.0018 -0.0018 10121 ILE 8 CB 0.0038 0.0031 -0.0045 10122 ILE 8 CG1 0.0035 0.0035 -0.0055 10123 ILE 8 CG2 0.0039 0.0035 -0.0052 10124 ILE 8 CD1 0.0020 0.0033 -0.0060 10125 ILE 8 H 0.0045 0.0027 -0.0034 10126 ILE 8 HA 0.0060 0.0036 -0.0041 10127 ILE 8 HB 0.0030 0.0025 -0.0040 10128 ILE 8 HG12 0.0041 0.0041 -0.0063 10129 ILE 8 HG13 0.0038 0.0034 -0.0051 10130 ILE 8 HG21 0.0043 0.0032 -0.0045 10131 ILE 8 HG22 0.0029 0.0033 -0.0056 10132 ILE 8 HG23 0.0046 0.0041 -0.0059 10133 ILE 8 HD11 0.0016 0.0032 -0.0062 10134 ILE 8 HD12 0.0015 0.0027 -0.0054 10135 ILE 8 HD13 0.0019 0.0037 -0.0069 10136 ILE 9 N 0.0063 0.0026 -0.0020 10137 ILE 9 CA 0.0065 0.0020 -0.0008 10138 ILE 9 C 0.0056 0.0018 -0.0009 10139 ILE 9 O 0.0060 0.0021 -0.0014 10140 ILE 9 CB 0.0079 0.0023 -0.0003 10141 ILE 9 CG1 0.0090 0.0028 -0.0006 10142 ILE 9 CG2 0.0081 0.0016 0.0011 10143 ILE 9 CD1 0.0089 0.0024 0.0001 10144 ILE 9 H 0.0070 0.0031 -0.0025 10145 ILE 9 HA 0.0061 0.0015 -0.0001 10146 ILE 9 HB 0.0081 0.0026 -0.0008 10147 ILE 9 HG12 0.0087 0.0032 -0.0016 10148 ILE 9 HG13 0.0100 0.0030 -0.0005 10149 ILE 9 HG21 0.0075 0.0013 0.0013 10150 ILE 9 HG22 0.0092 0.0018 0.0014 10151 ILE 9 HG23 0.0079 0.0012 0.0016 10152 ILE 9 HD11 0.0098 0.0027 -0.0000 10153 ILE 9 HD12 0.0080 0.0022 -0.0001 10154 ILE 9 HD13 0.0091 0.0019 0.0011 10155 ILE 10 N 0.0044 0.0011 -0.0004 10156 ILE 10 CA 0.0035 0.0008 -0.0004 10157 ILE 10 C 0.0042 0.0004 0.0007 10158 ILE 10 O 0.0050 0.0002 0.0016 10159 ILE 10 CB 0.0021 0.0002 -0.0002 10160 ILE 10 CG1 0.0013 0.0004 -0.0011 10161 ILE 10 CG2 0.0012 -0.0001 -0.0003 10162 ILE 10 CD1 0.0006 -0.0002 -0.0005 10163 ILE 10 H 0.0041 0.0008 -0.0001 10164 ILE 10 HA 0.0035 0.0013 -0.0013 10165 ILE 10 HB 0.0021 -0.0003 0.0008 10166 ILE 10 HG12 0.0006 0.0005 -0.0018 10167 ILE 10 HG13 0.0021 0.0009 -0.0016 10168 ILE 10 HG21 0.0001 -0.0003 -0.0005 10169 ILE 10 HG22 0.0014 0.0004 -0.0010 10170 ILE 10 HG23 0.0014 -0.0005 0.0006 10171 ILE 10 HD11 0.0013 -0.0003 0.0002 10172 ILE 10 HD12 0.0001 0.0000 -0.0012 10173 ILE 10 HD13 -0.0002 -0.0007 -0.0000 10174 HIS 11 N 0.0038 0.0003 0.0007 10175 HIS 11 CA 0.0043 -0.0000 0.0017 10176 HIS 11 C 0.0031 -0.0006 0.0020 10177 HIS 11 O 0.0026 -0.0003 0.0012 10178 HIS 11 CB 0.0055 0.0005 0.0013 10179 HIS 11 CG 0.0060 0.0002 0.0023 10180 HIS 11 ND1 0.0062 0.0004 0.0021 10181 HIS 11 CD2 0.0064 -0.0003 0.0036 10182 HIS 11 CE1 0.0066 -0.0000 0.0031 10183 HIS 11 NE2 0.0068 -0.0005 0.0041 10184 HIS 11 H 0.0032 0.0005 -0.0001 10185 HIS 11 HA 0.0047 -0.0004 0.0025 10186 HIS 11 HB2 0.0063 0.0009 0.0012 10187 HIS 11 HB3 0.0051 0.0009 0.0005 10188 HIS 11 HD2 0.0064 -0.0006 0.0041 10189 HIS 11 HE1 0.0068 0.0000 0.0032 10190 HIS 11 HE2 0.0069 -0.0009 0.0050 10191 ARG 12 N 0.0027 -0.0013 0.0030 10192 ARG 12 CA 0.0016 -0.0019 0.0034 10193 ARG 12 C 0.0019 -0.0019 0.0036 10194 ARG 12 O 0.0027 -0.0021 0.0045 10195 ARG 12 CB 0.0012 -0.0027 0.0046 10196 ARG 12 CG -0.0001 -0.0033 0.0050 10197 ARG 12 CD -0.0005 -0.0041 0.0062 10198 ARG 12 NE -0.0017 -0.0047 0.0066 10199 ARG 12 CZ -0.0018 -0.0054 0.0078 10200 ARG 12 NH1 -0.0009 -0.0056 0.0088 10201 ARG 12 NH2 -0.0029 -0.0059 0.0082 10202 ARG 12 H 0.0031 -0.0015 0.0036 10203 ARG 12 HA 0.0007 -0.0018 0.0027 10204 ARG 12 HB2 0.0010 -0.0027 0.0045 10205 ARG 12 HB3 0.0020 -0.0028 0.0054 10206 ARG 12 HG2 0.0001 -0.0034 0.0053 10207 ARG 12 HG3 -0.0009 -0.0032 0.0043 10208 ARG 12 HD2 -0.0007 -0.0040 0.0059 10209 ARG 12 HD3 0.0004 -0.0042 0.0069 10210 ARG 12 HE -0.0024 -0.0046 0.0060 10211 ARG 12 HH11 -0.0001 -0.0052 0.0085 10212 ARG 12 HH12 -0.0010 -0.0061 0.0097 10213 ARG 12 HH21 -0.0036 -0.0058 0.0075 10214 ARG 12 HH22 -0.0030 -0.0065 0.0091 10215 ALA 13 N -0.0002 -0.0015 0.0016 10216 ALA 13 CA -0.0004 -0.0015 0.0015 10217 ALA 13 C -0.0018 -0.0021 0.0026 10218 ALA 13 O -0.0030 -0.0022 0.0020 10219 ALA 13 CB -0.0008 -0.0013 -0.0004 10220 ALA 13 H -0.0006 -0.0014 0.0007 10221 ALA 13 HA 0.0008 -0.0013 0.0019 10222 ALA 13 HB1 -0.0008 -0.0012 -0.0005 10223 ALA 13 HB2 -0.0020 -0.0015 -0.0008 10224 ALA 13 HB3 0.0002 -0.0009 -0.0012 10225 GLY 14 N -0.0017 -0.0024 0.0042 10226 GLY 14 CA -0.0030 -0.0029 0.0054 10227 GLY 14 C -0.0046 -0.0032 0.0053 10228 GLY 14 O -0.0053 -0.0036 0.0066 10229 GLY 14 H -0.0007 -0.0022 0.0046 10230 GLY 14 HA2 -0.0024 -0.0030 0.0067 10231 GLY 14 HA3 -0.0034 -0.0029 0.0052 10232 LYS 15 N -0.0050 -0.0030 0.0037 10233 LYS 15 CA -0.0065 -0.0033 0.0034 10234 LYS 15 C -0.0060 -0.0033 0.0037 10235 LYS 15 O -0.0061 -0.0036 0.0051 10236 LYS 15 CB -0.0073 -0.0032 0.0016 10237 LYS 15 CG -0.0061 -0.0026 0.0003 10238 LYS 15 CD -0.0069 -0.0025 -0.0015 10239 LYS 15 CE -0.0083 -0.0028 -0.0016 10240 LYS 15 NZ -0.0091 -0.0027 -0.0034 10241 LYS 15 H -0.0044 -0.0027 0.0027 10242 LYS 15 HA -0.0074 -0.0037 0.0044 10243 LYS 15 HB2 -0.0079 -0.0032 0.0011 10244 LYS 15 HB3 -0.0083 -0.0034 0.0017 10245 LYS 15 HG2 -0.0056 -0.0026 0.0006 10246 LYS 15 HG3 -0.0050 -0.0024 0.0002 10247 LYS 15 HD2 -0.0060 -0.0021 -0.0024 10248 LYS 15 HD3 -0.0075 -0.0026 -0.0019 10249 LYS 15 HE2 -0.0093 -0.0032 -0.0007 10250 LYS 15 HE3 -0.0077 -0.0028 -0.0012 10251 LYS 15 HZ1 -0.0097 -0.0027 -0.0038 10252 LYS 15 HZ2 -0.0082 -0.0023 -0.0043 10253 LYS 15 HZ3 -0.0101 -0.0029 -0.0034 10254 LYS 16 N -0.0054 -0.0029 0.0023 10255 LYS 16 CA -0.0050 -0.0028 0.0024 10256 LYS 16 C -0.0037 -0.0022 0.0011 10257 LYS 16 O -0.0030 -0.0019 0.0002 10258 LYS 16 CB -0.0066 -0.0031 0.0021 10259 LYS 16 CG -0.0078 -0.0031 0.0006 10260 LYS 16 CD -0.0095 -0.0035 0.0006 10261 LYS 16 CE -0.0110 -0.0038 0.0001 10262 LYS 16 NZ -0.0110 -0.0034 -0.0017 10263 LYS 16 H -0.0053 -0.0026 0.0012 10264 LYS 16 HA -0.0045 -0.0029 0.0037 10265 LYS 16 HB2 -0.0062 -0.0030 0.0017 10266 LYS 16 HB3 -0.0073 -0.0035 0.0033 10267 LYS 16 HG2 -0.0081 -0.0032 0.0009 10268 LYS 16 HG3 -0.0072 -0.0028 -0.0006 10269 LYS 16 HD2 -0.0094 -0.0033 -0.0004 10270 LYS 16 HD3 -0.0097 -0.0038 0.0018 10271 LYS 16 HE2 -0.0122 -0.0041 0.0002 10272 LYS 16 HE3 -0.0110 -0.0039 0.0010 10273 LYS 16 HZ1 -0.0122 -0.0036 -0.0021 10274 LYS 16 HZ2 -0.0104 -0.0032 -0.0025 10275 LYS 16 HZ3 -0.0102 -0.0033 -0.0017 10276 TYR 17 N -0.0033 -0.0021 0.0009 10277 TYR 17 CA -0.0021 -0.0016 -0.0003 10278 TYR 17 C -0.0030 -0.0015 -0.0020 10279 TYR 17 O -0.0022 -0.0011 -0.0032 10280 TYR 17 CB -0.0011 -0.0015 0.0004 10281 TYR 17 CG -0.0004 -0.0017 0.0023 10282 TYR 17 CD1 -0.0014 -0.0022 0.0037 10283 TYR 17 CD2 0.0012 -0.0014 0.0026 10284 TYR 17 CE1 -0.0008 -0.0023 0.0053 10285 TYR 17 CE2 0.0018 -0.0015 0.0043 10286 TYR 17 CZ 0.0008 -0.0020 0.0057 10287 TYR 17 OH 0.0014 -0.0022 0.0073 10288 TYR 17 H -0.0039 -0.0024 0.0017 10289 TYR 17 HA -0.0011 -0.0013 -0.0005 10290 TYR 17 HB2 -0.0019 -0.0017 0.0004 10291 TYR 17 HB3 0.0000 -0.0011 -0.0004 10292 TYR 17 HD1 -0.0027 -0.0024 0.0034 10293 TYR 17 HD2 0.0020 -0.0010 0.0016 10294 TYR 17 HE1 -0.0016 -0.0027 0.0064 10295 TYR 17 HE2 0.0031 -0.0013 0.0046 10296 TYR 17 HH 0.0024 -0.0020 0.0074 10297 GLY 18 N -0.0046 -0.0019 -0.0021 10298 GLY 18 CA -0.0057 -0.0018 -0.0036 10299 GLY 18 C -0.0056 -0.0016 -0.0046 10300 GLY 18 O -0.0053 -0.0013 -0.0061 10301 GLY 18 H -0.0052 -0.0022 -0.0010 10302 GLY 18 HA2 -0.0070 -0.0022 -0.0033 10303 GLY 18 HA3 -0.0053 -0.0016 -0.0045 10304 PHE 19 N -0.0031 -0.0011 -0.0027 10305 PHE 19 CA -0.0028 -0.0012 -0.0024 10306 PHE 19 C -0.0027 -0.0009 -0.0021 10307 PHE 19 O -0.0027 -0.0007 -0.0021 10308 PHE 19 CB -0.0026 -0.0015 -0.0024 10309 PHE 19 CG -0.0025 -0.0015 -0.0023 10310 PHE 19 CD1 -0.0027 -0.0014 -0.0024 10311 PHE 19 CD2 -0.0022 -0.0015 -0.0020 10312 PHE 19 CE1 -0.0025 -0.0014 -0.0023 10313 PHE 19 CE2 -0.0021 -0.0015 -0.0019 10314 PHE 19 CZ -0.0023 -0.0014 -0.0020 10315 PHE 19 H -0.0032 -0.0009 -0.0026 10316 PHE 19 HA -0.0028 -0.0012 -0.0025 10317 PHE 19 HB2 -0.0024 -0.0016 -0.0023 10318 PHE 19 HB3 -0.0027 -0.0017 -0.0026 10319 PHE 19 HD1 -0.0029 -0.0014 -0.0026 10320 PHE 19 HD2 -0.0020 -0.0016 -0.0019 10321 PHE 19 HE1 -0.0027 -0.0013 -0.0024 10322 PHE 19 HE2 -0.0018 -0.0015 -0.0017 10323 PHE 19 HZ -0.0022 -0.0014 -0.0019 10324 THR 20 N -0.0025 -0.0009 -0.0020 10325 THR 20 CA -0.0023 -0.0006 -0.0017 10326 THR 20 C -0.0020 -0.0007 -0.0014 10327 THR 20 O -0.0018 -0.0010 -0.0014 10328 THR 20 CB -0.0023 -0.0005 -0.0016 10329 THR 20 OG1 -0.0026 -0.0004 -0.0018 10330 THR 20 CG2 -0.0021 -0.0002 -0.0013 10331 THR 20 H -0.0025 -0.0011 -0.0020 10332 THR 20 HA -0.0025 -0.0004 -0.0017 10333 THR 20 HB -0.0022 -0.0008 -0.0016 10334 THR 20 HG1 -0.0027 -0.0005 -0.0020 10335 THR 20 HG21 -0.0021 -0.0002 -0.0012 10336 THR 20 HG22 -0.0023 0.0000 -0.0013 10337 THR 20 HG23 -0.0019 -0.0003 -0.0011 10338 LEU 21 N -0.0020 -0.0005 -0.0013 10339 LEU 21 CA -0.0017 -0.0006 -0.0011 10340 LEU 21 C -0.0015 -0.0004 -0.0008 10341 LEU 21 O -0.0015 -0.0001 -0.0006 10342 LEU 21 CB -0.0017 -0.0006 -0.0010 10343 LEU 21 CG -0.0015 -0.0008 -0.0010 10344 LEU 21 CD1 -0.0013 -0.0012 -0.0010 10345 LEU 21 CD2 -0.0016 -0.0009 -0.0012 10346 LEU 21 H -0.0021 -0.0003 -0.0013 10347 LEU 21 HA -0.0016 -0.0009 -0.0011 10348 LEU 21 HB2 -0.0019 -0.0005 -0.0012 10349 LEU 21 HB3 -0.0017 -0.0003 -0.0009 10350 LEU 21 HG -0.0013 -0.0007 -0.0008 10351 LEU 21 HD11 -0.0012 -0.0014 -0.0010 10352 LEU 21 HD12 -0.0015 -0.0013 -0.0012 10353 LEU 21 HD13 -0.0012 -0.0011 -0.0009 10354 LEU 21 HD21 -0.0015 -0.0011 -0.0011 10355 LEU 21 HD22 -0.0018 -0.0007 -0.0011 10356 LEU 21 HD23 -0.0018 -0.0011 -0.0014 10357 ARG 22 N -0.0014 -0.0006 -0.0007 10358 ARG 22 CA -0.0012 -0.0004 -0.0004 10359 ARG 22 C -0.0009 -0.0004 -0.0002 10360 ARG 22 O -0.0007 -0.0007 -0.0002 10361 ARG 22 CB -0.0011 -0.0006 -0.0005 10362 ARG 22 CG -0.0011 -0.0003 -0.0003 10363 ARG 22 CD -0.0014 -0.0001 -0.0005 10364 ARG 22 NE -0.0014 0.0001 -0.0004 10365 ARG 22 CZ -0.0016 0.0003 -0.0005 10366 ARG 22 NH1 -0.0019 0.0003 -0.0007 10367 ARG 22 NH2 -0.0015 0.0004 -0.0004 10368 ARG 22 H -0.0014 -0.0008 -0.0008 10369 ARG 22 HA -0.0013 -0.0001 -0.0004 10370 ARG 22 HB2 -0.0013 -0.0007 -0.0007 10371 ARG 22 HB3 -0.0009 -0.0008 -0.0004 10372 ARG 22 HG2 -0.0009 -0.0005 -0.0003 10373 ARG 22 HG3 -0.0010 -0.0001 -0.0001 10374 ARG 22 HD2 -0.0015 0.0001 -0.0005 10375 ARG 22 HD3 -0.0015 -0.0003 -0.0007 10376 ARG 22 HE -0.0012 0.0001 -0.0002 10377 ARG 22 HH11 -0.0019 0.0002 -0.0008 10378 ARG 22 HH12 -0.0020 0.0005 -0.0008 10379 ARG 22 HH21 -0.0013 0.0004 -0.0002 10380 ARG 22 HH22 -0.0017 0.0006 -0.0005 10381 ALA 23 N -0.0008 -0.0001 0.0000 10382 ALA 23 CA -0.0006 -0.0001 0.0003 10383 ALA 23 C -0.0003 -0.0002 0.0005 10384 ALA 23 O -0.0004 -0.0001 0.0005 10385 ALA 23 CB -0.0006 0.0003 0.0004 10386 ALA 23 H -0.0010 0.0001 0.0000 10387 ALA 23 HA -0.0005 -0.0003 0.0002 10388 ALA 23 HB1 -0.0006 0.0005 0.0005 10389 ALA 23 HB2 -0.0008 0.0003 0.0003 10390 ALA 23 HB3 -0.0004 0.0002 0.0006 10391 ILE 24 N -0.0001 -0.0004 0.0006 10392 ILE 24 CA 0.0002 -0.0005 0.0008 10393 ILE 24 C 0.0005 -0.0005 0.0011 10394 ILE 24 O 0.0005 -0.0007 0.0011 10395 ILE 24 CB 0.0002 -0.0009 0.0007 10396 ILE 24 CG1 0.0002 -0.0012 0.0005 10397 ILE 24 CG2 0.0000 -0.0008 0.0005 10398 ILE 24 CD1 0.0003 -0.0016 0.0004 10399 ILE 24 H -0.0000 -0.0005 0.0006 10400 ILE 24 HA 0.0002 -0.0003 0.0009 10401 ILE 24 HB 0.0005 -0.0010 0.0009 10402 ILE 24 HG12 -0.0000 -0.0011 0.0003 10403 ILE 24 HG13 0.0003 -0.0012 0.0006 10404 ILE 24 HG21 0.0001 -0.0007 0.0006 10405 ILE 24 HG22 0.0001 -0.0011 0.0004 10406 ILE 24 HG23 -0.0002 -0.0007 0.0003 10407 ILE 24 HD11 0.0006 -0.0017 0.0006 10408 ILE 24 HD12 0.0002 -0.0017 0.0002 10409 ILE 24 HD13 0.0002 -0.0016 0.0003 10410 ARG 25 N 0.0039 0.0001 0.0017 10411 ARG 25 CA 0.0028 0.0001 0.0005 10412 ARG 25 C 0.0021 -0.0004 0.0028 10413 ARG 25 O 0.0039 -0.0003 0.0039 10414 ARG 25 CB 0.0050 0.0008 -0.0013 10415 ARG 25 CG 0.0061 0.0013 -0.0035 10416 ARG 25 CD 0.0077 0.0019 -0.0056 10417 ARG 25 NE 0.0099 0.0021 -0.0044 10418 ARG 25 CZ 0.0120 0.0026 -0.0058 10419 ARG 25 NH1 0.0122 0.0031 -0.0085 10420 ARG 25 NH2 0.0139 0.0027 -0.0045 10421 ARG 25 H 0.0058 0.0002 0.0025 10422 ARG 25 HA 0.0010 0.0000 -0.0007 10423 ARG 25 HB2 0.0067 0.0008 -0.0001 10424 ARG 25 HB3 0.0040 0.0008 -0.0024 10425 ARG 25 HG2 0.0045 0.0012 -0.0045 10426 ARG 25 HG3 0.0076 0.0014 -0.0024 10427 ARG 25 HD2 0.0062 0.0019 -0.0067 10428 ARG 25 HD3 0.0086 0.0023 -0.0071 10429 ARG 25 HE 0.0098 0.0017 -0.0024 10430 ARG 25 HH11 0.0108 0.0030 -0.0095 10431 ARG 25 HH12 0.0138 0.0035 -0.0095 10432 ARG 25 HH21 0.0138 0.0023 -0.0025 10433 ARG 25 HH22 0.0155 0.0031 -0.0055 10434 VAL 26 N -0.0005 -0.0009 0.0036 10435 VAL 26 CA -0.0014 -0.0014 0.0058 10436 VAL 26 C -0.0021 -0.0013 0.0045 10437 VAL 26 O -0.0042 -0.0014 0.0032 10438 VAL 26 CB -0.0040 -0.0021 0.0072 10439 VAL 26 CG1 -0.0032 -0.0023 0.0094 10440 VAL 26 CG2 -0.0061 -0.0020 0.0051 10441 VAL 26 H -0.0018 -0.0010 0.0027 10442 VAL 26 HA 0.0002 -0.0014 0.0073 10443 VAL 26 HB -0.0050 -0.0024 0.0083 10444 VAL 26 HG11 -0.0051 -0.0027 0.0102 10445 VAL 26 HG12 -0.0020 -0.0020 0.0084 10446 VAL 26 HG13 -0.0020 -0.0024 0.0110 10447 VAL 26 HG21 -0.0081 -0.0025 0.0061 10448 VAL 26 HG22 -0.0065 -0.0018 0.0035 10449 VAL 26 HG23 -0.0053 -0.0018 0.0043 10450 TYR 27 N -0.0001 -0.0011 0.0050 10451 TYR 27 CA -0.0005 -0.0010 0.0040 10452 TYR 27 C -0.0022 -0.0016 0.0059 10453 TYR 27 O -0.0025 -0.0020 0.0083 10454 TYR 27 CB 0.0023 -0.0005 0.0036 10455 TYR 27 CG 0.0037 0.0002 0.0009 10456 TYR 27 CD1 0.0053 0.0005 0.0006 10457 TYR 27 CD2 0.0034 0.0005 -0.0013 10458 TYR 27 CE1 0.0065 0.0011 -0.0019 10459 TYR 27 CE2 0.0047 0.0011 -0.0038 10460 TYR 27 CZ 0.0062 0.0014 -0.0041 10461 TYR 27 OH 0.0075 0.0020 -0.0066 10462 TYR 27 H 0.0016 -0.0010 0.0061 10463 TYR 27 HA -0.0015 -0.0008 0.0020 10464 TYR 27 HB2 0.0037 -0.0005 0.0053 10465 TYR 27 HB3 0.0021 -0.0005 0.0038 10466 TYR 27 HD1 0.0055 0.0003 0.0022 10467 TYR 27 HD2 0.0022 0.0003 -0.0010 10468 TYR 27 HE1 0.0077 0.0013 -0.0022 10469 TYR 27 HE2 0.0044 0.0014 -0.0054 10470 TYR 27 HH 0.0063 0.0021 -0.0081 10471 MET 28 N -0.0035 -0.0016 0.0049 10472 MET 28 CA -0.0052 -0.0022 0.0066 10473 MET 28 C -0.0035 -0.0021 0.0078 10474 MET 28 O -0.0042 -0.0021 0.0075 10475 MET 28 CB -0.0077 -0.0023 0.0049 10476 MET 28 CG -0.0096 -0.0024 0.0038 10477 MET 28 SD -0.0111 -0.0030 0.0064 10478 MET 28 CE -0.0134 -0.0037 0.0080 10479 MET 28 H -0.0032 -0.0012 0.0029 10480 MET 28 HA -0.0060 -0.0025 0.0083 10481 MET 28 HB2 -0.0069 -0.0018 0.0032 10482 MET 28 HB3 -0.0089 -0.0027 0.0062 10483 MET 28 HG2 -0.0084 -0.0019 0.0025 10484 MET 28 HG3 -0.0112 -0.0024 0.0025 10485 MET 28 HE1 -0.0122 -0.0036 0.0088 10486 MET 28 HE2 -0.0148 -0.0036 0.0064 10487 MET 28 HE3 -0.0145 -0.0041 0.0096 10488 GLY 29 N -0.0013 -0.0020 0.0093 10489 GLY 29 CA 0.0005 -0.0019 0.0106 10490 GLY 29 C 0.0020 -0.0013 0.0084 10491 GLY 29 O 0.0034 -0.0008 0.0066 10492 GLY 29 H -0.0008 -0.0020 0.0095 10493 GLY 29 HA2 0.0021 -0.0019 0.0119 10494 GLY 29 HA3 -0.0007 -0.0023 0.0118 10495 ASP 30 N 0.0018 -0.0014 0.0086 10496 ASP 30 CA 0.0031 -0.0009 0.0067 10497 ASP 30 C 0.0013 -0.0007 0.0041 10498 ASP 30 O -0.0001 -0.0008 0.0036 10499 ASP 30 CB 0.0035 -0.0010 0.0080 10500 ASP 30 CG 0.0054 -0.0004 0.0063 10501 ASP 30 OD1 0.0079 -0.0001 0.0065 10502 ASP 30 OD2 0.0042 -0.0004 0.0047 10503 ASP 30 H 0.0007 -0.0018 0.0101 10504 ASP 30 HA 0.0051 -0.0005 0.0062 10505 ASP 30 HB2 0.0045 -0.0012 0.0100 10506 ASP 30 HB3 0.0016 -0.0014 0.0082 10507 SER 31 N -0.0010 -0.0008 -0.0025 10508 SER 31 CA -0.0025 -0.0006 -0.0048 10509 SER 31 C -0.0011 -0.0008 -0.0059 10510 SER 31 O 0.0001 -0.0009 -0.0044 10511 SER 31 CB -0.0053 -0.0003 -0.0040 10512 SER 31 OG -0.0066 -0.0002 -0.0030 10513 SER 31 H 0.0002 -0.0010 -0.0016 10514 SER 31 HA -0.0025 -0.0006 -0.0063 10515 SER 31 HB2 -0.0053 -0.0004 -0.0025 10516 SER 31 HB3 -0.0063 -0.0002 -0.0057 10517 SER 31 HG -0.0054 -0.0003 -0.0029 10518 ASP 32 N -0.0013 -0.0007 -0.0084 10519 ASP 32 CA -0.0001 -0.0008 -0.0098 10520 ASP 32 C -0.0017 -0.0006 -0.0093 10521 ASP 32 O -0.0008 -0.0007 -0.0099 10522 ASP 32 CB 0.0002 -0.0008 -0.0127 10523 ASP 32 CG 0.0019 -0.0009 -0.0141 10524 ASP 32 OD1 0.0043 -0.0012 -0.0135 10525 ASP 32 OD2 0.0009 -0.0008 -0.0158 10526 ASP 32 H -0.0024 -0.0005 -0.0095 10527 ASP 32 HA 0.0018 -0.0010 -0.0089 10528 ASP 32 HB2 0.0012 -0.0009 -0.0130 10529 ASP 32 HB3 -0.0017 -0.0005 -0.0137 10530 VAL 33 N -0.0041 -0.0004 -0.0084 10531 VAL 33 CA -0.0059 -0.0002 -0.0079 10532 VAL 33 C -0.0051 -0.0003 -0.0054 10533 VAL 33 O -0.0046 -0.0004 -0.0033 10534 VAL 33 CB -0.0088 0.0001 -0.0077 10535 VAL 33 CG1 -0.0092 0.0001 -0.0056 10536 VAL 33 CG2 -0.0106 0.0003 -0.0070 10537 VAL 33 H -0.0047 -0.0003 -0.0079 10538 VAL 33 HA -0.0057 -0.0002 -0.0095 10539 VAL 33 HB -0.0094 0.0002 -0.0096 10540 VAL 33 HG11 -0.0088 0.0001 -0.0037 10541 VAL 33 HG12 -0.0078 0.0000 -0.0060 10542 VAL 33 HG13 -0.0112 0.0004 -0.0057 10543 VAL 33 HG21 -0.0126 0.0006 -0.0072 10544 VAL 33 HG22 -0.0102 0.0003 -0.0084 10545 VAL 33 HG23 -0.0102 0.0002 -0.0050 10546 TYR 34 N -0.0049 -0.0003 -0.0056 10547 TYR 34 CA -0.0042 -0.0005 -0.0035 10548 TYR 34 C -0.0054 -0.0003 -0.0037 10549 TYR 34 O -0.0059 -0.0002 -0.0060 10550 TYR 34 CB -0.0012 -0.0008 -0.0033 10551 TYR 34 CG 0.0000 -0.0009 -0.0056 10552 TYR 34 CD1 0.0004 -0.0009 -0.0081 10553 TYR 34 CD2 0.0008 -0.0010 -0.0053 10554 TYR 34 CE1 0.0014 -0.0010 -0.0102 10555 TYR 34 CE2 0.0019 -0.0011 -0.0074 10556 TYR 34 CZ 0.0022 -0.0011 -0.0098 10557 TYR 34 OH 0.0033 -0.0011 -0.0119 10558 TYR 34 H -0.0053 -0.0003 -0.0074 10559 TYR 34 HA -0.0048 -0.0004 -0.0016 10560 TYR 34 HB2 -0.0007 -0.0009 -0.0015 10561 TYR 34 HB3 -0.0003 -0.0009 -0.0033 10562 TYR 34 HD1 -0.0002 -0.0008 -0.0084 10563 TYR 34 HD2 0.0005 -0.0010 -0.0034 10564 TYR 34 HE1 0.0017 -0.0010 -0.0121 10565 TYR 34 HE2 0.0025 -0.0011 -0.0071 10566 TYR 34 HH 0.0021 -0.0010 -0.0134 10567 THR 35 N -0.0060 -0.0003 -0.0015 10568 THR 35 CA -0.0072 -0.0002 -0.0016 10569 THR 35 C -0.0051 -0.0004 -0.0010 10570 THR 35 O -0.0036 -0.0006 0.0009 10571 THR 35 CB -0.0095 0.0001 0.0004 10572 THR 35 OG1 -0.0098 0.0001 0.0019 10573 THR 35 CG2 -0.0120 0.0004 -0.0010 10574 THR 35 H -0.0057 -0.0004 0.0002 10575 THR 35 HA -0.0080 -0.0000 -0.0036 10576 THR 35 HB -0.0090 -0.0000 0.0018 10577 THR 35 HG1 -0.0109 0.0002 0.0009 10578 THR 35 HG21 -0.0125 0.0005 -0.0024 10579 THR 35 HG22 -0.0118 0.0004 -0.0021 10580 THR 35 HG23 -0.0136 0.0005 0.0004 10581 VAL 36 N -0.0050 -0.0004 -0.0027 10582 VAL 36 CA -0.0030 -0.0006 -0.0023 10583 VAL 36 C -0.0041 -0.0005 -0.0003 10584 VAL 36 O -0.0056 -0.0003 -0.0010 10585 VAL 36 CB -0.0023 -0.0006 -0.0049 10586 VAL 36 CG1 0.0002 -0.0009 -0.0046 10587 VAL 36 CG2 -0.0021 -0.0006 -0.0071 10588 VAL 36 H -0.0062 -0.0002 -0.0042 10589 VAL 36 HA -0.0013 -0.0008 -0.0015 10590 VAL 36 HB -0.0039 -0.0004 -0.0054 10591 VAL 36 HG11 0.0006 -0.0009 -0.0065 10592 VAL 36 HG12 0.0018 -0.0011 -0.0041 10593 VAL 36 HG13 -0.0001 -0.0009 -0.0031 10594 VAL 36 HG21 -0.0040 -0.0004 -0.0077 10595 VAL 36 HG22 -0.0009 -0.0008 -0.0065 10596 VAL 36 HG23 -0.0011 -0.0007 -0.0088 10597 HIS 37 N -0.0009 -0.0007 -0.0003 10598 HIS 37 CA -0.0010 -0.0009 -0.0005 10599 HIS 37 C -0.0012 -0.0007 -0.0007 10600 HIS 37 O -0.0012 -0.0003 -0.0007 10601 HIS 37 CB -0.0009 -0.0012 -0.0004 10602 HIS 37 CG -0.0008 -0.0015 -0.0002 10603 HIS 37 ND1 -0.0009 -0.0016 -0.0003 10604 HIS 37 CD2 -0.0007 -0.0017 0.0000 10605 HIS 37 CE1 -0.0007 -0.0018 -0.0001 10606 HIS 37 NE2 -0.0006 -0.0019 0.0001 10607 HIS 37 H -0.0009 -0.0006 -0.0001 10608 HIS 37 HA -0.0011 -0.0010 -0.0007 10609 HIS 37 HB2 -0.0009 -0.0011 -0.0002 10610 HIS 37 HB3 -0.0010 -0.0013 -0.0006 10611 HIS 37 HD2 -0.0007 -0.0016 0.0001 10612 HIS 37 HE1 -0.0007 -0.0020 -0.0001 10613 HIS 37 HE2 -0.0005 -0.0020 0.0003 10614 HIS 38 N -0.0013 -0.0008 -0.0010 10615 HIS 38 CA -0.0014 -0.0006 -0.0012 10616 HIS 38 C -0.0014 -0.0008 -0.0013 10617 HIS 38 O -0.0014 -0.0011 -0.0013 10618 HIS 38 CB -0.0015 -0.0005 -0.0015 10619 HIS 38 CG -0.0015 -0.0003 -0.0014 10620 HIS 38 ND1 -0.0015 0.0000 -0.0013 10621 HIS 38 CD2 -0.0015 -0.0004 -0.0014 10622 HIS 38 CE1 -0.0015 0.0001 -0.0013 10623 HIS 38 NE2 -0.0015 -0.0002 -0.0013 10624 HIS 38 H -0.0012 -0.0011 -0.0010 10625 HIS 38 HA -0.0013 -0.0004 -0.0011 10626 HIS 38 HB2 -0.0016 -0.0008 -0.0016 10627 HIS 38 HB3 -0.0016 -0.0004 -0.0016 10628 HIS 38 HD2 -0.0015 -0.0007 -0.0014 10629 HIS 38 HE1 -0.0015 0.0004 -0.0012 10630 HIS 38 HE2 -0.0014 -0.0002 -0.0012 10631 MET 39 N -0.0015 -0.0007 -0.0015 10632 MET 39 CA -0.0015 -0.0008 -0.0016 10633 MET 39 C -0.0017 -0.0006 -0.0018 10634 MET 39 O -0.0017 -0.0003 -0.0019 10635 MET 39 CB -0.0014 -0.0008 -0.0013 10636 MET 39 CG -0.0014 -0.0011 -0.0014 10637 MET 39 SD -0.0013 -0.0010 -0.0011 10638 MET 39 CE -0.0011 -0.0012 -0.0007 10639 MET 39 H -0.0015 -0.0004 -0.0015 10640 MET 39 HA -0.0015 -0.0011 -0.0016 10641 MET 39 HB2 -0.0013 -0.0009 -0.0011 10642 MET 39 HB3 -0.0014 -0.0006 -0.0013 10643 MET 39 HG2 -0.0015 -0.0010 -0.0016 10644 MET 39 HG3 -0.0014 -0.0013 -0.0014 10645 MET 39 HE1 -0.0010 -0.0011 -0.0005 10646 MET 39 HE2 -0.0011 -0.0010 -0.0007 10647 MET 39 HE3 -0.0011 -0.0014 -0.0008 10648 VAL 40 N -0.0018 -0.0008 -0.0021 10649 VAL 40 CA -0.0019 -0.0007 -0.0024 10650 VAL 40 C -0.0019 -0.0005 -0.0023 10651 VAL 40 O -0.0019 -0.0007 -0.0022 10652 VAL 40 CB -0.0020 -0.0009 -0.0027 10653 VAL 40 CG1 -0.0020 -0.0013 -0.0026 10654 VAL 40 CG2 -0.0022 -0.0008 -0.0029 10655 VAL 40 H -0.0018 -0.0011 -0.0021 10656 VAL 40 HA -0.0020 -0.0005 -0.0024 10657 VAL 40 HB -0.0021 -0.0010 -0.0027 10658 VAL 40 HG11 -0.0020 -0.0015 -0.0028 10659 VAL 40 HG12 -0.0019 -0.0012 -0.0025 10660 VAL 40 HG13 -0.0019 -0.0014 -0.0024 10661 VAL 40 HG21 -0.0022 -0.0005 -0.0029 10662 VAL 40 HG22 -0.0022 -0.0008 -0.0029 10663 VAL 40 HG23 -0.0023 -0.0009 -0.0031 10664 TRP 41 N -0.0019 -0.0002 -0.0022 10665 TRP 41 CA -0.0019 0.0000 -0.0021 10666 TRP 41 C -0.0020 0.0000 -0.0024 10667 TRP 41 O -0.0020 -0.0000 -0.0023 10668 TRP 41 CB -0.0019 0.0004 -0.0020 10669 TRP 41 CG -0.0018 0.0006 -0.0018 10670 TRP 41 CD1 -0.0018 0.0009 -0.0018 10671 TRP 41 CD2 -0.0016 0.0004 -0.0015 10672 TRP 41 NE1 -0.0017 0.0009 -0.0015 10673 TRP 41 CE2 -0.0016 0.0006 -0.0013 10674 TRP 41 CE3 -0.0015 0.0001 -0.0014 10675 TRP 41 CZ2 -0.0014 0.0006 -0.0010 10676 TRP 41 CZ3 -0.0014 -0.0000 -0.0011 10677 TRP 41 CH2 -0.0013 0.0002 -0.0009 10678 TRP 41 H -0.0019 -0.0001 -0.0023 10679 TRP 41 HA -0.0018 -0.0001 -0.0019 10680 TRP 41 HB2 -0.0018 0.0004 -0.0020 10681 TRP 41 HB3 -0.0020 0.0006 -0.0022 10682 TRP 41 HD1 -0.0019 0.0011 -0.0020 10683 TRP 41 HE1 -0.0017 0.0011 -0.0014 10684 TRP 41 HE3 -0.0016 -0.0001 -0.0015 10685 TRP 41 HZ2 -0.0014 0.0007 -0.0009 10686 TRP 41 HZ3 -0.0013 -0.0003 -0.0010 10687 TRP 41 HH2 -0.0012 0.0002 -0.0007 10688 HIS 42 N -0.0022 0.0001 -0.0027 10689 HIS 42 CA -0.0023 0.0001 -0.0030 10690 HIS 42 C -0.0024 -0.0000 -0.0033 10691 HIS 42 O -0.0025 0.0001 -0.0033 10692 HIS 42 CB -0.0023 0.0004 -0.0030 10693 HIS 42 CG -0.0024 0.0005 -0.0031 10694 HIS 42 ND1 -0.0023 0.0006 -0.0029 10695 HIS 42 CD2 -0.0025 0.0004 -0.0034 10696 HIS 42 CE1 -0.0024 0.0005 -0.0031 10697 HIS 42 NE2 -0.0025 0.0004 -0.0034 10698 HIS 42 H -0.0022 0.0001 -0.0027 10699 HIS 42 HA -0.0022 -0.0001 -0.0029 10700 HIS 42 HB2 -0.0022 0.0006 -0.0028 10701 HIS 42 HB3 -0.0024 0.0006 -0.0032 10702 HIS 42 HD2 -0.0026 0.0003 -0.0036 10703 HIS 42 HE1 -0.0024 0.0006 -0.0030 10704 HIS 42 HE2 -0.0026 0.0005 -0.0036 10705 VAL 43 N -0.0056 0.0002 -0.0061 10706 VAL 43 CA -0.0048 0.0001 -0.0060 10707 VAL 43 C -0.0055 0.0002 -0.0073 10708 VAL 43 O -0.0056 0.0001 -0.0088 10709 VAL 43 CB -0.0028 -0.0001 -0.0061 10710 VAL 43 CG1 -0.0023 -0.0003 -0.0077 10711 VAL 43 CG2 -0.0020 -0.0003 -0.0061 10712 VAL 43 H -0.0056 0.0002 -0.0072 10713 VAL 43 HA -0.0051 0.0002 -0.0047 10714 VAL 43 HB -0.0024 -0.0002 -0.0050 10715 VAL 43 HG11 -0.0027 -0.0002 -0.0076 10716 VAL 43 HG12 -0.0010 -0.0004 -0.0078 10717 VAL 43 HG13 -0.0029 -0.0002 -0.0088 10718 VAL 43 HG21 -0.0024 -0.0002 -0.0049 10719 VAL 43 HG22 -0.0024 -0.0002 -0.0072 10720 VAL 43 HG23 -0.0006 -0.0004 -0.0061 10721 GLU 44 N -0.0061 0.0003 -0.0067 10722 GLU 44 CA -0.0069 0.0003 -0.0077 10723 GLU 44 C -0.0056 0.0001 -0.0089 10724 GLU 44 O -0.0044 -0.0000 -0.0083 10725 GLU 44 CB -0.0077 0.0005 -0.0065 10726 GLU 44 CG -0.0089 0.0007 -0.0053 10727 GLU 44 CD -0.0099 0.0008 -0.0043 10728 GLU 44 OE1 -0.0093 0.0008 -0.0029 10729 GLU 44 OE2 -0.0113 0.0010 -0.0049 10730 GLU 44 H -0.0060 0.0003 -0.0055 10731 GLU 44 HA -0.0079 0.0004 -0.0085 10732 GLU 44 HB2 -0.0067 0.0004 -0.0058 10733 GLU 44 HB3 -0.0084 0.0005 -0.0073 10734 GLU 44 HG2 -0.0098 0.0008 -0.0060 10735 GLU 44 HG3 -0.0082 0.0006 -0.0044 10736 ASP 45 N -0.0059 0.0001 -0.0106 10737 ASP 45 CA -0.0048 -0.0001 -0.0118 10738 ASP 45 C -0.0054 -0.0000 -0.0122 10739 ASP 45 O -0.0052 -0.0001 -0.0136 10740 ASP 45 CB -0.0049 -0.0001 -0.0135 10741 ASP 45 CG -0.0066 0.0001 -0.0142 10742 ASP 45 OD1 -0.0078 0.0003 -0.0133 10743 ASP 45 OD2 -0.0069 0.0001 -0.0157 10744 ASP 45 H -0.0069 0.0002 -0.0109 10745 ASP 45 HA -0.0036 -0.0002 -0.0113 10746 ASP 45 HB2 -0.0041 -0.0003 -0.0144 10747 ASP 45 HB3 -0.0043 -0.0002 -0.0132 10748 GLY 46 N -0.0060 0.0001 -0.0109 10749 GLY 46 CA -0.0066 0.0002 -0.0111 10750 GLY 46 C -0.0052 0.0000 -0.0107 10751 GLY 46 O -0.0053 0.0000 -0.0113 10752 GLY 46 H -0.0061 0.0002 -0.0098 10753 GLY 46 HA2 -0.0070 0.0002 -0.0124 10754 GLY 46 HA3 -0.0077 0.0003 -0.0103 10755 GLY 47 N -0.0040 -0.0001 -0.0097 10756 GLY 47 CA -0.0026 -0.0003 -0.0092 10757 GLY 47 C -0.0014 -0.0004 -0.0079 10758 GLY 47 O 0.0002 -0.0006 -0.0082 10759 GLY 47 H -0.0039 -0.0001 -0.0093 10760 GLY 47 HA2 -0.0020 -0.0004 -0.0104 10761 GLY 47 HA3 -0.0032 -0.0002 -0.0087 10762 PRO 48 N -0.0019 -0.0003 -0.0065 10763 PRO 48 CA -0.0008 -0.0004 -0.0051 10764 PRO 48 C 0.0004 -0.0005 -0.0056 10765 PRO 48 O 0.0012 -0.0007 -0.0069 10766 PRO 48 CB -0.0021 -0.0002 -0.0038 10767 PRO 48 CG -0.0036 0.0000 -0.0041 10768 PRO 48 CD -0.0037 -0.0000 -0.0060 10769 PRO 48 HA -0.0001 -0.0005 -0.0046 10770 PRO 48 HB2 -0.0024 -0.0001 -0.0040 10771 PRO 48 HB3 -0.0016 -0.0002 -0.0025 10772 PRO 48 HG2 -0.0047 0.0002 -0.0035 10773 PRO 48 HG3 -0.0034 0.0000 -0.0035 10774 PRO 48 HD2 -0.0044 0.0000 -0.0065 10775 PRO 48 HD3 -0.0044 0.0001 -0.0063 10776 ALA 49 N -0.0009 0.0005 -0.0050 10777 ALA 49 CA -0.0003 0.0004 -0.0052 10778 ALA 49 C -0.0002 0.0007 -0.0067 10779 ALA 49 O 0.0009 0.0006 -0.0072 10780 ALA 49 CB -0.0010 0.0004 -0.0042 10781 ALA 49 H -0.0016 0.0005 -0.0042 10782 ALA 49 HA 0.0008 0.0002 -0.0048 10783 ALA 49 HB1 -0.0003 0.0001 -0.0035 10784 ALA 49 HB2 -0.0016 0.0006 -0.0048 10785 ALA 49 HB3 -0.0019 0.0004 -0.0035 10786 SER 50 N -0.0014 0.0010 -0.0075 10787 SER 50 CA -0.0014 0.0012 -0.0089 10788 SER 50 C -0.0003 0.0012 -0.0099 10789 SER 50 O 0.0007 0.0012 -0.0105 10790 SER 50 CB -0.0028 0.0015 -0.0096 10791 SER 50 OG -0.0037 0.0016 -0.0094 10792 SER 50 H -0.0022 0.0010 -0.0071 10793 SER 50 HA -0.0011 0.0012 -0.0089 10794 SER 50 HB2 -0.0034 0.0015 -0.0090 10795 SER 50 HB3 -0.0027 0.0017 -0.0107 10796 SER 50 HG -0.0031 0.0015 -0.0091 10797 GLU 51 N -0.0003 0.0012 -0.0101 10798 GLU 51 CA 0.0006 0.0013 -0.0110 10799 GLU 51 C 0.0022 0.0009 -0.0105 10800 GLU 51 O 0.0032 0.0009 -0.0113 10801 GLU 51 CB 0.0002 0.0013 -0.0111 10802 GLU 51 CG -0.0012 0.0017 -0.0118 10803 GLU 51 CD -0.0011 0.0019 -0.0133 10804 GLU 51 OE1 -0.0008 0.0020 -0.0143 10805 GLU 51 OE2 -0.0012 0.0019 -0.0134 10806 GLU 51 H -0.0011 0.0013 -0.0095 10807 GLU 51 HA 0.0006 0.0014 -0.0121 10808 GLU 51 HB2 0.0001 0.0012 -0.0100 10809 GLU 51 HB3 0.0010 0.0013 -0.0117 10810 GLU 51 HG2 -0.0018 0.0018 -0.0118 10811 GLU 51 HG3 -0.0019 0.0017 -0.0111 10812 ALA 52 N 0.0023 0.0007 -0.0091 10813 ALA 52 CA 0.0037 0.0004 -0.0085 10814 ALA 52 C 0.0043 0.0003 -0.0090 10815 ALA 52 O 0.0057 0.0001 -0.0089 10816 ALA 52 CB 0.0035 0.0001 -0.0068 10817 ALA 52 H 0.0014 0.0007 -0.0085 10818 ALA 52 HA 0.0043 0.0003 -0.0088 10819 ALA 52 HB1 0.0025 0.0002 -0.0065 10820 ALA 52 HB2 0.0034 0.0001 -0.0065 10821 ALA 52 HB3 0.0044 -0.0001 -0.0064 10822 GLY 53 N 0.0035 0.0006 -0.0094 10823 GLY 53 CA 0.0040 0.0006 -0.0099 10824 GLY 53 C 0.0031 0.0006 -0.0093 10825 GLY 53 O 0.0033 0.0007 -0.0099 10826 GLY 53 H 0.0024 0.0007 -0.0094 10827 GLY 53 HA2 0.0040 0.0008 -0.0111 10828 GLY 53 HA3 0.0051 0.0003 -0.0096 10829 LEU 54 N 0.0022 0.0006 -0.0083 10830 LEU 54 CA 0.0013 0.0006 -0.0076 10831 LEU 54 C 0.0002 0.0009 -0.0086 10832 LEU 54 O -0.0008 0.0011 -0.0090 10833 LEU 54 CB 0.0006 0.0005 -0.0062 10834 LEU 54 CG 0.0005 0.0003 -0.0051 10835 LEU 54 CD1 -0.0001 0.0001 -0.0037 10836 LEU 54 CD2 -0.0004 0.0005 -0.0056 10837 LEU 54 H 0.0021 0.0005 -0.0079 10838 LEU 54 HA 0.0021 0.0004 -0.0074 10839 LEU 54 HB2 0.0013 0.0003 -0.0058 10840 LEU 54 HB3 -0.0004 0.0007 -0.0064 10841 LEU 54 HG 0.0016 0.0001 -0.0048 10842 LEU 54 HD11 0.0006 -0.0000 -0.0032 10843 LEU 54 HD12 -0.0003 0.0001 -0.0029 10844 LEU 54 HD13 -0.0011 0.0003 -0.0039 10845 LEU 54 HD21 -0.0015 0.0006 -0.0054 10846 LEU 54 HD22 -0.0001 0.0004 -0.0050 10847 LEU 54 HD23 -0.0002 0.0007 -0.0067 10848 ARG 55 N 0.0001 0.0011 -0.0039 10849 ARG 55 CA -0.0001 0.0012 -0.0040 10850 ARG 55 C -0.0003 0.0012 -0.0038 10851 ARG 55 O -0.0002 0.0011 -0.0036 10852 ARG 55 CB 0.0000 0.0011 -0.0042 10853 ARG 55 CG 0.0002 0.0010 -0.0041 10854 ARG 55 CD 0.0001 0.0011 -0.0040 10855 ARG 55 NE 0.0000 0.0011 -0.0042 10856 ARG 55 CZ -0.0001 0.0012 -0.0041 10857 ARG 55 NH1 -0.0002 0.0012 -0.0039 10858 ARG 55 NH2 -0.0002 0.0013 -0.0043 10859 ARG 55 H 0.0002 0.0010 -0.0038 10860 ARG 55 HA -0.0002 0.0012 -0.0041 10861 ARG 55 HB2 -0.0001 0.0012 -0.0042 10862 ARG 55 HB3 0.0001 0.0011 -0.0044 10863 ARG 55 HG2 0.0004 0.0010 -0.0042 10864 ARG 55 HG3 0.0003 0.0010 -0.0039 10865 ARG 55 HD2 0.0002 0.0010 -0.0039 10866 ARG 55 HD3 -0.0001 0.0011 -0.0038 10867 ARG 55 HE 0.0001 0.0012 -0.0043 10868 ARG 55 HH11 -0.0001 0.0011 -0.0037 10869 ARG 55 HH12 -0.0003 0.0012 -0.0038 10870 ARG 55 HH21 -0.0002 0.0013 -0.0045 10871 ARG 55 HH22 -0.0003 0.0013 -0.0043 10872 GLN 56 N -0.0006 0.0013 -0.0038 10873 GLN 56 CA -0.0008 0.0013 -0.0037 10874 GLN 56 C -0.0007 0.0013 -0.0036 10875 GLN 56 O -0.0007 0.0013 -0.0038 10876 GLN 56 CB -0.0010 0.0014 -0.0038 10877 GLN 56 CG -0.0012 0.0015 -0.0036 10878 GLN 56 CD -0.0015 0.0016 -0.0037 10879 GLN 56 OE1 -0.0015 0.0016 -0.0039 10880 GLN 56 NE2 -0.0017 0.0017 -0.0036 10881 GLN 56 H -0.0006 0.0013 -0.0040 10882 GLN 56 HA -0.0008 0.0013 -0.0035 10883 GLN 56 HB2 -0.0010 0.0015 -0.0038 10884 GLN 56 HB3 -0.0010 0.0015 -0.0040 10885 GLN 56 HG2 -0.0013 0.0015 -0.0036 10886 GLN 56 HG3 -0.0012 0.0014 -0.0034 10887 GLN 56 HE21 -0.0017 0.0016 -0.0035 10888 GLN 56 HE22 -0.0019 0.0017 -0.0037 10889 GLY 57 N -0.0008 0.0013 -0.0034 10890 GLY 57 CA -0.0008 0.0013 -0.0033 10891 GLY 57 C -0.0005 0.0011 -0.0032 10892 GLY 57 O -0.0004 0.0011 -0.0033 10893 GLY 57 H -0.0009 0.0013 -0.0032 10894 GLY 57 HA2 -0.0009 0.0013 -0.0032 10895 GLY 57 HA3 -0.0008 0.0013 -0.0035 10896 ASP 58 N -0.0004 0.0011 -0.0031 10897 ASP 58 CA -0.0002 0.0010 -0.0030 10898 ASP 58 C -0.0002 0.0009 -0.0027 10899 ASP 58 O -0.0003 0.0009 -0.0026 10900 ASP 58 CB 0.0000 0.0009 -0.0031 10901 ASP 58 CG 0.0003 0.0008 -0.0032 10902 ASP 58 OD1 0.0004 0.0007 -0.0030 10903 ASP 58 OD2 0.0004 0.0008 -0.0034 10904 ASP 58 H -0.0005 0.0011 -0.0031 10905 ASP 58 HA -0.0001 0.0009 -0.0031 10906 ASP 58 HB2 -0.0000 0.0010 -0.0033 10907 ASP 58 HB3 0.0001 0.0009 -0.0030 10908 LEU 59 N -0.0000 0.0008 -0.0026 10909 LEU 59 CA -0.0000 0.0007 -0.0023 10910 LEU 59 C 0.0002 0.0006 -0.0022 10911 LEU 59 O 0.0004 0.0006 -0.0023 10912 LEU 59 CB 0.0000 0.0007 -0.0022 10913 LEU 59 CG 0.0001 0.0006 -0.0020 10914 LEU 59 CD1 -0.0001 0.0007 -0.0018 10915 LEU 59 CD2 0.0003 0.0006 -0.0019 10916 LEU 59 H 0.0001 0.0008 -0.0027 10917 LEU 59 HA -0.0002 0.0008 -0.0022 10918 LEU 59 HB2 -0.0001 0.0008 -0.0023 10919 LEU 59 HB3 0.0002 0.0007 -0.0024 10920 LEU 59 HG 0.0003 0.0006 -0.0019 10921 LEU 59 HD11 -0.0002 0.0007 -0.0018 10922 LEU 59 HD12 -0.0001 0.0006 -0.0016 10923 LEU 59 HD13 -0.0002 0.0007 -0.0018 10924 LEU 59 HD21 0.0001 0.0006 -0.0020 10925 LEU 59 HD22 0.0003 0.0005 -0.0017 10926 LEU 59 HD23 0.0004 0.0005 -0.0020 10927 ILE 60 N 0.0001 0.0006 -0.0020 10928 ILE 60 CA 0.0003 0.0005 -0.0019 10929 ILE 60 C 0.0005 0.0004 -0.0017 10930 ILE 60 O 0.0004 0.0004 -0.0015 10931 ILE 60 CB 0.0002 0.0006 -0.0018 10932 ILE 60 CG1 0.0001 0.0007 -0.0021 10933 ILE 60 CG2 0.0004 0.0005 -0.0017 10934 ILE 60 CD1 -0.0002 0.0008 -0.0021 10935 ILE 60 H -0.0000 0.0007 -0.0020 10936 ILE 60 HA 0.0005 0.0005 -0.0021 10937 ILE 60 HB 0.0001 0.0006 -0.0017 10938 ILE 60 HG12 0.0001 0.0006 -0.0020 10939 ILE 60 HG13 0.0002 0.0006 -0.0022 10940 ILE 60 HG21 0.0003 0.0005 -0.0016 10941 ILE 60 HG22 0.0005 0.0004 -0.0018 10942 ILE 60 HG23 0.0005 0.0004 -0.0015 10943 ILE 60 HD11 -0.0001 0.0008 -0.0022 10944 ILE 60 HD12 -0.0003 0.0008 -0.0023 10945 ILE 60 HD13 -0.0003 0.0008 -0.0019 10946 THR 61 N -0.0001 0.0025 -0.0034 10947 THR 61 CA -0.0002 0.0026 -0.0035 10948 THR 61 C 0.0004 0.0022 -0.0027 10949 THR 61 O 0.0001 0.0018 -0.0026 10950 THR 61 CB 0.0001 0.0036 -0.0039 10951 THR 61 OG1 0.0010 0.0041 -0.0034 10952 THR 61 CG2 -0.0003 0.0041 -0.0047 10953 THR 61 H 0.0003 0.0029 -0.0032 10954 THR 61 HA -0.0008 0.0023 -0.0038 10955 THR 61 HB 0.0000 0.0037 -0.0040 10956 THR 61 HG1 0.0013 0.0041 -0.0031 10957 THR 61 HG21 -0.0002 0.0041 -0.0045 10958 THR 61 HG22 -0.0010 0.0037 -0.0050 10959 THR 61 HG23 -0.0002 0.0048 -0.0050 10960 HIS 62 N 0.0011 0.0024 -0.0022 10961 HIS 62 CA 0.0016 0.0020 -0.0014 10962 HIS 62 C 0.0020 0.0016 -0.0008 10963 HIS 62 O 0.0020 0.0018 -0.0009 10964 HIS 62 CB 0.0023 0.0028 -0.0013 10965 HIS 62 CG 0.0020 0.0032 -0.0019 10966 HIS 62 ND1 0.0019 0.0041 -0.0025 10967 HIS 62 CD2 0.0018 0.0030 -0.0019 10968 HIS 62 CE1 0.0017 0.0043 -0.0029 10969 HIS 62 NE2 0.0016 0.0036 -0.0026 10970 HIS 62 H 0.0012 0.0027 -0.0023 10971 HIS 62 HA 0.0013 0.0015 -0.0013 10972 HIS 62 HB2 0.0026 0.0033 -0.0013 10973 HIS 62 HB3 0.0027 0.0025 -0.0007 10974 HIS 62 HD2 0.0017 0.0023 -0.0015 10975 HIS 62 HE1 0.0016 0.0049 -0.0034 10976 HIS 62 HE2 0.0015 0.0037 -0.0027 10977 VAL 63 N 0.0023 0.0011 -0.0001 10978 VAL 63 CA 0.0027 0.0007 0.0005 10979 VAL 63 C 0.0035 0.0006 0.0013 10980 VAL 63 O 0.0034 0.0001 0.0015 10981 VAL 63 CB 0.0022 -0.0003 0.0006 10982 VAL 63 CG1 0.0018 -0.0010 0.0008 10983 VAL 63 CG2 0.0026 -0.0006 0.0013 10984 VAL 63 H 0.0023 0.0009 -0.0000 10985 VAL 63 HA 0.0029 0.0011 0.0004 10986 VAL 63 HB 0.0017 -0.0002 0.0001 10987 VAL 63 HG11 0.0016 -0.0007 0.0004 10988 VAL 63 HG12 0.0014 -0.0016 0.0008 10989 VAL 63 HG13 0.0023 -0.0011 0.0013 10990 VAL 63 HG21 0.0023 -0.0013 0.0015 10991 VAL 63 HG22 0.0026 -0.0003 0.0011 10992 VAL 63 HG23 0.0032 -0.0004 0.0017 10993 ASN 64 N 0.0042 0.0011 0.0016 10994 ASN 64 CA 0.0049 0.0011 0.0023 10995 ASN 64 C 0.0050 0.0014 0.0022 10996 ASN 64 O 0.0054 0.0011 0.0028 10997 ASN 64 CB 0.0050 0.0002 0.0030 10998 ASN 64 CG 0.0057 0.0002 0.0036 10999 ASN 64 OD1 0.0059 0.0008 0.0035 11000 ASN 64 ND2 0.0060 -0.0003 0.0043 11001 ASN 64 H 0.0042 0.0015 0.0013 11002 ASN 64 HA 0.0054 0.0016 0.0024 11003 ASN 64 HB2 0.0044 -0.0003 0.0028 11004 ASN 64 HB3 0.0050 -0.0001 0.0032 11005 ASN 64 HD21 0.0058 -0.0008 0.0044 11006 ASN 64 HD22 0.0065 -0.0003 0.0047 11007 GLY 65 N 0.0047 0.0019 0.0015 11008 GLY 65 CA 0.0047 0.0022 0.0014 11009 GLY 65 C 0.0041 0.0015 0.0013 11010 GLY 65 O 0.0043 0.0013 0.0016 11011 GLY 65 H 0.0044 0.0022 0.0011 11012 GLY 65 HA2 0.0046 0.0028 0.0008 11013 GLY 65 HA3 0.0053 0.0024 0.0018 11014 GLU 66 N 0.0034 0.0011 0.0009 11015 GLU 66 CA 0.0028 0.0004 0.0008 11016 GLU 66 C 0.0020 0.0003 0.0001 11017 GLU 66 O 0.0018 0.0001 0.0000 11018 GLU 66 CB 0.0029 -0.0005 0.0015 11019 GLU 66 CG 0.0026 -0.0012 0.0017 11020 GLU 66 CD 0.0030 -0.0008 0.0018 11021 GLU 66 OE1 0.0027 -0.0003 0.0012 11022 GLU 66 OE2 0.0035 -0.0010 0.0024 11023 GLU 66 H 0.0033 0.0012 0.0007 11024 GLU 66 HA 0.0029 0.0005 0.0008 11025 GLU 66 HB2 0.0035 -0.0004 0.0020 11026 GLU 66 HB3 0.0025 -0.0008 0.0013 11027 GLU 66 HG2 0.0027 -0.0018 0.0022 11028 GLU 66 HG3 0.0019 -0.0014 0.0012 11029 PRO 67 N 0.0002 0.0006 -0.0008 11030 PRO 67 CA -0.0001 0.0007 -0.0010 11031 PRO 67 C -0.0002 0.0004 -0.0010 11032 PRO 67 O -0.0002 0.0001 -0.0009 11033 PRO 67 CB -0.0004 0.0007 -0.0011 11034 PRO 67 CG -0.0002 0.0006 -0.0010 11035 PRO 67 CD 0.0002 0.0006 -0.0008 11036 PRO 67 HA -0.0001 0.0009 -0.0010 11037 PRO 67 HB2 -0.0006 0.0005 -0.0011 11038 PRO 67 HB3 -0.0005 0.0009 -0.0012 11039 PRO 67 HG2 -0.0003 0.0003 -0.0009 11040 PRO 67 HG3 -0.0003 0.0007 -0.0010 11041 PRO 67 HD2 0.0003 0.0004 -0.0007 11042 PRO 67 HD3 0.0003 0.0009 -0.0008 11043 VAL 68 N -0.0003 0.0005 -0.0010 11044 VAL 68 CA -0.0004 0.0003 -0.0010 11045 VAL 68 C -0.0008 0.0002 -0.0012 11046 VAL 68 O -0.0009 -0.0000 -0.0012 11047 VAL 68 CB -0.0004 0.0005 -0.0010 11048 VAL 68 CG1 0.0000 0.0006 -0.0009 11049 VAL 68 CG2 -0.0006 0.0008 -0.0012 11050 VAL 68 H -0.0003 0.0008 -0.0011 11051 VAL 68 HA -0.0003 0.0001 -0.0009 11052 VAL 68 HB -0.0004 0.0003 -0.0010 11053 VAL 68 HG11 0.0001 0.0008 -0.0009 11054 VAL 68 HG12 0.0001 0.0004 -0.0008 11055 VAL 68 HG13 0.0000 0.0008 -0.0009 11056 VAL 68 HG21 -0.0008 0.0007 -0.0013 11057 VAL 68 HG22 -0.0005 0.0010 -0.0012 11058 VAL 68 HG23 -0.0005 0.0010 -0.0012 11059 HIS 69 N -0.0009 0.0004 -0.0013 11060 HIS 69 CA -0.0013 0.0003 -0.0014 11061 HIS 69 C -0.0014 -0.0001 -0.0014 11062 HIS 69 O -0.0013 -0.0002 -0.0013 11063 HIS 69 CB -0.0013 0.0005 -0.0015 11064 HIS 69 CG -0.0013 0.0009 -0.0015 11065 HIS 69 ND1 -0.0014 0.0011 -0.0016 11066 HIS 69 CD2 -0.0011 0.0011 -0.0015 11067 HIS 69 CE1 -0.0014 0.0015 -0.0017 11068 HIS 69 NE2 -0.0012 0.0015 -0.0016 11069 HIS 69 H -0.0008 0.0005 -0.0012 11070 HIS 69 HA -0.0014 0.0004 -0.0015 11071 HIS 69 HB2 -0.0011 0.0005 -0.0014 11072 HIS 69 HB3 -0.0016 0.0004 -0.0016 11073 HIS 69 HD2 -0.0010 0.0010 -0.0014 11074 HIS 69 HE1 -0.0014 0.0017 -0.0018 11075 HIS 69 HE2 -0.0012 0.0016 -0.0016 11076 GLY 70 N -0.0015 -0.0003 -0.0014 11077 GLY 70 CA -0.0016 -0.0006 -0.0014 11078 GLY 70 C -0.0014 -0.0009 -0.0012 11079 GLY 70 O -0.0015 -0.0012 -0.0012 11080 GLY 70 H -0.0015 -0.0002 -0.0014 11081 GLY 70 HA2 -0.0019 -0.0007 -0.0015 11082 GLY 70 HA3 -0.0016 -0.0007 -0.0013 11083 LEU 71 N -0.0011 -0.0007 -0.0011 11084 LEU 71 CA -0.0009 -0.0009 -0.0010 11085 LEU 71 C -0.0011 -0.0010 -0.0010 11086 LEU 71 O -0.0012 -0.0008 -0.0011 11087 LEU 71 CB -0.0006 -0.0007 -0.0009 11088 LEU 71 CG -0.0004 -0.0007 -0.0008 11089 LEU 71 CD1 -0.0000 -0.0005 -0.0007 11090 LEU 71 CD2 -0.0004 -0.0010 -0.0007 11091 LEU 71 H -0.0011 -0.0005 -0.0012 11092 LEU 71 HA -0.0009 -0.0012 -0.0009 11093 LEU 71 HB2 -0.0006 -0.0005 -0.0010 11094 LEU 71 HB3 -0.0004 -0.0009 -0.0008 11095 LEU 71 HG -0.0005 -0.0005 -0.0009 11096 LEU 71 HD11 0.0001 -0.0007 -0.0006 11097 LEU 71 HD12 -0.0000 -0.0003 -0.0007 11098 LEU 71 HD13 0.0001 -0.0005 -0.0006 11099 LEU 71 HD21 -0.0006 -0.0011 -0.0008 11100 LEU 71 HD22 -0.0003 -0.0012 -0.0007 11101 LEU 71 HD23 -0.0002 -0.0010 -0.0007 11102 VAL 72 N -0.0010 -0.0013 -0.0010 11103 VAL 72 CA -0.0012 -0.0014 -0.0010 11104 VAL 72 C -0.0009 -0.0013 -0.0009 11105 VAL 72 O -0.0007 -0.0011 -0.0008 11106 VAL 72 CB -0.0012 -0.0018 -0.0009 11107 VAL 72 CG1 -0.0009 -0.0020 -0.0008 11108 VAL 72 CG2 -0.0015 -0.0019 -0.0011 11109 VAL 72 H -0.0009 -0.0015 -0.0009 11110 VAL 72 HA -0.0014 -0.0013 -0.0011 11111 VAL 72 HB -0.0013 -0.0019 -0.0009 11112 VAL 72 HG11 -0.0009 -0.0023 -0.0007 11113 VAL 72 HG12 -0.0009 -0.0020 -0.0008 11114 VAL 72 HG13 -0.0007 -0.0019 -0.0007 11115 VAL 72 HG21 -0.0017 -0.0018 -0.0012 11116 VAL 72 HG22 -0.0015 -0.0018 -0.0011 11117 VAL 72 HG23 -0.0016 -0.0022 -0.0010 11118 HIS 73 N -0.0016 -0.0016 0.0005 11119 HIS 73 CA -0.0017 -0.0016 0.0004 11120 HIS 73 C -0.0015 -0.0016 0.0007 11121 HIS 73 O -0.0013 -0.0015 0.0007 11122 HIS 73 CB -0.0021 -0.0018 0.0004 11123 HIS 73 CG -0.0022 -0.0018 0.0002 11124 HIS 73 ND1 -0.0025 -0.0018 -0.0001 11125 HIS 73 CD2 -0.0021 -0.0017 0.0002 11126 HIS 73 CE1 -0.0025 -0.0017 -0.0003 11127 HIS 73 NE2 -0.0023 -0.0017 -0.0001 11128 HIS 73 H -0.0019 -0.0017 0.0004 11129 HIS 73 HA -0.0016 -0.0014 0.0002 11130 HIS 73 HB2 -0.0022 -0.0018 0.0003 11131 HIS 73 HB3 -0.0021 -0.0020 0.0007 11132 HIS 73 HD1 -0.0026 -0.0018 -0.0003 11133 HIS 73 HD2 -0.0019 -0.0017 0.0004 11134 HIS 73 HE1 -0.0027 -0.0017 -0.0005 11135 THR 74 N -0.0015 -0.0018 0.0011 11136 THR 74 CA -0.0013 -0.0019 0.0014 11137 THR 74 C -0.0009 -0.0017 0.0015 11138 THR 74 O -0.0007 -0.0017 0.0018 11139 THR 74 CB -0.0015 -0.0022 0.0017 11140 THR 74 OG1 -0.0015 -0.0022 0.0018 11141 THR 74 CG2 -0.0019 -0.0023 0.0015 11142 THR 74 H -0.0016 -0.0019 0.0011 11143 THR 74 HA -0.0013 -0.0018 0.0013 11144 THR 74 HB -0.0014 -0.0022 0.0019 11145 THR 74 HG1 -0.0013 -0.0023 0.0021 11146 THR 74 HG21 -0.0019 -0.0023 0.0014 11147 THR 74 HG22 -0.0020 -0.0025 0.0017 11148 THR 74 HG23 -0.0020 -0.0023 0.0013 11149 GLU 75 N -0.0008 -0.0016 0.0014 11150 GLU 75 CA -0.0005 -0.0014 0.0016 11151 GLU 75 C -0.0002 -0.0012 0.0014 11152 GLU 75 O 0.0001 -0.0011 0.0016 11153 GLU 75 CB -0.0005 -0.0014 0.0015 11154 GLU 75 CG -0.0006 -0.0016 0.0017 11155 GLU 75 CD -0.0004 -0.0015 0.0017 11156 GLU 75 OE1 -0.0006 -0.0014 0.0014 11157 GLU 75 OE2 -0.0002 -0.0014 0.0019 11158 GLU 75 H -0.0010 -0.0016 0.0012 11159 GLU 75 HA -0.0004 -0.0015 0.0019 11160 GLU 75 HB2 -0.0006 -0.0013 0.0012 11161 GLU 75 HB3 -0.0002 -0.0012 0.0014 11162 GLU 75 HG2 -0.0004 -0.0017 0.0020 11163 GLU 75 HG3 -0.0008 -0.0017 0.0016 11164 VAL 76 N -0.0003 -0.0010 0.0011 11165 VAL 76 CA -0.0001 -0.0008 0.0009 11166 VAL 76 C -0.0000 -0.0009 0.0011 11167 VAL 76 O 0.0002 -0.0007 0.0012 11168 VAL 76 CB -0.0002 -0.0007 0.0005 11169 VAL 76 CG1 -0.0002 -0.0005 0.0003 11170 VAL 76 CG2 -0.0006 -0.0009 0.0004 11171 VAL 76 H -0.0005 -0.0011 0.0009 11172 VAL 76 HA 0.0002 -0.0007 0.0010 11173 VAL 76 HB -0.0001 -0.0005 0.0004 11174 VAL 76 HG11 0.0001 -0.0004 0.0004 11175 VAL 76 HG12 -0.0002 -0.0004 0.0000 11176 VAL 76 HG13 -0.0003 -0.0006 0.0004 11177 VAL 76 HG21 -0.0007 -0.0011 0.0006 11178 VAL 76 HG22 -0.0008 -0.0008 0.0002 11179 VAL 76 HG23 -0.0006 -0.0008 0.0003 11180 VAL 77 N -0.0003 -0.0011 0.0011 11181 VAL 77 CA -0.0003 -0.0012 0.0013 11182 VAL 77 C -0.0001 -0.0012 0.0017 11183 VAL 77 O 0.0001 -0.0012 0.0018 11184 VAL 77 CB -0.0007 -0.0015 0.0013 11185 VAL 77 CG1 -0.0007 -0.0016 0.0016 11186 VAL 77 CG2 -0.0010 -0.0014 0.0010 11187 VAL 77 H -0.0006 -0.0012 0.0010 11188 VAL 77 HA -0.0003 -0.0011 0.0012 11189 VAL 77 HB -0.0008 -0.0016 0.0015 11190 VAL 77 HG11 -0.0010 -0.0017 0.0015 11191 VAL 77 HG12 -0.0006 -0.0014 0.0015 11192 VAL 77 HG13 -0.0006 -0.0017 0.0018 11193 VAL 77 HG21 -0.0012 -0.0016 0.0010 11194 VAL 77 HG22 -0.0009 -0.0013 0.0008 11195 VAL 77 HG23 -0.0009 -0.0013 0.0009 11196 GLU 78 N -0.0001 -0.0014 0.0019 11197 GLU 78 CA 0.0001 -0.0014 0.0023 11198 GLU 78 C 0.0005 -0.0012 0.0023 11199 GLU 78 O 0.0007 -0.0012 0.0025 11200 GLU 78 CB 0.0000 -0.0016 0.0024 11201 GLU 78 CG -0.0003 -0.0019 0.0026 11202 GLU 78 CD -0.0002 -0.0020 0.0029 11203 GLU 78 OE1 0.0000 -0.0020 0.0032 11204 GLU 78 OE2 -0.0004 -0.0022 0.0029 11205 GLU 78 H -0.0003 -0.0014 0.0018 11206 GLU 78 HA 0.0001 -0.0016 0.0024 11207 GLU 78 HB2 -0.0001 -0.0015 0.0022 11208 GLU 78 HB3 0.0003 -0.0016 0.0026 11209 GLU 78 HG2 -0.0002 -0.0019 0.0027 11210 GLU 78 HG3 -0.0005 -0.0019 0.0024 11211 LEU 79 N 0.0009 -0.0024 0.0041 11212 LEU 79 CA 0.0018 -0.0016 0.0040 11213 LEU 79 C 0.0022 -0.0012 0.0040 11214 LEU 79 O 0.0029 -0.0008 0.0046 11215 LEU 79 CB 0.0018 -0.0010 0.0030 11216 LEU 79 CG 0.0025 -0.0005 0.0032 11217 LEU 79 CD1 0.0034 0.0001 0.0037 11218 LEU 79 CD2 0.0022 -0.0010 0.0038 11219 LEU 79 H 0.0004 -0.0025 0.0036 11220 LEU 79 HA 0.0022 -0.0016 0.0047 11221 LEU 79 HB2 0.0011 -0.0014 0.0027 11222 LEU 79 HB3 0.0019 -0.0006 0.0025 11223 LEU 79 HG 0.0024 -0.0001 0.0024 11224 LEU 79 HD11 0.0036 0.0004 0.0032 11225 LEU 79 HD12 0.0039 0.0004 0.0038 11226 LEU 79 HD13 0.0035 -0.0003 0.0045 11227 LEU 79 HD21 0.0016 -0.0014 0.0034 11228 LEU 79 HD22 0.0023 -0.0014 0.0046 11229 LEU 79 HD23 0.0027 -0.0007 0.0039 11230 ILE 80 N 0.0016 -0.0014 0.0035 11231 ILE 80 CA 0.0019 -0.0011 0.0034 11232 ILE 80 C 0.0020 -0.0016 0.0045 11233 ILE 80 O 0.0027 -0.0012 0.0049 11234 ILE 80 CB 0.0012 -0.0013 0.0025 11235 ILE 80 CG1 0.0012 -0.0006 0.0015 11236 ILE 80 CG2 0.0013 -0.0012 0.0027 11237 ILE 80 CD1 0.0003 -0.0009 0.0006 11238 ILE 80 H 0.0010 -0.0017 0.0031 11239 ILE 80 HA 0.0025 -0.0005 0.0032 11240 ILE 80 HB 0.0005 -0.0019 0.0026 11241 ILE 80 HG12 0.0017 -0.0001 0.0013 11242 ILE 80 HG13 0.0015 -0.0005 0.0015 11243 ILE 80 HG21 0.0010 -0.0011 0.0019 11244 ILE 80 HG22 0.0020 -0.0008 0.0029 11245 ILE 80 HG23 0.0010 -0.0018 0.0032 11246 ILE 80 HD11 0.0004 -0.0004 -0.0001 11247 ILE 80 HD12 0.0001 -0.0011 0.0005 11248 ILE 80 HD13 -0.0001 -0.0014 0.0008 11249 LEU 81 N 0.0014 -0.0024 0.0049 11250 LEU 81 CA 0.0014 -0.0028 0.0059 11251 LEU 81 C 0.0022 -0.0026 0.0067 11252 LEU 81 O 0.0027 -0.0026 0.0075 11253 LEU 81 CB 0.0006 -0.0037 0.0061 11254 LEU 81 CG -0.0003 -0.0040 0.0053 11255 LEU 81 CD1 -0.0011 -0.0049 0.0056 11256 LEU 81 CD2 -0.0003 -0.0040 0.0053 11257 LEU 81 H 0.0008 -0.0026 0.0045 11258 LEU 81 HA 0.0015 -0.0027 0.0058 11259 LEU 81 HB2 0.0005 -0.0039 0.0062 11260 LEU 81 HB3 0.0006 -0.0041 0.0069 11261 LEU 81 HG -0.0003 -0.0036 0.0046 11262 LEU 81 HD11 -0.0011 -0.0049 0.0055 11263 LEU 81 HD12 -0.0017 -0.0051 0.0050 11264 LEU 81 HD13 -0.0011 -0.0053 0.0063 11265 LEU 81 HD21 -0.0002 -0.0044 0.0060 11266 LEU 81 HD22 -0.0009 -0.0043 0.0047 11267 LEU 81 HD23 0.0003 -0.0034 0.0051 11268 LYS 82 N 0.0024 -0.0025 0.0067 11269 LYS 82 CA 0.0031 -0.0023 0.0074 11270 LYS 82 C 0.0040 -0.0015 0.0075 11271 LYS 82 O 0.0046 -0.0014 0.0083 11272 LYS 82 CB 0.0030 -0.0022 0.0072 11273 LYS 82 CG 0.0035 -0.0022 0.0081 11274 LYS 82 CD 0.0037 -0.0019 0.0076 11275 LYS 82 CE 0.0028 -0.0024 0.0072 11276 LYS 82 NZ 0.0030 -0.0021 0.0070 11277 LYS 82 H 0.0020 -0.0025 0.0061 11278 LYS 82 HA 0.0030 -0.0028 0.0082 11279 LYS 82 HB2 0.0023 -0.0026 0.0069 11280 LYS 82 HB3 0.0033 -0.0016 0.0066 11281 LYS 82 HG2 0.0042 -0.0019 0.0085 11282 LYS 82 HG3 0.0031 -0.0029 0.0086 11283 LYS 82 HD2 0.0040 -0.0013 0.0070 11284 LYS 82 HD3 0.0041 -0.0018 0.0083 11285 LYS 82 HE2 0.0024 -0.0030 0.0077 11286 LYS 82 HE3 0.0024 -0.0023 0.0064 11287 LYS 82 HZ1 0.0024 -0.0025 0.0067 11288 LYS 82 HZ2 0.0033 -0.0022 0.0077 11289 LYS 82 HZ3 0.0033 -0.0015 0.0065 11290 SER 83 N 0.0041 -0.0009 0.0066 11291 SER 83 CA 0.0049 -0.0001 0.0065 11292 SER 83 C 0.0053 -0.0003 0.0072 11293 SER 83 O 0.0061 0.0001 0.0078 11294 SER 83 CB 0.0048 0.0004 0.0054 11295 SER 83 OG 0.0056 0.0011 0.0053 11296 SER 83 H 0.0036 -0.0010 0.0059 11297 SER 83 HA 0.0054 0.0002 0.0067 11298 SER 83 HB2 0.0047 0.0005 0.0049 11299 SER 83 HB3 0.0043 0.0000 0.0051 11300 SER 83 HG 0.0055 0.0011 0.0051 11301 GLY 84 N 0.0047 -0.0008 0.0072 11302 GLY 84 CA 0.0050 -0.0009 0.0079 11303 GLY 84 C 0.0046 -0.0009 0.0074 11304 GLY 84 O 0.0038 -0.0013 0.0068 11305 GLY 84 H 0.0041 -0.0011 0.0068 11306 GLY 84 HA2 0.0047 -0.0015 0.0085 11307 GLY 84 HA3 0.0057 -0.0004 0.0082 11308 ASN 85 N 0.0061 -0.0028 0.0080 11309 ASN 85 CA 0.0058 -0.0026 0.0075 11310 ASN 85 C 0.0057 -0.0018 0.0064 11311 ASN 85 O 0.0055 -0.0015 0.0058 11312 ASN 85 CB 0.0067 -0.0023 0.0081 11313 ASN 85 CG 0.0078 -0.0015 0.0081 11314 ASN 85 OD1 0.0080 -0.0008 0.0074 11315 ASN 85 ND2 0.0083 -0.0017 0.0090 11316 ASN 85 H 0.0068 -0.0026 0.0084 11317 ASN 85 HA 0.0051 -0.0032 0.0075 11318 ASN 85 HB2 0.0065 -0.0022 0.0077 11319 ASN 85 HB3 0.0067 -0.0029 0.0089 11320 ASN 85 HD21 0.0081 -0.0024 0.0095 11321 ASN 85 HD22 0.0090 -0.0012 0.0090 11322 LYS 86 N 0.0058 -0.0015 0.0060 11323 LYS 86 CA 0.0057 -0.0008 0.0049 11324 LYS 86 C 0.0054 -0.0008 0.0047 11325 LYS 86 O 0.0054 -0.0013 0.0053 11326 LYS 86 CB 0.0067 0.0001 0.0048 11327 LYS 86 CG 0.0077 0.0003 0.0056 11328 LYS 86 CD 0.0085 0.0012 0.0051 11329 LYS 86 CE 0.0094 0.0014 0.0059 11330 LYS 86 NZ 0.0091 0.0009 0.0063 11331 LYS 86 H 0.0059 -0.0017 0.0065 11332 LYS 86 HA 0.0051 -0.0008 0.0044 11333 LYS 86 HB2 0.0066 0.0006 0.0040 11334 LYS 86 HB3 0.0068 0.0002 0.0049 11335 LYS 86 HG2 0.0080 0.0000 0.0063 11336 LYS 86 HG3 0.0074 -0.0001 0.0059 11337 LYS 86 HD2 0.0081 0.0015 0.0045 11338 LYS 86 HD3 0.0087 0.0016 0.0049 11339 LYS 86 HE2 0.0100 0.0021 0.0056 11340 LYS 86 HE3 0.0097 0.0011 0.0066 11341 LYS 86 HZ1 0.0086 0.0002 0.0067 11342 LYS 86 HZ2 0.0098 0.0010 0.0068 11343 LYS 86 HZ3 0.0087 0.0011 0.0056 11344 VAL 87 N 0.0053 -0.0001 0.0037 11345 VAL 87 CA 0.0050 -0.0001 0.0033 11346 VAL 87 C 0.0050 0.0008 0.0022 11347 VAL 87 O 0.0049 0.0011 0.0016 11348 VAL 87 CB 0.0039 -0.0009 0.0033 11349 VAL 87 CG1 0.0031 -0.0009 0.0024 11350 VAL 87 CG2 0.0037 -0.0009 0.0031 11351 VAL 87 H 0.0053 0.0003 0.0032 11352 VAL 87 HA 0.0055 -0.0001 0.0039 11353 VAL 87 HB 0.0039 -0.0015 0.0040 11354 VAL 87 HG11 0.0023 -0.0015 0.0024 11355 VAL 87 HG12 0.0032 -0.0003 0.0017 11356 VAL 87 HG13 0.0032 -0.0010 0.0027 11357 VAL 87 HG21 0.0039 -0.0003 0.0024 11358 VAL 87 HG22 0.0028 -0.0014 0.0028 11359 VAL 87 HG23 0.0041 -0.0011 0.0038 11360 ALA 88 N 0.0053 0.0011 0.0021 11361 ALA 88 CA 0.0054 0.0019 0.0011 11362 ALA 88 C 0.0044 0.0017 0.0003 11363 ALA 88 O 0.0043 0.0016 0.0004 11364 ALA 88 CB 0.0063 0.0025 0.0013 11365 ALA 88 H 0.0055 0.0008 0.0026 11366 ALA 88 HA 0.0056 0.0023 0.0007 11367 ALA 88 HB1 0.0070 0.0027 0.0017 11368 ALA 88 HB2 0.0064 0.0031 0.0005 11369 ALA 88 HB3 0.0062 0.0021 0.0017 11370 ILE 89 N 0.0038 0.0017 -0.0004 11371 ILE 89 CA 0.0028 0.0015 -0.0011 11372 ILE 89 C 0.0030 0.0024 -0.0021 11373 ILE 89 O 0.0032 0.0030 -0.0027 11374 ILE 89 CB 0.0019 0.0011 -0.0014 11375 ILE 89 CG1 0.0009 0.0010 -0.0023 11376 ILE 89 CG2 0.0022 0.0015 -0.0017 11377 ILE 89 CD1 -0.0000 0.0003 -0.0024 11378 ILE 89 H 0.0039 0.0018 -0.0004 11379 ILE 89 HA 0.0026 0.0011 -0.0008 11380 ILE 89 HB 0.0017 0.0004 -0.0007 11381 ILE 89 HG12 0.0011 0.0016 -0.0030 11382 ILE 89 HG13 0.0008 0.0008 -0.0022 11383 ILE 89 HG21 0.0028 0.0015 -0.0010 11384 ILE 89 HG22 0.0015 0.0012 -0.0019 11385 ILE 89 HG23 0.0025 0.0022 -0.0023 11386 ILE 89 HD11 -0.0006 0.0004 -0.0032 11387 ILE 89 HD12 0.0001 0.0004 -0.0024 11388 ILE 89 HD13 -0.0003 -0.0003 -0.0018 11389 SER 90 N 0.0029 0.0025 -0.0023 11390 SER 90 CA 0.0030 0.0033 -0.0032 11391 SER 90 C 0.0020 0.0032 -0.0042 11392 SER 90 O 0.0013 0.0027 -0.0042 11393 SER 90 CB 0.0035 0.0035 -0.0030 11394 SER 90 OG 0.0043 0.0044 -0.0034 11395 SER 90 H 0.0027 0.0020 -0.0018 11396 SER 90 HA 0.0036 0.0039 -0.0034 11397 SER 90 HB2 0.0039 0.0031 -0.0021 11398 SER 90 HB3 0.0029 0.0032 -0.0033 11399 SER 90 HG 0.0044 0.0047 -0.0037 11400 THR 91 N -0.0005 0.0022 -0.0056 11401 THR 91 CA 0.0006 0.0024 -0.0041 11402 THR 91 C -0.0002 0.0015 -0.0027 11403 THR 91 O -0.0015 0.0006 -0.0029 11404 THR 91 CB 0.0014 0.0028 -0.0036 11405 THR 91 OG1 0.0004 0.0020 -0.0034 11406 THR 91 CG2 0.0025 0.0038 -0.0048 11407 THR 91 H -0.0011 0.0018 -0.0057 11408 THR 91 HA 0.0014 0.0030 -0.0044 11409 THR 91 HB 0.0021 0.0028 -0.0023 11410 THR 91 HG1 0.0005 0.0017 -0.0023 11411 THR 91 HG21 0.0018 0.0038 -0.0060 11412 THR 91 HG22 0.0032 0.0044 -0.0050 11413 THR 91 HG23 0.0031 0.0041 -0.0043 11414 THR 92 N 0.0007 0.0016 -0.0013 11415 THR 92 CA 0.0001 0.0007 0.0000 11416 THR 92 C 0.0003 0.0004 0.0016 11417 THR 92 O 0.0015 0.0009 0.0025 11418 THR 92 CB 0.0007 0.0010 0.0005 11419 THR 92 OG1 0.0000 0.0001 0.0019 11420 THR 92 CG2 0.0024 0.0019 0.0010 11421 THR 92 H 0.0018 0.0023 -0.0012 11422 THR 92 HA -0.0011 0.0001 -0.0004 11423 THR 92 HB 0.0004 0.0011 -0.0006 11424 THR 92 HG1 -0.0002 -0.0002 0.0026 11425 THR 92 HG21 0.0027 0.0018 0.0021 11426 THR 92 HG22 0.0028 0.0026 -0.0000 11427 THR 92 HG23 0.0028 0.0021 0.0012 11428 PRO 93 N -0.0009 -0.0005 0.0019 11429 PRO 93 CA -0.0009 -0.0010 0.0034 11430 PRO 93 C -0.0003 -0.0011 0.0051 11431 PRO 93 O -0.0001 -0.0010 0.0051 11432 PRO 93 CB -0.0025 -0.0020 0.0034 11433 PRO 93 CG -0.0032 -0.0019 0.0015 11434 PRO 93 CD -0.0024 -0.0011 0.0008 11435 PRO 93 HA -0.0002 -0.0005 0.0033 11436 PRO 93 HB2 -0.0030 -0.0026 0.0041 11437 PRO 93 HB3 -0.0026 -0.0022 0.0038 11438 PRO 93 HG2 -0.0044 -0.0026 0.0015 11439 PRO 93 HG3 -0.0031 -0.0016 0.0009 11440 PRO 93 HD2 -0.0030 -0.0015 0.0008 11441 PRO 93 HD3 -0.0023 -0.0006 -0.0005 11442 LEU 94 N -0.0001 -0.0014 0.0064 11443 LEU 94 CA 0.0005 -0.0015 0.0081 11444 LEU 94 C -0.0006 -0.0024 0.0087 11445 LEU 94 O -0.0019 -0.0031 0.0080 11446 LEU 94 CB 0.0008 -0.0017 0.0094 11447 LEU 94 CG 0.0007 -0.0015 0.0086 11448 LEU 94 CD1 -0.0009 -0.0025 0.0084 11449 LEU 94 CD2 0.0018 -0.0012 0.0097 11450 LEU 94 H -0.0003 -0.0015 0.0063 11451 LEU 94 HA 0.0015 -0.0008 0.0080 11452 LEU 94 HB2 0.0000 -0.0025 0.0102 11453 LEU 94 HB3 0.0019 -0.0012 0.0101 11454 LEU 94 HG 0.0011 -0.0009 0.0073 11455 LEU 94 HD11 -0.0015 -0.0025 0.0072 11456 LEU 94 HD12 -0.0009 -0.0025 0.0084 11457 LEU 94 HD13 -0.0014 -0.0032 0.0094 11458 LEU 94 HD21 0.0029 -0.0005 0.0097 11459 LEU 94 HD22 0.0015 -0.0018 0.0109 11460 LEU 94 HD23 0.0017 -0.0011 0.0091 11461 GLU 95 N -0.0001 -0.0025 0.0100 11462 GLU 95 CA -0.0010 -0.0033 0.0107 11463 GLU 95 C -0.0003 -0.0035 0.0125 11464 GLU 95 O 0.0009 -0.0029 0.0132 11465 GLU 95 CB -0.0011 -0.0031 0.0096 11466 GLU 95 CG 0.0003 -0.0022 0.0098 11467 GLU 95 CD 0.0015 -0.0011 0.0090 11468 GLU 95 OE1 0.0014 -0.0007 0.0074 11469 GLU 95 OE2 0.0026 -0.0007 0.0099 11470 GLU 95 H 0.0010 -0.0020 0.0105 11471 GLU 95 HA -0.0021 -0.0040 0.0106 11472 GLU 95 HB2 -0.0020 -0.0038 0.0100 11473 GLU 95 HB3 -0.0014 -0.0028 0.0083 11474 GLU 95 HG2 0.0007 -0.0024 0.0111 11475 GLU 95 HG3 0.0000 -0.0022 0.0093 11476 ASN 96 N -0.0011 -0.0042 0.0133 11477 ASN 96 CA -0.0006 -0.0045 0.0151 11478 ASN 96 C 0.0007 -0.0037 0.0152 11479 ASN 96 O 0.0009 -0.0031 0.0139 11480 ASN 96 CB -0.0019 -0.0055 0.0158 11481 ASN 96 CG -0.0022 -0.0056 0.0152 11482 ASN 96 OD1 -0.0016 -0.0054 0.0160 11483 ASN 96 ND2 -0.0032 -0.0058 0.0139 11484 ASN 96 OXT 0.0015 -0.0036 0.0166 11485 ASN 96 H -0.0020 -0.0046 0.0127 11486 ASN 96 HA -0.0002 -0.0044 0.0158 11487 ASN 96 HB2 -0.0016 -0.0058 0.0172 11488 ASN 96 HB3 -0.0029 -0.0061 0.0155 11489 ASN 96 HD21 -0.0037 -0.0059 0.0133 11490 ASN 96 HD22 -0.0035 -0.0058 0.0134 11491 SER 101 N 0.0047 -0.0081 0.0188 11492 SER 101 CA 0.0024 -0.0080 0.0173 11493 SER 101 C 0.0026 -0.0068 0.0151 11494 SER 101 O 0.0013 -0.0068 0.0144 11495 SER 101 CB 0.0017 -0.0081 0.0170 11496 SER 101 OG 0.0020 -0.0091 0.0191 11497 SER 101 H1 0.0051 -0.0082 0.0193 11498 SER 101 H2 0.0046 -0.0089 0.0203 11499 SER 101 H3 0.0061 -0.0072 0.0181 11500 SER 101 HA 0.0010 -0.0089 0.0181 11501 SER 101 HB2 0.0027 -0.0071 0.0159 11502 SER 101 HB3 -0.0002 -0.0083 0.0163 11503 SER 101 HG 0.0005 -0.0097 0.0193 11504 TRP 102 N 0.0043 -0.0056 0.0140 11505 TRP 102 CA 0.0047 -0.0043 0.0118 11506 TRP 102 C 0.0073 -0.0035 0.0118 11507 TRP 102 O 0.0089 -0.0037 0.0132 11508 TRP 102 CB 0.0036 -0.0036 0.0099 11509 TRP 102 CG 0.0050 -0.0031 0.0097 11510 TRP 102 CD1 0.0069 -0.0018 0.0085 11511 TRP 102 CD2 0.0047 -0.0037 0.0107 11512 TRP 102 NE1 0.0078 -0.0017 0.0088 11513 TRP 102 CE2 0.0064 -0.0028 0.0101 11514 TRP 102 CE3 0.0031 -0.0050 0.0121 11515 TRP 102 CZ2 0.0066 -0.0032 0.0108 11516 TRP 102 CZ3 0.0032 -0.0053 0.0128 11517 TRP 102 CH2 0.0050 -0.0044 0.0121 11518 TRP 102 H 0.0053 -0.0056 0.0146 11519 TRP 102 HA 0.0037 -0.0045 0.0116 11520 TRP 102 HB2 0.0035 -0.0028 0.0083 11521 TRP 102 HB3 0.0018 -0.0044 0.0101 11522 TRP 102 HD1 0.0076 -0.0011 0.0076 11523 TRP 102 HE1 0.0091 -0.0009 0.0081 11524 TRP 102 HE3 0.0017 -0.0057 0.0126 11525 TRP 102 HZ2 0.0080 -0.0025 0.0103 11526 TRP 102 HZ3 0.0020 -0.0063 0.0139 11527 TRP 102 HH2 0.0051 -0.0047 0.0127 11528 GLU 103 N 0.0079 -0.0024 0.0102 11529 GLU 103 CA 0.0104 -0.0015 0.0100 11530 GLU 103 C 0.0118 -0.0008 0.0094 11531 GLU 103 O 0.0133 -0.0010 0.0108 11532 GLU 103 CB 0.0105 -0.0005 0.0081 11533 GLU 103 CG 0.0102 -0.0010 0.0089 11534 GLU 103 CD 0.0080 -0.0023 0.0101 11535 GLU 103 OE1 0.0060 -0.0025 0.0093 11536 GLU 103 OE2 0.0083 -0.0032 0.0119 11537 GLU 103 H 0.0066 -0.0023 0.0092 11538 GLU 103 HA 0.0113 -0.0021 0.0115 11539 GLU 103 HB2 0.0090 -0.0003 0.0068 11540 GLU 103 HB3 0.0121 0.0004 0.0075 11541 GLU 103 HG2 0.0101 -0.0003 0.0075 11542 GLU 103 HG3 0.0118 -0.0011 0.0101 11543 SER 104 N 0.0112 0.0002 0.0073 11544 SER 104 CA 0.0124 0.0009 0.0066 11545 SER 104 C 0.0109 0.0015 0.0046 11546 SER 104 O 0.0091 0.0015 0.0036 11547 SER 104 CB 0.0149 0.0020 0.0061 11548 SER 104 OG 0.0150 0.0025 0.0053 11549 SER 104 H 0.0100 0.0003 0.0063 11550 SER 104 HA 0.0126 0.0003 0.0080 11551 SER 104 HB2 0.0154 0.0029 0.0048 11552 SER 104 HB3 0.0162 0.0016 0.0076 11553 SER 104 HG 0.0160 0.0022 0.0064 11554 HIS 105 N 0.0116 0.0021 0.0040 11555 HIS 105 CA 0.0104 0.0027 0.0021 11556 HIS 105 C 0.0120 0.0042 0.0003 11557 HIS 105 O 0.0139 0.0047 0.0005 11558 HIS 105 CB 0.0098 0.0021 0.0029 11559 HIS 105 CG 0.0090 0.0028 0.0011 11560 HIS 105 ND1 0.0095 0.0029 0.0013 11561 HIS 105 CD2 0.0077 0.0035 -0.0010 11562 HIS 105 CE1 0.0086 0.0036 -0.0006 11563 HIS 105 NE2 0.0074 0.0040 -0.0021 11564 HIS 105 H 0.0130 0.0020 0.0050 11565 HIS 105 HA 0.0087 0.0025 0.0015 11566 HIS 105 HB2 0.0084 0.0011 0.0039 11567 HIS 105 HB3 0.0114 0.0021 0.0039 11568 HIS 105 HD2 0.0070 0.0036 -0.0017 11569 HIS 105 HE1 0.0087 0.0038 -0.0010 11570 HIS 105 HE2 0.0071 0.0047 -0.0037 11571 LYS 106 N 0.0114 0.0049 -0.0015 11572 LYS 106 CA 0.0127 0.0064 -0.0034 11573 LYS 106 C 0.0110 0.0070 -0.0056 11574 LYS 106 O 0.0117 0.0082 -0.0073 11575 LYS 106 CB 0.0141 0.0068 -0.0033 11576 LYS 106 CG 0.0169 0.0075 -0.0030 11577 LYS 106 CD 0.0178 0.0066 -0.0007 11578 LYS 106 CE 0.0205 0.0073 -0.0004 11579 LYS 106 NZ 0.0215 0.0064 0.0019 11580 LYS 106 H 0.0099 0.0045 -0.0015 11581 LYS 106 HA 0.0140 0.0067 -0.0032 11582 LYS 106 HB2 0.0137 0.0060 -0.0020 11583 LYS 106 HB3 0.0136 0.0075 -0.0049 11584 LYS 106 HG2 0.0177 0.0080 -0.0033 11585 LYS 106 HG3 0.0173 0.0083 -0.0042 11586 LYS 106 HD2 0.0169 0.0061 -0.0003 11587 LYS 106 HD3 0.0175 0.0059 0.0005 11588 LYS 106 HE2 0.0214 0.0078 -0.0008 11589 LYS 106 HE3 0.0209 0.0081 -0.0016 11590 LYS 106 HZ1 0.0206 0.0059 0.0024 11591 LYS 106 HZ2 0.0233 0.0070 0.0020 11592 LYS 106 HZ3 0.0214 0.0058 0.0030 11593 SER 107 N 0.0047 0.0025 -0.0014 11594 SER 107 CA 0.0041 0.0032 -0.0013 11595 SER 107 C 0.0032 0.0029 -0.0012 11596 SER 107 O 0.0029 0.0023 -0.0012 11597 SER 107 CB 0.0044 0.0033 -0.0013 11598 SER 107 OG 0.0053 0.0035 -0.0014 11599 SER 107 H 0.0046 0.0019 -0.0015 11600 SER 107 HA 0.0043 0.0038 -0.0013 11601 SER 107 HB2 0.0042 0.0027 -0.0014 11602 SER 107 HB3 0.0040 0.0038 -0.0012 11603 SER 107 HG 0.0054 0.0041 -0.0014 11604 GLY 108 N 0.0028 0.0034 -0.0011 11605 GLY 108 CA 0.0019 0.0033 -0.0009 11606 GLY 108 C 0.0017 0.0025 -0.0010 11607 GLY 108 O 0.0023 0.0020 -0.0011 11608 GLY 108 H 0.0031 0.0039 -0.0011 11609 GLY 108 HA2 0.0016 0.0038 -0.0008 11610 GLY 108 HA3 0.0016 0.0031 -0.0009 11611 GLY 109 N 0.0009 0.0025 -0.0009 11612 GLY 109 CA 0.0007 0.0018 -0.0009 11613 GLY 109 C 0.0005 0.0009 -0.0010 11614 GLY 109 O 0.0011 0.0005 -0.0011 11615 GLY 109 H 0.0005 0.0029 -0.0008 11616 GLY 109 HA2 0.0012 0.0017 -0.0010 11617 GLY 109 HA3 0.0001 0.0020 -0.0008 11618 GLU 110 N -0.0003 0.0007 -0.0009 11619 GLU 110 CA -0.0006 -0.0001 -0.0009 11620 GLU 110 C -0.0015 -0.0000 -0.0008 11621 GLU 110 O -0.0020 -0.0005 -0.0008 11622 GLU 110 CB -0.0006 -0.0009 -0.0010 11623 GLU 110 CG 0.0002 -0.0011 -0.0012 11624 GLU 110 CD 0.0002 -0.0020 -0.0012 11625 GLU 110 OE1 -0.0002 -0.0026 -0.0012 11626 GLU 110 OE2 0.0006 -0.0020 -0.0013 11627 GLU 110 H -0.0007 0.0010 -0.0008 11628 GLU 110 HA -0.0001 -0.0003 -0.0010 11629 GLU 110 HB2 -0.0010 -0.0007 -0.0009 11630 GLU 110 HB3 -0.0009 -0.0014 -0.0010 11631 GLU 110 HG2 0.0007 -0.0012 -0.0012 11632 GLU 110 HG3 0.0004 -0.0006 -0.0011 11633 THR 111 N -0.0015 0.0007 -0.0007 11634 THR 111 CA -0.0023 0.0010 -0.0006 11635 THR 111 C -0.0026 0.0003 -0.0006 11636 THR 111 O -0.0020 -0.0000 -0.0007 11637 THR 111 CB -0.0023 0.0019 -0.0005 11638 THR 111 OG1 -0.0019 0.0025 -0.0005 11639 THR 111 CG2 -0.0031 0.0022 -0.0003 11640 THR 111 H -0.0010 0.0011 -0.0007 11641 THR 111 HA -0.0028 0.0010 -0.0005 11642 THR 111 HB -0.0019 0.0019 -0.0005 11643 THR 111 HG1 -0.0019 0.0022 -0.0005 11644 THR 111 HG21 -0.0035 0.0023 -0.0002 11645 THR 111 HG22 -0.0034 0.0018 -0.0003 11646 THR 111 HG23 -0.0031 0.0029 -0.0002 11647 ARG 112 N -0.0034 0.0002 -0.0005 11648 ARG 112 CA -0.0037 -0.0004 -0.0005 11649 ARG 112 C -0.0045 -0.0001 -0.0003 11650 ARG 112 O -0.0049 0.0005 -0.0002 11651 ARG 112 CB -0.0038 -0.0013 -0.0006 11652 ARG 112 CG -0.0045 -0.0013 -0.0005 11653 ARG 112 CD -0.0043 -0.0020 -0.0006 11654 ARG 112 NE -0.0035 -0.0019 -0.0007 11655 ARG 112 CZ -0.0031 -0.0025 -0.0008 11656 ARG 112 NH1 -0.0034 -0.0033 -0.0008 11657 ARG 112 NH2 -0.0024 -0.0023 -0.0009 11658 ARG 112 H -0.0038 0.0005 -0.0004 11659 ARG 112 HA -0.0032 -0.0005 -0.0006 11660 ARG 112 HB2 -0.0041 -0.0017 -0.0006 11661 ARG 112 HB3 -0.0033 -0.0015 -0.0007 11662 ARG 112 HG2 -0.0045 -0.0007 -0.0004 11663 ARG 112 HG3 -0.0051 -0.0014 -0.0004 11664 ARG 112 HD2 -0.0048 -0.0020 -0.0005 11665 ARG 112 HD3 -0.0043 -0.0026 -0.0006 11666 ARG 112 HE -0.0033 -0.0013 -0.0007 11667 ARG 112 HH11 -0.0039 -0.0034 -0.0008 11668 ARG 112 HH12 -0.0031 -0.0037 -0.0009 11669 ARG 112 HH21 -0.0021 -0.0017 -0.0009 11670 ARG 112 HH22 -0.0021 -0.0027 -0.0010 11671 LEU 113 N -0.0042 -0.0021 -0.0003 11672 LEU 113 CA -0.0038 -0.0019 0.0002 11673 LEU 113 C -0.0042 -0.0021 -0.0002 11674 LEU 113 O -0.0038 -0.0019 -0.0003 11675 LEU 113 CB -0.0027 -0.0016 -0.0000 11676 LEU 113 CG -0.0021 -0.0014 0.0006 11677 LEU 113 CD1 -0.0024 -0.0014 0.0017 11678 LEU 113 CD2 -0.0022 -0.0015 0.0002 11679 LEU 113 OXT -0.0051 -0.0023 -0.0005 11680 LEU 113 H -0.0040 -0.0021 -0.0010 11681 LEU 113 HA -0.0039 -0.0019 0.0009 11682 LEU 113 HB2 -0.0026 -0.0016 -0.0008 11683 LEU 113 HB3 -0.0025 -0.0015 0.0001 11684 LEU 113 HG -0.0014 -0.0012 0.0005 11685 LEU 113 HD11 -0.0024 -0.0014 0.0019 11686 LEU 113 HD12 -0.0019 -0.0012 0.0021 11687 LEU 113 HD13 -0.0031 -0.0016 0.0018 11688 LEU 113 HD21 -0.0020 -0.0015 -0.0005 11689 LEU 113 HD22 -0.0030 -0.0017 0.0003 11690 LEU 113 HD23 -0.0018 -0.0013 0.0006 11691 GLY 1 N -0.0019 0.0040 0.0088 11692 GLY 1 CA -0.0013 0.0043 0.0066 11693 GLY 1 C -0.0035 0.0043 0.0076 11694 GLY 1 O -0.0048 0.0040 0.0104 11695 GLY 1 H1 -0.0003 0.0040 0.0081 11696 GLY 1 H2 -0.0044 0.0042 0.0085 11697 GLY 1 H3 -0.0015 0.0037 0.0113 11698 GLY 1 HA2 0.0013 0.0041 0.0069 11699 GLY 1 HA3 -0.0018 0.0046 0.0041 11700 GLY 2 N -0.0040 0.0046 0.0053 11701 GLY 2 CA -0.0061 0.0047 0.0060 11702 GLY 2 C -0.0079 0.0052 0.0029 11703 GLY 2 O -0.0072 0.0055 0.0001 11704 GLY 2 H -0.0030 0.0048 0.0031 11705 GLY 2 HA2 -0.0080 0.0046 0.0078 11706 GLY 2 HA3 -0.0046 0.0045 0.0069 11707 SER 3 N -0.0103 0.0053 0.0034 11708 SER 3 CA -0.0122 0.0058 0.0006 11709 SER 3 C -0.0125 0.0058 0.0010 11710 SER 3 O -0.0121 0.0054 0.0037 11711 SER 3 CB -0.0156 0.0061 0.0005 11712 SER 3 OG -0.0155 0.0060 0.0009 11713 SER 3 H -0.0108 0.0051 0.0056 11714 SER 3 HA -0.0108 0.0060 -0.0016 11715 SER 3 HB2 -0.0172 0.0059 0.0025 11716 SER 3 HB3 -0.0168 0.0064 -0.0018 11717 SER 3 HG -0.0144 0.0062 -0.0010 11718 MET 4 N -0.0131 0.0062 -0.0018 11719 MET 4 CA -0.0135 0.0062 -0.0018 11720 MET 4 C -0.0103 0.0058 -0.0007 11721 MET 4 O -0.0100 0.0055 0.0021 11722 MET 4 CB -0.0164 0.0061 0.0003 11723 MET 4 CG -0.0198 0.0065 -0.0010 11724 MET 4 SD -0.0232 0.0064 0.0017 11725 MET 4 CE -0.0230 0.0065 0.0013 11726 MET 4 H -0.0133 0.0065 -0.0039 11727 MET 4 HA -0.0139 0.0066 -0.0044 11728 MET 4 HB2 -0.0161 0.0058 0.0028 11729 MET 4 HB3 -0.0164 0.0061 0.0005 11730 MET 4 HG2 -0.0202 0.0069 -0.0034 11731 MET 4 HG3 -0.0198 0.0066 -0.0011 11732 MET 4 HE1 -0.0207 0.0062 0.0024 11733 MET 4 HE2 -0.0251 0.0065 0.0026 11734 MET 4 HE3 -0.0230 0.0068 -0.0013 11735 ARG 5 N -0.0078 0.0059 -0.0029 11736 ARG 5 CA -0.0046 0.0056 -0.0021 11737 ARG 5 C -0.0050 0.0056 -0.0021 11738 ARG 5 O -0.0066 0.0060 -0.0044 11739 ARG 5 CB -0.0019 0.0057 -0.0046 11740 ARG 5 CG -0.0007 0.0056 -0.0041 11741 ARG 5 CD -0.0031 0.0059 -0.0056 11742 ARG 5 NE -0.0020 0.0058 -0.0051 11743 ARG 5 CZ -0.0031 0.0061 -0.0068 11744 ARG 5 NH1 -0.0054 0.0066 -0.0091 11745 ARG 5 NH2 -0.0019 0.0059 -0.0062 11746 ARG 5 H -0.0081 0.0062 -0.0051 11747 ARG 5 HA -0.0039 0.0053 0.0003 11748 ARG 5 HB2 -0.0029 0.0061 -0.0071 11749 ARG 5 HB3 0.0002 0.0056 -0.0044 11750 ARG 5 HG2 0.0017 0.0056 -0.0053 11751 ARG 5 HG3 -0.0004 0.0052 -0.0015 11752 ARG 5 HD2 -0.0055 0.0060 -0.0045 11753 ARG 5 HD3 -0.0032 0.0063 -0.0082 11754 ARG 5 HE -0.0002 0.0055 -0.0034 11755 ARG 5 HH11 -0.0064 0.0067 -0.0096 11756 ARG 5 HH12 -0.0062 0.0068 -0.0104 11757 ARG 5 HH21 -0.0002 0.0056 -0.0044 11758 ARG 5 HH22 -0.0028 0.0062 -0.0075 11759 PRO 6 N -0.0036 0.0052 0.0003 11760 PRO 6 CA -0.0039 0.0052 0.0006 11761 PRO 6 C -0.0010 0.0052 -0.0010 11762 PRO 6 O 0.0019 0.0049 -0.0000 11763 PRO 6 CB -0.0038 0.0047 0.0044 11764 PRO 6 CG -0.0030 0.0045 0.0059 11765 PRO 6 CD -0.0017 0.0047 0.0031 11766 PRO 6 HA -0.0062 0.0055 -0.0003 11767 PRO 6 HB2 -0.0019 0.0045 0.0050 11768 PRO 6 HB3 -0.0062 0.0048 0.0052 11769 PRO 6 HG2 -0.0011 0.0041 0.0078 11770 PRO 6 HG3 -0.0053 0.0045 0.0069 11771 PRO 6 HD2 0.0009 0.0046 0.0028 11772 PRO 6 HD3 -0.0023 0.0047 0.0036 11773 PRO 7 N 0.0072 0.0038 -0.0038 11774 PRO 7 CA 0.0065 0.0031 -0.0029 11775 PRO 7 C 0.0065 0.0032 -0.0032 11776 PRO 7 O 0.0076 0.0036 -0.0032 11777 PRO 7 CB 0.0073 0.0027 -0.0016 11778 PRO 7 CG 0.0082 0.0031 -0.0017 11779 PRO 7 CD 0.0085 0.0039 -0.0031 11780 PRO 7 HA 0.0054 0.0028 -0.0029 11781 PRO 7 HB2 0.0078 0.0027 -0.0012 11782 PRO 7 HB3 0.0066 0.0021 -0.0009 11783 PRO 7 HG2 0.0091 0.0030 -0.0010 11784 PRO 7 HG3 0.0077 0.0028 -0.0015 11785 PRO 7 HD2 0.0093 0.0042 -0.0032 11786 PRO 7 HD3 0.0087 0.0041 -0.0034 11787 ILE 8 N 0.0053 0.0030 -0.0034 11788 ILE 8 CA 0.0051 0.0030 -0.0037 11789 ILE 8 C 0.0052 0.0024 -0.0024 11790 ILE 8 O 0.0042 0.0017 -0.0017 11791 ILE 8 CB 0.0037 0.0030 -0.0045 11792 ILE 8 CG1 0.0034 0.0034 -0.0055 11793 ILE 8 CG2 0.0038 0.0034 -0.0052 11794 ILE 8 CD1 0.0020 0.0030 -0.0057 11795 ILE 8 H 0.0045 0.0027 -0.0034 11796 ILE 8 HA 0.0059 0.0036 -0.0041 11797 ILE 8 HB 0.0029 0.0024 -0.0039 11798 ILE 8 HG12 0.0038 0.0040 -0.0064 11799 ILE 8 HG13 0.0040 0.0034 -0.0051 11800 ILE 8 HG21 0.0044 0.0033 -0.0046 11801 ILE 8 HG22 0.0028 0.0032 -0.0055 11802 ILE 8 HG23 0.0042 0.0040 -0.0061 11803 ILE 8 HD11 0.0017 0.0025 -0.0049 11804 ILE 8 HD12 0.0018 0.0034 -0.0066 11805 ILE 8 HD13 0.0013 0.0029 -0.0059 11806 ILE 9 N 0.0062 0.0025 -0.0020 11807 ILE 9 CA 0.0064 0.0020 -0.0008 11808 ILE 9 C 0.0055 0.0017 -0.0009 11809 ILE 9 O 0.0059 0.0021 -0.0013 11810 ILE 9 CB 0.0079 0.0022 -0.0004 11811 ILE 9 CG1 0.0089 0.0028 -0.0007 11812 ILE 9 CG2 0.0081 0.0016 0.0011 11813 ILE 9 CD1 0.0089 0.0024 0.0000 11814 ILE 9 H 0.0069 0.0031 -0.0026 11815 ILE 9 HA 0.0061 0.0015 -0.0001 11816 ILE 9 HB 0.0081 0.0026 -0.0008 11817 ILE 9 HG12 0.0086 0.0032 -0.0017 11818 ILE 9 HG13 0.0099 0.0030 -0.0006 11819 ILE 9 HG21 0.0075 0.0012 0.0013 11820 ILE 9 HG22 0.0092 0.0018 0.0014 11821 ILE 9 HG23 0.0079 0.0012 0.0016 11822 ILE 9 HD11 0.0097 0.0028 -0.0002 11823 ILE 9 HD12 0.0079 0.0021 -0.0002 11824 ILE 9 HD13 0.0092 0.0019 0.0010 11825 ILE 10 N 0.0043 0.0011 -0.0005 11826 ILE 10 CA 0.0034 0.0008 -0.0005 11827 ILE 10 C 0.0040 0.0004 0.0007 11828 ILE 10 O 0.0048 0.0002 0.0016 11829 ILE 10 CB 0.0019 0.0002 -0.0003 11830 ILE 10 CG1 0.0013 0.0005 -0.0013 11831 ILE 10 CG2 0.0010 -0.0001 -0.0004 11832 ILE 10 CD1 0.0005 -0.0001 -0.0007 11833 ILE 10 H 0.0041 0.0008 -0.0001 11834 ILE 10 HA 0.0034 0.0012 -0.0013 11835 ILE 10 HB 0.0020 -0.0003 0.0007 11836 ILE 10 HG12 0.0007 0.0006 -0.0020 11837 ILE 10 HG13 0.0021 0.0009 -0.0016 11838 ILE 10 HG21 -0.0000 -0.0003 -0.0006 11839 ILE 10 HG22 0.0013 0.0004 -0.0012 11840 ILE 10 HG23 0.0012 -0.0005 0.0005 11841 ILE 10 HD11 0.0011 -0.0002 -0.0001 11842 ILE 10 HD12 -0.0002 0.0001 -0.0014 11843 ILE 10 HD13 -0.0002 -0.0006 -0.0001 11844 HIS 11 N 0.0036 0.0002 0.0007 11845 HIS 11 CA 0.0041 -0.0001 0.0017 11846 HIS 11 C 0.0029 -0.0007 0.0020 11847 HIS 11 O 0.0023 -0.0005 0.0012 11848 HIS 11 CB 0.0052 0.0004 0.0014 11849 HIS 11 CG 0.0058 0.0001 0.0024 11850 HIS 11 ND1 0.0054 -0.0000 0.0024 11851 HIS 11 CD2 0.0066 -0.0002 0.0035 11852 HIS 11 CE1 0.0060 -0.0004 0.0035 11853 HIS 11 NE2 0.0068 -0.0005 0.0042 11854 HIS 11 H 0.0030 0.0004 -0.0000 11855 HIS 11 HA 0.0045 -0.0004 0.0025 11856 HIS 11 HB2 0.0061 0.0008 0.0012 11857 HIS 11 HB3 0.0048 0.0007 0.0006 11858 HIS 11 HD2 0.0071 -0.0002 0.0039 11859 HIS 11 HE1 0.0060 -0.0006 0.0037 11860 HIS 11 HE2 0.0075 -0.0007 0.0049 11861 ARG 12 N 0.0025 -0.0014 0.0031 11862 ARG 12 CA 0.0014 -0.0020 0.0036 11863 ARG 12 C 0.0016 -0.0020 0.0036 11864 ARG 12 O 0.0025 -0.0021 0.0045 11865 ARG 12 CB 0.0011 -0.0028 0.0049 11866 ARG 12 CG -0.0002 -0.0035 0.0052 11867 ARG 12 CD -0.0005 -0.0042 0.0064 11868 ARG 12 NE -0.0017 -0.0048 0.0069 11869 ARG 12 CZ -0.0018 -0.0055 0.0082 11870 ARG 12 NH1 -0.0007 -0.0056 0.0090 11871 ARG 12 NH2 -0.0029 -0.0061 0.0085 11872 ARG 12 H 0.0030 -0.0016 0.0037 11873 ARG 12 HA 0.0005 -0.0020 0.0029 11874 ARG 12 HB2 0.0012 -0.0028 0.0049 11875 ARG 12 HB3 0.0019 -0.0029 0.0056 11876 ARG 12 HG2 -0.0003 -0.0036 0.0054 11877 ARG 12 HG3 -0.0010 -0.0033 0.0045 11878 ARG 12 HD2 -0.0006 -0.0041 0.0062 11879 ARG 12 HD3 0.0004 -0.0042 0.0072 11880 ARG 12 HE -0.0025 -0.0048 0.0063 11881 ARG 12 HH11 0.0002 -0.0052 0.0088 11882 ARG 12 HH12 -0.0008 -0.0061 0.0100 11883 ARG 12 HH21 -0.0038 -0.0060 0.0079 11884 ARG 12 HH22 -0.0030 -0.0066 0.0095 11885 ALA 13 N -0.0007 -0.0016 0.0017 11886 ALA 13 CA -0.0011 -0.0017 0.0014 11887 ALA 13 C -0.0025 -0.0022 0.0026 11888 ALA 13 O -0.0037 -0.0024 0.0021 11889 ALA 13 CB -0.0017 -0.0015 -0.0004 11890 ALA 13 H -0.0013 -0.0016 0.0009 11891 ALA 13 HA 0.0000 -0.0014 0.0017 11892 ALA 13 HB1 -0.0030 -0.0018 -0.0006 11893 ALA 13 HB2 -0.0009 -0.0012 -0.0013 11894 ALA 13 HB3 -0.0015 -0.0014 -0.0007 11895 GLY 14 N -0.0022 -0.0024 0.0043 11896 GLY 14 CA -0.0034 -0.0029 0.0055 11897 GLY 14 C -0.0051 -0.0033 0.0054 11898 GLY 14 O -0.0064 -0.0037 0.0059 11899 GLY 14 H -0.0012 -0.0022 0.0047 11900 GLY 14 HA2 -0.0028 -0.0030 0.0068 11901 GLY 14 HA3 -0.0036 -0.0029 0.0054 11902 LYS 15 N -0.0050 -0.0031 0.0046 11903 LYS 15 CA -0.0066 -0.0035 0.0043 11904 LYS 15 C -0.0062 -0.0034 0.0043 11905 LYS 15 O -0.0063 -0.0036 0.0056 11906 LYS 15 CB -0.0076 -0.0034 0.0027 11907 LYS 15 CG -0.0065 -0.0029 0.0012 11908 LYS 15 CD -0.0075 -0.0029 -0.0005 11909 LYS 15 CE -0.0084 -0.0031 -0.0007 11910 LYS 15 NZ -0.0092 -0.0030 -0.0025 11911 LYS 15 H -0.0040 -0.0028 0.0042 11912 LYS 15 HA -0.0073 -0.0038 0.0054 11913 LYS 15 HB2 -0.0083 -0.0036 0.0023 11914 LYS 15 HB3 -0.0084 -0.0037 0.0030 11915 LYS 15 HG2 -0.0060 -0.0028 0.0015 11916 LYS 15 HG3 -0.0054 -0.0027 0.0011 11917 LYS 15 HD2 -0.0066 -0.0025 -0.0015 11918 LYS 15 HD3 -0.0083 -0.0031 -0.0005 11919 LYS 15 HE2 -0.0094 -0.0035 0.0002 11920 LYS 15 HE3 -0.0076 -0.0029 -0.0005 11921 LYS 15 HZ1 -0.0101 -0.0031 -0.0027 11922 LYS 15 HZ2 -0.0083 -0.0026 -0.0034 11923 LYS 15 HZ3 -0.0098 -0.0031 -0.0027 11924 LYS 16 N -0.0056 -0.0030 0.0029 11925 LYS 16 CA -0.0053 -0.0029 0.0027 11926 LYS 16 C -0.0041 -0.0023 0.0012 11927 LYS 16 O -0.0036 -0.0021 0.0004 11928 LYS 16 CB -0.0069 -0.0032 0.0024 11929 LYS 16 CG -0.0080 -0.0032 0.0009 11930 LYS 16 CD -0.0098 -0.0037 0.0008 11931 LYS 16 CE -0.0107 -0.0036 -0.0009 11932 LYS 16 NZ -0.0110 -0.0036 -0.0014 11933 LYS 16 H -0.0055 -0.0028 0.0019 11934 LYS 16 HA -0.0047 -0.0029 0.0039 11935 LYS 16 HB2 -0.0066 -0.0031 0.0021 11936 LYS 16 HB3 -0.0076 -0.0036 0.0035 11937 LYS 16 HG2 -0.0081 -0.0033 0.0010 11938 LYS 16 HG3 -0.0074 -0.0029 -0.0003 11939 LYS 16 HD2 -0.0096 -0.0037 0.0011 11940 LYS 16 HD3 -0.0105 -0.0040 0.0018 11941 LYS 16 HE2 -0.0099 -0.0032 -0.0019 11942 LYS 16 HE3 -0.0119 -0.0039 -0.0009 11943 LYS 16 HZ1 -0.0104 -0.0033 -0.0025 11944 LYS 16 HZ2 -0.0105 -0.0036 -0.0004 11945 LYS 16 HZ3 -0.0123 -0.0039 -0.0016 11946 TYR 17 N -0.0036 -0.0022 0.0010 11947 TYR 17 CA -0.0025 -0.0017 -0.0004 11948 TYR 17 C -0.0036 -0.0017 -0.0020 11949 TYR 17 O -0.0029 -0.0013 -0.0033 11950 TYR 17 CB -0.0014 -0.0015 0.0002 11951 TYR 17 CG -0.0007 -0.0017 0.0020 11952 TYR 17 CD1 -0.0016 -0.0021 0.0034 11953 TYR 17 CD2 0.0009 -0.0013 0.0023 11954 TYR 17 CE1 -0.0010 -0.0022 0.0050 11955 TYR 17 CE2 0.0015 -0.0015 0.0040 11956 TYR 17 CZ 0.0006 -0.0019 0.0054 11957 TYR 17 OH 0.0012 -0.0021 0.0070 11958 TYR 17 H -0.0041 -0.0024 0.0017 11959 TYR 17 HA -0.0017 -0.0015 -0.0006 11960 TYR 17 HB2 -0.0021 -0.0017 0.0001 11961 TYR 17 HB3 -0.0003 -0.0011 -0.0007 11962 TYR 17 HD1 -0.0029 -0.0024 0.0031 11963 TYR 17 HD2 0.0016 -0.0010 0.0013 11964 TYR 17 HE1 -0.0017 -0.0026 0.0061 11965 TYR 17 HE2 0.0028 -0.0012 0.0042 11966 TYR 17 HH 0.0020 -0.0019 0.0071 11967 GLY 18 N -0.0052 -0.0021 -0.0019 11968 GLY 18 CA -0.0065 -0.0022 -0.0033 11969 GLY 18 C -0.0067 -0.0021 -0.0040 11970 GLY 18 O -0.0081 -0.0023 -0.0047 11971 GLY 18 H -0.0056 -0.0024 -0.0008 11972 GLY 18 HA2 -0.0077 -0.0025 -0.0029 11973 GLY 18 HA3 -0.0061 -0.0019 -0.0044 11974 PHE 19 N -0.0031 -0.0011 -0.0028 11975 PHE 19 CA -0.0028 -0.0012 -0.0025 11976 PHE 19 C -0.0027 -0.0009 -0.0022 11977 PHE 19 O -0.0028 -0.0006 -0.0022 11978 PHE 19 CB -0.0026 -0.0016 -0.0025 11979 PHE 19 CG -0.0025 -0.0015 -0.0023 11980 PHE 19 CD1 -0.0027 -0.0015 -0.0025 11981 PHE 19 CD2 -0.0022 -0.0015 -0.0020 11982 PHE 19 CE1 -0.0026 -0.0014 -0.0024 11983 PHE 19 CE2 -0.0021 -0.0015 -0.0019 11984 PHE 19 CZ -0.0023 -0.0014 -0.0021 11985 PHE 19 H -0.0032 -0.0012 -0.0029 11986 PHE 19 HA -0.0028 -0.0013 -0.0026 11987 PHE 19 HB2 -0.0024 -0.0017 -0.0023 11988 PHE 19 HB3 -0.0027 -0.0018 -0.0027 11989 PHE 19 HD1 -0.0029 -0.0015 -0.0027 11990 PHE 19 HD2 -0.0020 -0.0016 -0.0019 11991 PHE 19 HE1 -0.0027 -0.0014 -0.0025 11992 PHE 19 HE2 -0.0018 -0.0015 -0.0017 11993 PHE 19 HZ -0.0022 -0.0014 -0.0020 11994 THR 20 N -0.0025 -0.0009 -0.0020 11995 THR 20 CA -0.0023 -0.0006 -0.0018 11996 THR 20 C -0.0020 -0.0007 -0.0015 11997 THR 20 O -0.0018 -0.0010 -0.0014 11998 THR 20 CB -0.0023 -0.0004 -0.0017 11999 THR 20 OG1 -0.0026 -0.0003 -0.0019 12000 THR 20 CG2 -0.0022 -0.0001 -0.0014 12001 THR 20 H -0.0025 -0.0011 -0.0021 12002 THR 20 HA -0.0025 -0.0003 -0.0018 12003 THR 20 HB -0.0022 -0.0007 -0.0017 12004 THR 20 HG1 -0.0027 -0.0005 -0.0021 12005 THR 20 HG21 -0.0023 0.0001 -0.0014 12006 THR 20 HG22 -0.0020 -0.0002 -0.0012 12007 THR 20 HG23 -0.0021 -0.0001 -0.0013 12008 LEU 21 N -0.0020 -0.0005 -0.0014 12009 LEU 21 CA -0.0017 -0.0006 -0.0011 12010 LEU 21 C -0.0015 -0.0004 -0.0008 12011 LEU 21 O -0.0015 -0.0001 -0.0007 12012 LEU 21 CB -0.0017 -0.0006 -0.0011 12013 LEU 21 CG -0.0014 -0.0008 -0.0010 12014 LEU 21 CD1 -0.0013 -0.0012 -0.0009 12015 LEU 21 CD2 -0.0016 -0.0010 -0.0011 12016 LEU 21 H -0.0021 -0.0003 -0.0014 12017 LEU 21 HA -0.0016 -0.0009 -0.0011 12018 LEU 21 HB2 -0.0019 -0.0006 -0.0013 12019 LEU 21 HB3 -0.0017 -0.0003 -0.0010 12020 LEU 21 HG -0.0013 -0.0007 -0.0007 12021 LEU 21 HD11 -0.0014 -0.0014 -0.0012 12022 LEU 21 HD12 -0.0012 -0.0011 -0.0008 12023 LEU 21 HD13 -0.0011 -0.0014 -0.0009 12024 LEU 21 HD21 -0.0017 -0.0007 -0.0012 12025 LEU 21 HD22 -0.0017 -0.0011 -0.0014 12026 LEU 21 HD23 -0.0014 -0.0011 -0.0010 12027 ARG 22 N -0.0013 -0.0006 -0.0007 12028 ARG 22 CA -0.0011 -0.0004 -0.0004 12029 ARG 22 C -0.0008 -0.0004 -0.0002 12030 ARG 22 O -0.0007 -0.0007 -0.0002 12031 ARG 22 CB -0.0010 -0.0006 -0.0004 12032 ARG 22 CG -0.0010 -0.0003 -0.0003 12033 ARG 22 CD -0.0013 -0.0001 -0.0004 12034 ARG 22 NE -0.0012 0.0001 -0.0003 12035 ARG 22 CZ -0.0014 0.0003 -0.0004 12036 ARG 22 NH1 -0.0017 0.0004 -0.0007 12037 ARG 22 NH2 -0.0014 0.0004 -0.0003 12038 ARG 22 H -0.0013 -0.0008 -0.0009 12039 ARG 22 HA -0.0013 -0.0001 -0.0004 12040 ARG 22 HB2 -0.0012 -0.0007 -0.0007 12041 ARG 22 HB3 -0.0008 -0.0008 -0.0003 12042 ARG 22 HG2 -0.0008 -0.0005 -0.0002 12043 ARG 22 HG3 -0.0008 -0.0001 -0.0000 12044 ARG 22 HD2 -0.0014 0.0002 -0.0004 12045 ARG 22 HD3 -0.0014 -0.0003 -0.0007 12046 ARG 22 HE -0.0010 -0.0000 -0.0001 12047 ARG 22 HH11 -0.0018 0.0003 -0.0007 12048 ARG 22 HH12 -0.0019 0.0006 -0.0007 12049 ARG 22 HH21 -0.0011 0.0003 -0.0001 12050 ARG 22 HH22 -0.0015 0.0006 -0.0004 12051 ALA 23 N -0.0007 -0.0001 0.0001 12052 ALA 23 CA -0.0005 -0.0001 0.0004 12053 ALA 23 C -0.0002 -0.0001 0.0006 12054 ALA 23 O -0.0002 -0.0000 0.0006 12055 ALA 23 CB -0.0005 0.0003 0.0005 12056 ALA 23 H -0.0008 0.0001 0.0001 12057 ALA 23 HA -0.0004 -0.0003 0.0003 12058 ALA 23 HB1 -0.0003 0.0004 0.0007 12059 ALA 23 HB2 -0.0006 0.0006 0.0005 12060 ALA 23 HB3 -0.0007 0.0004 0.0003 12061 ILE 24 N 0.0001 -0.0003 0.0008 12062 ILE 24 CA 0.0004 -0.0004 0.0010 12063 ILE 24 C 0.0006 -0.0004 0.0013 12064 ILE 24 O 0.0006 -0.0003 0.0013 12065 ILE 24 CB 0.0005 -0.0008 0.0009 12066 ILE 24 CG1 0.0004 -0.0011 0.0007 12067 ILE 24 CG2 0.0003 -0.0008 0.0008 12068 ILE 24 CD1 0.0006 -0.0015 0.0007 12069 ILE 24 H 0.0001 -0.0004 0.0008 12070 ILE 24 HA 0.0003 -0.0002 0.0011 12071 ILE 24 HB 0.0007 -0.0009 0.0011 12072 ILE 24 HG12 0.0002 -0.0011 0.0005 12073 ILE 24 HG13 0.0005 -0.0010 0.0008 12074 ILE 24 HG21 0.0001 -0.0007 0.0006 12075 ILE 24 HG22 0.0004 -0.0006 0.0009 12076 ILE 24 HG23 0.0004 -0.0011 0.0007 12077 ILE 24 HD11 0.0005 -0.0017 0.0006 12078 ILE 24 HD12 0.0006 -0.0016 0.0007 12079 ILE 24 HD13 0.0008 -0.0016 0.0010 12080 ARG 25 N 0.0033 -0.0005 0.0024 12081 ARG 25 CA 0.0022 -0.0003 0.0008 12082 ARG 25 C 0.0017 -0.0007 0.0027 12083 ARG 25 O 0.0034 -0.0006 0.0031 12084 ARG 25 CB 0.0042 0.0003 -0.0014 12085 ARG 25 CG 0.0044 0.0007 -0.0037 12086 ARG 25 CD 0.0067 0.0012 -0.0055 12087 ARG 25 NE 0.0057 0.0016 -0.0081 12088 ARG 25 CZ 0.0071 0.0021 -0.0104 12089 ARG 25 NH1 0.0095 0.0023 -0.0105 12090 ARG 25 NH2 0.0060 0.0024 -0.0127 12091 ARG 25 H 0.0045 -0.0006 0.0040 12092 ARG 25 HA 0.0003 -0.0003 -0.0001 12093 ARG 25 HB2 0.0062 0.0003 -0.0005 12094 ARG 25 HB3 0.0035 0.0004 -0.0022 12095 ARG 25 HG2 0.0025 0.0007 -0.0048 12096 ARG 25 HG3 0.0048 0.0006 -0.0028 12097 ARG 25 HD2 0.0080 0.0014 -0.0059 12098 ARG 25 HD3 0.0079 0.0012 -0.0046 12099 ARG 25 HE 0.0039 0.0014 -0.0082 12100 ARG 25 HH11 0.0103 0.0021 -0.0087 12101 ARG 25 HH12 0.0105 0.0027 -0.0122 12102 ARG 25 HH21 0.0042 0.0022 -0.0127 12103 ARG 25 HH22 0.0071 0.0028 -0.0144 12104 VAL 26 N -0.0007 -0.0011 0.0039 12105 VAL 26 CA -0.0015 -0.0015 0.0057 12106 VAL 26 C -0.0022 -0.0013 0.0043 12107 VAL 26 O -0.0044 -0.0012 0.0031 12108 VAL 26 CB -0.0039 -0.0020 0.0076 12109 VAL 26 CG1 -0.0029 -0.0023 0.0098 12110 VAL 26 CG2 -0.0061 -0.0019 0.0060 12111 VAL 26 H -0.0021 -0.0011 0.0034 12112 VAL 26 HA 0.0003 -0.0015 0.0070 12113 VAL 26 HB -0.0047 -0.0022 0.0085 12114 VAL 26 HG11 -0.0046 -0.0026 0.0108 12115 VAL 26 HG12 -0.0017 -0.0020 0.0089 12116 VAL 26 HG13 -0.0016 -0.0024 0.0112 12117 VAL 26 HG21 -0.0067 -0.0017 0.0043 12118 VAL 26 HG22 -0.0055 -0.0017 0.0052 12119 VAL 26 HG23 -0.0079 -0.0023 0.0072 12120 TYR 27 N -0.0003 -0.0011 0.0044 12121 TYR 27 CA -0.0006 -0.0009 0.0031 12122 TYR 27 C -0.0022 -0.0014 0.0050 12123 TYR 27 O -0.0017 -0.0018 0.0074 12124 TYR 27 CB 0.0021 -0.0006 0.0025 12125 TYR 27 CG 0.0034 -0.0000 -0.0001 12126 TYR 27 CD1 0.0044 0.0001 -0.0003 12127 TYR 27 CD2 0.0034 0.0004 -0.0024 12128 TYR 27 CE1 0.0056 0.0006 -0.0027 12129 TYR 27 CE2 0.0046 0.0009 -0.0047 12130 TYR 27 CZ 0.0056 0.0010 -0.0049 12131 TYR 27 OH 0.0067 0.0015 -0.0073 12132 TYR 27 H 0.0014 -0.0011 0.0053 12133 TYR 27 HA -0.0018 -0.0007 0.0013 12134 TYR 27 HB2 0.0035 -0.0007 0.0041 12135 TYR 27 HB3 0.0019 -0.0006 0.0024 12136 TYR 27 HD1 0.0044 -0.0002 0.0014 12137 TYR 27 HD2 0.0026 0.0003 -0.0022 12138 TYR 27 HE1 0.0064 0.0007 -0.0029 12139 TYR 27 HE2 0.0046 0.0012 -0.0065 12140 TYR 27 HH 0.0059 0.0017 -0.0088 12141 MET 28 N -0.0042 -0.0014 0.0038 12142 MET 28 CA -0.0058 -0.0018 0.0054 12143 MET 28 C -0.0045 -0.0017 0.0054 12144 MET 28 O -0.0053 -0.0014 0.0037 12145 MET 28 CB -0.0088 -0.0019 0.0043 12146 MET 28 CG -0.0104 -0.0021 0.0050 12147 MET 28 SD -0.0107 -0.0027 0.0085 12148 MET 28 CE -0.0126 -0.0029 0.0085 12149 MET 28 H -0.0046 -0.0011 0.0019 12150 MET 28 HA -0.0058 -0.0021 0.0075 12151 MET 28 HB2 -0.0088 -0.0015 0.0022 12152 MET 28 HB3 -0.0098 -0.0021 0.0052 12153 MET 28 HG2 -0.0095 -0.0019 0.0040 12154 MET 28 HG3 -0.0125 -0.0021 0.0041 12155 MET 28 HE1 -0.0143 -0.0028 0.0072 12156 MET 28 HE2 -0.0114 -0.0027 0.0078 12157 MET 28 HE3 -0.0133 -0.0033 0.0105 12158 GLY 29 N -0.0025 -0.0018 0.0071 12159 GLY 29 CA -0.0010 -0.0017 0.0072 12160 GLY 29 C 0.0011 -0.0011 0.0051 12161 GLY 29 O 0.0019 -0.0008 0.0039 12162 GLY 29 H -0.0020 -0.0019 0.0084 12163 GLY 29 HA2 -0.0001 -0.0019 0.0092 12164 GLY 29 HA3 -0.0025 -0.0017 0.0069 12165 ASP 30 N 0.0020 -0.0009 0.0044 12166 ASP 30 CA 0.0041 -0.0004 0.0024 12167 ASP 30 C 0.0027 -0.0000 -0.0003 12168 ASP 30 O 0.0022 0.0001 -0.0011 12169 ASP 30 CB 0.0060 -0.0003 0.0031 12170 ASP 30 CG 0.0083 0.0002 0.0011 12171 ASP 30 OD1 0.0100 0.0004 0.0010 12172 ASP 30 OD2 0.0084 0.0005 -0.0003 12173 ASP 30 H 0.0013 -0.0011 0.0054 12174 ASP 30 HA 0.0052 -0.0003 0.0022 12175 ASP 30 HB2 0.0068 -0.0006 0.0051 12176 ASP 30 HB3 0.0049 -0.0004 0.0031 12177 SER 31 N -0.0004 -0.0010 -0.0059 12178 SER 31 CA -0.0018 -0.0008 -0.0085 12179 SER 31 C -0.0013 -0.0008 -0.0094 12180 SER 31 O 0.0002 -0.0010 -0.0080 12181 SER 31 CB -0.0049 -0.0004 -0.0082 12182 SER 31 OG -0.0057 -0.0003 -0.0054 12183 SER 31 H 0.0003 -0.0011 -0.0048 12184 SER 31 HA -0.0009 -0.0009 -0.0101 12185 SER 31 HB2 -0.0060 -0.0003 -0.0094 12186 SER 31 HB3 -0.0053 -0.0004 -0.0090 12187 SER 31 HG -0.0042 -0.0005 -0.0043 12188 ASP 32 N -0.0024 -0.0007 -0.0118 12189 ASP 32 CA -0.0021 -0.0007 -0.0129 12190 ASP 32 C -0.0041 -0.0005 -0.0115 12191 ASP 32 O -0.0039 -0.0005 -0.0120 12192 ASP 32 CB -0.0025 -0.0007 -0.0161 12193 ASP 32 CG -0.0055 -0.0003 -0.0169 12194 ASP 32 OD1 -0.0070 -0.0001 -0.0170 12195 ASP 32 OD2 -0.0065 -0.0002 -0.0175 12196 ASP 32 H -0.0035 -0.0006 -0.0129 12197 ASP 32 HA -0.0000 -0.0010 -0.0125 12198 ASP 32 HB2 -0.0014 -0.0008 -0.0169 12199 ASP 32 HB3 -0.0017 -0.0008 -0.0169 12200 VAL 33 N -0.0059 -0.0003 -0.0098 12201 VAL 33 CA -0.0079 -0.0001 -0.0083 12202 VAL 33 C -0.0066 -0.0002 -0.0058 12203 VAL 33 O -0.0055 -0.0004 -0.0039 12204 VAL 33 CB -0.0105 0.0002 -0.0073 12205 VAL 33 CG1 -0.0097 0.0001 -0.0061 12206 VAL 33 CG2 -0.0122 0.0004 -0.0053 12207 VAL 33 H -0.0059 -0.0003 -0.0095 12208 VAL 33 HA -0.0086 0.0000 -0.0098 12209 VAL 33 HB -0.0118 0.0004 -0.0092 12210 VAL 33 HG11 -0.0116 0.0003 -0.0053 12211 VAL 33 HG12 -0.0083 -0.0000 -0.0044 12212 VAL 33 HG13 -0.0088 0.0000 -0.0077 12213 VAL 33 HG21 -0.0127 0.0005 -0.0062 12214 VAL 33 HG22 -0.0110 0.0003 -0.0034 12215 VAL 33 HG23 -0.0140 0.0006 -0.0048 12216 TYR 34 N -0.0066 -0.0002 -0.0059 12217 TYR 34 CA -0.0054 -0.0004 -0.0037 12218 TYR 34 C -0.0066 -0.0003 -0.0039 12219 TYR 34 O -0.0073 -0.0002 -0.0061 12220 TYR 34 CB -0.0022 -0.0008 -0.0040 12221 TYR 34 CG -0.0011 -0.0009 -0.0063 12222 TYR 34 CD1 -0.0010 -0.0009 -0.0090 12223 TYR 34 CD2 -0.0001 -0.0010 -0.0059 12224 TYR 34 CE1 0.0001 -0.0010 -0.0112 12225 TYR 34 CE2 0.0010 -0.0011 -0.0080 12226 TYR 34 CZ 0.0011 -0.0011 -0.0107 12227 TYR 34 OH 0.0021 -0.0012 -0.0128 12228 TYR 34 H -0.0074 -0.0001 -0.0075 12229 TYR 34 HA -0.0060 -0.0003 -0.0018 12230 TYR 34 HB2 -0.0014 -0.0009 -0.0020 12231 TYR 34 HB3 -0.0015 -0.0008 -0.0042 12232 TYR 34 HD1 -0.0017 -0.0008 -0.0094 12233 TYR 34 HD2 -0.0002 -0.0010 -0.0038 12234 TYR 34 HE1 0.0002 -0.0010 -0.0133 12235 TYR 34 HE2 0.0017 -0.0012 -0.0076 12236 TYR 34 HH 0.0008 -0.0011 -0.0143 12237 THR 35 N -0.0068 -0.0002 -0.0015 12238 THR 35 CA -0.0078 -0.0001 -0.0013 12239 THR 35 C -0.0055 -0.0004 -0.0007 12240 THR 35 O -0.0039 -0.0006 0.0012 12241 THR 35 CB -0.0101 0.0001 0.0009 12242 THR 35 OG1 -0.0108 0.0002 0.0019 12243 THR 35 CG2 -0.0127 0.0005 -0.0004 12244 THR 35 H -0.0062 -0.0003 0.0003 12245 THR 35 HA -0.0087 0.0000 -0.0034 12246 THR 35 HB -0.0094 0.0000 0.0025 12247 THR 35 HG1 -0.0109 0.0002 0.0004 12248 THR 35 HG21 -0.0121 0.0004 -0.0012 12249 THR 35 HG22 -0.0143 0.0006 0.0012 12250 THR 35 HG23 -0.0134 0.0006 -0.0021 12251 VAL 36 N -0.0053 -0.0004 -0.0023 12252 VAL 36 CA -0.0032 -0.0007 -0.0019 12253 VAL 36 C -0.0042 -0.0005 0.0002 12254 VAL 36 O -0.0057 -0.0004 -0.0005 12255 VAL 36 CB -0.0024 -0.0007 -0.0046 12256 VAL 36 CG1 0.0004 -0.0011 -0.0043 12257 VAL 36 CG2 -0.0023 -0.0007 -0.0070 12258 VAL 36 H -0.0067 -0.0002 -0.0038 12259 VAL 36 HA -0.0014 -0.0009 -0.0011 12260 VAL 36 HB -0.0040 -0.0006 -0.0051 12261 VAL 36 HG11 0.0009 -0.0011 -0.0062 12262 VAL 36 HG12 0.0019 -0.0013 -0.0037 12263 VAL 36 HG13 0.0002 -0.0011 -0.0026 12264 VAL 36 HG21 -0.0043 -0.0005 -0.0076 12265 VAL 36 HG22 -0.0011 -0.0009 -0.0064 12266 VAL 36 HG23 -0.0012 -0.0009 -0.0088 12267 HIS 37 N -0.0010 -0.0008 -0.0002 12268 HIS 37 CA -0.0011 -0.0010 -0.0005 12269 HIS 37 C -0.0012 -0.0007 -0.0007 12270 HIS 37 O -0.0012 -0.0004 -0.0006 12271 HIS 37 CB -0.0010 -0.0012 -0.0004 12272 HIS 37 CG -0.0009 -0.0015 -0.0002 12273 HIS 37 ND1 -0.0009 -0.0017 -0.0003 12274 HIS 37 CD2 -0.0008 -0.0017 0.0001 12275 HIS 37 CE1 -0.0008 -0.0019 -0.0001 12276 HIS 37 NE2 -0.0007 -0.0019 0.0001 12277 HIS 37 H -0.0009 -0.0007 -0.0000 12278 HIS 37 HA -0.0011 -0.0011 -0.0006 12279 HIS 37 HB2 -0.0009 -0.0011 -0.0002 12280 HIS 37 HB3 -0.0011 -0.0013 -0.0006 12281 HIS 37 HD2 -0.0007 -0.0016 0.0002 12282 HIS 37 HE1 -0.0008 -0.0021 -0.0001 12283 HIS 37 HE2 -0.0006 -0.0021 0.0003 12284 HIS 38 N -0.0013 -0.0009 -0.0009 12285 HIS 38 CA -0.0014 -0.0007 -0.0012 12286 HIS 38 C -0.0014 -0.0008 -0.0013 12287 HIS 38 O -0.0014 -0.0011 -0.0013 12288 HIS 38 CB -0.0015 -0.0006 -0.0014 12289 HIS 38 CG -0.0015 -0.0004 -0.0013 12290 HIS 38 ND1 -0.0015 -0.0000 -0.0012 12291 HIS 38 CD2 -0.0015 -0.0005 -0.0013 12292 HIS 38 CE1 -0.0015 0.0001 -0.0012 12293 HIS 38 NE2 -0.0015 -0.0002 -0.0012 12294 HIS 38 H -0.0013 -0.0011 -0.0010 12295 HIS 38 HA -0.0014 -0.0004 -0.0010 12296 HIS 38 HB2 -0.0015 -0.0008 -0.0015 12297 HIS 38 HB3 -0.0016 -0.0004 -0.0016 12298 HIS 38 HD2 -0.0015 -0.0007 -0.0014 12299 HIS 38 HE1 -0.0015 0.0003 -0.0011 12300 HIS 38 HE2 -0.0014 -0.0002 -0.0011 12301 MET 39 N -0.0015 -0.0007 -0.0014 12302 MET 39 CA -0.0016 -0.0008 -0.0016 12303 MET 39 C -0.0017 -0.0006 -0.0019 12304 MET 39 O -0.0017 -0.0003 -0.0019 12305 MET 39 CB -0.0015 -0.0008 -0.0013 12306 MET 39 CG -0.0013 -0.0011 -0.0011 12307 MET 39 SD -0.0013 -0.0013 -0.0011 12308 MET 39 CE -0.0013 -0.0011 -0.0011 12309 MET 39 H -0.0016 -0.0004 -0.0015 12310 MET 39 HA -0.0015 -0.0011 -0.0017 12311 MET 39 HB2 -0.0014 -0.0005 -0.0012 12312 MET 39 HB3 -0.0015 -0.0008 -0.0015 12313 MET 39 HG2 -0.0013 -0.0012 -0.0011 12314 MET 39 HG3 -0.0012 -0.0010 -0.0009 12315 MET 39 HE1 -0.0012 -0.0009 -0.0009 12316 MET 39 HE2 -0.0013 -0.0012 -0.0011 12317 MET 39 HE3 -0.0014 -0.0009 -0.0013 12318 VAL 40 N -0.0018 -0.0008 -0.0021 12319 VAL 40 CA -0.0019 -0.0006 -0.0024 12320 VAL 40 C -0.0019 -0.0005 -0.0023 12321 VAL 40 O -0.0019 -0.0006 -0.0023 12322 VAL 40 CB -0.0020 -0.0009 -0.0027 12323 VAL 40 CG1 -0.0019 -0.0012 -0.0026 12324 VAL 40 CG2 -0.0021 -0.0007 -0.0029 12325 VAL 40 H -0.0017 -0.0010 -0.0021 12326 VAL 40 HA -0.0020 -0.0004 -0.0024 12327 VAL 40 HB -0.0020 -0.0009 -0.0028 12328 VAL 40 HG11 -0.0019 -0.0012 -0.0027 12329 VAL 40 HG12 -0.0018 -0.0012 -0.0023 12330 VAL 40 HG13 -0.0020 -0.0014 -0.0027 12331 VAL 40 HG21 -0.0022 -0.0005 -0.0030 12332 VAL 40 HG22 -0.0021 -0.0007 -0.0029 12333 VAL 40 HG23 -0.0022 -0.0009 -0.0032 12334 TRP 41 N -0.0019 -0.0001 -0.0023 12335 TRP 41 CA -0.0019 0.0001 -0.0022 12336 TRP 41 C -0.0020 0.0001 -0.0025 12337 TRP 41 O -0.0020 0.0001 -0.0024 12338 TRP 41 CB -0.0019 0.0004 -0.0021 12339 TRP 41 CG -0.0019 0.0006 -0.0019 12340 TRP 41 CD1 -0.0019 0.0009 -0.0019 12341 TRP 41 CD2 -0.0017 0.0005 -0.0016 12342 TRP 41 NE1 -0.0018 0.0010 -0.0017 12343 TRP 41 CE2 -0.0017 0.0008 -0.0014 12344 TRP 41 CE3 -0.0016 0.0003 -0.0014 12345 TRP 41 CZ2 -0.0016 0.0008 -0.0011 12346 TRP 41 CZ3 -0.0015 0.0002 -0.0011 12347 TRP 41 CH2 -0.0015 0.0005 -0.0010 12348 TRP 41 H -0.0020 -0.0000 -0.0023 12349 TRP 41 HA -0.0018 -0.0000 -0.0020 12350 TRP 41 HB2 -0.0019 0.0004 -0.0020 12351 TRP 41 HB3 -0.0020 0.0006 -0.0023 12352 TRP 41 HD1 -0.0020 0.0011 -0.0021 12353 TRP 41 HE1 -0.0018 0.0012 -0.0016 12354 TRP 41 HE3 -0.0016 0.0000 -0.0015 12355 TRP 41 HZ2 -0.0015 0.0010 -0.0010 12356 TRP 41 HZ3 -0.0014 0.0000 -0.0010 12357 TRP 41 HH2 -0.0014 0.0005 -0.0007 12358 HIS 42 N -0.0022 0.0001 -0.0028 12359 HIS 42 CA -0.0023 0.0002 -0.0030 12360 HIS 42 C -0.0024 0.0000 -0.0033 12361 HIS 42 O -0.0024 0.0001 -0.0034 12362 HIS 42 CB -0.0023 0.0005 -0.0031 12363 HIS 42 CG -0.0024 0.0006 -0.0032 12364 HIS 42 ND1 -0.0023 0.0007 -0.0031 12365 HIS 42 CD2 -0.0025 0.0005 -0.0035 12366 HIS 42 CE1 -0.0024 0.0007 -0.0033 12367 HIS 42 NE2 -0.0026 0.0006 -0.0036 12368 HIS 42 H -0.0022 0.0002 -0.0028 12369 HIS 42 HA -0.0022 -0.0000 -0.0030 12370 HIS 42 HB2 -0.0023 0.0006 -0.0028 12371 HIS 42 HB3 -0.0024 0.0006 -0.0032 12372 HIS 42 HD2 -0.0026 0.0004 -0.0037 12373 HIS 42 HE1 -0.0024 0.0007 -0.0032 12374 HIS 42 HE2 -0.0026 0.0005 -0.0037 12375 VAL 43 N -0.0056 0.0001 -0.0062 12376 VAL 43 CA -0.0049 0.0000 -0.0061 12377 VAL 43 C -0.0057 0.0001 -0.0073 12378 VAL 43 O -0.0059 0.0001 -0.0089 12379 VAL 43 CB -0.0029 -0.0002 -0.0063 12380 VAL 43 CG1 -0.0024 -0.0003 -0.0079 12381 VAL 43 CG2 -0.0021 -0.0003 -0.0063 12382 VAL 43 H -0.0057 0.0001 -0.0074 12383 VAL 43 HA -0.0051 0.0001 -0.0048 12384 VAL 43 HB -0.0024 -0.0003 -0.0052 12385 VAL 43 HG11 -0.0028 -0.0003 -0.0078 12386 VAL 43 HG12 -0.0011 -0.0005 -0.0081 12387 VAL 43 HG13 -0.0031 -0.0003 -0.0090 12388 VAL 43 HG21 -0.0023 -0.0003 -0.0050 12389 VAL 43 HG22 -0.0028 -0.0003 -0.0073 12390 VAL 43 HG23 -0.0008 -0.0005 -0.0066 12391 GLU 44 N -0.0062 0.0002 -0.0066 12392 GLU 44 CA -0.0070 0.0003 -0.0076 12393 GLU 44 C -0.0058 0.0001 -0.0089 12394 GLU 44 O -0.0045 -0.0001 -0.0084 12395 GLU 44 CB -0.0077 0.0004 -0.0064 12396 GLU 44 CG -0.0091 0.0006 -0.0052 12397 GLU 44 CD -0.0104 0.0008 -0.0046 12398 GLU 44 OE1 -0.0099 0.0008 -0.0038 12399 GLU 44 OE2 -0.0119 0.0010 -0.0051 12400 GLU 44 H -0.0060 0.0002 -0.0054 12401 GLU 44 HA -0.0081 0.0004 -0.0083 12402 GLU 44 HB2 -0.0067 0.0003 -0.0056 12403 GLU 44 HB3 -0.0082 0.0005 -0.0071 12404 GLU 44 HG2 -0.0098 0.0007 -0.0059 12405 GLU 44 HG3 -0.0085 0.0006 -0.0041 12406 ASP 45 N -0.0063 0.0001 -0.0106 12407 ASP 45 CA -0.0052 -0.0001 -0.0120 12408 ASP 45 C -0.0057 -0.0000 -0.0123 12409 ASP 45 O -0.0053 -0.0001 -0.0137 12410 ASP 45 CB -0.0055 -0.0001 -0.0136 12411 ASP 45 CG -0.0074 0.0001 -0.0141 12412 ASP 45 OD1 -0.0084 0.0003 -0.0131 12413 ASP 45 OD2 -0.0079 0.0001 -0.0156 12414 ASP 45 H -0.0074 0.0002 -0.0108 12415 ASP 45 HA -0.0039 -0.0003 -0.0116 12416 ASP 45 HB2 -0.0048 -0.0002 -0.0147 12417 ASP 45 HB3 -0.0050 -0.0002 -0.0134 12418 GLY 46 N -0.0065 0.0001 -0.0111 12419 GLY 46 CA -0.0070 0.0002 -0.0113 12420 GLY 46 C -0.0057 0.0000 -0.0105 12421 GLY 46 O -0.0061 0.0001 -0.0105 12422 GLY 46 H -0.0068 0.0002 -0.0100 12423 GLY 46 HA2 -0.0071 0.0001 -0.0127 12424 GLY 46 HA3 -0.0082 0.0003 -0.0107 12425 GLY 47 N -0.0043 -0.0001 -0.0098 12426 GLY 47 CA -0.0031 -0.0003 -0.0091 12427 GLY 47 C -0.0018 -0.0004 -0.0078 12428 GLY 47 O -0.0003 -0.0006 -0.0080 12429 GLY 47 H -0.0041 -0.0002 -0.0098 12430 GLY 47 HA2 -0.0024 -0.0004 -0.0101 12431 GLY 47 HA3 -0.0038 -0.0002 -0.0084 12432 PRO 48 N -0.0024 -0.0003 -0.0064 12433 PRO 48 CA -0.0012 -0.0004 -0.0051 12434 PRO 48 C 0.0001 -0.0006 -0.0058 12435 PRO 48 O 0.0009 -0.0007 -0.0071 12436 PRO 48 CB -0.0025 -0.0002 -0.0038 12437 PRO 48 CG -0.0041 0.0000 -0.0041 12438 PRO 48 CD -0.0042 -0.0000 -0.0060 12439 PRO 48 HA -0.0005 -0.0005 -0.0044 12440 PRO 48 HB2 -0.0026 -0.0002 -0.0042 12441 PRO 48 HB3 -0.0020 -0.0002 -0.0025 12442 PRO 48 HG2 -0.0052 0.0002 -0.0037 12443 PRO 48 HG3 -0.0040 0.0000 -0.0034 12444 PRO 48 HD2 -0.0047 0.0000 -0.0067 12445 PRO 48 HD3 -0.0050 0.0001 -0.0062 12446 ALA 49 N -0.0010 0.0006 -0.0052 12447 ALA 49 CA -0.0003 0.0005 -0.0054 12448 ALA 49 C -0.0002 0.0007 -0.0069 12449 ALA 49 O 0.0009 0.0006 -0.0074 12450 ALA 49 CB -0.0009 0.0004 -0.0044 12451 ALA 49 H -0.0017 0.0005 -0.0043 12452 ALA 49 HA 0.0008 0.0003 -0.0050 12453 ALA 49 HB1 -0.0001 0.0002 -0.0039 12454 ALA 49 HB2 -0.0016 0.0006 -0.0050 12455 ALA 49 HB3 -0.0016 0.0004 -0.0036 12456 SER 50 N -0.0013 0.0010 -0.0077 12457 SER 50 CA -0.0013 0.0013 -0.0092 12458 SER 50 C -0.0001 0.0012 -0.0101 12459 SER 50 O 0.0008 0.0012 -0.0107 12460 SER 50 CB -0.0027 0.0016 -0.0099 12461 SER 50 OG -0.0036 0.0017 -0.0096 12462 SER 50 H -0.0021 0.0011 -0.0074 12463 SER 50 HA -0.0011 0.0012 -0.0092 12464 SER 50 HB2 -0.0032 0.0016 -0.0094 12465 SER 50 HB3 -0.0026 0.0018 -0.0110 12466 SER 50 HG -0.0031 0.0016 -0.0097 12467 GLU 51 N -0.0001 0.0012 -0.0101 12468 GLU 51 CA 0.0009 0.0012 -0.0109 12469 GLU 51 C 0.0024 0.0009 -0.0104 12470 GLU 51 O 0.0035 0.0009 -0.0112 12471 GLU 51 CB 0.0005 0.0013 -0.0109 12472 GLU 51 CG -0.0008 0.0016 -0.0116 12473 GLU 51 CD -0.0006 0.0018 -0.0132 12474 GLU 51 OE1 -0.0005 0.0020 -0.0140 12475 GLU 51 OE2 -0.0006 0.0019 -0.0137 12476 GLU 51 H -0.0008 0.0013 -0.0096 12477 GLU 51 HA 0.0009 0.0014 -0.0120 12478 GLU 51 HB2 0.0004 0.0011 -0.0098 12479 GLU 51 HB3 0.0014 0.0012 -0.0114 12480 GLU 51 HG2 -0.0016 0.0017 -0.0115 12481 GLU 51 HG3 -0.0013 0.0016 -0.0112 12482 ALA 52 N 0.0025 0.0007 -0.0090 12483 ALA 52 CA 0.0038 0.0003 -0.0084 12484 ALA 52 C 0.0045 0.0003 -0.0089 12485 ALA 52 O 0.0058 0.0001 -0.0088 12486 ALA 52 CB 0.0036 0.0001 -0.0067 12487 ALA 52 H 0.0016 0.0007 -0.0085 12488 ALA 52 HA 0.0045 0.0003 -0.0086 12489 ALA 52 HB1 0.0033 0.0001 -0.0064 12490 ALA 52 HB2 0.0045 -0.0001 -0.0062 12491 ALA 52 HB3 0.0027 0.0002 -0.0065 12492 GLY 53 N 0.0036 0.0005 -0.0094 12493 GLY 53 CA 0.0041 0.0005 -0.0099 12494 GLY 53 C 0.0033 0.0006 -0.0093 12495 GLY 53 O 0.0036 0.0006 -0.0097 12496 GLY 53 H 0.0026 0.0007 -0.0094 12497 GLY 53 HA2 0.0040 0.0008 -0.0111 12498 GLY 53 HA3 0.0052 0.0003 -0.0097 12499 LEU 54 N 0.0024 0.0005 -0.0083 12500 LEU 54 CA 0.0015 0.0006 -0.0076 12501 LEU 54 C 0.0004 0.0009 -0.0086 12502 LEU 54 O -0.0006 0.0011 -0.0090 12503 LEU 54 CB 0.0008 0.0005 -0.0062 12504 LEU 54 CG 0.0003 0.0003 -0.0052 12505 LEU 54 CD1 -0.0001 0.0002 -0.0037 12506 LEU 54 CD2 -0.0009 0.0006 -0.0057 12507 LEU 54 H 0.0022 0.0005 -0.0079 12508 LEU 54 HA 0.0022 0.0004 -0.0073 12509 LEU 54 HB2 0.0015 0.0002 -0.0057 12510 LEU 54 HB3 -0.0001 0.0006 -0.0065 12511 LEU 54 HG 0.0012 0.0002 -0.0050 12512 LEU 54 HD11 0.0008 -0.0000 -0.0033 12513 LEU 54 HD12 -0.0003 0.0001 -0.0030 12514 LEU 54 HD13 -0.0010 0.0003 -0.0038 12515 LEU 54 HD21 -0.0013 0.0006 -0.0049 12516 LEU 54 HD22 -0.0006 0.0007 -0.0067 12517 LEU 54 HD23 -0.0018 0.0008 -0.0060 12518 ARG 55 N 0.0001 0.0010 -0.0039 12519 ARG 55 CA -0.0001 0.0011 -0.0040 12520 ARG 55 C -0.0003 0.0012 -0.0038 12521 ARG 55 O -0.0003 0.0011 -0.0036 12522 ARG 55 CB 0.0000 0.0011 -0.0042 12523 ARG 55 CG 0.0002 0.0010 -0.0040 12524 ARG 55 CD 0.0000 0.0010 -0.0039 12525 ARG 55 NE -0.0000 0.0011 -0.0041 12526 ARG 55 CZ -0.0001 0.0012 -0.0041 12527 ARG 55 NH1 -0.0002 0.0012 -0.0039 12528 ARG 55 NH2 -0.0001 0.0012 -0.0043 12529 ARG 55 H 0.0002 0.0010 -0.0038 12530 ARG 55 HA -0.0002 0.0012 -0.0042 12531 ARG 55 HB2 -0.0001 0.0012 -0.0042 12532 ARG 55 HB3 0.0001 0.0011 -0.0043 12533 ARG 55 HG2 0.0003 0.0009 -0.0041 12534 ARG 55 HG3 0.0002 0.0010 -0.0038 12535 ARG 55 HD2 0.0001 0.0010 -0.0038 12536 ARG 55 HD3 -0.0001 0.0011 -0.0038 12537 ARG 55 HE 0.0001 0.0011 -0.0043 12538 ARG 55 HH11 -0.0002 0.0011 -0.0037 12539 ARG 55 HH12 -0.0003 0.0012 -0.0039 12540 ARG 55 HH21 -0.0001 0.0012 -0.0045 12541 ARG 55 HH22 -0.0002 0.0012 -0.0043 12542 GLN 56 N -0.0005 0.0013 -0.0039 12543 GLN 56 CA -0.0007 0.0014 -0.0037 12544 GLN 56 C -0.0007 0.0013 -0.0037 12545 GLN 56 O -0.0007 0.0013 -0.0038 12546 GLN 56 CB -0.0010 0.0015 -0.0039 12547 GLN 56 CG -0.0012 0.0015 -0.0037 12548 GLN 56 CD -0.0014 0.0017 -0.0038 12549 GLN 56 OE1 -0.0014 0.0017 -0.0039 12550 GLN 56 NE2 -0.0016 0.0017 -0.0037 12551 GLN 56 H -0.0006 0.0013 -0.0040 12552 GLN 56 HA -0.0007 0.0013 -0.0036 12553 GLN 56 HB2 -0.0010 0.0015 -0.0039 12554 GLN 56 HB3 -0.0010 0.0015 -0.0040 12555 GLN 56 HG2 -0.0012 0.0016 -0.0037 12556 GLN 56 HG3 -0.0012 0.0015 -0.0035 12557 GLN 56 HE21 -0.0016 0.0017 -0.0037 12558 GLN 56 HE22 -0.0017 0.0018 -0.0038 12559 GLY 57 N -0.0008 0.0013 -0.0034 12560 GLY 57 CA -0.0007 0.0013 -0.0033 12561 GLY 57 C -0.0005 0.0012 -0.0033 12562 GLY 57 O -0.0004 0.0011 -0.0034 12563 GLY 57 H -0.0008 0.0013 -0.0033 12564 GLY 57 HA2 -0.0009 0.0013 -0.0032 12565 GLY 57 HA3 -0.0008 0.0013 -0.0035 12566 ASP 58 N -0.0004 0.0011 -0.0031 12567 ASP 58 CA -0.0002 0.0010 -0.0030 12568 ASP 58 C -0.0002 0.0009 -0.0027 12569 ASP 58 O -0.0003 0.0010 -0.0026 12570 ASP 58 CB 0.0000 0.0009 -0.0031 12571 ASP 58 CG 0.0003 0.0008 -0.0032 12572 ASP 58 OD1 0.0003 0.0008 -0.0031 12573 ASP 58 OD2 0.0004 0.0008 -0.0034 12574 ASP 58 H -0.0005 0.0011 -0.0030 12575 ASP 58 HA -0.0001 0.0010 -0.0031 12576 ASP 58 HB2 -0.0001 0.0010 -0.0033 12577 ASP 58 HB3 0.0000 0.0009 -0.0030 12578 LEU 59 N 0.0000 0.0008 -0.0026 12579 LEU 59 CA 0.0000 0.0008 -0.0023 12580 LEU 59 C 0.0002 0.0007 -0.0023 12581 LEU 59 O 0.0004 0.0006 -0.0024 12582 LEU 59 CB 0.0001 0.0007 -0.0022 12583 LEU 59 CG 0.0002 0.0006 -0.0020 12584 LEU 59 CD1 -0.0000 0.0007 -0.0018 12585 LEU 59 CD2 0.0003 0.0006 -0.0019 12586 LEU 59 H 0.0001 0.0008 -0.0027 12587 LEU 59 HA -0.0001 0.0008 -0.0022 12588 LEU 59 HB2 -0.0001 0.0008 -0.0023 12589 LEU 59 HB3 0.0002 0.0007 -0.0024 12590 LEU 59 HG 0.0003 0.0006 -0.0019 12591 LEU 59 HD11 -0.0001 0.0008 -0.0018 12592 LEU 59 HD12 0.0000 0.0006 -0.0016 12593 LEU 59 HD13 -0.0001 0.0008 -0.0018 12594 LEU 59 HD21 0.0002 0.0006 -0.0020 12595 LEU 59 HD22 0.0004 0.0005 -0.0017 12596 LEU 59 HD23 0.0005 0.0005 -0.0021 12597 ILE 60 N 0.0002 0.0007 -0.0021 12598 ILE 60 CA 0.0003 0.0006 -0.0020 12599 ILE 60 C 0.0005 0.0005 -0.0018 12600 ILE 60 O 0.0004 0.0005 -0.0016 12601 ILE 60 CB 0.0002 0.0006 -0.0019 12602 ILE 60 CG1 0.0001 0.0007 -0.0021 12603 ILE 60 CG2 0.0004 0.0005 -0.0018 12604 ILE 60 CD1 -0.0002 0.0008 -0.0022 12605 ILE 60 H -0.0000 0.0007 -0.0020 12606 ILE 60 HA 0.0004 0.0006 -0.0022 12607 ILE 60 HB 0.0001 0.0007 -0.0018 12608 ILE 60 HG12 0.0000 0.0007 -0.0021 12609 ILE 60 HG13 0.0002 0.0007 -0.0023 12610 ILE 60 HG21 0.0003 0.0006 -0.0017 12611 ILE 60 HG22 0.0005 0.0005 -0.0019 12612 ILE 60 HG23 0.0004 0.0005 -0.0016 12613 ILE 60 HD11 -0.0003 0.0009 -0.0020 12614 ILE 60 HD12 -0.0001 0.0008 -0.0023 12615 ILE 60 HD13 -0.0003 0.0009 -0.0023 12616 THR 61 N -0.0001 0.0026 -0.0034 12617 THR 61 CA -0.0001 0.0027 -0.0035 12618 THR 61 C 0.0004 0.0023 -0.0027 12619 THR 61 O 0.0002 0.0018 -0.0026 12620 THR 61 CB 0.0002 0.0037 -0.0039 12621 THR 61 OG1 0.0010 0.0042 -0.0035 12622 THR 61 CG2 -0.0003 0.0041 -0.0047 12623 THR 61 H 0.0004 0.0030 -0.0032 12624 THR 61 HA -0.0007 0.0023 -0.0038 12625 THR 61 HB 0.0001 0.0037 -0.0040 12626 THR 61 HG1 0.0013 0.0041 -0.0031 12627 THR 61 HG21 -0.0002 0.0041 -0.0046 12628 THR 61 HG22 -0.0010 0.0037 -0.0050 12629 THR 61 HG23 -0.0002 0.0048 -0.0050 12630 HIS 62 N 0.0011 0.0024 -0.0021 12631 HIS 62 CA 0.0017 0.0021 -0.0014 12632 HIS 62 C 0.0020 0.0017 -0.0008 12633 HIS 62 O 0.0020 0.0019 -0.0009 12634 HIS 62 CB 0.0024 0.0028 -0.0013 12635 HIS 62 CG 0.0021 0.0033 -0.0018 12636 HIS 62 ND1 0.0021 0.0041 -0.0024 12637 HIS 62 CD2 0.0019 0.0030 -0.0018 12638 HIS 62 CE1 0.0018 0.0043 -0.0028 12639 HIS 62 NE2 0.0017 0.0036 -0.0024 12640 HIS 62 H 0.0012 0.0027 -0.0023 12641 HIS 62 HA 0.0014 0.0015 -0.0013 12642 HIS 62 HB2 0.0027 0.0033 -0.0013 12643 HIS 62 HB3 0.0028 0.0025 -0.0007 12644 HIS 62 HD2 0.0018 0.0023 -0.0014 12645 HIS 62 HE1 0.0017 0.0049 -0.0033 12646 HIS 62 HE2 0.0014 0.0035 -0.0026 12647 VAL 63 N 0.0023 0.0011 -0.0001 12648 VAL 63 CA 0.0027 0.0007 0.0005 12649 VAL 63 C 0.0034 0.0006 0.0013 12650 VAL 63 O 0.0034 0.0001 0.0015 12651 VAL 63 CB 0.0021 -0.0003 0.0006 12652 VAL 63 CG1 0.0018 -0.0009 0.0007 12653 VAL 63 CG2 0.0025 -0.0007 0.0013 12654 VAL 63 H 0.0022 0.0009 -0.0000 12655 VAL 63 HA 0.0029 0.0011 0.0004 12656 VAL 63 HB 0.0016 -0.0002 0.0001 12657 VAL 63 HG11 0.0014 -0.0006 0.0002 12658 VAL 63 HG12 0.0013 -0.0016 0.0008 12659 VAL 63 HG13 0.0022 -0.0010 0.0012 12660 VAL 63 HG21 0.0023 -0.0014 0.0015 12661 VAL 63 HG22 0.0024 -0.0005 0.0010 12662 VAL 63 HG23 0.0032 -0.0004 0.0017 12663 ASN 64 N 0.0041 0.0011 0.0016 12664 ASN 64 CA 0.0049 0.0011 0.0023 12665 ASN 64 C 0.0050 0.0013 0.0022 12666 ASN 64 O 0.0053 0.0010 0.0027 12667 ASN 64 CB 0.0049 0.0002 0.0029 12668 ASN 64 CG 0.0057 0.0003 0.0036 12669 ASN 64 OD1 0.0060 0.0009 0.0035 12670 ASN 64 ND2 0.0060 -0.0003 0.0043 12671 ASN 64 H 0.0041 0.0015 0.0013 12672 ASN 64 HA 0.0053 0.0016 0.0024 12673 ASN 64 HB2 0.0044 -0.0002 0.0027 12674 ASN 64 HB3 0.0049 -0.0001 0.0031 12675 ASN 64 HD21 0.0058 -0.0007 0.0043 12676 ASN 64 HD22 0.0065 -0.0002 0.0047 12677 GLY 65 N 0.0046 0.0019 0.0015 12678 GLY 65 CA 0.0047 0.0022 0.0014 12679 GLY 65 C 0.0041 0.0014 0.0013 12680 GLY 65 O 0.0043 0.0012 0.0016 12681 GLY 65 H 0.0044 0.0021 0.0011 12682 GLY 65 HA2 0.0045 0.0028 0.0008 12683 GLY 65 HA3 0.0053 0.0023 0.0018 12684 GLU 66 N 0.0034 0.0010 0.0009 12685 GLU 66 CA 0.0028 0.0003 0.0008 12686 GLU 66 C 0.0019 0.0003 0.0001 12687 GLU 66 O 0.0017 0.0000 -0.0000 12688 GLU 66 CB 0.0028 -0.0006 0.0015 12689 GLU 66 CG 0.0025 -0.0013 0.0017 12690 GLU 66 CD 0.0031 -0.0011 0.0021 12691 GLU 66 OE1 0.0030 -0.0006 0.0016 12692 GLU 66 OE2 0.0036 -0.0014 0.0028 12693 GLU 66 H 0.0033 0.0011 0.0007 12694 GLU 66 HA 0.0029 0.0004 0.0009 12695 GLU 66 HB2 0.0034 -0.0005 0.0020 12696 GLU 66 HB3 0.0024 -0.0009 0.0013 12697 GLU 66 HG2 0.0025 -0.0020 0.0021 12698 GLU 66 HG3 0.0019 -0.0014 0.0012 12699 PRO 67 N 0.0001 0.0006 -0.0009 12700 PRO 67 CA -0.0002 0.0006 -0.0010 12701 PRO 67 C -0.0003 0.0004 -0.0010 12702 PRO 67 O -0.0003 0.0001 -0.0010 12703 PRO 67 CB -0.0004 0.0006 -0.0011 12704 PRO 67 CG -0.0002 0.0005 -0.0010 12705 PRO 67 CD 0.0001 0.0006 -0.0009 12706 PRO 67 HA -0.0002 0.0009 -0.0011 12707 PRO 67 HB2 -0.0006 0.0004 -0.0012 12708 PRO 67 HB3 -0.0006 0.0008 -0.0012 12709 PRO 67 HG2 -0.0003 0.0002 -0.0010 12710 PRO 67 HG3 -0.0003 0.0007 -0.0011 12711 PRO 67 HD2 0.0003 0.0004 -0.0008 12712 PRO 67 HD3 0.0002 0.0008 -0.0009 12713 VAL 68 N -0.0004 0.0005 -0.0011 12714 VAL 68 CA -0.0004 0.0003 -0.0011 12715 VAL 68 C -0.0008 0.0002 -0.0012 12716 VAL 68 O -0.0009 0.0000 -0.0012 12717 VAL 68 CB -0.0004 0.0006 -0.0011 12718 VAL 68 CG1 -0.0000 0.0006 -0.0009 12719 VAL 68 CG2 -0.0006 0.0009 -0.0012 12720 VAL 68 H -0.0004 0.0008 -0.0011 12721 VAL 68 HA -0.0003 0.0001 -0.0010 12722 VAL 68 HB -0.0004 0.0004 -0.0011 12723 VAL 68 HG11 0.0001 0.0008 -0.0009 12724 VAL 68 HG12 0.0001 0.0004 -0.0009 12725 VAL 68 HG13 0.0000 0.0008 -0.0009 12726 VAL 68 HG21 -0.0005 0.0011 -0.0012 12727 VAL 68 HG22 -0.0005 0.0010 -0.0012 12728 VAL 68 HG23 -0.0008 0.0008 -0.0013 12729 HIS 69 N -0.0010 0.0004 -0.0013 12730 HIS 69 CA -0.0013 0.0003 -0.0014 12731 HIS 69 C -0.0014 -0.0000 -0.0014 12732 HIS 69 O -0.0014 -0.0002 -0.0014 12733 HIS 69 CB -0.0014 0.0005 -0.0015 12734 HIS 69 CG -0.0014 0.0009 -0.0015 12735 HIS 69 ND1 -0.0016 0.0011 -0.0016 12736 HIS 69 CD2 -0.0012 0.0011 -0.0015 12737 HIS 69 CE1 -0.0015 0.0015 -0.0017 12738 HIS 69 NE2 -0.0013 0.0015 -0.0016 12739 HIS 69 H -0.0008 0.0005 -0.0013 12740 HIS 69 HA -0.0014 0.0005 -0.0015 12741 HIS 69 HB2 -0.0012 0.0005 -0.0014 12742 HIS 69 HB3 -0.0016 0.0005 -0.0016 12743 HIS 69 HD2 -0.0010 0.0011 -0.0014 12744 HIS 69 HE1 -0.0016 0.0017 -0.0017 12745 HIS 69 HE2 -0.0013 0.0017 -0.0016 12746 GLY 70 N -0.0015 -0.0002 -0.0015 12747 GLY 70 CA -0.0016 -0.0006 -0.0015 12748 GLY 70 C -0.0014 -0.0008 -0.0013 12749 GLY 70 O -0.0015 -0.0011 -0.0013 12750 GLY 70 H -0.0016 -0.0001 -0.0015 12751 GLY 70 HA2 -0.0019 -0.0006 -0.0015 12752 GLY 70 HA3 -0.0016 -0.0007 -0.0014 12753 LEU 71 N -0.0011 -0.0007 -0.0012 12754 LEU 71 CA -0.0009 -0.0009 -0.0011 12755 LEU 71 C -0.0010 -0.0009 -0.0012 12756 LEU 71 O -0.0012 -0.0007 -0.0012 12757 LEU 71 CB -0.0006 -0.0007 -0.0010 12758 LEU 71 CG -0.0004 -0.0006 -0.0009 12759 LEU 71 CD1 -0.0000 -0.0005 -0.0008 12760 LEU 71 CD2 -0.0004 -0.0010 -0.0009 12761 LEU 71 H -0.0011 -0.0004 -0.0012 12762 LEU 71 HA -0.0009 -0.0011 -0.0011 12763 LEU 71 HB2 -0.0006 -0.0004 -0.0010 12764 LEU 71 HB3 -0.0004 -0.0008 -0.0009 12765 LEU 71 HG -0.0005 -0.0004 -0.0010 12766 LEU 71 HD11 -0.0000 -0.0003 -0.0008 12767 LEU 71 HD12 0.0001 -0.0005 -0.0008 12768 LEU 71 HD13 0.0001 -0.0007 -0.0007 12769 LEU 71 HD21 -0.0007 -0.0010 -0.0010 12770 LEU 71 HD22 -0.0004 -0.0012 -0.0009 12771 LEU 71 HD23 -0.0003 -0.0009 -0.0008 12772 VAL 72 N -0.0010 -0.0012 -0.0011 12773 VAL 72 CA -0.0011 -0.0013 -0.0011 12774 VAL 72 C -0.0008 -0.0011 -0.0011 12775 VAL 72 O -0.0006 -0.0010 -0.0010 12776 VAL 72 CB -0.0012 -0.0017 -0.0011 12777 VAL 72 CG1 -0.0009 -0.0019 -0.0010 12778 VAL 72 CG2 -0.0015 -0.0018 -0.0012 12779 VAL 72 H -0.0009 -0.0014 -0.0010 12780 VAL 72 HA -0.0013 -0.0012 -0.0012 12781 VAL 72 HB -0.0012 -0.0018 -0.0011 12782 VAL 72 HG11 -0.0009 -0.0021 -0.0009 12783 VAL 72 HG12 -0.0009 -0.0018 -0.0010 12784 VAL 72 HG13 -0.0006 -0.0017 -0.0009 12785 VAL 72 HG21 -0.0015 -0.0020 -0.0012 12786 VAL 72 HG22 -0.0017 -0.0016 -0.0013 12787 VAL 72 HG23 -0.0014 -0.0017 -0.0012 12788 HIS 73 N -0.0018 -0.0016 0.0003 12789 HIS 73 CA -0.0018 -0.0016 0.0002 12790 HIS 73 C -0.0015 -0.0016 0.0006 12791 HIS 73 O -0.0013 -0.0014 0.0006 12792 HIS 73 CB -0.0022 -0.0018 0.0002 12793 HIS 73 CG -0.0022 -0.0018 0.0000 12794 HIS 73 ND1 -0.0023 -0.0016 -0.0003 12795 HIS 73 CD2 -0.0023 -0.0019 0.0002 12796 HIS 73 CE1 -0.0023 -0.0016 -0.0004 12797 HIS 73 NE2 -0.0024 -0.0018 -0.0000 12798 HIS 73 H -0.0020 -0.0017 0.0002 12799 HIS 73 HA -0.0017 -0.0014 -0.0000 12800 HIS 73 HB2 -0.0023 -0.0018 -0.0000 12801 HIS 73 HB3 -0.0022 -0.0020 0.0004 12802 HIS 73 HD1 -0.0022 -0.0014 -0.0005 12803 HIS 73 HD2 -0.0023 -0.0021 0.0005 12804 HIS 73 HE1 -0.0024 -0.0015 -0.0006 12805 THR 74 N -0.0016 -0.0018 0.0009 12806 THR 74 CA -0.0014 -0.0019 0.0013 12807 THR 74 C -0.0010 -0.0017 0.0014 12808 THR 74 O -0.0008 -0.0017 0.0017 12809 THR 74 CB -0.0016 -0.0023 0.0016 12810 THR 74 OG1 -0.0016 -0.0023 0.0017 12811 THR 74 CG2 -0.0020 -0.0024 0.0014 12812 THR 74 H -0.0018 -0.0020 0.0009 12813 THR 74 HA -0.0014 -0.0019 0.0012 12814 THR 74 HB -0.0015 -0.0023 0.0018 12815 THR 74 HG1 -0.0014 -0.0023 0.0019 12816 THR 74 HG21 -0.0021 -0.0024 0.0014 12817 THR 74 HG22 -0.0022 -0.0026 0.0016 12818 THR 74 HG23 -0.0021 -0.0023 0.0011 12819 GLU 75 N -0.0009 -0.0016 0.0013 12820 GLU 75 CA -0.0006 -0.0014 0.0014 12821 GLU 75 C -0.0003 -0.0012 0.0013 12822 GLU 75 O -0.0000 -0.0011 0.0015 12823 GLU 75 CB -0.0006 -0.0014 0.0013 12824 GLU 75 CG -0.0007 -0.0016 0.0016 12825 GLU 75 CD -0.0006 -0.0015 0.0015 12826 GLU 75 OE1 -0.0008 -0.0014 0.0012 12827 GLU 75 OE2 -0.0004 -0.0015 0.0018 12828 GLU 75 H -0.0011 -0.0016 0.0011 12829 GLU 75 HA -0.0005 -0.0016 0.0018 12830 GLU 75 HB2 -0.0007 -0.0013 0.0010 12831 GLU 75 HB3 -0.0003 -0.0012 0.0013 12832 GLU 75 HG2 -0.0006 -0.0017 0.0019 12833 GLU 75 HG3 -0.0010 -0.0018 0.0015 12834 VAL 76 N -0.0004 -0.0010 0.0009 12835 VAL 76 CA -0.0002 -0.0008 0.0008 12836 VAL 76 C -0.0001 -0.0008 0.0010 12837 VAL 76 O 0.0002 -0.0007 0.0011 12838 VAL 76 CB -0.0003 -0.0006 0.0004 12839 VAL 76 CG1 -0.0003 -0.0005 0.0002 12840 VAL 76 CG2 -0.0007 -0.0008 0.0002 12841 VAL 76 H -0.0007 -0.0011 0.0008 12842 VAL 76 HA 0.0001 -0.0006 0.0009 12843 VAL 76 HB -0.0001 -0.0004 0.0003 12844 VAL 76 HG11 -0.0004 -0.0006 0.0002 12845 VAL 76 HG12 0.0000 -0.0003 0.0002 12846 VAL 76 HG13 -0.0004 -0.0003 -0.0002 12847 VAL 76 HG21 -0.0008 -0.0010 0.0004 12848 VAL 76 HG22 -0.0009 -0.0008 -0.0000 12849 VAL 76 HG23 -0.0007 -0.0008 0.0002 12850 VAL 77 N -0.0004 -0.0011 0.0010 12851 VAL 77 CA -0.0004 -0.0012 0.0012 12852 VAL 77 C -0.0002 -0.0012 0.0016 12853 VAL 77 O 0.0001 -0.0012 0.0017 12854 VAL 77 CB -0.0008 -0.0015 0.0012 12855 VAL 77 CG1 -0.0008 -0.0016 0.0014 12856 VAL 77 CG2 -0.0011 -0.0014 0.0008 12857 VAL 77 H -0.0007 -0.0012 0.0009 12858 VAL 77 HA -0.0003 -0.0010 0.0011 12859 VAL 77 HB -0.0009 -0.0016 0.0014 12860 VAL 77 HG11 -0.0006 -0.0016 0.0017 12861 VAL 77 HG12 -0.0011 -0.0018 0.0015 12862 VAL 77 HG13 -0.0008 -0.0014 0.0012 12863 VAL 77 HG21 -0.0011 -0.0014 0.0007 12864 VAL 77 HG22 -0.0010 -0.0013 0.0007 12865 VAL 77 HG23 -0.0014 -0.0016 0.0009 12866 GLU 78 N -0.0002 -0.0014 0.0018 12867 GLU 78 CA 0.0001 -0.0014 0.0022 12868 GLU 78 C 0.0004 -0.0012 0.0022 12869 GLU 78 O 0.0007 -0.0011 0.0025 12870 GLU 78 CB -0.0001 -0.0016 0.0024 12871 GLU 78 CG -0.0004 -0.0020 0.0026 12872 GLU 78 CD -0.0004 -0.0022 0.0028 12873 GLU 78 OE1 -0.0006 -0.0022 0.0027 12874 GLU 78 OE2 -0.0004 -0.0023 0.0032 12875 GLU 78 H -0.0004 -0.0014 0.0017 12876 GLU 78 HA 0.0000 -0.0016 0.0024 12877 GLU 78 HB2 -0.0002 -0.0016 0.0022 12878 GLU 78 HB3 0.0001 -0.0016 0.0026 12879 GLU 78 HG2 -0.0003 -0.0020 0.0027 12880 GLU 78 HG3 -0.0006 -0.0020 0.0023 12881 LEU 79 N 0.0006 -0.0024 0.0038 12882 LEU 79 CA 0.0015 -0.0016 0.0037 12883 LEU 79 C 0.0019 -0.0013 0.0038 12884 LEU 79 O 0.0027 -0.0008 0.0043 12885 LEU 79 CB 0.0014 -0.0011 0.0027 12886 LEU 79 CG 0.0020 -0.0006 0.0028 12887 LEU 79 CD1 0.0030 -0.0001 0.0034 12888 LEU 79 CD2 0.0017 -0.0012 0.0033 12889 LEU 79 H 0.0001 -0.0026 0.0033 12890 LEU 79 HA 0.0019 -0.0016 0.0044 12891 LEU 79 HB2 0.0008 -0.0015 0.0024 12892 LEU 79 HB3 0.0016 -0.0007 0.0022 12893 LEU 79 HG 0.0020 -0.0002 0.0020 12894 LEU 79 HD11 0.0032 0.0003 0.0031 12895 LEU 79 HD12 0.0034 0.0003 0.0034 12896 LEU 79 HD13 0.0030 -0.0005 0.0042 12897 LEU 79 HD21 0.0010 -0.0016 0.0030 12898 LEU 79 HD22 0.0019 -0.0015 0.0041 12899 LEU 79 HD23 0.0020 -0.0008 0.0032 12900 ILE 80 N 0.0014 -0.0014 0.0033 12901 ILE 80 CA 0.0017 -0.0011 0.0033 12902 ILE 80 C 0.0019 -0.0016 0.0043 12903 ILE 80 O 0.0027 -0.0012 0.0048 12904 ILE 80 CB 0.0011 -0.0013 0.0025 12905 ILE 80 CG1 0.0011 -0.0007 0.0014 12906 ILE 80 CG2 0.0012 -0.0012 0.0026 12907 ILE 80 CD1 0.0002 -0.0010 0.0006 12908 ILE 80 H 0.0008 -0.0018 0.0029 12909 ILE 80 HA 0.0023 -0.0005 0.0031 12910 ILE 80 HB 0.0004 -0.0019 0.0025 12911 ILE 80 HG12 0.0015 -0.0001 0.0012 12912 ILE 80 HG13 0.0012 -0.0005 0.0014 12913 ILE 80 HG21 0.0019 -0.0007 0.0028 12914 ILE 80 HG22 0.0011 -0.0017 0.0033 12915 ILE 80 HG23 0.0009 -0.0012 0.0020 12916 ILE 80 HD11 0.0002 -0.0005 -0.0001 12917 ILE 80 HD12 0.0000 -0.0011 0.0005 12918 ILE 80 HD13 -0.0003 -0.0015 0.0008 12919 LEU 81 N 0.0013 -0.0024 0.0048 12920 LEU 81 CA 0.0014 -0.0029 0.0058 12921 LEU 81 C 0.0022 -0.0026 0.0066 12922 LEU 81 O 0.0026 -0.0027 0.0073 12923 LEU 81 CB 0.0006 -0.0038 0.0060 12924 LEU 81 CG -0.0003 -0.0041 0.0053 12925 LEU 81 CD1 -0.0011 -0.0050 0.0056 12926 LEU 81 CD2 -0.0002 -0.0041 0.0054 12927 LEU 81 H 0.0007 -0.0027 0.0044 12928 LEU 81 HA 0.0015 -0.0027 0.0057 12929 LEU 81 HB2 0.0004 -0.0039 0.0060 12930 LEU 81 HB3 0.0007 -0.0041 0.0068 12931 LEU 81 HG -0.0003 -0.0037 0.0045 12932 LEU 81 HD11 -0.0012 -0.0050 0.0054 12933 LEU 81 HD12 -0.0016 -0.0052 0.0051 12934 LEU 81 HD13 -0.0010 -0.0053 0.0064 12935 LEU 81 HD21 0.0000 -0.0044 0.0062 12936 LEU 81 HD22 -0.0008 -0.0043 0.0050 12937 LEU 81 HD23 0.0004 -0.0034 0.0051 12938 LYS 82 N 0.0023 -0.0024 0.0064 12939 LYS 82 CA 0.0031 -0.0022 0.0071 12940 LYS 82 C 0.0039 -0.0014 0.0072 12941 LYS 82 O 0.0045 -0.0014 0.0081 12942 LYS 82 CB 0.0030 -0.0019 0.0067 12943 LYS 82 CG 0.0035 -0.0019 0.0075 12944 LYS 82 CD 0.0039 -0.0014 0.0070 12945 LYS 82 CE 0.0031 -0.0017 0.0064 12946 LYS 82 NZ 0.0034 -0.0011 0.0059 12947 LYS 82 H 0.0019 -0.0024 0.0058 12948 LYS 82 HA 0.0030 -0.0027 0.0078 12949 LYS 82 HB2 0.0024 -0.0024 0.0064 12950 LYS 82 HB3 0.0033 -0.0013 0.0061 12951 LYS 82 HG2 0.0041 -0.0018 0.0080 12952 LYS 82 HG3 0.0031 -0.0025 0.0079 12953 LYS 82 HD2 0.0042 -0.0008 0.0065 12954 LYS 82 HD3 0.0043 -0.0013 0.0076 12955 LYS 82 HE2 0.0028 -0.0023 0.0069 12956 LYS 82 HE3 0.0027 -0.0017 0.0058 12957 LYS 82 HZ1 0.0039 -0.0010 0.0065 12958 LYS 82 HZ2 0.0037 -0.0006 0.0054 12959 LYS 82 HZ3 0.0029 -0.0014 0.0055 12960 SER 83 N 0.0040 -0.0009 0.0064 12961 SER 83 CA 0.0048 -0.0002 0.0064 12962 SER 83 C 0.0051 -0.0004 0.0071 12963 SER 83 O 0.0058 -0.0001 0.0078 12964 SER 83 CB 0.0047 0.0004 0.0053 12965 SER 83 OG 0.0055 0.0011 0.0053 12966 SER 83 H 0.0035 -0.0009 0.0057 12967 SER 83 HA 0.0054 0.0002 0.0066 12968 SER 83 HB2 0.0045 0.0005 0.0048 12969 SER 83 HB3 0.0042 0.0001 0.0051 12970 SER 83 HG 0.0055 0.0012 0.0051 12971 GLY 84 N 0.0045 -0.0009 0.0070 12972 GLY 84 CA 0.0046 -0.0011 0.0077 12973 GLY 84 C 0.0044 -0.0011 0.0072 12974 GLY 84 O 0.0036 -0.0014 0.0066 12975 GLY 84 H 0.0039 -0.0010 0.0065 12976 GLY 84 HA2 0.0043 -0.0017 0.0083 12977 GLY 84 HA3 0.0053 -0.0007 0.0082 12978 ASN 85 N 0.0058 -0.0029 0.0080 12979 ASN 85 CA 0.0056 -0.0026 0.0075 12980 ASN 85 C 0.0055 -0.0019 0.0063 12981 ASN 85 O 0.0054 -0.0016 0.0058 12982 ASN 85 CB 0.0065 -0.0024 0.0081 12983 ASN 85 CG 0.0076 -0.0016 0.0081 12984 ASN 85 OD1 0.0079 -0.0008 0.0073 12985 ASN 85 ND2 0.0081 -0.0018 0.0088 12986 ASN 85 H 0.0064 -0.0027 0.0085 12987 ASN 85 HA 0.0049 -0.0032 0.0075 12988 ASN 85 HB2 0.0064 -0.0022 0.0077 12989 ASN 85 HB3 0.0066 -0.0029 0.0089 12990 ASN 85 HD21 0.0078 -0.0024 0.0094 12991 ASN 85 HD22 0.0088 -0.0013 0.0089 12992 LYS 86 N 0.0056 -0.0015 0.0060 12993 LYS 86 CA 0.0055 -0.0008 0.0049 12994 LYS 86 C 0.0053 -0.0008 0.0046 12995 LYS 86 O 0.0052 -0.0013 0.0053 12996 LYS 86 CB 0.0065 0.0001 0.0048 12997 LYS 86 CG 0.0075 0.0002 0.0055 12998 LYS 86 CD 0.0085 0.0011 0.0052 12999 LYS 86 CE 0.0093 0.0014 0.0058 13000 LYS 86 NZ 0.0092 0.0017 0.0053 13001 LYS 86 H 0.0057 -0.0018 0.0064 13002 LYS 86 HA 0.0049 -0.0009 0.0044 13003 LYS 86 HB2 0.0064 0.0006 0.0040 13004 LYS 86 HB3 0.0067 0.0001 0.0049 13005 LYS 86 HG2 0.0076 -0.0003 0.0063 13006 LYS 86 HG3 0.0073 0.0002 0.0054 13007 LYS 86 HD2 0.0083 0.0016 0.0044 13008 LYS 86 HD3 0.0087 0.0011 0.0055 13009 LYS 86 HE2 0.0100 0.0020 0.0057 13010 LYS 86 HE3 0.0094 0.0009 0.0066 13011 LYS 86 HZ1 0.0085 0.0011 0.0052 13012 LYS 86 HZ2 0.0098 0.0018 0.0057 13013 LYS 86 HZ3 0.0091 0.0022 0.0045 13014 VAL 87 N 0.0051 -0.0002 0.0036 13015 VAL 87 CA 0.0048 -0.0001 0.0032 13016 VAL 87 C 0.0049 0.0007 0.0021 13017 VAL 87 O 0.0047 0.0011 0.0015 13018 VAL 87 CB 0.0037 -0.0009 0.0032 13019 VAL 87 CG1 0.0029 -0.0009 0.0023 13020 VAL 87 CG2 0.0035 -0.0009 0.0029 13021 VAL 87 H 0.0052 0.0002 0.0031 13022 VAL 87 HA 0.0054 -0.0001 0.0038 13023 VAL 87 HB 0.0037 -0.0015 0.0039 13024 VAL 87 HG11 0.0031 -0.0003 0.0016 13025 VAL 87 HG12 0.0029 -0.0012 0.0027 13026 VAL 87 HG13 0.0022 -0.0014 0.0022 13027 VAL 87 HG21 0.0027 -0.0014 0.0028 13028 VAL 87 HG22 0.0040 -0.0011 0.0036 13029 VAL 87 HG23 0.0037 -0.0003 0.0023 13030 ALA 88 N 0.0052 0.0011 0.0020 13031 ALA 88 CA 0.0054 0.0019 0.0010 13032 ALA 88 C 0.0044 0.0017 0.0002 13033 ALA 88 O 0.0043 0.0016 0.0003 13034 ALA 88 CB 0.0063 0.0024 0.0012 13035 ALA 88 H 0.0054 0.0008 0.0025 13036 ALA 88 HA 0.0055 0.0023 0.0006 13037 ALA 88 HB1 0.0070 0.0026 0.0017 13038 ALA 88 HB2 0.0064 0.0030 0.0005 13039 ALA 88 HB3 0.0062 0.0021 0.0016 13040 ILE 89 N 0.0037 0.0017 -0.0004 13041 ILE 89 CA 0.0027 0.0015 -0.0012 13042 ILE 89 C 0.0029 0.0024 -0.0022 13043 ILE 89 O 0.0031 0.0029 -0.0028 13044 ILE 89 CB 0.0018 0.0010 -0.0015 13045 ILE 89 CG1 0.0009 0.0010 -0.0024 13046 ILE 89 CG2 0.0021 0.0014 -0.0017 13047 ILE 89 CD1 -0.0001 0.0003 -0.0025 13048 ILE 89 H 0.0038 0.0018 -0.0004 13049 ILE 89 HA 0.0025 0.0011 -0.0008 13050 ILE 89 HB 0.0016 0.0003 -0.0008 13051 ILE 89 HG12 0.0010 0.0016 -0.0031 13052 ILE 89 HG13 0.0008 0.0008 -0.0023 13053 ILE 89 HG21 0.0023 0.0021 -0.0024 13054 ILE 89 HG22 0.0028 0.0015 -0.0011 13055 ILE 89 HG23 0.0015 0.0010 -0.0018 13056 ILE 89 HD11 -0.0007 0.0004 -0.0033 13057 ILE 89 HD12 0.0000 0.0004 -0.0025 13058 ILE 89 HD13 -0.0004 -0.0003 -0.0019 13059 SER 90 N 0.0029 0.0025 -0.0024 13060 SER 90 CA 0.0031 0.0033 -0.0033 13061 SER 90 C 0.0020 0.0032 -0.0042 13062 SER 90 O 0.0014 0.0027 -0.0042 13063 SER 90 CB 0.0036 0.0035 -0.0030 13064 SER 90 OG 0.0043 0.0044 -0.0036 13065 SER 90 H 0.0027 0.0020 -0.0019 13066 SER 90 HA 0.0036 0.0038 -0.0035 13067 SER 90 HB2 0.0041 0.0033 -0.0022 13068 SER 90 HB3 0.0031 0.0032 -0.0032 13069 SER 90 HG 0.0043 0.0047 -0.0040 13070 THR 91 N -0.0005 0.0022 -0.0056 13071 THR 91 CA 0.0006 0.0024 -0.0041 13072 THR 91 C -0.0002 0.0015 -0.0027 13073 THR 91 O -0.0017 0.0006 -0.0028 13074 THR 91 CB 0.0018 0.0028 -0.0034 13075 THR 91 OG1 0.0009 0.0021 -0.0028 13076 THR 91 CG2 0.0027 0.0038 -0.0049 13077 THR 91 H -0.0012 0.0018 -0.0055 13078 THR 91 HA 0.0014 0.0029 -0.0046 13079 THR 91 HB 0.0026 0.0030 -0.0023 13080 THR 91 HG1 0.0014 0.0021 -0.0016 13081 THR 91 HG21 0.0018 0.0036 -0.0060 13082 THR 91 HG22 0.0034 0.0043 -0.0053 13083 THR 91 HG23 0.0034 0.0041 -0.0043 13084 THR 92 N 0.0007 0.0016 -0.0013 13085 THR 92 CA -0.0000 0.0007 0.0002 13086 THR 92 C 0.0001 0.0003 0.0018 13087 THR 92 O 0.0013 0.0007 0.0028 13088 THR 92 CB 0.0007 0.0010 0.0007 13089 THR 92 OG1 0.0000 0.0001 0.0022 13090 THR 92 CG2 0.0025 0.0019 0.0012 13091 THR 92 H 0.0019 0.0022 -0.0011 13092 THR 92 HA -0.0013 0.0001 -0.0003 13093 THR 92 HB 0.0004 0.0011 -0.0004 13094 THR 92 HG1 -0.0005 -0.0003 0.0027 13095 THR 92 HG21 0.0030 0.0025 0.0001 13096 THR 92 HG22 0.0030 0.0021 0.0014 13097 THR 92 HG23 0.0028 0.0017 0.0024 13098 PRO 93 N -0.0013 -0.0006 0.0021 13099 PRO 93 CA -0.0013 -0.0011 0.0037 13100 PRO 93 C -0.0007 -0.0013 0.0054 13101 PRO 93 O -0.0004 -0.0011 0.0055 13102 PRO 93 CB -0.0031 -0.0021 0.0036 13103 PRO 93 CG -0.0038 -0.0019 0.0017 13104 PRO 93 CD -0.0028 -0.0011 0.0009 13105 PRO 93 HA -0.0007 -0.0007 0.0036 13106 PRO 93 HB2 -0.0037 -0.0026 0.0044 13107 PRO 93 HB3 -0.0033 -0.0024 0.0041 13108 PRO 93 HG2 -0.0050 -0.0026 0.0015 13109 PRO 93 HG3 -0.0037 -0.0017 0.0010 13110 PRO 93 HD2 -0.0034 -0.0015 0.0009 13111 PRO 93 HD3 -0.0026 -0.0006 -0.0004 13112 LEU 94 N -0.0006 -0.0016 0.0068 13113 LEU 94 CA -0.0000 -0.0018 0.0086 13114 LEU 94 C -0.0012 -0.0027 0.0092 13115 LEU 94 O -0.0026 -0.0033 0.0085 13116 LEU 94 CB 0.0003 -0.0020 0.0099 13117 LEU 94 CG -0.0001 -0.0020 0.0092 13118 LEU 94 CD1 -0.0019 -0.0030 0.0090 13119 LEU 94 CD2 0.0007 -0.0019 0.0104 13120 LEU 94 H -0.0008 -0.0017 0.0067 13121 LEU 94 HA 0.0011 -0.0011 0.0085 13122 LEU 94 HB2 -0.0004 -0.0027 0.0110 13123 LEU 94 HB3 0.0015 -0.0015 0.0105 13124 LEU 94 HG 0.0003 -0.0014 0.0079 13125 LEU 94 HD11 -0.0025 -0.0030 0.0077 13126 LEU 94 HD12 -0.0022 -0.0032 0.0091 13127 LEU 94 HD13 -0.0024 -0.0036 0.0100 13128 LEU 94 HD21 0.0020 -0.0012 0.0106 13129 LEU 94 HD22 0.0003 -0.0025 0.0117 13130 LEU 94 HD23 0.0005 -0.0019 0.0099 13131 GLU 95 N -0.0007 -0.0027 0.0105 13132 GLU 95 CA -0.0017 -0.0035 0.0112 13133 GLU 95 C -0.0010 -0.0037 0.0130 13134 GLU 95 O 0.0004 -0.0030 0.0136 13135 GLU 95 CB -0.0019 -0.0033 0.0100 13136 GLU 95 CG -0.0004 -0.0025 0.0101 13137 GLU 95 CD 0.0009 -0.0014 0.0091 13138 GLU 95 OE1 0.0008 -0.0010 0.0075 13139 GLU 95 OE2 0.0020 -0.0010 0.0098 13140 GLU 95 H 0.0005 -0.0022 0.0110 13141 GLU 95 HA -0.0028 -0.0042 0.0112 13142 GLU 95 HB2 -0.0029 -0.0040 0.0103 13143 GLU 95 HB3 -0.0022 -0.0030 0.0086 13144 GLU 95 HG2 0.0001 -0.0026 0.0115 13145 GLU 95 HG3 -0.0008 -0.0026 0.0096 13146 ASN 96 N -0.0020 -0.0045 0.0140 13147 ASN 96 CA -0.0015 -0.0048 0.0158 13148 ASN 96 C -0.0006 -0.0043 0.0159 13149 ASN 96 O -0.0008 -0.0040 0.0145 13150 ASN 96 CB -0.0029 -0.0059 0.0168 13151 ASN 96 CG -0.0040 -0.0064 0.0162 13152 ASN 96 OD1 -0.0037 -0.0064 0.0168 13153 ASN 96 ND2 -0.0053 -0.0068 0.0150 13154 ASN 96 OXT 0.0004 -0.0042 0.0172 13155 ASN 96 H -0.0031 -0.0050 0.0135 13156 ASN 96 HA -0.0007 -0.0045 0.0165 13157 ASN 96 HB2 -0.0025 -0.0061 0.0182 13158 ASN 96 HB3 -0.0036 -0.0063 0.0166 13159 ASN 96 HD21 -0.0054 -0.0067 0.0146 13160 ASN 96 HD22 -0.0060 -0.0070 0.0146 13161 SER 101 N 0.0096 0.0006 0.0059 13162 SER 101 CA 0.0086 -0.0009 0.0074 13163 SER 101 C 0.0075 -0.0016 0.0079 13164 SER 101 O 0.0058 -0.0017 0.0069 13165 SER 101 CB 0.0101 -0.0014 0.0091 13166 SER 101 OG 0.0113 -0.0006 0.0086 13167 SER 101 H1 0.0105 0.0011 0.0058 13168 SER 101 H2 0.0105 0.0008 0.0062 13169 SER 101 H3 0.0085 0.0010 0.0047 13170 SER 101 HA 0.0074 -0.0011 0.0070 13171 SER 101 HB2 0.0112 -0.0013 0.0096 13172 SER 101 HB3 0.0094 -0.0025 0.0101 13173 SER 101 HG 0.0110 -0.0012 0.0093 13174 TRP 102 N 0.0084 -0.0022 0.0093 13175 TRP 102 CA 0.0075 -0.0030 0.0098 13176 TRP 102 C 0.0092 -0.0026 0.0102 13177 TRP 102 O 0.0092 -0.0034 0.0114 13178 TRP 102 CB 0.0066 -0.0045 0.0114 13179 TRP 102 CG 0.0044 -0.0052 0.0111 13180 TRP 102 CD1 0.0029 -0.0060 0.0113 13181 TRP 102 CD2 0.0034 -0.0052 0.0106 13182 TRP 102 NE1 0.0010 -0.0064 0.0109 13183 TRP 102 CE2 0.0013 -0.0060 0.0104 13184 TRP 102 CE3 0.0041 -0.0046 0.0102 13185 TRP 102 CZ2 -0.0001 -0.0062 0.0099 13186 TRP 102 CZ3 0.0028 -0.0048 0.0096 13187 TRP 102 CH2 0.0007 -0.0056 0.0095 13188 TRP 102 H 0.0098 -0.0022 0.0099 13189 TRP 102 HA 0.0063 -0.0027 0.0087 13190 TRP 102 HB2 0.0068 -0.0047 0.0118 13191 TRP 102 HB3 0.0074 -0.0050 0.0126 13192 TRP 102 HD1 0.0031 -0.0062 0.0117 13193 TRP 102 HE1 -0.0003 -0.0070 0.0109 13194 TRP 102 HE3 0.0058 -0.0040 0.0102 13195 TRP 102 HZ2 -0.0017 -0.0068 0.0098 13196 TRP 102 HZ3 0.0033 -0.0044 0.0093 13197 TRP 102 HH2 -0.0004 -0.0057 0.0091 13198 GLU 103 N 0.0106 -0.0013 0.0092 13199 GLU 103 CA 0.0122 -0.0008 0.0095 13200 GLU 103 C 0.0114 -0.0006 0.0087 13201 GLU 103 O 0.0112 -0.0014 0.0097 13202 GLU 103 CB 0.0139 0.0005 0.0085 13203 GLU 103 CG 0.0145 0.0005 0.0089 13204 GLU 103 CD 0.0134 0.0011 0.0074 13205 GLU 103 OE1 0.0115 0.0007 0.0069 13206 GLU 103 OE2 0.0143 0.0019 0.0068 13207 GLU 103 H 0.0105 -0.0007 0.0083 13208 GLU 103 HA 0.0128 -0.0016 0.0109 13209 GLU 103 HB2 0.0134 0.0013 0.0071 13210 GLU 103 HB3 0.0153 0.0007 0.0090 13211 GLU 103 HG2 0.0161 0.0011 0.0090 13212 GLU 103 HG3 0.0141 -0.0005 0.0102 13213 SER 104 N 0.0109 0.0004 0.0069 13214 SER 104 CA 0.0101 0.0008 0.0060 13215 SER 104 C 0.0088 0.0016 0.0041 13216 SER 104 O 0.0081 0.0015 0.0037 13217 SER 104 CB 0.0119 0.0016 0.0058 13218 SER 104 OG 0.0130 0.0008 0.0076 13219 SER 104 H 0.0111 0.0010 0.0062 13220 SER 104 HA 0.0091 -0.0002 0.0068 13221 SER 104 HB2 0.0129 0.0025 0.0051 13222 SER 104 HB3 0.0112 0.0018 0.0051 13223 SER 104 HG 0.0125 -0.0000 0.0085 13224 HIS 105 N 0.0085 0.0023 0.0029 13225 HIS 105 CA 0.0073 0.0031 0.0011 13226 HIS 105 C 0.0085 0.0044 -0.0001 13227 HIS 105 O 0.0095 0.0055 -0.0011 13228 HIS 105 CB 0.0067 0.0034 0.0002 13229 HIS 105 CG 0.0084 0.0038 0.0006 13230 HIS 105 ND1 0.0096 0.0052 -0.0006 13231 HIS 105 CD2 0.0089 0.0030 0.0021 13232 HIS 105 CE1 0.0108 0.0051 0.0002 13233 HIS 105 NE2 0.0105 0.0039 0.0018 13234 HIS 105 H 0.0091 0.0022 0.0033 13235 HIS 105 HA 0.0060 0.0025 0.0011 13236 HIS 105 HB2 0.0063 0.0043 -0.0013 13237 HIS 105 HB3 0.0054 0.0026 0.0006 13238 HIS 105 HD2 0.0083 0.0019 0.0033 13239 HIS 105 HE1 0.0119 0.0060 -0.0005 13240 HIS 105 HE2 0.0114 0.0036 0.0027 13241 LYS 106 N 0.0084 0.0042 0.0001 13242 LYS 106 CA 0.0095 0.0053 -0.0009 13243 LYS 106 C 0.0080 0.0060 -0.0027 13244 LYS 106 O 0.0085 0.0068 -0.0036 13245 LYS 106 CB 0.0103 0.0049 0.0002 13246 LYS 106 CG 0.0123 0.0048 0.0015 13247 LYS 106 CD 0.0133 0.0045 0.0025 13248 LYS 106 CE 0.0155 0.0047 0.0035 13249 LYS 106 NZ 0.0164 0.0044 0.0044 13250 LYS 106 H 0.0076 0.0033 0.0009 13251 LYS 106 HA 0.0107 0.0061 -0.0013 13252 LYS 106 HB2 0.0092 0.0039 0.0010 13253 LYS 106 HB3 0.0106 0.0056 -0.0007 13254 LYS 106 HG2 0.0134 0.0057 0.0008 13255 LYS 106 HG3 0.0121 0.0040 0.0025 13256 LYS 106 HD2 0.0124 0.0035 0.0034 13257 LYS 106 HD3 0.0133 0.0052 0.0015 13258 LYS 106 HE2 0.0164 0.0057 0.0026 13259 LYS 106 HE3 0.0155 0.0040 0.0045 13260 LYS 106 HZ1 0.0156 0.0035 0.0053 13261 LYS 106 HZ2 0.0179 0.0046 0.0051 13262 LYS 106 HZ3 0.0165 0.0051 0.0035 13263 SER 107 N 0.0036 0.0018 -0.0014 13264 SER 107 CA 0.0032 0.0025 -0.0014 13265 SER 107 C 0.0024 0.0026 -0.0013 13266 SER 107 O 0.0019 0.0030 -0.0012 13267 SER 107 CB 0.0033 0.0024 -0.0014 13268 SER 107 OG 0.0034 0.0015 -0.0014 13269 SER 107 H 0.0033 0.0013 -0.0014 13270 SER 107 HA 0.0036 0.0030 -0.0014 13271 SER 107 HB2 0.0027 0.0025 -0.0013 13272 SER 107 HB3 0.0037 0.0027 -0.0014 13273 SER 107 HG 0.0035 0.0015 -0.0014 13274 GLY 108 N 0.0022 0.0023 -0.0013 13275 GLY 108 CA 0.0014 0.0024 -0.0012 13276 GLY 108 C 0.0013 0.0019 -0.0012 13277 GLY 108 O 0.0017 0.0019 -0.0012 13278 GLY 108 H 0.0026 0.0021 -0.0013 13279 GLY 108 HA2 0.0014 0.0030 -0.0011 13280 GLY 108 HA3 0.0010 0.0023 -0.0011 13281 GLY 109 N 0.0007 0.0014 -0.0011 13282 GLY 109 CA 0.0004 0.0009 -0.0011 13283 GLY 109 C -0.0001 0.0002 -0.0011 13284 GLY 109 O 0.0001 -0.0001 -0.0011 13285 GLY 109 H 0.0003 0.0015 -0.0011 13286 GLY 109 HA2 0.0010 0.0007 -0.0012 13287 GLY 109 HA3 0.0001 0.0012 -0.0011 13288 GLU 110 N -0.0007 0.0001 -0.0010 13289 GLU 110 CA -0.0012 -0.0005 -0.0010 13290 GLU 110 C -0.0020 -0.0002 -0.0009 13291 GLU 110 O -0.0026 -0.0006 -0.0008 13292 GLU 110 CB -0.0014 -0.0011 -0.0010 13293 GLU 110 CG -0.0006 -0.0014 -0.0011 13294 GLU 110 CD -0.0007 -0.0022 -0.0011 13295 GLU 110 OE1 -0.0009 -0.0021 -0.0011 13296 GLU 110 OE2 -0.0007 -0.0028 -0.0011 13297 GLU 110 H -0.0008 0.0005 -0.0010 13298 GLU 110 HA -0.0010 -0.0008 -0.0010 13299 GLU 110 HB2 -0.0016 -0.0008 -0.0009 13300 GLU 110 HB3 -0.0017 -0.0016 -0.0009 13301 GLU 110 HG2 -0.0002 -0.0016 -0.0011 13302 GLU 110 HG3 -0.0003 -0.0010 -0.0011 13303 THR 111 N -0.0020 0.0005 -0.0008 13304 THR 111 CA -0.0028 0.0008 -0.0007 13305 THR 111 C -0.0031 0.0004 -0.0007 13306 THR 111 O -0.0028 0.0005 -0.0007 13307 THR 111 CB -0.0027 0.0017 -0.0007 13308 THR 111 OG1 -0.0023 0.0021 -0.0008 13309 THR 111 CG2 -0.0034 0.0021 -0.0006 13310 THR 111 H -0.0015 0.0007 -0.0009 13311 THR 111 HA -0.0032 0.0008 -0.0007 13312 THR 111 HB -0.0023 0.0017 -0.0008 13313 THR 111 HG1 -0.0018 0.0020 -0.0008 13314 THR 111 HG21 -0.0038 0.0021 -0.0006 13315 THR 111 HG22 -0.0037 0.0017 -0.0006 13316 THR 111 HG23 -0.0033 0.0027 -0.0006 13317 ARG 112 N -0.0036 -0.0002 -0.0007 13318 ARG 112 CA -0.0039 -0.0007 -0.0007 13319 ARG 112 C -0.0046 -0.0003 -0.0006 13320 ARG 112 O -0.0048 0.0004 -0.0005 13321 ARG 112 CB -0.0042 -0.0015 -0.0007 13322 ARG 112 CG -0.0048 -0.0014 -0.0006 13323 ARG 112 CD -0.0050 -0.0022 -0.0006 13324 ARG 112 NE -0.0045 -0.0022 -0.0006 13325 ARG 112 CZ -0.0048 -0.0021 -0.0006 13326 ARG 112 NH1 -0.0056 -0.0019 -0.0005 13327 ARG 112 NH2 -0.0044 -0.0021 -0.0007 13328 ARG 112 H -0.0037 -0.0003 -0.0007 13329 ARG 112 HA -0.0034 -0.0008 -0.0007 13330 ARG 112 HB2 -0.0043 -0.0019 -0.0006 13331 ARG 112 HB3 -0.0037 -0.0017 -0.0007 13332 ARG 112 HG2 -0.0047 -0.0010 -0.0006 13333 ARG 112 HG3 -0.0053 -0.0013 -0.0005 13334 ARG 112 HD2 -0.0056 -0.0022 -0.0005 13335 ARG 112 HD3 -0.0048 -0.0027 -0.0006 13336 ARG 112 HE -0.0040 -0.0024 -0.0007 13337 ARG 112 HH11 -0.0059 -0.0018 -0.0005 13338 ARG 112 HH12 -0.0058 -0.0018 -0.0005 13339 ARG 112 HH21 -0.0038 -0.0023 -0.0007 13340 ARG 112 HH22 -0.0046 -0.0020 -0.0006 13341 LEU 113 N -0.0043 -0.0020 -0.0003 13342 LEU 113 CA -0.0038 -0.0019 0.0002 13343 LEU 113 C -0.0043 -0.0020 0.0001 13344 LEU 113 O -0.0038 -0.0019 0.0000 13345 LEU 113 CB -0.0028 -0.0016 -0.0001 13346 LEU 113 CG -0.0021 -0.0014 0.0005 13347 LEU 113 CD1 -0.0021 -0.0013 0.0015 13348 LEU 113 CD2 -0.0023 -0.0015 0.0003 13349 LEU 113 OXT -0.0052 -0.0022 0.0001 13350 LEU 113 H -0.0041 -0.0021 -0.0010 13351 LEU 113 HA -0.0039 -0.0018 0.0010 13352 LEU 113 HB2 -0.0027 -0.0017 -0.0009 13353 LEU 113 HB3 -0.0026 -0.0016 -0.0000 13354 LEU 113 HG -0.0014 -0.0012 0.0002 13355 LEU 113 HD11 -0.0028 -0.0015 0.0018 13356 LEU 113 HD12 -0.0019 -0.0012 0.0016 13357 LEU 113 HD13 -0.0016 -0.0012 0.0019 13358 LEU 113 HD21 -0.0023 -0.0016 -0.0004 13359 LEU 113 HD22 -0.0030 -0.0016 0.0007 13360 LEU 113 HD23 -0.0017 -0.0013 0.0006 13361 GLY 1 N -0.0011 0.0043 0.0070 13362 GLY 1 CA -0.0008 0.0043 0.0067 13363 GLY 1 C -0.0041 0.0045 0.0069 13364 GLY 1 O -0.0064 0.0045 0.0079 13365 GLY 1 H1 0.0012 0.0041 0.0071 13366 GLY 1 H2 -0.0024 0.0046 0.0051 13367 GLY 1 H3 -0.0023 0.0041 0.0091 13368 GLY 1 HA2 0.0007 0.0040 0.0085 13369 GLY 1 HA3 0.0002 0.0045 0.0044 13370 GLY 2 N -0.0042 0.0046 0.0060 13371 GLY 2 CA -0.0072 0.0047 0.0062 13372 GLY 2 C -0.0084 0.0052 0.0029 13373 GLY 2 O -0.0072 0.0054 0.0005 13374 GLY 2 H -0.0022 0.0045 0.0053 13375 GLY 2 HA2 -0.0089 0.0047 0.0074 13376 GLY 2 HA3 -0.0068 0.0046 0.0075 13377 SER 3 N -0.0108 0.0054 0.0028 13378 SER 3 CA -0.0122 0.0058 -0.0001 13379 SER 3 C -0.0126 0.0058 -0.0001 13380 SER 3 O -0.0130 0.0056 0.0025 13381 SER 3 CB -0.0154 0.0061 -0.0007 13382 SER 3 OG -0.0151 0.0060 -0.0004 13383 SER 3 H -0.0116 0.0052 0.0048 13384 SER 3 HA -0.0105 0.0059 -0.0020 13385 SER 3 HB2 -0.0171 0.0060 0.0011 13386 SER 3 HB3 -0.0162 0.0064 -0.0030 13387 SER 3 HG -0.0153 0.0058 0.0018 13388 MET 4 N -0.0126 0.0062 -0.0029 13389 MET 4 CA -0.0130 0.0062 -0.0032 13390 MET 4 C -0.0103 0.0059 -0.0016 13391 MET 4 O -0.0107 0.0056 0.0011 13392 MET 4 CB -0.0162 0.0063 -0.0019 13393 MET 4 CG -0.0190 0.0067 -0.0040 13394 MET 4 SD -0.0228 0.0067 -0.0020 13395 MET 4 CE -0.0230 0.0067 -0.0018 13396 MET 4 H -0.0122 0.0064 -0.0048 13397 MET 4 HA -0.0128 0.0065 -0.0057 13398 MET 4 HB2 -0.0165 0.0060 0.0004 13399 MET 4 HB3 -0.0163 0.0063 -0.0018 13400 MET 4 HG2 -0.0190 0.0070 -0.0062 13401 MET 4 HG3 -0.0187 0.0068 -0.0045 13402 MET 4 HE1 -0.0212 0.0064 -0.0002 13403 MET 4 HE2 -0.0253 0.0067 -0.0009 13404 MET 4 HE3 -0.0226 0.0070 -0.0041 13405 ARG 5 N -0.0075 0.0059 -0.0031 13406 ARG 5 CA -0.0047 0.0055 -0.0018 13407 ARG 5 C -0.0052 0.0056 -0.0019 13408 ARG 5 O -0.0068 0.0059 -0.0040 13409 ARG 5 CB -0.0017 0.0056 -0.0036 13410 ARG 5 CG -0.0007 0.0054 -0.0031 13411 ARG 5 CD -0.0024 0.0058 -0.0055 13412 ARG 5 NE -0.0014 0.0057 -0.0052 13413 ARG 5 CZ -0.0017 0.0060 -0.0075 13414 ARG 5 NH1 -0.0030 0.0064 -0.0103 13415 ARG 5 NH2 -0.0008 0.0059 -0.0070 13416 ARG 5 H -0.0073 0.0061 -0.0052 13417 ARG 5 HA -0.0045 0.0052 0.0007 13418 ARG 5 HB2 -0.0020 0.0059 -0.0061 13419 ARG 5 HB3 0.0003 0.0053 -0.0028 13420 ARG 5 HG2 0.0018 0.0053 -0.0035 13421 ARG 5 HG3 -0.0013 0.0052 -0.0008 13422 ARG 5 HD2 -0.0049 0.0059 -0.0051 13423 ARG 5 HD3 -0.0018 0.0061 -0.0079 13424 ARG 5 HE -0.0005 0.0054 -0.0031 13425 ARG 5 HH11 -0.0037 0.0065 -0.0106 13426 ARG 5 HH12 -0.0032 0.0067 -0.0120 13427 ARG 5 HH21 0.0002 0.0056 -0.0049 13428 ARG 5 HH22 -0.0010 0.0061 -0.0087 13429 PRO 6 N -0.0038 0.0052 0.0004 13430 PRO 6 CA -0.0041 0.0052 0.0007 13431 PRO 6 C -0.0013 0.0052 -0.0009 13432 PRO 6 O 0.0014 0.0049 0.0002 13433 PRO 6 CB -0.0041 0.0048 0.0043 13434 PRO 6 CG -0.0032 0.0045 0.0057 13435 PRO 6 CD -0.0019 0.0048 0.0031 13436 PRO 6 HA -0.0063 0.0055 -0.0003 13437 PRO 6 HB2 -0.0024 0.0046 0.0048 13438 PRO 6 HB3 -0.0064 0.0048 0.0051 13439 PRO 6 HG2 -0.0013 0.0042 0.0075 13440 PRO 6 HG3 -0.0053 0.0046 0.0068 13441 PRO 6 HD2 0.0006 0.0047 0.0027 13442 PRO 6 HD3 -0.0024 0.0048 0.0036 13443 PRO 7 N 0.0071 0.0039 -0.0039 13444 PRO 7 CA 0.0064 0.0032 -0.0030 13445 PRO 7 C 0.0064 0.0033 -0.0032 13446 PRO 7 O 0.0076 0.0037 -0.0032 13447 PRO 7 CB 0.0071 0.0027 -0.0017 13448 PRO 7 CG 0.0080 0.0031 -0.0018 13449 PRO 7 CD 0.0083 0.0039 -0.0031 13450 PRO 7 HA 0.0053 0.0028 -0.0031 13451 PRO 7 HB2 0.0077 0.0027 -0.0013 13452 PRO 7 HB3 0.0063 0.0021 -0.0010 13453 PRO 7 HG2 0.0089 0.0030 -0.0011 13454 PRO 7 HG3 0.0075 0.0028 -0.0017 13455 PRO 7 HD2 0.0092 0.0042 -0.0032 13456 PRO 7 HD3 0.0085 0.0042 -0.0035 13457 ILE 8 N 0.0053 0.0031 -0.0035 13458 ILE 8 CA 0.0052 0.0031 -0.0037 13459 ILE 8 C 0.0052 0.0025 -0.0024 13460 ILE 8 O 0.0043 0.0018 -0.0018 13461 ILE 8 CB 0.0038 0.0031 -0.0046 13462 ILE 8 CG1 0.0034 0.0035 -0.0056 13463 ILE 8 CG2 0.0039 0.0035 -0.0052 13464 ILE 8 CD1 0.0020 0.0031 -0.0057 13465 ILE 8 H 0.0044 0.0028 -0.0036 13466 ILE 8 HA 0.0060 0.0037 -0.0042 13467 ILE 8 HB 0.0030 0.0025 -0.0040 13468 ILE 8 HG12 0.0036 0.0041 -0.0065 13469 ILE 8 HG13 0.0041 0.0036 -0.0053 13470 ILE 8 HG21 0.0044 0.0033 -0.0045 13471 ILE 8 HG22 0.0029 0.0034 -0.0056 13472 ILE 8 HG23 0.0046 0.0041 -0.0060 13473 ILE 8 HD11 0.0017 0.0035 -0.0065 13474 ILE 8 HD12 0.0013 0.0029 -0.0057 13475 ILE 8 HD13 0.0019 0.0026 -0.0048 13476 ILE 9 N 0.0064 0.0027 -0.0021 13477 ILE 9 CA 0.0066 0.0021 -0.0008 13478 ILE 9 C 0.0058 0.0018 -0.0009 13479 ILE 9 O 0.0062 0.0022 -0.0014 13480 ILE 9 CB 0.0081 0.0024 -0.0004 13481 ILE 9 CG1 0.0091 0.0029 -0.0008 13482 ILE 9 CG2 0.0084 0.0017 0.0011 13483 ILE 9 CD1 0.0090 0.0025 -0.0002 13484 ILE 9 H 0.0071 0.0032 -0.0026 13485 ILE 9 HA 0.0062 0.0016 -0.0001 13486 ILE 9 HB 0.0084 0.0027 -0.0008 13487 ILE 9 HG12 0.0088 0.0034 -0.0018 13488 ILE 9 HG13 0.0101 0.0032 -0.0006 13489 ILE 9 HG21 0.0079 0.0014 0.0013 13490 ILE 9 HG22 0.0095 0.0019 0.0014 13491 ILE 9 HG23 0.0080 0.0013 0.0015 13492 ILE 9 HD11 0.0097 0.0030 -0.0005 13493 ILE 9 HD12 0.0079 0.0023 -0.0004 13494 ILE 9 HD13 0.0092 0.0021 0.0008 13495 ILE 10 N 0.0046 0.0012 -0.0005 13496 ILE 10 CA 0.0038 0.0009 -0.0005 13497 ILE 10 C 0.0044 0.0005 0.0007 13498 ILE 10 O 0.0051 0.0003 0.0016 13499 ILE 10 CB 0.0022 0.0003 -0.0003 13500 ILE 10 CG1 0.0015 0.0006 -0.0013 13501 ILE 10 CG2 0.0014 0.0001 -0.0004 13502 ILE 10 CD1 0.0006 -0.0000 -0.0008 13503 ILE 10 H 0.0042 0.0009 -0.0002 13504 ILE 10 HA 0.0038 0.0014 -0.0013 13505 ILE 10 HB 0.0022 -0.0002 0.0006 13506 ILE 10 HG12 0.0009 0.0008 -0.0021 13507 ILE 10 HG13 0.0023 0.0011 -0.0017 13508 ILE 10 HG21 0.0003 -0.0003 -0.0004 13509 ILE 10 HG22 0.0015 0.0006 -0.0013 13510 ILE 10 HG23 0.0018 -0.0002 0.0004 13511 ILE 10 HD11 0.0012 -0.0001 -0.0002 13512 ILE 10 HD12 -0.0001 0.0002 -0.0015 13513 ILE 10 HD13 -0.0000 -0.0006 -0.0002 13514 HIS 11 N 0.0041 0.0004 0.0007 13515 HIS 11 CA 0.0046 0.0000 0.0017 13516 HIS 11 C 0.0034 -0.0005 0.0020 13517 HIS 11 O 0.0029 -0.0003 0.0012 13518 HIS 11 CB 0.0058 0.0006 0.0014 13519 HIS 11 CG 0.0065 0.0003 0.0025 13520 HIS 11 ND1 0.0064 0.0002 0.0026 13521 HIS 11 CD2 0.0074 -0.0000 0.0036 13522 HIS 11 CE1 0.0071 -0.0002 0.0037 13523 HIS 11 NE2 0.0078 -0.0003 0.0043 13524 HIS 11 H 0.0035 0.0006 -0.0001 13525 HIS 11 HA 0.0050 -0.0003 0.0026 13526 HIS 11 HB2 0.0066 0.0010 0.0011 13527 HIS 11 HB3 0.0055 0.0009 0.0006 13528 HIS 11 HD2 0.0077 -0.0000 0.0038 13529 HIS 11 HE1 0.0072 -0.0003 0.0040 13530 HIS 11 HE2 0.0082 -0.0006 0.0052 13531 ARG 12 N 0.0030 -0.0013 0.0031 13532 ARG 12 CA 0.0019 -0.0018 0.0034 13533 ARG 12 C 0.0022 -0.0018 0.0036 13534 ARG 12 O 0.0031 -0.0020 0.0045 13535 ARG 12 CB 0.0015 -0.0026 0.0047 13536 ARG 12 CG 0.0002 -0.0033 0.0050 13537 ARG 12 CD -0.0002 -0.0041 0.0062 13538 ARG 12 NE -0.0013 -0.0047 0.0067 13539 ARG 12 CZ -0.0014 -0.0054 0.0080 13540 ARG 12 NH1 -0.0004 -0.0056 0.0089 13541 ARG 12 NH2 -0.0024 -0.0059 0.0083 13542 ARG 12 H 0.0034 -0.0014 0.0037 13543 ARG 12 HA 0.0010 -0.0017 0.0027 13544 ARG 12 HB2 0.0013 -0.0027 0.0046 13545 ARG 12 HB3 0.0023 -0.0028 0.0054 13546 ARG 12 HG2 0.0004 -0.0033 0.0052 13547 ARG 12 HG3 -0.0006 -0.0032 0.0043 13548 ARG 12 HD2 -0.0005 -0.0040 0.0060 13549 ARG 12 HD3 0.0007 -0.0041 0.0070 13550 ARG 12 HE -0.0020 -0.0046 0.0061 13551 ARG 12 HH11 0.0003 -0.0052 0.0086 13552 ARG 12 HH12 -0.0005 -0.0061 0.0098 13553 ARG 12 HH21 -0.0031 -0.0058 0.0076 13554 ARG 12 HH22 -0.0024 -0.0064 0.0092 13555 ALA 13 N 0.0000 -0.0014 0.0016 13556 ALA 13 CA -0.0003 -0.0015 0.0014 13557 ALA 13 C -0.0017 -0.0020 0.0026 13558 ALA 13 O -0.0029 -0.0022 0.0020 13559 ALA 13 CB -0.0007 -0.0012 -0.0005 13560 ALA 13 H -0.0005 -0.0014 0.0007 13561 ALA 13 HA 0.0009 -0.0013 0.0018 13562 ALA 13 HB1 -0.0010 -0.0013 -0.0005 13563 ALA 13 HB2 -0.0017 -0.0014 -0.0009 13564 ALA 13 HB3 0.0004 -0.0008 -0.0012 13565 GLY 14 N -0.0015 -0.0023 0.0042 13566 GLY 14 CA -0.0028 -0.0028 0.0054 13567 GLY 14 C -0.0043 -0.0031 0.0053 13568 GLY 14 O -0.0048 -0.0035 0.0066 13569 GLY 14 H -0.0005 -0.0021 0.0046 13570 GLY 14 HA2 -0.0023 -0.0029 0.0067 13571 GLY 14 HA3 -0.0033 -0.0029 0.0051 13572 LYS 15 N -0.0050 -0.0030 0.0037 13573 LYS 15 CA -0.0064 -0.0033 0.0034 13574 LYS 15 C -0.0059 -0.0032 0.0037 13575 LYS 15 O -0.0059 -0.0035 0.0051 13576 LYS 15 CB -0.0072 -0.0031 0.0016 13577 LYS 15 CG -0.0059 -0.0026 0.0003 13578 LYS 15 CD -0.0068 -0.0025 -0.0015 13579 LYS 15 CE -0.0082 -0.0028 -0.0016 13580 LYS 15 NZ -0.0088 -0.0026 -0.0034 13581 LYS 15 H -0.0045 -0.0027 0.0028 13582 LYS 15 HA -0.0073 -0.0037 0.0044 13583 LYS 15 HB2 -0.0078 -0.0032 0.0012 13584 LYS 15 HB3 -0.0082 -0.0034 0.0017 13585 LYS 15 HG2 -0.0055 -0.0026 0.0007 13586 LYS 15 HG3 -0.0049 -0.0024 0.0003 13587 LYS 15 HD2 -0.0058 -0.0021 -0.0024 13588 LYS 15 HD3 -0.0073 -0.0025 -0.0018 13589 LYS 15 HE2 -0.0092 -0.0032 -0.0008 13590 LYS 15 HE3 -0.0077 -0.0028 -0.0011 13591 LYS 15 HZ1 -0.0092 -0.0026 -0.0040 13592 LYS 15 HZ2 -0.0079 -0.0023 -0.0041 13593 LYS 15 HZ3 -0.0099 -0.0029 -0.0034 13594 LYS 16 N -0.0054 -0.0028 0.0023 13595 LYS 16 CA -0.0049 -0.0027 0.0024 13596 LYS 16 C -0.0037 -0.0022 0.0010 13597 LYS 16 O -0.0032 -0.0019 0.0000 13598 LYS 16 CB -0.0065 -0.0031 0.0024 13599 LYS 16 CG -0.0077 -0.0031 0.0009 13600 LYS 16 CD -0.0094 -0.0036 0.0012 13601 LYS 16 CE -0.0104 -0.0035 -0.0005 13602 LYS 16 NZ -0.0108 -0.0034 -0.0014 13603 LYS 16 H -0.0053 -0.0026 0.0012 13604 LYS 16 HA -0.0042 -0.0028 0.0036 13605 LYS 16 HB2 -0.0061 -0.0030 0.0022 13606 LYS 16 HB3 -0.0071 -0.0035 0.0036 13607 LYS 16 HG2 -0.0079 -0.0032 0.0009 13608 LYS 16 HG3 -0.0073 -0.0028 -0.0003 13609 LYS 16 HD2 -0.0092 -0.0037 0.0019 13610 LYS 16 HD3 -0.0102 -0.0039 0.0020 13611 LYS 16 HE2 -0.0097 -0.0032 -0.0013 13612 LYS 16 HE3 -0.0116 -0.0038 -0.0002 13613 LYS 16 HZ1 -0.0111 -0.0033 -0.0027 13614 LYS 16 HZ2 -0.0098 -0.0032 -0.0014 13615 LYS 16 HZ3 -0.0118 -0.0038 -0.0009 13616 TYR 17 N -0.0034 -0.0021 0.0008 13617 TYR 17 CA -0.0023 -0.0016 -0.0006 13618 TYR 17 C -0.0034 -0.0016 -0.0022 13619 TYR 17 O -0.0028 -0.0012 -0.0035 13620 TYR 17 CB -0.0013 -0.0015 0.0001 13621 TYR 17 CG -0.0005 -0.0016 0.0018 13622 TYR 17 CD1 -0.0014 -0.0021 0.0033 13623 TYR 17 CD2 0.0011 -0.0013 0.0021 13624 TYR 17 CE1 -0.0007 -0.0022 0.0049 13625 TYR 17 CE2 0.0019 -0.0014 0.0037 13626 TYR 17 CZ 0.0009 -0.0018 0.0051 13627 TYR 17 OH 0.0016 -0.0020 0.0067 13628 TYR 17 H -0.0039 -0.0023 0.0016 13629 TYR 17 HA -0.0014 -0.0013 -0.0008 13630 TYR 17 HB2 -0.0021 -0.0017 0.0001 13631 TYR 17 HB3 -0.0003 -0.0011 -0.0008 13632 TYR 17 HD1 -0.0027 -0.0024 0.0031 13633 TYR 17 HD2 0.0019 -0.0009 0.0010 13634 TYR 17 HE1 -0.0014 -0.0026 0.0060 13635 TYR 17 HE2 0.0031 -0.0011 0.0038 13636 TYR 17 HH 0.0018 -0.0021 0.0073 13637 GLY 18 N -0.0051 -0.0020 -0.0020 13638 GLY 18 CA -0.0064 -0.0020 -0.0034 13639 GLY 18 C -0.0066 -0.0020 -0.0041 13640 GLY 18 O -0.0079 -0.0021 -0.0050 13641 GLY 18 H -0.0054 -0.0023 -0.0009 13642 GLY 18 HA2 -0.0075 -0.0024 -0.0029 13643 GLY 18 HA3 -0.0060 -0.0018 -0.0044 13644 PHE 19 N -0.0034 -0.0013 -0.0030 13645 PHE 19 CA -0.0030 -0.0014 -0.0027 13646 PHE 19 C -0.0029 -0.0010 -0.0024 13647 PHE 19 O -0.0030 -0.0007 -0.0023 13648 PHE 19 CB -0.0027 -0.0018 -0.0027 13649 PHE 19 CG -0.0025 -0.0017 -0.0025 13650 PHE 19 CD1 -0.0028 -0.0016 -0.0026 13651 PHE 19 CD2 -0.0022 -0.0016 -0.0022 13652 PHE 19 CE1 -0.0026 -0.0014 -0.0024 13653 PHE 19 CE2 -0.0020 -0.0015 -0.0020 13654 PHE 19 CZ -0.0022 -0.0014 -0.0021 13655 PHE 19 H -0.0034 -0.0014 -0.0030 13656 PHE 19 HA -0.0031 -0.0016 -0.0028 13657 PHE 19 HB2 -0.0025 -0.0019 -0.0026 13658 PHE 19 HB3 -0.0028 -0.0021 -0.0029 13659 PHE 19 HD1 -0.0031 -0.0016 -0.0028 13660 PHE 19 HD2 -0.0020 -0.0017 -0.0021 13661 PHE 19 HE1 -0.0028 -0.0013 -0.0025 13662 PHE 19 HE2 -0.0017 -0.0015 -0.0017 13663 PHE 19 HZ -0.0021 -0.0013 -0.0019 13664 THR 20 N -0.0027 -0.0011 -0.0022 13665 THR 20 CA -0.0025 -0.0007 -0.0019 13666 THR 20 C -0.0021 -0.0008 -0.0016 13667 THR 20 O -0.0018 -0.0011 -0.0016 13668 THR 20 CB -0.0025 -0.0007 -0.0019 13669 THR 20 OG1 -0.0029 -0.0006 -0.0021 13670 THR 20 CG2 -0.0024 -0.0003 -0.0015 13671 THR 20 H -0.0026 -0.0013 -0.0023 13672 THR 20 HA -0.0027 -0.0004 -0.0019 13673 THR 20 HB -0.0023 -0.0010 -0.0019 13674 THR 20 HG1 -0.0031 -0.0007 -0.0023 13675 THR 20 HG21 -0.0026 -0.0000 -0.0015 13676 THR 20 HG22 -0.0021 -0.0003 -0.0013 13677 THR 20 HG23 -0.0023 -0.0004 -0.0015 13678 LEU 21 N -0.0020 -0.0005 -0.0014 13679 LEU 21 CA -0.0016 -0.0006 -0.0011 13680 LEU 21 C -0.0014 -0.0003 -0.0008 13681 LEU 21 O -0.0014 0.0001 -0.0006 13682 LEU 21 CB -0.0016 -0.0004 -0.0010 13683 LEU 21 CG -0.0013 -0.0007 -0.0009 13684 LEU 21 CD1 -0.0011 -0.0011 -0.0010 13685 LEU 21 CD2 -0.0014 -0.0008 -0.0011 13686 LEU 21 H -0.0023 -0.0003 -0.0014 13687 LEU 21 HA -0.0014 -0.0009 -0.0012 13688 LEU 21 HB2 -0.0019 -0.0004 -0.0012 13689 LEU 21 HB3 -0.0016 -0.0001 -0.0008 13690 LEU 21 HG -0.0011 -0.0005 -0.0007 13691 LEU 21 HD11 -0.0009 -0.0013 -0.0010 13692 LEU 21 HD12 -0.0013 -0.0013 -0.0013 13693 LEU 21 HD13 -0.0009 -0.0011 -0.0009 13694 LEU 21 HD21 -0.0017 -0.0009 -0.0013 13695 LEU 21 HD22 -0.0012 -0.0009 -0.0010 13696 LEU 21 HD23 -0.0016 -0.0004 -0.0010 13697 ARG 22 N -0.0013 -0.0005 -0.0008 13698 ARG 22 CA -0.0010 -0.0003 -0.0005 13699 ARG 22 C -0.0007 -0.0003 -0.0002 13700 ARG 22 O -0.0004 -0.0006 -0.0002 13701 ARG 22 CB -0.0010 -0.0005 -0.0006 13702 ARG 22 CG -0.0010 -0.0002 -0.0005 13703 ARG 22 CD -0.0015 -0.0001 -0.0007 13704 ARG 22 NE -0.0016 0.0001 -0.0007 13705 ARG 22 CZ -0.0020 0.0002 -0.0009 13706 ARG 22 NH1 -0.0023 0.0002 -0.0012 13707 ARG 22 NH2 -0.0020 0.0002 -0.0009 13708 ARG 22 H -0.0013 -0.0008 -0.0010 13709 ARG 22 HA -0.0012 0.0000 -0.0004 13710 ARG 22 HB2 -0.0011 -0.0008 -0.0008 13711 ARG 22 HB3 -0.0006 -0.0007 -0.0004 13712 ARG 22 HG2 -0.0009 -0.0004 -0.0005 13713 ARG 22 HG3 -0.0009 0.0000 -0.0002 13714 ARG 22 HD2 -0.0016 0.0002 -0.0006 13715 ARG 22 HD3 -0.0016 -0.0003 -0.0010 13716 ARG 22 HE -0.0014 0.0001 -0.0005 13717 ARG 22 HH11 -0.0022 0.0001 -0.0012 13718 ARG 22 HH12 -0.0025 0.0002 -0.0013 13719 ARG 22 HH21 -0.0018 0.0003 -0.0007 13720 ARG 22 HH22 -0.0023 0.0003 -0.0011 13721 ALA 23 N -0.0006 0.0001 0.0001 13722 ALA 23 CA -0.0002 0.0002 0.0004 13723 ALA 23 C 0.0001 0.0002 0.0007 13724 ALA 23 O -0.0000 0.0003 0.0007 13725 ALA 23 CB -0.0003 0.0006 0.0006 13726 ALA 23 H -0.0008 0.0004 0.0001 13727 ALA 23 HA -0.0001 -0.0001 0.0004 13728 ALA 23 HB1 -0.0004 0.0009 0.0007 13729 ALA 23 HB2 -0.0005 0.0006 0.0004 13730 ALA 23 HB3 -0.0000 0.0006 0.0008 13731 ILE 24 N 0.0005 -0.0001 0.0008 13732 ILE 24 CA 0.0008 -0.0001 0.0011 13733 ILE 24 C 0.0012 -0.0001 0.0014 13734 ILE 24 O 0.0012 0.0000 0.0014 13735 ILE 24 CB 0.0009 -0.0005 0.0009 13736 ILE 24 CG1 0.0009 -0.0009 0.0006 13737 ILE 24 CG2 0.0006 -0.0005 0.0007 13738 ILE 24 CD1 0.0012 -0.0013 0.0007 13739 ILE 24 H 0.0005 -0.0002 0.0008 13740 ILE 24 HA 0.0007 0.0002 0.0011 13741 ILE 24 HB 0.0012 -0.0006 0.0011 13742 ILE 24 HG12 0.0006 -0.0010 0.0004 13743 ILE 24 HG13 0.0009 -0.0008 0.0007 13744 ILE 24 HG21 0.0007 -0.0007 0.0006 13745 ILE 24 HG22 0.0003 -0.0004 0.0005 13746 ILE 24 HG23 0.0006 -0.0002 0.0009 13747 ILE 24 HD11 0.0015 -0.0013 0.0009 13748 ILE 24 HD12 0.0012 -0.0016 0.0005 13749 ILE 24 HD13 0.0012 -0.0014 0.0006 13750 ARG 25 N 0.0049 -0.0000 0.0025 13751 ARG 25 CA 0.0034 -0.0001 0.0014 13752 ARG 25 C 0.0029 -0.0004 0.0036 13753 ARG 25 O 0.0049 -0.0003 0.0048 13754 ARG 25 CB 0.0048 0.0004 -0.0010 13755 ARG 25 CG 0.0078 0.0007 -0.0006 13756 ARG 25 CD 0.0093 0.0012 -0.0031 13757 ARG 25 NE 0.0087 0.0014 -0.0054 13758 ARG 25 CZ 0.0074 0.0016 -0.0077 13759 ARG 25 NH1 0.0067 0.0015 -0.0080 13760 ARG 25 NH2 0.0070 0.0017 -0.0096 13761 ARG 25 H 0.0062 -0.0000 0.0039 13762 ARG 25 HA 0.0014 -0.0003 0.0007 13763 ARG 25 HB2 0.0039 0.0003 -0.0013 13764 ARG 25 HB3 0.0044 0.0005 -0.0027 13765 ARG 25 HG2 0.0085 0.0006 0.0011 13766 ARG 25 HG3 0.0083 0.0007 -0.0001 13767 ARG 25 HD2 0.0087 0.0012 -0.0036 13768 ARG 25 HD3 0.0114 0.0015 -0.0027 13769 ARG 25 HE 0.0092 0.0015 -0.0052 13770 ARG 25 HH11 0.0070 0.0014 -0.0065 13771 ARG 25 HH12 0.0057 0.0016 -0.0097 13772 ARG 25 HH21 0.0075 0.0018 -0.0094 13773 ARG 25 HH22 0.0060 0.0018 -0.0113 13774 VAL 26 N 0.0004 -0.0008 0.0042 13775 VAL 26 CA -0.0003 -0.0012 0.0062 13776 VAL 26 C -0.0004 -0.0010 0.0050 13777 VAL 26 O 0.0005 -0.0006 0.0028 13778 VAL 26 CB -0.0031 -0.0017 0.0075 13779 VAL 26 CG1 -0.0029 -0.0019 0.0093 13780 VAL 26 CG2 -0.0052 -0.0017 0.0053 13781 VAL 26 H -0.0010 -0.0009 0.0032 13782 VAL 26 HA 0.0012 -0.0012 0.0078 13783 VAL 26 HB -0.0037 -0.0019 0.0087 13784 VAL 26 HG11 -0.0022 -0.0017 0.0081 13785 VAL 26 HG12 -0.0015 -0.0019 0.0109 13786 VAL 26 HG13 -0.0049 -0.0023 0.0101 13787 VAL 26 HG21 -0.0055 -0.0016 0.0042 13788 VAL 26 HG22 -0.0046 -0.0015 0.0039 13789 VAL 26 HG23 -0.0071 -0.0021 0.0062 13790 TYR 27 N -0.0015 -0.0014 0.0065 13791 TYR 27 CA -0.0018 -0.0013 0.0055 13792 TYR 27 C -0.0041 -0.0018 0.0070 13793 TYR 27 O -0.0044 -0.0021 0.0095 13794 TYR 27 CB 0.0008 -0.0010 0.0060 13795 TYR 27 CG 0.0022 -0.0005 0.0034 13796 TYR 27 CD1 0.0039 -0.0001 0.0022 13797 TYR 27 CD2 0.0017 -0.0004 0.0022 13798 TYR 27 CE1 0.0052 0.0003 -0.0002 13799 TYR 27 CE2 0.0030 0.0000 -0.0002 13800 TYR 27 CZ 0.0047 0.0004 -0.0014 13801 TYR 27 OH 0.0060 0.0009 -0.0038 13802 TYR 27 H -0.0022 -0.0017 0.0083 13803 TYR 27 HA -0.0023 -0.0011 0.0034 13804 TYR 27 HB2 0.0022 -0.0010 0.0072 13805 TYR 27 HB3 0.0004 -0.0012 0.0071 13806 TYR 27 HD1 0.0043 -0.0002 0.0031 13807 TYR 27 HD2 0.0004 -0.0007 0.0031 13808 TYR 27 HE1 0.0066 0.0006 -0.0011 13809 TYR 27 HE2 0.0026 0.0001 -0.0011 13810 TYR 27 HH 0.0047 0.0009 -0.0050 13811 MET 28 N -0.0058 -0.0018 0.0056 13812 MET 28 CA -0.0081 -0.0023 0.0068 13813 MET 28 C -0.0081 -0.0022 0.0065 13814 MET 28 O -0.0084 -0.0020 0.0042 13815 MET 28 CB -0.0107 -0.0025 0.0056 13816 MET 28 CG -0.0110 -0.0025 0.0058 13817 MET 28 SD -0.0109 -0.0029 0.0092 13818 MET 28 CE -0.0115 -0.0030 0.0086 13819 MET 28 H -0.0055 -0.0015 0.0036 13820 MET 28 HA -0.0081 -0.0025 0.0089 13821 MET 28 HB2 -0.0108 -0.0022 0.0035 13822 MET 28 HB3 -0.0124 -0.0028 0.0066 13823 MET 28 HG2 -0.0093 -0.0022 0.0047 13824 MET 28 HG3 -0.0128 -0.0027 0.0048 13825 MET 28 HE1 -0.0134 -0.0031 0.0077 13826 MET 28 HE2 -0.0100 -0.0026 0.0074 13827 MET 28 HE3 -0.0115 -0.0032 0.0106 13828 GLY 29 N -0.0078 -0.0025 0.0087 13829 GLY 29 CA -0.0078 -0.0025 0.0087 13830 GLY 29 C -0.0052 -0.0020 0.0077 13831 GLY 29 O -0.0031 -0.0017 0.0078 13832 GLY 29 H -0.0075 -0.0027 0.0104 13833 GLY 29 HA2 -0.0081 -0.0028 0.0107 13834 GLY 29 HA3 -0.0095 -0.0025 0.0074 13835 ASP 30 N -0.0054 -0.0019 0.0067 13836 ASP 30 CA -0.0031 -0.0015 0.0056 13837 ASP 30 C -0.0029 -0.0011 0.0026 13838 ASP 30 O -0.0008 -0.0007 0.0014 13839 ASP 30 CB -0.0034 -0.0016 0.0061 13840 ASP 30 CG -0.0024 -0.0018 0.0089 13841 ASP 30 OD1 -0.0041 -0.0022 0.0108 13842 ASP 30 OD2 -0.0000 -0.0015 0.0092 13843 ASP 30 H -0.0072 -0.0022 0.0067 13844 ASP 30 HA -0.0013 -0.0014 0.0066 13845 ASP 30 HB2 -0.0055 -0.0018 0.0059 13846 ASP 30 HB3 -0.0022 -0.0012 0.0047 13847 SER 31 N -0.0069 -0.0002 -0.0038 13848 SER 31 CA -0.0068 -0.0002 -0.0064 13849 SER 31 C -0.0049 -0.0004 -0.0064 13850 SER 31 O -0.0043 -0.0005 -0.0043 13851 SER 31 CB -0.0096 0.0001 -0.0072 13852 SER 31 OG -0.0114 0.0003 -0.0073 13853 SER 31 H -0.0084 -0.0001 -0.0027 13854 SER 31 HA -0.0061 -0.0002 -0.0078 13855 SER 31 HB2 -0.0104 0.0002 -0.0058 13856 SER 31 HB3 -0.0096 0.0001 -0.0092 13857 SER 31 HG -0.0104 0.0002 -0.0079 13858 ASP 32 N -0.0041 -0.0004 -0.0088 13859 ASP 32 CA -0.0022 -0.0006 -0.0091 13860 ASP 32 C -0.0036 -0.0005 -0.0088 13861 ASP 32 O -0.0026 -0.0006 -0.0097 13862 ASP 32 CB -0.0007 -0.0008 -0.0117 13863 ASP 32 CG 0.0023 -0.0011 -0.0114 13864 ASP 32 OD1 0.0030 -0.0012 -0.0116 13865 ASP 32 OD2 0.0039 -0.0013 -0.0108 13866 ASP 32 H -0.0047 -0.0004 -0.0104 13867 ASP 32 HA -0.0008 -0.0008 -0.0074 13868 ASP 32 HB2 -0.0008 -0.0007 -0.0125 13869 ASP 32 HB3 -0.0015 -0.0007 -0.0131 13870 VAL 33 N -0.0060 -0.0003 -0.0076 13871 VAL 33 CA -0.0075 -0.0001 -0.0073 13872 VAL 33 C -0.0064 -0.0002 -0.0048 13873 VAL 33 O -0.0061 -0.0003 -0.0027 13874 VAL 33 CB -0.0105 0.0002 -0.0070 13875 VAL 33 CG1 -0.0111 0.0003 -0.0048 13876 VAL 33 CG2 -0.0120 0.0004 -0.0065 13877 VAL 33 H -0.0067 -0.0002 -0.0069 13878 VAL 33 HA -0.0072 -0.0001 -0.0090 13879 VAL 33 HB -0.0112 0.0003 -0.0089 13880 VAL 33 HG11 -0.0098 0.0001 -0.0031 13881 VAL 33 HG12 -0.0107 0.0002 -0.0055 13882 VAL 33 HG13 -0.0132 0.0005 -0.0042 13883 VAL 33 HG21 -0.0112 0.0003 -0.0047 13884 VAL 33 HG22 -0.0141 0.0006 -0.0061 13885 VAL 33 HG23 -0.0118 0.0004 -0.0082 13886 TYR 34 N -0.0059 -0.0003 -0.0053 13887 TYR 34 CA -0.0049 -0.0004 -0.0031 13888 TYR 34 C -0.0060 -0.0003 -0.0035 13889 TYR 34 O -0.0067 -0.0002 -0.0057 13890 TYR 34 CB -0.0019 -0.0007 -0.0031 13891 TYR 34 CG -0.0006 -0.0009 -0.0056 13892 TYR 34 CD1 0.0000 -0.0009 -0.0058 13893 TYR 34 CD2 0.0001 -0.0009 -0.0078 13894 TYR 34 CE1 0.0012 -0.0010 -0.0081 13895 TYR 34 CE2 0.0013 -0.0010 -0.0101 13896 TYR 34 CZ 0.0018 -0.0011 -0.0102 13897 TYR 34 OH 0.0031 -0.0011 -0.0125 13898 TYR 34 H -0.0063 -0.0002 -0.0070 13899 TYR 34 HA -0.0057 -0.0004 -0.0013 13900 TYR 34 HB2 -0.0012 -0.0008 -0.0014 13901 TYR 34 HB3 -0.0012 -0.0008 -0.0029 13902 TYR 34 HD1 -0.0005 -0.0009 -0.0042 13903 TYR 34 HD2 -0.0004 -0.0008 -0.0076 13904 TYR 34 HE1 0.0017 -0.0011 -0.0082 13905 TYR 34 HE2 0.0018 -0.0010 -0.0117 13906 TYR 34 HH 0.0025 -0.0011 -0.0140 13907 THR 35 N -0.0061 -0.0003 -0.0013 13908 THR 35 CA -0.0070 -0.0002 -0.0014 13909 THR 35 C -0.0048 -0.0005 -0.0007 13910 THR 35 O -0.0034 -0.0006 0.0014 13911 THR 35 CB -0.0094 0.0000 0.0005 13912 THR 35 OG1 -0.0098 0.0000 0.0021 13913 THR 35 CG2 -0.0119 0.0003 -0.0011 13914 THR 35 H -0.0055 -0.0004 0.0004 13915 THR 35 HA -0.0076 -0.0001 -0.0034 13916 THR 35 HB -0.0090 -0.0001 0.0017 13917 THR 35 HG1 -0.0111 0.0002 0.0012 13918 THR 35 HG21 -0.0117 0.0003 -0.0023 13919 THR 35 HG22 -0.0136 0.0005 0.0002 13920 THR 35 HG23 -0.0123 0.0004 -0.0025 13921 VAL 36 N -0.0044 -0.0005 -0.0023 13922 VAL 36 CA -0.0023 -0.0007 -0.0018 13923 VAL 36 C -0.0034 -0.0006 0.0002 13924 VAL 36 O -0.0050 -0.0004 -0.0005 13925 VAL 36 CB -0.0014 -0.0008 -0.0044 13926 VAL 36 CG1 0.0011 -0.0011 -0.0039 13927 VAL 36 CG2 -0.0010 -0.0008 -0.0067 13928 VAL 36 H -0.0055 -0.0004 -0.0040 13929 VAL 36 HA -0.0006 -0.0009 -0.0009 13930 VAL 36 HB -0.0030 -0.0006 -0.0050 13931 VAL 36 HG11 0.0007 -0.0010 -0.0024 13932 VAL 36 HG12 0.0017 -0.0011 -0.0058 13933 VAL 36 HG13 0.0027 -0.0012 -0.0033 13934 VAL 36 HG21 -0.0029 -0.0006 -0.0072 13935 VAL 36 HG22 0.0003 -0.0009 -0.0060 13936 VAL 36 HG23 -0.0002 -0.0009 -0.0084 13937 HIS 37 N -0.0010 -0.0009 0.0001 13938 HIS 37 CA -0.0011 -0.0011 -0.0002 13939 HIS 37 C -0.0013 -0.0008 -0.0005 13940 HIS 37 O -0.0013 -0.0005 -0.0004 13941 HIS 37 CB -0.0010 -0.0013 -0.0001 13942 HIS 37 CG -0.0009 -0.0016 0.0001 13943 HIS 37 ND1 -0.0009 -0.0020 -0.0000 13944 HIS 37 CD2 -0.0008 -0.0017 0.0005 13945 HIS 37 CE1 -0.0008 -0.0022 0.0003 13946 HIS 37 NE2 -0.0007 -0.0020 0.0006 13947 HIS 37 H -0.0010 -0.0007 0.0003 13948 HIS 37 HA -0.0011 -0.0013 -0.0003 13949 HIS 37 HB2 -0.0010 -0.0011 0.0001 13950 HIS 37 HB3 -0.0011 -0.0014 -0.0003 13951 HIS 37 HD2 -0.0008 -0.0015 0.0007 13952 HIS 37 HE1 -0.0007 -0.0025 0.0002 13953 HIS 37 HE2 -0.0006 -0.0021 0.0008 13954 HIS 38 N -0.0013 -0.0009 -0.0007 13955 HIS 38 CA -0.0015 -0.0007 -0.0010 13956 HIS 38 C -0.0015 -0.0009 -0.0012 13957 HIS 38 O -0.0014 -0.0012 -0.0011 13958 HIS 38 CB -0.0016 -0.0007 -0.0013 13959 HIS 38 CG -0.0015 -0.0005 -0.0012 13960 HIS 38 ND1 -0.0016 -0.0001 -0.0011 13961 HIS 38 CD2 -0.0015 -0.0006 -0.0011 13962 HIS 38 CE1 -0.0016 -0.0000 -0.0010 13963 HIS 38 NE2 -0.0015 -0.0004 -0.0010 13964 HIS 38 H -0.0013 -0.0012 -0.0008 13965 HIS 38 HA -0.0015 -0.0004 -0.0009 13966 HIS 38 HB2 -0.0015 -0.0009 -0.0015 13967 HIS 38 HB3 -0.0017 -0.0005 -0.0015 13968 HIS 38 HD2 -0.0015 -0.0009 -0.0012 13969 HIS 38 HE1 -0.0016 0.0002 -0.0009 13970 HIS 38 HE2 -0.0015 -0.0004 -0.0009 13971 MET 39 N -0.0016 -0.0007 -0.0014 13972 MET 39 CA -0.0016 -0.0008 -0.0016 13973 MET 39 C -0.0018 -0.0006 -0.0019 13974 MET 39 O -0.0018 -0.0003 -0.0019 13975 MET 39 CB -0.0015 -0.0008 -0.0013 13976 MET 39 CG -0.0014 -0.0012 -0.0012 13977 MET 39 SD -0.0013 -0.0011 -0.0009 13978 MET 39 CE -0.0012 -0.0009 -0.0005 13979 MET 39 H -0.0016 -0.0004 -0.0015 13980 MET 39 HA -0.0016 -0.0011 -0.0017 13981 MET 39 HB2 -0.0015 -0.0006 -0.0011 13982 MET 39 HB3 -0.0016 -0.0006 -0.0014 13983 MET 39 HG2 -0.0015 -0.0013 -0.0014 13984 MET 39 HG3 -0.0013 -0.0013 -0.0011 13985 MET 39 HE1 -0.0013 -0.0006 -0.0005 13986 MET 39 HE2 -0.0012 -0.0011 -0.0004 13987 MET 39 HE3 -0.0012 -0.0009 -0.0003 13988 VAL 40 N -0.0018 -0.0008 -0.0022 13989 VAL 40 CA -0.0019 -0.0007 -0.0025 13990 VAL 40 C -0.0020 -0.0005 -0.0025 13991 VAL 40 O -0.0019 -0.0006 -0.0025 13992 VAL 40 CB -0.0020 -0.0009 -0.0029 13993 VAL 40 CG1 -0.0019 -0.0013 -0.0028 13994 VAL 40 CG2 -0.0021 -0.0008 -0.0032 13995 VAL 40 H -0.0017 -0.0011 -0.0022 13996 VAL 40 HA -0.0020 -0.0005 -0.0026 13997 VAL 40 HB -0.0020 -0.0010 -0.0029 13998 VAL 40 HG11 -0.0019 -0.0013 -0.0029 13999 VAL 40 HG12 -0.0018 -0.0013 -0.0025 14000 VAL 40 HG13 -0.0019 -0.0015 -0.0029 14001 VAL 40 HG21 -0.0022 -0.0005 -0.0032 14002 VAL 40 HG22 -0.0021 -0.0008 -0.0032 14003 VAL 40 HG23 -0.0022 -0.0009 -0.0034 14004 TRP 41 N -0.0020 -0.0001 -0.0024 14005 TRP 41 CA -0.0020 0.0001 -0.0023 14006 TRP 41 C -0.0021 0.0002 -0.0027 14007 TRP 41 O -0.0021 0.0002 -0.0026 14008 TRP 41 CB -0.0021 0.0005 -0.0022 14009 TRP 41 CG -0.0020 0.0007 -0.0019 14010 TRP 41 CD1 -0.0021 0.0011 -0.0019 14011 TRP 41 CD2 -0.0019 0.0006 -0.0016 14012 TRP 41 NE1 -0.0020 0.0012 -0.0016 14013 TRP 41 CE2 -0.0019 0.0009 -0.0014 14014 TRP 41 CE3 -0.0018 0.0002 -0.0015 14015 TRP 41 CZ2 -0.0018 0.0008 -0.0011 14016 TRP 41 CZ3 -0.0016 0.0002 -0.0011 14017 TRP 41 CH2 -0.0016 0.0005 -0.0010 14018 TRP 41 H -0.0020 0.0000 -0.0024 14019 TRP 41 HA -0.0019 0.0000 -0.0021 14020 TRP 41 HB2 -0.0020 0.0005 -0.0021 14021 TRP 41 HB3 -0.0022 0.0007 -0.0025 14022 TRP 41 HD1 -0.0022 0.0013 -0.0022 14023 TRP 41 HE1 -0.0020 0.0014 -0.0016 14024 TRP 41 HE3 -0.0018 0.0000 -0.0016 14025 TRP 41 HZ2 -0.0018 0.0010 -0.0010 14026 TRP 41 HZ3 -0.0016 -0.0001 -0.0010 14027 TRP 41 HH2 -0.0016 0.0004 -0.0007 14028 HIS 42 N -0.0023 0.0002 -0.0030 14029 HIS 42 CA -0.0024 0.0003 -0.0033 14030 HIS 42 C -0.0024 0.0001 -0.0036 14031 HIS 42 O -0.0025 0.0002 -0.0037 14032 HIS 42 CB -0.0025 0.0007 -0.0034 14033 HIS 42 CG -0.0025 0.0007 -0.0035 14034 HIS 42 ND1 -0.0025 0.0009 -0.0034 14035 HIS 42 CD2 -0.0026 0.0007 -0.0039 14036 HIS 42 CE1 -0.0026 0.0009 -0.0036 14037 HIS 42 NE2 -0.0027 0.0008 -0.0039 14038 HIS 42 H -0.0023 0.0002 -0.0030 14039 HIS 42 HA -0.0023 0.0001 -0.0033 14040 HIS 42 HB2 -0.0024 0.0008 -0.0031 14041 HIS 42 HB3 -0.0025 0.0008 -0.0035 14042 HIS 42 HD2 -0.0027 0.0005 -0.0041 14043 HIS 42 HE1 -0.0026 0.0011 -0.0036 14044 HIS 42 HE2 -0.0027 0.0007 -0.0041 14045 VAL 43 N -0.0056 0.0002 -0.0065 14046 VAL 43 CA -0.0048 0.0001 -0.0063 14047 VAL 43 C -0.0057 0.0002 -0.0076 14048 VAL 43 O -0.0059 0.0002 -0.0091 14049 VAL 43 CB -0.0028 -0.0002 -0.0066 14050 VAL 43 CG1 -0.0024 -0.0002 -0.0082 14051 VAL 43 CG2 -0.0020 -0.0003 -0.0066 14052 VAL 43 H -0.0056 0.0001 -0.0077 14053 VAL 43 HA -0.0051 0.0002 -0.0050 14054 VAL 43 HB -0.0023 -0.0002 -0.0054 14055 VAL 43 HG11 -0.0027 -0.0002 -0.0080 14056 VAL 43 HG12 -0.0010 -0.0004 -0.0085 14057 VAL 43 HG13 -0.0031 -0.0002 -0.0093 14058 VAL 43 HG21 -0.0022 -0.0002 -0.0053 14059 VAL 43 HG22 -0.0028 -0.0002 -0.0076 14060 VAL 43 HG23 -0.0007 -0.0004 -0.0070 14061 GLU 44 N -0.0063 0.0002 -0.0068 14062 GLU 44 CA -0.0071 0.0003 -0.0078 14063 GLU 44 C -0.0060 0.0002 -0.0092 14064 GLU 44 O -0.0046 0.0000 -0.0088 14065 GLU 44 CB -0.0078 0.0004 -0.0065 14066 GLU 44 CG -0.0098 0.0007 -0.0062 14067 GLU 44 CD -0.0103 0.0008 -0.0046 14068 GLU 44 OE1 -0.0095 0.0007 -0.0042 14069 GLU 44 OE2 -0.0116 0.0010 -0.0037 14070 GLU 44 H -0.0060 0.0002 -0.0055 14071 GLU 44 HA -0.0083 0.0005 -0.0084 14072 GLU 44 HB2 -0.0071 0.0004 -0.0052 14073 GLU 44 HB3 -0.0074 0.0004 -0.0070 14074 GLU 44 HG2 -0.0104 0.0007 -0.0073 14075 GLU 44 HG3 -0.0102 0.0007 -0.0060 14076 ASP 45 N -0.0064 0.0002 -0.0109 14077 ASP 45 CA -0.0054 0.0000 -0.0124 14078 ASP 45 C -0.0059 0.0001 -0.0128 14079 ASP 45 O -0.0060 0.0001 -0.0143 14080 ASP 45 CB -0.0058 0.0000 -0.0140 14081 ASP 45 CG -0.0077 0.0002 -0.0146 14082 ASP 45 OD1 -0.0089 0.0004 -0.0136 14083 ASP 45 OD2 -0.0081 0.0002 -0.0161 14084 ASP 45 H -0.0075 0.0003 -0.0111 14085 ASP 45 HA -0.0041 -0.0001 -0.0120 14086 ASP 45 HB2 -0.0050 -0.0001 -0.0151 14087 ASP 45 HB3 -0.0054 -0.0000 -0.0137 14088 GLY 46 N -0.0062 0.0001 -0.0113 14089 GLY 46 CA -0.0067 0.0002 -0.0116 14090 GLY 46 C -0.0054 0.0001 -0.0107 14091 GLY 46 O -0.0058 0.0001 -0.0105 14092 GLY 46 H -0.0060 0.0001 -0.0102 14093 GLY 46 HA2 -0.0067 0.0002 -0.0130 14094 GLY 46 HA3 -0.0080 0.0004 -0.0110 14095 GLY 47 N -0.0039 -0.0001 -0.0101 14096 GLY 47 CA -0.0026 -0.0002 -0.0093 14097 GLY 47 C -0.0013 -0.0004 -0.0081 14098 GLY 47 O 0.0003 -0.0006 -0.0084 14099 GLY 47 H -0.0036 -0.0002 -0.0103 14100 GLY 47 HA2 -0.0019 -0.0003 -0.0103 14101 GLY 47 HA3 -0.0034 -0.0001 -0.0086 14102 PRO 48 N -0.0019 -0.0003 -0.0066 14103 PRO 48 CA -0.0007 -0.0004 -0.0053 14104 PRO 48 C 0.0006 -0.0005 -0.0059 14105 PRO 48 O 0.0014 -0.0007 -0.0073 14106 PRO 48 CB -0.0020 -0.0002 -0.0039 14107 PRO 48 CG -0.0036 -0.0000 -0.0041 14108 PRO 48 CD -0.0037 -0.0000 -0.0061 14109 PRO 48 HA 0.0001 -0.0005 -0.0046 14110 PRO 48 HB2 -0.0022 -0.0002 -0.0042 14111 PRO 48 HB3 -0.0014 -0.0002 -0.0026 14112 PRO 48 HG2 -0.0047 0.0001 -0.0036 14113 PRO 48 HG3 -0.0034 -0.0000 -0.0034 14114 PRO 48 HD2 -0.0043 0.0000 -0.0067 14115 PRO 48 HD3 -0.0045 0.0000 -0.0063 14116 ALA 49 N -0.0007 0.0006 -0.0053 14117 ALA 49 CA -0.0001 0.0005 -0.0055 14118 ALA 49 C -0.0000 0.0008 -0.0071 14119 ALA 49 O 0.0010 0.0007 -0.0075 14120 ALA 49 CB -0.0008 0.0005 -0.0045 14121 ALA 49 H -0.0014 0.0005 -0.0045 14122 ALA 49 HA 0.0010 0.0003 -0.0052 14123 ALA 49 HB1 0.0000 0.0002 -0.0040 14124 ALA 49 HB2 -0.0015 0.0007 -0.0051 14125 ALA 49 HB3 -0.0015 0.0004 -0.0037 14126 SER 50 N -0.0011 0.0011 -0.0079 14127 SER 50 CA -0.0012 0.0014 -0.0094 14128 SER 50 C 0.0001 0.0013 -0.0103 14129 SER 50 O 0.0010 0.0013 -0.0109 14130 SER 50 CB -0.0026 0.0017 -0.0101 14131 SER 50 OG -0.0036 0.0019 -0.0100 14132 SER 50 H -0.0019 0.0012 -0.0075 14133 SER 50 HA -0.0011 0.0014 -0.0094 14134 SER 50 HB2 -0.0031 0.0017 -0.0095 14135 SER 50 HB3 -0.0024 0.0019 -0.0112 14136 SER 50 HG -0.0030 0.0018 -0.0103 14137 GLU 51 N 0.0002 0.0013 -0.0104 14138 GLU 51 CA 0.0013 0.0013 -0.0113 14139 GLU 51 C 0.0028 0.0010 -0.0107 14140 GLU 51 O 0.0039 0.0009 -0.0114 14141 GLU 51 CB 0.0011 0.0014 -0.0113 14142 GLU 51 CG -0.0004 0.0017 -0.0119 14143 GLU 51 CD -0.0003 0.0019 -0.0131 14144 GLU 51 OE1 -0.0001 0.0021 -0.0144 14145 GLU 51 OE2 -0.0005 0.0019 -0.0129 14146 GLU 51 H -0.0005 0.0014 -0.0099 14147 GLU 51 HA 0.0013 0.0015 -0.0124 14148 GLU 51 HB2 0.0011 0.0012 -0.0103 14149 GLU 51 HB3 0.0019 0.0014 -0.0121 14150 GLU 51 HG2 -0.0009 0.0018 -0.0122 14151 GLU 51 HG3 -0.0011 0.0016 -0.0110 14152 ALA 52 N 0.0028 0.0007 -0.0092 14153 ALA 52 CA 0.0041 0.0004 -0.0085 14154 ALA 52 C 0.0047 0.0004 -0.0090 14155 ALA 52 O 0.0060 0.0002 -0.0090 14156 ALA 52 CB 0.0038 0.0001 -0.0069 14157 ALA 52 H 0.0019 0.0008 -0.0087 14158 ALA 52 HA 0.0048 0.0003 -0.0087 14159 ALA 52 HB1 0.0033 0.0002 -0.0065 14160 ALA 52 HB2 0.0047 -0.0001 -0.0063 14161 ALA 52 HB3 0.0030 0.0002 -0.0066 14162 GLY 53 N 0.0038 0.0006 -0.0095 14163 GLY 53 CA 0.0043 0.0006 -0.0100 14164 GLY 53 C 0.0035 0.0006 -0.0093 14165 GLY 53 O 0.0037 0.0007 -0.0098 14166 GLY 53 H 0.0028 0.0008 -0.0095 14167 GLY 53 HA2 0.0042 0.0008 -0.0111 14168 GLY 53 HA3 0.0054 0.0004 -0.0097 14169 LEU 54 N 0.0026 0.0006 -0.0082 14170 LEU 54 CA 0.0017 0.0006 -0.0075 14171 LEU 54 C 0.0006 0.0009 -0.0086 14172 LEU 54 O -0.0004 0.0012 -0.0090 14173 LEU 54 CB 0.0009 0.0005 -0.0062 14174 LEU 54 CG 0.0004 0.0004 -0.0051 14175 LEU 54 CD1 -0.0000 0.0002 -0.0037 14176 LEU 54 CD2 -0.0009 0.0007 -0.0057 14177 LEU 54 H 0.0025 0.0005 -0.0079 14178 LEU 54 HA 0.0024 0.0004 -0.0072 14179 LEU 54 HB2 0.0017 0.0003 -0.0056 14180 LEU 54 HB3 0.0000 0.0007 -0.0065 14181 LEU 54 HG 0.0012 0.0002 -0.0049 14182 LEU 54 HD11 0.0009 -0.0000 -0.0032 14183 LEU 54 HD12 -0.0004 0.0001 -0.0029 14184 LEU 54 HD13 -0.0009 0.0003 -0.0038 14185 LEU 54 HD21 -0.0017 0.0009 -0.0060 14186 LEU 54 HD22 -0.0013 0.0006 -0.0049 14187 LEU 54 HD23 -0.0005 0.0008 -0.0066 14188 ARG 55 N 0.0001 0.0009 -0.0040 14189 ARG 55 CA -0.0001 0.0010 -0.0040 14190 ARG 55 C -0.0003 0.0011 -0.0038 14191 ARG 55 O -0.0002 0.0011 -0.0036 14192 ARG 55 CB 0.0000 0.0009 -0.0041 14193 ARG 55 CG 0.0002 0.0008 -0.0039 14194 ARG 55 CD 0.0000 0.0009 -0.0037 14195 ARG 55 NE 0.0000 0.0009 -0.0038 14196 ARG 55 CZ -0.0000 0.0009 -0.0037 14197 ARG 55 NH1 -0.0000 0.0009 -0.0035 14198 ARG 55 NH2 -0.0000 0.0010 -0.0039 14199 ARG 55 H 0.0002 0.0008 -0.0039 14200 ARG 55 HA -0.0002 0.0011 -0.0042 14201 ARG 55 HB2 -0.0001 0.0010 -0.0041 14202 ARG 55 HB3 0.0001 0.0009 -0.0043 14203 ARG 55 HG2 0.0003 0.0007 -0.0039 14204 ARG 55 HG3 0.0002 0.0008 -0.0037 14205 ARG 55 HD2 0.0001 0.0008 -0.0035 14206 ARG 55 HD3 -0.0001 0.0010 -0.0036 14207 ARG 55 HE 0.0000 0.0009 -0.0040 14208 ARG 55 HH11 0.0000 0.0009 -0.0033 14209 ARG 55 HH12 -0.0000 0.0009 -0.0034 14210 ARG 55 HH21 -0.0000 0.0010 -0.0041 14211 ARG 55 HH22 -0.0001 0.0010 -0.0038 14212 GLN 56 N -0.0004 0.0013 -0.0039 14213 GLN 56 CA -0.0006 0.0014 -0.0037 14214 GLN 56 C -0.0006 0.0014 -0.0035 14215 GLN 56 O -0.0006 0.0014 -0.0036 14216 GLN 56 CB -0.0008 0.0016 -0.0038 14217 GLN 56 CG -0.0010 0.0018 -0.0036 14218 GLN 56 CD -0.0012 0.0019 -0.0038 14219 GLN 56 OE1 -0.0012 0.0019 -0.0039 14220 GLN 56 NE2 -0.0014 0.0021 -0.0037 14221 GLN 56 H -0.0005 0.0014 -0.0041 14222 GLN 56 HA -0.0006 0.0014 -0.0035 14223 GLN 56 HB2 -0.0008 0.0016 -0.0039 14224 GLN 56 HB3 -0.0008 0.0016 -0.0039 14225 GLN 56 HG2 -0.0010 0.0018 -0.0036 14226 GLN 56 HG3 -0.0010 0.0017 -0.0035 14227 GLN 56 HE21 -0.0014 0.0021 -0.0036 14228 GLN 56 HE22 -0.0015 0.0022 -0.0038 14229 GLY 57 N -0.0007 0.0014 -0.0033 14230 GLY 57 CA -0.0007 0.0014 -0.0031 14231 GLY 57 C -0.0004 0.0012 -0.0030 14232 GLY 57 O -0.0004 0.0011 -0.0031 14233 GLY 57 H -0.0007 0.0014 -0.0032 14234 GLY 57 HA2 -0.0008 0.0015 -0.0029 14235 GLY 57 HA3 -0.0007 0.0014 -0.0032 14236 ASP 58 N -0.0003 0.0011 -0.0029 14237 ASP 58 CA -0.0001 0.0009 -0.0028 14238 ASP 58 C -0.0001 0.0009 -0.0026 14239 ASP 58 O -0.0003 0.0010 -0.0025 14240 ASP 58 CB 0.0000 0.0008 -0.0030 14241 ASP 58 CG 0.0002 0.0006 -0.0030 14242 ASP 58 OD1 0.0003 0.0006 -0.0028 14243 ASP 58 OD2 0.0003 0.0006 -0.0032 14244 ASP 58 H -0.0004 0.0012 -0.0029 14245 ASP 58 HA -0.0001 0.0009 -0.0028 14246 ASP 58 HB2 -0.0000 0.0009 -0.0032 14247 ASP 58 HB3 0.0000 0.0008 -0.0029 14248 LEU 59 N -0.0000 0.0007 -0.0024 14249 LEU 59 CA 0.0000 0.0007 -0.0021 14250 LEU 59 C 0.0002 0.0006 -0.0021 14251 LEU 59 O 0.0003 0.0004 -0.0022 14252 LEU 59 CB 0.0001 0.0006 -0.0020 14253 LEU 59 CG 0.0001 0.0005 -0.0017 14254 LEU 59 CD1 -0.0000 0.0007 -0.0015 14255 LEU 59 CD2 0.0002 0.0004 -0.0016 14256 LEU 59 H 0.0001 0.0007 -0.0025 14257 LEU 59 HA -0.0001 0.0008 -0.0021 14258 LEU 59 HB2 -0.0001 0.0007 -0.0019 14259 LEU 59 HB3 0.0002 0.0005 -0.0021 14260 LEU 59 HG 0.0002 0.0004 -0.0017 14261 LEU 59 HD11 -0.0001 0.0007 -0.0016 14262 LEU 59 HD12 0.0000 0.0006 -0.0013 14263 LEU 59 HD13 -0.0002 0.0008 -0.0015 14264 LEU 59 HD21 0.0001 0.0005 -0.0016 14265 LEU 59 HD22 0.0003 0.0004 -0.0014 14266 LEU 59 HD23 0.0004 0.0003 -0.0017 14267 ILE 60 N 0.0001 0.0006 -0.0020 14268 ILE 60 CA 0.0003 0.0005 -0.0020 14269 ILE 60 C 0.0004 0.0003 -0.0017 14270 ILE 60 O 0.0003 0.0004 -0.0015 14271 ILE 60 CB 0.0001 0.0006 -0.0019 14272 ILE 60 CG1 0.0000 0.0007 -0.0022 14273 ILE 60 CG2 0.0003 0.0004 -0.0019 14274 ILE 60 CD1 -0.0002 0.0009 -0.0022 14275 ILE 60 H -0.0000 0.0007 -0.0019 14276 ILE 60 HA 0.0004 0.0004 -0.0021 14277 ILE 60 HB 0.0000 0.0006 -0.0018 14278 ILE 60 HG12 0.0000 0.0007 -0.0022 14279 ILE 60 HG13 0.0001 0.0006 -0.0023 14280 ILE 60 HG21 0.0002 0.0005 -0.0018 14281 ILE 60 HG22 0.0004 0.0004 -0.0020 14282 ILE 60 HG23 0.0004 0.0004 -0.0017 14283 ILE 60 HD11 -0.0003 0.0009 -0.0020 14284 ILE 60 HD12 -0.0001 0.0008 -0.0023 14285 ILE 60 HD13 -0.0002 0.0009 -0.0024 14286 THR 61 N -0.0001 0.0025 -0.0034 14287 THR 61 CA -0.0002 0.0026 -0.0035 14288 THR 61 C 0.0004 0.0022 -0.0027 14289 THR 61 O 0.0001 0.0018 -0.0026 14290 THR 61 CB 0.0002 0.0036 -0.0039 14291 THR 61 OG1 0.0010 0.0040 -0.0035 14292 THR 61 CG2 -0.0003 0.0041 -0.0047 14293 THR 61 H 0.0003 0.0029 -0.0033 14294 THR 61 HA -0.0008 0.0023 -0.0039 14295 THR 61 HB 0.0001 0.0037 -0.0040 14296 THR 61 HG1 0.0013 0.0040 -0.0031 14297 THR 61 HG21 -0.0002 0.0040 -0.0046 14298 THR 61 HG22 -0.0009 0.0037 -0.0050 14299 THR 61 HG23 -0.0001 0.0047 -0.0050 14300 HIS 62 N 0.0010 0.0023 -0.0022 14301 HIS 62 CA 0.0016 0.0020 -0.0014 14302 HIS 62 C 0.0019 0.0016 -0.0008 14303 HIS 62 O 0.0020 0.0019 -0.0010 14304 HIS 62 CB 0.0022 0.0027 -0.0013 14305 HIS 62 CG 0.0020 0.0031 -0.0018 14306 HIS 62 ND1 0.0018 0.0038 -0.0025 14307 HIS 62 CD2 0.0019 0.0028 -0.0017 14308 HIS 62 CE1 0.0016 0.0039 -0.0028 14309 HIS 62 NE2 0.0016 0.0033 -0.0024 14310 HIS 62 H 0.0011 0.0026 -0.0023 14311 HIS 62 HA 0.0013 0.0014 -0.0014 14312 HIS 62 HB2 0.0025 0.0032 -0.0014 14313 HIS 62 HB3 0.0027 0.0024 -0.0008 14314 HIS 62 HD2 0.0020 0.0022 -0.0012 14315 HIS 62 HE1 0.0014 0.0044 -0.0034 14316 HIS 62 HE2 0.0015 0.0033 -0.0025 14317 VAL 63 N 0.0022 0.0010 -0.0002 14318 VAL 63 CA 0.0026 0.0007 0.0005 14319 VAL 63 C 0.0033 0.0006 0.0012 14320 VAL 63 O 0.0032 0.0001 0.0014 14321 VAL 63 CB 0.0021 -0.0002 0.0006 14322 VAL 63 CG1 0.0017 -0.0009 0.0007 14323 VAL 63 CG2 0.0025 -0.0006 0.0012 14324 VAL 63 H 0.0022 0.0008 -0.0001 14325 VAL 63 HA 0.0028 0.0011 0.0003 14326 VAL 63 HB 0.0016 -0.0001 0.0001 14327 VAL 63 HG11 0.0014 -0.0007 0.0003 14328 VAL 63 HG12 0.0013 -0.0015 0.0008 14329 VAL 63 HG13 0.0022 -0.0010 0.0012 14330 VAL 63 HG21 0.0021 -0.0012 0.0014 14331 VAL 63 HG22 0.0026 -0.0002 0.0010 14332 VAL 63 HG23 0.0031 -0.0005 0.0017 14333 ASN 64 N 0.0040 0.0011 0.0015 14334 ASN 64 CA 0.0048 0.0011 0.0022 14335 ASN 64 C 0.0049 0.0014 0.0020 14336 ASN 64 O 0.0052 0.0011 0.0026 14337 ASN 64 CB 0.0048 0.0002 0.0028 14338 ASN 64 CG 0.0055 0.0002 0.0034 14339 ASN 64 OD1 0.0057 0.0007 0.0033 14340 ASN 64 ND2 0.0058 -0.0003 0.0041 14341 ASN 64 H 0.0041 0.0015 0.0012 14342 ASN 64 HA 0.0053 0.0016 0.0023 14343 ASN 64 HB2 0.0042 -0.0003 0.0026 14344 ASN 64 HB3 0.0049 -0.0000 0.0031 14345 ASN 64 HD21 0.0056 -0.0007 0.0042 14346 ASN 64 HD22 0.0062 -0.0003 0.0046 14347 GLY 65 N 0.0045 0.0019 0.0013 14348 GLY 65 CA 0.0046 0.0022 0.0012 14349 GLY 65 C 0.0040 0.0015 0.0012 14350 GLY 65 O 0.0042 0.0013 0.0015 14351 GLY 65 H 0.0043 0.0022 0.0009 14352 GLY 65 HA2 0.0044 0.0028 0.0006 14353 GLY 65 HA3 0.0052 0.0024 0.0016 14354 GLU 66 N 0.0033 0.0011 0.0008 14355 GLU 66 CA 0.0027 0.0004 0.0007 14356 GLU 66 C 0.0019 0.0003 0.0000 14357 GLU 66 O 0.0017 0.0001 -0.0001 14358 GLU 66 CB 0.0028 -0.0005 0.0014 14359 GLU 66 CG 0.0027 -0.0011 0.0018 14360 GLU 66 CD 0.0034 -0.0007 0.0021 14361 GLU 66 OE1 0.0040 -0.0008 0.0028 14362 GLU 66 OE2 0.0033 -0.0002 0.0017 14363 GLU 66 H 0.0032 0.0012 0.0006 14364 GLU 66 HA 0.0028 0.0005 0.0007 14365 GLU 66 HB2 0.0033 -0.0003 0.0018 14366 GLU 66 HB3 0.0023 -0.0009 0.0012 14367 GLU 66 HG2 0.0028 -0.0017 0.0023 14368 GLU 66 HG3 0.0022 -0.0012 0.0014 14369 PRO 67 N -0.0000 0.0005 -0.0009 14370 PRO 67 CA -0.0003 0.0006 -0.0010 14371 PRO 67 C -0.0004 0.0003 -0.0010 14372 PRO 67 O -0.0003 0.0000 -0.0010 14373 PRO 67 CB -0.0005 0.0005 -0.0011 14374 PRO 67 CG -0.0004 0.0004 -0.0010 14375 PRO 67 CD -0.0000 0.0005 -0.0009 14376 PRO 67 HA -0.0003 0.0008 -0.0010 14377 PRO 67 HB2 -0.0007 0.0004 -0.0012 14378 PRO 67 HB3 -0.0006 0.0008 -0.0012 14379 PRO 67 HG2 -0.0004 0.0001 -0.0010 14380 PRO 67 HG3 -0.0005 0.0005 -0.0011 14381 PRO 67 HD2 0.0001 0.0003 -0.0008 14382 PRO 67 HD3 0.0000 0.0007 -0.0009 14383 VAL 68 N -0.0005 0.0005 -0.0011 14384 VAL 68 CA -0.0005 0.0003 -0.0011 14385 VAL 68 C -0.0009 0.0002 -0.0012 14386 VAL 68 O -0.0010 -0.0000 -0.0012 14387 VAL 68 CB -0.0004 0.0005 -0.0011 14388 VAL 68 CG1 -0.0001 0.0006 -0.0009 14389 VAL 68 CG2 -0.0006 0.0008 -0.0012 14390 VAL 68 H -0.0005 0.0007 -0.0011 14391 VAL 68 HA -0.0004 0.0001 -0.0010 14392 VAL 68 HB -0.0005 0.0003 -0.0011 14393 VAL 68 HG11 -0.0000 0.0007 -0.0009 14394 VAL 68 HG12 -0.0000 0.0007 -0.0009 14395 VAL 68 HG13 0.0000 0.0003 -0.0008 14396 VAL 68 HG21 -0.0009 0.0007 -0.0013 14397 VAL 68 HG22 -0.0006 0.0010 -0.0012 14398 VAL 68 HG23 -0.0006 0.0009 -0.0012 14399 HIS 69 N -0.0010 0.0003 -0.0013 14400 HIS 69 CA -0.0014 0.0003 -0.0014 14401 HIS 69 C -0.0015 -0.0001 -0.0014 14402 HIS 69 O -0.0014 -0.0003 -0.0014 14403 HIS 69 CB -0.0014 0.0004 -0.0015 14404 HIS 69 CG -0.0014 0.0008 -0.0015 14405 HIS 69 ND1 -0.0016 0.0010 -0.0016 14406 HIS 69 CD2 -0.0013 0.0010 -0.0015 14407 HIS 69 CE1 -0.0016 0.0013 -0.0016 14408 HIS 69 NE2 -0.0014 0.0013 -0.0015 14409 HIS 69 H -0.0009 0.0005 -0.0012 14410 HIS 69 HA -0.0015 0.0004 -0.0015 14411 HIS 69 HB2 -0.0013 0.0004 -0.0014 14412 HIS 69 HB3 -0.0017 0.0004 -0.0015 14413 HIS 69 HD2 -0.0011 0.0009 -0.0014 14414 HIS 69 HE1 -0.0017 0.0015 -0.0017 14415 HIS 69 HE2 -0.0013 0.0015 -0.0015 14416 GLY 70 N -0.0016 -0.0003 -0.0014 14417 GLY 70 CA -0.0017 -0.0006 -0.0014 14418 GLY 70 C -0.0014 -0.0009 -0.0013 14419 GLY 70 O -0.0015 -0.0012 -0.0013 14420 GLY 70 H -0.0016 -0.0002 -0.0014 14421 GLY 70 HA2 -0.0019 -0.0007 -0.0015 14422 GLY 70 HA3 -0.0017 -0.0007 -0.0014 14423 LEU 71 N -0.0012 -0.0007 -0.0012 14424 LEU 71 CA -0.0009 -0.0009 -0.0011 14425 LEU 71 C -0.0010 -0.0009 -0.0011 14426 LEU 71 O -0.0012 -0.0007 -0.0012 14427 LEU 71 CB -0.0006 -0.0007 -0.0010 14428 LEU 71 CG -0.0004 -0.0006 -0.0009 14429 LEU 71 CD1 -0.0001 -0.0005 -0.0008 14430 LEU 71 CD2 -0.0005 -0.0010 -0.0009 14431 LEU 71 H -0.0011 -0.0005 -0.0012 14432 LEU 71 HA -0.0009 -0.0011 -0.0010 14433 LEU 71 HB2 -0.0006 -0.0004 -0.0010 14434 LEU 71 HB3 -0.0004 -0.0008 -0.0009 14435 LEU 71 HG -0.0006 -0.0005 -0.0010 14436 LEU 71 HD11 0.0000 -0.0007 -0.0007 14437 LEU 71 HD12 -0.0001 -0.0003 -0.0008 14438 LEU 71 HD13 -0.0000 -0.0005 -0.0008 14439 LEU 71 HD21 -0.0007 -0.0011 -0.0010 14440 LEU 71 HD22 -0.0004 -0.0012 -0.0008 14441 LEU 71 HD23 -0.0003 -0.0010 -0.0008 14442 VAL 72 N -0.0010 -0.0012 -0.0011 14443 VAL 72 CA -0.0011 -0.0013 -0.0011 14444 VAL 72 C -0.0008 -0.0011 -0.0010 14445 VAL 72 O -0.0006 -0.0010 -0.0009 14446 VAL 72 CB -0.0011 -0.0017 -0.0011 14447 VAL 72 CG1 -0.0008 -0.0018 -0.0009 14448 VAL 72 CG2 -0.0014 -0.0017 -0.0011 14449 VAL 72 H -0.0009 -0.0014 -0.0010 14450 VAL 72 HA -0.0013 -0.0012 -0.0012 14451 VAL 72 HB -0.0012 -0.0018 -0.0011 14452 VAL 72 HG11 -0.0006 -0.0018 -0.0008 14453 VAL 72 HG12 -0.0009 -0.0021 -0.0009 14454 VAL 72 HG13 -0.0008 -0.0018 -0.0009 14455 VAL 72 HG21 -0.0015 -0.0020 -0.0011 14456 VAL 72 HG22 -0.0016 -0.0016 -0.0012 14457 VAL 72 HG23 -0.0013 -0.0017 -0.0011 14458 HIS 73 N -0.0018 -0.0016 0.0005 14459 HIS 73 CA -0.0018 -0.0015 0.0005 14460 HIS 73 C -0.0016 -0.0016 0.0008 14461 HIS 73 O -0.0014 -0.0014 0.0007 14462 HIS 73 CB -0.0022 -0.0017 0.0004 14463 HIS 73 CG -0.0023 -0.0017 0.0002 14464 HIS 73 ND1 -0.0025 -0.0016 -0.0001 14465 HIS 73 CD2 -0.0022 -0.0016 0.0003 14466 HIS 73 CE1 -0.0025 -0.0016 -0.0002 14467 HIS 73 NE2 -0.0023 -0.0016 0.0000 14468 HIS 73 H -0.0020 -0.0017 0.0005 14469 HIS 73 HA -0.0017 -0.0014 0.0002 14470 HIS 73 HB2 -0.0023 -0.0018 0.0003 14471 HIS 73 HB3 -0.0022 -0.0019 0.0007 14472 HIS 73 HD1 -0.0026 -0.0017 -0.0002 14473 HIS 73 HD2 -0.0020 -0.0017 0.0005 14474 HIS 73 HE1 -0.0027 -0.0016 -0.0005 14475 THR 74 N -0.0016 -0.0018 0.0011 14476 THR 74 CA -0.0014 -0.0018 0.0014 14477 THR 74 C -0.0010 -0.0017 0.0015 14478 THR 74 O -0.0008 -0.0017 0.0017 14479 THR 74 CB -0.0016 -0.0021 0.0017 14480 THR 74 OG1 -0.0015 -0.0022 0.0018 14481 THR 74 CG2 -0.0019 -0.0022 0.0015 14482 THR 74 H -0.0017 -0.0019 0.0011 14483 THR 74 HA -0.0014 -0.0018 0.0013 14484 THR 74 HB -0.0015 -0.0022 0.0019 14485 THR 74 HG1 -0.0017 -0.0023 0.0020 14486 THR 74 HG21 -0.0020 -0.0022 0.0015 14487 THR 74 HG22 -0.0021 -0.0024 0.0017 14488 THR 74 HG23 -0.0021 -0.0022 0.0013 14489 GLU 75 N -0.0009 -0.0016 0.0014 14490 GLU 75 CA -0.0006 -0.0014 0.0015 14491 GLU 75 C -0.0003 -0.0012 0.0014 14492 GLU 75 O -0.0001 -0.0011 0.0015 14493 GLU 75 CB -0.0006 -0.0014 0.0014 14494 GLU 75 CG -0.0007 -0.0016 0.0017 14495 GLU 75 CD -0.0007 -0.0016 0.0016 14496 GLU 75 OE1 -0.0009 -0.0016 0.0014 14497 GLU 75 OE2 -0.0004 -0.0015 0.0018 14498 GLU 75 H -0.0011 -0.0016 0.0013 14499 GLU 75 HA -0.0005 -0.0016 0.0018 14500 GLU 75 HB2 -0.0008 -0.0014 0.0012 14501 GLU 75 HB3 -0.0003 -0.0012 0.0014 14502 GLU 75 HG2 -0.0005 -0.0016 0.0020 14503 GLU 75 HG3 -0.0009 -0.0018 0.0017 14504 VAL 76 N -0.0005 -0.0011 0.0010 14505 VAL 76 CA -0.0002 -0.0009 0.0009 14506 VAL 76 C -0.0002 -0.0009 0.0010 14507 VAL 76 O 0.0001 -0.0008 0.0011 14508 VAL 76 CB -0.0004 -0.0007 0.0005 14509 VAL 76 CG1 -0.0003 -0.0006 0.0003 14510 VAL 76 CG2 -0.0007 -0.0009 0.0004 14511 VAL 76 H -0.0007 -0.0011 0.0009 14512 VAL 76 HA 0.0000 -0.0007 0.0009 14513 VAL 76 HB -0.0002 -0.0006 0.0004 14514 VAL 76 HG11 -0.0005 -0.0007 0.0004 14515 VAL 76 HG12 -0.0001 -0.0005 0.0004 14516 VAL 76 HG13 -0.0004 -0.0005 0.0000 14517 VAL 76 HG21 -0.0009 -0.0011 0.0006 14518 VAL 76 HG22 -0.0009 -0.0008 0.0002 14519 VAL 76 HG23 -0.0008 -0.0008 0.0003 14520 VAL 77 N -0.0004 -0.0011 0.0011 14521 VAL 77 CA -0.0004 -0.0012 0.0012 14522 VAL 77 C -0.0002 -0.0012 0.0016 14523 VAL 77 O 0.0000 -0.0012 0.0017 14524 VAL 77 CB -0.0008 -0.0014 0.0013 14525 VAL 77 CG1 -0.0008 -0.0015 0.0014 14526 VAL 77 CG2 -0.0010 -0.0014 0.0009 14527 VAL 77 H -0.0007 -0.0012 0.0010 14528 VAL 77 HA -0.0003 -0.0010 0.0011 14529 VAL 77 HB -0.0009 -0.0015 0.0014 14530 VAL 77 HG11 -0.0006 -0.0015 0.0017 14531 VAL 77 HG12 -0.0010 -0.0017 0.0014 14532 VAL 77 HG13 -0.0007 -0.0014 0.0013 14533 VAL 77 HG21 -0.0012 -0.0014 0.0009 14534 VAL 77 HG22 -0.0009 -0.0012 0.0007 14535 VAL 77 HG23 -0.0012 -0.0015 0.0009 14536 GLU 78 N -0.0002 -0.0014 0.0018 14537 GLU 78 CA 0.0000 -0.0014 0.0021 14538 GLU 78 C 0.0004 -0.0012 0.0021 14539 GLU 78 O 0.0006 -0.0012 0.0023 14540 GLU 78 CB -0.0001 -0.0016 0.0023 14541 GLU 78 CG -0.0004 -0.0019 0.0024 14542 GLU 78 CD -0.0005 -0.0021 0.0027 14543 GLU 78 OE1 -0.0002 -0.0020 0.0028 14544 GLU 78 OE2 -0.0008 -0.0023 0.0027 14545 GLU 78 H -0.0004 -0.0014 0.0017 14546 GLU 78 HA -0.0000 -0.0015 0.0023 14547 GLU 78 HB2 -0.0002 -0.0015 0.0021 14548 GLU 78 HB3 0.0001 -0.0016 0.0025 14549 GLU 78 HG2 -0.0004 -0.0019 0.0026 14550 GLU 78 HG3 -0.0006 -0.0019 0.0022 14551 LEU 79 N 0.0007 -0.0024 0.0039 14552 LEU 79 CA 0.0016 -0.0016 0.0039 14553 LEU 79 C 0.0020 -0.0013 0.0040 14554 LEU 79 O 0.0028 -0.0009 0.0045 14555 LEU 79 CB 0.0016 -0.0010 0.0029 14556 LEU 79 CG 0.0023 -0.0005 0.0030 14557 LEU 79 CD1 0.0032 0.0000 0.0035 14558 LEU 79 CD2 0.0020 -0.0011 0.0035 14559 LEU 79 H 0.0002 -0.0025 0.0034 14560 LEU 79 HA 0.0020 -0.0016 0.0045 14561 LEU 79 HB2 0.0009 -0.0014 0.0025 14562 LEU 79 HB3 0.0018 -0.0006 0.0024 14563 LEU 79 HG 0.0022 -0.0001 0.0022 14564 LEU 79 HD11 0.0034 0.0004 0.0031 14565 LEU 79 HD12 0.0037 0.0004 0.0036 14566 LEU 79 HD13 0.0033 -0.0004 0.0043 14567 LEU 79 HD21 0.0019 -0.0015 0.0043 14568 LEU 79 HD22 0.0025 -0.0007 0.0037 14569 LEU 79 HD23 0.0013 -0.0014 0.0030 14570 ILE 80 N 0.0015 -0.0014 0.0034 14571 ILE 80 CA 0.0018 -0.0012 0.0034 14572 ILE 80 C 0.0020 -0.0016 0.0045 14573 ILE 80 O 0.0027 -0.0012 0.0049 14574 ILE 80 CB 0.0011 -0.0013 0.0025 14575 ILE 80 CG1 0.0011 -0.0007 0.0015 14576 ILE 80 CG2 0.0013 -0.0012 0.0027 14577 ILE 80 CD1 0.0002 -0.0010 0.0007 14578 ILE 80 H 0.0009 -0.0017 0.0030 14579 ILE 80 HA 0.0024 -0.0005 0.0032 14580 ILE 80 HB 0.0004 -0.0019 0.0026 14581 ILE 80 HG12 0.0016 -0.0002 0.0012 14582 ILE 80 HG13 0.0014 -0.0005 0.0015 14583 ILE 80 HG21 0.0020 -0.0007 0.0028 14584 ILE 80 HG22 0.0011 -0.0018 0.0033 14585 ILE 80 HG23 0.0009 -0.0012 0.0020 14586 ILE 80 HD11 0.0003 -0.0006 -0.0001 14587 ILE 80 HD12 -0.0001 -0.0012 0.0006 14588 ILE 80 HD13 -0.0002 -0.0015 0.0009 14589 LEU 81 N 0.0013 -0.0024 0.0049 14590 LEU 81 CA 0.0014 -0.0029 0.0059 14591 LEU 81 C 0.0022 -0.0027 0.0067 14592 LEU 81 O 0.0027 -0.0026 0.0075 14593 LEU 81 CB 0.0005 -0.0038 0.0062 14594 LEU 81 CG -0.0003 -0.0041 0.0054 14595 LEU 81 CD1 -0.0011 -0.0050 0.0057 14596 LEU 81 CD2 -0.0003 -0.0041 0.0055 14597 LEU 81 H 0.0008 -0.0027 0.0045 14598 LEU 81 HA 0.0015 -0.0028 0.0059 14599 LEU 81 HB2 0.0004 -0.0039 0.0062 14600 LEU 81 HB3 0.0006 -0.0041 0.0070 14601 LEU 81 HG -0.0004 -0.0037 0.0046 14602 LEU 81 HD11 -0.0012 -0.0049 0.0055 14603 LEU 81 HD12 -0.0017 -0.0052 0.0052 14604 LEU 81 HD13 -0.0011 -0.0053 0.0065 14605 LEU 81 HD21 -0.0001 -0.0044 0.0063 14606 LEU 81 HD22 -0.0009 -0.0044 0.0050 14607 LEU 81 HD23 0.0002 -0.0035 0.0052 14608 LYS 82 N 0.0023 -0.0025 0.0066 14609 LYS 82 CA 0.0031 -0.0023 0.0074 14610 LYS 82 C 0.0040 -0.0015 0.0074 14611 LYS 82 O 0.0046 -0.0014 0.0082 14612 LYS 82 CB 0.0030 -0.0021 0.0070 14613 LYS 82 CG 0.0035 -0.0022 0.0079 14614 LYS 82 CD 0.0038 -0.0017 0.0074 14615 LYS 82 CE 0.0030 -0.0021 0.0069 14616 LYS 82 NZ 0.0033 -0.0017 0.0066 14617 LYS 82 H 0.0019 -0.0026 0.0061 14618 LYS 82 HA 0.0030 -0.0027 0.0081 14619 LYS 82 HB2 0.0023 -0.0026 0.0068 14620 LYS 82 HB3 0.0032 -0.0016 0.0064 14621 LYS 82 HG2 0.0041 -0.0019 0.0084 14622 LYS 82 HG3 0.0030 -0.0028 0.0083 14623 LYS 82 HD2 0.0041 -0.0011 0.0068 14624 LYS 82 HD3 0.0042 -0.0016 0.0080 14625 LYS 82 HE2 0.0026 -0.0027 0.0074 14626 LYS 82 HE3 0.0025 -0.0021 0.0062 14627 LYS 82 HZ1 0.0037 -0.0017 0.0073 14628 LYS 82 HZ2 0.0036 -0.0011 0.0061 14629 LYS 82 HZ3 0.0027 -0.0020 0.0063 14630 SER 83 N 0.0040 -0.0009 0.0064 14631 SER 83 CA 0.0048 -0.0001 0.0063 14632 SER 83 C 0.0052 -0.0002 0.0071 14633 SER 83 O 0.0060 0.0002 0.0076 14634 SER 83 CB 0.0047 0.0003 0.0052 14635 SER 83 OG 0.0055 0.0011 0.0051 14636 SER 83 H 0.0035 -0.0011 0.0058 14637 SER 83 HA 0.0053 0.0002 0.0065 14638 SER 83 HB2 0.0045 0.0004 0.0047 14639 SER 83 HB3 0.0042 -0.0000 0.0050 14640 SER 83 HG 0.0053 0.0011 0.0048 14641 GLY 84 N 0.0047 -0.0008 0.0072 14642 GLY 84 CA 0.0050 -0.0009 0.0079 14643 GLY 84 C 0.0046 -0.0010 0.0074 14644 GLY 84 O 0.0038 -0.0015 0.0071 14645 GLY 84 H 0.0040 -0.0011 0.0067 14646 GLY 84 HA2 0.0048 -0.0014 0.0086 14647 GLY 84 HA3 0.0057 -0.0004 0.0081 14648 ASN 85 N 0.0061 -0.0027 0.0080 14649 ASN 85 CA 0.0059 -0.0025 0.0075 14650 ASN 85 C 0.0058 -0.0018 0.0064 14651 ASN 85 O 0.0057 -0.0014 0.0059 14652 ASN 85 CB 0.0067 -0.0023 0.0081 14653 ASN 85 CG 0.0078 -0.0015 0.0081 14654 ASN 85 OD1 0.0081 -0.0008 0.0074 14655 ASN 85 ND2 0.0084 -0.0017 0.0090 14656 ASN 85 H 0.0068 -0.0024 0.0083 14657 ASN 85 HA 0.0051 -0.0031 0.0076 14658 ASN 85 HB2 0.0065 -0.0022 0.0077 14659 ASN 85 HB3 0.0068 -0.0029 0.0089 14660 ASN 85 HD21 0.0081 -0.0023 0.0095 14661 ASN 85 HD22 0.0091 -0.0012 0.0090 14662 LYS 86 N 0.0058 -0.0015 0.0060 14663 LYS 86 CA 0.0057 -0.0007 0.0049 14664 LYS 86 C 0.0053 -0.0008 0.0046 14665 LYS 86 O 0.0052 -0.0013 0.0052 14666 LYS 86 CB 0.0067 0.0001 0.0048 14667 LYS 86 CG 0.0076 0.0003 0.0055 14668 LYS 86 CD 0.0086 0.0012 0.0052 14669 LYS 86 CE 0.0094 0.0014 0.0059 14670 LYS 86 NZ 0.0092 0.0013 0.0057 14671 LYS 86 H 0.0058 -0.0017 0.0064 14672 LYS 86 HA 0.0051 -0.0008 0.0044 14673 LYS 86 HB2 0.0066 0.0007 0.0040 14674 LYS 86 HB3 0.0069 0.0002 0.0049 14675 LYS 86 HG2 0.0078 -0.0002 0.0063 14676 LYS 86 HG3 0.0074 0.0001 0.0055 14677 LYS 86 HD2 0.0083 0.0017 0.0044 14678 LYS 86 HD3 0.0088 0.0014 0.0053 14679 LYS 86 HE2 0.0101 0.0020 0.0057 14680 LYS 86 HE3 0.0096 0.0009 0.0067 14681 LYS 86 HZ1 0.0091 0.0019 0.0049 14682 LYS 86 HZ2 0.0084 0.0008 0.0057 14683 LYS 86 HZ3 0.0097 0.0014 0.0062 14684 VAL 87 N 0.0052 -0.0001 0.0036 14685 VAL 87 CA 0.0049 -0.0001 0.0032 14686 VAL 87 C 0.0050 0.0008 0.0021 14687 VAL 87 O 0.0048 0.0011 0.0015 14688 VAL 87 CB 0.0038 -0.0009 0.0031 14689 VAL 87 CG1 0.0030 -0.0009 0.0023 14690 VAL 87 CG2 0.0035 -0.0009 0.0029 14691 VAL 87 H 0.0053 0.0003 0.0032 14692 VAL 87 HA 0.0054 -0.0001 0.0038 14693 VAL 87 HB 0.0037 -0.0015 0.0039 14694 VAL 87 HG11 0.0031 -0.0002 0.0016 14695 VAL 87 HG12 0.0031 -0.0009 0.0025 14696 VAL 87 HG13 0.0022 -0.0014 0.0023 14697 VAL 87 HG21 0.0038 -0.0003 0.0023 14698 VAL 87 HG22 0.0027 -0.0014 0.0027 14699 VAL 87 HG23 0.0039 -0.0012 0.0037 14700 ALA 88 N 0.0053 0.0011 0.0020 14701 ALA 88 CA 0.0054 0.0019 0.0010 14702 ALA 88 C 0.0044 0.0017 0.0002 14703 ALA 88 O 0.0043 0.0016 0.0003 14704 ALA 88 CB 0.0063 0.0025 0.0012 14705 ALA 88 H 0.0054 0.0008 0.0025 14706 ALA 88 HA 0.0055 0.0023 0.0006 14707 ALA 88 HB1 0.0070 0.0027 0.0017 14708 ALA 88 HB2 0.0063 0.0030 0.0005 14709 ALA 88 HB3 0.0062 0.0021 0.0017 14710 ILE 89 N 0.0037 0.0017 -0.0004 14711 ILE 89 CA 0.0027 0.0015 -0.0012 14712 ILE 89 C 0.0029 0.0024 -0.0022 14713 ILE 89 O 0.0031 0.0030 -0.0027 14714 ILE 89 CB 0.0018 0.0010 -0.0014 14715 ILE 89 CG1 0.0009 0.0010 -0.0024 14716 ILE 89 CG2 0.0022 0.0014 -0.0016 14717 ILE 89 CD1 -0.0001 0.0003 -0.0024 14718 ILE 89 H 0.0039 0.0018 -0.0004 14719 ILE 89 HA 0.0025 0.0011 -0.0008 14720 ILE 89 HB 0.0016 0.0004 -0.0007 14721 ILE 89 HG12 0.0011 0.0017 -0.0031 14722 ILE 89 HG13 0.0008 0.0009 -0.0023 14723 ILE 89 HG21 0.0028 0.0014 -0.0009 14724 ILE 89 HG22 0.0015 0.0011 -0.0018 14725 ILE 89 HG23 0.0024 0.0021 -0.0023 14726 ILE 89 HD11 -0.0007 0.0004 -0.0032 14727 ILE 89 HD12 0.0000 0.0004 -0.0024 14728 ILE 89 HD13 -0.0003 -0.0003 -0.0018 14729 SER 90 N 0.0028 0.0025 -0.0024 14730 SER 90 CA 0.0029 0.0033 -0.0034 14731 SER 90 C 0.0019 0.0032 -0.0043 14732 SER 90 O 0.0012 0.0027 -0.0042 14733 SER 90 CB 0.0035 0.0035 -0.0031 14734 SER 90 OG 0.0040 0.0044 -0.0038 14735 SER 90 H 0.0026 0.0020 -0.0020 14736 SER 90 HA 0.0035 0.0038 -0.0036 14737 SER 90 HB2 0.0040 0.0034 -0.0023 14738 SER 90 HB3 0.0029 0.0031 -0.0032 14739 SER 90 HG 0.0035 0.0046 -0.0045 14740 THR 91 N -0.0003 0.0021 -0.0056 14741 THR 91 CA 0.0008 0.0024 -0.0041 14742 THR 91 C -0.0000 0.0014 -0.0026 14743 THR 91 O -0.0015 0.0006 -0.0027 14744 THR 91 CB 0.0019 0.0028 -0.0034 14745 THR 91 OG1 0.0009 0.0021 -0.0029 14746 THR 91 CG2 0.0028 0.0038 -0.0048 14747 THR 91 H -0.0010 0.0017 -0.0055 14748 THR 91 HA 0.0016 0.0029 -0.0045 14749 THR 91 HB 0.0027 0.0030 -0.0023 14750 THR 91 HG1 0.0014 0.0020 -0.0017 14751 THR 91 HG21 0.0020 0.0036 -0.0060 14752 THR 91 HG22 0.0035 0.0043 -0.0052 14753 THR 91 HG23 0.0035 0.0041 -0.0043 14754 THR 92 N 0.0009 0.0015 -0.0011 14755 THR 92 CA 0.0001 0.0007 0.0003 14756 THR 92 C 0.0002 0.0003 0.0019 14757 THR 92 O 0.0014 0.0007 0.0029 14758 THR 92 CB 0.0008 0.0009 0.0009 14759 THR 92 OG1 0.0002 0.0001 0.0025 14760 THR 92 CG2 0.0026 0.0019 0.0013 14761 THR 92 H 0.0020 0.0022 -0.0011 14762 THR 92 HA -0.0011 0.0001 -0.0002 14763 THR 92 HB 0.0005 0.0010 -0.0001 14764 THR 92 HG1 0.0003 -0.0001 0.0033 14765 THR 92 HG21 0.0030 0.0018 0.0024 14766 THR 92 HG22 0.0031 0.0025 0.0002 14767 THR 92 HG23 0.0031 0.0021 0.0016 14768 PRO 93 N -0.0011 -0.0006 0.0021 14769 PRO 93 CA -0.0012 -0.0011 0.0036 14770 PRO 93 C -0.0007 -0.0013 0.0054 14771 PRO 93 O -0.0003 -0.0011 0.0055 14772 PRO 93 CB -0.0030 -0.0021 0.0034 14773 PRO 93 CG -0.0036 -0.0019 0.0015 14774 PRO 93 CD -0.0026 -0.0012 0.0009 14775 PRO 93 HA -0.0005 -0.0006 0.0035 14776 PRO 93 HB2 -0.0035 -0.0027 0.0042 14777 PRO 93 HB3 -0.0031 -0.0023 0.0039 14778 PRO 93 HG2 -0.0048 -0.0026 0.0013 14779 PRO 93 HG3 -0.0034 -0.0016 0.0008 14780 PRO 93 HD2 -0.0032 -0.0016 0.0010 14781 PRO 93 HD3 -0.0024 -0.0007 -0.0005 14782 LEU 94 N -0.0007 -0.0017 0.0068 14783 LEU 94 CA -0.0002 -0.0019 0.0086 14784 LEU 94 C -0.0013 -0.0027 0.0091 14785 LEU 94 O -0.0026 -0.0033 0.0084 14786 LEU 94 CB -0.0002 -0.0023 0.0099 14787 LEU 94 CG -0.0008 -0.0024 0.0091 14788 LEU 94 CD1 -0.0025 -0.0034 0.0087 14789 LEU 94 CD2 -0.0002 -0.0024 0.0104 14790 LEU 94 H -0.0010 -0.0018 0.0066 14791 LEU 94 HA 0.0010 -0.0012 0.0087 14792 LEU 94 HB2 -0.0009 -0.0030 0.0109 14793 LEU 94 HB3 0.0010 -0.0018 0.0106 14794 LEU 94 HG -0.0003 -0.0018 0.0079 14795 LEU 94 HD11 -0.0029 -0.0032 0.0075 14796 LEU 94 HD12 -0.0030 -0.0036 0.0086 14797 LEU 94 HD13 -0.0030 -0.0040 0.0098 14798 LEU 94 HD21 0.0011 -0.0018 0.0108 14799 LEU 94 HD22 -0.0008 -0.0031 0.0116 14800 LEU 94 HD23 -0.0005 -0.0024 0.0098 14801 GLU 95 N -0.0006 -0.0027 0.0104 14802 GLU 95 CA -0.0015 -0.0034 0.0110 14803 GLU 95 C -0.0008 -0.0035 0.0129 14804 GLU 95 O 0.0006 -0.0028 0.0135 14805 GLU 95 CB -0.0015 -0.0031 0.0098 14806 GLU 95 CG 0.0000 -0.0022 0.0099 14807 GLU 95 CD 0.0012 -0.0011 0.0089 14808 GLU 95 OE1 0.0008 -0.0009 0.0072 14809 GLU 95 OE2 0.0025 -0.0006 0.0097 14810 GLU 95 H 0.0005 -0.0022 0.0110 14811 GLU 95 HA -0.0027 -0.0042 0.0111 14812 GLU 95 HB2 -0.0024 -0.0037 0.0101 14813 GLU 95 HB3 -0.0018 -0.0029 0.0084 14814 GLU 95 HG2 0.0005 -0.0022 0.0113 14815 GLU 95 HG3 -0.0002 -0.0022 0.0094 14816 ASN 96 N -0.0017 -0.0043 0.0138 14817 ASN 96 CA -0.0011 -0.0045 0.0156 14818 ASN 96 C -0.0001 -0.0038 0.0155 14819 ASN 96 O -0.0005 -0.0037 0.0143 14820 ASN 96 CB -0.0024 -0.0056 0.0167 14821 ASN 96 CG -0.0035 -0.0060 0.0159 14822 ASN 96 OD1 -0.0032 -0.0059 0.0162 14823 ASN 96 ND2 -0.0048 -0.0065 0.0148 14824 ASN 96 OXT 0.0012 -0.0034 0.0166 14825 ASN 96 H -0.0027 -0.0048 0.0133 14826 ASN 96 HA -0.0004 -0.0042 0.0163 14827 ASN 96 HB2 -0.0020 -0.0057 0.0180 14828 ASN 96 HB3 -0.0031 -0.0061 0.0167 14829 ASN 96 HD21 -0.0050 -0.0065 0.0145 14830 ASN 96 HD22 -0.0055 -0.0068 0.0142 14831 SER 101 N 0.0065 -0.0048 0.0131 14832 SER 101 CA 0.0051 -0.0048 0.0119 14833 SER 101 C 0.0067 -0.0040 0.0118 14834 SER 101 O 0.0083 -0.0043 0.0135 14835 SER 101 CB 0.0030 -0.0063 0.0131 14836 SER 101 OG 0.0013 -0.0069 0.0129 14837 SER 101 H1 0.0053 -0.0054 0.0132 14838 SER 101 H2 0.0073 -0.0053 0.0148 14839 SER 101 H3 0.0078 -0.0038 0.0122 14840 SER 101 HA 0.0044 -0.0042 0.0101 14841 SER 101 HB2 0.0036 -0.0069 0.0149 14842 SER 101 HB3 0.0021 -0.0063 0.0123 14843 SER 101 HG 0.0013 -0.0077 0.0144 14844 TRP 102 N 0.0064 -0.0032 0.0098 14845 TRP 102 CA 0.0079 -0.0024 0.0095 14846 TRP 102 C 0.0105 -0.0013 0.0095 14847 TRP 102 O 0.0122 -0.0012 0.0108 14848 TRP 102 CB 0.0078 -0.0034 0.0114 14849 TRP 102 CG 0.0084 -0.0028 0.0106 14850 TRP 102 CD1 0.0103 -0.0014 0.0096 14851 TRP 102 CD2 0.0070 -0.0035 0.0109 14852 TRP 102 NE1 0.0102 -0.0013 0.0092 14853 TRP 102 CE2 0.0082 -0.0025 0.0099 14854 TRP 102 CE3 0.0049 -0.0048 0.0118 14855 TRP 102 CZ2 0.0074 -0.0028 0.0099 14856 TRP 102 CZ3 0.0041 -0.0051 0.0117 14857 TRP 102 CH2 0.0053 -0.0041 0.0108 14858 TRP 102 H 0.0052 -0.0030 0.0085 14859 TRP 102 HA 0.0072 -0.0018 0.0078 14860 TRP 102 HB2 0.0060 -0.0044 0.0118 14861 TRP 102 HB3 0.0091 -0.0036 0.0129 14862 TRP 102 HD1 0.0116 -0.0007 0.0092 14863 TRP 102 HE1 0.0114 -0.0004 0.0085 14864 TRP 102 HE3 0.0039 -0.0056 0.0125 14865 TRP 102 HZ2 0.0083 -0.0020 0.0091 14866 TRP 102 HZ3 0.0025 -0.0061 0.0124 14867 TRP 102 HH2 0.0046 -0.0044 0.0107 14868 GLU 103 N 0.0107 -0.0005 0.0082 14869 GLU 103 CA 0.0131 0.0006 0.0080 14870 GLU 103 C 0.0145 0.0019 0.0066 14871 GLU 103 O 0.0167 0.0027 0.0068 14872 GLU 103 CB 0.0128 0.0010 0.0069 14873 GLU 103 CG 0.0127 0.0001 0.0086 14874 GLU 103 CD 0.0105 -0.0015 0.0099 14875 GLU 103 OE1 0.0086 -0.0017 0.0088 14876 GLU 103 OE2 0.0108 -0.0024 0.0120 14877 GLU 103 H 0.0093 -0.0007 0.0072 14878 GLU 103 HA 0.0141 0.0001 0.0097 14879 GLU 103 HB2 0.0111 0.0009 0.0056 14880 GLU 103 HB3 0.0143 0.0021 0.0060 14881 GLU 103 HG2 0.0126 0.0005 0.0077 14882 GLU 103 HG3 0.0143 0.0001 0.0099 14883 SER 104 N 0.0131 0.0021 0.0051 14884 SER 104 CA 0.0143 0.0033 0.0036 14885 SER 104 C 0.0125 0.0031 0.0024 14886 SER 104 O 0.0103 0.0021 0.0026 14887 SER 104 CB 0.0153 0.0047 0.0018 14888 SER 104 OG 0.0135 0.0046 0.0004 14889 SER 104 H 0.0114 0.0014 0.0050 14890 SER 104 HA 0.0157 0.0033 0.0047 14891 SER 104 HB2 0.0161 0.0055 0.0007 14892 SER 104 HB3 0.0167 0.0048 0.0026 14893 SER 104 HG 0.0140 0.0048 0.0004 14894 HIS 105 N 0.0134 0.0042 0.0011 14895 HIS 105 CA 0.0119 0.0042 -0.0002 14896 HIS 105 C 0.0117 0.0055 -0.0028 14897 HIS 105 O 0.0114 0.0060 -0.0042 14898 HIS 105 CB 0.0130 0.0043 0.0005 14899 HIS 105 CG 0.0115 0.0030 0.0018 14900 HIS 105 ND1 0.0103 0.0030 0.0009 14901 HIS 105 CD2 0.0113 0.0018 0.0041 14902 HIS 105 CE1 0.0093 0.0017 0.0026 14903 HIS 105 NE2 0.0098 0.0009 0.0046 14904 HIS 105 H 0.0151 0.0049 0.0011 14905 HIS 105 HA 0.0101 0.0032 0.0002 14906 HIS 105 HB2 0.0148 0.0046 0.0015 14907 HIS 105 HB3 0.0131 0.0052 -0.0011 14908 HIS 105 HD2 0.0120 0.0015 0.0053 14909 HIS 105 HE1 0.0081 0.0013 0.0024 14910 HIS 105 HE2 0.0096 0.0001 0.0061 14911 LYS 106 N 0.0120 0.0059 -0.0034 14912 LYS 106 CA 0.0120 0.0071 -0.0059 14913 LYS 106 C 0.0094 0.0068 -0.0073 14914 LYS 106 O 0.0089 0.0074 -0.0089 14915 LYS 106 CB 0.0131 0.0076 -0.0059 14916 LYS 106 CG 0.0157 0.0081 -0.0047 14917 LYS 106 CD 0.0167 0.0085 -0.0046 14918 LYS 106 CE 0.0170 0.0098 -0.0070 14919 LYS 106 NZ 0.0185 0.0103 -0.0068 14920 LYS 106 H 0.0122 0.0054 -0.0022 14921 LYS 106 HA 0.0131 0.0080 -0.0066 14922 LYS 106 HB2 0.0121 0.0068 -0.0051 14923 LYS 106 HB3 0.0130 0.0085 -0.0077 14924 LYS 106 HG2 0.0168 0.0091 -0.0056 14925 LYS 106 HG3 0.0159 0.0073 -0.0029 14926 LYS 106 HD2 0.0185 0.0087 -0.0034 14927 LYS 106 HD3 0.0155 0.0076 -0.0038 14928 LYS 106 HE2 0.0152 0.0095 -0.0079 14929 LYS 106 HE3 0.0179 0.0106 -0.0079 14930 LYS 106 HZ1 0.0177 0.0096 -0.0059 14931 LYS 106 HZ2 0.0202 0.0106 -0.0059 14932 LYS 106 HZ3 0.0186 0.0112 -0.0085 14933 SER 107 N 0.0042 0.0024 -0.0013 14934 SER 107 CA 0.0037 0.0027 -0.0012 14935 SER 107 C 0.0028 0.0029 -0.0011 14936 SER 107 O 0.0023 0.0031 -0.0010 14937 SER 107 CB 0.0038 0.0022 -0.0013 14938 SER 107 OG 0.0046 0.0019 -0.0014 14939 SER 107 H 0.0041 0.0018 -0.0013 14940 SER 107 HA 0.0040 0.0033 -0.0012 14941 SER 107 HB2 0.0034 0.0016 -0.0013 14942 SER 107 HB3 0.0035 0.0025 -0.0012 14943 SER 107 HG 0.0046 0.0016 -0.0014 14944 GLY 108 N 0.0027 0.0027 -0.0011 14945 GLY 108 CA 0.0019 0.0028 -0.0010 14946 GLY 108 C 0.0017 0.0022 -0.0010 14947 GLY 108 O 0.0023 0.0018 -0.0011 14948 GLY 108 H 0.0032 0.0025 -0.0012 14949 GLY 108 HA2 0.0018 0.0034 -0.0009 14950 GLY 108 HA3 0.0014 0.0027 -0.0009 14951 GLY 109 N 0.0009 0.0020 -0.0009 14952 GLY 109 CA 0.0007 0.0014 -0.0010 14953 GLY 109 C 0.0002 0.0007 -0.0010 14954 GLY 109 O 0.0006 0.0000 -0.0011 14955 GLY 109 H 0.0005 0.0023 -0.0009 14956 GLY 109 HA2 0.0013 0.0012 -0.0011 14957 GLY 109 HA3 0.0003 0.0017 -0.0009 14958 GLU 110 N -0.0006 0.0007 -0.0009 14959 GLU 110 CA -0.0012 0.0000 -0.0009 14960 GLU 110 C -0.0020 0.0004 -0.0007 14961 GLU 110 O -0.0026 0.0005 -0.0007 14962 GLU 110 CB -0.0013 -0.0006 -0.0009 14963 GLU 110 CG -0.0014 -0.0015 -0.0010 14964 GLU 110 CD -0.0022 -0.0017 -0.0009 14965 GLU 110 OE1 -0.0028 -0.0019 -0.0008 14966 GLU 110 OE2 -0.0023 -0.0016 -0.0009 14967 GLU 110 H -0.0009 0.0012 -0.0008 14968 GLU 110 HA -0.0009 -0.0002 -0.0009 14969 GLU 110 HB2 -0.0007 -0.0006 -0.0010 14970 GLU 110 HB3 -0.0018 -0.0005 -0.0008 14971 GLU 110 HG2 -0.0009 -0.0016 -0.0010 14972 GLU 110 HG3 -0.0013 -0.0020 -0.0010 14973 THR 111 N -0.0022 0.0006 -0.0007 14974 THR 111 CA -0.0030 0.0009 -0.0006 14975 THR 111 C -0.0033 0.0004 -0.0006 14976 THR 111 O -0.0032 0.0006 -0.0006 14977 THR 111 CB -0.0029 0.0018 -0.0005 14978 THR 111 OG1 -0.0023 0.0023 -0.0005 14979 THR 111 CG2 -0.0037 0.0023 -0.0004 14980 THR 111 H -0.0017 0.0005 -0.0008 14981 THR 111 HA -0.0034 0.0009 -0.0005 14982 THR 111 HB -0.0026 0.0019 -0.0006 14983 THR 111 HG1 -0.0019 0.0019 -0.0006 14984 THR 111 HG21 -0.0036 0.0029 -0.0003 14985 THR 111 HG22 -0.0040 0.0022 -0.0004 14986 THR 111 HG23 -0.0041 0.0020 -0.0004 14987 ARG 112 N -0.0037 -0.0003 -0.0006 14988 ARG 112 CA -0.0041 -0.0009 -0.0006 14989 ARG 112 C -0.0048 -0.0005 -0.0005 14990 ARG 112 O -0.0052 0.0001 -0.0004 14991 ARG 112 CB -0.0043 -0.0017 -0.0007 14992 ARG 112 CG -0.0049 -0.0017 -0.0006 14993 ARG 112 CD -0.0047 -0.0023 -0.0007 14994 ARG 112 NE -0.0053 -0.0024 -0.0006 14995 ARG 112 CZ -0.0052 -0.0022 -0.0006 14996 ARG 112 NH1 -0.0044 -0.0021 -0.0007 14997 ARG 112 NH2 -0.0058 -0.0023 -0.0005 14998 ARG 112 H -0.0037 -0.0005 -0.0006 14999 ARG 112 HA -0.0036 -0.0010 -0.0007 15000 ARG 112 HB2 -0.0046 -0.0021 -0.0007 15001 ARG 112 HB3 -0.0037 -0.0021 -0.0007 15002 ARG 112 HG2 -0.0048 -0.0011 -0.0005 15003 ARG 112 HG3 -0.0055 -0.0017 -0.0005 15004 ARG 112 HD2 -0.0047 -0.0030 -0.0007 15005 ARG 112 HD3 -0.0041 -0.0022 -0.0007 15006 ARG 112 HE -0.0059 -0.0025 -0.0005 15007 ARG 112 HH11 -0.0039 -0.0020 -0.0007 15008 ARG 112 HH12 -0.0042 -0.0020 -0.0007 15009 ARG 112 HH21 -0.0064 -0.0024 -0.0005 15010 ARG 112 HH22 -0.0056 -0.0022 -0.0005 15011 LEU 113 N -0.0045 -0.0021 -0.0004 15012 LEU 113 CA -0.0041 -0.0019 0.0002 15013 LEU 113 C -0.0046 -0.0021 -0.0000 15014 LEU 113 O -0.0041 -0.0020 -0.0004 15015 LEU 113 CB -0.0030 -0.0017 -0.0001 15016 LEU 113 CG -0.0023 -0.0014 0.0005 15017 LEU 113 CD1 -0.0023 -0.0013 0.0016 15018 LEU 113 CD2 -0.0025 -0.0015 0.0003 15019 LEU 113 OXT -0.0055 -0.0023 0.0003 15020 LEU 113 H -0.0043 -0.0021 -0.0011 15021 LEU 113 HA -0.0041 -0.0019 0.0010 15022 LEU 113 HB2 -0.0029 -0.0017 -0.0009 15023 LEU 113 HB3 -0.0028 -0.0016 0.0000 15024 LEU 113 HG -0.0015 -0.0012 0.0002 15025 LEU 113 HD11 -0.0021 -0.0012 0.0018 15026 LEU 113 HD12 -0.0019 -0.0011 0.0020 15027 LEU 113 HD13 -0.0031 -0.0015 0.0019 15028 LEU 113 HD21 -0.0025 -0.0016 -0.0005 15029 LEU 113 HD22 -0.0032 -0.0017 0.0006 15030 LEU 113 HD23 -0.0019 -0.0013 0.0006 15031 GLY 1 N -0.0037 0.0043 0.0086 15032 GLY 1 CA -0.0026 0.0043 0.0075 15033 GLY 1 C -0.0050 0.0044 0.0081 15034 GLY 1 O -0.0060 0.0041 0.0109 15035 GLY 1 H1 -0.0019 0.0042 0.0084 15036 GLY 1 H2 -0.0056 0.0045 0.0072 15037 GLY 1 H3 -0.0045 0.0040 0.0109 15038 GLY 1 HA2 -0.0004 0.0041 0.0087 15039 GLY 1 HA3 -0.0021 0.0047 0.0050 15040 GLY 2 N -0.0059 0.0048 0.0056 15041 GLY 2 CA -0.0082 0.0048 0.0060 15042 GLY 2 C -0.0094 0.0053 0.0028 15043 GLY 2 O -0.0087 0.0056 0.0004 15044 GLY 2 H -0.0050 0.0050 0.0035 15045 GLY 2 HA2 -0.0102 0.0048 0.0074 15046 GLY 2 HA3 -0.0071 0.0046 0.0072 15047 SER 3 N -0.0112 0.0054 0.0029 15048 SER 3 CA -0.0125 0.0059 -0.0000 15049 SER 3 C -0.0127 0.0058 0.0003 15050 SER 3 O -0.0128 0.0055 0.0029 15051 SER 3 CB -0.0158 0.0061 -0.0007 15052 SER 3 OG -0.0157 0.0062 -0.0011 15053 SER 3 H -0.0117 0.0052 0.0049 15054 SER 3 HA -0.0109 0.0060 -0.0020 15055 SER 3 HB2 -0.0174 0.0060 0.0012 15056 SER 3 HB3 -0.0167 0.0065 -0.0029 15057 SER 3 HG -0.0135 0.0060 -0.0006 15058 MET 4 N -0.0128 0.0062 -0.0025 15059 MET 4 CA -0.0130 0.0062 -0.0026 15060 MET 4 C -0.0100 0.0059 -0.0011 15061 MET 4 O -0.0101 0.0055 0.0016 15062 MET 4 CB -0.0160 0.0062 -0.0009 15063 MET 4 CG -0.0190 0.0066 -0.0028 15064 MET 4 SD -0.0226 0.0065 -0.0005 15065 MET 4 CE -0.0219 0.0063 0.0007 15066 MET 4 H -0.0127 0.0064 -0.0045 15067 MET 4 HA -0.0131 0.0065 -0.0051 15068 MET 4 HB2 -0.0163 0.0059 0.0013 15069 MET 4 HB3 -0.0157 0.0061 -0.0005 15070 MET 4 HG2 -0.0190 0.0068 -0.0049 15071 MET 4 HG3 -0.0191 0.0067 -0.0036 15072 MET 4 HE1 -0.0197 0.0060 0.0021 15073 MET 4 HE2 -0.0238 0.0062 0.0021 15074 MET 4 HE3 -0.0216 0.0065 -0.0014 15075 ARG 5 N -0.0074 0.0060 -0.0030 15076 ARG 5 CA -0.0044 0.0057 -0.0019 15077 ARG 5 C -0.0047 0.0057 -0.0018 15078 ARG 5 O -0.0061 0.0060 -0.0039 15079 ARG 5 CB -0.0017 0.0058 -0.0041 15080 ARG 5 CG -0.0007 0.0057 -0.0037 15081 ARG 5 CD -0.0029 0.0061 -0.0056 15082 ARG 5 NE -0.0018 0.0060 -0.0056 15083 ARG 5 CZ -0.0029 0.0063 -0.0075 15084 ARG 5 NH1 -0.0053 0.0067 -0.0095 15085 ARG 5 NH2 -0.0016 0.0062 -0.0074 15086 ARG 5 H -0.0075 0.0063 -0.0051 15087 ARG 5 HA -0.0040 0.0053 0.0005 15088 ARG 5 HB2 -0.0023 0.0062 -0.0065 15089 ARG 5 HB3 0.0004 0.0056 -0.0035 15090 ARG 5 HG2 0.0017 0.0057 -0.0045 15091 ARG 5 HG3 -0.0009 0.0054 -0.0012 15092 ARG 5 HD2 -0.0053 0.0061 -0.0047 15093 ARG 5 HD3 -0.0029 0.0064 -0.0081 15094 ARG 5 HE -0.0001 0.0057 -0.0041 15095 ARG 5 HH11 -0.0062 0.0068 -0.0096 15096 ARG 5 HH12 -0.0061 0.0069 -0.0109 15097 ARG 5 HH21 0.0001 0.0059 -0.0058 15098 ARG 5 HH22 -0.0024 0.0065 -0.0088 15099 PRO 6 N -0.0034 0.0053 0.0007 15100 PRO 6 CA -0.0036 0.0053 0.0010 15101 PRO 6 C -0.0009 0.0053 -0.0007 15102 PRO 6 O 0.0019 0.0050 0.0004 15103 PRO 6 CB -0.0034 0.0048 0.0046 15104 PRO 6 CG -0.0029 0.0046 0.0060 15105 PRO 6 CD -0.0017 0.0048 0.0033 15106 PRO 6 HA -0.0059 0.0055 0.0002 15107 PRO 6 HB2 -0.0014 0.0046 0.0052 15108 PRO 6 HB3 -0.0056 0.0048 0.0055 15109 PRO 6 HG2 -0.0011 0.0042 0.0078 15110 PRO 6 HG3 -0.0051 0.0046 0.0069 15111 PRO 6 HD2 0.0009 0.0048 0.0030 15112 PRO 6 HD3 -0.0023 0.0048 0.0038 15113 PRO 7 N 0.0072 0.0038 -0.0040 15114 PRO 7 CA 0.0065 0.0031 -0.0031 15115 PRO 7 C 0.0065 0.0033 -0.0033 15116 PRO 7 O 0.0075 0.0036 -0.0032 15117 PRO 7 CB 0.0072 0.0027 -0.0017 15118 PRO 7 CG 0.0082 0.0031 -0.0019 15119 PRO 7 CD 0.0085 0.0039 -0.0033 15120 PRO 7 HA 0.0054 0.0028 -0.0031 15121 PRO 7 HB2 0.0078 0.0027 -0.0014 15122 PRO 7 HB3 0.0065 0.0021 -0.0011 15123 PRO 7 HG2 0.0091 0.0031 -0.0012 15124 PRO 7 HG3 0.0077 0.0029 -0.0018 15125 PRO 7 HD2 0.0093 0.0043 -0.0033 15126 PRO 7 HD3 0.0087 0.0042 -0.0037 15127 ILE 8 N 0.0052 0.0030 -0.0036 15128 ILE 8 CA 0.0051 0.0030 -0.0038 15129 ILE 8 C 0.0052 0.0024 -0.0025 15130 ILE 8 O 0.0043 0.0017 -0.0018 15131 ILE 8 CB 0.0037 0.0030 -0.0046 15132 ILE 8 CG1 0.0034 0.0034 -0.0056 15133 ILE 8 CG2 0.0038 0.0034 -0.0053 15134 ILE 8 CD1 0.0019 0.0029 -0.0057 15135 ILE 8 H 0.0044 0.0027 -0.0037 15136 ILE 8 HA 0.0059 0.0036 -0.0043 15137 ILE 8 HB 0.0029 0.0024 -0.0040 15138 ILE 8 HG12 0.0035 0.0039 -0.0065 15139 ILE 8 HG13 0.0041 0.0035 -0.0054 15140 ILE 8 HG21 0.0042 0.0032 -0.0046 15141 ILE 8 HG22 0.0028 0.0032 -0.0057 15142 ILE 8 HG23 0.0044 0.0040 -0.0061 15143 ILE 8 HD11 0.0012 0.0028 -0.0059 15144 ILE 8 HD12 0.0018 0.0024 -0.0048 15145 ILE 8 HD13 0.0017 0.0033 -0.0065 15146 ILE 9 N 0.0062 0.0026 -0.0021 15147 ILE 9 CA 0.0064 0.0020 -0.0009 15148 ILE 9 C 0.0055 0.0017 -0.0010 15149 ILE 9 O 0.0058 0.0021 -0.0015 15150 ILE 9 CB 0.0079 0.0023 -0.0005 15151 ILE 9 CG1 0.0089 0.0028 -0.0009 15152 ILE 9 CG2 0.0082 0.0016 0.0010 15153 ILE 9 CD1 0.0089 0.0025 -0.0002 15154 ILE 9 H 0.0069 0.0031 -0.0027 15155 ILE 9 HA 0.0061 0.0015 -0.0002 15156 ILE 9 HB 0.0081 0.0026 -0.0009 15157 ILE 9 HG12 0.0087 0.0033 -0.0019 15158 ILE 9 HG13 0.0100 0.0031 -0.0007 15159 ILE 9 HG21 0.0076 0.0013 0.0012 15160 ILE 9 HG22 0.0093 0.0018 0.0013 15161 ILE 9 HG23 0.0079 0.0013 0.0015 15162 ILE 9 HD11 0.0096 0.0029 -0.0006 15163 ILE 9 HD12 0.0079 0.0022 -0.0004 15164 ILE 9 HD13 0.0092 0.0021 0.0008 15165 ILE 10 N 0.0044 0.0011 -0.0005 15166 ILE 10 CA 0.0035 0.0007 -0.0004 15167 ILE 10 C 0.0041 0.0004 0.0007 15168 ILE 10 O 0.0050 0.0003 0.0015 15169 ILE 10 CB 0.0020 0.0001 -0.0002 15170 ILE 10 CG1 0.0013 0.0004 -0.0011 15171 ILE 10 CG2 0.0011 -0.0002 -0.0003 15172 ILE 10 CD1 0.0005 -0.0002 -0.0005 15173 ILE 10 H 0.0041 0.0008 -0.0001 15174 ILE 10 HA 0.0034 0.0012 -0.0013 15175 ILE 10 HB 0.0021 -0.0004 0.0008 15176 ILE 10 HG12 0.0006 0.0005 -0.0019 15177 ILE 10 HG13 0.0020 0.0008 -0.0016 15178 ILE 10 HG21 -0.0000 -0.0004 -0.0005 15179 ILE 10 HG22 0.0013 0.0003 -0.0010 15180 ILE 10 HG23 0.0012 -0.0006 0.0007 15181 ILE 10 HD11 0.0011 -0.0005 0.0004 15182 ILE 10 HD12 0.0003 0.0000 -0.0011 15183 ILE 10 HD13 -0.0005 -0.0007 -0.0003 15184 HIS 11 N 0.0037 0.0002 0.0007 15185 HIS 11 CA 0.0042 -0.0001 0.0017 15186 HIS 11 C 0.0030 -0.0007 0.0020 15187 HIS 11 O 0.0024 -0.0005 0.0012 15188 HIS 11 CB 0.0053 0.0005 0.0012 15189 HIS 11 CG 0.0061 0.0002 0.0023 15190 HIS 11 ND1 0.0060 0.0002 0.0023 15191 HIS 11 CD2 0.0070 -0.0000 0.0034 15192 HIS 11 CE1 0.0068 -0.0001 0.0034 15193 HIS 11 NE2 0.0074 -0.0002 0.0040 15194 HIS 11 H 0.0029 0.0003 -0.0000 15195 HIS 11 HA 0.0046 -0.0004 0.0025 15196 HIS 11 HB2 0.0060 0.0010 0.0008 15197 HIS 11 HB3 0.0049 0.0007 0.0005 15198 HIS 11 HD2 0.0073 -0.0000 0.0036 15199 HIS 11 HE1 0.0070 -0.0002 0.0037 15200 HIS 11 HE2 0.0082 -0.0003 0.0047 15201 ARG 12 N 0.0026 -0.0014 0.0031 15202 ARG 12 CA 0.0014 -0.0020 0.0035 15203 ARG 12 C 0.0017 -0.0020 0.0037 15204 ARG 12 O 0.0026 -0.0021 0.0046 15205 ARG 12 CB 0.0011 -0.0028 0.0048 15206 ARG 12 CG -0.0001 -0.0034 0.0053 15207 ARG 12 CD -0.0004 -0.0041 0.0065 15208 ARG 12 NE -0.0015 -0.0048 0.0071 15209 ARG 12 CZ -0.0013 -0.0053 0.0082 15210 ARG 12 NH1 -0.0001 -0.0053 0.0088 15211 ARG 12 NH2 -0.0024 -0.0060 0.0086 15212 ARG 12 H 0.0031 -0.0015 0.0037 15213 ARG 12 HA 0.0006 -0.0019 0.0028 15214 ARG 12 HB2 0.0010 -0.0027 0.0047 15215 ARG 12 HB3 0.0020 -0.0028 0.0055 15216 ARG 12 HG2 0.0001 -0.0035 0.0055 15217 ARG 12 HG3 -0.0010 -0.0034 0.0045 15218 ARG 12 HD2 -0.0006 -0.0041 0.0063 15219 ARG 12 HD3 0.0006 -0.0042 0.0072 15220 ARG 12 HE -0.0024 -0.0049 0.0066 15221 ARG 12 HH11 0.0007 -0.0048 0.0085 15222 ARG 12 HH12 0.0000 -0.0057 0.0097 15223 ARG 12 HH21 -0.0034 -0.0060 0.0081 15224 ARG 12 HH22 -0.0023 -0.0063 0.0095 15225 ALA 13 N -0.0005 -0.0016 0.0018 15226 ALA 13 CA -0.0008 -0.0017 0.0017 15227 ALA 13 C -0.0021 -0.0022 0.0030 15228 ALA 13 O -0.0033 -0.0024 0.0026 15229 ALA 13 CB -0.0014 -0.0015 -0.0001 15230 ALA 13 H -0.0011 -0.0016 0.0010 15231 ALA 13 HA 0.0004 -0.0014 0.0020 15232 ALA 13 HB1 -0.0014 -0.0014 -0.0002 15233 ALA 13 HB2 -0.0027 -0.0017 -0.0004 15234 ALA 13 HB3 -0.0005 -0.0011 -0.0010 15235 GLY 14 N -0.0019 -0.0025 0.0046 15236 GLY 14 CA -0.0031 -0.0030 0.0060 15237 GLY 14 C -0.0047 -0.0034 0.0058 15238 GLY 14 O -0.0059 -0.0039 0.0069 15239 GLY 14 H -0.0009 -0.0023 0.0049 15240 GLY 14 HA2 -0.0024 -0.0031 0.0072 15241 GLY 14 HA3 -0.0033 -0.0031 0.0059 15242 LYS 15 N -0.0049 -0.0032 0.0045 15243 LYS 15 CA -0.0065 -0.0035 0.0042 15244 LYS 15 C -0.0061 -0.0034 0.0043 15245 LYS 15 O -0.0062 -0.0037 0.0056 15246 LYS 15 CB -0.0074 -0.0034 0.0024 15247 LYS 15 CG -0.0062 -0.0028 0.0010 15248 LYS 15 CD -0.0071 -0.0027 -0.0008 15249 LYS 15 CE -0.0085 -0.0030 -0.0009 15250 LYS 15 NZ -0.0096 -0.0030 -0.0026 15251 LYS 15 H -0.0040 -0.0028 0.0037 15252 LYS 15 HA -0.0073 -0.0039 0.0052 15253 LYS 15 HB2 -0.0081 -0.0035 0.0020 15254 LYS 15 HB3 -0.0083 -0.0037 0.0027 15255 LYS 15 HG2 -0.0057 -0.0028 0.0013 15256 LYS 15 HG3 -0.0051 -0.0026 0.0010 15257 LYS 15 HD2 -0.0062 -0.0023 -0.0017 15258 LYS 15 HD3 -0.0076 -0.0028 -0.0010 15259 LYS 15 HE2 -0.0094 -0.0035 0.0002 15260 LYS 15 HE3 -0.0080 -0.0029 -0.0007 15261 LYS 15 HZ1 -0.0088 -0.0026 -0.0036 15262 LYS 15 HZ2 -0.0106 -0.0032 -0.0026 15263 LYS 15 HZ3 -0.0101 -0.0031 -0.0028 15264 LYS 16 N -0.0055 -0.0030 0.0028 15265 LYS 16 CA -0.0051 -0.0029 0.0027 15266 LYS 16 C -0.0038 -0.0023 0.0014 15267 LYS 16 O -0.0032 -0.0020 0.0005 15268 LYS 16 CB -0.0068 -0.0032 0.0023 15269 LYS 16 CG -0.0080 -0.0033 0.0010 15270 LYS 16 CD -0.0098 -0.0038 0.0012 15271 LYS 16 CE -0.0110 -0.0038 -0.0001 15272 LYS 16 NZ -0.0129 -0.0043 0.0000 15273 LYS 16 H -0.0053 -0.0028 0.0018 15274 LYS 16 HA -0.0046 -0.0030 0.0040 15275 LYS 16 HB2 -0.0064 -0.0030 0.0018 15276 LYS 16 HB3 -0.0074 -0.0036 0.0035 15277 LYS 16 HG2 -0.0079 -0.0033 0.0011 15278 LYS 16 HG3 -0.0076 -0.0029 -0.0003 15279 LYS 16 HD2 -0.0099 -0.0037 0.0010 15280 LYS 16 HD3 -0.0102 -0.0041 0.0025 15281 LYS 16 HE2 -0.0109 -0.0038 0.0000 15282 LYS 16 HE3 -0.0106 -0.0034 -0.0014 15283 LYS 16 HZ1 -0.0131 -0.0042 -0.0005 15284 LYS 16 HZ2 -0.0137 -0.0043 -0.0007 15285 LYS 16 HZ3 -0.0132 -0.0046 0.0013 15286 TYR 17 N -0.0034 -0.0022 0.0011 15287 TYR 17 CA -0.0021 -0.0016 -0.0002 15288 TYR 17 C -0.0030 -0.0015 -0.0019 15289 TYR 17 O -0.0022 -0.0011 -0.0032 15290 TYR 17 CB -0.0011 -0.0015 0.0005 15291 TYR 17 CG -0.0005 -0.0017 0.0024 15292 TYR 17 CD1 -0.0015 -0.0022 0.0037 15293 TYR 17 CD2 0.0011 -0.0014 0.0028 15294 TYR 17 CE1 -0.0009 -0.0024 0.0054 15295 TYR 17 CE2 0.0017 -0.0016 0.0045 15296 TYR 17 CZ 0.0006 -0.0021 0.0058 15297 TYR 17 OH 0.0012 -0.0023 0.0075 15298 TYR 17 H -0.0039 -0.0024 0.0018 15299 TYR 17 HA -0.0012 -0.0014 -0.0003 15300 TYR 17 HB2 -0.0019 -0.0017 0.0004 15301 TYR 17 HB3 0.0000 -0.0011 -0.0003 15302 TYR 17 HD1 -0.0027 -0.0024 0.0034 15303 TYR 17 HD2 0.0019 -0.0010 0.0017 15304 TYR 17 HE1 -0.0018 -0.0028 0.0065 15305 TYR 17 HE2 0.0029 -0.0013 0.0048 15306 TYR 17 HH 0.0022 -0.0021 0.0076 15307 GLY 18 N -0.0047 -0.0019 -0.0020 15308 GLY 18 CA -0.0057 -0.0018 -0.0036 15309 GLY 18 C -0.0057 -0.0017 -0.0045 15310 GLY 18 O -0.0055 -0.0013 -0.0061 15311 GLY 18 H -0.0052 -0.0022 -0.0009 15312 GLY 18 HA2 -0.0071 -0.0022 -0.0033 15313 GLY 18 HA3 -0.0053 -0.0016 -0.0045 15314 PHE 19 N -0.0031 -0.0011 -0.0027 15315 PHE 19 CA -0.0028 -0.0012 -0.0025 15316 PHE 19 C -0.0027 -0.0009 -0.0022 15317 PHE 19 O -0.0027 -0.0006 -0.0021 15318 PHE 19 CB -0.0026 -0.0016 -0.0024 15319 PHE 19 CG -0.0025 -0.0015 -0.0023 15320 PHE 19 CD1 -0.0027 -0.0014 -0.0025 15321 PHE 19 CD2 -0.0022 -0.0016 -0.0020 15322 PHE 19 CE1 -0.0026 -0.0014 -0.0023 15323 PHE 19 CE2 -0.0021 -0.0015 -0.0019 15324 PHE 19 CZ -0.0023 -0.0015 -0.0021 15325 PHE 19 H -0.0032 -0.0009 -0.0027 15326 PHE 19 HA -0.0029 -0.0012 -0.0025 15327 PHE 19 HB2 -0.0025 -0.0017 -0.0023 15328 PHE 19 HB3 -0.0028 -0.0018 -0.0026 15329 PHE 19 HD1 -0.0030 -0.0014 -0.0027 15330 PHE 19 HD2 -0.0021 -0.0016 -0.0019 15331 PHE 19 HE1 -0.0028 -0.0013 -0.0025 15332 PHE 19 HE2 -0.0019 -0.0016 -0.0017 15333 PHE 19 HZ -0.0022 -0.0014 -0.0020 15334 THR 20 N -0.0025 -0.0008 -0.0020 15335 THR 20 CA -0.0023 -0.0006 -0.0017 15336 THR 20 C -0.0020 -0.0007 -0.0014 15337 THR 20 O -0.0018 -0.0010 -0.0014 15338 THR 20 CB -0.0023 -0.0004 -0.0016 15339 THR 20 OG1 -0.0026 -0.0003 -0.0018 15340 THR 20 CG2 -0.0021 -0.0002 -0.0013 15341 THR 20 H -0.0025 -0.0010 -0.0020 15342 THR 20 HA -0.0024 -0.0003 -0.0017 15343 THR 20 HB -0.0022 -0.0007 -0.0016 15344 THR 20 HG1 -0.0025 -0.0003 -0.0018 15345 THR 20 HG21 -0.0022 0.0001 -0.0013 15346 THR 20 HG22 -0.0019 -0.0003 -0.0011 15347 THR 20 HG23 -0.0020 -0.0001 -0.0012 15348 LEU 21 N -0.0020 -0.0005 -0.0013 15349 LEU 21 CA -0.0017 -0.0007 -0.0011 15350 LEU 21 C -0.0015 -0.0004 -0.0008 15351 LEU 21 O -0.0014 -0.0001 -0.0006 15352 LEU 21 CB -0.0017 -0.0006 -0.0011 15353 LEU 21 CG -0.0015 -0.0009 -0.0010 15354 LEU 21 CD1 -0.0013 -0.0012 -0.0010 15355 LEU 21 CD2 -0.0016 -0.0010 -0.0012 15356 LEU 21 H -0.0021 -0.0003 -0.0014 15357 LEU 21 HA -0.0016 -0.0010 -0.0011 15358 LEU 21 HB2 -0.0019 -0.0006 -0.0013 15359 LEU 21 HB3 -0.0017 -0.0003 -0.0009 15360 LEU 21 HG -0.0013 -0.0008 -0.0007 15361 LEU 21 HD11 -0.0012 -0.0015 -0.0009 15362 LEU 21 HD12 -0.0015 -0.0014 -0.0012 15363 LEU 21 HD13 -0.0012 -0.0012 -0.0008 15364 LEU 21 HD21 -0.0018 -0.0011 -0.0014 15365 LEU 21 HD22 -0.0015 -0.0012 -0.0011 15366 LEU 21 HD23 -0.0018 -0.0007 -0.0012 15367 ARG 22 N -0.0013 -0.0006 -0.0007 15368 ARG 22 CA -0.0011 -0.0004 -0.0004 15369 ARG 22 C -0.0008 -0.0004 -0.0001 15370 ARG 22 O -0.0007 -0.0008 -0.0001 15371 ARG 22 CB -0.0010 -0.0006 -0.0004 15372 ARG 22 CG -0.0009 -0.0003 -0.0002 15373 ARG 22 CD -0.0012 -0.0001 -0.0003 15374 ARG 22 NE -0.0011 0.0001 -0.0002 15375 ARG 22 CZ -0.0013 0.0004 -0.0003 15376 ARG 22 NH1 -0.0016 0.0005 -0.0005 15377 ARG 22 NH2 -0.0013 0.0006 -0.0001 15378 ARG 22 H -0.0013 -0.0008 -0.0008 15379 ARG 22 HA -0.0012 -0.0001 -0.0004 15380 ARG 22 HB2 -0.0012 -0.0007 -0.0006 15381 ARG 22 HB3 -0.0008 -0.0008 -0.0003 15382 ARG 22 HG2 -0.0008 -0.0005 -0.0001 15383 ARG 22 HG3 -0.0008 -0.0001 0.0000 15384 ARG 22 HD2 -0.0013 0.0001 -0.0004 15385 ARG 22 HD3 -0.0013 -0.0003 -0.0006 15386 ARG 22 HE -0.0009 0.0001 0.0000 15387 ARG 22 HH11 -0.0017 0.0003 -0.0007 15388 ARG 22 HH12 -0.0018 0.0007 -0.0006 15389 ARG 22 HH21 -0.0010 0.0005 0.0001 15390 ARG 22 HH22 -0.0014 0.0008 -0.0002 15391 ALA 23 N -0.0007 -0.0001 0.0001 15392 ALA 23 CA -0.0005 -0.0001 0.0004 15393 ALA 23 C -0.0002 -0.0002 0.0006 15394 ALA 23 O -0.0002 -0.0000 0.0007 15395 ALA 23 CB -0.0005 0.0002 0.0005 15396 ALA 23 H -0.0008 0.0001 0.0001 15397 ALA 23 HA -0.0004 -0.0004 0.0003 15398 ALA 23 HB1 -0.0006 0.0005 0.0005 15399 ALA 23 HB2 -0.0007 0.0002 0.0003 15400 ALA 23 HB3 -0.0003 0.0002 0.0007 15401 ILE 24 N 0.0001 -0.0004 0.0008 15402 ILE 24 CA 0.0004 -0.0005 0.0010 15403 ILE 24 C 0.0006 -0.0005 0.0013 15404 ILE 24 O 0.0006 -0.0007 0.0012 15405 ILE 24 CB 0.0004 -0.0009 0.0009 15406 ILE 24 CG1 0.0003 -0.0012 0.0007 15407 ILE 24 CG2 0.0002 -0.0008 0.0008 15408 ILE 24 CD1 0.0005 -0.0016 0.0007 15409 ILE 24 H 0.0001 -0.0006 0.0007 15410 ILE 24 HA 0.0003 -0.0002 0.0011 15411 ILE 24 HB 0.0007 -0.0009 0.0011 15412 ILE 24 HG12 0.0001 -0.0012 0.0005 15413 ILE 24 HG13 0.0004 -0.0012 0.0008 15414 ILE 24 HG21 0.0003 -0.0005 0.0010 15415 ILE 24 HG22 0.0003 -0.0010 0.0007 15416 ILE 24 HG23 -0.0000 -0.0007 0.0006 15417 ILE 24 HD11 0.0004 -0.0018 0.0006 15418 ILE 24 HD12 0.0005 -0.0016 0.0007 15419 ILE 24 HD13 0.0007 -0.0016 0.0009 15420 ARG 25 N 0.0030 -0.0005 0.0021 15421 ARG 25 CA 0.0017 -0.0004 0.0009 15422 ARG 25 C 0.0016 -0.0008 0.0029 15423 ARG 25 O 0.0034 -0.0007 0.0031 15424 ARG 25 CB 0.0032 0.0001 -0.0014 15425 ARG 25 CG 0.0031 0.0004 -0.0036 15426 ARG 25 CD 0.0050 0.0009 -0.0057 15427 ARG 25 NE 0.0048 0.0012 -0.0078 15428 ARG 25 CZ 0.0067 0.0016 -0.0094 15429 ARG 25 NH1 0.0090 0.0017 -0.0090 15430 ARG 25 NH2 0.0064 0.0019 -0.0113 15431 ARG 25 H 0.0048 -0.0005 0.0027 15432 ARG 25 HA -0.0002 -0.0005 0.0004 15433 ARG 25 HB2 0.0052 0.0001 -0.0009 15434 ARG 25 HB3 0.0024 0.0001 -0.0021 15435 ARG 25 HG2 0.0012 0.0004 -0.0044 15436 ARG 25 HG3 0.0035 0.0003 -0.0029 15437 ARG 25 HD2 0.0069 0.0009 -0.0049 15438 ARG 25 HD3 0.0047 0.0010 -0.0063 15439 ARG 25 HE 0.0031 0.0012 -0.0082 15440 ARG 25 HH11 0.0093 0.0015 -0.0075 15441 ARG 25 HH12 0.0105 0.0020 -0.0102 15442 ARG 25 HH21 0.0047 0.0018 -0.0116 15443 ARG 25 HH22 0.0079 0.0022 -0.0125 15444 VAL 26 N -0.0005 -0.0012 0.0042 15445 VAL 26 CA -0.0009 -0.0015 0.0062 15446 VAL 26 C -0.0016 -0.0014 0.0050 15447 VAL 26 O -0.0036 -0.0013 0.0036 15448 VAL 26 CB -0.0030 -0.0020 0.0081 15449 VAL 26 CG1 -0.0019 -0.0022 0.0100 15450 VAL 26 CG2 -0.0054 -0.0019 0.0068 15451 VAL 26 H -0.0019 -0.0012 0.0040 15452 VAL 26 HA 0.0009 -0.0015 0.0072 15453 VAL 26 HB -0.0035 -0.0022 0.0092 15454 VAL 26 HG11 -0.0035 -0.0025 0.0110 15455 VAL 26 HG12 -0.0009 -0.0020 0.0090 15456 VAL 26 HG13 -0.0007 -0.0023 0.0114 15457 VAL 26 HG21 -0.0069 -0.0023 0.0081 15458 VAL 26 HG22 -0.0060 -0.0018 0.0053 15459 VAL 26 HG23 -0.0049 -0.0018 0.0058 15460 TYR 27 N 0.0000 -0.0013 0.0054 15461 TYR 27 CA -0.0004 -0.0012 0.0043 15462 TYR 27 C -0.0024 -0.0016 0.0058 15463 TYR 27 O -0.0028 -0.0020 0.0081 15464 TYR 27 CB 0.0021 -0.0010 0.0042 15465 TYR 27 CG 0.0037 -0.0005 0.0019 15466 TYR 27 CD1 0.0047 -0.0003 0.0015 15467 TYR 27 CD2 0.0042 -0.0001 0.0002 15468 TYR 27 CE1 0.0062 0.0002 -0.0006 15469 TYR 27 CE2 0.0057 0.0003 -0.0020 15470 TYR 27 CZ 0.0066 0.0005 -0.0024 15471 TYR 27 OH 0.0081 0.0009 -0.0045 15472 TYR 27 H 0.0016 -0.0014 0.0064 15473 TYR 27 HA -0.0011 -0.0009 0.0024 15474 TYR 27 HB2 0.0033 -0.0011 0.0059 15475 TYR 27 HB3 0.0017 -0.0010 0.0043 15476 TYR 27 HD1 0.0044 -0.0006 0.0029 15477 TYR 27 HD2 0.0035 -0.0002 0.0004 15478 TYR 27 HE1 0.0069 0.0003 -0.0009 15479 TYR 27 HE2 0.0061 0.0006 -0.0033 15480 TYR 27 HH 0.0076 0.0011 -0.0058 15481 MET 28 N -0.0036 -0.0014 0.0046 15482 MET 28 CA -0.0055 -0.0018 0.0058 15483 MET 28 C -0.0052 -0.0017 0.0052 15484 MET 28 O -0.0065 -0.0015 0.0035 15485 MET 28 CB -0.0082 -0.0019 0.0050 15486 MET 28 CG -0.0089 -0.0021 0.0059 15487 MET 28 SD -0.0121 -0.0022 0.0050 15488 MET 28 CE -0.0119 -0.0016 0.0016 15489 MET 28 H -0.0032 -0.0011 0.0028 15490 MET 28 HA -0.0053 -0.0021 0.0079 15491 MET 28 HB2 -0.0084 -0.0015 0.0030 15492 MET 28 HB3 -0.0096 -0.0021 0.0058 15493 MET 28 HG2 -0.0087 -0.0024 0.0079 15494 MET 28 HG3 -0.0075 -0.0018 0.0051 15495 MET 28 HE1 -0.0115 -0.0014 0.0009 15496 MET 28 HE2 -0.0104 -0.0014 0.0010 15497 MET 28 HE3 -0.0137 -0.0016 0.0008 15498 GLY 29 N -0.0034 -0.0017 0.0065 15499 GLY 29 CA -0.0029 -0.0016 0.0060 15500 GLY 29 C -0.0002 -0.0013 0.0051 15501 GLY 29 O 0.0016 -0.0012 0.0055 15502 GLY 29 H -0.0023 -0.0019 0.0078 15503 GLY 29 HA2 -0.0031 -0.0019 0.0078 15504 GLY 29 HA3 -0.0042 -0.0015 0.0046 15505 ASP 30 N 0.0002 -0.0010 0.0038 15506 ASP 30 CA 0.0027 -0.0007 0.0028 15507 ASP 30 C 0.0029 -0.0002 0.0000 15508 ASP 30 O 0.0051 0.0001 -0.0010 15509 ASP 30 CB 0.0031 -0.0007 0.0029 15510 ASP 30 CG 0.0037 -0.0011 0.0056 15511 ASP 30 OD1 0.0060 -0.0010 0.0064 15512 ASP 30 OD2 0.0019 -0.0014 0.0070 15513 ASP 30 H -0.0013 -0.0011 0.0035 15514 ASP 30 HA 0.0042 -0.0007 0.0039 15515 ASP 30 HB2 0.0014 -0.0007 0.0023 15516 ASP 30 HB3 0.0047 -0.0003 0.0017 15517 SER 31 N -0.0010 -0.0007 -0.0056 15518 SER 31 CA -0.0009 -0.0006 -0.0082 15519 SER 31 C 0.0004 -0.0008 -0.0080 15520 SER 31 O 0.0009 -0.0009 -0.0057 15521 SER 31 CB -0.0038 -0.0003 -0.0094 15522 SER 31 OG -0.0057 -0.0001 -0.0077 15523 SER 31 H -0.0028 -0.0005 -0.0047 15524 SER 31 HA 0.0002 -0.0007 -0.0096 15525 SER 31 HB2 -0.0044 -0.0002 -0.0094 15526 SER 31 HB3 -0.0039 -0.0002 -0.0114 15527 SER 31 HG -0.0058 -0.0001 -0.0083 15528 ASP 32 N 0.0009 -0.0008 -0.0103 15529 ASP 32 CA 0.0021 -0.0009 -0.0103 15530 ASP 32 C -0.0000 -0.0007 -0.0097 15531 ASP 32 O 0.0003 -0.0007 -0.0105 15532 ASP 32 CB 0.0035 -0.0010 -0.0130 15533 ASP 32 CG 0.0054 -0.0012 -0.0130 15534 ASP 32 OD1 0.0070 -0.0014 -0.0111 15535 ASP 32 OD2 0.0052 -0.0011 -0.0149 15536 ASP 32 H 0.0004 -0.0007 -0.0120 15537 ASP 32 HA 0.0036 -0.0011 -0.0087 15538 ASP 32 HB2 0.0047 -0.0011 -0.0136 15539 ASP 32 HB3 0.0020 -0.0008 -0.0146 15540 VAL 33 N -0.0023 -0.0005 -0.0084 15541 VAL 33 CA -0.0044 -0.0003 -0.0078 15542 VAL 33 C -0.0037 -0.0004 -0.0052 15543 VAL 33 O -0.0031 -0.0006 -0.0031 15544 VAL 33 CB -0.0072 0.0000 -0.0075 15545 VAL 33 CG1 -0.0070 -0.0001 -0.0056 15546 VAL 33 CG2 -0.0093 0.0002 -0.0064 15547 VAL 33 H -0.0024 -0.0005 -0.0079 15548 VAL 33 HA -0.0046 -0.0002 -0.0094 15549 VAL 33 HB -0.0078 0.0001 -0.0094 15550 VAL 33 HG11 -0.0089 0.0001 -0.0055 15551 VAL 33 HG12 -0.0064 -0.0002 -0.0036 15552 VAL 33 HG13 -0.0054 -0.0002 -0.0063 15553 VAL 33 HG21 -0.0112 0.0004 -0.0061 15554 VAL 33 HG22 -0.0096 0.0003 -0.0080 15555 VAL 33 HG23 -0.0086 0.0001 -0.0046 15556 TYR 34 N -0.0039 -0.0004 -0.0053 15557 TYR 34 CA -0.0033 -0.0005 -0.0031 15558 TYR 34 C -0.0051 -0.0003 -0.0032 15559 TYR 34 O -0.0061 -0.0002 -0.0053 15560 TYR 34 CB -0.0003 -0.0009 -0.0030 15561 TYR 34 CG 0.0007 -0.0009 -0.0057 15562 TYR 34 CD1 0.0000 -0.0008 -0.0063 15563 TYR 34 CD2 0.0022 -0.0010 -0.0075 15564 TYR 34 CE1 0.0009 -0.0008 -0.0088 15565 TYR 34 CE2 0.0032 -0.0010 -0.0099 15566 TYR 34 CZ 0.0025 -0.0009 -0.0105 15567 TYR 34 OH 0.0034 -0.0010 -0.0129 15568 TYR 34 H -0.0045 -0.0003 -0.0071 15569 TYR 34 HA -0.0038 -0.0005 -0.0012 15570 TYR 34 HB2 -0.0000 -0.0009 -0.0014 15571 TYR 34 HB3 0.0009 -0.0010 -0.0026 15572 TYR 34 HD1 -0.0012 -0.0007 -0.0050 15573 TYR 34 HD2 0.0028 -0.0011 -0.0070 15574 TYR 34 HE1 0.0004 -0.0007 -0.0092 15575 TYR 34 HE2 0.0044 -0.0011 -0.0112 15576 TYR 34 HH 0.0033 -0.0009 -0.0143 15577 THR 35 N -0.0055 -0.0004 -0.0008 15578 THR 35 CA -0.0070 -0.0002 -0.0007 15579 THR 35 C -0.0052 -0.0004 -0.0001 15580 THR 35 O -0.0036 -0.0006 0.0018 15581 THR 35 CB -0.0092 -0.0000 0.0015 15582 THR 35 OG1 -0.0091 -0.0001 0.0029 15583 THR 35 CG2 -0.0120 0.0003 0.0003 15584 THR 35 H -0.0047 -0.0005 0.0009 15585 THR 35 HA -0.0080 -0.0000 -0.0026 15586 THR 35 HB -0.0089 -0.0001 0.0029 15587 THR 35 HG1 -0.0083 -0.0001 0.0017 15588 THR 35 HG21 -0.0124 0.0004 -0.0012 15589 THR 35 HG22 -0.0122 0.0004 -0.0006 15590 THR 35 HG23 -0.0135 0.0004 0.0019 15591 VAL 36 N -0.0053 -0.0004 -0.0019 15592 VAL 36 CA -0.0036 -0.0005 -0.0016 15593 VAL 36 C -0.0048 -0.0005 0.0004 15594 VAL 36 O -0.0067 -0.0002 -0.0003 15595 VAL 36 CB -0.0031 -0.0005 -0.0044 15596 VAL 36 CG1 -0.0006 -0.0008 -0.0042 15597 VAL 36 CG2 -0.0027 -0.0005 -0.0066 15598 VAL 36 H -0.0066 -0.0002 -0.0034 15599 VAL 36 HA -0.0016 -0.0008 -0.0009 15600 VAL 36 HB -0.0048 -0.0003 -0.0048 15601 VAL 36 HG11 -0.0004 -0.0008 -0.0061 15602 VAL 36 HG12 0.0012 -0.0010 -0.0038 15603 VAL 36 HG13 -0.0009 -0.0008 -0.0026 15604 VAL 36 HG21 -0.0045 -0.0003 -0.0069 15605 VAL 36 HG22 -0.0011 -0.0007 -0.0061 15606 VAL 36 HG23 -0.0022 -0.0005 -0.0085 15607 HIS 37 N -0.0010 -0.0009 -0.0002 15608 HIS 37 CA -0.0011 -0.0011 -0.0004 15609 HIS 37 C -0.0012 -0.0008 -0.0007 15610 HIS 37 O -0.0012 -0.0005 -0.0006 15611 HIS 37 CB -0.0010 -0.0013 -0.0003 15612 HIS 37 CG -0.0009 -0.0016 -0.0001 15613 HIS 37 ND1 -0.0009 -0.0018 -0.0001 15614 HIS 37 CD2 -0.0007 -0.0017 0.0002 15615 HIS 37 CE1 -0.0008 -0.0020 0.0001 15616 HIS 37 NE2 -0.0007 -0.0020 0.0003 15617 HIS 37 H -0.0009 -0.0007 -0.0000 15618 HIS 37 HA -0.0011 -0.0012 -0.0005 15619 HIS 37 HB2 -0.0009 -0.0011 -0.0001 15620 HIS 37 HB3 -0.0011 -0.0014 -0.0005 15621 HIS 37 HD2 -0.0007 -0.0016 0.0004 15622 HIS 37 HE1 -0.0008 -0.0022 0.0001 15623 HIS 37 HE2 -0.0006 -0.0021 0.0005 15624 HIS 38 N -0.0013 -0.0010 -0.0009 15625 HIS 38 CA -0.0014 -0.0008 -0.0012 15626 HIS 38 C -0.0014 -0.0009 -0.0013 15627 HIS 38 O -0.0014 -0.0013 -0.0013 15628 HIS 38 CB -0.0015 -0.0007 -0.0015 15629 HIS 38 CG -0.0015 -0.0005 -0.0014 15630 HIS 38 ND1 -0.0015 -0.0001 -0.0013 15631 HIS 38 CD2 -0.0015 -0.0006 -0.0014 15632 HIS 38 CE1 -0.0015 -0.0000 -0.0012 15633 HIS 38 NE2 -0.0015 -0.0003 -0.0013 15634 HIS 38 H -0.0013 -0.0012 -0.0009 15635 HIS 38 HA -0.0014 -0.0005 -0.0010 15636 HIS 38 HB2 -0.0016 -0.0010 -0.0015 15637 HIS 38 HB3 -0.0016 -0.0006 -0.0016 15638 HIS 38 HD2 -0.0015 -0.0008 -0.0014 15639 HIS 38 HE1 -0.0015 0.0003 -0.0012 15640 HIS 38 HE2 -0.0014 -0.0003 -0.0012 15641 MET 39 N -0.0015 -0.0007 -0.0014 15642 MET 39 CA -0.0015 -0.0009 -0.0015 15643 MET 39 C -0.0017 -0.0007 -0.0018 15644 MET 39 O -0.0017 -0.0003 -0.0018 15645 MET 39 CB -0.0014 -0.0009 -0.0012 15646 MET 39 CG -0.0013 -0.0011 -0.0009 15647 MET 39 SD -0.0012 -0.0012 -0.0007 15648 MET 39 CE -0.0011 -0.0008 -0.0006 15649 MET 39 H -0.0015 -0.0005 -0.0014 15650 MET 39 HA -0.0016 -0.0012 -0.0016 15651 MET 39 HB2 -0.0014 -0.0006 -0.0011 15652 MET 39 HB3 -0.0015 -0.0010 -0.0013 15653 MET 39 HG2 -0.0013 -0.0014 -0.0010 15654 MET 39 HG3 -0.0012 -0.0010 -0.0008 15655 MET 39 HE1 -0.0011 -0.0006 -0.0004 15656 MET 39 HE2 -0.0011 -0.0008 -0.0004 15657 MET 39 HE3 -0.0013 -0.0007 -0.0008 15658 VAL 40 N -0.0018 -0.0009 -0.0020 15659 VAL 40 CA -0.0019 -0.0007 -0.0023 15660 VAL 40 C -0.0019 -0.0005 -0.0022 15661 VAL 40 O -0.0018 -0.0007 -0.0021 15662 VAL 40 CB -0.0020 -0.0009 -0.0026 15663 VAL 40 CG1 -0.0020 -0.0013 -0.0025 15664 VAL 40 CG2 -0.0022 -0.0008 -0.0029 15665 VAL 40 H -0.0018 -0.0011 -0.0020 15666 VAL 40 HA -0.0020 -0.0005 -0.0024 15667 VAL 40 HB -0.0021 -0.0010 -0.0027 15668 VAL 40 HG11 -0.0020 -0.0013 -0.0026 15669 VAL 40 HG12 -0.0018 -0.0013 -0.0022 15670 VAL 40 HG13 -0.0020 -0.0015 -0.0026 15671 VAL 40 HG21 -0.0022 -0.0009 -0.0031 15672 VAL 40 HG22 -0.0022 -0.0005 -0.0029 15673 VAL 40 HG23 -0.0021 -0.0008 -0.0028 15674 TRP 41 N -0.0019 -0.0001 -0.0022 15675 TRP 41 CA -0.0018 0.0001 -0.0020 15676 TRP 41 C -0.0020 0.0001 -0.0023 15677 TRP 41 O -0.0019 0.0001 -0.0022 15678 TRP 41 CB -0.0018 0.0005 -0.0020 15679 TRP 41 CG -0.0017 0.0006 -0.0017 15680 TRP 41 CD1 -0.0017 0.0010 -0.0017 15681 TRP 41 CD2 -0.0016 0.0005 -0.0014 15682 TRP 41 NE1 -0.0016 0.0011 -0.0014 15683 TRP 41 CE2 -0.0015 0.0008 -0.0012 15684 TRP 41 CE3 -0.0015 0.0002 -0.0012 15685 TRP 41 CZ2 -0.0014 0.0007 -0.0009 15686 TRP 41 CZ3 -0.0014 0.0001 -0.0009 15687 TRP 41 CH2 -0.0013 0.0004 -0.0008 15688 TRP 41 H -0.0019 -0.0000 -0.0022 15689 TRP 41 HA -0.0017 -0.0000 -0.0018 15690 TRP 41 HB2 -0.0018 0.0004 -0.0019 15691 TRP 41 HB3 -0.0019 0.0006 -0.0022 15692 TRP 41 HD1 -0.0018 0.0012 -0.0019 15693 TRP 41 HE1 -0.0016 0.0013 -0.0013 15694 TRP 41 HE3 -0.0015 -0.0001 -0.0014 15695 TRP 41 HZ2 -0.0013 0.0009 -0.0008 15696 TRP 41 HZ3 -0.0013 -0.0001 -0.0008 15697 TRP 41 HH2 -0.0012 0.0003 -0.0005 15698 HIS 42 N -0.0021 0.0001 -0.0026 15699 HIS 42 CA -0.0022 0.0002 -0.0029 15700 HIS 42 C -0.0023 0.0000 -0.0032 15701 HIS 42 O -0.0024 0.0002 -0.0033 15702 HIS 42 CB -0.0023 0.0005 -0.0029 15703 HIS 42 CG -0.0023 0.0006 -0.0030 15704 HIS 42 ND1 -0.0022 0.0007 -0.0028 15705 HIS 42 CD2 -0.0024 0.0005 -0.0033 15706 HIS 42 CE1 -0.0023 0.0007 -0.0030 15707 HIS 42 NE2 -0.0024 0.0006 -0.0033 15708 HIS 42 H -0.0021 0.0002 -0.0026 15709 HIS 42 HA -0.0022 -0.0000 -0.0028 15710 HIS 42 HB2 -0.0022 0.0007 -0.0027 15711 HIS 42 HB3 -0.0023 0.0007 -0.0031 15712 HIS 42 HD2 -0.0025 0.0004 -0.0035 15713 HIS 42 HE1 -0.0023 0.0008 -0.0029 15714 HIS 42 HE2 -0.0025 0.0006 -0.0035 15715 VAL 43 N -0.0057 0.0002 -0.0061 15716 VAL 43 CA -0.0050 0.0001 -0.0060 15717 VAL 43 C -0.0058 0.0001 -0.0073 15718 VAL 43 O -0.0060 0.0001 -0.0088 15719 VAL 43 CB -0.0030 -0.0002 -0.0062 15720 VAL 43 CG1 -0.0025 -0.0003 -0.0078 15721 VAL 43 CG2 -0.0022 -0.0003 -0.0061 15722 VAL 43 H -0.0057 0.0001 -0.0072 15723 VAL 43 HA -0.0052 0.0002 -0.0047 15724 VAL 43 HB -0.0025 -0.0002 -0.0051 15725 VAL 43 HG11 -0.0032 -0.0003 -0.0089 15726 VAL 43 HG12 -0.0028 -0.0003 -0.0077 15727 VAL 43 HG13 -0.0011 -0.0005 -0.0080 15728 VAL 43 HG21 -0.0026 -0.0002 -0.0050 15729 VAL 43 HG22 -0.0027 -0.0003 -0.0072 15730 VAL 43 HG23 -0.0008 -0.0005 -0.0062 15731 GLU 44 N -0.0063 0.0002 -0.0066 15732 GLU 44 CA -0.0072 0.0003 -0.0076 15733 GLU 44 C -0.0060 0.0001 -0.0089 15734 GLU 44 O -0.0047 -0.0001 -0.0085 15735 GLU 44 CB -0.0079 0.0004 -0.0064 15736 GLU 44 CG -0.0095 0.0007 -0.0055 15737 GLU 44 CD -0.0102 0.0008 -0.0043 15738 GLU 44 OE1 -0.0096 0.0008 -0.0028 15739 GLU 44 OE2 -0.0112 0.0009 -0.0049 15740 GLU 44 H -0.0061 0.0002 -0.0054 15741 GLU 44 HA -0.0083 0.0004 -0.0083 15742 GLU 44 HB2 -0.0069 0.0003 -0.0054 15743 GLU 44 HB3 -0.0081 0.0004 -0.0071 15744 GLU 44 HG2 -0.0105 0.0008 -0.0064 15745 GLU 44 HG3 -0.0093 0.0007 -0.0047 15746 ASP 45 N -0.0064 0.0001 -0.0106 15747 ASP 45 CA -0.0054 -0.0001 -0.0120 15748 ASP 45 C -0.0059 -0.0001 -0.0124 15749 ASP 45 O -0.0059 -0.0001 -0.0139 15750 ASP 45 CB -0.0056 -0.0002 -0.0136 15751 ASP 45 CG -0.0075 0.0001 -0.0142 15752 ASP 45 OD1 -0.0085 0.0002 -0.0131 15753 ASP 45 OD2 -0.0079 0.0000 -0.0157 15754 ASP 45 H -0.0074 0.0002 -0.0108 15755 ASP 45 HA -0.0041 -0.0003 -0.0116 15756 ASP 45 HB2 -0.0049 -0.0003 -0.0147 15757 ASP 45 HB3 -0.0051 -0.0002 -0.0133 15758 GLY 46 N -0.0063 0.0000 -0.0110 15759 GLY 46 CA -0.0069 0.0001 -0.0112 15760 GLY 46 C -0.0055 -0.0001 -0.0108 15761 GLY 46 O -0.0055 -0.0001 -0.0115 15762 GLY 46 H -0.0063 0.0001 -0.0098 15763 GLY 46 HA2 -0.0073 0.0001 -0.0125 15764 GLY 46 HA3 -0.0079 0.0003 -0.0104 15765 GLY 47 N -0.0042 -0.0002 -0.0097 15766 GLY 47 CA -0.0029 -0.0003 -0.0092 15767 GLY 47 C -0.0016 -0.0004 -0.0080 15768 GLY 47 O -0.0000 -0.0006 -0.0083 15769 GLY 47 H -0.0042 -0.0001 -0.0092 15770 GLY 47 HA2 -0.0023 -0.0004 -0.0104 15771 GLY 47 HA3 -0.0035 -0.0002 -0.0087 15772 PRO 48 N -0.0021 -0.0003 -0.0064 15773 PRO 48 CA -0.0009 -0.0004 -0.0051 15774 PRO 48 C 0.0003 -0.0006 -0.0057 15775 PRO 48 O 0.0012 -0.0007 -0.0070 15776 PRO 48 CB -0.0022 -0.0002 -0.0037 15777 PRO 48 CG -0.0037 0.0000 -0.0039 15778 PRO 48 CD -0.0039 -0.0001 -0.0058 15779 PRO 48 HA -0.0002 -0.0005 -0.0046 15780 PRO 48 HB2 -0.0025 -0.0002 -0.0040 15781 PRO 48 HB3 -0.0016 -0.0002 -0.0025 15782 PRO 48 HG2 -0.0048 0.0002 -0.0034 15783 PRO 48 HG3 -0.0035 -0.0000 -0.0033 15784 PRO 48 HD2 -0.0046 0.0000 -0.0064 15785 PRO 48 HD3 -0.0046 0.0000 -0.0062 15786 ALA 49 N -0.0010 0.0005 -0.0051 15787 ALA 49 CA -0.0003 0.0004 -0.0052 15788 ALA 49 C -0.0003 0.0007 -0.0068 15789 ALA 49 O 0.0008 0.0006 -0.0073 15790 ALA 49 CB -0.0011 0.0004 -0.0042 15791 ALA 49 H -0.0017 0.0005 -0.0043 15792 ALA 49 HA 0.0007 0.0002 -0.0049 15793 ALA 49 HB1 -0.0003 0.0001 -0.0035 15794 ALA 49 HB2 -0.0016 0.0006 -0.0048 15795 ALA 49 HB3 -0.0019 0.0004 -0.0036 15796 SER 50 N -0.0015 0.0010 -0.0076 15797 SER 50 CA -0.0015 0.0012 -0.0090 15798 SER 50 C -0.0004 0.0012 -0.0100 15799 SER 50 O 0.0006 0.0011 -0.0106 15800 SER 50 CB -0.0030 0.0015 -0.0096 15801 SER 50 OG -0.0038 0.0016 -0.0096 15802 SER 50 H -0.0023 0.0010 -0.0072 15803 SER 50 HA -0.0013 0.0011 -0.0090 15804 SER 50 HB2 -0.0035 0.0015 -0.0090 15805 SER 50 HB3 -0.0029 0.0017 -0.0107 15806 SER 50 HG -0.0031 0.0015 -0.0094 15807 GLU 51 N -0.0005 0.0012 -0.0103 15808 GLU 51 CA 0.0005 0.0012 -0.0112 15809 GLU 51 C 0.0020 0.0009 -0.0107 15810 GLU 51 O 0.0031 0.0009 -0.0115 15811 GLU 51 CB 0.0000 0.0013 -0.0114 15812 GLU 51 CG -0.0015 0.0016 -0.0119 15813 GLU 51 CD -0.0016 0.0019 -0.0134 15814 GLU 51 OE1 -0.0015 0.0020 -0.0144 15815 GLU 51 OE2 -0.0017 0.0019 -0.0137 15816 GLU 51 H -0.0012 0.0013 -0.0097 15817 GLU 51 HA 0.0005 0.0014 -0.0123 15818 GLU 51 HB2 0.0001 0.0012 -0.0103 15819 GLU 51 HB3 0.0007 0.0013 -0.0121 15820 GLU 51 HG2 -0.0020 0.0017 -0.0118 15821 GLU 51 HG3 -0.0021 0.0016 -0.0112 15822 ALA 52 N 0.0022 0.0007 -0.0093 15823 ALA 52 CA 0.0036 0.0003 -0.0086 15824 ALA 52 C 0.0043 0.0003 -0.0091 15825 ALA 52 O 0.0056 0.0001 -0.0091 15826 ALA 52 CB 0.0034 0.0001 -0.0070 15827 ALA 52 H 0.0013 0.0007 -0.0087 15828 ALA 52 HA 0.0042 0.0003 -0.0090 15829 ALA 52 HB1 0.0032 0.0001 -0.0067 15830 ALA 52 HB2 0.0043 -0.0001 -0.0065 15831 ALA 52 HB3 0.0024 0.0002 -0.0067 15832 GLY 53 N 0.0035 0.0005 -0.0095 15833 GLY 53 CA 0.0041 0.0005 -0.0100 15834 GLY 53 C 0.0032 0.0005 -0.0094 15835 GLY 53 O 0.0034 0.0006 -0.0099 15836 GLY 53 H 0.0024 0.0007 -0.0095 15837 GLY 53 HA2 0.0041 0.0007 -0.0112 15838 GLY 53 HA3 0.0051 0.0002 -0.0097 15839 LEU 54 N 0.0023 0.0005 -0.0083 15840 LEU 54 CA 0.0015 0.0005 -0.0077 15841 LEU 54 C 0.0003 0.0009 -0.0087 15842 LEU 54 O -0.0007 0.0011 -0.0091 15843 LEU 54 CB 0.0008 0.0004 -0.0063 15844 LEU 54 CG 0.0003 0.0003 -0.0052 15845 LEU 54 CD1 -0.0001 0.0002 -0.0038 15846 LEU 54 CD2 -0.0010 0.0006 -0.0058 15847 LEU 54 H 0.0022 0.0004 -0.0080 15848 LEU 54 HA 0.0022 0.0004 -0.0075 15849 LEU 54 HB2 0.0015 0.0002 -0.0057 15850 LEU 54 HB3 -0.0002 0.0006 -0.0065 15851 LEU 54 HG 0.0012 0.0002 -0.0051 15852 LEU 54 HD11 0.0008 -0.0001 -0.0033 15853 LEU 54 HD12 -0.0004 0.0001 -0.0031 15854 LEU 54 HD13 -0.0010 0.0003 -0.0039 15855 LEU 54 HD21 -0.0013 0.0006 -0.0051 15856 LEU 54 HD22 -0.0006 0.0007 -0.0068 15857 LEU 54 HD23 -0.0018 0.0008 -0.0060 15858 ARG 55 N 0.0001 0.0011 -0.0039 15859 ARG 55 CA -0.0001 0.0012 -0.0041 15860 ARG 55 C -0.0003 0.0012 -0.0039 15861 ARG 55 O -0.0002 0.0012 -0.0037 15862 ARG 55 CB 0.0001 0.0012 -0.0043 15863 ARG 55 CG 0.0003 0.0011 -0.0042 15864 ARG 55 CD 0.0003 0.0010 -0.0039 15865 ARG 55 NE 0.0002 0.0011 -0.0040 15866 ARG 55 CZ 0.0003 0.0010 -0.0039 15867 ARG 55 NH1 0.0004 0.0009 -0.0037 15868 ARG 55 NH2 0.0002 0.0011 -0.0040 15869 ARG 55 H 0.0003 0.0010 -0.0039 15870 ARG 55 HA -0.0002 0.0013 -0.0042 15871 ARG 55 HB2 -0.0001 0.0012 -0.0043 15872 ARG 55 HB3 0.0001 0.0012 -0.0045 15873 ARG 55 HG2 0.0004 0.0011 -0.0043 15874 ARG 55 HG3 0.0004 0.0010 -0.0041 15875 ARG 55 HD2 0.0005 0.0010 -0.0038 15876 ARG 55 HD3 0.0001 0.0011 -0.0038 15877 ARG 55 HE 0.0001 0.0012 -0.0042 15878 ARG 55 HH11 0.0005 0.0009 -0.0036 15879 ARG 55 HH12 0.0005 0.0009 -0.0036 15880 ARG 55 HH21 0.0000 0.0012 -0.0042 15881 ARG 55 HH22 0.0002 0.0011 -0.0040 15882 GLN 56 N -0.0005 0.0013 -0.0039 15883 GLN 56 CA -0.0008 0.0014 -0.0037 15884 GLN 56 C -0.0007 0.0014 -0.0037 15885 GLN 56 O -0.0007 0.0014 -0.0039 15886 GLN 56 CB -0.0010 0.0015 -0.0039 15887 GLN 56 CG -0.0012 0.0016 -0.0037 15888 GLN 56 CD -0.0015 0.0017 -0.0037 15889 GLN 56 OE1 -0.0015 0.0017 -0.0038 15890 GLN 56 NE2 -0.0017 0.0017 -0.0037 15891 GLN 56 H -0.0006 0.0014 -0.0041 15892 GLN 56 HA -0.0007 0.0014 -0.0035 15893 GLN 56 HB2 -0.0010 0.0015 -0.0039 15894 GLN 56 HB3 -0.0010 0.0016 -0.0040 15895 GLN 56 HG2 -0.0013 0.0016 -0.0037 15896 GLN 56 HG3 -0.0012 0.0015 -0.0035 15897 GLN 56 HE21 -0.0017 0.0017 -0.0036 15898 GLN 56 HE22 -0.0019 0.0018 -0.0037 15899 GLY 57 N -0.0008 0.0013 -0.0034 15900 GLY 57 CA -0.0007 0.0013 -0.0034 15901 GLY 57 C -0.0005 0.0012 -0.0033 15902 GLY 57 O -0.0003 0.0012 -0.0035 15903 GLY 57 H -0.0008 0.0013 -0.0033 15904 GLY 57 HA2 -0.0009 0.0013 -0.0032 15905 GLY 57 HA3 -0.0008 0.0014 -0.0036 15906 ASP 58 N -0.0004 0.0011 -0.0031 15907 ASP 58 CA -0.0001 0.0010 -0.0030 15908 ASP 58 C -0.0001 0.0010 -0.0027 15909 ASP 58 O -0.0003 0.0010 -0.0026 15910 ASP 58 CB 0.0001 0.0010 -0.0031 15911 ASP 58 CG 0.0004 0.0009 -0.0032 15912 ASP 58 OD1 0.0004 0.0008 -0.0030 15913 ASP 58 OD2 0.0005 0.0008 -0.0034 15914 ASP 58 H -0.0005 0.0012 -0.0030 15915 ASP 58 HA -0.0000 0.0010 -0.0031 15916 ASP 58 HB2 0.0000 0.0010 -0.0033 15917 ASP 58 HB3 0.0001 0.0009 -0.0030 15918 LEU 59 N 0.0001 0.0009 -0.0026 15919 LEU 59 CA 0.0001 0.0008 -0.0023 15920 LEU 59 C 0.0003 0.0007 -0.0022 15921 LEU 59 O 0.0005 0.0006 -0.0023 15922 LEU 59 CB 0.0001 0.0008 -0.0022 15923 LEU 59 CG 0.0002 0.0007 -0.0019 15924 LEU 59 CD1 0.0000 0.0007 -0.0017 15925 LEU 59 CD2 0.0004 0.0006 -0.0019 15926 LEU 59 H 0.0002 0.0008 -0.0027 15927 LEU 59 HA -0.0001 0.0009 -0.0022 15928 LEU 59 HB2 -0.0000 0.0008 -0.0022 15929 LEU 59 HB3 0.0003 0.0007 -0.0024 15930 LEU 59 HG 0.0004 0.0006 -0.0019 15931 LEU 59 HD11 -0.0000 0.0007 -0.0017 15932 LEU 59 HD12 0.0001 0.0007 -0.0015 15933 LEU 59 HD13 -0.0001 0.0008 -0.0017 15934 LEU 59 HD21 0.0002 0.0007 -0.0020 15935 LEU 59 HD22 0.0004 0.0006 -0.0017 15936 LEU 59 HD23 0.0005 0.0006 -0.0020 15937 ILE 60 N 0.0002 0.0007 -0.0020 15938 ILE 60 CA 0.0004 0.0006 -0.0019 15939 ILE 60 C 0.0006 0.0005 -0.0017 15940 ILE 60 O 0.0005 0.0005 -0.0015 15941 ILE 60 CB 0.0003 0.0006 -0.0018 15942 ILE 60 CG1 0.0002 0.0007 -0.0020 15943 ILE 60 CG2 0.0005 0.0005 -0.0016 15944 ILE 60 CD1 -0.0001 0.0008 -0.0021 15945 ILE 60 H 0.0000 0.0008 -0.0019 15946 ILE 60 HA 0.0005 0.0006 -0.0020 15947 ILE 60 HB 0.0001 0.0007 -0.0016 15948 ILE 60 HG12 0.0001 0.0007 -0.0019 15949 ILE 60 HG13 0.0003 0.0007 -0.0022 15950 ILE 60 HG21 0.0004 0.0006 -0.0015 15951 ILE 60 HG22 0.0006 0.0005 -0.0017 15952 ILE 60 HG23 0.0005 0.0005 -0.0014 15953 ILE 60 HD11 -0.0002 0.0009 -0.0019 15954 ILE 60 HD12 -0.0001 0.0008 -0.0022 15955 ILE 60 HD13 -0.0002 0.0009 -0.0022 15956 THR 61 N -0.0001 0.0026 -0.0035 15957 THR 61 CA -0.0001 0.0027 -0.0036 15958 THR 61 C 0.0004 0.0023 -0.0028 15959 THR 61 O 0.0002 0.0020 -0.0027 15960 THR 61 CB 0.0001 0.0038 -0.0040 15961 THR 61 OG1 0.0010 0.0042 -0.0036 15962 THR 61 CG2 -0.0004 0.0042 -0.0048 15963 THR 61 H 0.0003 0.0030 -0.0033 15964 THR 61 HA -0.0007 0.0024 -0.0039 15965 THR 61 HB 0.0001 0.0038 -0.0041 15966 THR 61 HG1 0.0013 0.0041 -0.0032 15967 THR 61 HG21 -0.0003 0.0041 -0.0047 15968 THR 61 HG22 -0.0010 0.0038 -0.0051 15969 THR 61 HG23 -0.0002 0.0049 -0.0051 15970 HIS 62 N 0.0010 0.0024 -0.0022 15971 HIS 62 CA 0.0016 0.0021 -0.0015 15972 HIS 62 C 0.0020 0.0017 -0.0009 15973 HIS 62 O 0.0019 0.0019 -0.0010 15974 HIS 62 CB 0.0023 0.0028 -0.0014 15975 HIS 62 CG 0.0020 0.0032 -0.0019 15976 HIS 62 ND1 0.0018 0.0040 -0.0026 15977 HIS 62 CD2 0.0019 0.0030 -0.0018 15978 HIS 62 CE1 0.0016 0.0041 -0.0029 15979 HIS 62 NE2 0.0017 0.0036 -0.0024 15980 HIS 62 H 0.0011 0.0027 -0.0023 15981 HIS 62 HA 0.0013 0.0015 -0.0014 15982 HIS 62 HB2 0.0026 0.0033 -0.0014 15983 HIS 62 HB3 0.0027 0.0025 -0.0008 15984 HIS 62 HD2 0.0020 0.0024 -0.0013 15985 HIS 62 HE1 0.0015 0.0047 -0.0034 15986 HIS 62 HE2 0.0017 0.0036 -0.0025 15987 VAL 63 N 0.0023 0.0011 -0.0002 15988 VAL 63 CA 0.0027 0.0008 0.0005 15989 VAL 63 C 0.0035 0.0007 0.0012 15990 VAL 63 O 0.0034 0.0002 0.0014 15991 VAL 63 CB 0.0022 -0.0002 0.0006 15992 VAL 63 CG1 0.0018 -0.0008 0.0007 15993 VAL 63 CG2 0.0026 -0.0005 0.0012 15994 VAL 63 H 0.0023 0.0010 -0.0001 15995 VAL 63 HA 0.0030 0.0012 0.0004 15996 VAL 63 HB 0.0017 -0.0001 0.0001 15997 VAL 63 HG11 0.0015 -0.0006 0.0002 15998 VAL 63 HG12 0.0014 -0.0015 0.0008 15999 VAL 63 HG13 0.0023 -0.0009 0.0012 16000 VAL 63 HG21 0.0023 -0.0013 0.0014 16001 VAL 63 HG22 0.0026 -0.0002 0.0010 16002 VAL 63 HG23 0.0032 -0.0004 0.0017 16003 ASN 64 N 0.0042 0.0012 0.0015 16004 ASN 64 CA 0.0049 0.0012 0.0022 16005 ASN 64 C 0.0050 0.0015 0.0021 16006 ASN 64 O 0.0053 0.0012 0.0026 16007 ASN 64 CB 0.0050 0.0003 0.0029 16008 ASN 64 CG 0.0056 0.0003 0.0035 16009 ASN 64 OD1 0.0057 0.0008 0.0033 16010 ASN 64 ND2 0.0060 -0.0003 0.0042 16011 ASN 64 H 0.0042 0.0016 0.0013 16012 ASN 64 HA 0.0054 0.0017 0.0023 16013 ASN 64 HB2 0.0044 -0.0002 0.0027 16014 ASN 64 HB3 0.0051 0.0001 0.0032 16015 ASN 64 HD21 0.0058 -0.0006 0.0043 16016 ASN 64 HD22 0.0063 -0.0003 0.0046 16017 GLY 65 N 0.0047 0.0020 0.0014 16018 GLY 65 CA 0.0047 0.0023 0.0012 16019 GLY 65 C 0.0042 0.0016 0.0012 16020 GLY 65 O 0.0044 0.0014 0.0016 16021 GLY 65 H 0.0044 0.0023 0.0010 16022 GLY 65 HA2 0.0045 0.0029 0.0007 16023 GLY 65 HA3 0.0053 0.0026 0.0016 16024 GLU 66 N 0.0034 0.0011 0.0009 16025 GLU 66 CA 0.0029 0.0003 0.0009 16026 GLU 66 C 0.0020 0.0003 0.0001 16027 GLU 66 O 0.0017 0.0000 0.0000 16028 GLU 66 CB 0.0029 -0.0005 0.0015 16029 GLU 66 CG 0.0028 -0.0012 0.0019 16030 GLU 66 CD 0.0034 -0.0008 0.0021 16031 GLU 66 OE1 0.0041 -0.0007 0.0027 16032 GLU 66 OE2 0.0031 -0.0006 0.0017 16033 GLU 66 H 0.0033 0.0013 0.0006 16034 GLU 66 HA 0.0030 0.0004 0.0009 16035 GLU 66 HB2 0.0035 -0.0003 0.0020 16036 GLU 66 HB3 0.0025 -0.0008 0.0013 16037 GLU 66 HG2 0.0030 -0.0018 0.0024 16038 GLU 66 HG3 0.0022 -0.0015 0.0015 16039 PRO 67 N 0.0002 0.0006 -0.0009 16040 PRO 67 CA -0.0001 0.0006 -0.0010 16041 PRO 67 C -0.0002 0.0004 -0.0010 16042 PRO 67 O -0.0002 0.0001 -0.0009 16043 PRO 67 CB -0.0004 0.0005 -0.0011 16044 PRO 67 CG -0.0002 0.0006 -0.0010 16045 PRO 67 CD 0.0002 0.0006 -0.0009 16046 PRO 67 HA -0.0002 0.0009 -0.0010 16047 PRO 67 HB2 -0.0005 0.0002 -0.0011 16048 PRO 67 HB3 -0.0006 0.0007 -0.0012 16049 PRO 67 HG2 -0.0002 0.0004 -0.0010 16050 PRO 67 HG3 -0.0002 0.0009 -0.0011 16051 PRO 67 HD2 0.0003 0.0004 -0.0008 16052 PRO 67 HD3 0.0004 0.0009 -0.0008 16053 VAL 68 N -0.0003 0.0006 -0.0011 16054 VAL 68 CA -0.0004 0.0004 -0.0011 16055 VAL 68 C -0.0008 0.0003 -0.0012 16056 VAL 68 O -0.0010 0.0001 -0.0012 16057 VAL 68 CB -0.0004 0.0006 -0.0011 16058 VAL 68 CG1 0.0000 0.0007 -0.0009 16059 VAL 68 CG2 -0.0005 0.0010 -0.0012 16060 VAL 68 H -0.0003 0.0008 -0.0011 16061 VAL 68 HA -0.0003 0.0001 -0.0010 16062 VAL 68 HB -0.0004 0.0005 -0.0011 16063 VAL 68 HG11 0.0001 0.0009 -0.0009 16064 VAL 68 HG12 0.0002 0.0005 -0.0009 16065 VAL 68 HG13 0.0001 0.0009 -0.0009 16066 VAL 68 HG21 -0.0008 0.0009 -0.0013 16067 VAL 68 HG22 -0.0005 0.0011 -0.0012 16068 VAL 68 HG23 -0.0005 0.0011 -0.0012 16069 HIS 69 N -0.0010 0.0004 -0.0013 16070 HIS 69 CA -0.0013 0.0004 -0.0014 16071 HIS 69 C -0.0014 -0.0000 -0.0014 16072 HIS 69 O -0.0014 -0.0002 -0.0013 16073 HIS 69 CB -0.0014 0.0006 -0.0015 16074 HIS 69 CG -0.0014 0.0010 -0.0016 16075 HIS 69 ND1 -0.0016 0.0012 -0.0016 16076 HIS 69 CD2 -0.0013 0.0012 -0.0015 16077 HIS 69 CE1 -0.0016 0.0015 -0.0017 16078 HIS 69 NE2 -0.0014 0.0016 -0.0016 16079 HIS 69 H -0.0008 0.0006 -0.0013 16080 HIS 69 HA -0.0015 0.0005 -0.0015 16081 HIS 69 HB2 -0.0012 0.0006 -0.0014 16082 HIS 69 HB3 -0.0016 0.0005 -0.0015 16083 HIS 69 HD2 -0.0012 0.0011 -0.0015 16084 HIS 69 HE1 -0.0017 0.0018 -0.0018 16085 HIS 69 HE2 -0.0014 0.0017 -0.0017 16086 GLY 70 N -0.0016 -0.0002 -0.0014 16087 GLY 70 CA -0.0017 -0.0006 -0.0014 16088 GLY 70 C -0.0014 -0.0008 -0.0013 16089 GLY 70 O -0.0015 -0.0012 -0.0013 16090 GLY 70 H -0.0016 -0.0001 -0.0015 16091 GLY 70 HA2 -0.0019 -0.0006 -0.0015 16092 GLY 70 HA3 -0.0017 -0.0007 -0.0014 16093 LEU 71 N -0.0012 -0.0007 -0.0012 16094 LEU 71 CA -0.0009 -0.0009 -0.0011 16095 LEU 71 C -0.0011 -0.0009 -0.0011 16096 LEU 71 O -0.0012 -0.0007 -0.0012 16097 LEU 71 CB -0.0006 -0.0006 -0.0010 16098 LEU 71 CG -0.0003 -0.0006 -0.0009 16099 LEU 71 CD1 0.0000 -0.0005 -0.0008 16100 LEU 71 CD2 -0.0003 -0.0010 -0.0008 16101 LEU 71 H -0.0011 -0.0004 -0.0012 16102 LEU 71 HA -0.0009 -0.0011 -0.0010 16103 LEU 71 HB2 -0.0006 -0.0004 -0.0010 16104 LEU 71 HB3 -0.0004 -0.0008 -0.0009 16105 LEU 71 HG -0.0005 -0.0005 -0.0010 16106 LEU 71 HD11 0.0002 -0.0004 -0.0007 16107 LEU 71 HD12 0.0001 -0.0006 -0.0007 16108 LEU 71 HD13 -0.0000 -0.0002 -0.0008 16109 LEU 71 HD21 -0.0006 -0.0011 -0.0009 16110 LEU 71 HD22 -0.0003 -0.0012 -0.0008 16111 LEU 71 HD23 -0.0001 -0.0010 -0.0007 16112 VAL 72 N -0.0010 -0.0012 -0.0011 16113 VAL 72 CA -0.0011 -0.0013 -0.0011 16114 VAL 72 C -0.0009 -0.0012 -0.0010 16115 VAL 72 O -0.0006 -0.0010 -0.0009 16116 VAL 72 CB -0.0012 -0.0017 -0.0010 16117 VAL 72 CG1 -0.0009 -0.0019 -0.0009 16118 VAL 72 CG2 -0.0015 -0.0018 -0.0012 16119 VAL 72 H -0.0009 -0.0014 -0.0010 16120 VAL 72 HA -0.0014 -0.0012 -0.0012 16121 VAL 72 HB -0.0013 -0.0019 -0.0011 16122 VAL 72 HG11 -0.0009 -0.0022 -0.0009 16123 VAL 72 HG12 -0.0009 -0.0018 -0.0009 16124 VAL 72 HG13 -0.0007 -0.0018 -0.0008 16125 VAL 72 HG21 -0.0015 -0.0017 -0.0011 16126 VAL 72 HG22 -0.0016 -0.0021 -0.0011 16127 VAL 72 HG23 -0.0017 -0.0017 -0.0013 16128 HIS 73 N -0.0017 -0.0016 0.0003 16129 HIS 73 CA -0.0018 -0.0016 0.0003 16130 HIS 73 C -0.0015 -0.0017 0.0006 16131 HIS 73 O -0.0013 -0.0015 0.0006 16132 HIS 73 CB -0.0022 -0.0019 0.0002 16133 HIS 73 CG -0.0023 -0.0018 0.0001 16134 HIS 73 ND1 -0.0023 -0.0016 -0.0003 16135 HIS 73 CD2 -0.0023 -0.0020 0.0002 16136 HIS 73 CE1 -0.0024 -0.0017 -0.0004 16137 HIS 73 NE2 -0.0024 -0.0019 -0.0000 16138 HIS 73 H -0.0020 -0.0017 0.0002 16139 HIS 73 HA -0.0017 -0.0014 0.0000 16140 HIS 73 HB2 -0.0024 -0.0019 0.0000 16141 HIS 73 HB3 -0.0022 -0.0021 0.0005 16142 HIS 73 HD1 -0.0023 -0.0015 -0.0005 16143 HIS 73 HD2 -0.0023 -0.0021 0.0006 16144 HIS 73 HE1 -0.0024 -0.0015 -0.0006 16145 THR 74 N -0.0016 -0.0019 0.0010 16146 THR 74 CA -0.0014 -0.0020 0.0014 16147 THR 74 C -0.0010 -0.0018 0.0015 16148 THR 74 O -0.0008 -0.0018 0.0017 16149 THR 74 CB -0.0016 -0.0023 0.0017 16150 THR 74 OG1 -0.0015 -0.0023 0.0018 16151 THR 74 CG2 -0.0020 -0.0025 0.0015 16152 THR 74 H -0.0018 -0.0020 0.0010 16153 THR 74 HA -0.0014 -0.0020 0.0013 16154 THR 74 HB -0.0015 -0.0024 0.0019 16155 THR 74 HG1 -0.0014 -0.0024 0.0020 16156 THR 74 HG21 -0.0021 -0.0025 0.0015 16157 THR 74 HG22 -0.0022 -0.0027 0.0016 16158 THR 74 HG23 -0.0021 -0.0024 0.0012 16159 GLU 75 N -0.0009 -0.0016 0.0014 16160 GLU 75 CA -0.0005 -0.0014 0.0015 16161 GLU 75 C -0.0002 -0.0012 0.0014 16162 GLU 75 O 0.0001 -0.0011 0.0016 16163 GLU 75 CB -0.0005 -0.0013 0.0014 16164 GLU 75 CG -0.0006 -0.0016 0.0017 16165 GLU 75 CD -0.0006 -0.0015 0.0015 16166 GLU 75 OE1 -0.0008 -0.0015 0.0013 16167 GLU 75 OE2 -0.0003 -0.0014 0.0017 16168 GLU 75 H -0.0011 -0.0016 0.0012 16169 GLU 75 HA -0.0004 -0.0016 0.0018 16170 GLU 75 HB2 -0.0007 -0.0013 0.0011 16171 GLU 75 HB3 -0.0002 -0.0011 0.0014 16172 GLU 75 HG2 -0.0004 -0.0016 0.0020 16173 GLU 75 HG3 -0.0008 -0.0018 0.0017 16174 VAL 76 N -0.0003 -0.0010 0.0010 16175 VAL 76 CA -0.0001 -0.0008 0.0009 16176 VAL 76 C -0.0001 -0.0009 0.0011 16177 VAL 76 O 0.0002 -0.0007 0.0012 16178 VAL 76 CB -0.0002 -0.0006 0.0004 16179 VAL 76 CG1 -0.0002 -0.0004 0.0002 16180 VAL 76 CG2 -0.0007 -0.0008 0.0003 16181 VAL 76 H -0.0006 -0.0011 0.0008 16182 VAL 76 HA 0.0002 -0.0006 0.0009 16183 VAL 76 HB -0.0001 -0.0005 0.0003 16184 VAL 76 HG11 -0.0003 -0.0006 0.0003 16185 VAL 76 HG12 0.0001 -0.0003 0.0003 16186 VAL 76 HG13 -0.0003 -0.0003 -0.0001 16187 VAL 76 HG21 -0.0008 -0.0010 0.0005 16188 VAL 76 HG22 -0.0008 -0.0008 -0.0000 16189 VAL 76 HG23 -0.0007 -0.0008 0.0002 16190 VAL 77 N -0.0004 -0.0011 0.0011 16191 VAL 77 CA -0.0004 -0.0012 0.0013 16192 VAL 77 C -0.0001 -0.0013 0.0017 16193 VAL 77 O 0.0001 -0.0012 0.0019 16194 VAL 77 CB -0.0008 -0.0015 0.0014 16195 VAL 77 CG1 -0.0008 -0.0017 0.0016 16196 VAL 77 CG2 -0.0011 -0.0015 0.0009 16197 VAL 77 H -0.0006 -0.0012 0.0010 16198 VAL 77 HA -0.0003 -0.0011 0.0012 16199 VAL 77 HB -0.0008 -0.0017 0.0015 16200 VAL 77 HG11 -0.0011 -0.0019 0.0016 16201 VAL 77 HG12 -0.0007 -0.0015 0.0014 16202 VAL 77 HG13 -0.0006 -0.0017 0.0018 16203 VAL 77 HG21 -0.0011 -0.0015 0.0009 16204 VAL 77 HG22 -0.0009 -0.0013 0.0007 16205 VAL 77 HG23 -0.0013 -0.0017 0.0009 16206 GLU 78 N -0.0001 -0.0014 0.0019 16207 GLU 78 CA 0.0001 -0.0015 0.0023 16208 GLU 78 C 0.0005 -0.0012 0.0023 16209 GLU 78 O 0.0008 -0.0011 0.0026 16210 GLU 78 CB 0.0000 -0.0017 0.0025 16211 GLU 78 CG -0.0003 -0.0020 0.0027 16212 GLU 78 CD -0.0004 -0.0022 0.0029 16213 GLU 78 OE1 -0.0001 -0.0021 0.0031 16214 GLU 78 OE2 -0.0007 -0.0024 0.0029 16215 GLU 78 H -0.0003 -0.0015 0.0018 16216 GLU 78 HA 0.0001 -0.0016 0.0025 16217 GLU 78 HB2 -0.0000 -0.0016 0.0023 16218 GLU 78 HB3 0.0003 -0.0016 0.0028 16219 GLU 78 HG2 -0.0003 -0.0021 0.0029 16220 GLU 78 HG3 -0.0006 -0.0020 0.0024 16221 LEU 79 N 0.0008 -0.0024 0.0040 16222 LEU 79 CA 0.0017 -0.0016 0.0039 16223 LEU 79 C 0.0021 -0.0012 0.0040 16224 LEU 79 O 0.0029 -0.0008 0.0045 16225 LEU 79 CB 0.0017 -0.0010 0.0029 16226 LEU 79 CG 0.0024 -0.0004 0.0030 16227 LEU 79 CD1 0.0034 0.0001 0.0034 16228 LEU 79 CD2 0.0023 -0.0009 0.0037 16229 LEU 79 H 0.0003 -0.0025 0.0035 16230 LEU 79 HA 0.0021 -0.0016 0.0046 16231 LEU 79 HB2 0.0010 -0.0014 0.0026 16232 LEU 79 HB3 0.0017 -0.0006 0.0024 16233 LEU 79 HG 0.0023 -0.0001 0.0023 16234 LEU 79 HD11 0.0035 -0.0002 0.0042 16235 LEU 79 HD12 0.0034 0.0005 0.0029 16236 LEU 79 HD13 0.0039 0.0005 0.0035 16237 LEU 79 HD21 0.0017 -0.0016 0.0040 16238 LEU 79 HD22 0.0029 -0.0008 0.0044 16239 LEU 79 HD23 0.0022 -0.0008 0.0033 16240 ILE 80 N 0.0015 -0.0014 0.0034 16241 ILE 80 CA 0.0018 -0.0012 0.0034 16242 ILE 80 C 0.0020 -0.0016 0.0045 16243 ILE 80 O 0.0027 -0.0012 0.0049 16244 ILE 80 CB 0.0011 -0.0013 0.0025 16245 ILE 80 CG1 0.0011 -0.0007 0.0015 16246 ILE 80 CG2 0.0012 -0.0013 0.0027 16247 ILE 80 CD1 0.0002 -0.0009 0.0006 16248 ILE 80 H 0.0009 -0.0018 0.0031 16249 ILE 80 HA 0.0024 -0.0005 0.0032 16250 ILE 80 HB 0.0004 -0.0019 0.0026 16251 ILE 80 HG12 0.0016 -0.0001 0.0013 16252 ILE 80 HG13 0.0013 -0.0005 0.0015 16253 ILE 80 HG21 0.0019 -0.0007 0.0028 16254 ILE 80 HG22 0.0010 -0.0018 0.0033 16255 ILE 80 HG23 0.0008 -0.0012 0.0020 16256 ILE 80 HD11 0.0003 -0.0005 -0.0001 16257 ILE 80 HD12 0.0000 -0.0011 0.0005 16258 ILE 80 HD13 -0.0003 -0.0015 0.0008 16259 LEU 81 N 0.0013 -0.0024 0.0049 16260 LEU 81 CA 0.0014 -0.0029 0.0059 16261 LEU 81 C 0.0022 -0.0027 0.0067 16262 LEU 81 O 0.0027 -0.0027 0.0074 16263 LEU 81 CB 0.0005 -0.0038 0.0062 16264 LEU 81 CG -0.0004 -0.0041 0.0054 16265 LEU 81 CD1 -0.0012 -0.0050 0.0057 16266 LEU 81 CD2 -0.0003 -0.0041 0.0055 16267 LEU 81 H 0.0007 -0.0027 0.0045 16268 LEU 81 HA 0.0015 -0.0028 0.0058 16269 LEU 81 HB2 0.0004 -0.0039 0.0062 16270 LEU 81 HB3 0.0006 -0.0041 0.0069 16271 LEU 81 HG -0.0004 -0.0037 0.0046 16272 LEU 81 HD11 -0.0013 -0.0050 0.0055 16273 LEU 81 HD12 -0.0018 -0.0052 0.0052 16274 LEU 81 HD13 -0.0011 -0.0054 0.0065 16275 LEU 81 HD21 -0.0009 -0.0043 0.0050 16276 LEU 81 HD22 0.0003 -0.0035 0.0052 16277 LEU 81 HD23 -0.0002 -0.0044 0.0063 16278 LYS 82 N 0.0023 -0.0025 0.0067 16279 LYS 82 CA 0.0031 -0.0023 0.0075 16280 LYS 82 C 0.0040 -0.0015 0.0075 16281 LYS 82 O 0.0046 -0.0015 0.0083 16282 LYS 82 CB 0.0031 -0.0022 0.0072 16283 LYS 82 CG 0.0036 -0.0022 0.0081 16284 LYS 82 CD 0.0040 -0.0017 0.0077 16285 LYS 82 CE 0.0033 -0.0019 0.0071 16286 LYS 82 NZ 0.0037 -0.0015 0.0069 16287 LYS 82 H 0.0019 -0.0026 0.0061 16288 LYS 82 HA 0.0030 -0.0028 0.0082 16289 LYS 82 HB2 0.0024 -0.0026 0.0069 16290 LYS 82 HB3 0.0034 -0.0016 0.0066 16291 LYS 82 HG2 0.0041 -0.0021 0.0086 16292 LYS 82 HG3 0.0031 -0.0028 0.0085 16293 LYS 82 HD2 0.0044 -0.0011 0.0072 16294 LYS 82 HD3 0.0045 -0.0016 0.0084 16295 LYS 82 HE2 0.0028 -0.0026 0.0075 16296 LYS 82 HE3 0.0029 -0.0018 0.0063 16297 LYS 82 HZ1 0.0040 -0.0017 0.0076 16298 LYS 82 HZ2 0.0042 -0.0009 0.0065 16299 LYS 82 HZ3 0.0032 -0.0017 0.0065 16300 SER 83 N 0.0041 -0.0010 0.0066 16301 SER 83 CA 0.0049 -0.0002 0.0065 16302 SER 83 C 0.0052 -0.0003 0.0072 16303 SER 83 O 0.0061 0.0001 0.0076 16304 SER 83 CB 0.0048 0.0003 0.0053 16305 SER 83 OG 0.0056 0.0011 0.0052 16306 SER 83 H 0.0036 -0.0011 0.0059 16307 SER 83 HA 0.0055 0.0001 0.0067 16308 SER 83 HB2 0.0046 0.0004 0.0048 16309 SER 83 HB3 0.0043 0.0000 0.0051 16310 SER 83 HG 0.0056 0.0011 0.0051 16311 GLY 84 N 0.0046 -0.0009 0.0072 16312 GLY 84 CA 0.0048 -0.0011 0.0079 16313 GLY 84 C 0.0045 -0.0010 0.0073 16314 GLY 84 O 0.0037 -0.0013 0.0066 16315 GLY 84 H 0.0040 -0.0012 0.0068 16316 GLY 84 HA2 0.0046 -0.0016 0.0085 16317 GLY 84 HA3 0.0056 -0.0006 0.0082 16318 ASN 85 N 0.0058 -0.0029 0.0080 16319 ASN 85 CA 0.0056 -0.0027 0.0075 16320 ASN 85 C 0.0055 -0.0019 0.0064 16321 ASN 85 O 0.0054 -0.0016 0.0058 16322 ASN 85 CB 0.0064 -0.0025 0.0081 16323 ASN 85 CG 0.0075 -0.0019 0.0084 16324 ASN 85 OD1 0.0077 -0.0014 0.0080 16325 ASN 85 ND2 0.0082 -0.0019 0.0091 16326 ASN 85 H 0.0065 -0.0028 0.0086 16327 ASN 85 HA 0.0048 -0.0033 0.0075 16328 ASN 85 HB2 0.0062 -0.0023 0.0076 16329 ASN 85 HB3 0.0062 -0.0032 0.0088 16330 ASN 85 HD21 0.0079 -0.0023 0.0094 16331 ASN 85 HD22 0.0089 -0.0015 0.0093 16332 LYS 86 N 0.0056 -0.0016 0.0060 16333 LYS 86 CA 0.0055 -0.0009 0.0049 16334 LYS 86 C 0.0053 -0.0008 0.0046 16335 LYS 86 O 0.0054 -0.0013 0.0053 16336 LYS 86 CB 0.0065 0.0000 0.0048 16337 LYS 86 CG 0.0075 0.0002 0.0056 16338 LYS 86 CD 0.0084 0.0012 0.0052 16339 LYS 86 CE 0.0094 0.0013 0.0060 16340 LYS 86 NZ 0.0094 0.0011 0.0064 16341 LYS 86 H 0.0057 -0.0019 0.0065 16342 LYS 86 HA 0.0049 -0.0010 0.0044 16343 LYS 86 HB2 0.0065 0.0005 0.0040 16344 LYS 86 HB3 0.0066 0.0000 0.0048 16345 LYS 86 HG2 0.0077 -0.0002 0.0063 16346 LYS 86 HG3 0.0074 -0.0001 0.0058 16347 LYS 86 HD2 0.0082 0.0015 0.0045 16348 LYS 86 HD3 0.0085 0.0014 0.0049 16349 LYS 86 HE2 0.0100 0.0020 0.0057 16350 LYS 86 HE3 0.0096 0.0010 0.0067 16351 LYS 86 HZ1 0.0102 0.0014 0.0067 16352 LYS 86 HZ2 0.0090 0.0012 0.0057 16353 LYS 86 HZ3 0.0091 0.0004 0.0069 16354 VAL 87 N 0.0051 -0.0002 0.0036 16355 VAL 87 CA 0.0049 -0.0001 0.0033 16356 VAL 87 C 0.0049 0.0007 0.0022 16357 VAL 87 O 0.0047 0.0010 0.0015 16358 VAL 87 CB 0.0038 -0.0009 0.0032 16359 VAL 87 CG1 0.0030 -0.0010 0.0024 16360 VAL 87 CG2 0.0036 -0.0009 0.0030 16361 VAL 87 H 0.0051 0.0001 0.0032 16362 VAL 87 HA 0.0054 -0.0001 0.0038 16363 VAL 87 HB 0.0038 -0.0015 0.0040 16364 VAL 87 HG11 0.0022 -0.0015 0.0023 16365 VAL 87 HG12 0.0031 -0.0003 0.0017 16366 VAL 87 HG13 0.0030 -0.0012 0.0027 16367 VAL 87 HG21 0.0039 -0.0003 0.0024 16368 VAL 87 HG22 0.0028 -0.0014 0.0028 16369 VAL 87 HG23 0.0040 -0.0011 0.0037 16370 ALA 88 N 0.0053 0.0011 0.0020 16371 ALA 88 CA 0.0054 0.0019 0.0010 16372 ALA 88 C 0.0044 0.0017 0.0003 16373 ALA 88 O 0.0043 0.0016 0.0003 16374 ALA 88 CB 0.0063 0.0025 0.0012 16375 ALA 88 H 0.0054 0.0008 0.0026 16376 ALA 88 HA 0.0055 0.0023 0.0006 16377 ALA 88 HB1 0.0070 0.0027 0.0016 16378 ALA 88 HB2 0.0063 0.0031 0.0005 16379 ALA 88 HB3 0.0062 0.0021 0.0016 16380 ILE 89 N 0.0037 0.0017 -0.0004 16381 ILE 89 CA 0.0027 0.0015 -0.0012 16382 ILE 89 C 0.0029 0.0024 -0.0022 16383 ILE 89 O 0.0031 0.0030 -0.0027 16384 ILE 89 CB 0.0018 0.0010 -0.0015 16385 ILE 89 CG1 0.0009 0.0010 -0.0024 16386 ILE 89 CG2 0.0021 0.0014 -0.0017 16387 ILE 89 CD1 -0.0001 0.0004 -0.0026 16388 ILE 89 H 0.0038 0.0018 -0.0005 16389 ILE 89 HA 0.0026 0.0011 -0.0008 16390 ILE 89 HB 0.0016 0.0003 -0.0008 16391 ILE 89 HG12 0.0011 0.0017 -0.0031 16392 ILE 89 HG13 0.0008 0.0008 -0.0023 16393 ILE 89 HG21 0.0027 0.0013 -0.0009 16394 ILE 89 HG22 0.0014 0.0011 -0.0020 16395 ILE 89 HG23 0.0025 0.0021 -0.0023 16396 ILE 89 HD11 -0.0007 0.0005 -0.0033 16397 ILE 89 HD12 0.0000 0.0004 -0.0025 16398 ILE 89 HD13 -0.0004 -0.0003 -0.0020 16399 SER 90 N 0.0028 0.0025 -0.0024 16400 SER 90 CA 0.0030 0.0033 -0.0033 16401 SER 90 C 0.0020 0.0032 -0.0042 16402 SER 90 O 0.0013 0.0027 -0.0042 16403 SER 90 CB 0.0035 0.0035 -0.0030 16404 SER 90 OG 0.0044 0.0044 -0.0034 16405 SER 90 H 0.0026 0.0020 -0.0019 16406 SER 90 HA 0.0035 0.0038 -0.0035 16407 SER 90 HB2 0.0038 0.0030 -0.0022 16408 SER 90 HB3 0.0030 0.0033 -0.0034 16409 SER 90 HG 0.0044 0.0047 -0.0038 16410 THR 91 N -0.0005 0.0021 -0.0059 16411 THR 91 CA 0.0007 0.0023 -0.0043 16412 THR 91 C -0.0002 0.0014 -0.0028 16413 THR 91 O -0.0017 0.0006 -0.0031 16414 THR 91 CB 0.0018 0.0028 -0.0036 16415 THR 91 OG1 0.0009 0.0020 -0.0030 16416 THR 91 CG2 0.0028 0.0037 -0.0050 16417 THR 91 H -0.0011 0.0017 -0.0058 16418 THR 91 HA 0.0015 0.0029 -0.0048 16419 THR 91 HB 0.0027 0.0029 -0.0024 16420 THR 91 HG1 0.0013 0.0019 -0.0017 16421 THR 91 HG21 0.0020 0.0036 -0.0062 16422 THR 91 HG22 0.0036 0.0043 -0.0053 16423 THR 91 HG23 0.0035 0.0040 -0.0045 16424 THR 92 N 0.0007 0.0015 -0.0013 16425 THR 92 CA -0.0001 0.0006 0.0001 16426 THR 92 C 0.0001 0.0002 0.0019 16427 THR 92 O 0.0015 0.0007 0.0029 16428 THR 92 CB 0.0005 0.0008 0.0006 16429 THR 92 OG1 -0.0001 -0.0000 0.0022 16430 THR 92 CG2 0.0024 0.0018 0.0009 16431 THR 92 H 0.0019 0.0021 -0.0011 16432 THR 92 HA -0.0014 -0.0000 -0.0003 16433 THR 92 HB 0.0001 0.0009 -0.0006 16434 THR 92 HG1 0.0006 0.0001 0.0032 16435 THR 92 HG21 0.0028 0.0018 0.0019 16436 THR 92 HG22 0.0028 0.0024 -0.0003 16437 THR 92 HG23 0.0027 0.0019 0.0014 16438 PRO 93 N -0.0012 -0.0006 0.0022 16439 PRO 93 CA -0.0011 -0.0011 0.0038 16440 PRO 93 C -0.0007 -0.0013 0.0056 16441 PRO 93 O -0.0005 -0.0012 0.0056 16442 PRO 93 CB -0.0029 -0.0021 0.0037 16443 PRO 93 CG -0.0036 -0.0019 0.0017 16444 PRO 93 CD -0.0027 -0.0012 0.0010 16445 PRO 93 HA -0.0003 -0.0006 0.0037 16446 PRO 93 HB2 -0.0035 -0.0027 0.0045 16447 PRO 93 HB3 -0.0029 -0.0022 0.0041 16448 PRO 93 HG2 -0.0049 -0.0027 0.0016 16449 PRO 93 HG3 -0.0034 -0.0016 0.0010 16450 PRO 93 HD2 -0.0034 -0.0016 0.0010 16451 PRO 93 HD3 -0.0025 -0.0007 -0.0004 16452 LEU 94 N -0.0005 -0.0017 0.0071 16453 LEU 94 CA -0.0001 -0.0019 0.0089 16454 LEU 94 C -0.0014 -0.0029 0.0094 16455 LEU 94 O -0.0028 -0.0034 0.0086 16456 LEU 94 CB 0.0002 -0.0022 0.0103 16457 LEU 94 CG -0.0002 -0.0022 0.0096 16458 LEU 94 CD1 -0.0021 -0.0032 0.0092 16459 LEU 94 CD2 0.0005 -0.0022 0.0109 16460 LEU 94 H -0.0007 -0.0017 0.0069 16461 LEU 94 HA 0.0010 -0.0013 0.0089 16462 LEU 94 HB2 -0.0005 -0.0029 0.0113 16463 LEU 94 HB3 0.0015 -0.0016 0.0108 16464 LEU 94 HG 0.0002 -0.0016 0.0083 16465 LEU 94 HD11 -0.0025 -0.0031 0.0079 16466 LEU 94 HD12 -0.0024 -0.0034 0.0092 16467 LEU 94 HD13 -0.0026 -0.0038 0.0102 16468 LEU 94 HD21 0.0001 -0.0023 0.0104 16469 LEU 94 HD22 0.0018 -0.0015 0.0111 16470 LEU 94 HD23 0.0001 -0.0028 0.0122 16471 GLU 95 N -0.0009 -0.0030 0.0108 16472 GLU 95 CA -0.0021 -0.0038 0.0114 16473 GLU 95 C -0.0014 -0.0040 0.0134 16474 GLU 95 O 0.0001 -0.0033 0.0139 16475 GLU 95 CB -0.0024 -0.0037 0.0102 16476 GLU 95 CG -0.0009 -0.0029 0.0104 16477 GLU 95 CD 0.0003 -0.0018 0.0092 16478 GLU 95 OE1 -0.0001 -0.0016 0.0075 16479 GLU 95 OE2 0.0018 -0.0011 0.0099 16480 GLU 95 H 0.0002 -0.0025 0.0114 16481 GLU 95 HA -0.0032 -0.0045 0.0114 16482 GLU 95 HB2 -0.0034 -0.0044 0.0105 16483 GLU 95 HB3 -0.0026 -0.0034 0.0088 16484 GLU 95 HG2 -0.0004 -0.0029 0.0118 16485 GLU 95 HG3 -0.0014 -0.0030 0.0100 16486 ASN 96 N -0.0025 -0.0050 0.0144 16487 ASN 96 CA -0.0021 -0.0052 0.0162 16488 ASN 96 C -0.0014 -0.0049 0.0163 16489 ASN 96 O -0.0018 -0.0047 0.0149 16490 ASN 96 CB -0.0035 -0.0064 0.0173 16491 ASN 96 CG -0.0049 -0.0070 0.0165 16492 ASN 96 OD1 -0.0050 -0.0071 0.0167 16493 ASN 96 ND2 -0.0062 -0.0075 0.0156 16494 ASN 96 OXT -0.0005 -0.0047 0.0177 16495 ASN 96 H -0.0037 -0.0055 0.0138 16496 ASN 96 HA -0.0011 -0.0048 0.0169 16497 ASN 96 HB2 -0.0031 -0.0066 0.0187 16498 ASN 96 HB3 -0.0039 -0.0066 0.0174 16499 ASN 96 HD21 -0.0061 -0.0074 0.0155 16500 ASN 96 HD22 -0.0071 -0.0079 0.0150 16501 SER 101 N 0.0038 -0.0091 0.0190 16502 SER 101 CA 0.0053 -0.0074 0.0170 16503 SER 101 C 0.0054 -0.0064 0.0153 16504 SER 101 O 0.0034 -0.0064 0.0142 16505 SER 101 CB 0.0040 -0.0069 0.0154 16506 SER 101 OG 0.0030 -0.0082 0.0169 16507 SER 101 H1 0.0019 -0.0093 0.0183 16508 SER 101 H2 0.0048 -0.0094 0.0202 16509 SER 101 H3 0.0034 -0.0097 0.0199 16510 SER 101 HA 0.0073 -0.0071 0.0178 16511 SER 101 HB2 0.0023 -0.0068 0.0141 16512 SER 101 HB3 0.0054 -0.0059 0.0144 16513 SER 101 HG 0.0029 -0.0077 0.0161 16514 TRP 102 N 0.0079 -0.0055 0.0153 16515 TRP 102 CA 0.0084 -0.0045 0.0138 16516 TRP 102 C 0.0114 -0.0035 0.0140 16517 TRP 102 O 0.0128 -0.0041 0.0160 16518 TRP 102 CB 0.0070 -0.0055 0.0147 16519 TRP 102 CG 0.0071 -0.0045 0.0131 16520 TRP 102 CD1 0.0083 -0.0029 0.0111 16521 TRP 102 CD2 0.0058 -0.0051 0.0134 16522 TRP 102 NE1 0.0079 -0.0025 0.0101 16523 TRP 102 CE2 0.0064 -0.0038 0.0115 16524 TRP 102 CE3 0.0043 -0.0066 0.0151 16525 TRP 102 CZ2 0.0056 -0.0040 0.0113 16526 TRP 102 CZ3 0.0034 -0.0068 0.0149 16527 TRP 102 CH2 0.0041 -0.0055 0.0130 16528 TRP 102 H 0.0095 -0.0055 0.0163 16529 TRP 102 HA 0.0075 -0.0037 0.0119 16530 TRP 102 HB2 0.0049 -0.0062 0.0148 16531 TRP 102 HB3 0.0080 -0.0062 0.0166 16532 TRP 102 HD1 0.0094 -0.0021 0.0104 16533 TRP 102 HE1 0.0086 -0.0014 0.0087 16534 TRP 102 HE3 0.0038 -0.0077 0.0166 16535 TRP 102 HZ2 0.0060 -0.0030 0.0098 16536 TRP 102 HZ3 0.0022 -0.0080 0.0162 16537 TRP 102 HH2 0.0033 -0.0057 0.0129 16538 GLU 103 N 0.0123 -0.0020 0.0119 16539 GLU 103 CA 0.0152 -0.0009 0.0118 16540 GLU 103 C 0.0156 -0.0005 0.0113 16541 GLU 103 O 0.0163 -0.0012 0.0130 16542 GLU 103 CB 0.0161 0.0006 0.0098 16543 GLU 103 CG 0.0159 0.0003 0.0103 16544 GLU 103 CD 0.0173 0.0017 0.0085 16545 GLU 103 OE1 0.0197 0.0023 0.0091 16546 GLU 103 OE2 0.0159 0.0024 0.0066 16547 GLU 103 H 0.0111 -0.0015 0.0104 16548 GLU 103 HA 0.0163 -0.0015 0.0136 16549 GLU 103 HB2 0.0148 0.0012 0.0080 16550 GLU 103 HB3 0.0181 0.0014 0.0097 16551 GLU 103 HG2 0.0168 -0.0005 0.0121 16552 GLU 103 HG3 0.0138 -0.0003 0.0100 16553 SER 104 N 0.0152 0.0007 0.0090 16554 SER 104 CA 0.0155 0.0013 0.0082 16555 SER 104 C 0.0132 0.0017 0.0061 16556 SER 104 O 0.0111 0.0011 0.0058 16557 SER 104 CB 0.0182 0.0027 0.0074 16558 SER 104 OG 0.0203 0.0025 0.0091 16559 SER 104 H 0.0146 0.0013 0.0077 16560 SER 104 HA 0.0154 0.0003 0.0098 16561 SER 104 HB2 0.0182 0.0037 0.0056 16562 SER 104 HB3 0.0187 0.0029 0.0073 16563 SER 104 HG 0.0196 0.0015 0.0103 16564 HIS 105 N 0.0136 0.0026 0.0048 16565 HIS 105 CA 0.0115 0.0030 0.0028 16566 HIS 105 C 0.0126 0.0048 0.0003 16567 HIS 105 O 0.0140 0.0057 -0.0004 16568 HIS 105 CB 0.0106 0.0025 0.0031 16569 HIS 105 CG 0.0087 0.0030 0.0010 16570 HIS 105 ND1 0.0071 0.0034 -0.0007 16571 HIS 105 CD2 0.0081 0.0032 0.0003 16572 HIS 105 CE1 0.0057 0.0039 -0.0023 16573 HIS 105 NE2 0.0062 0.0037 -0.0018 16574 HIS 105 H 0.0152 0.0029 0.0052 16575 HIS 105 HA 0.0098 0.0024 0.0027 16576 HIS 105 HB2 0.0097 0.0012 0.0048 16577 HIS 105 HB3 0.0123 0.0029 0.0034 16578 HIS 105 HD2 0.0090 0.0030 0.0013 16579 HIS 105 HE1 0.0043 0.0043 -0.0039 16580 HIS 105 HE2 0.0059 0.0043 -0.0030 16581 LYS 106 N 0.0119 0.0053 -0.0010 16582 LYS 106 CA 0.0127 0.0069 -0.0034 16583 LYS 106 C 0.0103 0.0071 -0.0052 16584 LYS 106 O 0.0105 0.0083 -0.0071 16585 LYS 106 CB 0.0149 0.0076 -0.0032 16586 LYS 106 CG 0.0176 0.0078 -0.0018 16587 LYS 106 CD 0.0199 0.0088 -0.0021 16588 LYS 106 CE 0.0226 0.0090 -0.0008 16589 LYS 106 NZ 0.0227 0.0075 0.0019 16590 LYS 106 H 0.0108 0.0045 -0.0003 16591 LYS 106 HA 0.0135 0.0076 -0.0040 16592 LYS 106 HB2 0.0143 0.0069 -0.0022 16593 LYS 106 HB3 0.0152 0.0088 -0.0050 16594 LYS 106 HG2 0.0181 0.0083 -0.0025 16595 LYS 106 HG3 0.0175 0.0066 0.0002 16596 LYS 106 HD2 0.0195 0.0082 -0.0014 16597 LYS 106 HD3 0.0200 0.0099 -0.0041 16598 LYS 106 HE2 0.0242 0.0098 -0.0012 16599 LYS 106 HE3 0.0229 0.0094 -0.0014 16600 LYS 106 HZ1 0.0246 0.0076 0.0028 16601 LYS 106 HZ2 0.0224 0.0070 0.0026 16602 LYS 106 HZ3 0.0213 0.0067 0.0024 16603 SER 107 N 0.0046 0.0020 -0.0013 16604 SER 107 CA 0.0044 0.0025 -0.0012 16605 SER 107 C 0.0035 0.0029 -0.0010 16606 SER 107 O 0.0032 0.0033 -0.0008 16607 SER 107 CB 0.0045 0.0020 -0.0013 16608 SER 107 OG 0.0049 0.0012 -0.0016 16609 SER 107 H 0.0044 0.0014 -0.0015 16610 SER 107 HA 0.0049 0.0030 -0.0011 16611 SER 107 HB2 0.0039 0.0019 -0.0013 16612 SER 107 HB3 0.0049 0.0024 -0.0013 16613 SER 107 HG 0.0045 0.0008 -0.0016 16614 GLY 108 N 0.0030 0.0027 -0.0010 16615 GLY 108 CA 0.0022 0.0030 -0.0008 16616 GLY 108 C 0.0017 0.0024 -0.0009 16617 GLY 108 O 0.0020 0.0019 -0.0010 16618 GLY 108 H 0.0033 0.0024 -0.0011 16619 GLY 108 HA2 0.0022 0.0036 -0.0006 16620 GLY 108 HA3 0.0019 0.0030 -0.0007 16621 GLY 109 N 0.0008 0.0025 -0.0007 16622 GLY 109 CA 0.0002 0.0020 -0.0008 16623 GLY 109 C -0.0000 0.0012 -0.0009 16624 GLY 109 O 0.0005 0.0008 -0.0011 16625 GLY 109 H 0.0006 0.0030 -0.0006 16626 GLY 109 HA2 0.0006 0.0018 -0.0009 16627 GLY 109 HA3 -0.0003 0.0023 -0.0006 16628 GLU 110 N -0.0008 0.0009 -0.0009 16629 GLU 110 CA -0.0012 0.0001 -0.0010 16630 GLU 110 C -0.0021 0.0003 -0.0009 16631 GLU 110 O -0.0027 -0.0002 -0.0009 16632 GLU 110 CB -0.0013 -0.0006 -0.0012 16633 GLU 110 CG -0.0004 -0.0008 -0.0014 16634 GLU 110 CD -0.0005 -0.0014 -0.0015 16635 GLU 110 OE1 -0.0006 -0.0010 -0.0014 16636 GLU 110 OE2 -0.0005 -0.0022 -0.0017 16637 GLU 110 H -0.0012 0.0012 -0.0008 16638 GLU 110 HA -0.0008 -0.0000 -0.0011 16639 GLU 110 HB2 -0.0017 -0.0004 -0.0011 16640 GLU 110 HB3 -0.0016 -0.0011 -0.0013 16641 GLU 110 HG2 -0.0001 -0.0012 -0.0015 16642 GLU 110 HG3 -0.0000 -0.0003 -0.0013 16643 THR 111 N -0.0021 0.0010 -0.0007 16644 THR 111 CA -0.0029 0.0013 -0.0005 16645 THR 111 C -0.0031 0.0008 -0.0006 16646 THR 111 O -0.0027 0.0009 -0.0007 16647 THR 111 CB -0.0029 0.0023 -0.0003 16648 THR 111 OG1 -0.0026 0.0027 -0.0002 16649 THR 111 CG2 -0.0038 0.0026 -0.0001 16650 THR 111 H -0.0016 0.0014 -0.0007 16651 THR 111 HA -0.0035 0.0012 -0.0005 16652 THR 111 HB -0.0024 0.0024 -0.0003 16653 THR 111 HG1 -0.0028 0.0025 -0.0003 16654 THR 111 HG21 -0.0037 0.0032 0.0000 16655 THR 111 HG22 -0.0042 0.0025 -0.0001 16656 THR 111 HG23 -0.0040 0.0022 -0.0002 16657 ARG 112 N -0.0037 0.0002 -0.0007 16658 ARG 112 CA -0.0039 -0.0004 -0.0008 16659 ARG 112 C -0.0046 -0.0001 -0.0006 16660 ARG 112 O -0.0051 0.0004 -0.0004 16661 ARG 112 CB -0.0040 -0.0013 -0.0010 16662 ARG 112 CG -0.0047 -0.0014 -0.0009 16663 ARG 112 CD -0.0053 -0.0022 -0.0010 16664 ARG 112 NE -0.0058 -0.0022 -0.0010 16665 ARG 112 CZ -0.0063 -0.0029 -0.0011 16666 ARG 112 NH1 -0.0063 -0.0036 -0.0012 16667 ARG 112 NH2 -0.0068 -0.0028 -0.0010 16668 ARG 112 H -0.0040 0.0001 -0.0007 16669 ARG 112 HA -0.0033 -0.0004 -0.0009 16670 ARG 112 HB2 -0.0043 -0.0017 -0.0011 16671 ARG 112 HB3 -0.0034 -0.0016 -0.0011 16672 ARG 112 HG2 -0.0044 -0.0013 -0.0010 16673 ARG 112 HG3 -0.0051 -0.0008 -0.0007 16674 ARG 112 HD2 -0.0048 -0.0027 -0.0012 16675 ARG 112 HD3 -0.0057 -0.0022 -0.0010 16676 ARG 112 HE -0.0058 -0.0017 -0.0008 16677 ARG 112 HH11 -0.0059 -0.0036 -0.0013 16678 ARG 112 HH12 -0.0066 -0.0041 -0.0013 16679 ARG 112 HH21 -0.0068 -0.0023 -0.0009 16680 ARG 112 HH22 -0.0071 -0.0033 -0.0011 16681 LEU 113 N -0.0043 -0.0020 -0.0003 16682 LEU 113 CA -0.0039 -0.0019 0.0001 16683 LEU 113 C -0.0044 -0.0021 -0.0003 16684 LEU 113 O -0.0053 -0.0023 -0.0004 16685 LEU 113 CB -0.0029 -0.0016 -0.0001 16686 LEU 113 CG -0.0022 -0.0014 0.0005 16687 LEU 113 CD1 -0.0025 -0.0013 0.0016 16688 LEU 113 CD2 -0.0023 -0.0015 0.0002 16689 LEU 113 OXT -0.0039 -0.0020 -0.0007 16690 LEU 113 H -0.0041 -0.0020 -0.0009 16691 LEU 113 HA -0.0041 -0.0018 0.0009 16692 LEU 113 HB2 -0.0027 -0.0017 -0.0008 16693 LEU 113 HB3 -0.0027 -0.0016 0.0000 16694 LEU 113 HG -0.0015 -0.0012 0.0004 16695 LEU 113 HD11 -0.0020 -0.0012 0.0020 16696 LEU 113 HD12 -0.0032 -0.0015 0.0017 16697 LEU 113 HD13 -0.0024 -0.0013 0.0018 16698 LEU 113 HD21 -0.0019 -0.0013 0.0007 16699 LEU 113 HD22 -0.0021 -0.0015 -0.0005 16700 LEU 113 HD23 -0.0031 -0.0016 0.0003