1 GLY 1 N -0.0089 -0.0026 0.0114 2 GLY 1 CA -0.0081 -0.0012 0.0095 3 GLY 1 C -0.0049 -0.0021 0.0073 4 GLY 1 O -0.0038 -0.0014 0.0058 5 GLY 1 H1 -0.0111 -0.0018 0.0128 6 GLY 1 H2 -0.0082 -0.0050 0.0123 7 GLY 1 H3 -0.0082 -0.0021 0.0103 8 GLY 1 HA2 -0.0090 0.0013 0.0087 9 GLY 1 HA3 -0.0087 -0.0019 0.0106 10 GLY 2 N -0.0036 -0.0038 0.0073 11 GLY 2 CA -0.0006 -0.0048 0.0053 12 GLY 2 C 0.0007 -0.0079 0.0063 13 GLY 2 O -0.0008 -0.0091 0.0084 14 GLY 2 H -0.0047 -0.0043 0.0086 15 GLY 2 HA2 0.0002 -0.0048 0.0045 16 GLY 2 HA3 -0.0002 -0.0032 0.0037 17 SER 3 N 0.0034 -0.0094 0.0048 18 SER 3 CA 0.0048 -0.0124 0.0056 19 SER 3 C 0.0072 -0.0125 0.0035 20 SER 3 O 0.0084 -0.0108 0.0012 21 SER 3 CB 0.0060 -0.0147 0.0062 22 SER 3 OG 0.0038 -0.0145 0.0080 23 SER 3 H 0.0044 -0.0084 0.0032 24 SER 3 HA 0.0034 -0.0130 0.0074 25 SER 3 HB2 0.0076 -0.0143 0.0044 26 SER 3 HB3 0.0068 -0.0170 0.0071 27 SER 3 HG 0.0021 -0.0141 0.0093 28 MET 4 N 0.0077 -0.0143 0.0043 29 MET 4 CA 0.0099 -0.0147 0.0025 30 MET 4 C 0.0093 -0.0117 0.0010 31 MET 4 O 0.0103 -0.0098 -0.0012 32 MET 4 CB 0.0128 -0.0157 0.0007 33 MET 4 CG 0.0137 -0.0189 0.0021 34 MET 4 SD 0.0173 -0.0205 -0.0001 35 MET 4 CE 0.0188 -0.0213 -0.0010 36 MET 4 H 0.0066 -0.0156 0.0062 37 MET 4 HA 0.0099 -0.0164 0.0037 38 MET 4 HB2 0.0127 -0.0141 -0.0004 39 MET 4 HB3 0.0143 -0.0157 -0.0007 40 MET 4 HG2 0.0133 -0.0204 0.0035 41 MET 4 HG3 0.0125 -0.0188 0.0030 42 MET 4 HE1 0.0182 -0.0191 -0.0020 43 MET 4 HE2 0.0210 -0.0224 -0.0022 44 MET 4 HE3 0.0180 -0.0228 0.0008 45 ARG 5 N 0.0077 -0.0112 0.0021 46 ARG 5 CA 0.0070 -0.0085 0.0008 47 ARG 5 C 0.0096 -0.0087 -0.0014 48 ARG 5 O 0.0111 -0.0111 -0.0010 49 ARG 5 CB 0.0046 -0.0081 0.0028 50 ARG 5 CG 0.0019 -0.0073 0.0047 51 ARG 5 CD 0.0015 -0.0101 0.0070 52 ARG 5 NE -0.0009 -0.0093 0.0087 53 ARG 5 CZ -0.0014 -0.0112 0.0105 54 ARG 5 NH1 0.0003 -0.0142 0.0110 55 ARG 5 NH2 -0.0037 -0.0103 0.0119 56 ARG 5 H 0.0070 -0.0128 0.0039 57 ARG 5 HA 0.0064 -0.0065 0.0000 58 ARG 5 HB2 0.0051 -0.0103 0.0039 59 ARG 5 HB3 0.0045 -0.0064 0.0017 60 ARG 5 HG2 0.0002 -0.0062 0.0055 61 ARG 5 HG3 0.0017 -0.0057 0.0037 62 ARG 5 HD2 0.0034 -0.0114 0.0062 63 ARG 5 HD3 0.0014 -0.0115 0.0082 64 ARG 5 HE -0.0023 -0.0071 0.0084 65 ARG 5 HH11 0.0021 -0.0149 0.0099 66 ARG 5 HH12 -0.0001 -0.0156 0.0123 67 ARG 5 HH21 -0.0050 -0.0081 0.0116 68 ARG 5 HH22 -0.0041 -0.0117 0.0133 69 PRO 6 N 0.0102 -0.0061 -0.0037 70 PRO 6 CA 0.0126 -0.0061 -0.0059 71 PRO 6 C 0.0120 -0.0053 -0.0060 72 PRO 6 O 0.0104 -0.0028 -0.0062 73 PRO 6 CB 0.0131 -0.0035 -0.0083 74 PRO 6 CG 0.0108 -0.0022 -0.0071 75 PRO 6 CD 0.0086 -0.0031 -0.0043 76 PRO 6 HA 0.0143 -0.0082 -0.0061 77 PRO 6 HB2 0.0131 -0.0018 -0.0094 78 PRO 6 HB3 0.0151 -0.0044 -0.0094 79 PRO 6 HG2 0.0101 0.0003 -0.0081 80 PRO 6 HG3 0.0115 -0.0031 -0.0071 81 PRO 6 HD2 0.0073 -0.0016 -0.0043 82 PRO 6 HD3 0.0073 -0.0032 -0.0031 83 PRO 7 N 0.0043 -0.0053 -0.0006 84 PRO 7 CA 0.0036 -0.0046 -0.0005 85 PRO 7 C 0.0027 -0.0048 -0.0011 86 PRO 7 O 0.0024 -0.0052 -0.0015 87 PRO 7 CB 0.0036 -0.0040 -0.0002 88 PRO 7 CG 0.0043 -0.0043 0.0000 89 PRO 7 CD 0.0046 -0.0053 -0.0004 90 PRO 7 HA 0.0038 -0.0042 -0.0002 91 PRO 7 HB2 0.0029 -0.0040 -0.0005 92 PRO 7 HB3 0.0035 -0.0033 0.0002 93 PRO 7 HG2 0.0042 -0.0042 -0.0000 94 PRO 7 HG3 0.0049 -0.0040 0.0005 95 PRO 7 HD2 0.0043 -0.0056 -0.0008 96 PRO 7 HD3 0.0053 -0.0055 -0.0002 97 ILE 8 N 0.0023 -0.0045 -0.0011 98 ILE 8 CA 0.0015 -0.0047 -0.0016 99 ILE 8 C 0.0008 -0.0039 -0.0016 100 ILE 8 O 0.0007 -0.0032 -0.0012 101 ILE 8 CB 0.0014 -0.0048 -0.0017 102 ILE 8 CG1 0.0023 -0.0053 -0.0015 103 ILE 8 CG2 0.0008 -0.0053 -0.0024 104 ILE 8 CD1 0.0024 -0.0052 -0.0015 105 ILE 8 H 0.0026 -0.0042 -0.0008 106 ILE 8 HA 0.0014 -0.0053 -0.0020 107 ILE 8 HB 0.0012 -0.0042 -0.0015 108 ILE 8 HG12 0.0025 -0.0060 -0.0019 109 ILE 8 HG13 0.0028 -0.0050 -0.0011 110 ILE 8 HG21 0.0001 -0.0050 -0.0025 111 ILE 8 HG22 0.0007 -0.0054 -0.0024 112 ILE 8 HG23 0.0010 -0.0060 -0.0026 113 ILE 8 HD11 0.0018 -0.0050 -0.0016 114 ILE 8 HD12 0.0029 -0.0049 -0.0010 115 ILE 8 HD13 0.0027 -0.0059 -0.0017 116 ILE 9 N 0.0002 -0.0041 -0.0019 117 ILE 9 CA -0.0004 -0.0034 -0.0019 118 ILE 9 C -0.0013 -0.0032 -0.0022 119 ILE 9 O -0.0018 -0.0037 -0.0027 120 ILE 9 CB -0.0008 -0.0036 -0.0022 121 ILE 9 CG1 0.0000 -0.0041 -0.0021 122 ILE 9 CG2 -0.0012 -0.0028 -0.0019 123 ILE 9 CD1 0.0007 -0.0036 -0.0014 124 ILE 9 H 0.0003 -0.0047 -0.0022 125 ILE 9 HA -0.0002 -0.0028 -0.0014 126 ILE 9 HB -0.0013 -0.0040 -0.0026 127 ILE 9 HG12 0.0004 -0.0047 -0.0022 128 ILE 9 HG13 -0.0002 -0.0044 -0.0023 129 ILE 9 HG21 -0.0018 -0.0025 -0.0020 130 ILE 9 HG22 -0.0014 -0.0029 -0.0021 131 ILE 9 HG23 -0.0007 -0.0023 -0.0014 132 ILE 9 HD11 0.0012 -0.0040 -0.0014 133 ILE 9 HD12 0.0010 -0.0035 -0.0012 134 ILE 9 HD13 0.0004 -0.0030 -0.0013 135 ILE 10 N -0.0013 -0.0025 -0.0018 136 ILE 10 CA -0.0021 -0.0022 -0.0020 137 ILE 10 C -0.0028 -0.0017 -0.0021 138 ILE 10 O -0.0027 -0.0015 -0.0020 139 ILE 10 CB -0.0019 -0.0016 -0.0016 140 ILE 10 CG1 -0.0011 -0.0020 -0.0014 141 ILE 10 CG2 -0.0027 -0.0014 -0.0019 142 ILE 10 CD1 -0.0005 -0.0013 -0.0008 143 ILE 10 H -0.0009 -0.0022 -0.0014 144 ILE 10 HA -0.0023 -0.0028 -0.0024 145 ILE 10 HB -0.0018 -0.0010 -0.0012 146 ILE 10 HG12 -0.0013 -0.0022 -0.0016 147 ILE 10 HG13 -0.0007 -0.0025 -0.0015 148 ILE 10 HG21 -0.0025 -0.0012 -0.0016 149 ILE 10 HG22 -0.0029 -0.0020 -0.0023 150 ILE 10 HG23 -0.0032 -0.0009 -0.0019 151 ILE 10 HD11 -0.0003 -0.0011 -0.0005 152 ILE 10 HD12 0.0000 -0.0017 -0.0006 153 ILE 10 HD13 -0.0009 -0.0008 -0.0007 154 HIS 11 N -0.0036 -0.0016 -0.0024 155 HIS 11 CA -0.0044 -0.0011 -0.0026 156 HIS 11 C -0.0050 -0.0005 -0.0026 157 HIS 11 O -0.0054 -0.0009 -0.0029 158 HIS 11 CB -0.0049 -0.0017 -0.0031 159 HIS 11 CG -0.0057 -0.0012 -0.0033 160 HIS 11 ND1 -0.0065 -0.0013 -0.0037 161 HIS 11 CD2 -0.0057 -0.0007 -0.0030 162 HIS 11 CE1 -0.0071 -0.0008 -0.0038 163 HIS 11 NE2 -0.0066 -0.0005 -0.0033 164 HIS 11 H -0.0037 -0.0018 -0.0026 165 HIS 11 HA -0.0042 -0.0007 -0.0022 166 HIS 11 HB2 -0.0044 -0.0021 -0.0031 167 HIS 11 HB3 -0.0051 -0.0021 -0.0035 168 HIS 11 HD2 -0.0052 -0.0006 -0.0027 169 HIS 11 HE1 -0.0078 -0.0007 -0.0041 170 HIS 11 HE2 -0.0069 -0.0002 -0.0033 171 ARG 12 N -0.0051 0.0003 -0.0021 172 ARG 12 CA -0.0057 0.0009 -0.0021 173 ARG 12 C -0.0067 0.0009 -0.0026 174 ARG 12 O -0.0071 0.0012 -0.0026 175 ARG 12 CB -0.0056 0.0018 -0.0015 176 ARG 12 CG -0.0061 0.0025 -0.0014 177 ARG 12 CD -0.0059 0.0034 -0.0008 178 ARG 12 NE -0.0063 0.0040 -0.0006 179 ARG 12 CZ -0.0067 0.0048 -0.0004 180 ARG 12 NH1 -0.0068 0.0051 -0.0003 181 ARG 12 NH2 -0.0072 0.0054 -0.0003 182 ARG 12 H -0.0048 0.0005 -0.0019 183 ARG 12 HA -0.0055 0.0007 -0.0021 184 ARG 12 HB2 -0.0049 0.0018 -0.0012 185 ARG 12 HB3 -0.0058 0.0020 -0.0015 186 ARG 12 HG2 -0.0068 0.0026 -0.0017 187 ARG 12 HG3 -0.0059 0.0023 -0.0014 188 ARG 12 HD2 -0.0051 0.0033 -0.0005 189 ARG 12 HD3 -0.0060 0.0036 -0.0008 190 ARG 12 HE -0.0063 0.0039 -0.0007 191 ARG 12 HH11 -0.0065 0.0047 -0.0004 192 ARG 12 HH12 -0.0071 0.0057 -0.0001 193 ARG 12 HH21 -0.0072 0.0052 -0.0004 194 ARG 12 HH22 -0.0075 0.0060 -0.0001 195 ALA 13 N -0.0075 -0.0002 -0.0031 196 ALA 13 CA -0.0086 -0.0003 -0.0037 197 ALA 13 C -0.0092 0.0007 -0.0037 198 ALA 13 O -0.0097 0.0006 -0.0039 199 ALA 13 CB -0.0087 -0.0014 -0.0040 200 ALA 13 H -0.0070 -0.0006 -0.0030 201 ALA 13 HA -0.0089 -0.0005 -0.0039 202 ALA 13 HB1 -0.0084 -0.0021 -0.0041 203 ALA 13 HB2 -0.0095 -0.0014 -0.0044 204 ALA 13 HB3 -0.0082 -0.0013 -0.0038 205 GLY 14 N -0.0092 0.0016 -0.0034 206 GLY 14 CA -0.0097 0.0027 -0.0033 207 GLY 14 C -0.0093 0.0031 -0.0029 208 GLY 14 O -0.0097 0.0038 -0.0030 209 GLY 14 H -0.0088 0.0016 -0.0032 210 GLY 14 HA2 -0.0097 0.0033 -0.0031 211 GLY 14 HA3 -0.0105 0.0025 -0.0037 212 LYS 15 N -0.0083 0.0026 -0.0026 213 LYS 15 CA -0.0078 0.0029 -0.0023 214 LYS 15 C -0.0066 0.0030 -0.0017 215 LYS 15 O -0.0063 0.0039 -0.0013 216 LYS 15 CB -0.0079 0.0022 -0.0026 217 LYS 15 CG -0.0080 0.0010 -0.0030 218 LYS 15 CD -0.0076 0.0002 -0.0030 219 LYS 15 CE -0.0084 0.0002 -0.0034 220 LYS 15 NZ -0.0081 -0.0005 -0.0035 221 LYS 15 H -0.0079 0.0020 -0.0026 222 LYS 15 HA -0.0081 0.0038 -0.0022 223 LYS 15 HB2 -0.0073 0.0022 -0.0023 224 LYS 15 HB3 -0.0087 0.0025 -0.0028 225 LYS 15 HG2 -0.0087 0.0009 -0.0034 226 LYS 15 HG3 -0.0074 0.0008 -0.0028 227 LYS 15 HD2 -0.0074 -0.0006 -0.0032 228 LYS 15 HD3 -0.0069 0.0005 -0.0026 229 LYS 15 HE2 -0.0086 0.0010 -0.0033 230 LYS 15 HE3 -0.0091 -0.0001 -0.0038 231 LYS 15 HZ1 -0.0078 -0.0013 -0.0036 232 LYS 15 HZ2 -0.0087 -0.0005 -0.0038 233 LYS 15 HZ3 -0.0075 -0.0002 -0.0031 234 LYS 16 N -0.0060 0.0020 -0.0017 235 LYS 16 CA -0.0049 0.0020 -0.0012 236 LYS 16 C -0.0044 0.0009 -0.0013 237 LYS 16 O -0.0049 0.0001 -0.0018 238 LYS 16 CB -0.0044 0.0023 -0.0008 239 LYS 16 CG -0.0048 0.0018 -0.0012 240 LYS 16 CD -0.0044 0.0023 -0.0009 241 LYS 16 CE -0.0050 0.0020 -0.0013 242 LYS 16 NZ -0.0047 0.0025 -0.0009 243 LYS 16 H -0.0063 0.0014 -0.0021 244 LYS 16 HA -0.0048 0.0026 -0.0009 245 LYS 16 HB2 -0.0035 0.0020 -0.0005 246 LYS 16 HB3 -0.0045 0.0032 -0.0006 247 LYS 16 HG2 -0.0056 0.0019 -0.0016 248 LYS 16 HG3 -0.0045 0.0009 -0.0014 249 LYS 16 HD2 -0.0036 0.0020 -0.0006 250 LYS 16 HD3 -0.0046 0.0032 -0.0007 251 LYS 16 HE2 -0.0059 0.0022 -0.0016 252 LYS 16 HE3 -0.0049 0.0011 -0.0015 253 LYS 16 HZ1 -0.0053 0.0027 -0.0012 254 LYS 16 HZ2 -0.0044 0.0032 -0.0006 255 LYS 16 HZ3 -0.0041 0.0020 -0.0008 256 TYR 17 N -0.0034 0.0008 -0.0008 257 TYR 17 CA -0.0028 -0.0003 -0.0009 258 TYR 17 C -0.0025 -0.0010 -0.0009 259 TYR 17 O -0.0019 -0.0019 -0.0010 260 TYR 17 CB -0.0019 -0.0001 -0.0004 261 TYR 17 CG -0.0022 0.0008 -0.0003 262 TYR 17 CD1 -0.0022 0.0019 0.0001 263 TYR 17 CD2 -0.0026 0.0005 -0.0005 264 TYR 17 CE1 -0.0025 0.0027 0.0002 265 TYR 17 CE2 -0.0029 0.0013 -0.0005 266 TYR 17 CZ -0.0029 0.0024 -0.0001 267 TYR 17 OH -0.0032 0.0032 0.0000 268 TYR 17 H -0.0030 0.0014 -0.0005 269 TYR 17 HA -0.0034 -0.0007 -0.0013 270 TYR 17 HB2 -0.0013 0.0002 -0.0000 271 TYR 17 HB3 -0.0016 -0.0008 -0.0005 272 TYR 17 HD1 -0.0019 0.0022 0.0003 273 TYR 17 HD2 -0.0026 -0.0003 -0.0008 274 TYR 17 HE1 -0.0025 0.0036 0.0005 275 TYR 17 HE2 -0.0032 0.0011 -0.0007 276 TYR 17 HH -0.0036 0.0029 -0.0003 277 GLY 18 N -0.0027 -0.0006 -0.0009 278 GLY 18 CA -0.0025 -0.0012 -0.0010 279 GLY 18 C -0.0014 -0.0016 -0.0006 280 GLY 18 O -0.0011 -0.0026 -0.0008 281 GLY 18 H -0.0031 0.0001 -0.0009 282 GLY 18 HA2 -0.0027 -0.0007 -0.0010 283 GLY 18 HA3 -0.0029 -0.0019 -0.0014 284 PHE 19 N 0.0007 -0.0003 0.0010 285 PHE 19 CA 0.0010 -0.0004 0.0012 286 PHE 19 C 0.0013 -0.0001 0.0011 287 PHE 19 O 0.0012 0.0002 0.0010 288 PHE 19 CB 0.0009 -0.0006 0.0012 289 PHE 19 CG 0.0008 -0.0004 0.0011 290 PHE 19 CD1 0.0005 -0.0003 0.0009 291 PHE 19 CD2 0.0011 -0.0004 0.0012 292 PHE 19 CE1 0.0004 -0.0001 0.0008 293 PHE 19 CE2 0.0010 -0.0002 0.0011 294 PHE 19 CZ 0.0007 -0.0001 0.0009 295 PHE 19 H 0.0007 -0.0000 0.0009 296 PHE 19 HA 0.0011 -0.0005 0.0013 297 PHE 19 HB2 0.0011 -0.0007 0.0014 298 PHE 19 HB3 0.0007 -0.0008 0.0012 299 PHE 19 HD1 0.0003 -0.0003 0.0009 300 PHE 19 HD2 0.0013 -0.0005 0.0013 301 PHE 19 HE1 0.0002 -0.0000 0.0007 302 PHE 19 HE2 0.0012 -0.0002 0.0011 303 PHE 19 HZ 0.0006 0.0001 0.0008 304 THR 20 N 0.0016 -0.0001 0.0013 305 THR 20 CA 0.0019 0.0001 0.0013 306 THR 20 C 0.0020 0.0001 0.0014 307 THR 20 O 0.0021 -0.0001 0.0015 308 THR 20 CB 0.0022 0.0001 0.0014 309 THR 20 OG1 0.0021 0.0001 0.0014 310 THR 20 CG2 0.0025 0.0004 0.0015 311 THR 20 H 0.0016 -0.0003 0.0014 312 THR 20 HA 0.0018 0.0004 0.0012 313 THR 20 HB 0.0023 -0.0002 0.0016 314 THR 20 HG1 0.0018 0.0000 0.0013 315 THR 20 HG21 0.0026 0.0004 0.0015 316 THR 20 HG22 0.0027 0.0003 0.0016 317 THR 20 HG23 0.0025 0.0006 0.0013 318 LEU 21 N 0.0020 0.0004 0.0012 319 LEU 21 CA 0.0021 0.0004 0.0013 320 LEU 21 C 0.0025 0.0006 0.0014 321 LEU 21 O 0.0026 0.0009 0.0013 322 LEU 21 CB 0.0019 0.0006 0.0011 323 LEU 21 CG 0.0019 0.0005 0.0011 324 LEU 21 CD1 0.0019 0.0001 0.0013 325 LEU 21 CD2 0.0015 0.0005 0.0010 326 LEU 21 H 0.0019 0.0006 0.0011 327 LEU 21 HA 0.0021 0.0002 0.0014 328 LEU 21 HB2 0.0017 0.0006 0.0010 329 LEU 21 HB3 0.0021 0.0009 0.0010 330 LEU 21 HG 0.0020 0.0006 0.0011 331 LEU 21 HD11 0.0018 -0.0000 0.0013 332 LEU 21 HD12 0.0022 0.0001 0.0014 333 LEU 21 HD13 0.0019 0.0000 0.0013 334 LEU 21 HD21 0.0015 0.0004 0.0010 335 LEU 21 HD22 0.0014 0.0008 0.0008 336 LEU 21 HD23 0.0013 0.0003 0.0010 337 ARG 22 N 0.0027 0.0004 0.0015 338 ARG 22 CA 0.0031 0.0005 0.0017 339 ARG 22 C 0.0032 0.0006 0.0017 340 ARG 22 O 0.0032 0.0003 0.0017 341 ARG 22 CB 0.0033 0.0002 0.0019 342 ARG 22 CG 0.0036 0.0003 0.0019 343 ARG 22 CD 0.0035 0.0004 0.0018 344 ARG 22 NE 0.0038 0.0005 0.0019 345 ARG 22 CZ 0.0038 0.0006 0.0018 346 ARG 22 NH1 0.0035 0.0006 0.0017 347 ARG 22 NH2 0.0040 0.0007 0.0019 348 ARG 22 H 0.0027 0.0001 0.0016 349 ARG 22 HA 0.0032 0.0007 0.0016 350 ARG 22 HB2 0.0031 0.0000 0.0019 351 ARG 22 HB3 0.0034 0.0000 0.0020 352 ARG 22 HG2 0.0038 0.0001 0.0021 353 ARG 22 HG3 0.0038 0.0005 0.0019 354 ARG 22 HD2 0.0034 0.0006 0.0017 355 ARG 22 HD3 0.0033 0.0002 0.0018 356 ARG 22 HE 0.0040 0.0005 0.0020 357 ARG 22 HH11 0.0032 0.0006 0.0017 358 ARG 22 HH12 0.0034 0.0007 0.0017 359 ARG 22 HH21 0.0043 0.0007 0.0020 360 ARG 22 HH22 0.0040 0.0008 0.0019 361 ALA 23 N 0.0034 0.0009 0.0016 362 ALA 23 CA 0.0036 0.0010 0.0016 363 ALA 23 C 0.0039 0.0009 0.0018 364 ALA 23 O 0.0041 0.0010 0.0018 365 ALA 23 CB 0.0036 0.0014 0.0014 366 ALA 23 H 0.0034 0.0010 0.0015 367 ALA 23 HA 0.0034 0.0009 0.0016 368 ALA 23 HB1 0.0038 0.0015 0.0014 369 ALA 23 HB2 0.0033 0.0014 0.0013 370 ALA 23 HB3 0.0036 0.0015 0.0014 371 ILE 24 N 0.0040 0.0008 0.0019 372 ILE 24 CA 0.0043 0.0007 0.0020 373 ILE 24 C 0.0044 0.0007 0.0021 374 ILE 24 O 0.0043 0.0005 0.0021 375 ILE 24 CB 0.0044 0.0003 0.0022 376 ILE 24 CG1 0.0040 0.0001 0.0022 377 ILE 24 CG2 0.0045 0.0004 0.0023 378 ILE 24 CD1 0.0041 -0.0003 0.0024 379 ILE 24 H 0.0038 0.0007 0.0018 380 ILE 24 HA 0.0045 0.0009 0.0020 381 ILE 24 HB 0.0046 0.0002 0.0024 382 ILE 24 HG12 0.0039 0.0002 0.0021 383 ILE 24 HG13 0.0039 0.0001 0.0021 384 ILE 24 HG21 0.0044 0.0005 0.0022 385 ILE 24 HG22 0.0048 0.0005 0.0023 386 ILE 24 HG23 0.0046 0.0001 0.0024 387 ILE 24 HD11 0.0043 -0.0003 0.0025 388 ILE 24 HD12 0.0038 -0.0004 0.0024 389 ILE 24 HD13 0.0042 -0.0003 0.0024 390 ARG 25 N 0.0021 0.0000 0.0006 391 ARG 25 CA 0.0005 0.0002 -0.0005 392 ARG 25 C -0.0006 0.0011 -0.0006 393 ARG 25 O -0.0007 0.0005 -0.0012 394 ARG 25 CB 0.0004 -0.0014 -0.0018 395 ARG 25 CG 0.0014 -0.0023 -0.0018 396 ARG 25 CD 0.0013 -0.0039 -0.0031 397 ARG 25 NE 0.0021 -0.0048 -0.0033 398 ARG 25 CZ 0.0030 -0.0063 -0.0037 399 ARG 25 NH1 0.0034 -0.0070 -0.0040 400 ARG 25 NH2 0.0036 -0.0070 -0.0038 401 ARG 25 H 0.0028 -0.0009 0.0003 402 ARG 25 HA 0.0003 0.0008 -0.0002 403 ARG 25 HB2 0.0008 -0.0020 -0.0020 404 ARG 25 HB3 -0.0008 -0.0012 -0.0025 405 ARG 25 HG2 0.0011 -0.0017 -0.0016 406 ARG 25 HG3 0.0026 -0.0024 -0.0010 407 ARG 25 HD2 0.0001 -0.0037 -0.0039 408 ARG 25 HD3 0.0019 -0.0044 -0.0031 409 ARG 25 HE 0.0018 -0.0043 -0.0030 410 ARG 25 HH11 0.0029 -0.0064 -0.0039 411 ARG 25 HH12 0.0041 -0.0080 -0.0043 412 ARG 25 HH21 0.0034 -0.0065 -0.0036 413 ARG 25 HH22 0.0043 -0.0081 -0.0042 414 VAL 26 N -0.0014 0.0025 -0.0001 415 VAL 26 CA -0.0025 0.0035 -0.0001 416 VAL 26 C -0.0040 0.0033 -0.0014 417 VAL 26 O -0.0049 0.0037 -0.0018 418 VAL 26 CB -0.0028 0.0052 0.0010 419 VAL 26 CG1 -0.0014 0.0056 0.0023 420 VAL 26 CG2 -0.0031 0.0056 0.0011 421 VAL 26 H -0.0012 0.0030 0.0004 422 VAL 26 HA -0.0020 0.0032 0.0001 423 VAL 26 HB -0.0038 0.0059 0.0008 424 VAL 26 HG11 -0.0016 0.0067 0.0031 425 VAL 26 HG12 -0.0004 0.0048 0.0025 426 VAL 26 HG13 -0.0014 0.0056 0.0023 427 VAL 26 HG21 -0.0034 0.0068 0.0018 428 VAL 26 HG22 -0.0040 0.0053 0.0002 429 VAL 26 HG23 -0.0020 0.0050 0.0014 430 TYR 27 N -0.0042 0.0025 -0.0022 431 TYR 27 CA -0.0057 0.0022 -0.0035 432 TYR 27 C -0.0069 0.0037 -0.0033 433 TYR 27 O -0.0066 0.0046 -0.0023 434 TYR 27 CB -0.0055 0.0009 -0.0043 435 TYR 27 CG -0.0048 -0.0006 -0.0051 436 TYR 27 CD1 -0.0032 -0.0013 -0.0044 437 TYR 27 CD2 -0.0057 -0.0015 -0.0064 438 TYR 27 CE1 -0.0025 -0.0028 -0.0051 439 TYR 27 CE2 -0.0050 -0.0029 -0.0071 440 TYR 27 CZ -0.0035 -0.0036 -0.0064 441 TYR 27 OH -0.0028 -0.0050 -0.0071 442 TYR 27 H -0.0034 0.0021 -0.0019 443 TYR 27 HA -0.0060 0.0020 -0.0039 444 TYR 27 HB2 -0.0047 0.0010 -0.0037 445 TYR 27 HB3 -0.0066 0.0011 -0.0051 446 TYR 27 HD1 -0.0024 -0.0007 -0.0034 447 TYR 27 HD2 -0.0069 -0.0009 -0.0069 448 TYR 27 HE1 -0.0013 -0.0033 -0.0046 449 TYR 27 HE2 -0.0058 -0.0035 -0.0081 450 TYR 27 HH -0.0035 -0.0051 -0.0077 451 MET 28 N -0.0084 0.0039 -0.0042 452 MET 28 CA -0.0097 0.0052 -0.0041 453 MET 28 C -0.0103 0.0049 -0.0048 454 MET 28 O -0.0114 0.0059 -0.0048 455 MET 28 CB -0.0110 0.0057 -0.0047 456 MET 28 CG -0.0105 0.0058 -0.0043 457 MET 28 SD -0.0094 0.0071 -0.0025 458 MET 28 CE -0.0091 0.0069 -0.0023 459 MET 28 H -0.0086 0.0031 -0.0049 460 MET 28 HA -0.0093 0.0061 -0.0031 461 MET 28 HB2 -0.0115 0.0048 -0.0058 462 MET 28 HB3 -0.0118 0.0067 -0.0045 463 MET 28 HG2 -0.0097 0.0047 -0.0046 464 MET 28 HG3 -0.0115 0.0062 -0.0047 465 MET 28 HE1 -0.0085 0.0077 -0.0013 466 MET 28 HE2 -0.0102 0.0073 -0.0028 467 MET 28 HE3 -0.0083 0.0058 -0.0027 468 GLY 29 N -0.0096 0.0035 -0.0054 469 GLY 29 CA -0.0101 0.0032 -0.0061 470 GLY 29 C -0.0098 0.0015 -0.0071 471 GLY 29 O -0.0085 0.0005 -0.0070 472 GLY 29 H -0.0088 0.0028 -0.0053 473 GLY 29 HA2 -0.0095 0.0035 -0.0054 474 GLY 29 HA3 -0.0113 0.0038 -0.0065 475 ASP 30 N -0.0109 0.0011 -0.0083 476 ASP 30 CA -0.0108 -0.0005 -0.0094 477 ASP 30 C -0.0111 -0.0011 -0.0101 478 ASP 30 O -0.0107 -0.0025 -0.0109 479 ASP 30 CB -0.0119 -0.0006 -0.0104 480 ASP 30 CG -0.0117 -0.0023 -0.0115 481 ASP 30 OD1 -0.0107 -0.0029 -0.0112 482 ASP 30 OD2 -0.0125 -0.0029 -0.0126 483 ASP 30 H -0.0119 0.0019 -0.0084 484 ASP 30 HA -0.0096 -0.0011 -0.0091 485 ASP 30 HB2 -0.0118 -0.0001 -0.0098 486 ASP 30 HB3 -0.0131 -0.0001 -0.0108 487 SER 31 N -0.0145 -0.0009 -0.0115 488 SER 31 CA -0.0147 -0.0016 -0.0121 489 SER 31 C -0.0128 -0.0025 -0.0113 490 SER 31 O -0.0114 -0.0022 -0.0101 491 SER 31 CB -0.0159 0.0002 -0.0119 492 SER 31 OG -0.0156 0.0020 -0.0107 493 SER 31 H -0.0147 0.0005 -0.0110 494 SER 31 HA -0.0155 -0.0027 -0.0132 495 SER 31 HB2 -0.0154 0.0001 -0.0116 496 SER 31 HB3 -0.0173 0.0002 -0.0129 497 SER 31 HG -0.0163 0.0031 -0.0106 498 ASP 32 N -0.0129 -0.0035 -0.0119 499 ASP 32 CA -0.0112 -0.0045 -0.0113 500 ASP 32 C -0.0105 -0.0031 -0.0100 501 ASP 32 O -0.0090 -0.0037 -0.0093 502 ASP 32 CB -0.0116 -0.0062 -0.0124 503 ASP 32 CG -0.0098 -0.0077 -0.0120 504 ASP 32 OD1 -0.0088 -0.0088 -0.0119 505 ASP 32 OD2 -0.0094 -0.0080 -0.0119 506 ASP 32 H -0.0141 -0.0037 -0.0128 507 ASP 32 HA -0.0101 -0.0052 -0.0109 508 ASP 32 HB2 -0.0125 -0.0069 -0.0134 509 ASP 32 HB3 -0.0123 -0.0055 -0.0125 510 VAL 33 N -0.0115 -0.0012 -0.0097 511 VAL 33 CA -0.0109 0.0003 -0.0085 512 VAL 33 C -0.0094 0.0009 -0.0071 513 VAL 33 O -0.0095 0.0016 -0.0068 514 VAL 33 CB -0.0126 0.0021 -0.0086 515 VAL 33 CG1 -0.0137 0.0029 -0.0089 516 VAL 33 CG2 -0.0119 0.0037 -0.0073 517 VAL 33 H -0.0126 -0.0008 -0.0102 518 VAL 33 HA -0.0104 -0.0004 -0.0085 519 VAL 33 HB -0.0135 0.0016 -0.0095 520 VAL 33 HG11 -0.0143 0.0018 -0.0100 521 VAL 33 HG12 -0.0148 0.0042 -0.0090 522 VAL 33 HG13 -0.0128 0.0033 -0.0081 523 VAL 33 HG21 -0.0113 0.0031 -0.0072 524 VAL 33 HG22 -0.0109 0.0041 -0.0064 525 VAL 33 HG23 -0.0131 0.0050 -0.0074 526 TYR 34 N -0.0079 0.0008 -0.0061 527 TYR 34 CA -0.0062 0.0014 -0.0047 528 TYR 34 C -0.0051 0.0018 -0.0037 529 TYR 34 O -0.0052 0.0011 -0.0042 530 TYR 34 CB -0.0050 -0.0003 -0.0048 531 TYR 34 CG -0.0041 -0.0022 -0.0052 532 TYR 34 CD1 -0.0024 -0.0025 -0.0042 533 TYR 34 CD2 -0.0050 -0.0037 -0.0066 534 TYR 34 CE1 -0.0016 -0.0042 -0.0046 535 TYR 34 CE2 -0.0042 -0.0055 -0.0070 536 TYR 34 CZ -0.0025 -0.0057 -0.0060 537 TYR 34 OH -0.0017 -0.0075 -0.0064 538 TYR 34 H -0.0079 0.0003 -0.0064 539 TYR 34 HA -0.0067 0.0027 -0.0043 540 TYR 34 HB2 -0.0039 0.0002 -0.0037 541 TYR 34 HB3 -0.0058 -0.0006 -0.0055 542 TYR 34 HD1 -0.0017 -0.0013 -0.0031 543 TYR 34 HD2 -0.0063 -0.0035 -0.0074 544 TYR 34 HE1 -0.0003 -0.0044 -0.0038 545 TYR 34 HE2 -0.0049 -0.0066 -0.0081 546 TYR 34 HH -0.0027 -0.0080 -0.0074 547 THR 35 N -0.0041 0.0031 -0.0023 548 THR 35 CA -0.0029 0.0035 -0.0013 549 THR 35 C -0.0009 0.0027 -0.0003 550 THR 35 O -0.0003 0.0030 0.0002 551 THR 35 CB -0.0034 0.0058 -0.0004 552 THR 35 OG1 -0.0048 0.0068 -0.0008 553 THR 35 CG2 -0.0040 0.0063 -0.0006 554 THR 35 H -0.0041 0.0037 -0.0020 555 THR 35 HA -0.0032 0.0028 -0.0018 556 THR 35 HB -0.0021 0.0063 0.0007 557 THR 35 HG1 -0.0044 0.0079 0.0001 558 THR 35 HG21 -0.0052 0.0058 -0.0017 559 THR 35 HG22 -0.0029 0.0056 -0.0002 560 THR 35 HG23 -0.0044 0.0079 0.0001 561 VAL 36 N 0.0003 0.0017 -0.0001 562 VAL 36 CA 0.0022 0.0009 0.0008 563 VAL 36 C 0.0033 0.0024 0.0023 564 VAL 36 O 0.0038 0.0028 0.0028 565 VAL 36 CB 0.0031 -0.0010 0.0004 566 VAL 36 CG1 0.0050 -0.0021 0.0010 567 VAL 36 CG2 0.0017 -0.0023 -0.0013 568 VAL 36 H -0.0003 0.0015 -0.0006 569 VAL 36 HA 0.0024 0.0004 0.0006 570 VAL 36 HB 0.0033 -0.0004 0.0008 571 VAL 36 HG11 0.0056 -0.0033 0.0008 572 VAL 36 HG12 0.0048 -0.0028 0.0005 573 VAL 36 HG13 0.0058 -0.0012 0.0021 574 VAL 36 HG21 0.0004 -0.0014 -0.0017 575 VAL 36 HG22 0.0015 -0.0028 -0.0017 576 VAL 36 HG23 0.0024 -0.0035 -0.0015 577 HIS 37 N 0.0038 0.0009 0.0016 578 HIS 37 CA 0.0036 0.0007 0.0016 579 HIS 37 C 0.0035 0.0006 0.0016 580 HIS 37 O 0.0036 0.0007 0.0016 581 HIS 37 CB 0.0038 0.0004 0.0017 582 HIS 37 CG 0.0039 0.0004 0.0017 583 HIS 37 ND1 0.0037 0.0006 0.0017 584 HIS 37 CD2 0.0041 0.0003 0.0017 585 HIS 37 CE1 0.0039 0.0005 0.0017 586 HIS 37 NE2 0.0041 0.0003 0.0017 587 HIS 37 H 0.0040 0.0008 0.0016 588 HIS 37 HA 0.0035 0.0007 0.0016 589 HIS 37 HB2 0.0039 0.0003 0.0017 590 HIS 37 HB3 0.0036 0.0002 0.0017 591 HIS 37 HD2 0.0042 0.0001 0.0018 592 HIS 37 HE1 0.0038 0.0006 0.0016 593 HIS 37 HE2 0.0042 0.0002 0.0017 594 HIS 38 N 0.0033 0.0004 0.0017 595 HIS 38 CA 0.0031 0.0004 0.0017 596 HIS 38 C 0.0031 0.0001 0.0018 597 HIS 38 O 0.0030 -0.0000 0.0018 598 HIS 38 CB 0.0029 0.0006 0.0017 599 HIS 38 CG 0.0030 0.0009 0.0016 600 HIS 38 ND1 0.0031 0.0010 0.0016 601 HIS 38 CD2 0.0029 0.0010 0.0015 602 HIS 38 CE1 0.0031 0.0012 0.0015 603 HIS 38 NE2 0.0030 0.0013 0.0015 604 HIS 38 H 0.0032 0.0004 0.0017 605 HIS 38 HA 0.0033 0.0004 0.0017 606 HIS 38 HB2 0.0028 0.0005 0.0017 607 HIS 38 HB3 0.0028 0.0005 0.0017 608 HIS 38 HD2 0.0028 0.0010 0.0016 609 HIS 38 HE1 0.0032 0.0013 0.0015 610 HIS 38 HE2 0.0031 0.0014 0.0014 611 MET 39 N 0.0030 -0.0000 0.0018 612 MET 39 CA 0.0029 -0.0003 0.0019 613 MET 39 C 0.0028 -0.0004 0.0019 614 MET 39 O 0.0028 -0.0003 0.0019 615 MET 39 CB 0.0032 -0.0005 0.0019 616 MET 39 CG 0.0033 -0.0005 0.0019 617 MET 39 SD 0.0035 -0.0008 0.0020 618 MET 39 CE 0.0038 -0.0008 0.0020 619 MET 39 H 0.0030 0.0001 0.0018 620 MET 39 HA 0.0028 -0.0003 0.0019 621 MET 39 HB2 0.0033 -0.0004 0.0019 622 MET 39 HB3 0.0031 -0.0007 0.0020 623 MET 39 HG2 0.0032 -0.0005 0.0019 624 MET 39 HG3 0.0035 -0.0004 0.0019 625 MET 39 HE1 0.0037 -0.0008 0.0020 626 MET 39 HE2 0.0039 -0.0006 0.0019 627 MET 39 HE3 0.0039 -0.0010 0.0020 628 VAL 40 N 0.0025 -0.0005 0.0019 629 VAL 40 CA 0.0024 -0.0006 0.0020 630 VAL 40 C 0.0025 -0.0008 0.0020 631 VAL 40 O 0.0025 -0.0010 0.0021 632 VAL 40 CB 0.0021 -0.0007 0.0020 633 VAL 40 CG1 0.0021 -0.0009 0.0021 634 VAL 40 CG2 0.0019 -0.0008 0.0020 635 VAL 40 H 0.0025 -0.0006 0.0020 636 VAL 40 HA 0.0023 -0.0004 0.0019 637 VAL 40 HB 0.0020 -0.0005 0.0020 638 VAL 40 HG11 0.0022 -0.0008 0.0020 639 VAL 40 HG12 0.0019 -0.0010 0.0021 640 VAL 40 HG13 0.0023 -0.0010 0.0021 641 VAL 40 HG21 0.0017 -0.0008 0.0020 642 VAL 40 HG22 0.0019 -0.0006 0.0020 643 VAL 40 HG23 0.0020 -0.0010 0.0021 644 TRP 41 N 0.0026 -0.0007 0.0020 645 TRP 41 CA 0.0028 -0.0008 0.0020 646 TRP 41 C 0.0026 -0.0010 0.0021 647 TRP 41 O 0.0027 -0.0012 0.0021 648 TRP 41 CB 0.0029 -0.0006 0.0020 649 TRP 41 CG 0.0031 -0.0007 0.0020 650 TRP 41 CD1 0.0032 -0.0007 0.0020 651 TRP 41 CD2 0.0034 -0.0008 0.0020 652 TRP 41 NE1 0.0034 -0.0008 0.0020 653 TRP 41 CE2 0.0035 -0.0009 0.0020 654 TRP 41 CE3 0.0034 -0.0009 0.0020 655 TRP 41 CZ2 0.0038 -0.0010 0.0020 656 TRP 41 CZ3 0.0037 -0.0010 0.0020 657 TRP 41 CH2 0.0039 -0.0011 0.0021 658 TRP 41 H 0.0026 -0.0005 0.0019 659 TRP 41 HA 0.0029 -0.0009 0.0020 660 TRP 41 HB2 0.0029 -0.0004 0.0019 661 TRP 41 HB3 0.0027 -0.0006 0.0020 662 TRP 41 HD1 0.0030 -0.0006 0.0020 663 TRP 41 HE1 0.0035 -0.0008 0.0020 664 TRP 41 HE3 0.0033 -0.0008 0.0020 665 TRP 41 HZ2 0.0039 -0.0010 0.0020 666 TRP 41 HZ3 0.0037 -0.0010 0.0021 667 TRP 41 HH2 0.0041 -0.0012 0.0021 668 HIS 42 N 0.0023 -0.0009 0.0020 669 HIS 42 CA 0.0021 -0.0011 0.0021 670 HIS 42 C 0.0018 -0.0010 0.0021 671 HIS 42 O 0.0018 -0.0008 0.0020 672 HIS 42 CB 0.0022 -0.0010 0.0021 673 HIS 42 CG 0.0021 -0.0013 0.0021 674 HIS 42 ND1 0.0023 -0.0014 0.0022 675 HIS 42 CD2 0.0019 -0.0013 0.0022 676 HIS 42 CE1 0.0022 -0.0016 0.0022 677 HIS 42 NE2 0.0019 -0.0016 0.0022 678 HIS 42 H 0.0023 -0.0007 0.0020 679 HIS 42 HA 0.0022 -0.0013 0.0021 680 HIS 42 HB2 0.0024 -0.0010 0.0021 681 HIS 42 HB3 0.0021 -0.0009 0.0020 682 HIS 42 HD2 0.0017 -0.0012 0.0021 683 HIS 42 HE1 0.0023 -0.0018 0.0023 684 HIS 42 HE2 0.0018 -0.0017 0.0022 685 VAL 43 N 0.0011 -0.0025 0.0005 686 VAL 43 CA 0.0003 -0.0025 0.0001 687 VAL 43 C -0.0006 -0.0029 -0.0005 688 VAL 43 O -0.0005 -0.0036 -0.0007 689 VAL 43 CB 0.0006 -0.0033 0.0000 690 VAL 43 CG1 0.0010 -0.0044 0.0000 691 VAL 43 CG2 -0.0002 -0.0034 -0.0005 692 VAL 43 H 0.0013 -0.0031 0.0005 693 VAL 43 HA 0.0001 -0.0018 0.0002 694 VAL 43 HB 0.0011 -0.0030 0.0005 695 VAL 43 HG11 0.0017 -0.0043 0.0004 696 VAL 43 HG12 0.0012 -0.0049 -0.0001 697 VAL 43 HG13 0.0006 -0.0047 -0.0004 698 VAL 43 HG21 -0.0005 -0.0026 -0.0004 699 VAL 43 HG22 -0.0007 -0.0037 -0.0009 700 VAL 43 HG23 0.0000 -0.0039 -0.0005 701 GLU 44 N -0.0013 -0.0022 -0.0008 702 GLU 44 CA -0.0022 -0.0024 -0.0014 703 GLU 44 C -0.0026 -0.0034 -0.0019 704 GLU 44 O -0.0029 -0.0034 -0.0021 705 GLU 44 CB -0.0030 -0.0014 -0.0016 706 GLU 44 CG -0.0030 -0.0005 -0.0013 707 GLU 44 CD -0.0037 0.0004 -0.0015 708 GLU 44 OE1 -0.0035 0.0011 -0.0012 709 GLU 44 OE2 -0.0046 0.0005 -0.0020 710 GLU 44 H -0.0013 -0.0016 -0.0006 711 GLU 44 HA -0.0021 -0.0024 -0.0013 712 GLU 44 HB2 -0.0028 -0.0011 -0.0014 713 GLU 44 HB3 -0.0037 -0.0017 -0.0020 714 GLU 44 HG2 -0.0032 -0.0008 -0.0015 715 GLU 44 HG3 -0.0023 -0.0003 -0.0009 716 ASP 45 N -0.0025 -0.0042 -0.0021 717 ASP 45 CA -0.0029 -0.0052 -0.0025 718 ASP 45 C -0.0039 -0.0051 -0.0032 719 ASP 45 O -0.0043 -0.0057 -0.0036 720 ASP 45 CB -0.0024 -0.0060 -0.0025 721 ASP 45 CG -0.0025 -0.0058 -0.0025 722 ASP 45 OD1 -0.0021 -0.0051 -0.0021 723 ASP 45 OD2 -0.0029 -0.0064 -0.0029 724 ASP 45 H -0.0023 -0.0040 -0.0019 725 ASP 45 HA -0.0027 -0.0053 -0.0025 726 ASP 45 HB2 -0.0026 -0.0068 -0.0029 727 ASP 45 HB3 -0.0016 -0.0062 -0.0021 728 GLY 46 N -0.0044 -0.0042 -0.0032 729 GLY 46 CA -0.0054 -0.0040 -0.0038 730 GLY 46 C -0.0059 -0.0038 -0.0040 731 GLY 46 O -0.0068 -0.0035 -0.0044 732 GLY 46 H -0.0041 -0.0037 -0.0029 733 GLY 46 HA2 -0.0057 -0.0047 -0.0041 734 GLY 46 HA3 -0.0056 -0.0034 -0.0037 735 GLY 47 N -0.0054 -0.0041 -0.0038 736 GLY 47 CA -0.0059 -0.0039 -0.0040 737 GLY 47 C -0.0052 -0.0037 -0.0035 738 GLY 47 O -0.0051 -0.0044 -0.0037 739 GLY 47 H -0.0048 -0.0043 -0.0034 740 GLY 47 HA2 -0.0062 -0.0045 -0.0044 741 GLY 47 HA3 -0.0064 -0.0032 -0.0041 742 PRO 48 N -0.0048 -0.0028 -0.0031 743 PRO 48 CA -0.0042 -0.0026 -0.0026 744 PRO 48 C -0.0033 -0.0034 -0.0023 745 PRO 48 O -0.0033 -0.0043 -0.0026 746 PRO 48 CB -0.0039 -0.0015 -0.0021 747 PRO 48 CG -0.0047 -0.0011 -0.0025 748 PRO 48 CD -0.0049 -0.0020 -0.0029 749 PRO 48 HA -0.0046 -0.0025 -0.0028 750 PRO 48 HB2 -0.0032 -0.0016 -0.0018 751 PRO 48 HB3 -0.0038 -0.0010 -0.0020 752 PRO 48 HG2 -0.0045 -0.0005 -0.0022 753 PRO 48 HG3 -0.0053 -0.0007 -0.0027 754 PRO 48 HD2 -0.0045 -0.0021 -0.0027 755 PRO 48 HD3 -0.0057 -0.0018 -0.0033 756 ALA 49 N -0.0024 -0.0021 -0.0019 757 ALA 49 CA -0.0015 -0.0027 -0.0015 758 ALA 49 C -0.0013 -0.0036 -0.0018 759 ALA 49 O -0.0008 -0.0043 -0.0018 760 ALA 49 CB -0.0008 -0.0020 -0.0009 761 ALA 49 H -0.0025 -0.0015 -0.0016 762 ALA 49 HA -0.0014 -0.0028 -0.0015 763 ALA 49 HB1 -0.0003 -0.0020 -0.0006 764 ALA 49 HB2 -0.0005 -0.0023 -0.0008 765 ALA 49 HB3 -0.0012 -0.0013 -0.0008 766 SER 50 N -0.0016 -0.0037 -0.0020 767 SER 50 CA -0.0014 -0.0046 -0.0023 768 SER 50 C -0.0018 -0.0054 -0.0028 769 SER 50 O -0.0013 -0.0062 -0.0028 770 SER 50 CB -0.0018 -0.0045 -0.0025 771 SER 50 OG -0.0012 -0.0043 -0.0021 772 SER 50 H -0.0020 -0.0032 -0.0021 773 SER 50 HA -0.0007 -0.0048 -0.0020 774 SER 50 HB2 -0.0024 -0.0039 -0.0026 775 SER 50 HB3 -0.0021 -0.0052 -0.0029 776 SER 50 HG -0.0006 -0.0047 -0.0018 777 GLU 51 N -0.0027 -0.0052 -0.0032 778 GLU 51 CA -0.0031 -0.0059 -0.0037 779 GLU 51 C -0.0027 -0.0061 -0.0036 780 GLU 51 O -0.0027 -0.0068 -0.0039 781 GLU 51 CB -0.0041 -0.0056 -0.0042 782 GLU 51 CG -0.0045 -0.0055 -0.0044 783 GLU 51 CD -0.0047 -0.0064 -0.0049 784 GLU 51 OE1 -0.0042 -0.0069 -0.0048 785 GLU 51 OE2 -0.0055 -0.0067 -0.0054 786 GLU 51 H -0.0030 -0.0046 -0.0032 787 GLU 51 HA -0.0029 -0.0066 -0.0039 788 GLU 51 HB2 -0.0042 -0.0049 -0.0040 789 GLU 51 HB3 -0.0044 -0.0061 -0.0045 790 GLU 51 HG2 -0.0041 -0.0052 -0.0041 791 GLU 51 HG3 -0.0052 -0.0050 -0.0046 792 ALA 52 N -0.0024 -0.0054 -0.0031 793 ALA 52 CA -0.0020 -0.0054 -0.0029 794 ALA 52 C -0.0011 -0.0062 -0.0027 795 ALA 52 O -0.0009 -0.0066 -0.0027 796 ALA 52 CB -0.0018 -0.0044 -0.0024 797 ALA 52 H -0.0024 -0.0048 -0.0029 798 ALA 52 HA -0.0024 -0.0056 -0.0033 799 ALA 52 HB1 -0.0011 -0.0044 -0.0020 800 ALA 52 HB2 -0.0023 -0.0039 -0.0025 801 ALA 52 HB3 -0.0018 -0.0044 -0.0024 802 GLY 53 N -0.0007 -0.0063 -0.0025 803 GLY 53 CA 0.0001 -0.0070 -0.0023 804 GLY 53 C 0.0009 -0.0066 -0.0018 805 GLY 53 O 0.0016 -0.0071 -0.0015 806 GLY 53 H -0.0009 -0.0059 -0.0025 807 GLY 53 HA2 0.0000 -0.0076 -0.0026 808 GLY 53 HA3 0.0004 -0.0072 -0.0023 809 LEU 54 N 0.0007 -0.0057 -0.0015 810 LEU 54 CA 0.0014 -0.0052 -0.0009 811 LEU 54 C 0.0015 -0.0055 -0.0010 812 LEU 54 O 0.0009 -0.0053 -0.0012 813 LEU 54 CB 0.0011 -0.0041 -0.0006 814 LEU 54 CG 0.0019 -0.0036 0.0000 815 LEU 54 CD1 0.0016 -0.0025 0.0003 816 LEU 54 CD2 0.0025 -0.0038 0.0003 817 LEU 54 H 0.0001 -0.0053 -0.0017 818 LEU 54 HA 0.0020 -0.0054 -0.0007 819 LEU 54 HB2 0.0007 -0.0039 -0.0008 820 LEU 54 HB3 0.0007 -0.0039 -0.0008 821 LEU 54 HG 0.0023 -0.0038 0.0002 822 LEU 54 HD11 0.0013 -0.0024 0.0002 823 LEU 54 HD12 0.0022 -0.0022 0.0007 824 LEU 54 HD13 0.0011 -0.0023 0.0001 825 LEU 54 HD21 0.0021 -0.0034 0.0002 826 LEU 54 HD22 0.0031 -0.0036 0.0007 827 LEU 54 HD23 0.0026 -0.0046 0.0000 828 ARG 55 N 0.0019 -0.0025 0.0019 829 ARG 55 CA 0.0019 -0.0027 0.0018 830 ARG 55 C 0.0020 -0.0027 0.0018 831 ARG 55 O 0.0021 -0.0026 0.0017 832 ARG 55 CB 0.0020 -0.0027 0.0017 833 ARG 55 CG 0.0021 -0.0026 0.0017 834 ARG 55 CD 0.0022 -0.0026 0.0016 835 ARG 55 NE 0.0022 -0.0028 0.0015 836 ARG 55 CZ 0.0023 -0.0028 0.0015 837 ARG 55 NH1 0.0024 -0.0027 0.0014 838 ARG 55 NH2 0.0023 -0.0029 0.0014 839 ARG 55 H 0.0019 -0.0025 0.0019 840 ARG 55 HA 0.0018 -0.0027 0.0018 841 ARG 55 HB2 0.0020 -0.0028 0.0017 842 ARG 55 HB3 0.0019 -0.0027 0.0018 843 ARG 55 HG2 0.0021 -0.0026 0.0017 844 ARG 55 HG3 0.0021 -0.0025 0.0017 845 ARG 55 HD2 0.0023 -0.0026 0.0016 846 ARG 55 HD3 0.0022 -0.0026 0.0016 847 ARG 55 HE 0.0022 -0.0028 0.0016 848 ARG 55 HH11 0.0024 -0.0026 0.0015 849 ARG 55 HH12 0.0025 -0.0027 0.0014 850 ARG 55 HH21 0.0023 -0.0030 0.0014 851 ARG 55 HH22 0.0024 -0.0029 0.0014 852 GLN 56 N 0.0019 -0.0028 0.0018 853 GLN 56 CA 0.0020 -0.0028 0.0017 854 GLN 56 C 0.0021 -0.0028 0.0016 855 GLN 56 O 0.0021 -0.0028 0.0016 856 GLN 56 CB 0.0019 -0.0029 0.0017 857 GLN 56 CG 0.0019 -0.0029 0.0017 858 GLN 56 CD 0.0018 -0.0030 0.0017 859 GLN 56 OE1 0.0017 -0.0030 0.0018 860 GLN 56 NE2 0.0019 -0.0031 0.0017 861 GLN 56 H 0.0019 -0.0028 0.0018 862 GLN 56 HA 0.0020 -0.0027 0.0018 863 GLN 56 HB2 0.0018 -0.0029 0.0018 864 GLN 56 HB3 0.0019 -0.0030 0.0017 865 GLN 56 HG2 0.0020 -0.0029 0.0016 866 GLN 56 HG3 0.0019 -0.0028 0.0017 867 GLN 56 HE21 0.0020 -0.0031 0.0016 868 GLN 56 HE22 0.0018 -0.0031 0.0017 869 GLY 57 N 0.0022 -0.0027 0.0016 870 GLY 57 CA 0.0023 -0.0027 0.0015 871 GLY 57 C 0.0024 -0.0026 0.0015 872 GLY 57 O 0.0025 -0.0026 0.0014 873 GLY 57 H 0.0021 -0.0027 0.0016 874 GLY 57 HA2 0.0023 -0.0027 0.0015 875 GLY 57 HA3 0.0023 -0.0028 0.0015 876 ASP 58 N 0.0023 -0.0025 0.0016 877 ASP 58 CA 0.0024 -0.0024 0.0016 878 ASP 58 C 0.0024 -0.0023 0.0016 879 ASP 58 O 0.0024 -0.0023 0.0016 880 ASP 58 CB 0.0023 -0.0023 0.0017 881 ASP 58 CG 0.0023 -0.0023 0.0016 882 ASP 58 OD1 0.0024 -0.0022 0.0016 883 ASP 58 OD2 0.0023 -0.0023 0.0017 884 ASP 58 H 0.0022 -0.0025 0.0016 885 ASP 58 HA 0.0024 -0.0024 0.0015 886 ASP 58 HB2 0.0022 -0.0024 0.0017 887 ASP 58 HB3 0.0022 -0.0023 0.0017 888 LEU 59 N 0.0025 -0.0022 0.0016 889 LEU 59 CA 0.0025 -0.0021 0.0016 890 LEU 59 C 0.0025 -0.0019 0.0016 891 LEU 59 O 0.0025 -0.0019 0.0016 892 LEU 59 CB 0.0027 -0.0020 0.0015 893 LEU 59 CG 0.0027 -0.0019 0.0015 894 LEU 59 CD1 0.0028 -0.0019 0.0015 895 LEU 59 CD2 0.0028 -0.0019 0.0014 896 LEU 59 H 0.0025 -0.0022 0.0015 897 LEU 59 HA 0.0025 -0.0021 0.0016 898 LEU 59 HB2 0.0027 -0.0021 0.0014 899 LEU 59 HB3 0.0027 -0.0021 0.0015 900 LEU 59 HG 0.0027 -0.0018 0.0015 901 LEU 59 HD11 0.0027 -0.0019 0.0015 902 LEU 59 HD12 0.0028 -0.0018 0.0015 903 LEU 59 HD13 0.0028 -0.0020 0.0014 904 LEU 59 HD21 0.0028 -0.0018 0.0014 905 LEU 59 HD22 0.0029 -0.0019 0.0014 906 LEU 59 HD23 0.0029 -0.0018 0.0014 907 ILE 60 N 0.0025 -0.0019 0.0017 908 ILE 60 CA 0.0024 -0.0018 0.0018 909 ILE 60 C 0.0025 -0.0016 0.0017 910 ILE 60 O 0.0026 -0.0016 0.0017 911 ILE 60 CB 0.0023 -0.0017 0.0018 912 ILE 60 CG1 0.0022 -0.0018 0.0019 913 ILE 60 CG2 0.0023 -0.0016 0.0019 914 ILE 60 CD1 0.0022 -0.0020 0.0018 915 ILE 60 H 0.0025 -0.0019 0.0017 916 ILE 60 HA 0.0024 -0.0018 0.0018 917 ILE 60 HB 0.0024 -0.0017 0.0018 918 ILE 60 HG12 0.0022 -0.0018 0.0019 919 ILE 60 HG13 0.0022 -0.0019 0.0019 920 ILE 60 HG21 0.0022 -0.0016 0.0020 921 ILE 60 HG22 0.0023 -0.0016 0.0019 922 ILE 60 HG23 0.0024 -0.0015 0.0019 923 ILE 60 HD11 0.0023 -0.0019 0.0018 924 ILE 60 HD12 0.0023 -0.0020 0.0018 925 ILE 60 HD13 0.0022 -0.0020 0.0019 926 THR 61 N 0.0039 -0.0021 0.0028 927 THR 61 CA 0.0042 -0.0021 0.0031 928 THR 61 C 0.0040 -0.0019 0.0030 929 THR 61 O 0.0043 -0.0016 0.0033 930 THR 61 CB 0.0044 -0.0028 0.0031 931 THR 61 OG1 0.0041 -0.0031 0.0027 932 THR 61 CG2 0.0046 -0.0031 0.0032 933 THR 61 H 0.0037 -0.0023 0.0025 934 THR 61 HA 0.0045 -0.0019 0.0034 935 THR 61 HB 0.0047 -0.0028 0.0033 936 THR 61 HG1 0.0041 -0.0031 0.0027 937 THR 61 HG21 0.0043 -0.0031 0.0029 938 THR 61 HG22 0.0048 -0.0028 0.0034 939 THR 61 HG23 0.0048 -0.0035 0.0032 940 HIS 62 N 0.0036 -0.0019 0.0026 941 HIS 62 CA 0.0034 -0.0017 0.0025 942 HIS 62 C 0.0030 -0.0015 0.0021 943 HIS 62 O 0.0028 -0.0016 0.0019 944 HIS 62 CB 0.0035 -0.0022 0.0024 945 HIS 62 CG 0.0039 -0.0025 0.0027 946 HIS 62 ND1 0.0041 -0.0030 0.0027 947 HIS 62 CD2 0.0042 -0.0024 0.0031 948 HIS 62 CE1 0.0045 -0.0032 0.0030 949 HIS 62 NE2 0.0046 -0.0028 0.0033 950 HIS 62 H 0.0035 -0.0021 0.0024 951 HIS 62 HA 0.0036 -0.0014 0.0028 952 HIS 62 HB2 0.0033 -0.0025 0.0021 953 HIS 62 HB3 0.0033 -0.0020 0.0023 954 HIS 62 HD2 0.0042 -0.0020 0.0032 955 HIS 62 HE1 0.0048 -0.0036 0.0031 956 HIS 62 HE2 0.0049 -0.0028 0.0036 957 VAL 63 N 0.0028 -0.0011 0.0021 958 VAL 63 CA 0.0023 -0.0009 0.0017 959 VAL 63 C 0.0021 -0.0008 0.0015 960 VAL 63 O 0.0022 -0.0006 0.0017 961 VAL 63 CB 0.0022 -0.0003 0.0018 962 VAL 63 CG1 0.0024 0.0001 0.0022 963 VAL 63 CG2 0.0017 -0.0000 0.0014 964 VAL 63 H 0.0029 -0.0010 0.0023 965 VAL 63 HA 0.0021 -0.0011 0.0014 966 VAL 63 HB 0.0023 -0.0003 0.0019 967 VAL 63 HG11 0.0023 0.0005 0.0022 968 VAL 63 HG12 0.0022 0.0002 0.0020 969 VAL 63 HG13 0.0027 -0.0000 0.0024 970 VAL 63 HG21 0.0015 -0.0002 0.0012 971 VAL 63 HG22 0.0016 0.0004 0.0015 972 VAL 63 HG23 0.0016 -0.0002 0.0012 973 ASN 64 N 0.0018 -0.0012 0.0011 974 ASN 64 CA 0.0016 -0.0012 0.0009 975 ASN 64 C 0.0019 -0.0014 0.0011 976 ASN 64 O 0.0018 -0.0013 0.0011 977 ASN 64 CB 0.0013 -0.0006 0.0008 978 ASN 64 CG 0.0008 -0.0006 0.0004 979 ASN 64 OD1 0.0007 -0.0009 0.0001 980 ASN 64 ND2 0.0006 -0.0002 0.0003 981 ASN 64 H 0.0017 -0.0014 0.0010 982 ASN 64 HA 0.0014 -0.0015 0.0006 983 ASN 64 HB2 0.0014 -0.0003 0.0010 984 ASN 64 HB3 0.0014 -0.0004 0.0010 985 ASN 64 HD21 0.0008 0.0001 0.0005 986 ASN 64 HD22 0.0003 -0.0002 -0.0000 987 GLY 65 N 0.0023 -0.0017 0.0014 988 GLY 65 CA 0.0027 -0.0019 0.0017 989 GLY 65 C 0.0029 -0.0015 0.0021 990 GLY 65 O 0.0030 -0.0014 0.0022 991 GLY 65 H 0.0024 -0.0018 0.0014 992 GLY 65 HA2 0.0029 -0.0023 0.0017 993 GLY 65 HA3 0.0025 -0.0020 0.0015 994 GLU 66 N 0.0030 -0.0012 0.0023 995 GLU 66 CA 0.0032 -0.0007 0.0027 996 GLU 66 C 0.0035 -0.0007 0.0029 997 GLU 66 O 0.0033 -0.0005 0.0028 998 GLU 66 CB 0.0029 -0.0002 0.0026 999 GLU 66 CG 0.0031 0.0002 0.0029 1000 GLU 66 CD 0.0032 -0.0000 0.0029 1001 GLU 66 OE1 0.0030 0.0000 0.0027 1002 GLU 66 OE2 0.0036 -0.0003 0.0032 1003 GLU 66 H 0.0029 -0.0012 0.0021 1004 GLU 66 HA 0.0034 -0.0008 0.0028 1005 GLU 66 HB2 0.0026 -0.0003 0.0022 1006 GLU 66 HB3 0.0028 0.0000 0.0026 1007 GLU 66 HG2 0.0028 0.0006 0.0028 1008 GLU 66 HG3 0.0033 0.0004 0.0032 1009 PRO 67 N 0.0041 0.0005 0.0023 1010 PRO 67 CA 0.0042 0.0004 0.0023 1011 PRO 67 C 0.0041 0.0005 0.0024 1012 PRO 67 O 0.0041 0.0008 0.0025 1013 PRO 67 CB 0.0045 0.0005 0.0024 1014 PRO 67 CG 0.0045 0.0006 0.0025 1015 PRO 67 CD 0.0042 0.0005 0.0024 1016 PRO 67 HA 0.0042 0.0002 0.0022 1017 PRO 67 HB2 0.0046 0.0006 0.0025 1018 PRO 67 HB3 0.0046 0.0003 0.0023 1019 PRO 67 HG2 0.0045 0.0008 0.0025 1020 PRO 67 HG3 0.0046 0.0005 0.0025 1021 PRO 67 HD2 0.0041 0.0007 0.0024 1022 PRO 67 HD3 0.0042 0.0004 0.0023 1023 VAL 68 N 0.0041 0.0004 0.0023 1024 VAL 68 CA 0.0040 0.0005 0.0023 1025 VAL 68 C 0.0043 0.0005 0.0024 1026 VAL 68 O 0.0043 0.0007 0.0024 1027 VAL 68 CB 0.0039 0.0003 0.0022 1028 VAL 68 CG1 0.0036 0.0003 0.0021 1029 VAL 68 CG2 0.0040 0.0001 0.0021 1030 VAL 68 H 0.0041 0.0002 0.0022 1031 VAL 68 HA 0.0039 0.0007 0.0024 1032 VAL 68 HB 0.0038 0.0004 0.0022 1033 VAL 68 HG11 0.0035 0.0004 0.0022 1034 VAL 68 HG12 0.0035 0.0001 0.0021 1035 VAL 68 HG13 0.0037 0.0002 0.0021 1036 VAL 68 HG21 0.0042 0.0001 0.0022 1037 VAL 68 HG22 0.0041 -0.0000 0.0021 1038 VAL 68 HG23 0.0039 -0.0001 0.0021 1039 HIS 69 N 0.0045 0.0004 0.0024 1040 HIS 69 CA 0.0048 0.0005 0.0024 1041 HIS 69 C 0.0048 0.0007 0.0026 1042 HIS 69 O 0.0049 0.0008 0.0026 1043 HIS 69 CB 0.0049 0.0003 0.0024 1044 HIS 69 CG 0.0050 0.0000 0.0023 1045 HIS 69 ND1 0.0052 -0.0001 0.0023 1046 HIS 69 CD2 0.0048 -0.0001 0.0022 1047 HIS 69 CE1 0.0052 -0.0003 0.0022 1048 HIS 69 NE2 0.0049 -0.0003 0.0021 1049 HIS 69 H 0.0045 0.0003 0.0023 1050 HIS 69 HA 0.0048 0.0004 0.0024 1051 HIS 69 HB2 0.0049 0.0003 0.0024 1052 HIS 69 HB3 0.0051 0.0004 0.0025 1053 HIS 69 HD2 0.0046 -0.0001 0.0022 1054 HIS 69 HE1 0.0053 -0.0005 0.0021 1055 HIS 69 HE2 0.0049 -0.0005 0.0021 1056 GLY 70 N 0.0048 0.0008 0.0026 1057 GLY 70 CA 0.0048 0.0011 0.0027 1058 GLY 70 C 0.0046 0.0012 0.0027 1059 GLY 70 O 0.0046 0.0015 0.0028 1060 GLY 70 H 0.0047 0.0007 0.0025 1061 GLY 70 HA2 0.0050 0.0011 0.0028 1062 GLY 70 HA3 0.0049 0.0012 0.0028 1063 LEU 71 N 0.0043 0.0011 0.0027 1064 LEU 71 CA 0.0041 0.0013 0.0027 1065 LEU 71 C 0.0040 0.0013 0.0026 1066 LEU 71 O 0.0041 0.0011 0.0026 1067 LEU 71 CB 0.0038 0.0012 0.0026 1068 LEU 71 CG 0.0039 0.0012 0.0026 1069 LEU 71 CD1 0.0036 0.0011 0.0025 1070 LEU 71 CD2 0.0039 0.0014 0.0027 1071 LEU 71 H 0.0043 0.0010 0.0026 1072 LEU 71 HA 0.0041 0.0015 0.0027 1073 LEU 71 HB2 0.0039 0.0010 0.0025 1074 LEU 71 HB3 0.0037 0.0012 0.0026 1075 LEU 71 HG 0.0040 0.0010 0.0026 1076 LEU 71 HD11 0.0036 0.0011 0.0025 1077 LEU 71 HD12 0.0034 0.0012 0.0025 1078 LEU 71 HD13 0.0036 0.0009 0.0024 1079 LEU 71 HD21 0.0041 0.0015 0.0027 1080 LEU 71 HD22 0.0037 0.0016 0.0027 1081 LEU 71 HD23 0.0039 0.0014 0.0027 1082 VAL 72 N 0.0039 0.0015 0.0027 1083 VAL 72 CA 0.0039 0.0015 0.0027 1084 VAL 72 C 0.0036 0.0013 0.0026 1085 VAL 72 O 0.0035 0.0013 0.0025 1086 VAL 72 CB 0.0038 0.0018 0.0028 1087 VAL 72 CG1 0.0035 0.0019 0.0028 1088 VAL 72 CG2 0.0039 0.0018 0.0029 1089 VAL 72 H 0.0039 0.0016 0.0028 1090 VAL 72 HA 0.0040 0.0014 0.0027 1091 VAL 72 HB 0.0039 0.0019 0.0029 1092 VAL 72 HG11 0.0034 0.0018 0.0027 1093 VAL 72 HG12 0.0034 0.0018 0.0028 1094 VAL 72 HG13 0.0035 0.0020 0.0029 1095 VAL 72 HG21 0.0042 0.0017 0.0029 1096 VAL 72 HG22 0.0038 0.0017 0.0028 1097 VAL 72 HG23 0.0040 0.0020 0.0029 1098 HIS 73 N 0.0040 0.0024 0.0017 1099 HIS 73 CA 0.0036 0.0021 0.0016 1100 HIS 73 C 0.0030 0.0023 0.0017 1101 HIS 73 O 0.0027 0.0019 0.0016 1102 HIS 73 CB 0.0036 0.0022 0.0017 1103 HIS 73 CG 0.0034 0.0017 0.0016 1104 HIS 73 ND1 0.0038 0.0014 0.0015 1105 HIS 73 CD2 0.0029 0.0015 0.0015 1106 HIS 73 CE1 0.0034 0.0010 0.0014 1107 HIS 73 NE2 0.0030 0.0011 0.0014 1108 HIS 73 H 0.0043 0.0026 0.0017 1109 HIS 73 HA 0.0037 0.0017 0.0016 1110 HIS 73 HB2 0.0040 0.0022 0.0017 1111 HIS 73 HB3 0.0034 0.0025 0.0017 1112 HIS 73 HD1 0.0041 0.0014 0.0015 1113 HIS 73 HD2 0.0026 0.0016 0.0015 1114 HIS 73 HE1 0.0036 0.0007 0.0014 1115 THR 74 N 0.0029 0.0027 0.0018 1116 THR 74 CA 0.0024 0.0029 0.0018 1117 THR 74 C 0.0023 0.0031 0.0018 1118 THR 74 O 0.0018 0.0031 0.0018 1119 THR 74 CB 0.0022 0.0034 0.0019 1120 THR 74 OG1 0.0025 0.0039 0.0020 1121 THR 74 CG2 0.0024 0.0033 0.0019 1122 THR 74 H 0.0032 0.0030 0.0018 1123 THR 74 HA 0.0021 0.0026 0.0017 1124 THR 74 HB 0.0018 0.0035 0.0019 1125 THR 74 HG1 0.0025 0.0041 0.0020 1126 THR 74 HG21 0.0022 0.0030 0.0018 1127 THR 74 HG22 0.0024 0.0037 0.0019 1128 THR 74 HG23 0.0028 0.0032 0.0018 1129 GLU 75 N 0.0027 0.0031 0.0018 1130 GLU 75 CA 0.0027 0.0032 0.0018 1131 GLU 75 C 0.0024 0.0028 0.0018 1132 GLU 75 O 0.0021 0.0029 0.0018 1133 GLU 75 CB 0.0032 0.0034 0.0019 1134 GLU 75 CG 0.0033 0.0040 0.0020 1135 GLU 75 CD 0.0038 0.0041 0.0020 1136 GLU 75 OE1 0.0043 0.0040 0.0020 1137 GLU 75 OE2 0.0038 0.0044 0.0021 1138 GLU 75 H 0.0031 0.0031 0.0018 1139 GLU 75 HA 0.0024 0.0036 0.0019 1140 GLU 75 HB2 0.0035 0.0032 0.0018 1141 GLU 75 HB3 0.0032 0.0033 0.0019 1142 GLU 75 HG2 0.0030 0.0042 0.0020 1143 GLU 75 HG3 0.0034 0.0041 0.0020 1144 VAL 76 N 0.0026 0.0023 0.0017 1145 VAL 76 CA 0.0024 0.0019 0.0016 1146 VAL 76 C 0.0018 0.0018 0.0015 1147 VAL 76 O 0.0014 0.0017 0.0015 1148 VAL 76 CB 0.0027 0.0013 0.0015 1149 VAL 76 CG1 0.0032 0.0013 0.0015 1150 VAL 76 CG2 0.0027 0.0013 0.0015 1151 VAL 76 H 0.0028 0.0023 0.0017 1152 VAL 76 HA 0.0024 0.0019 0.0016 1153 VAL 76 HB 0.0024 0.0010 0.0014 1154 VAL 76 HG11 0.0032 0.0014 0.0015 1155 VAL 76 HG12 0.0034 0.0010 0.0014 1156 VAL 76 HG13 0.0034 0.0017 0.0016 1157 VAL 76 HG21 0.0026 0.0016 0.0015 1158 VAL 76 HG22 0.0031 0.0011 0.0014 1159 VAL 76 HG23 0.0024 0.0010 0.0014 1160 VAL 77 N 0.0016 0.0018 0.0016 1161 VAL 77 CA 0.0011 0.0018 0.0015 1162 VAL 77 C 0.0008 0.0022 0.0016 1163 VAL 77 O 0.0003 0.0021 0.0016 1164 VAL 77 CB 0.0011 0.0019 0.0016 1165 VAL 77 CG1 0.0005 0.0020 0.0016 1166 VAL 77 CG2 0.0014 0.0015 0.0015 1167 VAL 77 H 0.0019 0.0019 0.0016 1168 VAL 77 HA 0.0009 0.0014 0.0015 1169 VAL 77 HB 0.0013 0.0023 0.0016 1170 VAL 77 HG11 0.0003 0.0017 0.0015 1171 VAL 77 HG12 0.0004 0.0024 0.0016 1172 VAL 77 HG13 0.0005 0.0018 0.0015 1173 VAL 77 HG21 0.0015 0.0017 0.0015 1174 VAL 77 HG22 0.0018 0.0014 0.0015 1175 VAL 77 HG23 0.0012 0.0012 0.0014 1176 GLU 78 N 0.0010 0.0027 0.0017 1177 GLU 78 CA 0.0007 0.0031 0.0018 1178 GLU 78 C 0.0006 0.0030 0.0018 1179 GLU 78 O 0.0002 0.0031 0.0018 1180 GLU 78 CB 0.0010 0.0036 0.0019 1181 GLU 78 CG 0.0008 0.0039 0.0019 1182 GLU 78 CD 0.0009 0.0045 0.0021 1183 GLU 78 OE1 0.0005 0.0047 0.0021 1184 GLU 78 OE2 0.0013 0.0047 0.0021 1185 GLU 78 H 0.0013 0.0028 0.0017 1186 GLU 78 HA 0.0003 0.0032 0.0018 1187 GLU 78 HB2 0.0014 0.0036 0.0019 1188 GLU 78 HB3 0.0009 0.0039 0.0019 1189 GLU 78 HG2 0.0004 0.0038 0.0019 1190 GLU 78 HG3 0.0011 0.0038 0.0019 1191 LEU 79 N 0.0010 0.0035 0.0021 1192 LEU 79 CA 0.0010 0.0030 0.0020 1193 LEU 79 C 0.0004 0.0026 0.0016 1194 LEU 79 O 0.0001 0.0025 0.0015 1195 LEU 79 CB 0.0017 0.0026 0.0021 1196 LEU 79 CG 0.0021 0.0026 0.0023 1197 LEU 79 CD1 0.0017 0.0025 0.0021 1198 LEU 79 CD2 0.0024 0.0033 0.0026 1199 LEU 79 H 0.0014 0.0035 0.0023 1200 LEU 79 HA 0.0010 0.0034 0.0021 1201 LEU 79 HB2 0.0020 0.0027 0.0023 1202 LEU 79 HB3 0.0016 0.0020 0.0019 1203 LEU 79 HG 0.0025 0.0022 0.0023 1204 LEU 79 HD11 0.0015 0.0020 0.0019 1205 LEU 79 HD12 0.0020 0.0025 0.0022 1206 LEU 79 HD13 0.0013 0.0029 0.0021 1207 LEU 79 HD21 0.0027 0.0033 0.0027 1208 LEU 79 HD22 0.0027 0.0034 0.0028 1209 LEU 79 HD23 0.0020 0.0037 0.0026 1210 ILE 80 N 0.0003 0.0023 0.0015 1211 ILE 80 CA -0.0003 0.0018 0.0012 1212 ILE 80 C -0.0010 0.0022 0.0010 1213 ILE 80 O -0.0014 0.0020 0.0008 1214 ILE 80 CB -0.0002 0.0014 0.0011 1215 ILE 80 CG1 0.0004 0.0009 0.0011 1216 ILE 80 CG2 -0.0008 0.0011 0.0007 1217 ILE 80 CD1 0.0008 0.0007 0.0012 1218 ILE 80 H 0.0005 0.0024 0.0016 1219 ILE 80 HA -0.0002 0.0014 0.0011 1220 ILE 80 HB -0.0001 0.0018 0.0012 1221 ILE 80 HG12 0.0002 0.0004 0.0009 1222 ILE 80 HG13 0.0008 0.0010 0.0013 1223 ILE 80 HG21 -0.0010 0.0009 0.0006 1224 ILE 80 HG22 -0.0012 0.0016 0.0007 1225 ILE 80 HG23 -0.0007 0.0007 0.0007 1226 ILE 80 HD11 0.0012 0.0003 0.0013 1227 ILE 80 HD12 0.0004 0.0005 0.0010 1228 ILE 80 HD13 0.0009 0.0012 0.0014 1229 LEU 81 N -0.0011 0.0028 0.0011 1230 LEU 81 CA -0.0017 0.0033 0.0010 1231 LEU 81 C -0.0019 0.0035 0.0010 1232 LEU 81 O -0.0024 0.0036 0.0008 1233 LEU 81 CB -0.0017 0.0039 0.0012 1234 LEU 81 CG -0.0015 0.0037 0.0012 1235 LEU 81 CD1 -0.0014 0.0043 0.0015 1236 LEU 81 CD2 -0.0020 0.0033 0.0009 1237 LEU 81 H -0.0007 0.0029 0.0013 1238 LEU 81 HA -0.0021 0.0029 0.0008 1239 LEU 81 HB2 -0.0014 0.0042 0.0015 1240 LEU 81 HB3 -0.0022 0.0041 0.0011 1241 LEU 81 HG -0.0010 0.0034 0.0013 1242 LEU 81 HD11 -0.0010 0.0046 0.0017 1243 LEU 81 HD12 -0.0012 0.0042 0.0015 1244 LEU 81 HD13 -0.0019 0.0047 0.0014 1245 LEU 81 HD21 -0.0020 0.0028 0.0008 1246 LEU 81 HD22 -0.0025 0.0035 0.0008 1247 LEU 81 HD23 -0.0019 0.0032 0.0009 1248 LYS 82 N -0.0013 0.0037 0.0013 1249 LYS 82 CA -0.0014 0.0039 0.0014 1250 LYS 82 C -0.0016 0.0034 0.0011 1251 LYS 82 O -0.0020 0.0036 0.0010 1252 LYS 82 CB -0.0007 0.0041 0.0017 1253 LYS 82 CG -0.0006 0.0045 0.0018 1254 LYS 82 CD 0.0000 0.0044 0.0021 1255 LYS 82 CE 0.0006 0.0047 0.0024 1256 LYS 82 NZ 0.0012 0.0049 0.0026 1257 LYS 82 H -0.0009 0.0036 0.0015 1258 LYS 82 HA -0.0017 0.0044 0.0014 1259 LYS 82 HB2 -0.0004 0.0043 0.0018 1260 LYS 82 HB3 -0.0004 0.0036 0.0016 1261 LYS 82 HG2 -0.0010 0.0044 0.0016 1262 LYS 82 HG3 -0.0007 0.0051 0.0019 1263 LYS 82 HD2 0.0002 0.0039 0.0019 1264 LYS 82 HD3 0.0000 0.0047 0.0021 1265 LYS 82 HE2 0.0004 0.0052 0.0024 1266 LYS 82 HE3 0.0008 0.0044 0.0023 1267 LYS 82 HZ1 0.0010 0.0053 0.0027 1268 LYS 82 HZ2 0.0014 0.0044 0.0026 1269 LYS 82 HZ3 0.0016 0.0051 0.0028 1270 SER 83 N -0.0014 0.0028 0.0010 1271 SER 83 CA -0.0017 0.0022 0.0007 1272 SER 83 C -0.0024 0.0022 0.0004 1273 SER 83 O -0.0027 0.0021 0.0003 1274 SER 83 CB -0.0014 0.0015 0.0006 1275 SER 83 OG -0.0015 0.0009 0.0004 1276 SER 83 H -0.0011 0.0026 0.0011 1277 SER 83 HA -0.0015 0.0023 0.0008 1278 SER 83 HB2 -0.0008 0.0015 0.0008 1279 SER 83 HB3 -0.0015 0.0014 0.0006 1280 SER 83 HG -0.0019 0.0007 0.0002 1281 GLY 84 N -0.0028 0.0024 0.0004 1282 GLY 84 CA -0.0035 0.0025 0.0001 1283 GLY 84 C -0.0038 0.0021 -0.0001 1284 GLY 84 O -0.0036 0.0022 -0.0000 1285 GLY 84 H -0.0025 0.0025 0.0005 1286 GLY 84 HA2 -0.0037 0.0030 0.0002 1287 GLY 84 HA3 -0.0037 0.0023 -0.0000 1288 ASN 85 N -0.0044 0.0023 -0.0009 1289 ASN 85 CA -0.0048 0.0019 -0.0014 1290 ASN 85 C -0.0044 0.0011 -0.0015 1291 ASN 85 O -0.0046 0.0007 -0.0019 1292 ASN 85 CB -0.0056 0.0019 -0.0019 1293 ASN 85 CG -0.0056 0.0014 -0.0021 1294 ASN 85 OD1 -0.0050 0.0009 -0.0020 1295 ASN 85 ND2 -0.0062 0.0016 -0.0024 1296 ASN 85 H -0.0045 0.0022 -0.0010 1297 ASN 85 HA -0.0049 0.0024 -0.0012 1298 ASN 85 HB2 -0.0059 0.0015 -0.0022 1299 ASN 85 HB3 -0.0060 0.0025 -0.0018 1300 ASN 85 HD21 -0.0067 0.0020 -0.0024 1301 ASN 85 HD22 -0.0062 0.0014 -0.0025 1302 LYS 86 N -0.0036 0.0009 -0.0011 1303 LYS 86 CA -0.0031 0.0002 -0.0012 1304 LYS 86 C -0.0022 0.0002 -0.0007 1305 LYS 86 O -0.0021 0.0009 -0.0003 1306 LYS 86 CB -0.0032 -0.0005 -0.0017 1307 LYS 86 CG -0.0032 -0.0004 -0.0016 1308 LYS 86 CD -0.0031 -0.0012 -0.0019 1309 LYS 86 CE -0.0030 -0.0011 -0.0019 1310 LYS 86 NZ -0.0023 -0.0008 -0.0013 1311 LYS 86 H -0.0034 0.0013 -0.0008 1312 LYS 86 HA -0.0032 0.0001 -0.0013 1313 LYS 86 HB2 -0.0028 -0.0010 -0.0017 1314 LYS 86 HB3 -0.0038 -0.0006 -0.0021 1315 LYS 86 HG2 -0.0037 0.0000 -0.0017 1316 LYS 86 HG3 -0.0027 -0.0002 -0.0011 1317 LYS 86 HD2 -0.0026 -0.0016 -0.0019 1318 LYS 86 HD3 -0.0036 -0.0014 -0.0024 1319 LYS 86 HE2 -0.0030 -0.0017 -0.0021 1320 LYS 86 HE3 -0.0036 -0.0006 -0.0019 1321 LYS 86 HZ1 -0.0018 -0.0012 -0.0012 1322 LYS 86 HZ2 -0.0024 -0.0002 -0.0010 1323 LYS 86 HZ3 -0.0022 -0.0008 -0.0012 1324 VAL 87 N -0.0017 -0.0004 -0.0007 1325 VAL 87 CA -0.0009 -0.0004 -0.0002 1326 VAL 87 C -0.0003 -0.0012 -0.0003 1327 VAL 87 O -0.0005 -0.0017 -0.0006 1328 VAL 87 CB -0.0006 0.0002 0.0003 1329 VAL 87 CG1 -0.0007 -0.0000 0.0001 1330 VAL 87 CG2 0.0002 0.0004 0.0008 1331 VAL 87 H -0.0019 -0.0009 -0.0010 1332 VAL 87 HA -0.0008 -0.0002 -0.0000 1333 VAL 87 HB -0.0011 0.0008 0.0003 1334 VAL 87 HG11 -0.0003 -0.0006 0.0001 1335 VAL 87 HG12 -0.0013 -0.0001 -0.0003 1336 VAL 87 HG13 -0.0006 0.0004 0.0004 1337 VAL 87 HG21 0.0001 0.0007 0.0010 1338 VAL 87 HG22 0.0006 -0.0002 0.0008 1339 VAL 87 HG23 0.0003 0.0007 0.0011 1340 ALA 88 N 0.0003 -0.0014 0.0000 1341 ALA 88 CA 0.0009 -0.0022 -0.0000 1342 ALA 88 C 0.0016 -0.0021 0.0004 1343 ALA 88 O 0.0021 -0.0018 0.0009 1344 ALA 88 CB 0.0013 -0.0025 0.0001 1345 ALA 88 H 0.0004 -0.0010 0.0003 1346 ALA 88 HA 0.0006 -0.0026 -0.0004 1347 ALA 88 HB1 0.0009 -0.0026 -0.0003 1348 ALA 88 HB2 0.0018 -0.0030 0.0001 1349 ALA 88 HB3 0.0016 -0.0020 0.0005 1350 ILE 89 N 0.0015 -0.0023 0.0002 1351 ILE 89 CA 0.0020 -0.0023 0.0006 1352 ILE 89 C 0.0027 -0.0030 0.0006 1353 ILE 89 O 0.0026 -0.0037 0.0002 1354 ILE 89 CB 0.0016 -0.0021 0.0005 1355 ILE 89 CG1 0.0022 -0.0021 0.0008 1356 ILE 89 CG2 0.0012 -0.0027 -0.0001 1357 ILE 89 CD1 0.0019 -0.0016 0.0009 1358 ILE 89 H 0.0010 -0.0026 -0.0002 1359 ILE 89 HA 0.0023 -0.0018 0.0010 1360 ILE 89 HB 0.0012 -0.0015 0.0005 1361 ILE 89 HG12 0.0025 -0.0027 0.0007 1362 ILE 89 HG13 0.0027 -0.0018 0.0013 1363 ILE 89 HG21 0.0007 -0.0027 -0.0004 1364 ILE 89 HG22 0.0009 -0.0025 -0.0002 1365 ILE 89 HG23 0.0015 -0.0033 -0.0002 1366 ILE 89 HD11 0.0013 -0.0018 0.0005 1367 ILE 89 HD12 0.0018 -0.0010 0.0011 1368 ILE 89 HD13 0.0023 -0.0018 0.0010 1369 SER 90 N 0.0034 -0.0030 0.0011 1370 SER 90 CA 0.0041 -0.0037 0.0011 1371 SER 90 C 0.0045 -0.0038 0.0013 1372 SER 90 O 0.0048 -0.0033 0.0018 1373 SER 90 CB 0.0047 -0.0036 0.0015 1374 SER 90 OG 0.0050 -0.0043 0.0013 1375 SER 90 H 0.0035 -0.0024 0.0014 1376 SER 90 HA 0.0039 -0.0042 0.0007 1377 SER 90 HB2 0.0044 -0.0031 0.0016 1378 SER 90 HB3 0.0051 -0.0034 0.0019 1379 SER 90 HG 0.0055 -0.0043 0.0017 1380 THR 91 N 0.0073 -0.0057 0.0024 1381 THR 91 CA 0.0044 -0.0036 0.0021 1382 THR 91 C 0.0033 -0.0020 0.0017 1383 THR 91 O 0.0052 -0.0020 0.0015 1384 THR 91 CB 0.0052 -0.0011 0.0012 1385 THR 91 OG1 0.0081 0.0006 0.0002 1386 THR 91 CG2 0.0058 -0.0027 0.0016 1387 THR 91 H 0.0095 -0.0047 0.0018 1388 THR 91 HA 0.0025 -0.0051 0.0028 1389 THR 91 HB 0.0031 0.0005 0.0009 1390 THR 91 HG1 0.0076 0.0028 -0.0004 1391 THR 91 HG21 0.0080 -0.0042 0.0018 1392 THR 91 HG22 0.0037 -0.0041 0.0024 1393 THR 91 HG23 0.0060 -0.0009 0.0010 1394 THR 92 N 0.0003 -0.0006 0.0017 1395 THR 92 CA -0.0011 0.0009 0.0014 1396 THR 92 C -0.0008 0.0045 0.0002 1397 THR 92 O -0.0027 0.0061 -0.0001 1398 THR 92 CB -0.0047 -0.0000 0.0022 1399 THR 92 OG1 -0.0061 0.0019 0.0017 1400 THR 92 CG2 -0.0068 0.0004 0.0023 1401 THR 92 H -0.0011 -0.0006 0.0018 1402 THR 92 HA 0.0004 -0.0001 0.0015 1403 THR 92 HB -0.0047 -0.0025 0.0030 1404 THR 92 HG1 -0.0067 0.0040 0.0011 1405 THR 92 HG21 -0.0093 -0.0002 0.0029 1406 THR 92 HG22 -0.0068 0.0028 0.0015 1407 THR 92 HG23 -0.0058 -0.0012 0.0027 1408 PRO 93 N 0.0015 0.0058 -0.0006 1409 PRO 93 CA 0.0019 0.0092 -0.0018 1410 PRO 93 C -0.0014 0.0110 -0.0019 1411 PRO 93 O -0.0039 0.0096 -0.0011 1412 PRO 93 CB 0.0044 0.0096 -0.0022 1413 PRO 93 CG 0.0064 0.0066 -0.0015 1414 PRO 93 CD 0.0041 0.0040 -0.0004 1415 PRO 93 HA 0.0027 0.0102 -0.0022 1416 PRO 93 HB2 0.0032 0.0101 -0.0022 1417 PRO 93 HB3 0.0059 0.0116 -0.0031 1418 PRO 93 HG2 0.0073 0.0061 -0.0015 1419 PRO 93 HG3 0.0084 0.0067 -0.0018 1420 PRO 93 HD2 0.0031 0.0030 0.0001 1421 PRO 93 HD3 0.0054 0.0023 0.0000 1422 LEU 94 N -0.0012 0.0142 -0.0030 1423 LEU 94 CA -0.0040 0.0162 -0.0033 1424 LEU 94 C -0.0050 0.0158 -0.0030 1425 LEU 94 O -0.0031 0.0144 -0.0028 1426 LEU 94 CB -0.0032 0.0197 -0.0045 1427 LEU 94 CG -0.0002 0.0202 -0.0051 1428 LEU 94 CD1 0.0027 0.0205 -0.0056 1429 LEU 94 CD2 -0.0008 0.0232 -0.0060 1430 LEU 94 H 0.0009 0.0151 -0.0036 1431 LEU 94 HA -0.0061 0.0156 -0.0028 1432 LEU 94 HB2 -0.0028 0.0208 -0.0049 1433 LEU 94 HB3 -0.0053 0.0209 -0.0046 1434 LEU 94 HG 0.0002 0.0182 -0.0045 1435 LEU 94 HD11 0.0039 0.0181 -0.0050 1436 LEU 94 HD12 0.0045 0.0220 -0.0063 1437 LEU 94 HD13 0.0019 0.0214 -0.0058 1438 LEU 94 HD21 -0.0029 0.0229 -0.0056 1439 LEU 94 HD22 -0.0012 0.0252 -0.0066 1440 LEU 94 HD23 0.0014 0.0235 -0.0064 1441 GLU 95 N -0.0080 0.0169 -0.0030 1442 GLU 95 CA -0.0092 0.0166 -0.0027 1443 GLU 95 C -0.0121 0.0189 -0.0030 1444 GLU 95 O -0.0138 0.0200 -0.0032 1445 GLU 95 CB -0.0101 0.0132 -0.0014 1446 GLU 95 CG -0.0134 0.0122 -0.0007 1447 GLU 95 CD -0.0131 0.0115 -0.0005 1448 GLU 95 OE1 -0.0120 0.0088 0.0002 1449 GLU 95 OE2 -0.0140 0.0136 -0.0010 1450 GLU 95 H -0.0093 0.0180 -0.0031 1451 GLU 95 HA -0.0072 0.0172 -0.0032 1452 GLU 95 HB2 -0.0104 0.0129 -0.0013 1453 GLU 95 HB3 -0.0082 0.0116 -0.0012 1454 GLU 95 HG2 -0.0152 0.0142 -0.0011 1455 GLU 95 HG3 -0.0142 0.0102 0.0001 1456 ASN 96 N -0.0129 0.0196 -0.0032 1457 ASN 96 CA -0.0156 0.0218 -0.0035 1458 ASN 96 C -0.0189 0.0201 -0.0025 1459 ASN 96 O -0.0189 0.0174 -0.0016 1460 ASN 96 CB -0.0151 0.0234 -0.0041 1461 ASN 96 CG -0.0143 0.0210 -0.0034 1462 ASN 96 OD1 -0.0165 0.0198 -0.0027 1463 ASN 96 ND2 -0.0112 0.0204 -0.0037 1464 ASN 96 OXT -0.0213 0.0214 -0.0026 1465 ASN 96 H -0.0115 0.0186 -0.0030 1466 ASN 96 HA -0.0157 0.0236 -0.0041 1467 ASN 96 HB2 -0.0174 0.0247 -0.0042 1468 ASN 96 HB3 -0.0131 0.0250 -0.0049 1469 ASN 96 HD21 -0.0095 0.0215 -0.0042 1470 ASN 96 HD22 -0.0106 0.0188 -0.0032 1471 SER 101 N -0.0011 0.0022 0.0016 1472 SER 101 CA -0.0008 0.0023 0.0021 1473 SER 101 C 0.0004 0.0020 0.0022 1474 SER 101 O 0.0010 0.0020 0.0024 1475 SER 101 CB -0.0012 0.0029 0.0031 1476 SER 101 OG -0.0023 0.0031 0.0030 1477 SER 101 H1 -0.0008 0.0018 0.0009 1478 SER 101 H2 -0.0019 0.0024 0.0015 1479 SER 101 H3 -0.0008 0.0023 0.0020 1480 SER 101 HA -0.0011 0.0022 0.0016 1481 SER 101 HB2 -0.0008 0.0030 0.0036 1482 SER 101 HB3 -0.0012 0.0030 0.0033 1483 SER 101 HG -0.0025 0.0035 0.0036 1484 TRP 102 N 0.0008 0.0019 0.0021 1485 TRP 102 CA 0.0020 0.0016 0.0022 1486 TRP 102 C 0.0025 0.0011 0.0013 1487 TRP 102 O 0.0025 0.0010 0.0012 1488 TRP 102 CB 0.0025 0.0019 0.0032 1489 TRP 102 CG 0.0036 0.0017 0.0035 1490 TRP 102 CD1 0.0045 0.0013 0.0032 1491 TRP 102 CD2 0.0039 0.0019 0.0042 1492 TRP 102 NE1 0.0053 0.0013 0.0036 1493 TRP 102 CE2 0.0050 0.0016 0.0042 1494 TRP 102 CE3 0.0034 0.0023 0.0047 1495 TRP 102 CZ2 0.0056 0.0017 0.0048 1496 TRP 102 CZ3 0.0040 0.0024 0.0052 1497 TRP 102 CH2 0.0051 0.0021 0.0053 1498 TRP 102 H 0.0004 0.0019 0.0019 1499 TRP 102 HA 0.0021 0.0016 0.0022 1500 TRP 102 HB2 0.0020 0.0023 0.0038 1501 TRP 102 HB3 0.0025 0.0019 0.0032 1502 TRP 102 HD1 0.0045 0.0011 0.0027 1503 TRP 102 HE1 0.0061 0.0010 0.0035 1504 TRP 102 HE3 0.0026 0.0025 0.0047 1505 TRP 102 HZ2 0.0065 0.0015 0.0048 1506 TRP 102 HZ3 0.0036 0.0027 0.0057 1507 TRP 102 HH2 0.0055 0.0022 0.0057 1508 GLU 103 N 0.0029 0.0007 0.0007 1509 GLU 103 CA 0.0034 0.0002 -0.0001 1510 GLU 103 C 0.0042 -0.0002 -0.0005 1511 GLU 103 O 0.0050 -0.0005 -0.0007 1512 GLU 103 CB 0.0025 0.0000 -0.0010 1513 GLU 103 CG 0.0029 -0.0005 -0.0020 1514 GLU 103 CD 0.0031 -0.0009 -0.0026 1515 GLU 103 OE1 0.0025 -0.0007 -0.0025 1516 GLU 103 OE2 0.0039 -0.0013 -0.0031 1517 GLU 103 H 0.0029 0.0008 0.0009 1518 GLU 103 HA 0.0038 0.0001 0.0000 1519 GLU 103 HB2 0.0020 0.0002 -0.0008 1520 GLU 103 HB3 0.0020 0.0001 -0.0011 1521 GLU 103 HG2 0.0036 -0.0007 -0.0019 1522 GLU 103 HG3 0.0023 -0.0006 -0.0025 1523 SER 104 N 0.0039 -0.0001 -0.0005 1524 SER 104 CA 0.0045 -0.0005 -0.0009 1525 SER 104 C 0.0054 -0.0004 -0.0001 1526 SER 104 O 0.0058 -0.0006 -0.0002 1527 SER 104 CB 0.0038 -0.0005 -0.0012 1528 SER 104 OG 0.0028 -0.0003 -0.0015 1529 SER 104 H 0.0032 0.0001 -0.0003 1530 SER 104 HA 0.0049 -0.0009 -0.0015 1531 SER 104 HB2 0.0038 -0.0002 -0.0006 1532 SER 104 HB3 0.0042 -0.0008 -0.0018 1533 SER 104 HG 0.0029 -0.0005 -0.0019 1534 HIS 105 N 0.0057 -0.0002 0.0007 1535 HIS 105 CA 0.0066 -0.0001 0.0014 1536 HIS 105 C 0.0076 -0.0006 0.0010 1537 HIS 105 O 0.0083 -0.0006 0.0013 1538 HIS 105 CB 0.0067 0.0003 0.0023 1539 HIS 105 CG 0.0069 0.0001 0.0020 1540 HIS 105 ND1 0.0061 0.0001 0.0014 1541 HIS 105 CD2 0.0077 -0.0001 0.0022 1542 HIS 105 CE1 0.0065 -0.0001 0.0013 1543 HIS 105 NE2 0.0075 -0.0002 0.0017 1544 HIS 105 H 0.0054 -0.0001 0.0007 1545 HIS 105 HA 0.0064 0.0001 0.0017 1546 HIS 105 HB2 0.0073 0.0004 0.0028 1547 HIS 105 HB3 0.0060 0.0007 0.0026 1548 HIS 105 HD2 0.0085 -0.0001 0.0026 1549 HIS 105 HE1 0.0061 -0.0002 0.0009 1550 HIS 105 HE2 0.0079 -0.0002 0.0019 1551 LYS 106 N 0.0077 -0.0009 0.0001 1552 LYS 106 CA 0.0086 -0.0014 -0.0004 1553 LYS 106 C 0.0083 -0.0018 -0.0014 1554 LYS 106 O 0.0090 -0.0022 -0.0019 1555 LYS 106 CB 0.0090 -0.0016 -0.0005 1556 LYS 106 CG 0.0082 -0.0014 -0.0005 1557 LYS 106 CD 0.0074 -0.0016 -0.0014 1558 LYS 106 CE 0.0079 -0.0021 -0.0024 1559 LYS 106 NZ 0.0071 -0.0023 -0.0033 1560 LYS 106 H 0.0071 -0.0009 -0.0001 1561 LYS 106 HA 0.0092 -0.0014 0.0000 1562 LYS 106 HB2 0.0094 -0.0020 -0.0012 1563 LYS 106 HB3 0.0096 -0.0015 0.0001 1564 LYS 106 HG2 0.0086 -0.0015 -0.0005 1565 LYS 106 HG3 0.0078 -0.0010 0.0001 1566 LYS 106 HD2 0.0068 -0.0013 -0.0013 1567 LYS 106 HD3 0.0070 -0.0015 -0.0015 1568 LYS 106 HE2 0.0085 -0.0023 -0.0025 1569 LYS 106 HE3 0.0082 -0.0022 -0.0023 1570 LYS 106 HZ1 0.0074 -0.0027 -0.0039 1571 LYS 106 HZ2 0.0066 -0.0022 -0.0032 1572 LYS 106 HZ3 0.0066 -0.0021 -0.0033 1573 SER 107 N 0.0050 0.0015 -0.0003 1574 SER 107 CA 0.0049 0.0019 -0.0004 1575 SER 107 C 0.0046 0.0020 -0.0002 1576 SER 107 O 0.0045 0.0020 -0.0002 1577 SER 107 CB 0.0052 0.0020 -0.0005 1578 SER 107 OG 0.0055 0.0018 -0.0005 1579 SER 107 H 0.0051 0.0014 -0.0003 1580 SER 107 HA 0.0050 0.0020 -0.0004 1581 SER 107 HB2 0.0051 0.0020 -0.0004 1582 SER 107 HB3 0.0052 0.0023 -0.0005 1583 SER 107 HG 0.0056 0.0019 -0.0006 1584 GLY 108 N 0.0043 0.0021 -0.0002 1585 GLY 108 CA 0.0040 0.0022 -0.0001 1586 GLY 108 C 0.0037 0.0019 0.0001 1587 GLY 108 O 0.0034 0.0020 0.0001 1588 GLY 108 H 0.0044 0.0020 -0.0002 1589 GLY 108 HA2 0.0039 0.0024 -0.0001 1590 GLY 108 HA3 0.0039 0.0022 -0.0000 1591 GLY 109 N 0.0039 0.0016 0.0000 1592 GLY 109 CA 0.0037 0.0013 0.0002 1593 GLY 109 C 0.0036 0.0010 0.0002 1594 GLY 109 O 0.0038 0.0009 0.0002 1595 GLY 109 H 0.0042 0.0016 -0.0000 1596 GLY 109 HA2 0.0039 0.0012 0.0001 1597 GLY 109 HA3 0.0035 0.0015 0.0002 1598 GLU 110 N 0.0033 0.0009 0.0004 1599 GLU 110 CA 0.0031 0.0007 0.0005 1600 GLU 110 C 0.0027 0.0008 0.0006 1601 GLU 110 O 0.0025 0.0005 0.0007 1602 GLU 110 CB 0.0031 0.0003 0.0005 1603 GLU 110 CG 0.0035 0.0002 0.0004 1604 GLU 110 CD 0.0035 -0.0002 0.0005 1605 GLU 110 OE1 0.0035 -0.0005 0.0005 1606 GLU 110 OE2 0.0036 -0.0002 0.0004 1607 GLU 110 H 0.0031 0.0010 0.0004 1608 GLU 110 HA 0.0032 0.0006 0.0004 1609 GLU 110 HB2 0.0030 0.0003 0.0006 1610 GLU 110 HB3 0.0030 0.0001 0.0006 1611 GLU 110 HG2 0.0037 0.0001 0.0004 1612 GLU 110 HG3 0.0036 0.0004 0.0003 1613 THR 111 N 0.0026 0.0011 0.0006 1614 THR 111 CA 0.0023 0.0012 0.0007 1615 THR 111 C 0.0021 0.0010 0.0007 1616 THR 111 O 0.0023 0.0010 0.0007 1617 THR 111 CB 0.0023 0.0017 0.0006 1618 THR 111 OG1 0.0025 0.0018 0.0005 1619 THR 111 CG2 0.0019 0.0018 0.0007 1620 THR 111 H 0.0028 0.0013 0.0005 1621 THR 111 HA 0.0021 0.0012 0.0007 1622 THR 111 HB 0.0024 0.0017 0.0005 1623 THR 111 HG1 0.0027 0.0019 0.0004 1624 THR 111 HG21 0.0018 0.0017 0.0008 1625 THR 111 HG22 0.0019 0.0021 0.0006 1626 THR 111 HG23 0.0018 0.0018 0.0007 1627 ARG 112 N 0.0018 0.0010 0.0009 1628 ARG 112 CA 0.0016 0.0008 0.0010 1629 ARG 112 C 0.0013 0.0009 0.0011 1630 ARG 112 O 0.0011 0.0012 0.0011 1631 ARG 112 CB 0.0016 0.0004 0.0010 1632 ARG 112 CG 0.0014 0.0003 0.0011 1633 ARG 112 CD 0.0013 -0.0001 0.0012 1634 ARG 112 NE 0.0010 -0.0001 0.0013 1635 ARG 112 CZ 0.0007 -0.0003 0.0014 1636 ARG 112 NH1 0.0008 -0.0006 0.0015 1637 ARG 112 NH2 0.0005 -0.0003 0.0015 1638 ARG 112 H 0.0017 0.0010 0.0009 1639 ARG 112 HA 0.0018 0.0008 0.0009 1640 ARG 112 HB2 0.0014 0.0002 0.0011 1641 ARG 112 HB3 0.0018 0.0002 0.0010 1642 ARG 112 HG2 0.0017 0.0003 0.0010 1643 ARG 112 HG3 0.0013 0.0005 0.0011 1644 ARG 112 HD2 0.0014 -0.0003 0.0012 1645 ARG 112 HD3 0.0012 -0.0001 0.0012 1646 ARG 112 HE 0.0009 0.0002 0.0013 1647 ARG 112 HH11 0.0010 -0.0006 0.0014 1648 ARG 112 HH12 0.0006 -0.0008 0.0015 1649 ARG 112 HH21 0.0004 -0.0001 0.0015 1650 ARG 112 HH22 0.0003 -0.0005 0.0016 1651 LEU 113 N 0.0002 0.0016 0.0010 1652 LEU 113 CA -0.0003 0.0016 0.0007 1653 LEU 113 C -0.0008 0.0013 0.0005 1654 LEU 113 O -0.0013 0.0012 0.0002 1655 LEU 113 CB -0.0002 0.0011 0.0007 1656 LEU 113 CG 0.0002 0.0014 0.0009 1657 LEU 113 CD1 -0.0001 0.0021 0.0009 1658 LEU 113 CD2 0.0008 0.0015 0.0012 1659 LEU 113 OXT -0.0008 0.0012 0.0005 1660 LEU 113 H 0.0004 0.0012 0.0010 1661 LEU 113 HA -0.0004 0.0021 0.0007 1662 LEU 113 HB2 0.0000 0.0007 0.0008 1663 LEU 113 HB3 -0.0006 0.0010 0.0005 1664 LEU 113 HG 0.0002 0.0012 0.0009 1665 LEU 113 HD11 0.0000 0.0025 0.0009 1666 LEU 113 HD12 -0.0005 0.0021 0.0007 1667 LEU 113 HD13 0.0002 0.0023 0.0010 1668 LEU 113 HD21 0.0010 0.0010 0.0013 1669 LEU 113 HD22 0.0009 0.0018 0.0013 1670 LEU 113 HD23 0.0011 0.0017 0.0014 1671 GLY 1 N -0.0114 -0.0016 0.0132 1672 GLY 1 CA -0.0104 -0.0008 0.0117 1673 GLY 1 C -0.0074 -0.0015 0.0094 1674 GLY 1 O -0.0063 -0.0002 0.0077 1675 GLY 1 H1 -0.0134 -0.0014 0.0149 1676 GLY 1 H2 -0.0102 -0.0039 0.0136 1677 GLY 1 H3 -0.0112 -0.0002 0.0121 1678 GLY 1 HA2 -0.0115 0.0017 0.0112 1679 GLY 1 HA3 -0.0109 -0.0021 0.0130 1680 GLY 2 N -0.0059 -0.0035 0.0094 1681 GLY 2 CA -0.0030 -0.0044 0.0073 1682 GLY 2 C -0.0016 -0.0076 0.0080 1683 GLY 2 O -0.0030 -0.0089 0.0101 1684 GLY 2 H -0.0068 -0.0045 0.0108 1685 GLY 2 HA2 -0.0022 -0.0043 0.0065 1686 GLY 2 HA3 -0.0025 -0.0027 0.0058 1687 SER 3 N 0.0011 -0.0088 0.0064 1688 SER 3 CA 0.0026 -0.0119 0.0069 1689 SER 3 C 0.0052 -0.0118 0.0046 1690 SER 3 O 0.0061 -0.0098 0.0024 1691 SER 3 CB 0.0035 -0.0143 0.0077 1692 SER 3 OG 0.0012 -0.0139 0.0095 1693 SER 3 H 0.0020 -0.0076 0.0048 1694 SER 3 HA 0.0014 -0.0125 0.0084 1695 SER 3 HB2 0.0051 -0.0140 0.0060 1696 SER 3 HB3 0.0041 -0.0166 0.0085 1697 SER 3 HG 0.0013 -0.0159 0.0107 1698 MET 4 N 0.0062 -0.0139 0.0050 1699 MET 4 CA 0.0087 -0.0142 0.0029 1700 MET 4 C 0.0083 -0.0112 0.0014 1701 MET 4 O 0.0092 -0.0092 -0.0007 1702 MET 4 CB 0.0112 -0.0150 0.0012 1703 MET 4 CG 0.0123 -0.0184 0.0023 1704 MET 4 SD 0.0153 -0.0193 0.0002 1705 MET 4 CE 0.0176 -0.0185 -0.0024 1706 MET 4 H 0.0053 -0.0154 0.0067 1707 MET 4 HA 0.0090 -0.0160 0.0038 1708 MET 4 HB2 0.0107 -0.0135 0.0007 1709 MET 4 HB3 0.0128 -0.0145 -0.0006 1710 MET 4 HG2 0.0128 -0.0199 0.0028 1711 MET 4 HG3 0.0107 -0.0188 0.0040 1712 MET 4 HE1 0.0168 -0.0160 -0.0033 1713 MET 4 HE2 0.0196 -0.0190 -0.0039 1714 MET 4 HE3 0.0178 -0.0198 -0.0017 1715 ARG 5 N 0.0069 -0.0108 0.0024 1716 ARG 5 CA 0.0064 -0.0080 0.0011 1717 ARG 5 C 0.0090 -0.0082 -0.0011 1718 ARG 5 O 0.0104 -0.0106 -0.0009 1719 ARG 5 CB 0.0041 -0.0077 0.0029 1720 ARG 5 CG 0.0013 -0.0068 0.0050 1721 ARG 5 CD 0.0008 -0.0097 0.0072 1722 ARG 5 NE -0.0015 -0.0090 0.0089 1723 ARG 5 CZ -0.0024 -0.0111 0.0110 1724 ARG 5 NH1 -0.0012 -0.0141 0.0118 1725 ARG 5 NH2 -0.0045 -0.0103 0.0124 1726 ARG 5 H 0.0061 -0.0124 0.0041 1727 ARG 5 HA 0.0057 -0.0060 0.0005 1728 ARG 5 HB2 0.0046 -0.0098 0.0039 1729 ARG 5 HB3 0.0041 -0.0059 0.0019 1730 ARG 5 HG2 -0.0002 -0.0057 0.0056 1731 ARG 5 HG3 0.0011 -0.0053 0.0042 1732 ARG 5 HD2 0.0026 -0.0112 0.0065 1733 ARG 5 HD3 0.0004 -0.0110 0.0083 1734 ARG 5 HE -0.0024 -0.0068 0.0083 1735 ARG 5 HH11 0.0004 -0.0148 0.0107 1736 ARG 5 HH12 -0.0019 -0.0157 0.0134 1737 ARG 5 HH21 -0.0055 -0.0080 0.0118 1738 ARG 5 HH22 -0.0052 -0.0119 0.0140 1739 PRO 6 N 0.0098 -0.0057 -0.0034 1740 PRO 6 CA 0.0123 -0.0057 -0.0057 1741 PRO 6 C 0.0120 -0.0049 -0.0059 1742 PRO 6 O 0.0104 -0.0024 -0.0061 1743 PRO 6 CB 0.0128 -0.0030 -0.0078 1744 PRO 6 CG 0.0105 -0.0018 -0.0065 1745 PRO 6 CD 0.0082 -0.0027 -0.0039 1746 PRO 6 HA 0.0140 -0.0078 -0.0059 1747 PRO 6 HB2 0.0128 -0.0012 -0.0090 1748 PRO 6 HB3 0.0148 -0.0039 -0.0090 1749 PRO 6 HG2 0.0099 0.0007 -0.0075 1750 PRO 6 HG3 0.0112 -0.0028 -0.0064 1751 PRO 6 HD2 0.0071 -0.0010 -0.0039 1752 PRO 6 HD3 0.0069 -0.0029 -0.0026 1753 PRO 7 N 0.0045 -0.0054 -0.0005 1754 PRO 7 CA 0.0038 -0.0046 -0.0005 1755 PRO 7 C 0.0029 -0.0049 -0.0011 1756 PRO 7 O 0.0026 -0.0053 -0.0015 1757 PRO 7 CB 0.0037 -0.0040 -0.0002 1758 PRO 7 CG 0.0045 -0.0044 0.0000 1759 PRO 7 CD 0.0048 -0.0053 -0.0004 1760 PRO 7 HA 0.0039 -0.0043 -0.0002 1761 PRO 7 HB2 0.0031 -0.0041 -0.0005 1762 PRO 7 HB3 0.0037 -0.0034 0.0002 1763 PRO 7 HG2 0.0044 -0.0043 0.0000 1764 PRO 7 HG3 0.0050 -0.0041 0.0005 1765 PRO 7 HD2 0.0045 -0.0057 -0.0007 1766 PRO 7 HD3 0.0055 -0.0056 -0.0001 1767 ILE 8 N 0.0025 -0.0047 -0.0011 1768 ILE 8 CA 0.0017 -0.0048 -0.0017 1769 ILE 8 C 0.0009 -0.0041 -0.0016 1770 ILE 8 O 0.0008 -0.0034 -0.0012 1771 ILE 8 CB 0.0016 -0.0050 -0.0018 1772 ILE 8 CG1 0.0025 -0.0055 -0.0016 1773 ILE 8 CG2 0.0009 -0.0055 -0.0024 1774 ILE 8 CD1 0.0026 -0.0055 -0.0016 1775 ILE 8 H 0.0028 -0.0043 -0.0008 1776 ILE 8 HA 0.0016 -0.0054 -0.0020 1777 ILE 8 HB 0.0014 -0.0044 -0.0015 1778 ILE 8 HG12 0.0027 -0.0061 -0.0019 1779 ILE 8 HG13 0.0030 -0.0052 -0.0012 1780 ILE 8 HG21 0.0011 -0.0062 -0.0027 1781 ILE 8 HG22 0.0003 -0.0052 -0.0026 1782 ILE 8 HG23 0.0008 -0.0055 -0.0025 1783 ILE 8 HD11 0.0033 -0.0058 -0.0014 1784 ILE 8 HD12 0.0021 -0.0059 -0.0020 1785 ILE 8 HD13 0.0024 -0.0049 -0.0013 1786 ILE 9 N 0.0004 -0.0042 -0.0019 1787 ILE 9 CA -0.0003 -0.0036 -0.0019 1788 ILE 9 C -0.0011 -0.0034 -0.0022 1789 ILE 9 O -0.0016 -0.0039 -0.0028 1790 ILE 9 CB -0.0005 -0.0038 -0.0022 1791 ILE 9 CG1 0.0003 -0.0043 -0.0021 1792 ILE 9 CG2 -0.0010 -0.0029 -0.0019 1793 ILE 9 CD1 0.0010 -0.0038 -0.0014 1794 ILE 9 H 0.0005 -0.0048 -0.0022 1795 ILE 9 HA -0.0000 -0.0030 -0.0014 1796 ILE 9 HB -0.0010 -0.0042 -0.0026 1797 ILE 9 HG12 0.0006 -0.0049 -0.0022 1798 ILE 9 HG13 0.0001 -0.0045 -0.0023 1799 ILE 9 HG21 -0.0016 -0.0026 -0.0020 1800 ILE 9 HG22 -0.0011 -0.0031 -0.0020 1801 ILE 9 HG23 -0.0005 -0.0025 -0.0014 1802 ILE 9 HD11 0.0015 -0.0042 -0.0014 1803 ILE 9 HD12 0.0013 -0.0037 -0.0012 1804 ILE 9 HD13 0.0007 -0.0032 -0.0012 1805 ILE 10 N -0.0012 -0.0027 -0.0019 1806 ILE 10 CA -0.0020 -0.0024 -0.0021 1807 ILE 10 C -0.0028 -0.0020 -0.0023 1808 ILE 10 O -0.0026 -0.0017 -0.0020 1809 ILE 10 CB -0.0019 -0.0018 -0.0017 1810 ILE 10 CG1 -0.0011 -0.0021 -0.0015 1811 ILE 10 CG2 -0.0027 -0.0016 -0.0020 1812 ILE 10 CD1 -0.0006 -0.0014 -0.0008 1813 ILE 10 H -0.0008 -0.0023 -0.0015 1814 ILE 10 HA -0.0022 -0.0030 -0.0025 1815 ILE 10 HB -0.0018 -0.0012 -0.0013 1816 ILE 10 HG12 -0.0013 -0.0023 -0.0017 1817 ILE 10 HG13 -0.0006 -0.0026 -0.0016 1818 ILE 10 HG21 -0.0026 -0.0012 -0.0017 1819 ILE 10 HG22 -0.0029 -0.0021 -0.0024 1820 ILE 10 HG23 -0.0033 -0.0012 -0.0021 1821 ILE 10 HD11 -0.0003 -0.0012 -0.0006 1822 ILE 10 HD12 -0.0001 -0.0017 -0.0007 1823 ILE 10 HD13 -0.0011 -0.0009 -0.0008 1824 HIS 11 N -0.0036 -0.0018 -0.0026 1825 HIS 11 CA -0.0044 -0.0014 -0.0027 1826 HIS 11 C -0.0050 -0.0008 -0.0028 1827 HIS 11 O -0.0054 -0.0012 -0.0031 1828 HIS 11 CB -0.0048 -0.0020 -0.0033 1829 HIS 11 CG -0.0054 -0.0017 -0.0034 1830 HIS 11 ND1 -0.0063 -0.0015 -0.0038 1831 HIS 11 CD2 -0.0052 -0.0014 -0.0032 1832 HIS 11 CE1 -0.0067 -0.0012 -0.0038 1833 HIS 11 NE2 -0.0060 -0.0011 -0.0034 1834 HIS 11 H -0.0037 -0.0020 -0.0028 1835 HIS 11 HA -0.0041 -0.0010 -0.0024 1836 HIS 11 HB2 -0.0043 -0.0025 -0.0033 1837 HIS 11 HB3 -0.0051 -0.0024 -0.0037 1838 HIS 11 HD2 -0.0046 -0.0014 -0.0028 1839 HIS 11 HE1 -0.0074 -0.0010 -0.0040 1840 HIS 11 HE2 -0.0061 -0.0007 -0.0032 1841 ARG 12 N -0.0052 0.0000 -0.0023 1842 ARG 12 CA -0.0058 0.0006 -0.0023 1843 ARG 12 C -0.0067 0.0005 -0.0029 1844 ARG 12 O -0.0071 0.0006 -0.0030 1845 ARG 12 CB -0.0057 0.0015 -0.0017 1846 ARG 12 CG -0.0062 0.0022 -0.0016 1847 ARG 12 CD -0.0060 0.0031 -0.0010 1848 ARG 12 NE -0.0065 0.0038 -0.0009 1849 ARG 12 CZ -0.0070 0.0045 -0.0006 1850 ARG 12 NH1 -0.0070 0.0048 -0.0005 1851 ARG 12 NH2 -0.0074 0.0051 -0.0005 1852 ARG 12 H -0.0048 0.0002 -0.0020 1853 ARG 12 HA -0.0056 0.0005 -0.0023 1854 ARG 12 HB2 -0.0050 0.0016 -0.0014 1855 ARG 12 HB3 -0.0061 0.0017 -0.0018 1856 ARG 12 HG2 -0.0069 0.0022 -0.0019 1857 ARG 12 HG3 -0.0059 0.0020 -0.0016 1858 ARG 12 HD2 -0.0053 0.0031 -0.0007 1859 ARG 12 HD3 -0.0063 0.0032 -0.0010 1860 ARG 12 HE -0.0065 0.0036 -0.0009 1861 ARG 12 HH11 -0.0067 0.0043 -0.0006 1862 ARG 12 HH12 -0.0074 0.0054 -0.0004 1863 ARG 12 HH21 -0.0074 0.0049 -0.0006 1864 ARG 12 HH22 -0.0078 0.0057 -0.0004 1865 ALA 13 N -0.0077 -0.0005 -0.0033 1866 ALA 13 CA -0.0088 -0.0007 -0.0039 1867 ALA 13 C -0.0095 0.0003 -0.0039 1868 ALA 13 O -0.0101 0.0003 -0.0042 1869 ALA 13 CB -0.0088 -0.0017 -0.0042 1870 ALA 13 H -0.0072 -0.0007 -0.0031 1871 ALA 13 HA -0.0092 -0.0010 -0.0041 1872 ALA 13 HB1 -0.0096 -0.0018 -0.0046 1873 ALA 13 HB2 -0.0084 -0.0015 -0.0039 1874 ALA 13 HB3 -0.0084 -0.0025 -0.0042 1875 GLY 14 N -0.0094 0.0013 -0.0036 1876 GLY 14 CA -0.0100 0.0024 -0.0035 1877 GLY 14 C -0.0095 0.0029 -0.0032 1878 GLY 14 O -0.0100 0.0038 -0.0031 1879 GLY 14 H -0.0089 0.0013 -0.0033 1880 GLY 14 HA2 -0.0100 0.0030 -0.0034 1881 GLY 14 HA3 -0.0108 0.0022 -0.0040 1882 LYS 15 N -0.0086 0.0024 -0.0029 1883 LYS 15 CA -0.0081 0.0028 -0.0025 1884 LYS 15 C -0.0069 0.0029 -0.0019 1885 LYS 15 O -0.0067 0.0038 -0.0015 1886 LYS 15 CB -0.0082 0.0020 -0.0028 1887 LYS 15 CG -0.0083 0.0008 -0.0032 1888 LYS 15 CD -0.0083 -0.0000 -0.0034 1889 LYS 15 CE -0.0091 0.0004 -0.0037 1890 LYS 15 NZ -0.0093 -0.0005 -0.0040 1891 LYS 15 H -0.0083 0.0017 -0.0029 1892 LYS 15 HA -0.0085 0.0036 -0.0025 1893 LYS 15 HB2 -0.0075 0.0020 -0.0025 1894 LYS 15 HB3 -0.0089 0.0023 -0.0030 1895 LYS 15 HG2 -0.0091 0.0008 -0.0036 1896 LYS 15 HG3 -0.0077 0.0005 -0.0030 1897 LYS 15 HD2 -0.0084 -0.0008 -0.0037 1898 LYS 15 HD3 -0.0075 -0.0000 -0.0030 1899 LYS 15 HE2 -0.0088 0.0011 -0.0033 1900 LYS 15 HE3 -0.0099 0.0007 -0.0040 1901 LYS 15 HZ1 -0.0098 -0.0001 -0.0042 1902 LYS 15 HZ2 -0.0085 -0.0008 -0.0038 1903 LYS 15 HZ3 -0.0096 -0.0012 -0.0044 1904 LYS 16 N -0.0063 0.0020 -0.0019 1905 LYS 16 CA -0.0051 0.0020 -0.0013 1906 LYS 16 C -0.0046 0.0008 -0.0014 1907 LYS 16 O -0.0051 -0.0001 -0.0019 1908 LYS 16 CB -0.0046 0.0024 -0.0009 1909 LYS 16 CG -0.0048 0.0018 -0.0012 1910 LYS 16 CD -0.0043 0.0023 -0.0008 1911 LYS 16 CE -0.0046 0.0017 -0.0012 1912 LYS 16 NZ -0.0058 0.0021 -0.0016 1913 LYS 16 H -0.0065 0.0012 -0.0022 1914 LYS 16 HA -0.0050 0.0025 -0.0011 1915 LYS 16 HB2 -0.0037 0.0023 -0.0006 1916 LYS 16 HB3 -0.0049 0.0033 -0.0008 1917 LYS 16 HG2 -0.0057 0.0019 -0.0016 1918 LYS 16 HG3 -0.0045 0.0009 -0.0013 1919 LYS 16 HD2 -0.0035 0.0022 -0.0005 1920 LYS 16 HD3 -0.0046 0.0032 -0.0007 1921 LYS 16 HE2 -0.0045 0.0008 -0.0014 1922 LYS 16 HE3 -0.0041 0.0020 -0.0008 1923 LYS 16 HZ1 -0.0059 0.0029 -0.0014 1924 LYS 16 HZ2 -0.0060 0.0016 -0.0019 1925 LYS 16 HZ3 -0.0063 0.0020 -0.0019 1926 TYR 17 N -0.0035 0.0007 -0.0009 1927 TYR 17 CA -0.0029 -0.0004 -0.0010 1928 TYR 17 C -0.0025 -0.0010 -0.0009 1929 TYR 17 O -0.0019 -0.0019 -0.0010 1930 TYR 17 CB -0.0019 -0.0003 -0.0005 1931 TYR 17 CG -0.0023 0.0005 -0.0004 1932 TYR 17 CD1 -0.0024 0.0017 -0.0001 1933 TYR 17 CD2 -0.0026 0.0001 -0.0007 1934 TYR 17 CE1 -0.0027 0.0024 -0.0000 1935 TYR 17 CE2 -0.0029 0.0008 -0.0006 1936 TYR 17 CZ -0.0030 0.0020 -0.0003 1937 TYR 17 OH -0.0033 0.0027 -0.0002 1938 TYR 17 H -0.0031 0.0013 -0.0006 1939 TYR 17 HA -0.0034 -0.0010 -0.0014 1940 TYR 17 HB2 -0.0013 0.0001 -0.0001 1941 TYR 17 HB3 -0.0016 -0.0011 -0.0005 1942 TYR 17 HD1 -0.0022 0.0021 0.0001 1943 TYR 17 HD2 -0.0025 -0.0008 -0.0009 1944 TYR 17 HE1 -0.0028 0.0034 0.0002 1945 TYR 17 HE2 -0.0031 0.0005 -0.0008 1946 TYR 17 HH -0.0027 0.0029 0.0001 1947 GLY 18 N -0.0028 -0.0004 -0.0009 1948 GLY 18 CA -0.0025 -0.0008 -0.0009 1949 GLY 18 C -0.0014 -0.0009 -0.0004 1950 GLY 18 O -0.0011 -0.0009 -0.0002 1951 GLY 18 H -0.0032 0.0003 -0.0009 1952 GLY 18 HA2 -0.0030 -0.0002 -0.0009 1953 GLY 18 HA3 -0.0028 -0.0016 -0.0013 1954 PHE 19 N 0.0005 -0.0003 0.0010 1955 PHE 19 CA 0.0009 -0.0004 0.0012 1956 PHE 19 C 0.0011 -0.0001 0.0011 1957 PHE 19 O 0.0010 0.0002 0.0009 1958 PHE 19 CB 0.0008 -0.0006 0.0012 1959 PHE 19 CG 0.0007 -0.0004 0.0011 1960 PHE 19 CD1 0.0004 -0.0003 0.0009 1961 PHE 19 CD2 0.0010 -0.0003 0.0012 1962 PHE 19 CE1 0.0003 -0.0001 0.0008 1963 PHE 19 CE2 0.0009 -0.0001 0.0010 1964 PHE 19 CZ 0.0006 -0.0000 0.0009 1965 PHE 19 H 0.0003 -0.0003 0.0009 1966 PHE 19 HA 0.0010 -0.0006 0.0013 1967 PHE 19 HB2 0.0010 -0.0008 0.0014 1968 PHE 19 HB3 0.0006 -0.0008 0.0012 1969 PHE 19 HD1 0.0002 -0.0003 0.0009 1970 PHE 19 HD2 0.0012 -0.0004 0.0013 1971 PHE 19 HE1 0.0000 0.0000 0.0007 1972 PHE 19 HE2 0.0011 -0.0001 0.0011 1973 PHE 19 HZ 0.0005 0.0001 0.0008 1974 THR 20 N 0.0015 -0.0001 0.0013 1975 THR 20 CA 0.0018 0.0002 0.0012 1976 THR 20 C 0.0019 0.0002 0.0013 1977 THR 20 O 0.0021 -0.0001 0.0015 1978 THR 20 CB 0.0021 0.0001 0.0014 1979 THR 20 OG1 0.0019 0.0001 0.0013 1980 THR 20 CG2 0.0024 0.0004 0.0014 1981 THR 20 H 0.0015 -0.0004 0.0014 1982 THR 20 HA 0.0017 0.0004 0.0011 1983 THR 20 HB 0.0022 -0.0001 0.0015 1984 THR 20 HG1 0.0017 -0.0001 0.0013 1985 THR 20 HG21 0.0023 0.0006 0.0012 1986 THR 20 HG22 0.0025 0.0005 0.0014 1987 THR 20 HG23 0.0026 0.0003 0.0015 1988 LEU 21 N 0.0019 0.0004 0.0012 1989 LEU 21 CA 0.0020 0.0005 0.0012 1990 LEU 21 C 0.0024 0.0006 0.0013 1991 LEU 21 O 0.0025 0.0010 0.0012 1992 LEU 21 CB 0.0018 0.0007 0.0010 1993 LEU 21 CG 0.0018 0.0006 0.0011 1994 LEU 21 CD1 0.0019 0.0002 0.0013 1995 LEU 21 CD2 0.0014 0.0006 0.0009 1996 LEU 21 H 0.0018 0.0006 0.0010 1997 LEU 21 HA 0.0020 0.0002 0.0013 1998 LEU 21 HB2 0.0016 0.0007 0.0009 1999 LEU 21 HB3 0.0020 0.0010 0.0009 2000 LEU 21 HG 0.0020 0.0008 0.0010 2001 LEU 21 HD11 0.0019 0.0002 0.0013 2002 LEU 21 HD12 0.0018 0.0000 0.0013 2003 LEU 21 HD13 0.0022 0.0002 0.0014 2004 LEU 21 HD21 0.0013 0.0004 0.0009 2005 LEU 21 HD22 0.0014 0.0005 0.0009 2006 LEU 21 HD23 0.0013 0.0008 0.0008 2007 ARG 22 N 0.0027 0.0004 0.0015 2008 ARG 22 CA 0.0031 0.0005 0.0016 2009 ARG 22 C 0.0032 0.0007 0.0015 2010 ARG 22 O 0.0031 0.0005 0.0016 2011 ARG 22 CB 0.0033 0.0002 0.0018 2012 ARG 22 CG 0.0036 0.0003 0.0018 2013 ARG 22 CD 0.0035 0.0004 0.0018 2014 ARG 22 NE 0.0038 0.0004 0.0019 2015 ARG 22 CZ 0.0038 0.0006 0.0018 2016 ARG 22 NH1 0.0036 0.0009 0.0016 2017 ARG 22 NH2 0.0041 0.0005 0.0019 2018 ARG 22 H 0.0026 0.0002 0.0015 2019 ARG 22 HA 0.0031 0.0007 0.0015 2020 ARG 22 HB2 0.0031 0.0000 0.0018 2021 ARG 22 HB3 0.0034 0.0001 0.0019 2022 ARG 22 HG2 0.0038 0.0001 0.0020 2023 ARG 22 HG3 0.0038 0.0006 0.0018 2024 ARG 22 HD2 0.0035 0.0007 0.0016 2025 ARG 22 HD3 0.0033 0.0003 0.0017 2026 ARG 22 HE 0.0040 0.0002 0.0020 2027 ARG 22 HH11 0.0035 0.0009 0.0015 2028 ARG 22 HH12 0.0037 0.0010 0.0016 2029 ARG 22 HH21 0.0043 0.0004 0.0021 2030 ARG 22 HH22 0.0041 0.0007 0.0019 2031 ALA 23 N 0.0035 0.0010 0.0015 2032 ALA 23 CA 0.0036 0.0011 0.0015 2033 ALA 23 C 0.0040 0.0010 0.0017 2034 ALA 23 O 0.0042 0.0010 0.0018 2035 ALA 23 CB 0.0037 0.0015 0.0013 2036 ALA 23 H 0.0035 0.0011 0.0015 2037 ALA 23 HA 0.0034 0.0010 0.0015 2038 ALA 23 HB1 0.0038 0.0016 0.0013 2039 ALA 23 HB2 0.0034 0.0016 0.0012 2040 ALA 23 HB3 0.0038 0.0016 0.0013 2041 ILE 24 N 0.0040 0.0009 0.0018 2042 ILE 24 CA 0.0044 0.0007 0.0019 2043 ILE 24 C 0.0045 0.0009 0.0019 2044 ILE 24 O 0.0043 0.0010 0.0018 2045 ILE 24 CB 0.0043 0.0003 0.0021 2046 ILE 24 CG1 0.0040 0.0002 0.0021 2047 ILE 24 CG2 0.0042 0.0002 0.0021 2048 ILE 24 CD1 0.0040 -0.0002 0.0022 2049 ILE 24 H 0.0038 0.0009 0.0017 2050 ILE 24 HA 0.0046 0.0008 0.0020 2051 ILE 24 HB 0.0046 0.0003 0.0022 2052 ILE 24 HG12 0.0037 0.0002 0.0020 2053 ILE 24 HG13 0.0040 0.0004 0.0020 2054 ILE 24 HG21 0.0040 0.0003 0.0020 2055 ILE 24 HG22 0.0044 0.0003 0.0022 2056 ILE 24 HG23 0.0042 -0.0001 0.0023 2057 ILE 24 HD11 0.0038 -0.0003 0.0022 2058 ILE 24 HD12 0.0040 -0.0003 0.0023 2059 ILE 24 HD13 0.0043 -0.0002 0.0023 2060 ARG 25 N 0.0027 0.0005 0.0011 2061 ARG 25 CA 0.0012 0.0003 -0.0001 2062 ARG 25 C -0.0002 0.0015 -0.0001 2063 ARG 25 O -0.0005 0.0012 -0.0005 2064 ARG 25 CB 0.0013 -0.0012 -0.0014 2065 ARG 25 CG 0.0022 -0.0024 -0.0018 2066 ARG 25 CD 0.0022 -0.0039 -0.0031 2067 ARG 25 NE 0.0030 -0.0051 -0.0035 2068 ARG 25 CZ 0.0030 -0.0064 -0.0047 2069 ARG 25 NH1 0.0023 -0.0068 -0.0056 2070 ARG 25 NH2 0.0038 -0.0074 -0.0050 2071 ARG 25 H 0.0029 0.0008 0.0015 2072 ARG 25 HA 0.0009 0.0005 -0.0002 2073 ARG 25 HB2 0.0020 -0.0015 -0.0012 2074 ARG 25 HB3 0.0001 -0.0012 -0.0022 2075 ARG 25 HG2 0.0016 -0.0021 -0.0020 2076 ARG 25 HG3 0.0034 -0.0025 -0.0010 2077 ARG 25 HD2 0.0029 -0.0042 -0.0029 2078 ARG 25 HD3 0.0010 -0.0038 -0.0039 2079 ARG 25 HE 0.0036 -0.0048 -0.0029 2080 ARG 25 HH11 0.0017 -0.0061 -0.0053 2081 ARG 25 HH12 0.0023 -0.0078 -0.0065 2082 ARG 25 HH21 0.0044 -0.0072 -0.0044 2083 ARG 25 HH22 0.0038 -0.0085 -0.0059 2084 VAL 26 N -0.0010 0.0027 0.0004 2085 VAL 26 CA -0.0023 0.0039 0.0005 2086 VAL 26 C -0.0039 0.0036 -0.0009 2087 VAL 26 O -0.0044 0.0034 -0.0014 2088 VAL 26 CB -0.0027 0.0054 0.0016 2089 VAL 26 CG1 -0.0015 0.0061 0.0030 2090 VAL 26 CG2 -0.0025 0.0052 0.0015 2091 VAL 26 H -0.0007 0.0028 0.0007 2092 VAL 26 HA -0.0020 0.0040 0.0008 2093 VAL 26 HB -0.0039 0.0061 0.0014 2094 VAL 26 HG11 -0.0015 0.0069 0.0037 2095 VAL 26 HG12 -0.0003 0.0052 0.0031 2096 VAL 26 HG13 -0.0019 0.0066 0.0032 2097 VAL 26 HG21 -0.0029 0.0063 0.0022 2098 VAL 26 HG22 -0.0033 0.0046 0.0005 2099 VAL 26 HG23 -0.0013 0.0045 0.0018 2100 TYR 27 N -0.0046 0.0036 -0.0013 2101 TYR 27 CA -0.0060 0.0033 -0.0026 2102 TYR 27 C -0.0075 0.0047 -0.0024 2103 TYR 27 O -0.0075 0.0060 -0.0013 2104 TYR 27 CB -0.0062 0.0028 -0.0032 2105 TYR 27 CG -0.0050 0.0012 -0.0038 2106 TYR 27 CD1 -0.0035 0.0009 -0.0029 2107 TYR 27 CD2 -0.0055 0.0000 -0.0051 2108 TYR 27 CE1 -0.0025 -0.0005 -0.0034 2109 TYR 27 CE2 -0.0044 -0.0014 -0.0056 2110 TYR 27 CZ -0.0029 -0.0017 -0.0048 2111 TYR 27 OH -0.0018 -0.0031 -0.0053 2112 TYR 27 H -0.0041 0.0038 -0.0008 2113 TYR 27 HA -0.0060 0.0025 -0.0033 2114 TYR 27 HB2 -0.0060 0.0035 -0.0025 2115 TYR 27 HB3 -0.0074 0.0028 -0.0041 2116 TYR 27 HD1 -0.0032 0.0019 -0.0019 2117 TYR 27 HD2 -0.0066 0.0002 -0.0058 2118 TYR 27 HE1 -0.0013 -0.0007 -0.0028 2119 TYR 27 HE2 -0.0048 -0.0023 -0.0067 2120 TYR 27 HH -0.0017 -0.0037 -0.0057 2121 MET 28 N -0.0087 0.0046 -0.0034 2122 MET 28 CA -0.0101 0.0058 -0.0033 2123 MET 28 C -0.0116 0.0057 -0.0045 2124 MET 28 O -0.0128 0.0060 -0.0051 2125 MET 28 CB -0.0102 0.0060 -0.0033 2126 MET 28 CG -0.0088 0.0062 -0.0021 2127 MET 28 SD -0.0090 0.0064 -0.0020 2128 MET 28 CE -0.0107 0.0082 -0.0017 2129 MET 28 H -0.0086 0.0036 -0.0043 2130 MET 28 HA -0.0100 0.0068 -0.0024 2131 MET 28 HB2 -0.0102 0.0050 -0.0042 2132 MET 28 HB3 -0.0113 0.0069 -0.0033 2133 MET 28 HG2 -0.0087 0.0072 -0.0012 2134 MET 28 HG3 -0.0077 0.0053 -0.0022 2135 MET 28 HE1 -0.0104 0.0090 -0.0008 2136 MET 28 HE2 -0.0118 0.0081 -0.0025 2137 MET 28 HE3 -0.0109 0.0086 -0.0015 2138 GLY 29 N -0.0115 0.0053 -0.0048 2139 GLY 29 CA -0.0129 0.0052 -0.0059 2140 GLY 29 C -0.0124 0.0041 -0.0065 2141 GLY 29 O -0.0111 0.0036 -0.0060 2142 GLY 29 H -0.0105 0.0051 -0.0043 2143 GLY 29 HA2 -0.0137 0.0062 -0.0055 2144 GLY 29 HA3 -0.0135 0.0048 -0.0067 2145 ASP 30 N -0.0136 0.0037 -0.0077 2146 ASP 30 CA -0.0133 0.0026 -0.0085 2147 ASP 30 C -0.0126 0.0010 -0.0094 2148 ASP 30 O -0.0117 0.0000 -0.0095 2149 ASP 30 CB -0.0149 0.0029 -0.0093 2150 ASP 30 CG -0.0148 0.0018 -0.0103 2151 ASP 30 OD1 -0.0144 0.0020 -0.0098 2152 ASP 30 OD2 -0.0151 0.0007 -0.0114 2153 ASP 30 H -0.0146 0.0041 -0.0081 2154 ASP 30 HA -0.0125 0.0028 -0.0077 2155 ASP 30 HB2 -0.0153 0.0040 -0.0087 2156 ASP 30 HB3 -0.0158 0.0029 -0.0100 2157 SER 31 N -0.0153 0.0006 -0.0117 2158 SER 31 CA -0.0147 -0.0013 -0.0122 2159 SER 31 C -0.0127 -0.0019 -0.0111 2160 SER 31 O -0.0118 -0.0008 -0.0100 2161 SER 31 CB -0.0155 -0.0014 -0.0128 2162 SER 31 OG -0.0173 -0.0003 -0.0135 2163 SER 31 H -0.0159 0.0017 -0.0116 2164 SER 31 HA -0.0152 -0.0023 -0.0131 2165 SER 31 HB2 -0.0148 -0.0007 -0.0120 2166 SER 31 HB3 -0.0154 -0.0028 -0.0135 2167 SER 31 HG -0.0178 -0.0001 -0.0138 2168 ASP 32 N -0.0120 -0.0036 -0.0115 2169 ASP 32 CA -0.0100 -0.0044 -0.0105 2170 ASP 32 C -0.0093 -0.0034 -0.0095 2171 ASP 32 O -0.0080 -0.0043 -0.0090 2172 ASP 32 CB -0.0096 -0.0066 -0.0112 2173 ASP 32 CG -0.0078 -0.0076 -0.0105 2174 ASP 32 OD1 -0.0076 -0.0075 -0.0103 2175 ASP 32 OD2 -0.0065 -0.0084 -0.0100 2176 ASP 32 H -0.0127 -0.0044 -0.0124 2177 ASP 32 HA -0.0095 -0.0041 -0.0099 2178 ASP 32 HB2 -0.0106 -0.0072 -0.0122 2179 ASP 32 HB3 -0.0095 -0.0069 -0.0113 2180 VAL 33 N -0.0102 -0.0016 -0.0092 2181 VAL 33 CA -0.0096 -0.0005 -0.0083 2182 VAL 33 C -0.0082 0.0005 -0.0068 2183 VAL 33 O -0.0086 0.0017 -0.0065 2184 VAL 33 CB -0.0112 0.0010 -0.0086 2185 VAL 33 CG1 -0.0124 0.0021 -0.0089 2186 VAL 33 CG2 -0.0105 0.0023 -0.0075 2187 VAL 33 H -0.0112 -0.0010 -0.0096 2188 VAL 33 HA -0.0090 -0.0016 -0.0084 2189 VAL 33 HB -0.0119 0.0002 -0.0096 2190 VAL 33 HG11 -0.0135 0.0031 -0.0092 2191 VAL 33 HG12 -0.0117 0.0029 -0.0080 2192 VAL 33 HG13 -0.0129 0.0012 -0.0097 2193 VAL 33 HG21 -0.0116 0.0033 -0.0078 2194 VAL 33 HG22 -0.0096 0.0014 -0.0073 2195 VAL 33 HG23 -0.0098 0.0031 -0.0066 2196 TYR 34 N -0.0067 -0.0000 -0.0060 2197 TYR 34 CA -0.0052 0.0008 -0.0046 2198 TYR 34 C -0.0040 0.0009 -0.0037 2199 TYR 34 O -0.0039 -0.0003 -0.0042 2200 TYR 34 CB -0.0041 -0.0004 -0.0044 2201 TYR 34 CG -0.0034 -0.0026 -0.0049 2202 TYR 34 CD1 -0.0017 -0.0032 -0.0041 2203 TYR 34 CD2 -0.0043 -0.0039 -0.0063 2204 TYR 34 CE1 -0.0011 -0.0052 -0.0046 2205 TYR 34 CE2 -0.0037 -0.0059 -0.0067 2206 TYR 34 CZ -0.0020 -0.0065 -0.0059 2207 TYR 34 OH -0.0014 -0.0084 -0.0064 2208 TYR 34 H -0.0065 -0.0010 -0.0063 2209 TYR 34 HA -0.0058 0.0022 -0.0043 2210 TYR 34 HB2 -0.0030 0.0002 -0.0033 2211 TYR 34 HB3 -0.0049 -0.0003 -0.0049 2212 TYR 34 HD1 -0.0010 -0.0022 -0.0031 2213 TYR 34 HD2 -0.0056 -0.0034 -0.0069 2214 TYR 34 HE1 0.0002 -0.0056 -0.0039 2215 TYR 34 HE2 -0.0044 -0.0069 -0.0078 2216 TYR 34 HH -0.0023 -0.0089 -0.0073 2217 THR 35 N -0.0032 0.0023 -0.0025 2218 THR 35 CA -0.0020 0.0025 -0.0015 2219 THR 35 C -0.0001 0.0018 -0.0005 2220 THR 35 O 0.0003 0.0024 0.0001 2221 THR 35 CB -0.0024 0.0046 -0.0007 2222 THR 35 OG1 -0.0036 0.0059 -0.0010 2223 THR 35 CG2 -0.0032 0.0049 -0.0012 2224 THR 35 H -0.0034 0.0032 -0.0021 2225 THR 35 HA -0.0023 0.0016 -0.0021 2226 THR 35 HB -0.0012 0.0051 0.0003 2227 THR 35 HG1 -0.0047 0.0064 -0.0015 2228 THR 35 HG21 -0.0034 0.0063 -0.0006 2229 THR 35 HG22 -0.0045 0.0045 -0.0023 2230 THR 35 HG23 -0.0024 0.0039 -0.0011 2231 VAL 36 N 0.0010 0.0006 -0.0004 2232 VAL 36 CA 0.0028 -0.0002 0.0006 2233 VAL 36 C 0.0039 0.0013 0.0020 2234 VAL 36 O 0.0044 0.0013 0.0024 2235 VAL 36 CB 0.0036 -0.0022 0.0002 2236 VAL 36 CG1 0.0055 -0.0031 0.0010 2237 VAL 36 CG2 0.0024 -0.0035 -0.0013 2238 VAL 36 H 0.0005 0.0001 -0.0009 2239 VAL 36 HA 0.0029 -0.0004 0.0005 2240 VAL 36 HB 0.0038 -0.0019 0.0004 2241 VAL 36 HG11 0.0060 -0.0044 0.0007 2242 VAL 36 HG12 0.0053 -0.0033 0.0007 2243 VAL 36 HG13 0.0063 -0.0021 0.0021 2244 VAL 36 HG21 0.0012 -0.0029 -0.0019 2245 VAL 36 HG22 0.0023 -0.0038 -0.0016 2246 VAL 36 HG23 0.0030 -0.0049 -0.0016 2247 HIS 37 N 0.0041 0.0011 0.0017 2248 HIS 37 CA 0.0038 0.0009 0.0017 2249 HIS 37 C 0.0037 0.0008 0.0017 2250 HIS 37 O 0.0038 0.0009 0.0017 2251 HIS 37 CB 0.0039 0.0005 0.0018 2252 HIS 37 CG 0.0040 0.0006 0.0018 2253 HIS 37 ND1 0.0039 0.0008 0.0017 2254 HIS 37 CD2 0.0042 0.0004 0.0018 2255 HIS 37 CE1 0.0041 0.0007 0.0017 2256 HIS 37 NE2 0.0043 0.0005 0.0018 2257 HIS 37 H 0.0043 0.0010 0.0017 2258 HIS 37 HA 0.0036 0.0010 0.0017 2259 HIS 37 HB2 0.0041 0.0005 0.0018 2260 HIS 37 HB3 0.0037 0.0004 0.0018 2261 HIS 37 HD2 0.0044 0.0002 0.0019 2262 HIS 37 HE1 0.0041 0.0009 0.0017 2263 HIS 37 HE2 0.0044 0.0004 0.0018 2264 HIS 38 N 0.0034 0.0006 0.0017 2265 HIS 38 CA 0.0033 0.0005 0.0017 2266 HIS 38 C 0.0032 0.0002 0.0018 2267 HIS 38 O 0.0031 0.0000 0.0018 2268 HIS 38 CB 0.0030 0.0007 0.0017 2269 HIS 38 CG 0.0031 0.0011 0.0016 2270 HIS 38 ND1 0.0032 0.0012 0.0016 2271 HIS 38 CD2 0.0030 0.0013 0.0015 2272 HIS 38 CE1 0.0033 0.0015 0.0015 2273 HIS 38 NE2 0.0032 0.0015 0.0015 2274 HIS 38 H 0.0034 0.0005 0.0017 2275 HIS 38 HA 0.0034 0.0005 0.0017 2276 HIS 38 HB2 0.0028 0.0007 0.0016 2277 HIS 38 HB3 0.0029 0.0007 0.0017 2278 HIS 38 HD2 0.0029 0.0013 0.0015 2279 HIS 38 HE1 0.0034 0.0016 0.0015 2280 HIS 38 HE2 0.0032 0.0017 0.0014 2281 MET 39 N 0.0031 0.0000 0.0018 2282 MET 39 CA 0.0030 -0.0003 0.0019 2283 MET 39 C 0.0028 -0.0003 0.0019 2284 MET 39 O 0.0028 -0.0002 0.0018 2285 MET 39 CB 0.0033 -0.0005 0.0019 2286 MET 39 CG 0.0035 -0.0005 0.0020 2287 MET 39 SD 0.0038 -0.0008 0.0021 2288 MET 39 CE 0.0040 -0.0007 0.0021 2289 MET 39 H 0.0031 0.0002 0.0018 2290 MET 39 HA 0.0029 -0.0003 0.0019 2291 MET 39 HB2 0.0034 -0.0004 0.0019 2292 MET 39 HB3 0.0032 -0.0007 0.0020 2293 MET 39 HG2 0.0033 -0.0006 0.0020 2294 MET 39 HG3 0.0036 -0.0003 0.0019 2295 MET 39 HE1 0.0042 -0.0009 0.0021 2296 MET 39 HE2 0.0038 -0.0007 0.0020 2297 MET 39 HE3 0.0041 -0.0005 0.0020 2298 VAL 40 N 0.0026 -0.0005 0.0019 2299 VAL 40 CA 0.0023 -0.0006 0.0019 2300 VAL 40 C 0.0025 -0.0008 0.0019 2301 VAL 40 O 0.0025 -0.0011 0.0020 2302 VAL 40 CB 0.0020 -0.0008 0.0019 2303 VAL 40 CG1 0.0021 -0.0010 0.0020 2304 VAL 40 CG2 0.0018 -0.0009 0.0019 2305 VAL 40 H 0.0025 -0.0006 0.0019 2306 VAL 40 HA 0.0023 -0.0004 0.0018 2307 VAL 40 HB 0.0019 -0.0006 0.0019 2308 VAL 40 HG11 0.0022 -0.0012 0.0020 2309 VAL 40 HG12 0.0022 -0.0010 0.0020 2310 VAL 40 HG13 0.0019 -0.0011 0.0020 2311 VAL 40 HG21 0.0018 -0.0007 0.0019 2312 VAL 40 HG22 0.0019 -0.0011 0.0020 2313 VAL 40 HG23 0.0016 -0.0009 0.0019 2314 TRP 41 N 0.0026 -0.0006 0.0019 2315 TRP 41 CA 0.0027 -0.0008 0.0020 2316 TRP 41 C 0.0025 -0.0010 0.0020 2317 TRP 41 O 0.0026 -0.0012 0.0021 2318 TRP 41 CB 0.0028 -0.0005 0.0019 2319 TRP 41 CG 0.0031 -0.0006 0.0020 2320 TRP 41 CD1 0.0032 -0.0006 0.0020 2321 TRP 41 CD2 0.0034 -0.0007 0.0020 2322 TRP 41 NE1 0.0035 -0.0007 0.0020 2323 TRP 41 CE2 0.0036 -0.0008 0.0020 2324 TRP 41 CE3 0.0035 -0.0007 0.0020 2325 TRP 41 CZ2 0.0039 -0.0009 0.0021 2326 TRP 41 CZ3 0.0038 -0.0008 0.0021 2327 TRP 41 CH2 0.0040 -0.0009 0.0021 2328 TRP 41 H 0.0025 -0.0004 0.0019 2329 TRP 41 HA 0.0029 -0.0009 0.0020 2330 TRP 41 HB2 0.0029 -0.0003 0.0019 2331 TRP 41 HB3 0.0027 -0.0005 0.0019 2332 TRP 41 HD1 0.0030 -0.0005 0.0019 2333 TRP 41 HE1 0.0035 -0.0007 0.0020 2334 TRP 41 HE3 0.0034 -0.0007 0.0020 2335 TRP 41 HZ2 0.0041 -0.0009 0.0021 2336 TRP 41 HZ3 0.0039 -0.0009 0.0021 2337 TRP 41 HH2 0.0043 -0.0010 0.0021 2338 HIS 42 N 0.0022 -0.0009 0.0020 2339 HIS 42 CA 0.0020 -0.0011 0.0020 2340 HIS 42 C 0.0017 -0.0010 0.0019 2341 HIS 42 O 0.0016 -0.0008 0.0019 2342 HIS 42 CB 0.0021 -0.0011 0.0020 2343 HIS 42 CG 0.0020 -0.0013 0.0020 2344 HIS 42 ND1 0.0022 -0.0015 0.0021 2345 HIS 42 CD2 0.0017 -0.0015 0.0020 2346 HIS 42 CE1 0.0021 -0.0017 0.0021 2347 HIS 42 NE2 0.0018 -0.0017 0.0021 2348 HIS 42 H 0.0022 -0.0007 0.0019 2349 HIS 42 HA 0.0021 -0.0013 0.0020 2350 HIS 42 HB2 0.0023 -0.0010 0.0020 2351 HIS 42 HB3 0.0019 -0.0009 0.0019 2352 HIS 42 HD2 0.0015 -0.0014 0.0020 2353 HIS 42 HE1 0.0022 -0.0019 0.0022 2354 HIS 42 HE2 0.0016 -0.0019 0.0021 2355 VAL 43 N 0.0009 -0.0024 0.0004 2356 VAL 43 CA 0.0001 -0.0025 -0.0000 2357 VAL 43 C -0.0007 -0.0028 -0.0006 2358 VAL 43 O -0.0007 -0.0036 -0.0008 2359 VAL 43 CB 0.0005 -0.0032 -0.0000 2360 VAL 43 CG1 0.0010 -0.0042 -0.0000 2361 VAL 43 CG2 -0.0003 -0.0034 -0.0006 2362 VAL 43 H 0.0011 -0.0030 0.0004 2363 VAL 43 HA -0.0001 -0.0017 0.0001 2364 VAL 43 HB 0.0010 -0.0028 0.0004 2365 VAL 43 HG11 0.0017 -0.0041 0.0004 2366 VAL 43 HG12 0.0012 -0.0048 -0.0001 2367 VAL 43 HG13 0.0006 -0.0046 -0.0004 2368 VAL 43 HG21 -0.0006 -0.0027 -0.0005 2369 VAL 43 HG22 -0.0009 -0.0037 -0.0010 2370 VAL 43 HG23 -0.0000 -0.0040 -0.0006 2371 GLU 44 N -0.0016 -0.0022 -0.0010 2372 GLU 44 CA -0.0025 -0.0024 -0.0015 2373 GLU 44 C -0.0027 -0.0035 -0.0020 2374 GLU 44 O -0.0030 -0.0036 -0.0022 2375 GLU 44 CB -0.0033 -0.0015 -0.0017 2376 GLU 44 CG -0.0032 -0.0004 -0.0014 2377 GLU 44 CD -0.0041 0.0003 -0.0017 2378 GLU 44 OE1 -0.0045 0.0006 -0.0018 2379 GLU 44 OE2 -0.0045 0.0006 -0.0018 2380 GLU 44 H -0.0016 -0.0016 -0.0008 2381 GLU 44 HA -0.0024 -0.0024 -0.0015 2382 GLU 44 HB2 -0.0032 -0.0013 -0.0017 2383 GLU 44 HB3 -0.0039 -0.0017 -0.0022 2384 GLU 44 HG2 -0.0030 -0.0006 -0.0013 2385 GLU 44 HG3 -0.0026 -0.0001 -0.0009 2386 ASP 45 N -0.0028 -0.0042 -0.0022 2387 ASP 45 CA -0.0030 -0.0053 -0.0027 2388 ASP 45 C -0.0041 -0.0053 -0.0033 2389 ASP 45 O -0.0044 -0.0061 -0.0038 2390 ASP 45 CB -0.0025 -0.0060 -0.0026 2391 ASP 45 CG -0.0028 -0.0058 -0.0028 2392 ASP 45 OD1 -0.0026 -0.0050 -0.0024 2393 ASP 45 OD2 -0.0034 -0.0064 -0.0032 2394 ASP 45 H -0.0026 -0.0040 -0.0021 2395 ASP 45 HA -0.0027 -0.0055 -0.0026 2396 ASP 45 HB2 -0.0026 -0.0068 -0.0029 2397 ASP 45 HB3 -0.0017 -0.0060 -0.0022 2398 GLY 46 N -0.0046 -0.0044 -0.0034 2399 GLY 46 CA -0.0056 -0.0043 -0.0040 2400 GLY 46 C -0.0061 -0.0041 -0.0042 2401 GLY 46 O -0.0070 -0.0038 -0.0046 2402 GLY 46 H -0.0043 -0.0038 -0.0030 2403 GLY 46 HA2 -0.0058 -0.0051 -0.0043 2404 GLY 46 HA3 -0.0059 -0.0037 -0.0040 2405 GLY 47 N -0.0056 -0.0042 -0.0039 2406 GLY 47 CA -0.0060 -0.0040 -0.0041 2407 GLY 47 C -0.0053 -0.0038 -0.0036 2408 GLY 47 O -0.0052 -0.0045 -0.0037 2409 GLY 47 H -0.0049 -0.0045 -0.0036 2410 GLY 47 HA2 -0.0063 -0.0047 -0.0045 2411 GLY 47 HA3 -0.0065 -0.0033 -0.0042 2412 PRO 48 N -0.0048 -0.0030 -0.0031 2413 PRO 48 CA -0.0042 -0.0027 -0.0026 2414 PRO 48 C -0.0032 -0.0035 -0.0023 2415 PRO 48 O -0.0033 -0.0045 -0.0026 2416 PRO 48 CB -0.0039 -0.0016 -0.0021 2417 PRO 48 CG -0.0047 -0.0012 -0.0025 2418 PRO 48 CD -0.0049 -0.0022 -0.0029 2419 PRO 48 HA -0.0045 -0.0025 -0.0028 2420 PRO 48 HB2 -0.0032 -0.0018 -0.0018 2421 PRO 48 HB3 -0.0038 -0.0011 -0.0019 2422 PRO 48 HG2 -0.0044 -0.0007 -0.0022 2423 PRO 48 HG3 -0.0053 -0.0008 -0.0027 2424 PRO 48 HD2 -0.0045 -0.0024 -0.0027 2425 PRO 48 HD3 -0.0057 -0.0020 -0.0033 2426 ALA 49 N -0.0024 -0.0023 -0.0019 2427 ALA 49 CA -0.0015 -0.0028 -0.0016 2428 ALA 49 C -0.0013 -0.0038 -0.0019 2429 ALA 49 O -0.0008 -0.0044 -0.0019 2430 ALA 49 CB -0.0008 -0.0022 -0.0010 2431 ALA 49 H -0.0025 -0.0016 -0.0017 2432 ALA 49 HA -0.0014 -0.0029 -0.0016 2433 ALA 49 HB1 -0.0003 -0.0022 -0.0007 2434 ALA 49 HB2 -0.0005 -0.0024 -0.0009 2435 ALA 49 HB3 -0.0011 -0.0014 -0.0009 2436 SER 50 N -0.0016 -0.0038 -0.0021 2437 SER 50 CA -0.0015 -0.0047 -0.0024 2438 SER 50 C -0.0018 -0.0055 -0.0029 2439 SER 50 O -0.0013 -0.0063 -0.0029 2440 SER 50 CB -0.0019 -0.0046 -0.0025 2441 SER 50 OG -0.0013 -0.0043 -0.0021 2442 SER 50 H -0.0020 -0.0033 -0.0021 2443 SER 50 HA -0.0007 -0.0049 -0.0020 2444 SER 50 HB2 -0.0025 -0.0041 -0.0027 2445 SER 50 HB3 -0.0020 -0.0053 -0.0029 2446 SER 50 HG -0.0008 -0.0048 -0.0020 2447 GLU 51 N -0.0026 -0.0053 -0.0033 2448 GLU 51 CA -0.0030 -0.0060 -0.0038 2449 GLU 51 C -0.0026 -0.0062 -0.0036 2450 GLU 51 O -0.0025 -0.0070 -0.0039 2451 GLU 51 CB -0.0040 -0.0057 -0.0042 2452 GLU 51 CG -0.0045 -0.0055 -0.0044 2453 GLU 51 CD -0.0052 -0.0062 -0.0051 2454 GLU 51 OE1 -0.0049 -0.0071 -0.0053 2455 GLU 51 OE2 -0.0060 -0.0059 -0.0054 2456 GLU 51 H -0.0030 -0.0047 -0.0032 2457 GLU 51 HA -0.0029 -0.0067 -0.0040 2458 GLU 51 HB2 -0.0041 -0.0050 -0.0040 2459 GLU 51 HB3 -0.0043 -0.0062 -0.0046 2460 GLU 51 HG2 -0.0041 -0.0057 -0.0042 2461 GLU 51 HG3 -0.0049 -0.0048 -0.0043 2462 ALA 52 N -0.0023 -0.0055 -0.0032 2463 ALA 52 CA -0.0018 -0.0056 -0.0029 2464 ALA 52 C -0.0010 -0.0063 -0.0027 2465 ALA 52 O -0.0007 -0.0068 -0.0028 2466 ALA 52 CB -0.0017 -0.0047 -0.0024 2467 ALA 52 H -0.0024 -0.0049 -0.0030 2468 ALA 52 HA -0.0023 -0.0059 -0.0033 2469 ALA 52 HB1 -0.0014 -0.0043 -0.0021 2470 ALA 52 HB2 -0.0023 -0.0042 -0.0026 2471 ALA 52 HB3 -0.0012 -0.0047 -0.0022 2472 GLY 53 N -0.0006 -0.0064 -0.0025 2473 GLY 53 CA 0.0003 -0.0070 -0.0023 2474 GLY 53 C 0.0010 -0.0066 -0.0017 2475 GLY 53 O 0.0017 -0.0071 -0.0015 2476 GLY 53 H -0.0008 -0.0060 -0.0025 2477 GLY 53 HA2 0.0001 -0.0076 -0.0026 2478 GLY 53 HA3 0.0005 -0.0073 -0.0023 2479 LEU 54 N 0.0008 -0.0057 -0.0014 2480 LEU 54 CA 0.0014 -0.0052 -0.0009 2481 LEU 54 C 0.0016 -0.0054 -0.0009 2482 LEU 54 O 0.0010 -0.0053 -0.0012 2483 LEU 54 CB 0.0011 -0.0041 -0.0006 2484 LEU 54 CG 0.0019 -0.0035 0.0000 2485 LEU 54 CD1 0.0015 -0.0025 0.0003 2486 LEU 54 CD2 0.0026 -0.0037 0.0003 2487 LEU 54 H 0.0002 -0.0053 -0.0016 2488 LEU 54 HA 0.0021 -0.0054 -0.0006 2489 LEU 54 HB2 0.0007 -0.0039 -0.0008 2490 LEU 54 HB3 0.0008 -0.0038 -0.0007 2491 LEU 54 HG 0.0023 -0.0037 0.0002 2492 LEU 54 HD11 0.0012 -0.0023 0.0001 2493 LEU 54 HD12 0.0021 -0.0021 0.0007 2494 LEU 54 HD13 0.0011 -0.0023 0.0001 2495 LEU 54 HD21 0.0031 -0.0034 0.0008 2496 LEU 54 HD22 0.0028 -0.0045 0.0002 2497 LEU 54 HD23 0.0022 -0.0035 0.0002 2498 ARG 55 N 0.0018 -0.0027 0.0017 2499 ARG 55 CA 0.0018 -0.0028 0.0016 2500 ARG 55 C 0.0019 -0.0028 0.0016 2501 ARG 55 O 0.0020 -0.0027 0.0016 2502 ARG 55 CB 0.0020 -0.0029 0.0016 2503 ARG 55 CG 0.0021 -0.0028 0.0015 2504 ARG 55 CD 0.0023 -0.0028 0.0015 2505 ARG 55 NE 0.0023 -0.0030 0.0014 2506 ARG 55 CZ 0.0025 -0.0030 0.0013 2507 ARG 55 NH1 0.0025 -0.0029 0.0013 2508 ARG 55 NH2 0.0025 -0.0032 0.0013 2509 ARG 55 H 0.0019 -0.0026 0.0017 2510 ARG 55 HA 0.0017 -0.0029 0.0016 2511 ARG 55 HB2 0.0020 -0.0030 0.0015 2512 ARG 55 HB3 0.0019 -0.0029 0.0016 2513 ARG 55 HG2 0.0022 -0.0028 0.0015 2514 ARG 55 HG3 0.0021 -0.0026 0.0016 2515 ARG 55 HD2 0.0024 -0.0027 0.0015 2516 ARG 55 HD3 0.0022 -0.0028 0.0015 2517 ARG 55 HE 0.0023 -0.0030 0.0014 2518 ARG 55 HH11 0.0025 -0.0028 0.0014 2519 ARG 55 HH12 0.0026 -0.0029 0.0013 2520 ARG 55 HH21 0.0025 -0.0032 0.0013 2521 ARG 55 HH22 0.0026 -0.0032 0.0012 2522 GLN 56 N 0.0018 -0.0028 0.0016 2523 GLN 56 CA 0.0019 -0.0028 0.0016 2524 GLN 56 C 0.0021 -0.0028 0.0015 2525 GLN 56 O 0.0022 -0.0029 0.0015 2526 GLN 56 CB 0.0018 -0.0029 0.0016 2527 GLN 56 CG 0.0019 -0.0029 0.0016 2528 GLN 56 CD 0.0017 -0.0030 0.0016 2529 GLN 56 OE1 0.0016 -0.0031 0.0016 2530 GLN 56 NE2 0.0018 -0.0031 0.0015 2531 GLN 56 H 0.0017 -0.0029 0.0016 2532 GLN 56 HA 0.0019 -0.0027 0.0016 2533 GLN 56 HB2 0.0017 -0.0029 0.0016 2534 GLN 56 HB3 0.0018 -0.0031 0.0015 2535 GLN 56 HG2 0.0020 -0.0029 0.0015 2536 GLN 56 HG3 0.0018 -0.0028 0.0016 2537 GLN 56 HE21 0.0019 -0.0030 0.0015 2538 GLN 56 HE22 0.0018 -0.0031 0.0015 2539 GLY 57 N 0.0022 -0.0027 0.0015 2540 GLY 57 CA 0.0024 -0.0027 0.0015 2541 GLY 57 C 0.0025 -0.0026 0.0015 2542 GLY 57 O 0.0026 -0.0026 0.0014 2543 GLY 57 H 0.0021 -0.0026 0.0016 2544 GLY 57 HA2 0.0024 -0.0027 0.0015 2545 GLY 57 HA3 0.0024 -0.0029 0.0014 2546 ASP 58 N 0.0024 -0.0025 0.0015 2547 ASP 58 CA 0.0025 -0.0024 0.0015 2548 ASP 58 C 0.0025 -0.0022 0.0016 2549 ASP 58 O 0.0025 -0.0022 0.0016 2550 ASP 58 CB 0.0023 -0.0024 0.0016 2551 ASP 58 CG 0.0024 -0.0024 0.0016 2552 ASP 58 OD1 0.0026 -0.0023 0.0015 2553 ASP 58 OD2 0.0023 -0.0024 0.0016 2554 ASP 58 H 0.0023 -0.0025 0.0016 2555 ASP 58 HA 0.0026 -0.0025 0.0015 2556 ASP 58 HB2 0.0022 -0.0025 0.0016 2557 ASP 58 HB3 0.0023 -0.0023 0.0017 2558 LEU 59 N 0.0027 -0.0021 0.0016 2559 LEU 59 CA 0.0027 -0.0020 0.0016 2560 LEU 59 C 0.0027 -0.0018 0.0017 2561 LEU 59 O 0.0027 -0.0018 0.0017 2562 LEU 59 CB 0.0029 -0.0020 0.0015 2563 LEU 59 CG 0.0030 -0.0018 0.0015 2564 LEU 59 CD1 0.0030 -0.0017 0.0016 2565 LEU 59 CD2 0.0032 -0.0018 0.0015 2566 LEU 59 H 0.0027 -0.0022 0.0015 2567 LEU 59 HA 0.0027 -0.0020 0.0016 2568 LEU 59 HB2 0.0030 -0.0020 0.0015 2569 LEU 59 HB3 0.0030 -0.0020 0.0015 2570 LEU 59 HG 0.0029 -0.0017 0.0016 2571 LEU 59 HD11 0.0029 -0.0017 0.0016 2572 LEU 59 HD12 0.0031 -0.0016 0.0016 2573 LEU 59 HD13 0.0031 -0.0018 0.0015 2574 LEU 59 HD21 0.0032 -0.0019 0.0014 2575 LEU 59 HD22 0.0032 -0.0016 0.0015 2576 LEU 59 HD23 0.0031 -0.0018 0.0015 2577 ILE 60 N 0.0026 -0.0017 0.0017 2578 ILE 60 CA 0.0025 -0.0016 0.0018 2579 ILE 60 C 0.0027 -0.0014 0.0018 2580 ILE 60 O 0.0028 -0.0014 0.0018 2581 ILE 60 CB 0.0024 -0.0015 0.0019 2582 ILE 60 CG1 0.0022 -0.0016 0.0019 2583 ILE 60 CG2 0.0023 -0.0014 0.0019 2584 ILE 60 CD1 0.0023 -0.0018 0.0018 2585 ILE 60 H 0.0026 -0.0017 0.0017 2586 ILE 60 HA 0.0025 -0.0016 0.0018 2587 ILE 60 HB 0.0024 -0.0015 0.0019 2588 ILE 60 HG12 0.0021 -0.0016 0.0019 2589 ILE 60 HG13 0.0022 -0.0017 0.0019 2590 ILE 60 HG21 0.0024 -0.0013 0.0019 2591 ILE 60 HG22 0.0022 -0.0013 0.0020 2592 ILE 60 HG23 0.0023 -0.0014 0.0019 2593 ILE 60 HD11 0.0023 -0.0017 0.0018 2594 ILE 60 HD12 0.0024 -0.0018 0.0018 2595 ILE 60 HD13 0.0022 -0.0018 0.0018 2596 THR 61 N 0.0038 -0.0019 0.0027 2597 THR 61 CA 0.0041 -0.0019 0.0030 2598 THR 61 C 0.0040 -0.0017 0.0029 2599 THR 61 O 0.0042 -0.0014 0.0032 2600 THR 61 CB 0.0044 -0.0025 0.0030 2601 THR 61 OG1 0.0041 -0.0029 0.0026 2602 THR 61 CG2 0.0046 -0.0028 0.0031 2603 THR 61 H 0.0036 -0.0021 0.0024 2604 THR 61 HA 0.0044 -0.0017 0.0033 2605 THR 61 HB 0.0047 -0.0026 0.0032 2606 THR 61 HG1 0.0041 -0.0028 0.0026 2607 THR 61 HG21 0.0043 -0.0028 0.0028 2608 THR 61 HG22 0.0047 -0.0025 0.0033 2609 THR 61 HG23 0.0047 -0.0032 0.0031 2610 HIS 62 N 0.0036 -0.0018 0.0025 2611 HIS 62 CA 0.0034 -0.0016 0.0024 2612 HIS 62 C 0.0029 -0.0014 0.0020 2613 HIS 62 O 0.0027 -0.0015 0.0018 2614 HIS 62 CB 0.0035 -0.0021 0.0023 2615 HIS 62 CG 0.0039 -0.0024 0.0026 2616 HIS 62 ND1 0.0041 -0.0028 0.0026 2617 HIS 62 CD2 0.0042 -0.0022 0.0030 2618 HIS 62 CE1 0.0046 -0.0030 0.0030 2619 HIS 62 NE2 0.0046 -0.0026 0.0032 2620 HIS 62 H 0.0035 -0.0020 0.0023 2621 HIS 62 HA 0.0035 -0.0013 0.0027 2622 HIS 62 HB2 0.0033 -0.0024 0.0020 2623 HIS 62 HB3 0.0033 -0.0019 0.0022 2624 HIS 62 HD2 0.0042 -0.0018 0.0031 2625 HIS 62 HE1 0.0048 -0.0033 0.0031 2626 HIS 62 HE2 0.0049 -0.0026 0.0034 2627 VAL 63 N 0.0027 -0.0010 0.0020 2628 VAL 63 CA 0.0022 -0.0008 0.0016 2629 VAL 63 C 0.0021 -0.0008 0.0015 2630 VAL 63 O 0.0022 -0.0005 0.0017 2631 VAL 63 CB 0.0021 -0.0002 0.0018 2632 VAL 63 CG1 0.0023 0.0002 0.0021 2633 VAL 63 CG2 0.0016 -0.0000 0.0014 2634 VAL 63 H 0.0029 -0.0009 0.0022 2635 VAL 63 HA 0.0021 -0.0011 0.0014 2636 VAL 63 HB 0.0022 -0.0003 0.0019 2637 VAL 63 HG11 0.0027 0.0000 0.0024 2638 VAL 63 HG12 0.0022 0.0006 0.0022 2639 VAL 63 HG13 0.0022 0.0002 0.0020 2640 VAL 63 HG21 0.0015 0.0004 0.0015 2641 VAL 63 HG22 0.0015 -0.0003 0.0011 2642 VAL 63 HG23 0.0015 -0.0000 0.0012 2643 ASN 64 N 0.0018 -0.0011 0.0011 2644 ASN 64 CA 0.0017 -0.0012 0.0009 2645 ASN 64 C 0.0020 -0.0013 0.0012 2646 ASN 64 O 0.0020 -0.0012 0.0012 2647 ASN 64 CB 0.0014 -0.0006 0.0009 2648 ASN 64 CG 0.0009 -0.0006 0.0004 2649 ASN 64 OD1 0.0008 -0.0009 0.0001 2650 ASN 64 ND2 0.0006 -0.0003 0.0003 2651 ASN 64 H 0.0018 -0.0014 0.0010 2652 ASN 64 HA 0.0015 -0.0015 0.0006 2653 ASN 64 HB2 0.0014 -0.0003 0.0010 2654 ASN 64 HB3 0.0014 -0.0005 0.0010 2655 ASN 64 HD21 0.0008 -0.0001 0.0005 2656 ASN 64 HD22 0.0003 -0.0003 0.0000 2657 GLY 65 N 0.0024 -0.0017 0.0014 2658 GLY 65 CA 0.0027 -0.0018 0.0017 2659 GLY 65 C 0.0029 -0.0014 0.0021 2660 GLY 65 O 0.0030 -0.0012 0.0022 2661 GLY 65 H 0.0024 -0.0018 0.0014 2662 GLY 65 HA2 0.0030 -0.0022 0.0018 2663 GLY 65 HA3 0.0026 -0.0019 0.0015 2664 GLU 66 N 0.0030 -0.0011 0.0023 2665 GLU 66 CA 0.0032 -0.0006 0.0026 2666 GLU 66 C 0.0034 -0.0006 0.0029 2667 GLU 66 O 0.0032 -0.0005 0.0027 2668 GLU 66 CB 0.0028 -0.0001 0.0025 2669 GLU 66 CG 0.0030 0.0004 0.0028 2670 GLU 66 CD 0.0032 0.0002 0.0029 2671 GLU 66 OE1 0.0030 0.0001 0.0027 2672 GLU 66 OE2 0.0036 0.0001 0.0033 2673 GLU 66 H 0.0029 -0.0012 0.0021 2674 GLU 66 HA 0.0034 -0.0007 0.0028 2675 GLU 66 HB2 0.0026 -0.0002 0.0022 2676 GLU 66 HB3 0.0027 0.0001 0.0025 2677 GLU 66 HG2 0.0027 0.0007 0.0027 2678 GLU 66 HG3 0.0032 0.0005 0.0031 2679 PRO 67 N 0.0040 0.0005 0.0023 2680 PRO 67 CA 0.0042 0.0004 0.0023 2681 PRO 67 C 0.0041 0.0006 0.0024 2682 PRO 67 O 0.0041 0.0008 0.0025 2683 PRO 67 CB 0.0045 0.0004 0.0024 2684 PRO 67 CG 0.0044 0.0006 0.0025 2685 PRO 67 CD 0.0042 0.0005 0.0024 2686 PRO 67 HA 0.0042 0.0002 0.0022 2687 PRO 67 HB2 0.0046 0.0006 0.0025 2688 PRO 67 HB3 0.0046 0.0002 0.0024 2689 PRO 67 HG2 0.0044 0.0008 0.0025 2690 PRO 67 HG3 0.0046 0.0005 0.0025 2691 PRO 67 HD2 0.0041 0.0007 0.0024 2692 PRO 67 HD3 0.0042 0.0003 0.0023 2693 VAL 68 N 0.0041 0.0004 0.0023 2694 VAL 68 CA 0.0040 0.0006 0.0023 2695 VAL 68 C 0.0043 0.0006 0.0024 2696 VAL 68 O 0.0043 0.0008 0.0025 2697 VAL 68 CB 0.0038 0.0004 0.0022 2698 VAL 68 CG1 0.0035 0.0003 0.0021 2699 VAL 68 CG2 0.0040 0.0001 0.0022 2700 VAL 68 H 0.0041 0.0002 0.0022 2701 VAL 68 HA 0.0039 0.0007 0.0024 2702 VAL 68 HB 0.0038 0.0005 0.0022 2703 VAL 68 HG11 0.0036 0.0002 0.0021 2704 VAL 68 HG12 0.0034 0.0005 0.0022 2705 VAL 68 HG13 0.0034 0.0002 0.0020 2706 VAL 68 HG21 0.0042 0.0002 0.0022 2707 VAL 68 HG22 0.0040 -0.0000 0.0021 2708 VAL 68 HG23 0.0039 -0.0000 0.0021 2709 HIS 69 N 0.0045 0.0005 0.0024 2710 HIS 69 CA 0.0048 0.0005 0.0025 2711 HIS 69 C 0.0048 0.0008 0.0027 2712 HIS 69 O 0.0049 0.0009 0.0027 2713 HIS 69 CB 0.0050 0.0004 0.0025 2714 HIS 69 CG 0.0050 0.0000 0.0024 2715 HIS 69 ND1 0.0052 -0.0001 0.0024 2716 HIS 69 CD2 0.0048 -0.0001 0.0023 2717 HIS 69 CE1 0.0052 -0.0004 0.0023 2718 HIS 69 NE2 0.0049 -0.0004 0.0022 2719 HIS 69 H 0.0045 0.0004 0.0024 2720 HIS 69 HA 0.0048 0.0004 0.0025 2721 HIS 69 HB2 0.0049 0.0004 0.0025 2722 HIS 69 HB3 0.0052 0.0004 0.0026 2723 HIS 69 HD2 0.0046 -0.0000 0.0023 2724 HIS 69 HE1 0.0053 -0.0006 0.0022 2725 HIS 69 HE2 0.0048 -0.0005 0.0021 2726 GLY 70 N 0.0048 0.0009 0.0027 2727 GLY 70 CA 0.0049 0.0012 0.0028 2728 GLY 70 C 0.0046 0.0014 0.0028 2729 GLY 70 O 0.0046 0.0016 0.0029 2730 GLY 70 H 0.0047 0.0008 0.0026 2731 GLY 70 HA2 0.0050 0.0012 0.0029 2732 GLY 70 HA3 0.0050 0.0013 0.0029 2733 LEU 71 N 0.0043 0.0013 0.0027 2734 LEU 71 CA 0.0041 0.0015 0.0027 2735 LEU 71 C 0.0040 0.0015 0.0027 2736 LEU 71 O 0.0041 0.0013 0.0026 2737 LEU 71 CB 0.0038 0.0013 0.0026 2738 LEU 71 CG 0.0038 0.0013 0.0026 2739 LEU 71 CD1 0.0035 0.0012 0.0025 2740 LEU 71 CD2 0.0039 0.0016 0.0027 2741 LEU 71 H 0.0043 0.0011 0.0026 2742 LEU 71 HA 0.0041 0.0017 0.0028 2743 LEU 71 HB2 0.0038 0.0011 0.0025 2744 LEU 71 HB3 0.0036 0.0014 0.0026 2745 LEU 71 HG 0.0040 0.0012 0.0026 2746 LEU 71 HD11 0.0036 0.0012 0.0024 2747 LEU 71 HD12 0.0034 0.0014 0.0025 2748 LEU 71 HD13 0.0035 0.0011 0.0024 2749 LEU 71 HD21 0.0037 0.0017 0.0027 2750 LEU 71 HD22 0.0039 0.0016 0.0027 2751 LEU 71 HD23 0.0041 0.0016 0.0028 2752 VAL 72 N 0.0039 0.0017 0.0027 2753 VAL 72 CA 0.0038 0.0018 0.0027 2754 VAL 72 C 0.0035 0.0016 0.0026 2755 VAL 72 O 0.0034 0.0015 0.0025 2756 VAL 72 CB 0.0037 0.0021 0.0029 2757 VAL 72 CG1 0.0034 0.0022 0.0028 2758 VAL 72 CG2 0.0038 0.0021 0.0029 2759 VAL 72 H 0.0038 0.0019 0.0028 2760 VAL 72 HA 0.0040 0.0017 0.0028 2761 VAL 72 HB 0.0039 0.0022 0.0029 2762 VAL 72 HG11 0.0033 0.0021 0.0028 2763 VAL 72 HG12 0.0033 0.0021 0.0028 2764 VAL 72 HG13 0.0034 0.0024 0.0029 2765 VAL 72 HG21 0.0038 0.0023 0.0030 2766 VAL 72 HG22 0.0040 0.0020 0.0029 2767 VAL 72 HG23 0.0037 0.0021 0.0028 2768 HIS 73 N 0.0038 0.0026 0.0018 2769 HIS 73 CA 0.0033 0.0023 0.0017 2770 HIS 73 C 0.0028 0.0025 0.0017 2771 HIS 73 O 0.0025 0.0022 0.0016 2772 HIS 73 CB 0.0033 0.0023 0.0017 2773 HIS 73 CG 0.0029 0.0020 0.0016 2774 HIS 73 ND1 0.0029 0.0014 0.0015 2775 HIS 73 CD2 0.0024 0.0021 0.0016 2776 HIS 73 CE1 0.0025 0.0013 0.0015 2777 HIS 73 NE2 0.0021 0.0017 0.0015 2778 HIS 73 H 0.0041 0.0027 0.0019 2779 HIS 73 HA 0.0034 0.0019 0.0017 2780 HIS 73 HB2 0.0037 0.0022 0.0017 2781 HIS 73 HB3 0.0033 0.0027 0.0018 2782 HIS 73 HD1 0.0033 0.0012 0.0015 2783 HIS 73 HD2 0.0022 0.0025 0.0017 2784 HIS 73 HE1 0.0024 0.0009 0.0014 2785 THR 74 N 0.0027 0.0030 0.0018 2786 THR 74 CA 0.0022 0.0032 0.0018 2787 THR 74 C 0.0021 0.0033 0.0018 2788 THR 74 O 0.0017 0.0034 0.0018 2789 THR 74 CB 0.0021 0.0038 0.0019 2790 THR 74 OG1 0.0025 0.0041 0.0020 2791 THR 74 CG2 0.0023 0.0037 0.0019 2792 THR 74 H 0.0030 0.0032 0.0019 2793 THR 74 HA 0.0019 0.0030 0.0018 2794 THR 74 HB 0.0017 0.0039 0.0019 2795 THR 74 HG1 0.0025 0.0045 0.0021 2796 THR 74 HG21 0.0020 0.0035 0.0019 2797 THR 74 HG22 0.0024 0.0040 0.0020 2798 THR 74 HG23 0.0027 0.0034 0.0019 2799 GLU 75 N 0.0025 0.0033 0.0019 2800 GLU 75 CA 0.0025 0.0034 0.0019 2801 GLU 75 C 0.0023 0.0029 0.0018 2802 GLU 75 O 0.0019 0.0030 0.0018 2803 GLU 75 CB 0.0031 0.0035 0.0019 2804 GLU 75 CG 0.0032 0.0041 0.0021 2805 GLU 75 CD 0.0037 0.0042 0.0021 2806 GLU 75 OE1 0.0041 0.0041 0.0021 2807 GLU 75 OE2 0.0037 0.0044 0.0022 2808 GLU 75 H 0.0029 0.0033 0.0019 2809 GLU 75 HA 0.0022 0.0037 0.0019 2810 GLU 75 HB2 0.0034 0.0033 0.0019 2811 GLU 75 HB3 0.0031 0.0034 0.0019 2812 GLU 75 HG2 0.0029 0.0043 0.0021 2813 GLU 75 HG3 0.0032 0.0042 0.0021 2814 VAL 76 N 0.0024 0.0024 0.0017 2815 VAL 76 CA 0.0022 0.0020 0.0016 2816 VAL 76 C 0.0016 0.0019 0.0015 2817 VAL 76 O 0.0013 0.0018 0.0015 2818 VAL 76 CB 0.0025 0.0015 0.0015 2819 VAL 76 CG1 0.0031 0.0014 0.0015 2820 VAL 76 CG2 0.0025 0.0014 0.0015 2821 VAL 76 H 0.0027 0.0024 0.0017 2822 VAL 76 HA 0.0023 0.0020 0.0016 2823 VAL 76 HB 0.0023 0.0011 0.0014 2824 VAL 76 HG11 0.0033 0.0018 0.0016 2825 VAL 76 HG12 0.0030 0.0014 0.0015 2826 VAL 76 HG13 0.0033 0.0011 0.0015 2827 VAL 76 HG21 0.0025 0.0018 0.0016 2828 VAL 76 HG22 0.0029 0.0013 0.0015 2829 VAL 76 HG23 0.0022 0.0011 0.0014 2830 VAL 77 N 0.0015 0.0020 0.0015 2831 VAL 77 CA 0.0010 0.0020 0.0015 2832 VAL 77 C 0.0006 0.0024 0.0016 2833 VAL 77 O 0.0002 0.0023 0.0015 2834 VAL 77 CB 0.0009 0.0022 0.0015 2835 VAL 77 CG1 0.0004 0.0021 0.0015 2836 VAL 77 CG2 0.0013 0.0018 0.0015 2837 VAL 77 H 0.0018 0.0021 0.0016 2838 VAL 77 HA 0.0008 0.0016 0.0014 2839 VAL 77 HB 0.0011 0.0026 0.0016 2840 VAL 77 HG11 0.0003 0.0024 0.0015 2841 VAL 77 HG12 0.0003 0.0017 0.0014 2842 VAL 77 HG13 0.0001 0.0023 0.0015 2843 VAL 77 HG21 0.0017 0.0019 0.0015 2844 VAL 77 HG22 0.0012 0.0014 0.0014 2845 VAL 77 HG23 0.0012 0.0019 0.0015 2846 GLU 78 N 0.0008 0.0029 0.0017 2847 GLU 78 CA 0.0005 0.0033 0.0017 2848 GLU 78 C 0.0005 0.0031 0.0017 2849 GLU 78 O 0.0000 0.0032 0.0017 2850 GLU 78 CB 0.0008 0.0038 0.0018 2851 GLU 78 CG 0.0007 0.0041 0.0019 2852 GLU 78 CD 0.0009 0.0047 0.0020 2853 GLU 78 OE1 0.0005 0.0050 0.0021 2854 GLU 78 OE2 0.0013 0.0048 0.0021 2855 GLU 78 H 0.0012 0.0029 0.0017 2856 GLU 78 HA 0.0002 0.0033 0.0017 2857 GLU 78 HB2 0.0013 0.0037 0.0019 2858 GLU 78 HB3 0.0007 0.0040 0.0019 2859 GLU 78 HG2 0.0003 0.0041 0.0019 2860 GLU 78 HG3 0.0010 0.0040 0.0019 2861 LEU 79 N 0.0008 0.0035 0.0021 2862 LEU 79 CA 0.0008 0.0030 0.0020 2863 LEU 79 C 0.0003 0.0026 0.0016 2864 LEU 79 O -0.0000 0.0024 0.0014 2865 LEU 79 CB 0.0015 0.0026 0.0021 2866 LEU 79 CG 0.0020 0.0026 0.0023 2867 LEU 79 CD1 0.0015 0.0025 0.0021 2868 LEU 79 CD2 0.0023 0.0033 0.0026 2869 LEU 79 H 0.0012 0.0035 0.0023 2870 LEU 79 HA 0.0008 0.0034 0.0021 2871 LEU 79 HB2 0.0018 0.0028 0.0023 2872 LEU 79 HB3 0.0015 0.0020 0.0019 2873 LEU 79 HG 0.0024 0.0022 0.0023 2874 LEU 79 HD11 0.0012 0.0029 0.0021 2875 LEU 79 HD12 0.0013 0.0020 0.0018 2876 LEU 79 HD13 0.0019 0.0024 0.0022 2877 LEU 79 HD21 0.0026 0.0034 0.0028 2878 LEU 79 HD22 0.0018 0.0037 0.0026 2879 LEU 79 HD23 0.0026 0.0033 0.0028 2880 ILE 80 N 0.0001 0.0023 0.0015 2881 ILE 80 CA -0.0004 0.0018 0.0011 2882 ILE 80 C -0.0011 0.0022 0.0009 2883 ILE 80 O -0.0015 0.0020 0.0007 2884 ILE 80 CB -0.0003 0.0015 0.0010 2885 ILE 80 CG1 0.0003 0.0010 0.0011 2886 ILE 80 CG2 -0.0010 0.0012 0.0007 2887 ILE 80 CD1 0.0006 0.0009 0.0012 2888 ILE 80 H 0.0004 0.0024 0.0016 2889 ILE 80 HA -0.0003 0.0014 0.0010 2890 ILE 80 HB -0.0003 0.0019 0.0012 2891 ILE 80 HG12 0.0002 0.0005 0.0009 2892 ILE 80 HG13 0.0007 0.0011 0.0013 2893 ILE 80 HG21 -0.0014 0.0016 0.0006 2894 ILE 80 HG22 -0.0009 0.0008 0.0006 2895 ILE 80 HG23 -0.0011 0.0009 0.0005 2896 ILE 80 HD11 0.0011 0.0005 0.0013 2897 ILE 80 HD12 0.0003 0.0007 0.0010 2898 ILE 80 HD13 0.0008 0.0014 0.0014 2899 LEU 81 N -0.0013 0.0028 0.0011 2900 LEU 81 CA -0.0019 0.0033 0.0009 2901 LEU 81 C -0.0020 0.0035 0.0010 2902 LEU 81 O -0.0026 0.0035 0.0007 2903 LEU 81 CB -0.0020 0.0039 0.0011 2904 LEU 81 CG -0.0018 0.0037 0.0011 2905 LEU 81 CD1 -0.0018 0.0044 0.0013 2906 LEU 81 CD2 -0.0023 0.0033 0.0008 2907 LEU 81 H -0.0009 0.0030 0.0012 2908 LEU 81 HA -0.0023 0.0029 0.0007 2909 LEU 81 HB2 -0.0016 0.0043 0.0014 2910 LEU 81 HB3 -0.0025 0.0042 0.0010 2911 LEU 81 HG -0.0013 0.0035 0.0012 2912 LEU 81 HD11 -0.0014 0.0047 0.0016 2913 LEU 81 HD12 -0.0017 0.0043 0.0013 2914 LEU 81 HD13 -0.0023 0.0047 0.0012 2915 LEU 81 HD21 -0.0028 0.0035 0.0006 2916 LEU 81 HD22 -0.0023 0.0032 0.0008 2917 LEU 81 HD23 -0.0022 0.0027 0.0007 2918 LYS 82 N -0.0015 0.0037 0.0012 2919 LYS 82 CA -0.0015 0.0039 0.0013 2920 LYS 82 C -0.0018 0.0034 0.0010 2921 LYS 82 O -0.0021 0.0035 0.0009 2922 LYS 82 CB -0.0008 0.0040 0.0016 2923 LYS 82 CG -0.0007 0.0045 0.0018 2924 LYS 82 CD 0.0000 0.0044 0.0021 2925 LYS 82 CE 0.0005 0.0047 0.0023 2926 LYS 82 NZ 0.0011 0.0049 0.0027 2927 LYS 82 H -0.0010 0.0036 0.0014 2928 LYS 82 HA -0.0018 0.0044 0.0013 2929 LYS 82 HB2 -0.0005 0.0042 0.0018 2930 LYS 82 HB3 -0.0005 0.0035 0.0016 2931 LYS 82 HG2 -0.0011 0.0043 0.0016 2932 LYS 82 HG3 -0.0009 0.0050 0.0019 2933 LYS 82 HD2 0.0002 0.0039 0.0019 2934 LYS 82 HD3 0.0000 0.0047 0.0022 2935 LYS 82 HE2 0.0003 0.0051 0.0024 2936 LYS 82 HE3 0.0007 0.0042 0.0023 2937 LYS 82 HZ1 0.0010 0.0053 0.0028 2938 LYS 82 HZ2 0.0013 0.0045 0.0026 2939 LYS 82 HZ3 0.0015 0.0049 0.0028 2940 SER 83 N -0.0015 0.0027 0.0009 2941 SER 83 CA -0.0017 0.0021 0.0006 2942 SER 83 C -0.0025 0.0021 0.0003 2943 SER 83 O -0.0028 0.0020 0.0002 2944 SER 83 CB -0.0014 0.0014 0.0006 2945 SER 83 OG -0.0016 0.0008 0.0003 2946 SER 83 H -0.0012 0.0026 0.0010 2947 SER 83 HA -0.0015 0.0022 0.0007 2948 SER 83 HB2 -0.0009 0.0014 0.0008 2949 SER 83 HB3 -0.0016 0.0013 0.0005 2950 SER 83 HG -0.0018 0.0005 0.0001 2951 GLY 84 N -0.0029 0.0023 0.0003 2952 GLY 84 CA -0.0036 0.0024 -0.0000 2953 GLY 84 C -0.0039 0.0020 -0.0003 2954 GLY 84 O -0.0038 0.0021 -0.0002 2955 GLY 84 H -0.0026 0.0025 0.0004 2956 GLY 84 HA2 -0.0038 0.0029 0.0001 2957 GLY 84 HA3 -0.0038 0.0022 -0.0002 2958 ASN 85 N -0.0044 0.0020 -0.0010 2959 ASN 85 CA -0.0048 0.0017 -0.0015 2960 ASN 85 C -0.0043 0.0009 -0.0016 2961 ASN 85 O -0.0046 0.0004 -0.0020 2962 ASN 85 CB -0.0056 0.0015 -0.0020 2963 ASN 85 CG -0.0054 0.0010 -0.0022 2964 ASN 85 OD1 -0.0053 0.0003 -0.0025 2965 ASN 85 ND2 -0.0054 0.0014 -0.0020 2966 ASN 85 H -0.0043 0.0019 -0.0011 2967 ASN 85 HA -0.0050 0.0021 -0.0014 2968 ASN 85 HB2 -0.0059 0.0012 -0.0024 2969 ASN 85 HB3 -0.0059 0.0021 -0.0019 2970 ASN 85 HD21 -0.0056 0.0020 -0.0018 2971 ASN 85 HD22 -0.0054 0.0011 -0.0021 2972 LYS 86 N -0.0036 0.0007 -0.0013 2973 LYS 86 CA -0.0030 -0.0000 -0.0013 2974 LYS 86 C -0.0022 0.0001 -0.0008 2975 LYS 86 O -0.0021 0.0007 -0.0004 2976 LYS 86 CB -0.0031 -0.0008 -0.0017 2977 LYS 86 CG -0.0031 -0.0007 -0.0017 2978 LYS 86 CD -0.0028 -0.0015 -0.0019 2979 LYS 86 CE -0.0028 -0.0014 -0.0019 2980 LYS 86 NZ -0.0022 -0.0010 -0.0013 2981 LYS 86 H -0.0034 0.0011 -0.0009 2982 LYS 86 HA -0.0031 -0.0001 -0.0014 2983 LYS 86 HB2 -0.0027 -0.0013 -0.0017 2984 LYS 86 HB3 -0.0037 -0.0009 -0.0021 2985 LYS 86 HG2 -0.0036 -0.0003 -0.0018 2986 LYS 86 HG3 -0.0026 -0.0003 -0.0012 2987 LYS 86 HD2 -0.0022 -0.0018 -0.0017 2988 LYS 86 HD3 -0.0032 -0.0018 -0.0024 2989 LYS 86 HE2 -0.0028 -0.0020 -0.0022 2990 LYS 86 HE3 -0.0034 -0.0010 -0.0020 2991 LYS 86 HZ1 -0.0017 -0.0013 -0.0011 2992 LYS 86 HZ2 -0.0023 -0.0004 -0.0011 2993 LYS 86 HZ3 -0.0021 -0.0011 -0.0013 2994 VAL 87 N -0.0016 -0.0005 -0.0007 2995 VAL 87 CA -0.0008 -0.0005 -0.0002 2996 VAL 87 C -0.0003 -0.0013 -0.0003 2997 VAL 87 O -0.0004 -0.0018 -0.0007 2998 VAL 87 CB -0.0006 0.0001 0.0002 2999 VAL 87 CG1 -0.0007 -0.0001 0.0001 3000 VAL 87 CG2 0.0002 0.0003 0.0008 3001 VAL 87 H -0.0018 -0.0010 -0.0011 3002 VAL 87 HA -0.0007 -0.0003 -0.0001 3003 VAL 87 HB -0.0011 0.0007 0.0002 3004 VAL 87 HG11 -0.0013 -0.0001 -0.0003 3005 VAL 87 HG12 -0.0006 0.0004 0.0004 3006 VAL 87 HG13 -0.0003 -0.0007 0.0000 3007 VAL 87 HG21 0.0006 -0.0003 0.0008 3008 VAL 87 HG22 0.0003 0.0007 0.0011 3009 VAL 87 HG23 0.0001 0.0006 0.0009 3010 ALA 88 N 0.0004 -0.0015 0.0000 3011 ALA 88 CA 0.0010 -0.0022 -0.0000 3012 ALA 88 C 0.0016 -0.0021 0.0004 3013 ALA 88 O 0.0022 -0.0019 0.0009 3014 ALA 88 CB 0.0014 -0.0025 0.0001 3015 ALA 88 H 0.0005 -0.0011 0.0003 3016 ALA 88 HA 0.0007 -0.0027 -0.0004 3017 ALA 88 HB1 0.0010 -0.0026 -0.0002 3018 ALA 88 HB2 0.0019 -0.0031 0.0001 3019 ALA 88 HB3 0.0017 -0.0021 0.0005 3020 ILE 89 N 0.0015 -0.0023 0.0002 3021 ILE 89 CA 0.0020 -0.0023 0.0006 3022 ILE 89 C 0.0027 -0.0030 0.0006 3023 ILE 89 O 0.0026 -0.0037 0.0002 3024 ILE 89 CB 0.0016 -0.0021 0.0004 3025 ILE 89 CG1 0.0022 -0.0020 0.0008 3026 ILE 89 CG2 0.0011 -0.0027 -0.0002 3027 ILE 89 CD1 0.0018 -0.0016 0.0008 3028 ILE 89 H 0.0010 -0.0026 -0.0002 3029 ILE 89 HA 0.0023 -0.0017 0.0010 3030 ILE 89 HB 0.0012 -0.0015 0.0005 3031 ILE 89 HG12 0.0025 -0.0026 0.0007 3032 ILE 89 HG13 0.0027 -0.0017 0.0012 3033 ILE 89 HG21 0.0007 -0.0026 -0.0004 3034 ILE 89 HG22 0.0009 -0.0025 -0.0003 3035 ILE 89 HG23 0.0015 -0.0033 -0.0003 3036 ILE 89 HD11 0.0022 -0.0017 0.0010 3037 ILE 89 HD12 0.0013 -0.0017 0.0004 3038 ILE 89 HD13 0.0017 -0.0009 0.0011 3039 SER 90 N 0.0034 -0.0029 0.0011 3040 SER 90 CA 0.0041 -0.0036 0.0011 3041 SER 90 C 0.0045 -0.0037 0.0013 3042 SER 90 O 0.0049 -0.0032 0.0018 3043 SER 90 CB 0.0047 -0.0035 0.0015 3044 SER 90 OG 0.0050 -0.0043 0.0013 3045 SER 90 H 0.0035 -0.0024 0.0014 3046 SER 90 HA 0.0039 -0.0042 0.0007 3047 SER 90 HB2 0.0044 -0.0031 0.0015 3048 SER 90 HB3 0.0051 -0.0033 0.0019 3049 SER 90 HG 0.0048 -0.0047 0.0010 3050 THR 91 N 0.0071 -0.0058 0.0023 3051 THR 91 CA 0.0041 -0.0039 0.0021 3052 THR 91 C 0.0028 -0.0023 0.0018 3053 THR 91 O 0.0046 -0.0023 0.0016 3054 THR 91 CB 0.0046 -0.0013 0.0012 3055 THR 91 OG1 0.0070 0.0009 0.0002 3056 THR 91 CG2 0.0057 -0.0029 0.0016 3057 THR 91 H 0.0092 -0.0047 0.0016 3058 THR 91 HA 0.0022 -0.0055 0.0029 3059 THR 91 HB 0.0022 -0.0000 0.0012 3060 THR 91 HG1 0.0061 0.0030 -0.0004 3061 THR 91 HG21 0.0080 -0.0042 0.0017 3062 THR 91 HG22 0.0038 -0.0045 0.0024 3063 THR 91 HG23 0.0060 -0.0011 0.0009 3064 THR 92 N -0.0003 -0.0009 0.0018 3065 THR 92 CA -0.0017 0.0005 0.0016 3066 THR 92 C -0.0015 0.0042 0.0004 3067 THR 92 O -0.0033 0.0059 0.0001 3068 THR 92 CB -0.0054 -0.0005 0.0025 3069 THR 92 OG1 -0.0068 0.0010 0.0022 3070 THR 92 CG2 -0.0076 0.0005 0.0025 3071 THR 92 H -0.0015 -0.0008 0.0020 3072 THR 92 HA -0.0003 -0.0005 0.0017 3073 THR 92 HB -0.0054 -0.0031 0.0033 3074 THR 92 HG1 -0.0081 0.0029 0.0018 3075 THR 92 HG21 -0.0077 0.0031 0.0017 3076 THR 92 HG22 -0.0064 -0.0006 0.0026 3077 THR 92 HG23 -0.0100 -0.0004 0.0031 3078 PRO 93 N 0.0007 0.0054 -0.0003 3079 PRO 93 CA 0.0009 0.0089 -0.0015 3080 PRO 93 C -0.0024 0.0107 -0.0016 3081 PRO 93 O -0.0049 0.0092 -0.0007 3082 PRO 93 CB 0.0034 0.0092 -0.0019 3083 PRO 93 CG 0.0054 0.0062 -0.0013 3084 PRO 93 CD 0.0032 0.0036 -0.0001 3085 PRO 93 HA 0.0020 0.0100 -0.0020 3086 PRO 93 HB2 0.0020 0.0094 -0.0018 3087 PRO 93 HB3 0.0048 0.0113 -0.0028 3088 PRO 93 HG2 0.0063 0.0056 -0.0012 3089 PRO 93 HG3 0.0075 0.0064 -0.0017 3090 PRO 93 HD2 0.0021 0.0024 0.0004 3091 PRO 93 HD3 0.0046 0.0019 0.0002 3092 LEU 94 N -0.0023 0.0138 -0.0026 3093 LEU 94 CA -0.0053 0.0159 -0.0028 3094 LEU 94 C -0.0065 0.0153 -0.0024 3095 LEU 94 O -0.0046 0.0138 -0.0022 3096 LEU 94 CB -0.0046 0.0194 -0.0040 3097 LEU 94 CG -0.0011 0.0202 -0.0048 3098 LEU 94 CD1 0.0013 0.0200 -0.0051 3099 LEU 94 CD2 -0.0011 0.0235 -0.0058 3100 LEU 94 H -0.0002 0.0149 -0.0032 3101 LEU 94 HA -0.0073 0.0152 -0.0023 3102 LEU 94 HB2 -0.0051 0.0206 -0.0043 3103 LEU 94 HB3 -0.0063 0.0204 -0.0041 3104 LEU 94 HG -0.0002 0.0184 -0.0043 3105 LEU 94 HD11 0.0022 0.0175 -0.0044 3106 LEU 94 HD12 0.0034 0.0215 -0.0059 3107 LEU 94 HD13 -0.0001 0.0208 -0.0051 3108 LEU 94 HD21 -0.0028 0.0235 -0.0056 3109 LEU 94 HD22 -0.0018 0.0253 -0.0063 3110 LEU 94 HD23 0.0014 0.0239 -0.0063 3111 GLU 95 N -0.0095 0.0166 -0.0024 3112 GLU 95 CA -0.0109 0.0163 -0.0021 3113 GLU 95 C -0.0135 0.0190 -0.0025 3114 GLU 95 O -0.0147 0.0205 -0.0029 3115 GLU 95 CB -0.0124 0.0130 -0.0008 3116 GLU 95 CG -0.0156 0.0125 -0.0002 3117 GLU 95 CD -0.0150 0.0120 -0.0001 3118 GLU 95 OE1 -0.0138 0.0094 0.0006 3119 GLU 95 OE2 -0.0157 0.0143 -0.0007 3120 GLU 95 H -0.0108 0.0177 -0.0025 3121 GLU 95 HA -0.0089 0.0165 -0.0024 3122 GLU 95 HB2 -0.0130 0.0126 -0.0006 3123 GLU 95 HB3 -0.0106 0.0111 -0.0005 3124 GLU 95 HG2 -0.0172 0.0146 -0.0006 3125 GLU 95 HG3 -0.0168 0.0105 0.0007 3126 ASN 96 N -0.0143 0.0195 -0.0026 3127 ASN 96 CA -0.0168 0.0221 -0.0030 3128 ASN 96 C -0.0203 0.0211 -0.0022 3129 ASN 96 O -0.0208 0.0181 -0.0012 3130 ASN 96 CB -0.0165 0.0229 -0.0034 3131 ASN 96 CG -0.0175 0.0202 -0.0024 3132 ASN 96 OD1 -0.0203 0.0201 -0.0019 3133 ASN 96 ND2 -0.0151 0.0181 -0.0020 3134 ASN 96 OXT -0.0226 0.0232 -0.0025 3135 ASN 96 H -0.0133 0.0182 -0.0023 3136 ASN 96 HA -0.0163 0.0242 -0.0038 3137 ASN 96 HB2 -0.0181 0.0250 -0.0038 3138 ASN 96 HB3 -0.0139 0.0235 -0.0039 3139 ASN 96 HD21 -0.0128 0.0184 -0.0025 3140 ASN 96 HD22 -0.0156 0.0163 -0.0014 3141 SER 101 N -0.0038 0.0041 0.0038 3142 SER 101 CA -0.0031 0.0036 0.0032 3143 SER 101 C -0.0021 0.0031 0.0025 3144 SER 101 O -0.0023 0.0028 0.0015 3145 SER 101 CB -0.0039 0.0036 0.0023 3146 SER 101 OG -0.0049 0.0041 0.0028 3147 SER 101 H1 -0.0032 0.0041 0.0045 3148 SER 101 H2 -0.0044 0.0044 0.0042 3149 SER 101 H3 -0.0041 0.0040 0.0032 3150 SER 101 HA -0.0027 0.0037 0.0038 3151 SER 101 HB2 -0.0042 0.0034 0.0015 3152 SER 101 HB3 -0.0035 0.0033 0.0019 3153 SER 101 HG -0.0050 0.0041 0.0027 3154 TRP 102 N -0.0011 0.0029 0.0032 3155 TRP 102 CA -0.0001 0.0025 0.0027 3156 TRP 102 C 0.0010 0.0022 0.0030 3157 TRP 102 O 0.0013 0.0024 0.0041 3158 TRP 102 CB -0.0000 0.0026 0.0031 3159 TRP 102 CG 0.0011 0.0021 0.0029 3160 TRP 102 CD1 0.0016 0.0016 0.0018 3161 TRP 102 CD2 0.0020 0.0021 0.0038 3162 TRP 102 NE1 0.0026 0.0013 0.0020 3163 TRP 102 CE2 0.0029 0.0016 0.0032 3164 TRP 102 CE3 0.0021 0.0025 0.0050 3165 TRP 102 CZ2 0.0040 0.0015 0.0037 3166 TRP 102 CZ3 0.0031 0.0024 0.0056 3167 TRP 102 CH2 0.0040 0.0018 0.0049 3168 TRP 102 H -0.0010 0.0032 0.0040 3169 TRP 102 HA -0.0003 0.0022 0.0017 3170 TRP 102 HB2 -0.0007 0.0026 0.0027 3171 TRP 102 HB3 -0.0001 0.0029 0.0041 3172 TRP 102 HD1 0.0011 0.0015 0.0010 3173 TRP 102 HE1 0.0031 0.0009 0.0014 3174 TRP 102 HE3 0.0014 0.0029 0.0055 3175 TRP 102 HZ2 0.0047 0.0011 0.0033 3176 TRP 102 HZ3 0.0032 0.0027 0.0065 3177 TRP 102 HH2 0.0048 0.0018 0.0054 3178 GLU 103 N 0.0016 0.0017 0.0022 3179 GLU 103 CA 0.0027 0.0014 0.0024 3180 GLU 103 C 0.0037 0.0012 0.0028 3181 GLU 103 O 0.0040 0.0015 0.0039 3182 GLU 103 CB 0.0030 0.0009 0.0013 3183 GLU 103 CG 0.0023 0.0011 0.0010 3184 GLU 103 CD 0.0011 0.0012 0.0003 3185 GLU 103 OE1 0.0010 0.0009 -0.0007 3186 GLU 103 OE2 0.0002 0.0017 0.0008 3187 GLU 103 H 0.0013 0.0015 0.0014 3188 GLU 103 HA 0.0026 0.0017 0.0031 3189 GLU 103 HB2 0.0029 0.0007 0.0005 3190 GLU 103 HB3 0.0039 0.0007 0.0014 3191 GLU 103 HG2 0.0027 0.0007 0.0004 3192 GLU 103 HG3 0.0021 0.0014 0.0017 3193 SER 104 N 0.0043 0.0007 0.0020 3194 SER 104 CA 0.0052 0.0005 0.0022 3195 SER 104 C 0.0052 0.0002 0.0013 3196 SER 104 O 0.0043 0.0003 0.0006 3197 SER 104 CB 0.0064 0.0001 0.0023 3198 SER 104 OG 0.0064 0.0004 0.0030 3199 SER 104 H 0.0040 0.0005 0.0011 3200 SER 104 HA 0.0052 0.0008 0.0031 3201 SER 104 HB2 0.0066 -0.0002 0.0014 3202 SER 104 HB3 0.0071 0.0000 0.0027 3203 SER 104 HG 0.0071 0.0001 0.0030 3204 HIS 105 N 0.0062 -0.0001 0.0013 3205 HIS 105 CA 0.0062 -0.0004 0.0005 3206 HIS 105 C 0.0061 -0.0008 -0.0008 3207 HIS 105 O 0.0067 -0.0011 -0.0011 3208 HIS 105 CB 0.0074 -0.0007 0.0008 3209 HIS 105 CG 0.0073 -0.0004 0.0016 3210 HIS 105 ND1 0.0076 -0.0001 0.0028 3211 HIS 105 CD2 0.0070 -0.0004 0.0014 3212 HIS 105 CE1 0.0074 0.0001 0.0033 3213 HIS 105 NE2 0.0070 -0.0000 0.0025 3214 HIS 105 H 0.0068 -0.0002 0.0019 3215 HIS 105 HA 0.0055 -0.0001 0.0006 3216 HIS 105 HB2 0.0081 -0.0008 0.0011 3217 HIS 105 HB3 0.0076 -0.0011 -0.0000 3218 HIS 105 HD2 0.0067 -0.0006 0.0005 3219 HIS 105 HE1 0.0076 0.0004 0.0042 3220 HIS 105 HE2 0.0070 0.0000 0.0026 3221 LYS 106 N 0.0052 -0.0007 -0.0014 3222 LYS 106 CA 0.0050 -0.0011 -0.0027 3223 LYS 106 C 0.0048 -0.0013 -0.0034 3224 LYS 106 O 0.0045 -0.0015 -0.0044 3225 LYS 106 CB 0.0039 -0.0008 -0.0029 3226 LYS 106 CG 0.0040 -0.0006 -0.0023 3227 LYS 106 CD 0.0030 -0.0004 -0.0026 3228 LYS 106 CE 0.0031 -0.0002 -0.0020 3229 LYS 106 NZ 0.0022 -0.0001 -0.0025 3230 LYS 106 H 0.0047 -0.0004 -0.0011 3231 LYS 106 HA 0.0057 -0.0014 -0.0029 3232 LYS 106 HB2 0.0032 -0.0004 -0.0026 3233 LYS 106 HB3 0.0037 -0.0011 -0.0038 3234 LYS 106 HG2 0.0048 -0.0010 -0.0025 3235 LYS 106 HG3 0.0041 -0.0003 -0.0013 3236 LYS 106 HD2 0.0022 -0.0001 -0.0024 3237 LYS 106 HD3 0.0029 -0.0007 -0.0036 3238 LYS 106 HE2 0.0040 -0.0006 -0.0021 3239 LYS 106 HE3 0.0031 0.0001 -0.0011 3240 LYS 106 HZ1 0.0026 -0.0003 -0.0028 3241 LYS 106 HZ2 0.0016 -0.0001 -0.0031 3242 LYS 106 HZ3 0.0017 0.0003 -0.0018 3243 SER 107 N 0.0048 0.0016 0.0004 3244 SER 107 CA 0.0045 0.0019 0.0004 3245 SER 107 C 0.0044 0.0020 0.0004 3246 SER 107 O 0.0043 0.0018 0.0004 3247 SER 107 CB 0.0043 0.0018 0.0004 3248 SER 107 OG 0.0045 0.0015 0.0005 3249 SER 107 H 0.0047 0.0014 0.0005 3250 SER 107 HA 0.0047 0.0021 0.0004 3251 SER 107 HB2 0.0041 0.0016 0.0004 3252 SER 107 HB3 0.0042 0.0019 0.0004 3253 SER 107 HG 0.0043 0.0014 0.0005 3254 GLY 108 N 0.0042 0.0023 0.0003 3255 GLY 108 CA 0.0041 0.0024 0.0003 3256 GLY 108 C 0.0037 0.0023 0.0003 3257 GLY 108 O 0.0035 0.0023 0.0003 3258 GLY 108 H 0.0043 0.0024 0.0003 3259 GLY 108 HA2 0.0042 0.0023 0.0003 3260 GLY 108 HA3 0.0041 0.0026 0.0003 3261 GLY 109 N 0.0036 0.0022 0.0003 3262 GLY 109 CA 0.0032 0.0021 0.0004 3263 GLY 109 C 0.0032 0.0017 0.0004 3264 GLY 109 O 0.0033 0.0016 0.0005 3265 GLY 109 H 0.0037 0.0021 0.0004 3266 GLY 109 HA2 0.0031 0.0021 0.0004 3267 GLY 109 HA3 0.0031 0.0022 0.0003 3268 GLU 110 N 0.0029 0.0016 0.0005 3269 GLU 110 CA 0.0029 0.0012 0.0005 3270 GLU 110 C 0.0025 0.0012 0.0005 3271 GLU 110 O 0.0025 0.0010 0.0006 3272 GLU 110 CB 0.0031 0.0010 0.0006 3273 GLU 110 CG 0.0034 0.0008 0.0006 3274 GLU 110 CD 0.0032 0.0006 0.0006 3275 GLU 110 OE1 0.0029 0.0005 0.0007 3276 GLU 110 OE2 0.0033 0.0006 0.0007 3277 GLU 110 H 0.0028 0.0017 0.0004 3278 GLU 110 HA 0.0029 0.0012 0.0005 3279 GLU 110 HB2 0.0033 0.0012 0.0005 3280 GLU 110 HB3 0.0030 0.0008 0.0006 3281 GLU 110 HG2 0.0035 0.0010 0.0006 3282 GLU 110 HG3 0.0035 0.0007 0.0006 3283 THR 111 N 0.0023 0.0012 0.0005 3284 THR 111 CA 0.0019 0.0012 0.0005 3285 THR 111 C 0.0018 0.0009 0.0006 3286 THR 111 O 0.0020 0.0008 0.0006 3287 THR 111 CB 0.0017 0.0015 0.0005 3288 THR 111 OG1 0.0014 0.0015 0.0005 3289 THR 111 CG2 0.0016 0.0016 0.0005 3290 THR 111 H 0.0023 0.0013 0.0005 3291 THR 111 HA 0.0019 0.0011 0.0006 3292 THR 111 HB 0.0019 0.0017 0.0004 3293 THR 111 HG1 0.0015 0.0016 0.0005 3294 THR 111 HG21 0.0015 0.0018 0.0004 3295 THR 111 HG22 0.0015 0.0014 0.0005 3296 THR 111 HG23 0.0019 0.0016 0.0005 3297 ARG 112 N 0.0015 0.0008 0.0006 3298 ARG 112 CA 0.0013 0.0006 0.0007 3299 ARG 112 C 0.0010 0.0007 0.0006 3300 ARG 112 O 0.0008 0.0009 0.0006 3301 ARG 112 CB 0.0013 0.0003 0.0007 3302 ARG 112 CG 0.0010 0.0000 0.0008 3303 ARG 112 CD 0.0008 -0.0000 0.0008 3304 ARG 112 NE 0.0006 0.0003 0.0007 3305 ARG 112 CZ 0.0006 0.0004 0.0007 3306 ARG 112 NH1 0.0008 0.0003 0.0007 3307 ARG 112 NH2 0.0004 0.0007 0.0006 3308 ARG 112 H 0.0014 0.0009 0.0006 3309 ARG 112 HA 0.0015 0.0005 0.0007 3310 ARG 112 HB2 0.0015 0.0002 0.0007 3311 ARG 112 HB3 0.0013 0.0003 0.0007 3312 ARG 112 HG2 0.0009 0.0001 0.0007 3313 ARG 112 HG3 0.0011 -0.0002 0.0008 3314 ARG 112 HD2 0.0007 -0.0002 0.0008 3315 ARG 112 HD3 0.0010 -0.0001 0.0008 3316 ARG 112 HE 0.0005 0.0004 0.0007 3317 ARG 112 HH11 0.0009 0.0001 0.0008 3318 ARG 112 HH12 0.0008 0.0004 0.0007 3319 ARG 112 HH21 0.0003 0.0007 0.0006 3320 ARG 112 HH22 0.0004 0.0008 0.0006 3321 LEU 113 N -0.0001 0.0017 0.0009 3322 LEU 113 CA -0.0006 0.0017 0.0006 3323 LEU 113 C -0.0012 0.0015 0.0003 3324 LEU 113 O -0.0014 0.0018 0.0003 3325 LEU 113 CB -0.0004 0.0013 0.0007 3326 LEU 113 CG -0.0000 0.0016 0.0009 3327 LEU 113 CD1 -0.0003 0.0023 0.0008 3328 LEU 113 CD2 0.0007 0.0017 0.0012 3329 LEU 113 OXT -0.0015 0.0010 0.0002 3330 LEU 113 H 0.0002 0.0013 0.0010 3331 LEU 113 HA -0.0007 0.0023 0.0007 3332 LEU 113 HB2 -0.0002 0.0008 0.0007 3333 LEU 113 HB3 -0.0009 0.0011 0.0005 3334 LEU 113 HG 0.0000 0.0012 0.0009 3335 LEU 113 HD11 -0.0000 0.0025 0.0010 3336 LEU 113 HD12 -0.0003 0.0027 0.0009 3337 LEU 113 HD13 -0.0008 0.0022 0.0006 3338 LEU 113 HD21 0.0009 0.0019 0.0014 3339 LEU 113 HD22 0.0009 0.0012 0.0013 3340 LEU 113 HD23 0.0006 0.0021 0.0013 3341 GLY 1 N -0.0103 -0.0025 0.0130 3342 GLY 1 CA -0.0097 -0.0010 0.0115 3343 GLY 1 C -0.0068 -0.0017 0.0092 3344 GLY 1 O -0.0057 0.0001 0.0072 3345 GLY 1 H1 -0.0124 -0.0019 0.0145 3346 GLY 1 H2 -0.0095 -0.0049 0.0137 3347 GLY 1 H3 -0.0095 -0.0019 0.0119 3348 GLY 1 HA2 -0.0107 0.0015 0.0109 3349 GLY 1 HA3 -0.0104 -0.0018 0.0126 3350 GLY 2 N -0.0054 -0.0042 0.0095 3351 GLY 2 CA -0.0026 -0.0051 0.0074 3352 GLY 2 C -0.0014 -0.0082 0.0083 3353 GLY 2 O -0.0028 -0.0097 0.0105 3354 GLY 2 H -0.0063 -0.0055 0.0112 3355 GLY 2 HA2 -0.0016 -0.0051 0.0066 3356 GLY 2 HA3 -0.0022 -0.0033 0.0061 3357 SER 3 N 0.0012 -0.0091 0.0065 3358 SER 3 CA 0.0026 -0.0121 0.0071 3359 SER 3 C 0.0051 -0.0120 0.0047 3360 SER 3 O 0.0062 -0.0103 0.0026 3361 SER 3 CB 0.0033 -0.0147 0.0080 3362 SER 3 OG 0.0010 -0.0150 0.0103 3363 SER 3 H 0.0022 -0.0078 0.0048 3364 SER 3 HA 0.0012 -0.0124 0.0085 3365 SER 3 HB2 0.0045 -0.0142 0.0067 3366 SER 3 HB3 0.0045 -0.0168 0.0083 3367 SER 3 HG -0.0006 -0.0133 0.0107 3368 MET 4 N 0.0060 -0.0140 0.0052 3369 MET 4 CA 0.0083 -0.0143 0.0031 3370 MET 4 C 0.0081 -0.0112 0.0015 3371 MET 4 O 0.0092 -0.0095 -0.0006 3372 MET 4 CB 0.0108 -0.0154 0.0016 3373 MET 4 CG 0.0116 -0.0187 0.0030 3374 MET 4 SD 0.0145 -0.0200 0.0011 3375 MET 4 CE 0.0170 -0.0196 -0.0014 3376 MET 4 H 0.0049 -0.0153 0.0069 3377 MET 4 HA 0.0085 -0.0160 0.0040 3378 MET 4 HB2 0.0105 -0.0140 0.0010 3379 MET 4 HB3 0.0125 -0.0152 -0.0001 3380 MET 4 HG2 0.0119 -0.0202 0.0035 3381 MET 4 HG3 0.0099 -0.0189 0.0046 3382 MET 4 HE1 0.0165 -0.0172 -0.0025 3383 MET 4 HE2 0.0189 -0.0206 -0.0026 3384 MET 4 HE3 0.0170 -0.0208 -0.0007 3385 ARG 5 N 0.0067 -0.0106 0.0024 3386 ARG 5 CA 0.0063 -0.0078 0.0010 3387 ARG 5 C 0.0089 -0.0081 -0.0012 3388 ARG 5 O 0.0103 -0.0105 -0.0009 3389 ARG 5 CB 0.0041 -0.0072 0.0027 3390 ARG 5 CG 0.0013 -0.0064 0.0047 3391 ARG 5 CD 0.0007 -0.0092 0.0070 3392 ARG 5 NE -0.0017 -0.0086 0.0088 3393 ARG 5 CZ -0.0021 -0.0106 0.0105 3394 ARG 5 NH1 -0.0003 -0.0134 0.0105 3395 ARG 5 NH2 -0.0044 -0.0098 0.0120 3396 ARG 5 H 0.0058 -0.0120 0.0041 3397 ARG 5 HA 0.0058 -0.0059 0.0003 3398 ARG 5 HB2 0.0044 -0.0092 0.0036 3399 ARG 5 HB3 0.0041 -0.0053 0.0015 3400 ARG 5 HG2 -0.0002 -0.0050 0.0053 3401 ARG 5 HG3 0.0012 -0.0050 0.0040 3402 ARG 5 HD2 0.0024 -0.0107 0.0064 3403 ARG 5 HD3 0.0005 -0.0104 0.0079 3404 ARG 5 HE -0.0031 -0.0065 0.0088 3405 ARG 5 HH11 0.0014 -0.0140 0.0094 3406 ARG 5 HH12 -0.0007 -0.0149 0.0118 3407 ARG 5 HH21 -0.0058 -0.0077 0.0120 3408 ARG 5 HH22 -0.0047 -0.0113 0.0133 3409 PRO 6 N 0.0097 -0.0057 -0.0034 3410 PRO 6 CA 0.0122 -0.0057 -0.0056 3411 PRO 6 C 0.0120 -0.0050 -0.0058 3412 PRO 6 O 0.0106 -0.0025 -0.0061 3413 PRO 6 CB 0.0129 -0.0032 -0.0078 3414 PRO 6 CG 0.0106 -0.0019 -0.0065 3415 PRO 6 CD 0.0084 -0.0026 -0.0040 3416 PRO 6 HA 0.0138 -0.0079 -0.0057 3417 PRO 6 HB2 0.0130 -0.0015 -0.0089 3418 PRO 6 HB3 0.0148 -0.0042 -0.0089 3419 PRO 6 HG2 0.0101 0.0006 -0.0075 3420 PRO 6 HG3 0.0112 -0.0029 -0.0064 3421 PRO 6 HD2 0.0073 -0.0010 -0.0040 3422 PRO 6 HD3 0.0070 -0.0027 -0.0027 3423 PRO 7 N 0.0045 -0.0053 -0.0005 3424 PRO 7 CA 0.0038 -0.0046 -0.0004 3425 PRO 7 C 0.0029 -0.0048 -0.0010 3426 PRO 7 O 0.0026 -0.0053 -0.0014 3427 PRO 7 CB 0.0037 -0.0040 -0.0001 3428 PRO 7 CG 0.0046 -0.0044 0.0001 3429 PRO 7 CD 0.0048 -0.0053 -0.0003 3430 PRO 7 HA 0.0039 -0.0042 -0.0001 3431 PRO 7 HB2 0.0032 -0.0041 -0.0004 3432 PRO 7 HB3 0.0037 -0.0033 0.0002 3433 PRO 7 HG2 0.0045 -0.0043 0.0001 3434 PRO 7 HG3 0.0051 -0.0040 0.0006 3435 PRO 7 HD2 0.0045 -0.0057 -0.0007 3436 PRO 7 HD3 0.0056 -0.0055 -0.0000 3437 ILE 8 N 0.0025 -0.0046 -0.0011 3438 ILE 8 CA 0.0016 -0.0048 -0.0016 3439 ILE 8 C 0.0009 -0.0040 -0.0015 3440 ILE 8 O 0.0008 -0.0033 -0.0011 3441 ILE 8 CB 0.0015 -0.0049 -0.0017 3442 ILE 8 CG1 0.0024 -0.0054 -0.0016 3443 ILE 8 CG2 0.0008 -0.0054 -0.0024 3444 ILE 8 CD1 0.0025 -0.0055 -0.0016 3445 ILE 8 H 0.0027 -0.0043 -0.0008 3446 ILE 8 HA 0.0015 -0.0053 -0.0020 3447 ILE 8 HB 0.0014 -0.0043 -0.0015 3448 ILE 8 HG12 0.0026 -0.0061 -0.0019 3449 ILE 8 HG13 0.0029 -0.0051 -0.0011 3450 ILE 8 HG21 0.0007 -0.0054 -0.0025 3451 ILE 8 HG22 0.0010 -0.0060 -0.0027 3452 ILE 8 HG23 0.0002 -0.0050 -0.0025 3453 ILE 8 HD11 0.0032 -0.0058 -0.0014 3454 ILE 8 HD12 0.0021 -0.0059 -0.0020 3455 ILE 8 HD13 0.0023 -0.0048 -0.0013 3456 ILE 9 N 0.0004 -0.0041 -0.0019 3457 ILE 9 CA -0.0003 -0.0034 -0.0019 3458 ILE 9 C -0.0012 -0.0032 -0.0022 3459 ILE 9 O -0.0017 -0.0037 -0.0027 3460 ILE 9 CB -0.0006 -0.0037 -0.0021 3461 ILE 9 CG1 0.0002 -0.0042 -0.0020 3462 ILE 9 CG2 -0.0011 -0.0029 -0.0019 3463 ILE 9 CD1 0.0009 -0.0037 -0.0014 3464 ILE 9 H 0.0004 -0.0047 -0.0022 3465 ILE 9 HA -0.0001 -0.0029 -0.0014 3466 ILE 9 HB -0.0011 -0.0041 -0.0026 3467 ILE 9 HG12 0.0005 -0.0048 -0.0022 3468 ILE 9 HG13 -0.0001 -0.0044 -0.0023 3469 ILE 9 HG21 -0.0016 -0.0025 -0.0020 3470 ILE 9 HG22 -0.0013 -0.0030 -0.0021 3471 ILE 9 HG23 -0.0006 -0.0024 -0.0014 3472 ILE 9 HD11 0.0014 -0.0041 -0.0014 3473 ILE 9 HD12 0.0011 -0.0035 -0.0011 3474 ILE 9 HD13 0.0005 -0.0031 -0.0012 3475 ILE 10 N -0.0013 -0.0025 -0.0018 3476 ILE 10 CA -0.0021 -0.0022 -0.0020 3477 ILE 10 C -0.0028 -0.0018 -0.0022 3478 ILE 10 O -0.0026 -0.0015 -0.0019 3479 ILE 10 CB -0.0020 -0.0016 -0.0016 3480 ILE 10 CG1 -0.0012 -0.0019 -0.0014 3481 ILE 10 CG2 -0.0028 -0.0013 -0.0019 3482 ILE 10 CD1 -0.0007 -0.0012 -0.0007 3483 ILE 10 H -0.0008 -0.0022 -0.0014 3484 ILE 10 HA -0.0022 -0.0028 -0.0024 3485 ILE 10 HB -0.0019 -0.0010 -0.0012 3486 ILE 10 HG12 -0.0014 -0.0021 -0.0016 3487 ILE 10 HG13 -0.0007 -0.0024 -0.0014 3488 ILE 10 HG21 -0.0026 -0.0011 -0.0017 3489 ILE 10 HG22 -0.0030 -0.0019 -0.0024 3490 ILE 10 HG23 -0.0033 -0.0009 -0.0019 3491 ILE 10 HD11 -0.0005 -0.0009 -0.0005 3492 ILE 10 HD12 -0.0000 -0.0015 -0.0006 3493 ILE 10 HD13 -0.0010 -0.0007 -0.0007 3494 HIS 11 N -0.0036 -0.0017 -0.0025 3495 HIS 11 CA -0.0044 -0.0013 -0.0027 3496 HIS 11 C -0.0051 -0.0007 -0.0027 3497 HIS 11 O -0.0054 -0.0011 -0.0031 3498 HIS 11 CB -0.0048 -0.0019 -0.0032 3499 HIS 11 CG -0.0055 -0.0015 -0.0034 3500 HIS 11 ND1 -0.0064 -0.0016 -0.0039 3501 HIS 11 CD2 -0.0055 -0.0010 -0.0031 3502 HIS 11 CE1 -0.0069 -0.0011 -0.0039 3503 HIS 11 NE2 -0.0064 -0.0008 -0.0034 3504 HIS 11 H -0.0037 -0.0019 -0.0027 3505 HIS 11 HA -0.0042 -0.0008 -0.0023 3506 HIS 11 HB2 -0.0043 -0.0023 -0.0032 3507 HIS 11 HB3 -0.0050 -0.0023 -0.0036 3508 HIS 11 HD2 -0.0049 -0.0008 -0.0027 3509 HIS 11 HE1 -0.0076 -0.0011 -0.0042 3510 HIS 11 HE2 -0.0066 -0.0003 -0.0033 3511 ARG 12 N -0.0052 0.0001 -0.0023 3512 ARG 12 CA -0.0059 0.0007 -0.0023 3513 ARG 12 C -0.0068 0.0006 -0.0029 3514 ARG 12 O -0.0073 0.0009 -0.0029 3515 ARG 12 CB -0.0058 0.0017 -0.0017 3516 ARG 12 CG -0.0064 0.0023 -0.0016 3517 ARG 12 CD -0.0062 0.0032 -0.0010 3518 ARG 12 NE -0.0067 0.0039 -0.0009 3519 ARG 12 CZ -0.0070 0.0047 -0.0006 3520 ARG 12 NH1 -0.0068 0.0050 -0.0003 3521 ARG 12 NH2 -0.0075 0.0053 -0.0005 3522 ARG 12 H -0.0049 0.0004 -0.0020 3523 ARG 12 HA -0.0057 0.0006 -0.0023 3524 ARG 12 HB2 -0.0052 0.0017 -0.0014 3525 ARG 12 HB3 -0.0061 0.0018 -0.0018 3526 ARG 12 HG2 -0.0071 0.0024 -0.0020 3527 ARG 12 HG3 -0.0062 0.0022 -0.0016 3528 ARG 12 HD2 -0.0055 0.0032 -0.0007 3529 ARG 12 HD3 -0.0064 0.0034 -0.0010 3530 ARG 12 HE -0.0069 0.0038 -0.0011 3531 ARG 12 HH11 -0.0065 0.0045 -0.0004 3532 ARG 12 HH12 -0.0070 0.0056 -0.0001 3533 ARG 12 HH21 -0.0076 0.0051 -0.0006 3534 ARG 12 HH22 -0.0077 0.0059 -0.0002 3535 ALA 13 N -0.0076 -0.0006 -0.0033 3536 ALA 13 CA -0.0087 -0.0008 -0.0039 3537 ALA 13 C -0.0094 0.0001 -0.0040 3538 ALA 13 O -0.0098 -0.0000 -0.0042 3539 ALA 13 CB -0.0087 -0.0019 -0.0043 3540 ALA 13 H -0.0071 -0.0009 -0.0032 3541 ALA 13 HA -0.0090 -0.0010 -0.0041 3542 ALA 13 HB1 -0.0095 -0.0020 -0.0047 3543 ALA 13 HB2 -0.0083 -0.0018 -0.0040 3544 ALA 13 HB3 -0.0083 -0.0026 -0.0043 3545 GLY 14 N -0.0094 0.0011 -0.0037 3546 GLY 14 CA -0.0100 0.0020 -0.0037 3547 GLY 14 C -0.0096 0.0025 -0.0033 3548 GLY 14 O -0.0100 0.0032 -0.0033 3549 GLY 14 H -0.0090 0.0012 -0.0035 3550 GLY 14 HA2 -0.0101 0.0027 -0.0035 3551 GLY 14 HA3 -0.0108 0.0018 -0.0041 3552 LYS 15 N -0.0086 0.0020 -0.0030 3553 LYS 15 CA -0.0081 0.0024 -0.0026 3554 LYS 15 C -0.0070 0.0026 -0.0020 3555 LYS 15 O -0.0068 0.0035 -0.0017 3556 LYS 15 CB -0.0080 0.0015 -0.0029 3557 LYS 15 CG -0.0080 0.0003 -0.0032 3558 LYS 15 CD -0.0077 -0.0005 -0.0034 3559 LYS 15 CE -0.0087 -0.0005 -0.0038 3560 LYS 15 NZ -0.0085 -0.0012 -0.0039 3561 LYS 15 H -0.0083 0.0014 -0.0030 3562 LYS 15 HA -0.0085 0.0031 -0.0026 3563 LYS 15 HB2 -0.0074 0.0016 -0.0025 3564 LYS 15 HB3 -0.0087 0.0017 -0.0032 3565 LYS 15 HG2 -0.0087 0.0002 -0.0036 3566 LYS 15 HG3 -0.0073 0.0002 -0.0030 3567 LYS 15 HD2 -0.0075 -0.0013 -0.0035 3568 LYS 15 HD3 -0.0071 -0.0002 -0.0030 3569 LYS 15 HE2 -0.0089 0.0004 -0.0037 3570 LYS 15 HE3 -0.0093 -0.0008 -0.0042 3571 LYS 15 HZ1 -0.0091 -0.0012 -0.0043 3572 LYS 15 HZ2 -0.0080 -0.0008 -0.0036 3573 LYS 15 HZ3 -0.0081 -0.0019 -0.0040 3574 LYS 16 N -0.0062 0.0017 -0.0019 3575 LYS 16 CA -0.0051 0.0018 -0.0014 3576 LYS 16 C -0.0046 0.0007 -0.0014 3577 LYS 16 O -0.0050 -0.0001 -0.0019 3578 LYS 16 CB -0.0046 0.0022 -0.0010 3579 LYS 16 CG -0.0049 0.0016 -0.0013 3580 LYS 16 CD -0.0045 0.0022 -0.0010 3581 LYS 16 CE -0.0050 0.0018 -0.0013 3582 LYS 16 NZ -0.0047 0.0024 -0.0010 3583 LYS 16 H -0.0064 0.0010 -0.0023 3584 LYS 16 HA -0.0051 0.0024 -0.0012 3585 LYS 16 HB2 -0.0038 0.0021 -0.0006 3586 LYS 16 HB3 -0.0049 0.0031 -0.0009 3587 LYS 16 HG2 -0.0057 0.0016 -0.0017 3588 LYS 16 HG3 -0.0044 0.0008 -0.0013 3589 LYS 16 HD2 -0.0037 0.0021 -0.0006 3590 LYS 16 HD3 -0.0048 0.0031 -0.0008 3591 LYS 16 HE2 -0.0058 0.0019 -0.0017 3592 LYS 16 HE3 -0.0047 0.0009 -0.0014 3593 LYS 16 HZ1 -0.0049 0.0032 -0.0008 3594 LYS 16 HZ2 -0.0039 0.0022 -0.0007 3595 LYS 16 HZ3 -0.0051 0.0022 -0.0013 3596 TYR 17 N -0.0035 0.0007 -0.0010 3597 TYR 17 CA -0.0029 -0.0003 -0.0010 3598 TYR 17 C -0.0026 -0.0010 -0.0010 3599 TYR 17 O -0.0020 -0.0019 -0.0010 3600 TYR 17 CB -0.0020 -0.0001 -0.0004 3601 TYR 17 CG -0.0023 0.0008 -0.0003 3602 TYR 17 CD1 -0.0027 0.0004 -0.0006 3603 TYR 17 CD2 -0.0023 0.0019 0.0000 3604 TYR 17 CE1 -0.0031 0.0012 -0.0006 3605 TYR 17 CE2 -0.0027 0.0026 0.0001 3606 TYR 17 CZ -0.0030 0.0023 -0.0002 3607 TYR 17 OH -0.0034 0.0031 -0.0001 3608 TYR 17 H -0.0032 0.0013 -0.0006 3609 TYR 17 HA -0.0034 -0.0008 -0.0013 3610 TYR 17 HB2 -0.0014 0.0002 -0.0001 3611 TYR 17 HB3 -0.0017 -0.0008 -0.0005 3612 TYR 17 HD1 -0.0027 -0.0004 -0.0009 3613 TYR 17 HD2 -0.0020 0.0021 0.0002 3614 TYR 17 HE1 -0.0034 0.0009 -0.0008 3615 TYR 17 HE2 -0.0026 0.0035 0.0004 3616 TYR 17 HH -0.0028 0.0032 0.0002 3617 GLY 18 N -0.0029 -0.0006 -0.0011 3618 GLY 18 CA -0.0027 -0.0012 -0.0011 3619 GLY 18 C -0.0016 -0.0016 -0.0007 3620 GLY 18 O -0.0014 -0.0025 -0.0009 3621 GLY 18 H -0.0033 0.0001 -0.0010 3622 GLY 18 HA2 -0.0030 -0.0006 -0.0011 3623 GLY 18 HA3 -0.0032 -0.0019 -0.0016 3624 PHE 19 N 0.0005 -0.0003 0.0009 3625 PHE 19 CA 0.0008 -0.0004 0.0011 3626 PHE 19 C 0.0011 -0.0001 0.0011 3627 PHE 19 O 0.0010 0.0002 0.0009 3628 PHE 19 CB 0.0008 -0.0006 0.0012 3629 PHE 19 CG 0.0007 -0.0004 0.0011 3630 PHE 19 CD1 0.0004 -0.0003 0.0009 3631 PHE 19 CD2 0.0010 -0.0004 0.0011 3632 PHE 19 CE1 0.0004 -0.0001 0.0008 3633 PHE 19 CE2 0.0010 -0.0002 0.0011 3634 PHE 19 CZ 0.0007 -0.0001 0.0009 3635 PHE 19 H 0.0004 -0.0001 0.0008 3636 PHE 19 HA 0.0010 -0.0005 0.0012 3637 PHE 19 HB2 0.0010 -0.0008 0.0013 3638 PHE 19 HB3 0.0006 -0.0008 0.0012 3639 PHE 19 HD1 0.0002 -0.0003 0.0008 3640 PHE 19 HD2 0.0013 -0.0005 0.0013 3641 PHE 19 HE1 0.0001 0.0000 0.0007 3642 PHE 19 HE2 0.0012 -0.0002 0.0011 3643 PHE 19 HZ 0.0006 0.0001 0.0008 3644 THR 20 N 0.0015 -0.0001 0.0012 3645 THR 20 CA 0.0018 0.0001 0.0012 3646 THR 20 C 0.0019 0.0001 0.0013 3647 THR 20 O 0.0021 -0.0001 0.0014 3648 THR 20 CB 0.0020 0.0001 0.0014 3649 THR 20 OG1 0.0019 0.0001 0.0013 3650 THR 20 CG2 0.0024 0.0004 0.0014 3651 THR 20 H 0.0015 -0.0004 0.0013 3652 THR 20 HA 0.0017 0.0004 0.0011 3653 THR 20 HB 0.0021 -0.0002 0.0015 3654 THR 20 HG1 0.0016 0.0001 0.0012 3655 THR 20 HG21 0.0023 0.0006 0.0012 3656 THR 20 HG22 0.0024 0.0004 0.0014 3657 THR 20 HG23 0.0026 0.0003 0.0015 3658 LEU 21 N 0.0019 0.0004 0.0012 3659 LEU 21 CA 0.0020 0.0004 0.0012 3660 LEU 21 C 0.0024 0.0006 0.0013 3661 LEU 21 O 0.0025 0.0009 0.0012 3662 LEU 21 CB 0.0018 0.0006 0.0011 3663 LEU 21 CG 0.0018 0.0005 0.0011 3664 LEU 21 CD1 0.0019 0.0001 0.0013 3665 LEU 21 CD2 0.0014 0.0005 0.0010 3666 LEU 21 H 0.0018 0.0006 0.0010 3667 LEU 21 HA 0.0020 0.0002 0.0013 3668 LEU 21 HB2 0.0016 0.0006 0.0010 3669 LEU 21 HB3 0.0019 0.0009 0.0010 3670 LEU 21 HG 0.0020 0.0007 0.0011 3671 LEU 21 HD11 0.0022 0.0002 0.0014 3672 LEU 21 HD12 0.0019 0.0001 0.0013 3673 LEU 21 HD13 0.0018 -0.0000 0.0013 3674 LEU 21 HD21 0.0013 0.0003 0.0010 3675 LEU 21 HD22 0.0015 0.0005 0.0010 3676 LEU 21 HD23 0.0014 0.0008 0.0008 3677 ARG 22 N 0.0027 0.0004 0.0015 3678 ARG 22 CA 0.0030 0.0005 0.0016 3679 ARG 22 C 0.0032 0.0006 0.0016 3680 ARG 22 O 0.0031 0.0004 0.0016 3681 ARG 22 CB 0.0032 0.0002 0.0018 3682 ARG 22 CG 0.0035 0.0004 0.0018 3683 ARG 22 CD 0.0034 0.0005 0.0017 3684 ARG 22 NE 0.0037 0.0006 0.0018 3685 ARG 22 CZ 0.0037 0.0008 0.0017 3686 ARG 22 NH1 0.0034 0.0009 0.0015 3687 ARG 22 NH2 0.0040 0.0008 0.0018 3688 ARG 22 H 0.0026 0.0001 0.0015 3689 ARG 22 HA 0.0031 0.0007 0.0015 3690 ARG 22 HB2 0.0031 0.0000 0.0018 3691 ARG 22 HB3 0.0034 0.0001 0.0019 3692 ARG 22 HG2 0.0037 0.0002 0.0020 3693 ARG 22 HG3 0.0037 0.0006 0.0018 3694 ARG 22 HD2 0.0033 0.0007 0.0016 3695 ARG 22 HD3 0.0032 0.0003 0.0017 3696 ARG 22 HE 0.0039 0.0005 0.0019 3697 ARG 22 HH11 0.0032 0.0008 0.0015 3698 ARG 22 HH12 0.0034 0.0010 0.0015 3699 ARG 22 HH21 0.0042 0.0007 0.0019 3700 ARG 22 HH22 0.0039 0.0010 0.0017 3701 ALA 23 N 0.0034 0.0009 0.0015 3702 ALA 23 CA 0.0035 0.0011 0.0015 3703 ALA 23 C 0.0039 0.0010 0.0017 3704 ALA 23 O 0.0041 0.0010 0.0018 3705 ALA 23 CB 0.0035 0.0015 0.0014 3706 ALA 23 H 0.0034 0.0011 0.0015 3707 ALA 23 HA 0.0034 0.0009 0.0015 3708 ALA 23 HB1 0.0037 0.0016 0.0014 3709 ALA 23 HB2 0.0033 0.0015 0.0013 3710 ALA 23 HB3 0.0037 0.0015 0.0014 3711 ILE 24 N 0.0040 0.0009 0.0018 3712 ILE 24 CA 0.0044 0.0008 0.0020 3713 ILE 24 C 0.0045 0.0008 0.0020 3714 ILE 24 O 0.0043 0.0007 0.0020 3715 ILE 24 CB 0.0044 0.0004 0.0022 3716 ILE 24 CG1 0.0041 0.0001 0.0021 3717 ILE 24 CG2 0.0045 0.0004 0.0022 3718 ILE 24 CD1 0.0042 -0.0003 0.0023 3719 ILE 24 H 0.0039 0.0008 0.0018 3720 ILE 24 HA 0.0046 0.0010 0.0020 3721 ILE 24 HB 0.0047 0.0003 0.0023 3722 ILE 24 HG12 0.0039 0.0002 0.0020 3723 ILE 24 HG13 0.0040 0.0002 0.0021 3724 ILE 24 HG21 0.0043 0.0005 0.0021 3725 ILE 24 HG22 0.0048 0.0005 0.0022 3726 ILE 24 HG23 0.0045 0.0001 0.0023 3727 ILE 24 HD11 0.0044 -0.0003 0.0024 3728 ILE 24 HD12 0.0039 -0.0004 0.0023 3729 ILE 24 HD13 0.0042 -0.0003 0.0023 3730 ARG 25 N 0.0030 -0.0002 0.0008 3731 ARG 25 CA 0.0013 -0.0002 -0.0003 3732 ARG 25 C 0.0001 0.0007 -0.0005 3733 ARG 25 O -0.0000 0.0001 -0.0011 3734 ARG 25 CB 0.0014 -0.0018 -0.0018 3735 ARG 25 CG 0.0026 -0.0028 -0.0017 3736 ARG 25 CD 0.0024 -0.0043 -0.0032 3737 ARG 25 NE 0.0028 -0.0052 -0.0038 3738 ARG 25 CZ 0.0026 -0.0065 -0.0051 3739 ARG 25 NH1 0.0021 -0.0071 -0.0060 3740 ARG 25 NH2 0.0029 -0.0073 -0.0055 3741 ARG 25 H 0.0036 -0.0010 0.0006 3742 ARG 25 HA 0.0010 0.0004 -0.0001 3743 ARG 25 HB2 0.0017 -0.0023 -0.0021 3744 ARG 25 HB3 0.0002 -0.0017 -0.0026 3745 ARG 25 HG2 0.0024 -0.0021 -0.0013 3746 ARG 25 HG3 0.0038 -0.0030 -0.0010 3747 ARG 25 HD2 0.0012 -0.0040 -0.0039 3748 ARG 25 HD3 0.0033 -0.0049 -0.0032 3749 ARG 25 HE 0.0032 -0.0048 -0.0031 3750 ARG 25 HH11 0.0019 -0.0065 -0.0057 3751 ARG 25 HH12 0.0020 -0.0081 -0.0070 3752 ARG 25 HH21 0.0033 -0.0069 -0.0049 3753 ARG 25 HH22 0.0028 -0.0083 -0.0065 3754 VAL 26 N -0.0008 0.0022 0.0002 3755 VAL 26 CA -0.0020 0.0032 0.0001 3756 VAL 26 C -0.0036 0.0029 -0.0013 3757 VAL 26 O -0.0045 0.0031 -0.0018 3758 VAL 26 CB -0.0025 0.0049 0.0013 3759 VAL 26 CG1 -0.0013 0.0055 0.0028 3760 VAL 26 CG2 -0.0027 0.0052 0.0014 3761 VAL 26 H -0.0007 0.0026 0.0006 3762 VAL 26 HA -0.0015 0.0030 0.0004 3763 VAL 26 HB -0.0037 0.0056 0.0010 3764 VAL 26 HG11 -0.0012 0.0063 0.0036 3765 VAL 26 HG12 -0.0001 0.0045 0.0028 3766 VAL 26 HG13 -0.0017 0.0059 0.0029 3767 VAL 26 HG21 -0.0035 0.0047 0.0004 3768 VAL 26 HG22 -0.0015 0.0047 0.0018 3769 VAL 26 HG23 -0.0033 0.0064 0.0021 3770 TYR 27 N -0.0038 0.0022 -0.0021 3771 TYR 27 CA -0.0053 0.0018 -0.0035 3772 TYR 27 C -0.0067 0.0033 -0.0033 3773 TYR 27 O -0.0069 0.0038 -0.0030 3774 TYR 27 CB -0.0049 0.0006 -0.0044 3775 TYR 27 CG -0.0038 -0.0010 -0.0050 3776 TYR 27 CD1 -0.0021 -0.0014 -0.0041 3777 TYR 27 CD2 -0.0044 -0.0021 -0.0064 3778 TYR 27 CE1 -0.0011 -0.0029 -0.0046 3779 TYR 27 CE2 -0.0034 -0.0035 -0.0070 3780 TYR 27 CZ -0.0017 -0.0039 -0.0061 3781 TYR 27 OH -0.0007 -0.0054 -0.0066 3782 TYR 27 H -0.0030 0.0020 -0.0017 3783 TYR 27 HA -0.0055 0.0014 -0.0041 3784 TYR 27 HB2 -0.0043 0.0009 -0.0037 3785 TYR 27 HB3 -0.0061 0.0006 -0.0053 3786 TYR 27 HD1 -0.0016 -0.0006 -0.0030 3787 TYR 27 HD2 -0.0058 -0.0017 -0.0071 3788 TYR 27 HE1 0.0002 -0.0032 -0.0039 3789 TYR 27 HE2 -0.0039 -0.0043 -0.0081 3790 TYR 27 HH -0.0013 -0.0058 -0.0074 3791 MET 28 N -0.0078 0.0040 -0.0035 3792 MET 28 CA -0.0092 0.0054 -0.0033 3793 MET 28 C -0.0108 0.0052 -0.0046 3794 MET 28 O -0.0108 0.0048 -0.0050 3795 MET 28 CB -0.0091 0.0068 -0.0019 3796 MET 28 CG -0.0077 0.0072 -0.0006 3797 MET 28 SD -0.0076 0.0089 0.0010 3798 MET 28 CE -0.0072 0.0084 0.0009 3799 MET 28 H -0.0076 0.0035 -0.0037 3800 MET 28 HA -0.0094 0.0056 -0.0032 3801 MET 28 HB2 -0.0088 0.0065 -0.0020 3802 MET 28 HB3 -0.0102 0.0078 -0.0019 3803 MET 28 HG2 -0.0079 0.0073 -0.0006 3804 MET 28 HG3 -0.0065 0.0062 -0.0005 3805 MET 28 HE1 -0.0083 0.0082 -0.0001 3806 MET 28 HE2 -0.0062 0.0073 0.0007 3807 MET 28 HE3 -0.0071 0.0093 0.0018 3808 GLY 29 N -0.0120 0.0055 -0.0053 3809 GLY 29 CA -0.0135 0.0054 -0.0065 3810 GLY 29 C -0.0140 0.0045 -0.0077 3811 GLY 29 O -0.0131 0.0038 -0.0076 3812 GLY 29 H -0.0119 0.0059 -0.0049 3813 GLY 29 HA2 -0.0145 0.0066 -0.0062 3814 GLY 29 HA3 -0.0134 0.0048 -0.0069 3815 ASP 30 N -0.0155 0.0046 -0.0088 3816 ASP 30 CA -0.0161 0.0037 -0.0100 3817 ASP 30 C -0.0152 0.0020 -0.0109 3818 ASP 30 O -0.0147 0.0011 -0.0113 3819 ASP 30 CB -0.0180 0.0042 -0.0110 3820 ASP 30 CG -0.0186 0.0038 -0.0118 3821 ASP 30 OD1 -0.0186 0.0025 -0.0130 3822 ASP 30 OD2 -0.0189 0.0047 -0.0112 3823 ASP 30 H -0.0163 0.0052 -0.0088 3824 ASP 30 HA -0.0159 0.0040 -0.0096 3825 ASP 30 HB2 -0.0184 0.0037 -0.0118 3826 ASP 30 HB3 -0.0186 0.0055 -0.0103 3827 SER 31 N -0.0170 0.0012 -0.0126 3828 SER 31 CA -0.0161 -0.0009 -0.0132 3829 SER 31 C -0.0141 -0.0015 -0.0121 3830 SER 31 O -0.0134 -0.0003 -0.0109 3831 SER 31 CB -0.0164 -0.0013 -0.0136 3832 SER 31 OG -0.0179 0.0002 -0.0138 3833 SER 31 H -0.0172 0.0021 -0.0123 3834 SER 31 HA -0.0169 -0.0017 -0.0142 3835 SER 31 HB2 -0.0151 -0.0013 -0.0127 3836 SER 31 HB3 -0.0166 -0.0027 -0.0145 3837 SER 31 HG -0.0189 0.0005 -0.0143 3838 ASP 32 N -0.0132 -0.0034 -0.0125 3839 ASP 32 CA -0.0112 -0.0042 -0.0115 3840 ASP 32 C -0.0100 -0.0036 -0.0103 3841 ASP 32 O -0.0085 -0.0047 -0.0098 3842 ASP 32 CB -0.0107 -0.0065 -0.0124 3843 ASP 32 CG -0.0095 -0.0073 -0.0120 3844 ASP 32 OD1 -0.0078 -0.0075 -0.0109 3845 ASP 32 OD2 -0.0103 -0.0077 -0.0128 3846 ASP 32 H -0.0138 -0.0043 -0.0134 3847 ASP 32 HA -0.0110 -0.0036 -0.0110 3848 ASP 32 HB2 -0.0120 -0.0069 -0.0135 3849 ASP 32 HB3 -0.0100 -0.0071 -0.0122 3850 VAL 33 N -0.0108 -0.0018 -0.0099 3851 VAL 33 CA -0.0098 -0.0010 -0.0088 3852 VAL 33 C -0.0084 -0.0001 -0.0073 3853 VAL 33 O -0.0087 0.0009 -0.0070 3854 VAL 33 CB -0.0112 0.0005 -0.0089 3855 VAL 33 CG1 -0.0124 0.0021 -0.0089 3856 VAL 33 CG2 -0.0101 0.0015 -0.0076 3857 VAL 33 H -0.0119 -0.0010 -0.0103 3858 VAL 33 HA -0.0091 -0.0022 -0.0089 3859 VAL 33 HB -0.0120 -0.0002 -0.0099 3860 VAL 33 HG11 -0.0133 0.0015 -0.0099 3861 VAL 33 HG12 -0.0133 0.0032 -0.0089 3862 VAL 33 HG13 -0.0116 0.0028 -0.0080 3863 VAL 33 HG21 -0.0111 0.0026 -0.0077 3864 VAL 33 HG22 -0.0094 0.0003 -0.0077 3865 VAL 33 HG23 -0.0092 0.0021 -0.0066 3866 TYR 34 N -0.0068 -0.0005 -0.0063 3867 TYR 34 CA -0.0053 0.0002 -0.0049 3868 TYR 34 C -0.0042 0.0007 -0.0038 3869 TYR 34 O -0.0042 -0.0001 -0.0043 3870 TYR 34 CB -0.0040 -0.0013 -0.0048 3871 TYR 34 CG -0.0033 -0.0033 -0.0054 3872 TYR 34 CD1 -0.0042 -0.0047 -0.0068 3873 TYR 34 CD2 -0.0016 -0.0038 -0.0044 3874 TYR 34 CE1 -0.0036 -0.0065 -0.0073 3875 TYR 34 CE2 -0.0009 -0.0056 -0.0050 3876 TYR 34 CZ -0.0019 -0.0070 -0.0064 3877 TYR 34 OH -0.0012 -0.0088 -0.0069 3878 TYR 34 H -0.0066 -0.0013 -0.0066 3879 TYR 34 HA -0.0059 0.0016 -0.0046 3880 TYR 34 HB2 -0.0028 -0.0008 -0.0037 3881 TYR 34 HB3 -0.0047 -0.0015 -0.0055 3882 TYR 34 HD1 -0.0055 -0.0044 -0.0076 3883 TYR 34 HD2 -0.0008 -0.0027 -0.0033 3884 TYR 34 HE1 -0.0043 -0.0076 -0.0085 3885 TYR 34 HE2 0.0004 -0.0059 -0.0042 3886 TYR 34 HH -0.0020 -0.0088 -0.0074 3887 THR 35 N -0.0034 0.0021 -0.0025 3888 THR 35 CA -0.0023 0.0027 -0.0014 3889 THR 35 C -0.0002 0.0020 -0.0003 3890 THR 35 O 0.0003 0.0024 0.0003 3891 THR 35 CB -0.0028 0.0049 -0.0006 3892 THR 35 OG1 -0.0042 0.0059 -0.0010 3893 THR 35 CG2 -0.0035 0.0054 -0.0008 3894 THR 35 H -0.0035 0.0028 -0.0022 3895 THR 35 HA -0.0025 0.0019 -0.0020 3896 THR 35 HB -0.0016 0.0054 0.0006 3897 THR 35 HG1 -0.0052 0.0053 -0.0021 3898 THR 35 HG21 -0.0039 0.0069 -0.0002 3899 THR 35 HG22 -0.0047 0.0048 -0.0020 3900 THR 35 HG23 -0.0025 0.0046 -0.0005 3901 VAL 36 N 0.0009 0.0008 -0.0002 3902 VAL 36 CA 0.0028 0.0001 0.0008 3903 VAL 36 C 0.0038 0.0017 0.0023 3904 VAL 36 O 0.0041 0.0020 0.0027 3905 VAL 36 CB 0.0037 -0.0018 0.0004 3906 VAL 36 CG1 0.0056 -0.0028 0.0012 3907 VAL 36 CG2 0.0025 -0.0032 -0.0012 3908 VAL 36 H 0.0003 0.0005 -0.0007 3909 VAL 36 HA 0.0030 -0.0003 0.0008 3910 VAL 36 HB 0.0038 -0.0014 0.0006 3911 VAL 36 HG11 0.0061 -0.0043 0.0007 3912 VAL 36 HG12 0.0057 -0.0029 0.0012 3913 VAL 36 HG13 0.0065 -0.0020 0.0023 3914 VAL 36 HG21 0.0012 -0.0025 -0.0018 3915 VAL 36 HG22 0.0024 -0.0036 -0.0016 3916 VAL 36 HG23 0.0031 -0.0046 -0.0015 3917 HIS 37 N 0.0040 0.0010 0.0017 3918 HIS 37 CA 0.0038 0.0008 0.0017 3919 HIS 37 C 0.0036 0.0007 0.0017 3920 HIS 37 O 0.0037 0.0009 0.0017 3921 HIS 37 CB 0.0039 0.0005 0.0018 3922 HIS 37 CG 0.0040 0.0005 0.0018 3923 HIS 37 ND1 0.0039 0.0006 0.0017 3924 HIS 37 CD2 0.0043 0.0004 0.0018 3925 HIS 37 CE1 0.0040 0.0006 0.0017 3926 HIS 37 NE2 0.0043 0.0004 0.0018 3927 HIS 37 H 0.0042 0.0009 0.0017 3928 HIS 37 HA 0.0036 0.0009 0.0017 3929 HIS 37 HB2 0.0041 0.0004 0.0018 3930 HIS 37 HB3 0.0037 0.0003 0.0018 3931 HIS 37 HD2 0.0044 0.0002 0.0018 3932 HIS 37 HE1 0.0040 0.0007 0.0017 3933 HIS 37 HE2 0.0045 0.0004 0.0018 3934 HIS 38 N 0.0034 0.0005 0.0017 3935 HIS 38 CA 0.0032 0.0005 0.0017 3936 HIS 38 C 0.0031 0.0001 0.0018 3937 HIS 38 O 0.0031 0.0000 0.0018 3938 HIS 38 CB 0.0029 0.0006 0.0017 3939 HIS 38 CG 0.0030 0.0010 0.0016 3940 HIS 38 ND1 0.0031 0.0011 0.0016 3941 HIS 38 CD2 0.0030 0.0012 0.0016 3942 HIS 38 CE1 0.0031 0.0014 0.0015 3943 HIS 38 NE2 0.0031 0.0014 0.0015 3944 HIS 38 H 0.0033 0.0004 0.0017 3945 HIS 38 HA 0.0033 0.0005 0.0017 3946 HIS 38 HB2 0.0028 0.0006 0.0017 3947 HIS 38 HB3 0.0028 0.0006 0.0017 3948 HIS 38 HD2 0.0029 0.0011 0.0016 3949 HIS 38 HE1 0.0032 0.0016 0.0015 3950 HIS 38 HE2 0.0031 0.0016 0.0015 3951 MET 39 N 0.0030 0.0000 0.0018 3952 MET 39 CA 0.0030 -0.0003 0.0019 3953 MET 39 C 0.0027 -0.0004 0.0019 3954 MET 39 O 0.0028 -0.0002 0.0018 3955 MET 39 CB 0.0032 -0.0005 0.0019 3956 MET 39 CG 0.0034 -0.0005 0.0019 3957 MET 39 SD 0.0036 -0.0009 0.0020 3958 MET 39 CE 0.0038 -0.0009 0.0020 3959 MET 39 H 0.0031 0.0001 0.0018 3960 MET 39 HA 0.0028 -0.0004 0.0019 3961 MET 39 HB2 0.0034 -0.0004 0.0019 3962 MET 39 HB3 0.0032 -0.0007 0.0020 3963 MET 39 HG2 0.0033 -0.0005 0.0019 3964 MET 39 HG3 0.0036 -0.0003 0.0019 3965 MET 39 HE1 0.0039 -0.0011 0.0021 3966 MET 39 HE2 0.0037 -0.0009 0.0020 3967 MET 39 HE3 0.0040 -0.0007 0.0020 3968 VAL 40 N 0.0025 -0.0006 0.0019 3969 VAL 40 CA 0.0023 -0.0006 0.0019 3970 VAL 40 C 0.0025 -0.0008 0.0019 3971 VAL 40 O 0.0025 -0.0011 0.0020 3972 VAL 40 CB 0.0020 -0.0008 0.0019 3973 VAL 40 CG1 0.0021 -0.0011 0.0020 3974 VAL 40 CG2 0.0018 -0.0009 0.0019 3975 VAL 40 H 0.0025 -0.0007 0.0019 3976 VAL 40 HA 0.0023 -0.0004 0.0019 3977 VAL 40 HB 0.0019 -0.0006 0.0019 3978 VAL 40 HG11 0.0019 -0.0012 0.0020 3979 VAL 40 HG12 0.0023 -0.0012 0.0020 3980 VAL 40 HG13 0.0022 -0.0010 0.0020 3981 VAL 40 HG21 0.0018 -0.0007 0.0019 3982 VAL 40 HG22 0.0019 -0.0011 0.0020 3983 VAL 40 HG23 0.0016 -0.0009 0.0019 3984 TRP 41 N 0.0026 -0.0007 0.0019 3985 TRP 41 CA 0.0027 -0.0008 0.0020 3986 TRP 41 C 0.0025 -0.0010 0.0020 3987 TRP 41 O 0.0026 -0.0012 0.0020 3988 TRP 41 CB 0.0028 -0.0006 0.0019 3989 TRP 41 CG 0.0031 -0.0006 0.0019 3990 TRP 41 CD1 0.0031 -0.0006 0.0019 3991 TRP 41 CD2 0.0034 -0.0008 0.0020 3992 TRP 41 NE1 0.0034 -0.0007 0.0020 3993 TRP 41 CE2 0.0036 -0.0008 0.0020 3994 TRP 41 CE3 0.0034 -0.0008 0.0020 3995 TRP 41 CZ2 0.0038 -0.0009 0.0020 3996 TRP 41 CZ3 0.0037 -0.0009 0.0020 3997 TRP 41 CH2 0.0039 -0.0010 0.0021 3998 TRP 41 H 0.0025 -0.0005 0.0019 3999 TRP 41 HA 0.0029 -0.0009 0.0020 4000 TRP 41 HB2 0.0029 -0.0004 0.0019 4001 TRP 41 HB3 0.0026 -0.0005 0.0019 4002 TRP 41 HD1 0.0030 -0.0005 0.0019 4003 TRP 41 HE1 0.0035 -0.0007 0.0020 4004 TRP 41 HE3 0.0033 -0.0008 0.0020 4005 TRP 41 HZ2 0.0040 -0.0009 0.0020 4006 TRP 41 HZ3 0.0038 -0.0010 0.0021 4007 TRP 41 HH2 0.0041 -0.0011 0.0021 4008 HIS 42 N 0.0022 -0.0009 0.0020 4009 HIS 42 CA 0.0020 -0.0011 0.0020 4010 HIS 42 C 0.0017 -0.0010 0.0019 4011 HIS 42 O 0.0016 -0.0008 0.0019 4012 HIS 42 CB 0.0020 -0.0010 0.0020 4013 HIS 42 CG 0.0020 -0.0013 0.0020 4014 HIS 42 ND1 0.0022 -0.0015 0.0021 4015 HIS 42 CD2 0.0017 -0.0014 0.0020 4016 HIS 42 CE1 0.0020 -0.0017 0.0021 4017 HIS 42 NE2 0.0017 -0.0017 0.0021 4018 HIS 42 H 0.0022 -0.0007 0.0019 4019 HIS 42 HA 0.0021 -0.0013 0.0020 4020 HIS 42 HB2 0.0023 -0.0010 0.0020 4021 HIS 42 HB3 0.0019 -0.0009 0.0019 4022 HIS 42 HD2 0.0015 -0.0014 0.0020 4023 HIS 42 HE1 0.0022 -0.0018 0.0021 4024 HIS 42 HE2 0.0016 -0.0018 0.0021 4025 VAL 43 N 0.0009 -0.0024 0.0004 4026 VAL 43 CA 0.0001 -0.0025 -0.0000 4027 VAL 43 C -0.0007 -0.0029 -0.0007 4028 VAL 43 O -0.0007 -0.0037 -0.0008 4029 VAL 43 CB 0.0005 -0.0032 -0.0000 4030 VAL 43 CG1 0.0010 -0.0043 -0.0001 4031 VAL 43 CG2 -0.0003 -0.0034 -0.0005 4032 VAL 43 H 0.0011 -0.0030 0.0004 4033 VAL 43 HA -0.0001 -0.0017 0.0001 4034 VAL 43 HB 0.0011 -0.0029 0.0004 4035 VAL 43 HG11 0.0016 -0.0042 0.0003 4036 VAL 43 HG12 0.0011 -0.0048 -0.0001 4037 VAL 43 HG13 0.0005 -0.0046 -0.0004 4038 VAL 43 HG21 -0.0006 -0.0026 -0.0005 4039 VAL 43 HG22 -0.0008 -0.0037 -0.0010 4040 VAL 43 HG23 0.0000 -0.0038 -0.0005 4041 GLU 44 N -0.0015 -0.0022 -0.0009 4042 GLU 44 CA -0.0024 -0.0024 -0.0015 4043 GLU 44 C -0.0028 -0.0034 -0.0020 4044 GLU 44 O -0.0030 -0.0035 -0.0022 4045 GLU 44 CB -0.0032 -0.0014 -0.0017 4046 GLU 44 CG -0.0031 -0.0005 -0.0014 4047 GLU 44 CD -0.0036 0.0005 -0.0014 4048 GLU 44 OE1 -0.0032 0.0010 -0.0010 4049 GLU 44 OE2 -0.0044 0.0008 -0.0018 4050 GLU 44 H -0.0015 -0.0016 -0.0008 4051 GLU 44 HA -0.0024 -0.0025 -0.0015 4052 GLU 44 HB2 -0.0031 -0.0012 -0.0016 4053 GLU 44 HB3 -0.0039 -0.0017 -0.0022 4054 GLU 44 HG2 -0.0033 -0.0006 -0.0015 4055 GLU 44 HG3 -0.0023 -0.0004 -0.0009 4056 ASP 45 N -0.0028 -0.0042 -0.0023 4057 ASP 45 CA -0.0031 -0.0052 -0.0027 4058 ASP 45 C -0.0042 -0.0051 -0.0033 4059 ASP 45 O -0.0046 -0.0058 -0.0038 4060 ASP 45 CB -0.0027 -0.0061 -0.0027 4061 ASP 45 CG -0.0029 -0.0058 -0.0028 4062 ASP 45 OD1 -0.0026 -0.0050 -0.0024 4063 ASP 45 OD2 -0.0034 -0.0064 -0.0032 4064 ASP 45 H -0.0026 -0.0041 -0.0021 4065 ASP 45 HA -0.0028 -0.0054 -0.0026 4066 ASP 45 HB2 -0.0029 -0.0068 -0.0031 4067 ASP 45 HB3 -0.0019 -0.0062 -0.0023 4068 GLY 46 N -0.0047 -0.0043 -0.0034 4069 GLY 46 CA -0.0057 -0.0041 -0.0039 4070 GLY 46 C -0.0061 -0.0041 -0.0042 4071 GLY 46 O -0.0070 -0.0040 -0.0047 4072 GLY 46 H -0.0043 -0.0038 -0.0030 4073 GLY 46 HA2 -0.0059 -0.0048 -0.0043 4074 GLY 46 HA3 -0.0059 -0.0034 -0.0039 4075 GLY 47 N -0.0055 -0.0042 -0.0039 4076 GLY 47 CA -0.0059 -0.0042 -0.0041 4077 GLY 47 C -0.0052 -0.0039 -0.0036 4078 GLY 47 O -0.0050 -0.0046 -0.0037 4079 GLY 47 H -0.0048 -0.0042 -0.0035 4080 GLY 47 HA2 -0.0061 -0.0049 -0.0044 4081 GLY 47 HA3 -0.0065 -0.0036 -0.0043 4082 PRO 48 N -0.0048 -0.0030 -0.0031 4083 PRO 48 CA -0.0041 -0.0027 -0.0026 4084 PRO 48 C -0.0032 -0.0035 -0.0023 4085 PRO 48 O -0.0032 -0.0044 -0.0026 4086 PRO 48 CB -0.0039 -0.0016 -0.0022 4087 PRO 48 CG -0.0048 -0.0012 -0.0026 4088 PRO 48 CD -0.0050 -0.0022 -0.0030 4089 PRO 48 HA -0.0045 -0.0026 -0.0028 4090 PRO 48 HB2 -0.0033 -0.0018 -0.0019 4091 PRO 48 HB3 -0.0038 -0.0011 -0.0020 4092 PRO 48 HG2 -0.0046 -0.0006 -0.0023 4093 PRO 48 HG3 -0.0054 -0.0009 -0.0028 4094 PRO 48 HD2 -0.0046 -0.0023 -0.0028 4095 PRO 48 HD3 -0.0058 -0.0021 -0.0034 4096 ALA 49 N -0.0023 -0.0022 -0.0018 4097 ALA 49 CA -0.0014 -0.0027 -0.0015 4098 ALA 49 C -0.0012 -0.0037 -0.0018 4099 ALA 49 O -0.0008 -0.0043 -0.0018 4100 ALA 49 CB -0.0008 -0.0021 -0.0009 4101 ALA 49 H -0.0024 -0.0015 -0.0016 4102 ALA 49 HA -0.0013 -0.0028 -0.0015 4103 ALA 49 HB1 -0.0003 -0.0020 -0.0006 4104 ALA 49 HB2 -0.0004 -0.0023 -0.0008 4105 ALA 49 HB3 -0.0012 -0.0014 -0.0008 4106 SER 50 N -0.0016 -0.0037 -0.0020 4107 SER 50 CA -0.0014 -0.0046 -0.0023 4108 SER 50 C -0.0017 -0.0054 -0.0028 4109 SER 50 O -0.0012 -0.0061 -0.0027 4110 SER 50 CB -0.0019 -0.0045 -0.0025 4111 SER 50 OG -0.0013 -0.0043 -0.0021 4112 SER 50 H -0.0020 -0.0032 -0.0020 4113 SER 50 HA -0.0007 -0.0048 -0.0019 4114 SER 50 HB2 -0.0024 -0.0039 -0.0025 4115 SER 50 HB3 -0.0021 -0.0051 -0.0029 4116 SER 50 HG -0.0016 -0.0040 -0.0021 4117 GLU 51 N -0.0026 -0.0053 -0.0032 4118 GLU 51 CA -0.0029 -0.0060 -0.0037 4119 GLU 51 C -0.0025 -0.0062 -0.0036 4120 GLU 51 O -0.0025 -0.0070 -0.0038 4121 GLU 51 CB -0.0039 -0.0058 -0.0042 4122 GLU 51 CG -0.0044 -0.0055 -0.0043 4123 GLU 51 CD -0.0052 -0.0058 -0.0049 4124 GLU 51 OE1 -0.0058 -0.0057 -0.0052 4125 GLU 51 OE2 -0.0053 -0.0062 -0.0051 4126 GLU 51 H -0.0029 -0.0047 -0.0032 4127 GLU 51 HA -0.0028 -0.0067 -0.0039 4128 GLU 51 HB2 -0.0041 -0.0052 -0.0040 4129 GLU 51 HB3 -0.0042 -0.0063 -0.0046 4130 GLU 51 HG2 -0.0039 -0.0058 -0.0041 4131 GLU 51 HG3 -0.0045 -0.0047 -0.0040 4132 ALA 52 N -0.0023 -0.0055 -0.0031 4133 ALA 52 CA -0.0019 -0.0055 -0.0029 4134 ALA 52 C -0.0010 -0.0062 -0.0027 4135 ALA 52 O -0.0007 -0.0067 -0.0027 4136 ALA 52 CB -0.0017 -0.0045 -0.0024 4137 ALA 52 H -0.0024 -0.0049 -0.0029 4138 ALA 52 HA -0.0023 -0.0057 -0.0032 4139 ALA 52 HB1 -0.0023 -0.0040 -0.0025 4140 ALA 52 HB2 -0.0016 -0.0045 -0.0023 4141 ALA 52 HB3 -0.0011 -0.0044 -0.0020 4142 GLY 53 N -0.0006 -0.0063 -0.0025 4143 GLY 53 CA 0.0003 -0.0070 -0.0023 4144 GLY 53 C 0.0010 -0.0066 -0.0017 4145 GLY 53 O 0.0017 -0.0071 -0.0016 4146 GLY 53 H -0.0008 -0.0060 -0.0025 4147 GLY 53 HA2 0.0001 -0.0076 -0.0026 4148 GLY 53 HA3 0.0005 -0.0072 -0.0022 4149 LEU 54 N 0.0008 -0.0057 -0.0015 4150 LEU 54 CA 0.0014 -0.0052 -0.0009 4151 LEU 54 C 0.0015 -0.0055 -0.0010 4152 LEU 54 O 0.0009 -0.0054 -0.0013 4153 LEU 54 CB 0.0012 -0.0041 -0.0006 4154 LEU 54 CG 0.0019 -0.0036 0.0000 4155 LEU 54 CD1 0.0016 -0.0025 0.0002 4156 LEU 54 CD2 0.0026 -0.0039 0.0003 4157 LEU 54 H 0.0002 -0.0053 -0.0016 4158 LEU 54 HA 0.0020 -0.0054 -0.0007 4159 LEU 54 HB2 0.0007 -0.0040 -0.0008 4160 LEU 54 HB3 0.0008 -0.0039 -0.0008 4161 LEU 54 HG 0.0023 -0.0038 0.0001 4162 LEU 54 HD11 0.0012 -0.0024 0.0001 4163 LEU 54 HD12 0.0022 -0.0022 0.0007 4164 LEU 54 HD13 0.0012 -0.0024 0.0001 4165 LEU 54 HD21 0.0022 -0.0036 0.0002 4166 LEU 54 HD22 0.0031 -0.0036 0.0007 4167 LEU 54 HD23 0.0027 -0.0046 0.0001 4168 ARG 55 N 0.0018 -0.0027 0.0018 4169 ARG 55 CA 0.0018 -0.0028 0.0017 4170 ARG 55 C 0.0019 -0.0028 0.0017 4171 ARG 55 O 0.0020 -0.0027 0.0017 4172 ARG 55 CB 0.0019 -0.0029 0.0016 4173 ARG 55 CG 0.0021 -0.0028 0.0016 4174 ARG 55 CD 0.0022 -0.0029 0.0015 4175 ARG 55 NE 0.0023 -0.0030 0.0014 4176 ARG 55 CZ 0.0024 -0.0031 0.0014 4177 ARG 55 NH1 0.0025 -0.0030 0.0013 4178 ARG 55 NH2 0.0024 -0.0032 0.0013 4179 ARG 55 H 0.0018 -0.0026 0.0018 4180 ARG 55 HA 0.0017 -0.0029 0.0017 4181 ARG 55 HB2 0.0019 -0.0030 0.0016 4182 ARG 55 HB3 0.0019 -0.0029 0.0016 4183 ARG 55 HG2 0.0021 -0.0028 0.0016 4184 ARG 55 HG3 0.0021 -0.0027 0.0016 4185 ARG 55 HD2 0.0023 -0.0028 0.0015 4186 ARG 55 HD3 0.0022 -0.0029 0.0015 4187 ARG 55 HE 0.0022 -0.0031 0.0014 4188 ARG 55 HH11 0.0024 -0.0029 0.0014 4189 ARG 55 HH12 0.0025 -0.0031 0.0013 4190 ARG 55 HH21 0.0023 -0.0033 0.0013 4191 ARG 55 HH22 0.0025 -0.0033 0.0012 4192 GLN 56 N 0.0018 -0.0029 0.0017 4193 GLN 56 CA 0.0019 -0.0029 0.0017 4194 GLN 56 C 0.0021 -0.0029 0.0016 4195 GLN 56 O 0.0021 -0.0030 0.0015 4196 GLN 56 CB 0.0018 -0.0030 0.0017 4197 GLN 56 CG 0.0018 -0.0030 0.0016 4198 GLN 56 CD 0.0017 -0.0031 0.0017 4199 GLN 56 OE1 0.0016 -0.0031 0.0017 4200 GLN 56 NE2 0.0018 -0.0032 0.0016 4201 GLN 56 H 0.0017 -0.0030 0.0017 4202 GLN 56 HA 0.0019 -0.0028 0.0017 4203 GLN 56 HB2 0.0017 -0.0030 0.0017 4204 GLN 56 HB3 0.0018 -0.0032 0.0016 4205 GLN 56 HG2 0.0019 -0.0031 0.0016 4206 GLN 56 HG3 0.0018 -0.0029 0.0017 4207 GLN 56 HE21 0.0019 -0.0032 0.0016 4208 GLN 56 HE22 0.0017 -0.0032 0.0016 4209 GLY 57 N 0.0022 -0.0028 0.0016 4210 GLY 57 CA 0.0023 -0.0028 0.0015 4211 GLY 57 C 0.0024 -0.0027 0.0015 4212 GLY 57 O 0.0025 -0.0028 0.0014 4213 GLY 57 H 0.0021 -0.0027 0.0016 4214 GLY 57 HA2 0.0024 -0.0028 0.0015 4215 GLY 57 HA3 0.0023 -0.0029 0.0014 4216 ASP 58 N 0.0024 -0.0025 0.0015 4217 ASP 58 CA 0.0025 -0.0024 0.0015 4218 ASP 58 C 0.0025 -0.0022 0.0016 4219 ASP 58 O 0.0024 -0.0022 0.0016 4220 ASP 58 CB 0.0023 -0.0024 0.0016 4221 ASP 58 CG 0.0024 -0.0024 0.0016 4222 ASP 58 OD1 0.0025 -0.0023 0.0015 4223 ASP 58 OD2 0.0024 -0.0024 0.0016 4224 ASP 58 H 0.0023 -0.0025 0.0016 4225 ASP 58 HA 0.0026 -0.0025 0.0015 4226 ASP 58 HB2 0.0022 -0.0025 0.0016 4227 ASP 58 HB3 0.0023 -0.0023 0.0017 4228 LEU 59 N 0.0026 -0.0022 0.0015 4229 LEU 59 CA 0.0027 -0.0020 0.0015 4230 LEU 59 C 0.0026 -0.0019 0.0016 4231 LEU 59 O 0.0026 -0.0019 0.0016 4232 LEU 59 CB 0.0029 -0.0020 0.0015 4233 LEU 59 CG 0.0030 -0.0018 0.0015 4234 LEU 59 CD1 0.0030 -0.0017 0.0015 4235 LEU 59 CD2 0.0031 -0.0018 0.0014 4236 LEU 59 H 0.0027 -0.0022 0.0015 4237 LEU 59 HA 0.0027 -0.0020 0.0016 4238 LEU 59 HB2 0.0029 -0.0020 0.0014 4239 LEU 59 HB3 0.0029 -0.0020 0.0014 4240 LEU 59 HG 0.0029 -0.0017 0.0016 4241 LEU 59 HD11 0.0029 -0.0017 0.0016 4242 LEU 59 HD12 0.0030 -0.0016 0.0015 4243 LEU 59 HD13 0.0030 -0.0018 0.0014 4244 LEU 59 HD21 0.0032 -0.0019 0.0014 4245 LEU 59 HD22 0.0032 -0.0016 0.0014 4246 LEU 59 HD23 0.0031 -0.0018 0.0014 4247 ILE 60 N 0.0026 -0.0017 0.0017 4248 ILE 60 CA 0.0025 -0.0016 0.0018 4249 ILE 60 C 0.0026 -0.0014 0.0017 4250 ILE 60 O 0.0027 -0.0014 0.0017 4251 ILE 60 CB 0.0024 -0.0015 0.0018 4252 ILE 60 CG1 0.0022 -0.0017 0.0019 4253 ILE 60 CG2 0.0023 -0.0014 0.0019 4254 ILE 60 CD1 0.0022 -0.0018 0.0018 4255 ILE 60 H 0.0026 -0.0017 0.0017 4256 ILE 60 HA 0.0025 -0.0016 0.0018 4257 ILE 60 HB 0.0024 -0.0015 0.0018 4258 ILE 60 HG12 0.0021 -0.0016 0.0019 4259 ILE 60 HG13 0.0022 -0.0017 0.0019 4260 ILE 60 HG21 0.0022 -0.0013 0.0020 4261 ILE 60 HG22 0.0023 -0.0014 0.0019 4262 ILE 60 HG23 0.0024 -0.0013 0.0019 4263 ILE 60 HD11 0.0021 -0.0019 0.0018 4264 ILE 60 HD12 0.0023 -0.0018 0.0018 4265 ILE 60 HD13 0.0023 -0.0019 0.0017 4266 THR 61 N 0.0038 -0.0019 0.0027 4267 THR 61 CA 0.0042 -0.0019 0.0030 4268 THR 61 C 0.0040 -0.0017 0.0030 4269 THR 61 O 0.0042 -0.0014 0.0032 4270 THR 61 CB 0.0044 -0.0025 0.0030 4271 THR 61 OG1 0.0041 -0.0028 0.0027 4272 THR 61 CG2 0.0045 -0.0028 0.0030 4273 THR 61 H 0.0037 -0.0021 0.0025 4274 THR 61 HA 0.0044 -0.0017 0.0033 4275 THR 61 HB 0.0047 -0.0025 0.0033 4276 THR 61 HG1 0.0041 -0.0027 0.0027 4277 THR 61 HG21 0.0042 -0.0027 0.0028 4278 THR 61 HG22 0.0047 -0.0026 0.0033 4279 THR 61 HG23 0.0047 -0.0032 0.0030 4280 HIS 62 N 0.0036 -0.0018 0.0026 4281 HIS 62 CA 0.0034 -0.0016 0.0025 4282 HIS 62 C 0.0029 -0.0013 0.0021 4283 HIS 62 O 0.0028 -0.0015 0.0019 4284 HIS 62 CB 0.0035 -0.0020 0.0024 4285 HIS 62 CG 0.0039 -0.0022 0.0027 4286 HIS 62 ND1 0.0042 -0.0026 0.0028 4287 HIS 62 CD2 0.0042 -0.0020 0.0030 4288 HIS 62 CE1 0.0046 -0.0027 0.0031 4289 HIS 62 NE2 0.0045 -0.0024 0.0032 4290 HIS 62 H 0.0035 -0.0020 0.0024 4291 HIS 62 HA 0.0035 -0.0012 0.0027 4292 HIS 62 HB2 0.0034 -0.0023 0.0021 4293 HIS 62 HB3 0.0033 -0.0019 0.0022 4294 HIS 62 HD2 0.0040 -0.0017 0.0030 4295 HIS 62 HE1 0.0048 -0.0030 0.0032 4296 HIS 62 HE2 0.0048 -0.0024 0.0034 4297 VAL 63 N 0.0027 -0.0010 0.0020 4298 VAL 63 CA 0.0023 -0.0008 0.0017 4299 VAL 63 C 0.0021 -0.0007 0.0015 4300 VAL 63 O 0.0022 -0.0004 0.0017 4301 VAL 63 CB 0.0022 -0.0002 0.0018 4302 VAL 63 CG1 0.0024 0.0002 0.0021 4303 VAL 63 CG2 0.0017 -0.0000 0.0014 4304 VAL 63 H 0.0029 -0.0009 0.0022 4305 VAL 63 HA 0.0022 -0.0011 0.0015 4306 VAL 63 HB 0.0023 -0.0003 0.0019 4307 VAL 63 HG11 0.0027 0.0000 0.0024 4308 VAL 63 HG12 0.0023 0.0005 0.0022 4309 VAL 63 HG13 0.0022 0.0003 0.0020 4310 VAL 63 HG21 0.0016 -0.0002 0.0013 4311 VAL 63 HG22 0.0016 -0.0002 0.0012 4312 VAL 63 HG23 0.0016 0.0004 0.0015 4313 ASN 64 N 0.0019 -0.0011 0.0012 4314 ASN 64 CA 0.0017 -0.0011 0.0010 4315 ASN 64 C 0.0020 -0.0012 0.0013 4316 ASN 64 O 0.0019 -0.0010 0.0013 4317 ASN 64 CB 0.0014 -0.0005 0.0009 4318 ASN 64 CG 0.0010 -0.0006 0.0005 4319 ASN 64 OD1 0.0008 -0.0010 0.0002 4320 ASN 64 ND2 0.0008 -0.0002 0.0005 4321 ASN 64 H 0.0018 -0.0013 0.0011 4322 ASN 64 HA 0.0015 -0.0014 0.0007 4323 ASN 64 HB2 0.0013 -0.0003 0.0009 4324 ASN 64 HB3 0.0015 -0.0003 0.0011 4325 ASN 64 HD21 0.0009 0.0001 0.0007 4326 ASN 64 HD22 0.0005 -0.0002 0.0002 4327 GLY 65 N 0.0024 -0.0015 0.0015 4328 GLY 65 CA 0.0027 -0.0017 0.0017 4329 GLY 65 C 0.0029 -0.0012 0.0021 4330 GLY 65 O 0.0030 -0.0011 0.0022 4331 GLY 65 H 0.0024 -0.0017 0.0015 4332 GLY 65 HA2 0.0029 -0.0020 0.0018 4333 GLY 65 HA3 0.0026 -0.0017 0.0016 4334 GLU 66 N 0.0030 -0.0010 0.0023 4335 GLU 66 CA 0.0032 -0.0005 0.0026 4336 GLU 66 C 0.0034 -0.0005 0.0028 4337 GLU 66 O 0.0032 -0.0004 0.0027 4338 GLU 66 CB 0.0028 -0.0000 0.0025 4339 GLU 66 CG 0.0030 0.0005 0.0028 4340 GLU 66 CD 0.0033 0.0003 0.0030 4341 GLU 66 OE1 0.0031 0.0003 0.0029 4342 GLU 66 OE2 0.0037 0.0003 0.0034 4343 GLU 66 H 0.0029 -0.0011 0.0021 4344 GLU 66 HA 0.0034 -0.0006 0.0028 4345 GLU 66 HB2 0.0026 -0.0001 0.0022 4346 GLU 66 HB3 0.0027 0.0001 0.0024 4347 GLU 66 HG2 0.0027 0.0008 0.0027 4348 GLU 66 HG3 0.0032 0.0006 0.0030 4349 PRO 67 N 0.0040 0.0005 0.0023 4350 PRO 67 CA 0.0042 0.0004 0.0023 4351 PRO 67 C 0.0041 0.0006 0.0024 4352 PRO 67 O 0.0041 0.0008 0.0025 4353 PRO 67 CB 0.0045 0.0005 0.0024 4354 PRO 67 CG 0.0045 0.0006 0.0025 4355 PRO 67 CD 0.0042 0.0006 0.0024 4356 PRO 67 HA 0.0042 0.0002 0.0022 4357 PRO 67 HB2 0.0046 0.0006 0.0025 4358 PRO 67 HB3 0.0046 0.0003 0.0024 4359 PRO 67 HG2 0.0045 0.0008 0.0026 4360 PRO 67 HG3 0.0046 0.0006 0.0025 4361 PRO 67 HD2 0.0041 0.0007 0.0024 4362 PRO 67 HD3 0.0042 0.0004 0.0023 4363 VAL 68 N 0.0041 0.0004 0.0023 4364 VAL 68 CA 0.0040 0.0005 0.0023 4365 VAL 68 C 0.0043 0.0006 0.0024 4366 VAL 68 O 0.0043 0.0008 0.0025 4367 VAL 68 CB 0.0038 0.0004 0.0022 4368 VAL 68 CG1 0.0036 0.0003 0.0021 4369 VAL 68 CG2 0.0040 0.0001 0.0022 4370 VAL 68 H 0.0041 0.0002 0.0022 4371 VAL 68 HA 0.0039 0.0007 0.0024 4372 VAL 68 HB 0.0038 0.0005 0.0022 4373 VAL 68 HG11 0.0036 0.0002 0.0021 4374 VAL 68 HG12 0.0034 0.0005 0.0022 4375 VAL 68 HG13 0.0035 0.0001 0.0020 4376 VAL 68 HG21 0.0042 0.0002 0.0022 4377 VAL 68 HG22 0.0041 -0.0000 0.0021 4378 VAL 68 HG23 0.0039 -0.0000 0.0021 4379 HIS 69 N 0.0045 0.0005 0.0024 4380 HIS 69 CA 0.0048 0.0005 0.0025 4381 HIS 69 C 0.0048 0.0008 0.0026 4382 HIS 69 O 0.0049 0.0009 0.0027 4383 HIS 69 CB 0.0050 0.0004 0.0025 4384 HIS 69 CG 0.0050 0.0001 0.0024 4385 HIS 69 ND1 0.0052 -0.0001 0.0024 4386 HIS 69 CD2 0.0048 -0.0001 0.0023 4387 HIS 69 CE1 0.0052 -0.0003 0.0023 4388 HIS 69 NE2 0.0049 -0.0003 0.0022 4389 HIS 69 H 0.0045 0.0004 0.0024 4390 HIS 69 HA 0.0048 0.0004 0.0025 4391 HIS 69 HB2 0.0049 0.0004 0.0025 4392 HIS 69 HB3 0.0052 0.0004 0.0026 4393 HIS 69 HD2 0.0046 -0.0000 0.0022 4394 HIS 69 HE1 0.0053 -0.0005 0.0022 4395 HIS 69 HE2 0.0048 -0.0005 0.0021 4396 GLY 70 N 0.0048 0.0009 0.0027 4397 GLY 70 CA 0.0048 0.0012 0.0028 4398 GLY 70 C 0.0046 0.0014 0.0028 4399 GLY 70 O 0.0046 0.0016 0.0029 4400 GLY 70 H 0.0047 0.0008 0.0026 4401 GLY 70 HA2 0.0050 0.0012 0.0028 4402 GLY 70 HA3 0.0049 0.0013 0.0029 4403 LEU 71 N 0.0043 0.0013 0.0027 4404 LEU 71 CA 0.0041 0.0014 0.0027 4405 LEU 71 C 0.0040 0.0015 0.0027 4406 LEU 71 O 0.0041 0.0013 0.0026 4407 LEU 71 CB 0.0038 0.0013 0.0026 4408 LEU 71 CG 0.0038 0.0013 0.0026 4409 LEU 71 CD1 0.0035 0.0012 0.0025 4410 LEU 71 CD2 0.0038 0.0016 0.0027 4411 LEU 71 H 0.0043 0.0011 0.0026 4412 LEU 71 HA 0.0041 0.0016 0.0028 4413 LEU 71 HB2 0.0038 0.0011 0.0025 4414 LEU 71 HB3 0.0036 0.0014 0.0026 4415 LEU 71 HG 0.0040 0.0012 0.0026 4416 LEU 71 HD11 0.0035 0.0012 0.0025 4417 LEU 71 HD12 0.0034 0.0013 0.0025 4418 LEU 71 HD13 0.0035 0.0010 0.0024 4419 LEU 71 HD21 0.0040 0.0017 0.0028 4420 LEU 71 HD22 0.0037 0.0017 0.0027 4421 LEU 71 HD23 0.0038 0.0016 0.0027 4422 VAL 72 N 0.0039 0.0017 0.0027 4423 VAL 72 CA 0.0038 0.0017 0.0027 4424 VAL 72 C 0.0035 0.0016 0.0026 4425 VAL 72 O 0.0034 0.0015 0.0025 4426 VAL 72 CB 0.0037 0.0020 0.0028 4427 VAL 72 CG1 0.0034 0.0021 0.0028 4428 VAL 72 CG2 0.0039 0.0021 0.0029 4429 VAL 72 H 0.0038 0.0018 0.0028 4430 VAL 72 HA 0.0040 0.0016 0.0028 4431 VAL 72 HB 0.0038 0.0021 0.0029 4432 VAL 72 HG11 0.0033 0.0020 0.0028 4433 VAL 72 HG12 0.0033 0.0020 0.0027 4434 VAL 72 HG13 0.0034 0.0023 0.0029 4435 VAL 72 HG21 0.0038 0.0023 0.0030 4436 VAL 72 HG22 0.0041 0.0020 0.0029 4437 VAL 72 HG23 0.0038 0.0019 0.0028 4438 HIS 73 N 0.0038 0.0026 0.0018 4439 HIS 73 CA 0.0034 0.0022 0.0017 4440 HIS 73 C 0.0029 0.0024 0.0017 4441 HIS 73 O 0.0026 0.0021 0.0016 4442 HIS 73 CB 0.0034 0.0023 0.0017 4443 HIS 73 CG 0.0030 0.0019 0.0016 4444 HIS 73 ND1 0.0031 0.0014 0.0015 4445 HIS 73 CD2 0.0025 0.0020 0.0016 4446 HIS 73 CE1 0.0026 0.0012 0.0015 4447 HIS 73 NE2 0.0023 0.0016 0.0015 4448 HIS 73 H 0.0041 0.0027 0.0018 4449 HIS 73 HA 0.0035 0.0019 0.0016 4450 HIS 73 HB2 0.0038 0.0021 0.0017 4451 HIS 73 HB3 0.0033 0.0027 0.0018 4452 HIS 73 HD1 0.0034 0.0012 0.0015 4453 HIS 73 HD2 0.0024 0.0024 0.0017 4454 HIS 73 HE1 0.0026 0.0008 0.0014 4455 THR 74 N 0.0027 0.0029 0.0018 4456 THR 74 CA 0.0022 0.0031 0.0018 4457 THR 74 C 0.0021 0.0032 0.0018 4458 THR 74 O 0.0017 0.0033 0.0018 4459 THR 74 CB 0.0021 0.0036 0.0019 4460 THR 74 OG1 0.0024 0.0040 0.0020 4461 THR 74 CG2 0.0023 0.0035 0.0019 4462 THR 74 H 0.0030 0.0031 0.0019 4463 THR 74 HA 0.0019 0.0028 0.0017 4464 THR 74 HB 0.0017 0.0037 0.0019 4465 THR 74 HG1 0.0022 0.0043 0.0020 4466 THR 74 HG21 0.0020 0.0033 0.0018 4467 THR 74 HG22 0.0024 0.0039 0.0020 4468 THR 74 HG23 0.0027 0.0033 0.0019 4469 GLU 75 N 0.0026 0.0032 0.0019 4470 GLU 75 CA 0.0025 0.0033 0.0019 4471 GLU 75 C 0.0023 0.0029 0.0018 4472 GLU 75 O 0.0019 0.0029 0.0018 4473 GLU 75 CB 0.0030 0.0035 0.0019 4474 GLU 75 CG 0.0032 0.0040 0.0021 4475 GLU 75 CD 0.0037 0.0042 0.0021 4476 GLU 75 OE1 0.0041 0.0041 0.0021 4477 GLU 75 OE2 0.0036 0.0044 0.0022 4478 GLU 75 H 0.0029 0.0032 0.0019 4479 GLU 75 HA 0.0022 0.0037 0.0019 4480 GLU 75 HB2 0.0034 0.0032 0.0019 4481 GLU 75 HB3 0.0030 0.0034 0.0019 4482 GLU 75 HG2 0.0028 0.0043 0.0021 4483 GLU 75 HG3 0.0032 0.0041 0.0021 4484 VAL 76 N 0.0024 0.0024 0.0017 4485 VAL 76 CA 0.0022 0.0019 0.0016 4486 VAL 76 C 0.0016 0.0019 0.0015 4487 VAL 76 O 0.0013 0.0018 0.0015 4488 VAL 76 CB 0.0025 0.0014 0.0015 4489 VAL 76 CG1 0.0031 0.0014 0.0015 4490 VAL 76 CG2 0.0026 0.0013 0.0015 4491 VAL 76 H 0.0027 0.0024 0.0017 4492 VAL 76 HA 0.0023 0.0020 0.0016 4493 VAL 76 HB 0.0023 0.0011 0.0014 4494 VAL 76 HG11 0.0033 0.0017 0.0016 4495 VAL 76 HG12 0.0030 0.0015 0.0015 4496 VAL 76 HG13 0.0033 0.0010 0.0015 4497 VAL 76 HG21 0.0025 0.0017 0.0015 4498 VAL 76 HG22 0.0029 0.0012 0.0015 4499 VAL 76 HG23 0.0022 0.0011 0.0014 4500 VAL 77 N 0.0015 0.0020 0.0015 4501 VAL 77 CA 0.0010 0.0020 0.0015 4502 VAL 77 C 0.0006 0.0024 0.0016 4503 VAL 77 O 0.0002 0.0022 0.0015 4504 VAL 77 CB 0.0010 0.0021 0.0015 4505 VAL 77 CG1 0.0004 0.0021 0.0015 4506 VAL 77 CG2 0.0013 0.0018 0.0015 4507 VAL 77 H 0.0018 0.0020 0.0016 4508 VAL 77 HA 0.0008 0.0016 0.0014 4509 VAL 77 HB 0.0011 0.0025 0.0016 4510 VAL 77 HG11 0.0004 0.0022 0.0015 4511 VAL 77 HG12 0.0003 0.0017 0.0014 4512 VAL 77 HG13 0.0002 0.0024 0.0015 4513 VAL 77 HG21 0.0018 0.0018 0.0015 4514 VAL 77 HG22 0.0013 0.0014 0.0014 4515 VAL 77 HG23 0.0013 0.0018 0.0015 4516 GLU 78 N 0.0008 0.0028 0.0017 4517 GLU 78 CA 0.0006 0.0032 0.0017 4518 GLU 78 C 0.0005 0.0031 0.0017 4519 GLU 78 O 0.0001 0.0032 0.0017 4520 GLU 78 CB 0.0009 0.0037 0.0018 4521 GLU 78 CG 0.0008 0.0040 0.0019 4522 GLU 78 CD 0.0008 0.0046 0.0020 4523 GLU 78 OE1 0.0005 0.0049 0.0020 4524 GLU 78 OE2 0.0012 0.0048 0.0021 4525 GLU 78 H 0.0012 0.0029 0.0017 4526 GLU 78 HA 0.0002 0.0033 0.0017 4527 GLU 78 HB2 0.0013 0.0037 0.0019 4528 GLU 78 HB3 0.0007 0.0040 0.0019 4529 GLU 78 HG2 0.0003 0.0040 0.0019 4530 GLU 78 HG3 0.0010 0.0039 0.0019 4531 LEU 79 N 0.0008 0.0035 0.0021 4532 LEU 79 CA 0.0009 0.0031 0.0020 4533 LEU 79 C 0.0003 0.0026 0.0016 4534 LEU 79 O -0.0000 0.0025 0.0015 4535 LEU 79 CB 0.0016 0.0026 0.0021 4536 LEU 79 CG 0.0020 0.0026 0.0023 4537 LEU 79 CD1 0.0016 0.0024 0.0021 4538 LEU 79 CD2 0.0022 0.0034 0.0026 4539 LEU 79 H 0.0012 0.0035 0.0023 4540 LEU 79 HA 0.0008 0.0034 0.0021 4541 LEU 79 HB2 0.0019 0.0028 0.0023 4542 LEU 79 HB3 0.0015 0.0021 0.0019 4543 LEU 79 HG 0.0024 0.0023 0.0024 4544 LEU 79 HD11 0.0014 0.0019 0.0018 4545 LEU 79 HD12 0.0019 0.0024 0.0022 4546 LEU 79 HD13 0.0011 0.0028 0.0020 4547 LEU 79 HD21 0.0017 0.0037 0.0025 4548 LEU 79 HD22 0.0025 0.0033 0.0027 4549 LEU 79 HD23 0.0025 0.0035 0.0028 4550 ILE 80 N 0.0002 0.0023 0.0015 4551 ILE 80 CA -0.0004 0.0018 0.0011 4552 ILE 80 C -0.0011 0.0023 0.0010 4553 ILE 80 O -0.0015 0.0020 0.0007 4554 ILE 80 CB -0.0003 0.0015 0.0010 4555 ILE 80 CG1 0.0003 0.0009 0.0011 4556 ILE 80 CG2 -0.0010 0.0012 0.0007 4557 ILE 80 CD1 0.0006 0.0008 0.0012 4558 ILE 80 H 0.0004 0.0024 0.0016 4559 ILE 80 HA -0.0003 0.0014 0.0010 4560 ILE 80 HB -0.0003 0.0019 0.0012 4561 ILE 80 HG12 0.0002 0.0005 0.0009 4562 ILE 80 HG13 0.0007 0.0011 0.0013 4563 ILE 80 HG21 -0.0011 0.0009 0.0005 4564 ILE 80 HG22 -0.0014 0.0016 0.0006 4565 ILE 80 HG23 -0.0009 0.0008 0.0006 4566 ILE 80 HD11 0.0011 0.0005 0.0013 4567 ILE 80 HD12 0.0002 0.0006 0.0010 4568 ILE 80 HD13 0.0007 0.0013 0.0014 4569 LEU 81 N -0.0012 0.0029 0.0011 4570 LEU 81 CA -0.0019 0.0033 0.0010 4571 LEU 81 C -0.0020 0.0035 0.0010 4572 LEU 81 O -0.0025 0.0036 0.0008 4573 LEU 81 CB -0.0019 0.0039 0.0012 4574 LEU 81 CG -0.0018 0.0038 0.0012 4575 LEU 81 CD1 -0.0017 0.0044 0.0014 4576 LEU 81 CD2 -0.0024 0.0034 0.0008 4577 LEU 81 H -0.0009 0.0030 0.0013 4578 LEU 81 HA -0.0023 0.0030 0.0007 4579 LEU 81 HB2 -0.0015 0.0043 0.0014 4580 LEU 81 HB3 -0.0024 0.0042 0.0011 4581 LEU 81 HG -0.0013 0.0034 0.0012 4582 LEU 81 HD11 -0.0016 0.0043 0.0014 4583 LEU 81 HD12 -0.0021 0.0048 0.0014 4584 LEU 81 HD13 -0.0012 0.0047 0.0017 4585 LEU 81 HD21 -0.0028 0.0038 0.0007 4586 LEU 81 HD22 -0.0023 0.0033 0.0008 4587 LEU 81 HD23 -0.0024 0.0029 0.0007 4588 LYS 82 N -0.0014 0.0037 0.0013 4589 LYS 82 CA -0.0014 0.0040 0.0014 4590 LYS 82 C -0.0016 0.0034 0.0011 4591 LYS 82 O -0.0020 0.0036 0.0010 4592 LYS 82 CB -0.0007 0.0041 0.0017 4593 LYS 82 CG -0.0007 0.0046 0.0019 4594 LYS 82 CD 0.0000 0.0045 0.0021 4595 LYS 82 CE 0.0006 0.0047 0.0024 4596 LYS 82 NZ 0.0013 0.0046 0.0026 4597 LYS 82 H -0.0010 0.0037 0.0014 4598 LYS 82 HA -0.0017 0.0044 0.0014 4599 LYS 82 HB2 -0.0005 0.0043 0.0019 4600 LYS 82 HB3 -0.0004 0.0036 0.0017 4601 LYS 82 HG2 -0.0011 0.0045 0.0017 4602 LYS 82 HG3 -0.0007 0.0051 0.0020 4603 LYS 82 HD2 0.0001 0.0039 0.0020 4604 LYS 82 HD3 0.0000 0.0048 0.0022 4605 LYS 82 HE2 0.0005 0.0052 0.0025 4606 LYS 82 HE3 0.0007 0.0043 0.0023 4607 LYS 82 HZ1 0.0017 0.0047 0.0028 4608 LYS 82 HZ2 0.0012 0.0050 0.0027 4609 LYS 82 HZ3 0.0014 0.0041 0.0025 4610 SER 83 N -0.0014 0.0028 0.0010 4611 SER 83 CA -0.0016 0.0022 0.0007 4612 SER 83 C -0.0023 0.0022 0.0004 4613 SER 83 O -0.0026 0.0020 0.0003 4614 SER 83 CB -0.0013 0.0015 0.0006 4615 SER 83 OG -0.0014 0.0009 0.0004 4616 SER 83 H -0.0011 0.0026 0.0011 4617 SER 83 HA -0.0013 0.0022 0.0009 4618 SER 83 HB2 -0.0007 0.0015 0.0009 4619 SER 83 HB3 -0.0014 0.0014 0.0006 4620 SER 83 HG -0.0017 0.0006 0.0002 4621 GLY 84 N -0.0027 0.0024 0.0004 4622 GLY 84 CA -0.0035 0.0024 0.0001 4623 GLY 84 C -0.0038 0.0021 -0.0002 4624 GLY 84 O -0.0036 0.0023 -0.0000 4625 GLY 84 H -0.0025 0.0026 0.0005 4626 GLY 84 HA2 -0.0037 0.0030 0.0002 4627 GLY 84 HA3 -0.0036 0.0022 -0.0001 4628 ASN 85 N -0.0043 0.0022 -0.0009 4629 ASN 85 CA -0.0047 0.0019 -0.0013 4630 ASN 85 C -0.0043 0.0011 -0.0015 4631 ASN 85 O -0.0046 0.0007 -0.0019 4632 ASN 85 CB -0.0055 0.0018 -0.0018 4633 ASN 85 CG -0.0054 0.0013 -0.0021 4634 ASN 85 OD1 -0.0053 0.0005 -0.0024 4635 ASN 85 ND2 -0.0055 0.0016 -0.0019 4636 ASN 85 H -0.0043 0.0020 -0.0010 4637 ASN 85 HA -0.0048 0.0023 -0.0012 4638 ASN 85 HB2 -0.0058 0.0016 -0.0021 4639 ASN 85 HB3 -0.0058 0.0024 -0.0017 4640 ASN 85 HD21 -0.0056 0.0022 -0.0017 4641 ASN 85 HD22 -0.0055 0.0013 -0.0021 4642 LYS 86 N -0.0035 0.0009 -0.0011 4643 LYS 86 CA -0.0030 0.0001 -0.0012 4644 LYS 86 C -0.0022 0.0002 -0.0007 4645 LYS 86 O -0.0020 0.0007 -0.0003 4646 LYS 86 CB -0.0032 -0.0006 -0.0017 4647 LYS 86 CG -0.0032 -0.0005 -0.0017 4648 LYS 86 CD -0.0032 -0.0014 -0.0021 4649 LYS 86 CE -0.0032 -0.0013 -0.0020 4650 LYS 86 NZ -0.0025 -0.0010 -0.0015 4651 LYS 86 H -0.0033 0.0012 -0.0008 4652 LYS 86 HA -0.0031 0.0001 -0.0013 4653 LYS 86 HB2 -0.0027 -0.0011 -0.0017 4654 LYS 86 HB3 -0.0037 -0.0007 -0.0021 4655 LYS 86 HG2 -0.0038 -0.0001 -0.0018 4656 LYS 86 HG3 -0.0027 -0.0003 -0.0013 4657 LYS 86 HD2 -0.0026 -0.0018 -0.0020 4658 LYS 86 HD3 -0.0036 -0.0016 -0.0025 4659 LYS 86 HE2 -0.0031 -0.0019 -0.0023 4660 LYS 86 HE3 -0.0037 -0.0009 -0.0022 4661 LYS 86 HZ1 -0.0026 -0.0004 -0.0012 4662 LYS 86 HZ2 -0.0024 -0.0012 -0.0015 4663 LYS 86 HZ3 -0.0020 -0.0012 -0.0013 4664 VAL 87 N -0.0016 -0.0004 -0.0007 4665 VAL 87 CA -0.0008 -0.0005 -0.0002 4666 VAL 87 C -0.0003 -0.0013 -0.0003 4667 VAL 87 O -0.0005 -0.0017 -0.0006 4668 VAL 87 CB -0.0006 0.0002 0.0003 4669 VAL 87 CG1 -0.0006 0.0000 0.0002 4670 VAL 87 CG2 0.0002 0.0003 0.0008 4671 VAL 87 H -0.0018 -0.0009 -0.0010 4672 VAL 87 HA -0.0007 -0.0003 -0.0000 4673 VAL 87 HB -0.0010 0.0008 0.0003 4674 VAL 87 HG11 -0.0002 -0.0005 0.0001 4675 VAL 87 HG12 -0.0012 -0.0001 -0.0002 4676 VAL 87 HG13 -0.0005 0.0005 0.0005 4677 VAL 87 HG21 0.0006 -0.0002 0.0008 4678 VAL 87 HG22 0.0004 0.0007 0.0011 4679 VAL 87 HG23 0.0002 0.0006 0.0010 4680 ALA 88 N 0.0004 -0.0015 0.0000 4681 ALA 88 CA 0.0010 -0.0022 0.0000 4682 ALA 88 C 0.0016 -0.0021 0.0004 4683 ALA 88 O 0.0022 -0.0018 0.0009 4684 ALA 88 CB 0.0014 -0.0025 0.0001 4685 ALA 88 H 0.0005 -0.0011 0.0003 4686 ALA 88 HA 0.0007 -0.0027 -0.0004 4687 ALA 88 HB1 0.0010 -0.0027 -0.0002 4688 ALA 88 HB2 0.0019 -0.0030 0.0001 4689 ALA 88 HB3 0.0017 -0.0020 0.0005 4690 ILE 89 N 0.0015 -0.0023 0.0003 4691 ILE 89 CA 0.0020 -0.0022 0.0006 4692 ILE 89 C 0.0027 -0.0030 0.0006 4693 ILE 89 O 0.0026 -0.0036 0.0002 4694 ILE 89 CB 0.0016 -0.0020 0.0005 4695 ILE 89 CG1 0.0022 -0.0020 0.0008 4696 ILE 89 CG2 0.0011 -0.0026 -0.0001 4697 ILE 89 CD1 0.0018 -0.0016 0.0008 4698 ILE 89 H 0.0011 -0.0025 -0.0001 4699 ILE 89 HA 0.0023 -0.0017 0.0010 4700 ILE 89 HB 0.0012 -0.0014 0.0006 4701 ILE 89 HG12 0.0025 -0.0026 0.0007 4702 ILE 89 HG13 0.0026 -0.0017 0.0013 4703 ILE 89 HG21 0.0007 -0.0025 -0.0004 4704 ILE 89 HG22 0.0009 -0.0025 -0.0002 4705 ILE 89 HG23 0.0015 -0.0032 -0.0002 4706 ILE 89 HD11 0.0023 -0.0018 0.0010 4707 ILE 89 HD12 0.0013 -0.0018 0.0004 4708 ILE 89 HD13 0.0017 -0.0010 0.0011 4709 SER 90 N 0.0034 -0.0029 0.0011 4710 SER 90 CA 0.0041 -0.0036 0.0011 4711 SER 90 C 0.0045 -0.0037 0.0013 4712 SER 90 O 0.0049 -0.0032 0.0018 4713 SER 90 CB 0.0047 -0.0035 0.0015 4714 SER 90 OG 0.0051 -0.0043 0.0014 4715 SER 90 H 0.0035 -0.0024 0.0014 4716 SER 90 HA 0.0039 -0.0042 0.0007 4717 SER 90 HB2 0.0044 -0.0032 0.0015 4718 SER 90 HB3 0.0051 -0.0032 0.0019 4719 SER 90 HG 0.0048 -0.0047 0.0010 4720 THR 91 N 0.0070 -0.0057 0.0024 4721 THR 91 CA 0.0041 -0.0037 0.0021 4722 THR 91 C 0.0029 -0.0020 0.0017 4723 THR 91 O 0.0048 -0.0019 0.0015 4724 THR 91 CB 0.0048 -0.0012 0.0012 4725 THR 91 OG1 0.0076 0.0006 0.0003 4726 THR 91 CG2 0.0056 -0.0027 0.0016 4727 THR 91 H 0.0092 -0.0047 0.0018 4728 THR 91 HA 0.0022 -0.0052 0.0028 4729 THR 91 HB 0.0027 0.0004 0.0010 4730 THR 91 HG1 0.0068 0.0028 -0.0003 4731 THR 91 HG21 0.0079 -0.0041 0.0017 4732 THR 91 HG22 0.0036 -0.0043 0.0024 4733 THR 91 HG23 0.0058 -0.0009 0.0010 4734 THR 92 N -0.0002 -0.0008 0.0017 4735 THR 92 CA -0.0015 0.0007 0.0014 4736 THR 92 C -0.0014 0.0044 0.0003 4737 THR 92 O -0.0033 0.0060 0.0000 4738 THR 92 CB -0.0051 -0.0002 0.0022 4739 THR 92 OG1 -0.0067 0.0018 0.0018 4740 THR 92 CG2 -0.0072 -0.0000 0.0024 4741 THR 92 H -0.0015 -0.0008 0.0019 4742 THR 92 HA -0.0000 -0.0001 0.0015 4743 THR 92 HB -0.0051 -0.0027 0.0030 4744 THR 92 HG1 -0.0070 0.0039 0.0011 4745 THR 92 HG21 -0.0074 0.0024 0.0017 4746 THR 92 HG22 -0.0061 -0.0016 0.0028 4747 THR 92 HG23 -0.0097 -0.0008 0.0030 4748 PRO 93 N 0.0010 0.0057 -0.0005 4749 PRO 93 CA 0.0013 0.0092 -0.0016 4750 PRO 93 C -0.0019 0.0110 -0.0018 4751 PRO 93 O -0.0044 0.0096 -0.0010 4752 PRO 93 CB 0.0039 0.0096 -0.0021 4753 PRO 93 CG 0.0059 0.0066 -0.0014 4754 PRO 93 CD 0.0036 0.0040 -0.0003 4755 PRO 93 HA 0.0023 0.0101 -0.0020 4756 PRO 93 HB2 0.0026 0.0101 -0.0021 4757 PRO 93 HB3 0.0054 0.0117 -0.0029 4758 PRO 93 HG2 0.0069 0.0062 -0.0014 4759 PRO 93 HG3 0.0079 0.0067 -0.0017 4760 PRO 93 HD2 0.0025 0.0030 0.0002 4761 PRO 93 HD3 0.0048 0.0022 0.0001 4762 LEU 94 N -0.0018 0.0142 -0.0028 4763 LEU 94 CA -0.0046 0.0163 -0.0031 4764 LEU 94 C -0.0057 0.0159 -0.0028 4765 LEU 94 O -0.0039 0.0145 -0.0026 4766 LEU 94 CB -0.0038 0.0198 -0.0043 4767 LEU 94 CG -0.0005 0.0203 -0.0049 4768 LEU 94 CD1 0.0022 0.0204 -0.0053 4769 LEU 94 CD2 -0.0007 0.0233 -0.0058 4770 LEU 94 H 0.0003 0.0151 -0.0034 4771 LEU 94 HA -0.0066 0.0157 -0.0026 4772 LEU 94 HB2 -0.0037 0.0209 -0.0047 4773 LEU 94 HB3 -0.0057 0.0209 -0.0044 4774 LEU 94 HG 0.0001 0.0182 -0.0043 4775 LEU 94 HD11 0.0032 0.0180 -0.0046 4776 LEU 94 HD12 0.0042 0.0218 -0.0060 4777 LEU 94 HD13 0.0012 0.0216 -0.0055 4778 LEU 94 HD21 -0.0024 0.0230 -0.0055 4779 LEU 94 HD22 -0.0016 0.0253 -0.0063 4780 LEU 94 HD23 0.0017 0.0237 -0.0062 4781 GLU 95 N -0.0087 0.0172 -0.0028 4782 GLU 95 CA -0.0101 0.0170 -0.0026 4783 GLU 95 C -0.0129 0.0195 -0.0030 4784 GLU 95 O -0.0138 0.0211 -0.0034 4785 GLU 95 CB -0.0113 0.0136 -0.0014 4786 GLU 95 CG -0.0144 0.0128 -0.0007 4787 GLU 95 CD -0.0136 0.0118 -0.0005 4788 GLU 95 OE1 -0.0126 0.0090 0.0003 4789 GLU 95 OE2 -0.0140 0.0138 -0.0011 4790 GLU 95 H -0.0100 0.0183 -0.0030 4791 GLU 95 HA -0.0081 0.0175 -0.0030 4792 GLU 95 HB2 -0.0119 0.0134 -0.0012 4793 GLU 95 HB3 -0.0094 0.0119 -0.0011 4794 GLU 95 HG2 -0.0161 0.0149 -0.0011 4795 GLU 95 HG3 -0.0156 0.0108 0.0001 4796 ASN 96 N -0.0141 0.0198 -0.0029 4797 ASN 96 CA -0.0168 0.0221 -0.0033 4798 ASN 96 C -0.0201 0.0208 -0.0025 4799 ASN 96 O -0.0207 0.0179 -0.0015 4800 ASN 96 CB -0.0169 0.0229 -0.0036 4801 ASN 96 CG -0.0169 0.0200 -0.0026 4802 ASN 96 OD1 -0.0195 0.0187 -0.0019 4803 ASN 96 ND2 -0.0140 0.0188 -0.0026 4804 ASN 96 OXT -0.0221 0.0226 -0.0028 4805 ASN 96 H -0.0132 0.0184 -0.0026 4806 ASN 96 HA -0.0164 0.0242 -0.0040 4807 ASN 96 HB2 -0.0192 0.0243 -0.0037 4808 ASN 96 HB3 -0.0148 0.0243 -0.0043 4809 ASN 96 HD21 -0.0120 0.0199 -0.0032 4810 ASN 96 HD22 -0.0139 0.0169 -0.0021 4811 SER 101 N -0.0013 0.0022 0.0017 4812 SER 101 CA -0.0014 0.0021 0.0012 4813 SER 101 C -0.0002 0.0018 0.0013 4814 SER 101 O 0.0001 0.0013 0.0005 4815 SER 101 CB -0.0022 0.0025 0.0018 4816 SER 101 OG -0.0031 0.0029 0.0021 4817 SER 101 H1 -0.0006 0.0020 0.0015 4818 SER 101 H2 -0.0020 0.0023 0.0014 4819 SER 101 H3 -0.0013 0.0026 0.0025 4820 SER 101 HA -0.0017 0.0018 0.0004 4821 SER 101 HB2 -0.0017 0.0027 0.0026 4822 SER 101 HB3 -0.0025 0.0024 0.0013 4823 SER 101 HG -0.0033 0.0032 0.0028 4824 TRP 102 N 0.0004 0.0020 0.0023 4825 TRP 102 CA 0.0015 0.0018 0.0024 4826 TRP 102 C 0.0024 0.0017 0.0028 4827 TRP 102 O 0.0026 0.0020 0.0037 4828 TRP 102 CB 0.0016 0.0021 0.0033 4829 TRP 102 CG 0.0027 0.0019 0.0034 4830 TRP 102 CD1 0.0035 0.0014 0.0027 4831 TRP 102 CD2 0.0031 0.0021 0.0043 4832 TRP 102 NE1 0.0044 0.0013 0.0032 4833 TRP 102 CE2 0.0042 0.0018 0.0041 4834 TRP 102 CE3 0.0027 0.0027 0.0053 4835 TRP 102 CZ2 0.0048 0.0019 0.0048 4836 TRP 102 CZ3 0.0033 0.0028 0.0060 4837 TRP 102 CH2 0.0044 0.0024 0.0058 4838 TRP 102 H 0.0001 0.0024 0.0029 4839 TRP 102 HA 0.0017 0.0014 0.0017 4840 TRP 102 HB2 0.0009 0.0022 0.0030 4841 TRP 102 HB3 0.0014 0.0025 0.0040 4842 TRP 102 HD1 0.0034 0.0011 0.0020 4843 TRP 102 HE1 0.0051 0.0010 0.0028 4844 TRP 102 HE3 0.0019 0.0030 0.0055 4845 TRP 102 HZ2 0.0056 0.0016 0.0047 4846 TRP 102 HZ3 0.0030 0.0032 0.0067 4847 TRP 102 HH2 0.0049 0.0025 0.0063 4848 GLU 103 N 0.0028 0.0012 0.0020 4849 GLU 103 CA 0.0037 0.0011 0.0022 4850 GLU 103 C 0.0048 0.0008 0.0022 4851 GLU 103 O 0.0056 0.0008 0.0028 4852 GLU 103 CB 0.0035 0.0008 0.0013 4853 GLU 103 CG 0.0024 0.0011 0.0014 4854 GLU 103 CD 0.0014 0.0012 0.0011 4855 GLU 103 OE1 0.0013 0.0009 0.0003 4856 GLU 103 OE2 0.0006 0.0017 0.0017 4857 GLU 103 H 0.0026 0.0010 0.0012 4858 GLU 103 HA 0.0036 0.0014 0.0030 4859 GLU 103 HB2 0.0034 0.0004 0.0006 4860 GLU 103 HB3 0.0042 0.0006 0.0014 4861 GLU 103 HG2 0.0024 0.0008 0.0008 4862 GLU 103 HG3 0.0024 0.0014 0.0022 4863 SER 104 N 0.0050 0.0004 0.0015 4864 SER 104 CA 0.0060 0.0001 0.0015 4865 SER 104 C 0.0059 -0.0000 0.0010 4866 SER 104 O 0.0049 0.0002 0.0009 4867 SER 104 CB 0.0067 -0.0004 0.0007 4868 SER 104 OG 0.0069 -0.0003 0.0011 4869 SER 104 H 0.0043 0.0004 0.0011 4870 SER 104 HA 0.0065 0.0003 0.0023 4871 SER 104 HB2 0.0063 -0.0006 -0.0001 4872 SER 104 HB3 0.0075 -0.0006 0.0007 4873 SER 104 HG 0.0066 0.0001 0.0018 4874 HIS 105 N 0.0068 -0.0004 0.0008 4875 HIS 105 CA 0.0067 -0.0006 0.0003 4876 HIS 105 C 0.0061 -0.0009 -0.0008 4877 HIS 105 O 0.0067 -0.0014 -0.0016 4878 HIS 105 CB 0.0079 -0.0009 0.0004 4879 HIS 105 CG 0.0086 -0.0006 0.0014 4880 HIS 105 ND1 0.0090 -0.0006 0.0018 4881 HIS 105 CD2 0.0090 -0.0004 0.0021 4882 HIS 105 CE1 0.0096 -0.0003 0.0027 4883 HIS 105 NE2 0.0096 -0.0002 0.0029 4884 HIS 105 H 0.0075 -0.0005 0.0009 4885 HIS 105 HA 0.0062 -0.0002 0.0008 4886 HIS 105 HB2 0.0083 -0.0013 -0.0003 4887 HIS 105 HB3 0.0078 -0.0009 0.0002 4888 HIS 105 HD2 0.0088 -0.0004 0.0021 4889 HIS 105 HE1 0.0100 -0.0003 0.0032 4890 HIS 105 HE2 0.0101 -0.0002 0.0035 4891 LYS 106 N 0.0050 -0.0006 -0.0009 4892 LYS 106 CA 0.0044 -0.0009 -0.0019 4893 LYS 106 C 0.0040 -0.0009 -0.0023 4894 LYS 106 O 0.0031 -0.0007 -0.0024 4895 LYS 106 CB 0.0033 -0.0006 -0.0019 4896 LYS 106 CG 0.0035 -0.0005 -0.0016 4897 LYS 106 CD 0.0025 -0.0002 -0.0015 4898 LYS 106 CE 0.0025 -0.0003 -0.0018 4899 LYS 106 NZ 0.0015 0.0000 -0.0017 4900 LYS 106 H 0.0047 -0.0002 -0.0002 4901 LYS 106 HA 0.0049 -0.0013 -0.0025 4902 LYS 106 HB2 0.0028 -0.0002 -0.0012 4903 LYS 106 HB3 0.0028 -0.0007 -0.0026 4904 LYS 106 HG2 0.0039 -0.0009 -0.0023 4905 LYS 106 HG3 0.0041 -0.0004 -0.0009 4906 LYS 106 HD2 0.0023 0.0002 -0.0006 4907 LYS 106 HD3 0.0018 -0.0002 -0.0019 4908 LYS 106 HE2 0.0027 -0.0007 -0.0027 4909 LYS 106 HE3 0.0032 -0.0003 -0.0014 4910 LYS 106 HZ1 0.0014 0.0004 -0.0009 4911 LYS 106 HZ2 0.0015 -0.0002 -0.0021 4912 LYS 106 HZ3 0.0008 0.0000 -0.0021 4913 SER 107 N 0.0052 0.0016 0.0002 4914 SER 107 CA 0.0049 0.0018 0.0002 4915 SER 107 C 0.0047 0.0020 0.0002 4916 SER 107 O 0.0047 0.0023 0.0002 4917 SER 107 CB 0.0046 0.0015 0.0003 4918 SER 107 OG 0.0046 0.0012 0.0003 4919 SER 107 H 0.0052 0.0015 0.0002 4920 SER 107 HA 0.0050 0.0019 0.0002 4921 SER 107 HB2 0.0044 0.0016 0.0003 4922 SER 107 HB3 0.0047 0.0014 0.0003 4923 SER 107 HG 0.0045 0.0010 0.0003 4924 GLY 108 N 0.0045 0.0018 0.0003 4925 GLY 108 CA 0.0044 0.0019 0.0003 4926 GLY 108 C 0.0040 0.0019 0.0003 4927 GLY 108 O 0.0038 0.0021 0.0003 4928 GLY 108 H 0.0045 0.0015 0.0003 4929 GLY 108 HA2 0.0044 0.0018 0.0003 4930 GLY 108 HA3 0.0044 0.0022 0.0002 4931 GLY 109 N 0.0038 0.0017 0.0003 4932 GLY 109 CA 0.0034 0.0017 0.0004 4933 GLY 109 C 0.0033 0.0013 0.0004 4934 GLY 109 O 0.0035 0.0011 0.0005 4935 GLY 109 H 0.0039 0.0016 0.0003 4936 GLY 109 HA2 0.0033 0.0018 0.0004 4937 GLY 109 HA3 0.0033 0.0018 0.0004 4938 GLU 110 N 0.0031 0.0012 0.0005 4939 GLU 110 CA 0.0029 0.0009 0.0005 4940 GLU 110 C 0.0025 0.0009 0.0006 4941 GLU 110 O 0.0023 0.0006 0.0006 4942 GLU 110 CB 0.0030 0.0007 0.0006 4943 GLU 110 CG 0.0034 0.0006 0.0005 4944 GLU 110 CD 0.0034 0.0003 0.0005 4945 GLU 110 OE1 0.0035 0.0005 0.0005 4946 GLU 110 OE2 0.0034 0.0000 0.0006 4947 GLU 110 H 0.0030 0.0014 0.0005 4948 GLU 110 HA 0.0030 0.0007 0.0005 4949 GLU 110 HB2 0.0029 0.0009 0.0005 4950 GLU 110 HB3 0.0028 0.0005 0.0006 4951 GLU 110 HG2 0.0034 0.0004 0.0005 4952 GLU 110 HG3 0.0035 0.0008 0.0005 4953 THR 111 N 0.0024 0.0012 0.0006 4954 THR 111 CA 0.0020 0.0012 0.0006 4955 THR 111 C 0.0019 0.0010 0.0007 4956 THR 111 O 0.0021 0.0008 0.0006 4957 THR 111 CB 0.0020 0.0016 0.0006 4958 THR 111 OG1 0.0022 0.0019 0.0005 4959 THR 111 CG2 0.0016 0.0017 0.0006 4960 THR 111 H 0.0026 0.0014 0.0005 4961 THR 111 HA 0.0019 0.0012 0.0006 4962 THR 111 HB 0.0020 0.0016 0.0006 4963 THR 111 HG1 0.0024 0.0019 0.0005 4964 THR 111 HG21 0.0014 0.0015 0.0007 4965 THR 111 HG22 0.0015 0.0020 0.0006 4966 THR 111 HG23 0.0015 0.0018 0.0006 4967 ARG 112 N 0.0016 0.0009 0.0007 4968 ARG 112 CA 0.0014 0.0006 0.0007 4969 ARG 112 C 0.0011 0.0007 0.0008 4970 ARG 112 O 0.0009 0.0010 0.0008 4971 ARG 112 CB 0.0014 0.0003 0.0008 4972 ARG 112 CG 0.0012 0.0003 0.0008 4973 ARG 112 CD 0.0009 0.0001 0.0009 4974 ARG 112 NE 0.0009 -0.0003 0.0009 4975 ARG 112 CZ 0.0007 -0.0005 0.0009 4976 ARG 112 NH1 0.0005 -0.0004 0.0010 4977 ARG 112 NH2 0.0007 -0.0008 0.0010 4978 ARG 112 H 0.0014 0.0010 0.0007 4979 ARG 112 HA 0.0016 0.0006 0.0007 4980 ARG 112 HB2 0.0012 0.0001 0.0008 4981 ARG 112 HB3 0.0017 0.0002 0.0008 4982 ARG 112 HG2 0.0014 0.0002 0.0008 4983 ARG 112 HG3 0.0012 0.0006 0.0008 4984 ARG 112 HD2 0.0007 0.0002 0.0009 4985 ARG 112 HD3 0.0007 0.0002 0.0009 4986 ARG 112 HE 0.0011 -0.0003 0.0009 4987 ARG 112 HH11 0.0004 -0.0001 0.0009 4988 ARG 112 HH12 0.0003 -0.0005 0.0010 4989 ARG 112 HH21 0.0009 -0.0009 0.0010 4990 ARG 112 HH22 0.0006 -0.0010 0.0010 4991 LEU 113 N -0.0001 0.0017 0.0009 4992 LEU 113 CA -0.0006 0.0016 0.0006 4993 LEU 113 C -0.0011 0.0013 0.0003 4994 LEU 113 O -0.0012 0.0015 0.0003 4995 LEU 113 CB -0.0004 0.0012 0.0007 4996 LEU 113 CG -0.0000 0.0015 0.0009 4997 LEU 113 CD1 -0.0003 0.0022 0.0008 4998 LEU 113 CD2 0.0007 0.0016 0.0012 4999 LEU 113 OXT -0.0015 0.0009 0.0001 5000 LEU 113 H 0.0002 0.0013 0.0009 5001 LEU 113 HA -0.0008 0.0022 0.0006 5002 LEU 113 HB2 -0.0002 0.0007 0.0007 5003 LEU 113 HB3 -0.0009 0.0011 0.0004 5004 LEU 113 HG -0.0000 0.0012 0.0009 5005 LEU 113 HD11 -0.0008 0.0022 0.0006 5006 LEU 113 HD12 0.0000 0.0025 0.0010 5007 LEU 113 HD13 -0.0003 0.0026 0.0009 5008 LEU 113 HD21 0.0007 0.0019 0.0012 5009 LEU 113 HD22 0.0009 0.0018 0.0014 5010 LEU 113 HD23 0.0008 0.0011 0.0012 5011 GLY 1 N -0.0114 -0.0012 0.0125 5012 GLY 1 CA -0.0097 -0.0010 0.0109 5013 GLY 1 C -0.0067 -0.0024 0.0091 5014 GLY 1 O -0.0058 -0.0029 0.0085 5015 GLY 1 H1 -0.0108 -0.0002 0.0113 5016 GLY 1 H2 -0.0134 -0.0001 0.0136 5017 GLY 1 H3 -0.0110 -0.0035 0.0137 5018 GLY 1 HA2 -0.0103 0.0014 0.0098 5019 GLY 1 HA3 -0.0103 -0.0022 0.0121 5020 GLY 2 N -0.0051 -0.0032 0.0082 5021 GLY 2 CA -0.0021 -0.0046 0.0064 5022 GLY 2 C -0.0010 -0.0078 0.0075 5023 GLY 2 O -0.0025 -0.0093 0.0098 5024 GLY 2 H -0.0059 -0.0029 0.0087 5025 GLY 2 HA2 -0.0016 -0.0048 0.0061 5026 GLY 2 HA3 -0.0012 -0.0031 0.0047 5027 SER 3 N 0.0016 -0.0087 0.0058 5028 SER 3 CA 0.0030 -0.0117 0.0065 5029 SER 3 C 0.0055 -0.0117 0.0043 5030 SER 3 O 0.0065 -0.0097 0.0021 5031 SER 3 CB 0.0038 -0.0143 0.0075 5032 SER 3 OG 0.0046 -0.0173 0.0087 5033 SER 3 H 0.0027 -0.0074 0.0040 5034 SER 3 HA 0.0016 -0.0122 0.0081 5035 SER 3 HB2 0.0021 -0.0139 0.0087 5036 SER 3 HB3 0.0056 -0.0142 0.0058 5037 SER 3 HG 0.0029 -0.0176 0.0104 5038 MET 4 N 0.0066 -0.0140 0.0048 5039 MET 4 CA 0.0090 -0.0142 0.0028 5040 MET 4 C 0.0085 -0.0113 0.0013 5041 MET 4 O 0.0096 -0.0094 -0.0008 5042 MET 4 CB 0.0116 -0.0151 0.0011 5043 MET 4 CG 0.0131 -0.0185 0.0020 5044 MET 4 SD 0.0160 -0.0194 -0.0000 5045 MET 4 CE 0.0178 -0.0172 -0.0031 5046 MET 4 H 0.0057 -0.0155 0.0066 5047 MET 4 HA 0.0093 -0.0161 0.0038 5048 MET 4 HB2 0.0110 -0.0140 0.0009 5049 MET 4 HB3 0.0130 -0.0141 -0.0008 5050 MET 4 HG2 0.0138 -0.0195 0.0020 5051 MET 4 HG3 0.0117 -0.0195 0.0039 5052 MET 4 HE1 0.0165 -0.0148 -0.0035 5053 MET 4 HE2 0.0197 -0.0176 -0.0045 5054 MET 4 HE3 0.0184 -0.0180 -0.0031 5055 ARG 5 N 0.0070 -0.0109 0.0024 5056 ARG 5 CA 0.0065 -0.0082 0.0011 5057 ARG 5 C 0.0091 -0.0083 -0.0011 5058 ARG 5 O 0.0106 -0.0108 -0.0008 5059 ARG 5 CB 0.0042 -0.0079 0.0030 5060 ARG 5 CG 0.0013 -0.0070 0.0049 5061 ARG 5 CD 0.0009 -0.0098 0.0071 5062 ARG 5 NE -0.0014 -0.0089 0.0087 5063 ARG 5 CZ -0.0018 -0.0109 0.0103 5064 ARG 5 NH1 -0.0000 -0.0138 0.0106 5065 ARG 5 NH2 -0.0039 -0.0100 0.0115 5066 ARG 5 H 0.0063 -0.0125 0.0041 5067 ARG 5 HA 0.0058 -0.0062 0.0004 5068 ARG 5 HB2 0.0046 -0.0100 0.0040 5069 ARG 5 HB3 0.0041 -0.0061 0.0019 5070 ARG 5 HG2 -0.0002 -0.0059 0.0056 5071 ARG 5 HG3 0.0012 -0.0053 0.0040 5072 ARG 5 HD2 0.0027 -0.0112 0.0064 5073 ARG 5 HD3 0.0005 -0.0111 0.0084 5074 ARG 5 HE -0.0028 -0.0068 0.0084 5075 ARG 5 HH11 0.0016 -0.0145 0.0096 5076 ARG 5 HH12 -0.0003 -0.0153 0.0118 5077 ARG 5 HH21 -0.0052 -0.0078 0.0113 5078 ARG 5 HH22 -0.0042 -0.0115 0.0128 5079 PRO 6 N 0.0097 -0.0058 -0.0033 5080 PRO 6 CA 0.0122 -0.0057 -0.0055 5081 PRO 6 C 0.0118 -0.0051 -0.0056 5082 PRO 6 O 0.0103 -0.0026 -0.0059 5083 PRO 6 CB 0.0127 -0.0030 -0.0077 5084 PRO 6 CG 0.0103 -0.0016 -0.0065 5085 PRO 6 CD 0.0081 -0.0027 -0.0038 5086 PRO 6 HA 0.0139 -0.0078 -0.0057 5087 PRO 6 HB2 0.0127 -0.0013 -0.0089 5088 PRO 6 HB3 0.0146 -0.0038 -0.0089 5089 PRO 6 HG2 0.0095 0.0008 -0.0075 5090 PRO 6 HG3 0.0108 -0.0024 -0.0065 5091 PRO 6 HD2 0.0069 -0.0012 -0.0038 5092 PRO 6 HD3 0.0067 -0.0028 -0.0026 5093 PRO 7 N 0.0044 -0.0052 -0.0005 5094 PRO 7 CA 0.0037 -0.0045 -0.0004 5095 PRO 7 C 0.0028 -0.0047 -0.0010 5096 PRO 7 O 0.0025 -0.0051 -0.0014 5097 PRO 7 CB 0.0036 -0.0039 -0.0001 5098 PRO 7 CG 0.0044 -0.0043 0.0001 5099 PRO 7 CD 0.0047 -0.0052 -0.0003 5100 PRO 7 HA 0.0038 -0.0041 -0.0001 5101 PRO 7 HB2 0.0030 -0.0039 -0.0004 5102 PRO 7 HB3 0.0036 -0.0033 0.0003 5103 PRO 7 HG2 0.0043 -0.0042 0.0001 5104 PRO 7 HG3 0.0050 -0.0039 0.0006 5105 PRO 7 HD2 0.0044 -0.0056 -0.0007 5106 PRO 7 HD3 0.0054 -0.0054 -0.0001 5107 ILE 8 N 0.0024 -0.0045 -0.0011 5108 ILE 8 CA 0.0016 -0.0047 -0.0016 5109 ILE 8 C 0.0008 -0.0039 -0.0015 5110 ILE 8 O 0.0008 -0.0032 -0.0012 5111 ILE 8 CB 0.0015 -0.0049 -0.0017 5112 ILE 8 CG1 0.0024 -0.0054 -0.0015 5113 ILE 8 CG2 0.0008 -0.0053 -0.0023 5114 ILE 8 CD1 0.0025 -0.0055 -0.0015 5115 ILE 8 H 0.0027 -0.0042 -0.0007 5116 ILE 8 HA 0.0015 -0.0053 -0.0019 5117 ILE 8 HB 0.0014 -0.0042 -0.0014 5118 ILE 8 HG12 0.0025 -0.0060 -0.0018 5119 ILE 8 HG13 0.0029 -0.0051 -0.0011 5120 ILE 8 HG21 0.0008 -0.0054 -0.0024 5121 ILE 8 HG22 0.0010 -0.0060 -0.0026 5122 ILE 8 HG23 0.0002 -0.0050 -0.0024 5123 ILE 8 HD11 0.0023 -0.0048 -0.0013 5124 ILE 8 HD12 0.0032 -0.0057 -0.0013 5125 ILE 8 HD13 0.0021 -0.0059 -0.0020 5126 ILE 9 N 0.0003 -0.0041 -0.0019 5127 ILE 9 CA -0.0004 -0.0034 -0.0018 5128 ILE 9 C -0.0012 -0.0032 -0.0022 5129 ILE 9 O -0.0017 -0.0037 -0.0027 5130 ILE 9 CB -0.0006 -0.0037 -0.0021 5131 ILE 9 CG1 0.0001 -0.0042 -0.0020 5132 ILE 9 CG2 -0.0011 -0.0028 -0.0019 5133 ILE 9 CD1 0.0008 -0.0036 -0.0014 5134 ILE 9 H 0.0005 -0.0047 -0.0021 5135 ILE 9 HA -0.0001 -0.0028 -0.0014 5136 ILE 9 HB -0.0011 -0.0041 -0.0026 5137 ILE 9 HG12 0.0005 -0.0047 -0.0021 5138 ILE 9 HG13 -0.0001 -0.0044 -0.0023 5139 ILE 9 HG21 -0.0017 -0.0025 -0.0020 5140 ILE 9 HG22 -0.0012 -0.0030 -0.0020 5141 ILE 9 HG23 -0.0007 -0.0024 -0.0014 5142 ILE 9 HD11 0.0013 -0.0040 -0.0013 5143 ILE 9 HD12 0.0011 -0.0034 -0.0011 5144 ILE 9 HD13 0.0004 -0.0031 -0.0013 5145 ILE 10 N -0.0013 -0.0025 -0.0018 5146 ILE 10 CA -0.0021 -0.0023 -0.0021 5147 ILE 10 C -0.0028 -0.0018 -0.0022 5148 ILE 10 O -0.0027 -0.0015 -0.0019 5149 ILE 10 CB -0.0020 -0.0016 -0.0016 5150 ILE 10 CG1 -0.0011 -0.0020 -0.0014 5151 ILE 10 CG2 -0.0028 -0.0015 -0.0020 5152 ILE 10 CD1 -0.0006 -0.0013 -0.0008 5153 ILE 10 H -0.0008 -0.0022 -0.0014 5154 ILE 10 HA -0.0022 -0.0029 -0.0025 5155 ILE 10 HB -0.0019 -0.0010 -0.0013 5156 ILE 10 HG12 -0.0013 -0.0022 -0.0017 5157 ILE 10 HG13 -0.0007 -0.0025 -0.0015 5158 ILE 10 HG21 -0.0026 -0.0012 -0.0017 5159 ILE 10 HG22 -0.0030 -0.0021 -0.0024 5160 ILE 10 HG23 -0.0033 -0.0010 -0.0019 5161 ILE 10 HD11 -0.0006 -0.0009 -0.0005 5162 ILE 10 HD12 -0.0000 -0.0016 -0.0006 5163 ILE 10 HD13 -0.0010 -0.0009 -0.0007 5164 HIS 11 N -0.0036 -0.0018 -0.0026 5165 HIS 11 CA -0.0044 -0.0014 -0.0027 5166 HIS 11 C -0.0050 -0.0008 -0.0027 5167 HIS 11 O -0.0054 -0.0011 -0.0031 5168 HIS 11 CB -0.0048 -0.0020 -0.0033 5169 HIS 11 CG -0.0056 -0.0016 -0.0034 5170 HIS 11 ND1 -0.0064 -0.0018 -0.0040 5171 HIS 11 CD2 -0.0056 -0.0010 -0.0031 5172 HIS 11 CE1 -0.0069 -0.0013 -0.0039 5173 HIS 11 NE2 -0.0064 -0.0008 -0.0034 5174 HIS 11 H -0.0037 -0.0021 -0.0028 5175 HIS 11 HA -0.0042 -0.0009 -0.0024 5176 HIS 11 HB2 -0.0043 -0.0024 -0.0033 5177 HIS 11 HB3 -0.0051 -0.0024 -0.0036 5178 HIS 11 HD2 -0.0051 -0.0007 -0.0027 5179 HIS 11 HE1 -0.0076 -0.0013 -0.0043 5180 HIS 11 HE2 -0.0066 -0.0005 -0.0034 5181 ARG 12 N -0.0051 0.0000 -0.0023 5182 ARG 12 CA -0.0057 0.0007 -0.0022 5183 ARG 12 C -0.0067 0.0006 -0.0027 5184 ARG 12 O -0.0071 0.0010 -0.0028 5185 ARG 12 CB -0.0056 0.0016 -0.0017 5186 ARG 12 CG -0.0061 0.0023 -0.0015 5187 ARG 12 CD -0.0058 0.0031 -0.0009 5188 ARG 12 NE -0.0064 0.0038 -0.0008 5189 ARG 12 CZ -0.0068 0.0046 -0.0006 5190 ARG 12 NH1 -0.0069 0.0047 -0.0005 5191 ARG 12 NH2 -0.0073 0.0052 -0.0005 5192 ARG 12 H -0.0048 0.0003 -0.0020 5193 ARG 12 HA -0.0055 0.0005 -0.0022 5194 ARG 12 HB2 -0.0049 0.0016 -0.0013 5195 ARG 12 HB3 -0.0058 0.0017 -0.0017 5196 ARG 12 HG2 -0.0068 0.0023 -0.0018 5197 ARG 12 HG3 -0.0060 0.0021 -0.0016 5198 ARG 12 HD2 -0.0052 0.0030 -0.0006 5199 ARG 12 HD3 -0.0059 0.0033 -0.0009 5200 ARG 12 HE -0.0064 0.0037 -0.0008 5201 ARG 12 HH11 -0.0066 0.0042 -0.0006 5202 ARG 12 HH12 -0.0072 0.0053 -0.0004 5203 ARG 12 HH21 -0.0072 0.0051 -0.0005 5204 ARG 12 HH22 -0.0076 0.0057 -0.0003 5205 ALA 13 N -0.0075 -0.0005 -0.0032 5206 ALA 13 CA -0.0086 -0.0006 -0.0038 5207 ALA 13 C -0.0092 0.0004 -0.0037 5208 ALA 13 O -0.0097 0.0004 -0.0040 5209 ALA 13 CB -0.0087 -0.0016 -0.0042 5210 ALA 13 H -0.0070 -0.0008 -0.0031 5211 ALA 13 HA -0.0090 -0.0007 -0.0040 5212 ALA 13 HB1 -0.0095 -0.0017 -0.0046 5213 ALA 13 HB2 -0.0083 -0.0015 -0.0039 5214 ALA 13 HB3 -0.0084 -0.0023 -0.0042 5215 GLY 14 N -0.0091 0.0014 -0.0034 5216 GLY 14 CA -0.0096 0.0024 -0.0033 5217 GLY 14 C -0.0090 0.0029 -0.0029 5218 GLY 14 O -0.0089 0.0039 -0.0025 5219 GLY 14 H -0.0087 0.0014 -0.0032 5220 GLY 14 HA2 -0.0098 0.0030 -0.0032 5221 GLY 14 HA3 -0.0104 0.0023 -0.0037 5222 LYS 15 N -0.0086 0.0022 -0.0029 5223 LYS 15 CA -0.0080 0.0026 -0.0025 5224 LYS 15 C -0.0069 0.0027 -0.0019 5225 LYS 15 O -0.0066 0.0036 -0.0015 5226 LYS 15 CB -0.0079 0.0018 -0.0027 5227 LYS 15 CG -0.0081 0.0006 -0.0032 5228 LYS 15 CD -0.0079 -0.0001 -0.0033 5229 LYS 15 CE -0.0087 0.0002 -0.0036 5230 LYS 15 NZ -0.0086 -0.0005 -0.0038 5231 LYS 15 H -0.0087 0.0014 -0.0032 5232 LYS 15 HA -0.0083 0.0034 -0.0024 5233 LYS 15 HB2 -0.0072 0.0018 -0.0024 5234 LYS 15 HB3 -0.0085 0.0021 -0.0029 5235 LYS 15 HG2 -0.0089 0.0006 -0.0035 5236 LYS 15 HG3 -0.0075 0.0003 -0.0030 5237 LYS 15 HD2 -0.0080 -0.0010 -0.0036 5238 LYS 15 HD3 -0.0072 -0.0001 -0.0029 5239 LYS 15 HE2 -0.0087 0.0010 -0.0033 5240 LYS 15 HE3 -0.0095 0.0001 -0.0040 5241 LYS 15 HZ1 -0.0078 -0.0006 -0.0034 5242 LYS 15 HZ2 -0.0087 -0.0013 -0.0041 5243 LYS 15 HZ3 -0.0091 -0.0002 -0.0039 5244 LYS 16 N -0.0062 0.0018 -0.0019 5245 LYS 16 CA -0.0051 0.0018 -0.0013 5246 LYS 16 C -0.0045 0.0007 -0.0014 5247 LYS 16 O -0.0050 -0.0001 -0.0019 5248 LYS 16 CB -0.0045 0.0023 -0.0009 5249 LYS 16 CG -0.0047 0.0018 -0.0012 5250 LYS 16 CD -0.0045 0.0025 -0.0008 5251 LYS 16 CE -0.0049 0.0021 -0.0011 5252 LYS 16 NZ -0.0047 0.0029 -0.0008 5253 LYS 16 H -0.0064 0.0011 -0.0022 5254 LYS 16 HA -0.0051 0.0024 -0.0011 5255 LYS 16 HB2 -0.0037 0.0021 -0.0006 5256 LYS 16 HB3 -0.0047 0.0031 -0.0007 5257 LYS 16 HG2 -0.0056 0.0017 -0.0016 5258 LYS 16 HG3 -0.0043 0.0010 -0.0012 5259 LYS 16 HD2 -0.0037 0.0025 -0.0004 5260 LYS 16 HD3 -0.0048 0.0033 -0.0007 5261 LYS 16 HE2 -0.0057 0.0021 -0.0015 5262 LYS 16 HE3 -0.0045 0.0013 -0.0012 5263 LYS 16 HZ1 -0.0047 0.0025 -0.0010 5264 LYS 16 HZ2 -0.0053 0.0036 -0.0009 5265 LYS 16 HZ3 -0.0040 0.0031 -0.0004 5266 TYR 17 N -0.0035 0.0006 -0.0010 5267 TYR 17 CA -0.0029 -0.0004 -0.0010 5268 TYR 17 C -0.0026 -0.0011 -0.0010 5269 TYR 17 O -0.0020 -0.0019 -0.0011 5270 TYR 17 CB -0.0020 -0.0002 -0.0005 5271 TYR 17 CG -0.0023 0.0006 -0.0004 5272 TYR 17 CD1 -0.0027 0.0003 -0.0007 5273 TYR 17 CD2 -0.0023 0.0018 -0.0000 5274 TYR 17 CE1 -0.0030 0.0011 -0.0006 5275 TYR 17 CE2 -0.0026 0.0025 0.0001 5276 TYR 17 CZ -0.0029 0.0022 -0.0002 5277 TYR 17 OH -0.0033 0.0029 -0.0001 5278 TYR 17 H -0.0032 0.0013 -0.0006 5279 TYR 17 HA -0.0034 -0.0009 -0.0014 5280 TYR 17 HB2 -0.0014 0.0001 -0.0001 5281 TYR 17 HB3 -0.0017 -0.0010 -0.0006 5282 TYR 17 HD1 -0.0027 -0.0005 -0.0009 5283 TYR 17 HD2 -0.0020 0.0020 0.0002 5284 TYR 17 HE1 -0.0033 0.0008 -0.0008 5285 TYR 17 HE2 -0.0026 0.0034 0.0004 5286 TYR 17 HH -0.0027 0.0033 0.0003 5287 GLY 18 N -0.0029 -0.0006 -0.0011 5288 GLY 18 CA -0.0027 -0.0011 -0.0011 5289 GLY 18 C -0.0015 -0.0016 -0.0007 5290 GLY 18 O -0.0013 -0.0025 -0.0009 5291 GLY 18 H -0.0033 0.0001 -0.0010 5292 GLY 18 HA2 -0.0029 -0.0006 -0.0011 5293 GLY 18 HA3 -0.0031 -0.0018 -0.0015 5294 PHE 19 N 0.0006 -0.0002 0.0010 5295 PHE 19 CA 0.0010 -0.0003 0.0012 5296 PHE 19 C 0.0012 -0.0000 0.0011 5297 PHE 19 O 0.0011 0.0003 0.0009 5298 PHE 19 CB 0.0008 -0.0006 0.0012 5299 PHE 19 CG 0.0008 -0.0004 0.0011 5300 PHE 19 CD1 0.0004 -0.0003 0.0009 5301 PHE 19 CD2 0.0010 -0.0003 0.0012 5302 PHE 19 CE1 0.0004 -0.0001 0.0008 5303 PHE 19 CE2 0.0009 -0.0002 0.0011 5304 PHE 19 CZ 0.0006 -0.0000 0.0009 5305 PHE 19 H 0.0006 -0.0000 0.0008 5306 PHE 19 HA 0.0011 -0.0005 0.0013 5307 PHE 19 HB2 0.0011 -0.0007 0.0014 5308 PHE 19 HB3 0.0006 -0.0008 0.0012 5309 PHE 19 HD1 0.0002 -0.0003 0.0009 5310 PHE 19 HD2 0.0013 -0.0004 0.0013 5311 PHE 19 HE1 0.0001 -0.0000 0.0006 5312 PHE 19 HE2 0.0011 -0.0001 0.0011 5313 PHE 19 HZ 0.0005 0.0001 0.0008 5314 THR 20 N 0.0016 -0.0001 0.0013 5315 THR 20 CA 0.0019 0.0002 0.0013 5316 THR 20 C 0.0020 0.0002 0.0013 5317 THR 20 O 0.0021 -0.0001 0.0015 5318 THR 20 CB 0.0022 0.0001 0.0014 5319 THR 20 OG1 0.0021 0.0001 0.0014 5320 THR 20 CG2 0.0025 0.0004 0.0014 5321 THR 20 H 0.0016 -0.0003 0.0014 5322 THR 20 HA 0.0018 0.0004 0.0011 5323 THR 20 HB 0.0022 -0.0001 0.0016 5324 THR 20 HG1 0.0018 -0.0000 0.0013 5325 THR 20 HG21 0.0025 0.0006 0.0013 5326 THR 20 HG22 0.0026 0.0004 0.0014 5327 THR 20 HG23 0.0027 0.0003 0.0016 5328 LEU 21 N 0.0020 0.0004 0.0012 5329 LEU 21 CA 0.0021 0.0004 0.0012 5330 LEU 21 C 0.0025 0.0006 0.0013 5331 LEU 21 O 0.0026 0.0009 0.0012 5332 LEU 21 CB 0.0019 0.0006 0.0010 5333 LEU 21 CG 0.0018 0.0005 0.0011 5334 LEU 21 CD1 0.0019 0.0001 0.0013 5335 LEU 21 CD2 0.0014 0.0005 0.0009 5336 LEU 21 H 0.0019 0.0006 0.0011 5337 LEU 21 HA 0.0021 0.0002 0.0013 5338 LEU 21 HB2 0.0016 0.0006 0.0009 5339 LEU 21 HB3 0.0020 0.0009 0.0009 5340 LEU 21 HG 0.0020 0.0007 0.0011 5341 LEU 21 HD11 0.0021 0.0001 0.0014 5342 LEU 21 HD12 0.0018 0.0000 0.0013 5343 LEU 21 HD13 0.0017 -0.0000 0.0013 5344 LEU 21 HD21 0.0014 0.0005 0.0009 5345 LEU 21 HD22 0.0014 0.0008 0.0008 5346 LEU 21 HD23 0.0012 0.0003 0.0009 5347 ARG 22 N 0.0027 0.0004 0.0015 5348 ARG 22 CA 0.0031 0.0005 0.0016 5349 ARG 22 C 0.0032 0.0006 0.0016 5350 ARG 22 O 0.0031 0.0005 0.0016 5351 ARG 22 CB 0.0033 0.0003 0.0018 5352 ARG 22 CG 0.0037 0.0004 0.0019 5353 ARG 22 CD 0.0036 0.0004 0.0019 5354 ARG 22 NE 0.0039 0.0004 0.0020 5355 ARG 22 CZ 0.0040 0.0005 0.0020 5356 ARG 22 NH1 0.0038 0.0006 0.0018 5357 ARG 22 NH2 0.0043 0.0005 0.0021 5358 ARG 22 H 0.0026 0.0002 0.0016 5359 ARG 22 HA 0.0032 0.0008 0.0015 5360 ARG 22 HB2 0.0031 0.0001 0.0018 5361 ARG 22 HB3 0.0034 0.0001 0.0019 5362 ARG 22 HG2 0.0038 0.0002 0.0021 5363 ARG 22 HG3 0.0038 0.0006 0.0018 5364 ARG 22 HD2 0.0035 0.0007 0.0017 5365 ARG 22 HD3 0.0034 0.0002 0.0019 5366 ARG 22 HE 0.0041 0.0003 0.0021 5367 ARG 22 HH11 0.0035 0.0007 0.0017 5368 ARG 22 HH12 0.0038 0.0007 0.0018 5369 ARG 22 HH21 0.0045 0.0004 0.0022 5370 ARG 22 HH22 0.0044 0.0005 0.0021 5371 ALA 23 N 0.0035 0.0009 0.0015 5372 ALA 23 CA 0.0036 0.0011 0.0015 5373 ALA 23 C 0.0040 0.0010 0.0017 5374 ALA 23 O 0.0042 0.0011 0.0018 5375 ALA 23 CB 0.0036 0.0014 0.0013 5376 ALA 23 H 0.0036 0.0011 0.0015 5377 ALA 23 HA 0.0034 0.0009 0.0015 5378 ALA 23 HB1 0.0038 0.0016 0.0014 5379 ALA 23 HB2 0.0033 0.0015 0.0012 5380 ALA 23 HB3 0.0037 0.0015 0.0013 5381 ILE 24 N 0.0040 0.0008 0.0018 5382 ILE 24 CA 0.0044 0.0007 0.0020 5383 ILE 24 C 0.0044 0.0008 0.0020 5384 ILE 24 O 0.0042 0.0009 0.0019 5385 ILE 24 CB 0.0044 0.0004 0.0022 5386 ILE 24 CG1 0.0040 0.0001 0.0022 5387 ILE 24 CG2 0.0045 0.0003 0.0023 5388 ILE 24 CD1 0.0041 -0.0002 0.0024 5389 ILE 24 H 0.0038 0.0008 0.0018 5390 ILE 24 HA 0.0046 0.0009 0.0020 5391 ILE 24 HB 0.0046 0.0003 0.0023 5392 ILE 24 HG12 0.0038 0.0001 0.0021 5393 ILE 24 HG13 0.0039 0.0002 0.0021 5394 ILE 24 HG21 0.0045 0.0000 0.0024 5395 ILE 24 HG22 0.0043 0.0004 0.0021 5396 ILE 24 HG23 0.0047 0.0005 0.0023 5397 ILE 24 HD11 0.0042 -0.0002 0.0025 5398 ILE 24 HD12 0.0038 -0.0004 0.0024 5399 ILE 24 HD13 0.0042 -0.0003 0.0025 5400 ARG 25 N 0.0022 0.0009 0.0006 5401 ARG 25 CA 0.0006 0.0009 -0.0005 5402 ARG 25 C -0.0008 0.0020 -0.0005 5403 ARG 25 O -0.0009 0.0018 -0.0007 5404 ARG 25 CB 0.0006 -0.0008 -0.0019 5405 ARG 25 CG 0.0016 -0.0016 -0.0020 5406 ARG 25 CD 0.0026 -0.0033 -0.0027 5407 ARG 25 NE 0.0038 -0.0034 -0.0021 5408 ARG 25 CZ 0.0052 -0.0031 -0.0009 5409 ARG 25 NH1 0.0056 -0.0025 -0.0002 5410 ARG 25 NH2 0.0062 -0.0033 -0.0004 5411 ARG 25 H 0.0025 0.0010 0.0008 5412 ARG 25 HA 0.0004 0.0012 -0.0004 5413 ARG 25 HB2 -0.0007 -0.0007 -0.0027 5414 ARG 25 HB3 0.0011 -0.0014 -0.0021 5415 ARG 25 HG2 0.0024 -0.0011 -0.0010 5416 ARG 25 HG3 0.0007 -0.0016 -0.0025 5417 ARG 25 HD2 0.0032 -0.0038 -0.0028 5418 ARG 25 HD3 0.0017 -0.0038 -0.0038 5419 ARG 25 HE 0.0036 -0.0039 -0.0026 5420 ARG 25 HH11 0.0048 -0.0024 -0.0006 5421 ARG 25 HH12 0.0066 -0.0022 0.0007 5422 ARG 25 HH21 0.0060 -0.0037 -0.0009 5423 ARG 25 HH22 0.0073 -0.0030 0.0005 5424 VAL 26 N -0.0018 0.0031 -0.0002 5425 VAL 26 CA -0.0032 0.0043 -0.0001 5426 VAL 26 C -0.0048 0.0038 -0.0014 5427 VAL 26 O -0.0055 0.0036 -0.0021 5428 VAL 26 CB -0.0037 0.0059 0.0010 5429 VAL 26 CG1 -0.0023 0.0066 0.0024 5430 VAL 26 CG2 -0.0039 0.0057 0.0007 5431 VAL 26 H -0.0017 0.0032 -0.0000 5432 VAL 26 HA -0.0028 0.0044 0.0003 5433 VAL 26 HB -0.0048 0.0066 0.0008 5434 VAL 26 HG11 -0.0021 0.0071 0.0030 5435 VAL 26 HG12 -0.0011 0.0057 0.0024 5436 VAL 26 HG13 -0.0027 0.0074 0.0028 5437 VAL 26 HG21 -0.0050 0.0055 -0.0002 5438 VAL 26 HG22 -0.0028 0.0048 0.0006 5439 VAL 26 HG23 -0.0039 0.0068 0.0016 5440 TYR 27 N -0.0053 0.0036 -0.0019 5441 TYR 27 CA -0.0068 0.0032 -0.0032 5442 TYR 27 C -0.0083 0.0046 -0.0030 5443 TYR 27 O -0.0087 0.0056 -0.0025 5444 TYR 27 CB -0.0067 0.0025 -0.0038 5445 TYR 27 CG -0.0057 0.0008 -0.0046 5446 TYR 27 CD1 -0.0039 0.0003 -0.0039 5447 TYR 27 CD2 -0.0064 -0.0003 -0.0060 5448 TYR 27 CE1 -0.0030 -0.0012 -0.0045 5449 TYR 27 CE2 -0.0055 -0.0019 -0.0066 5450 TYR 27 CZ -0.0037 -0.0023 -0.0059 5451 TYR 27 OH -0.0028 -0.0038 -0.0066 5452 TYR 27 H -0.0046 0.0038 -0.0014 5453 TYR 27 HA -0.0068 0.0024 -0.0039 5454 TYR 27 HB2 -0.0062 0.0030 -0.0030 5455 TYR 27 HB3 -0.0080 0.0026 -0.0046 5456 TYR 27 HD1 -0.0033 0.0012 -0.0028 5457 TYR 27 HD2 -0.0078 0.0000 -0.0065 5458 TYR 27 HE1 -0.0016 -0.0016 -0.0040 5459 TYR 27 HE2 -0.0061 -0.0027 -0.0077 5460 TYR 27 HH -0.0033 -0.0044 -0.0074 5461 MET 28 N -0.0092 0.0048 -0.0035 5462 MET 28 CA -0.0107 0.0061 -0.0033 5463 MET 28 C -0.0123 0.0060 -0.0044 5464 MET 28 O -0.0136 0.0070 -0.0044 5465 MET 28 CB -0.0110 0.0063 -0.0034 5466 MET 28 CG -0.0109 0.0078 -0.0021 5467 MET 28 SD -0.0089 0.0080 -0.0006 5468 MET 28 CE -0.0094 0.0100 0.0007 5469 MET 28 H -0.0089 0.0039 -0.0040 5470 MET 28 HA -0.0105 0.0071 -0.0023 5471 MET 28 HB2 -0.0101 0.0054 -0.0035 5472 MET 28 HB3 -0.0123 0.0063 -0.0042 5473 MET 28 HG2 -0.0111 0.0078 -0.0022 5474 MET 28 HG3 -0.0119 0.0087 -0.0019 5475 MET 28 HE1 -0.0083 0.0103 0.0017 5476 MET 28 HE2 -0.0104 0.0107 0.0007 5477 MET 28 HE3 -0.0098 0.0101 0.0006 5478 GLY 29 N -0.0120 0.0047 -0.0053 5479 GLY 29 CA -0.0134 0.0045 -0.0064 5480 GLY 29 C -0.0128 0.0034 -0.0070 5481 GLY 29 O -0.0114 0.0025 -0.0068 5482 GLY 29 H -0.0109 0.0039 -0.0053 5483 GLY 29 HA2 -0.0142 0.0056 -0.0060 5484 GLY 29 HA3 -0.0141 0.0041 -0.0072 5485 ASP 30 N -0.0140 0.0034 -0.0077 5486 ASP 30 CA -0.0136 0.0023 -0.0083 5487 ASP 30 C -0.0137 0.0008 -0.0096 5488 ASP 30 O -0.0147 0.0003 -0.0107 5489 ASP 30 CB -0.0149 0.0030 -0.0085 5490 ASP 30 CG -0.0144 0.0021 -0.0090 5491 ASP 30 OD1 -0.0130 0.0019 -0.0083 5492 ASP 30 OD2 -0.0154 0.0015 -0.0102 5493 ASP 30 H -0.0151 0.0041 -0.0078 5494 ASP 30 HA -0.0124 0.0022 -0.0076 5495 ASP 30 HB2 -0.0149 0.0042 -0.0076 5496 ASP 30 HB3 -0.0161 0.0031 -0.0093 5497 SER 31 N -0.0144 -0.0004 -0.0115 5498 SER 31 CA -0.0144 -0.0022 -0.0124 5499 SER 31 C -0.0124 -0.0031 -0.0115 5500 SER 31 O -0.0111 -0.0026 -0.0103 5501 SER 31 CB -0.0157 -0.0019 -0.0131 5502 SER 31 OG -0.0175 -0.0011 -0.0139 5503 SER 31 H -0.0134 0.0002 -0.0105 5504 SER 31 HA -0.0148 -0.0032 -0.0131 5505 SER 31 HB2 -0.0153 -0.0010 -0.0123 5506 SER 31 HB3 -0.0156 -0.0033 -0.0138 5507 SER 31 HG -0.0175 -0.0008 -0.0138 5508 ASP 32 N -0.0122 -0.0045 -0.0120 5509 ASP 32 CA -0.0103 -0.0055 -0.0113 5510 ASP 32 C -0.0097 -0.0042 -0.0102 5511 ASP 32 O -0.0083 -0.0048 -0.0095 5512 ASP 32 CB -0.0103 -0.0075 -0.0123 5513 ASP 32 CG -0.0109 -0.0073 -0.0126 5514 ASP 32 OD1 -0.0125 -0.0063 -0.0132 5515 ASP 32 OD2 -0.0099 -0.0083 -0.0124 5516 ASP 32 H -0.0132 -0.0049 -0.0129 5517 ASP 32 HA -0.0094 -0.0057 -0.0108 5518 ASP 32 HB2 -0.0090 -0.0084 -0.0118 5519 ASP 32 HB3 -0.0112 -0.0081 -0.0132 5520 VAL 33 N -0.0107 -0.0024 -0.0099 5521 VAL 33 CA -0.0102 -0.0010 -0.0089 5522 VAL 33 C -0.0088 -0.0000 -0.0074 5523 VAL 33 O -0.0091 0.0009 -0.0072 5524 VAL 33 CB -0.0119 0.0006 -0.0092 5525 VAL 33 CG1 -0.0131 0.0015 -0.0096 5526 VAL 33 CG2 -0.0113 0.0022 -0.0080 5527 VAL 33 H -0.0118 -0.0019 -0.0105 5528 VAL 33 HA -0.0096 -0.0018 -0.0089 5529 VAL 33 HB -0.0127 -0.0001 -0.0101 5530 VAL 33 HG11 -0.0124 0.0021 -0.0088 5531 VAL 33 HG12 -0.0136 0.0003 -0.0106 5532 VAL 33 HG13 -0.0143 0.0026 -0.0098 5533 VAL 33 HG21 -0.0105 0.0029 -0.0071 5534 VAL 33 HG22 -0.0126 0.0033 -0.0083 5535 VAL 33 HG23 -0.0106 0.0016 -0.0078 5536 TYR 34 N -0.0073 -0.0002 -0.0065 5537 TYR 34 CA -0.0058 0.0006 -0.0051 5538 TYR 34 C -0.0046 0.0008 -0.0041 5539 TYR 34 O -0.0045 -0.0003 -0.0046 5540 TYR 34 CB -0.0047 -0.0007 -0.0049 5541 TYR 34 CG -0.0038 -0.0028 -0.0054 5542 TYR 34 CD1 -0.0021 -0.0033 -0.0045 5543 TYR 34 CD2 -0.0047 -0.0043 -0.0068 5544 TYR 34 CE1 -0.0013 -0.0052 -0.0049 5545 TYR 34 CE2 -0.0039 -0.0062 -0.0072 5546 TYR 34 CZ -0.0022 -0.0066 -0.0063 5547 TYR 34 OH -0.0015 -0.0085 -0.0067 5548 TYR 34 H -0.0072 -0.0010 -0.0068 5549 TYR 34 HA -0.0064 0.0021 -0.0047 5550 TYR 34 HB2 -0.0036 -0.0000 -0.0038 5551 TYR 34 HB3 -0.0055 -0.0007 -0.0055 5552 TYR 34 HD1 -0.0014 -0.0021 -0.0034 5553 TYR 34 HD2 -0.0060 -0.0039 -0.0075 5554 TYR 34 HE1 -0.0000 -0.0055 -0.0042 5555 TYR 34 HE2 -0.0046 -0.0073 -0.0083 5556 TYR 34 HH -0.0021 -0.0088 -0.0073 5557 THR 35 N -0.0038 0.0023 -0.0028 5558 THR 35 CA -0.0026 0.0025 -0.0019 5559 THR 35 C -0.0007 0.0021 -0.0008 5560 THR 35 O -0.0003 0.0028 -0.0001 5561 THR 35 CB -0.0032 0.0046 -0.0012 5562 THR 35 OG1 -0.0049 0.0057 -0.0018 5563 THR 35 CG2 -0.0034 0.0046 -0.0013 5564 THR 35 H -0.0040 0.0031 -0.0025 5565 THR 35 HA -0.0027 0.0015 -0.0024 5566 THR 35 HB -0.0021 0.0053 -0.0001 5567 THR 35 HG1 -0.0055 0.0048 -0.0027 5568 THR 35 HG21 -0.0021 0.0038 -0.0008 5569 THR 35 HG22 -0.0037 0.0061 -0.0008 5570 THR 35 HG23 -0.0044 0.0039 -0.0024 5571 VAL 36 N 0.0006 0.0009 -0.0005 5572 VAL 36 CA 0.0025 0.0003 0.0005 5573 VAL 36 C 0.0034 0.0018 0.0019 5574 VAL 36 O 0.0035 0.0022 0.0022 5575 VAL 36 CB 0.0035 -0.0017 0.0001 5576 VAL 36 CG1 0.0054 -0.0023 0.0012 5577 VAL 36 CG2 0.0025 -0.0033 -0.0013 5578 VAL 36 H 0.0002 0.0004 -0.0011 5579 VAL 36 HA 0.0026 0.0002 0.0005 5580 VAL 36 HB 0.0034 -0.0017 0.0001 5581 VAL 36 HG11 0.0062 -0.0036 0.0010 5582 VAL 36 HG12 0.0055 -0.0026 0.0011 5583 VAL 36 HG13 0.0061 -0.0011 0.0022 5584 VAL 36 HG21 0.0032 -0.0047 -0.0016 5585 VAL 36 HG22 0.0011 -0.0029 -0.0021 5586 VAL 36 HG23 0.0026 -0.0034 -0.0013 5587 HIS 37 N 0.0041 0.0010 0.0017 5588 HIS 37 CA 0.0038 0.0008 0.0017 5589 HIS 37 C 0.0036 0.0007 0.0017 5590 HIS 37 O 0.0037 0.0009 0.0017 5591 HIS 37 CB 0.0039 0.0005 0.0018 5592 HIS 37 CG 0.0040 0.0005 0.0018 5593 HIS 37 ND1 0.0038 0.0005 0.0018 5594 HIS 37 CD2 0.0043 0.0005 0.0018 5595 HIS 37 CE1 0.0039 0.0005 0.0018 5596 HIS 37 NE2 0.0043 0.0005 0.0018 5597 HIS 37 H 0.0042 0.0009 0.0017 5598 HIS 37 HA 0.0036 0.0009 0.0017 5599 HIS 37 HB2 0.0041 0.0004 0.0018 5600 HIS 37 HB3 0.0037 0.0003 0.0018 5601 HIS 37 HD2 0.0045 0.0005 0.0018 5602 HIS 37 HE1 0.0038 0.0005 0.0018 5603 HIS 37 HE2 0.0044 0.0005 0.0018 5604 HIS 38 N 0.0034 0.0005 0.0017 5605 HIS 38 CA 0.0032 0.0005 0.0017 5606 HIS 38 C 0.0031 0.0001 0.0018 5607 HIS 38 O 0.0031 0.0000 0.0018 5608 HIS 38 CB 0.0030 0.0007 0.0017 5609 HIS 38 CG 0.0030 0.0010 0.0016 5610 HIS 38 ND1 0.0032 0.0011 0.0016 5611 HIS 38 CD2 0.0030 0.0012 0.0015 5612 HIS 38 CE1 0.0032 0.0014 0.0015 5613 HIS 38 NE2 0.0031 0.0015 0.0015 5614 HIS 38 H 0.0034 0.0004 0.0017 5615 HIS 38 HA 0.0034 0.0005 0.0017 5616 HIS 38 HB2 0.0028 0.0006 0.0017 5617 HIS 38 HB3 0.0028 0.0006 0.0017 5618 HIS 38 HD2 0.0029 0.0012 0.0015 5619 HIS 38 HE1 0.0033 0.0016 0.0015 5620 HIS 38 HE2 0.0032 0.0017 0.0015 5621 MET 39 N 0.0031 0.0000 0.0018 5622 MET 39 CA 0.0030 -0.0003 0.0019 5623 MET 39 C 0.0028 -0.0004 0.0019 5624 MET 39 O 0.0028 -0.0002 0.0018 5625 MET 39 CB 0.0032 -0.0005 0.0019 5626 MET 39 CG 0.0035 -0.0005 0.0020 5627 MET 39 SD 0.0037 -0.0009 0.0020 5628 MET 39 CE 0.0039 -0.0009 0.0021 5629 MET 39 H 0.0031 0.0001 0.0018 5630 MET 39 HA 0.0028 -0.0004 0.0019 5631 MET 39 HB2 0.0034 -0.0005 0.0019 5632 MET 39 HB3 0.0032 -0.0008 0.0020 5633 MET 39 HG2 0.0033 -0.0005 0.0019 5634 MET 39 HG3 0.0036 -0.0003 0.0019 5635 MET 39 HE1 0.0037 -0.0009 0.0021 5636 MET 39 HE2 0.0040 -0.0007 0.0020 5637 MET 39 HE3 0.0040 -0.0011 0.0021 5638 VAL 40 N 0.0025 -0.0006 0.0019 5639 VAL 40 CA 0.0023 -0.0006 0.0019 5640 VAL 40 C 0.0025 -0.0008 0.0020 5641 VAL 40 O 0.0026 -0.0011 0.0020 5642 VAL 40 CB 0.0020 -0.0008 0.0019 5643 VAL 40 CG1 0.0021 -0.0011 0.0020 5644 VAL 40 CG2 0.0018 -0.0009 0.0019 5645 VAL 40 H 0.0025 -0.0007 0.0019 5646 VAL 40 HA 0.0023 -0.0004 0.0019 5647 VAL 40 HB 0.0019 -0.0006 0.0019 5648 VAL 40 HG11 0.0022 -0.0010 0.0020 5649 VAL 40 HG12 0.0019 -0.0012 0.0020 5650 VAL 40 HG13 0.0022 -0.0012 0.0020 5651 VAL 40 HG21 0.0019 -0.0007 0.0019 5652 VAL 40 HG22 0.0019 -0.0011 0.0020 5653 VAL 40 HG23 0.0016 -0.0009 0.0019 5654 TRP 41 N 0.0026 -0.0007 0.0019 5655 TRP 41 CA 0.0028 -0.0008 0.0020 5656 TRP 41 C 0.0026 -0.0010 0.0020 5657 TRP 41 O 0.0027 -0.0013 0.0021 5658 TRP 41 CB 0.0029 -0.0006 0.0019 5659 TRP 41 CG 0.0032 -0.0006 0.0020 5660 TRP 41 CD1 0.0032 -0.0006 0.0020 5661 TRP 41 CD2 0.0034 -0.0008 0.0020 5662 TRP 41 NE1 0.0035 -0.0007 0.0020 5663 TRP 41 CE2 0.0037 -0.0008 0.0020 5664 TRP 41 CE3 0.0035 -0.0008 0.0020 5665 TRP 41 CZ2 0.0040 -0.0009 0.0021 5666 TRP 41 CZ3 0.0038 -0.0010 0.0021 5667 TRP 41 CH2 0.0040 -0.0010 0.0021 5668 TRP 41 H 0.0025 -0.0005 0.0019 5669 TRP 41 HA 0.0029 -0.0009 0.0020 5670 TRP 41 HB2 0.0029 -0.0004 0.0019 5671 TRP 41 HB3 0.0027 -0.0005 0.0019 5672 TRP 41 HD1 0.0031 -0.0005 0.0019 5673 TRP 41 HE1 0.0036 -0.0007 0.0020 5674 TRP 41 HE3 0.0034 -0.0008 0.0020 5675 TRP 41 HZ2 0.0041 -0.0010 0.0021 5676 TRP 41 HZ3 0.0039 -0.0010 0.0021 5677 TRP 41 HH2 0.0042 -0.0011 0.0021 5678 HIS 42 N 0.0023 -0.0009 0.0020 5679 HIS 42 CA 0.0021 -0.0011 0.0020 5680 HIS 42 C 0.0017 -0.0010 0.0019 5681 HIS 42 O 0.0016 -0.0008 0.0019 5682 HIS 42 CB 0.0021 -0.0010 0.0020 5683 HIS 42 CG 0.0020 -0.0013 0.0020 5684 HIS 42 ND1 0.0023 -0.0015 0.0021 5685 HIS 42 CD2 0.0018 -0.0014 0.0020 5686 HIS 42 CE1 0.0022 -0.0017 0.0021 5687 HIS 42 NE2 0.0019 -0.0017 0.0021 5688 HIS 42 H 0.0022 -0.0007 0.0019 5689 HIS 42 HA 0.0021 -0.0013 0.0020 5690 HIS 42 HB2 0.0023 -0.0010 0.0020 5691 HIS 42 HB3 0.0019 -0.0009 0.0019 5692 HIS 42 HD2 0.0015 -0.0014 0.0020 5693 HIS 42 HE1 0.0023 -0.0019 0.0022 5694 HIS 42 HE2 0.0017 -0.0019 0.0021 5695 VAL 43 N 0.0010 -0.0023 0.0005 5696 VAL 43 CA 0.0002 -0.0024 0.0000 5697 VAL 43 C -0.0007 -0.0028 -0.0006 5698 VAL 43 O -0.0006 -0.0035 -0.0008 5699 VAL 43 CB 0.0006 -0.0032 0.0000 5700 VAL 43 CG1 0.0010 -0.0043 -0.0000 5701 VAL 43 CG2 -0.0002 -0.0033 -0.0005 5702 VAL 43 H 0.0012 -0.0030 0.0005 5703 VAL 43 HA 0.0000 -0.0016 0.0001 5704 VAL 43 HB 0.0011 -0.0028 0.0004 5705 VAL 43 HG11 0.0017 -0.0042 0.0004 5706 VAL 43 HG12 0.0012 -0.0048 -0.0001 5707 VAL 43 HG13 0.0006 -0.0046 -0.0004 5708 VAL 43 HG21 -0.0005 -0.0026 -0.0004 5709 VAL 43 HG22 -0.0008 -0.0037 -0.0009 5710 VAL 43 HG23 0.0000 -0.0039 -0.0005 5711 GLU 44 N -0.0015 -0.0021 -0.0009 5712 GLU 44 CA -0.0024 -0.0023 -0.0015 5713 GLU 44 C -0.0028 -0.0033 -0.0020 5714 GLU 44 O -0.0030 -0.0034 -0.0022 5715 GLU 44 CB -0.0032 -0.0013 -0.0016 5716 GLU 44 CG -0.0034 -0.0006 -0.0016 5717 GLU 44 CD -0.0043 0.0002 -0.0018 5718 GLU 44 OE1 -0.0042 0.0010 -0.0016 5719 GLU 44 OE2 -0.0051 0.0001 -0.0024 5720 GLU 44 H -0.0015 -0.0015 -0.0007 5721 GLU 44 HA -0.0023 -0.0024 -0.0014 5722 GLU 44 HB2 -0.0029 -0.0009 -0.0013 5723 GLU 44 HB3 -0.0038 -0.0016 -0.0021 5724 GLU 44 HG2 -0.0036 -0.0011 -0.0018 5725 GLU 44 HG3 -0.0028 -0.0002 -0.0011 5726 ASP 45 N -0.0028 -0.0041 -0.0022 5727 ASP 45 CA -0.0031 -0.0051 -0.0027 5728 ASP 45 C -0.0042 -0.0050 -0.0033 5729 ASP 45 O -0.0046 -0.0058 -0.0038 5730 ASP 45 CB -0.0026 -0.0060 -0.0027 5731 ASP 45 CG -0.0029 -0.0057 -0.0027 5732 ASP 45 OD1 -0.0026 -0.0048 -0.0023 5733 ASP 45 OD2 -0.0033 -0.0062 -0.0032 5734 ASP 45 H -0.0026 -0.0040 -0.0021 5735 ASP 45 HA -0.0028 -0.0054 -0.0026 5736 ASP 45 HB2 -0.0029 -0.0067 -0.0031 5737 ASP 45 HB3 -0.0019 -0.0061 -0.0023 5738 GLY 46 N -0.0047 -0.0041 -0.0033 5739 GLY 46 CA -0.0057 -0.0040 -0.0039 5740 GLY 46 C -0.0061 -0.0041 -0.0042 5741 GLY 46 O -0.0070 -0.0041 -0.0047 5742 GLY 46 H -0.0043 -0.0036 -0.0030 5743 GLY 46 HA2 -0.0060 -0.0045 -0.0042 5744 GLY 46 HA3 -0.0060 -0.0032 -0.0038 5745 GLY 47 N -0.0055 -0.0042 -0.0039 5746 GLY 47 CA -0.0059 -0.0042 -0.0041 5747 GLY 47 C -0.0052 -0.0040 -0.0036 5748 GLY 47 O -0.0050 -0.0046 -0.0037 5749 GLY 47 H -0.0048 -0.0042 -0.0034 5750 GLY 47 HA2 -0.0060 -0.0051 -0.0044 5751 GLY 47 HA3 -0.0066 -0.0037 -0.0043 5752 PRO 48 N -0.0048 -0.0030 -0.0031 5753 PRO 48 CA -0.0042 -0.0027 -0.0026 5754 PRO 48 C -0.0032 -0.0035 -0.0023 5755 PRO 48 O -0.0032 -0.0044 -0.0026 5756 PRO 48 CB -0.0040 -0.0016 -0.0022 5757 PRO 48 CG -0.0048 -0.0012 -0.0026 5758 PRO 48 CD -0.0050 -0.0022 -0.0030 5759 PRO 48 HA -0.0046 -0.0026 -0.0028 5760 PRO 48 HB2 -0.0033 -0.0017 -0.0018 5761 PRO 48 HB3 -0.0039 -0.0011 -0.0020 5762 PRO 48 HG2 -0.0046 -0.0006 -0.0023 5763 PRO 48 HG3 -0.0054 -0.0009 -0.0028 5764 PRO 48 HD2 -0.0046 -0.0024 -0.0028 5765 PRO 48 HD3 -0.0058 -0.0021 -0.0034 5766 ALA 49 N -0.0024 -0.0022 -0.0019 5767 ALA 49 CA -0.0015 -0.0027 -0.0015 5768 ALA 49 C -0.0012 -0.0037 -0.0018 5769 ALA 49 O -0.0008 -0.0043 -0.0018 5770 ALA 49 CB -0.0008 -0.0021 -0.0009 5771 ALA 49 H -0.0025 -0.0015 -0.0016 5772 ALA 49 HA -0.0013 -0.0028 -0.0015 5773 ALA 49 HB1 -0.0004 -0.0020 -0.0006 5774 ALA 49 HB2 -0.0004 -0.0024 -0.0008 5775 ALA 49 HB3 -0.0012 -0.0014 -0.0008 5776 SER 50 N -0.0016 -0.0037 -0.0020 5777 SER 50 CA -0.0014 -0.0046 -0.0023 5778 SER 50 C -0.0017 -0.0054 -0.0028 5779 SER 50 O -0.0012 -0.0061 -0.0027 5780 SER 50 CB -0.0019 -0.0045 -0.0025 5781 SER 50 OG -0.0015 -0.0041 -0.0021 5782 SER 50 H -0.0020 -0.0032 -0.0020 5783 SER 50 HA -0.0007 -0.0048 -0.0020 5784 SER 50 HB2 -0.0026 -0.0041 -0.0027 5785 SER 50 HB3 -0.0020 -0.0052 -0.0028 5786 SER 50 HG -0.0009 -0.0045 -0.0019 5787 GLU 51 N -0.0026 -0.0053 -0.0032 5788 GLU 51 CA -0.0029 -0.0061 -0.0037 5789 GLU 51 C -0.0026 -0.0062 -0.0036 5790 GLU 51 O -0.0026 -0.0069 -0.0039 5791 GLU 51 CB -0.0040 -0.0058 -0.0042 5792 GLU 51 CG -0.0044 -0.0058 -0.0044 5793 GLU 51 CD -0.0044 -0.0068 -0.0049 5794 GLU 51 OE1 -0.0037 -0.0073 -0.0047 5795 GLU 51 OE2 -0.0051 -0.0072 -0.0054 5796 GLU 51 H -0.0030 -0.0048 -0.0032 5797 GLU 51 HA -0.0028 -0.0067 -0.0039 5798 GLU 51 HB2 -0.0041 -0.0051 -0.0040 5799 GLU 51 HB3 -0.0042 -0.0063 -0.0045 5800 GLU 51 HG2 -0.0040 -0.0055 -0.0041 5801 GLU 51 HG3 -0.0050 -0.0054 -0.0047 5802 ALA 52 N -0.0023 -0.0054 -0.0031 5803 ALA 52 CA -0.0019 -0.0055 -0.0029 5804 ALA 52 C -0.0010 -0.0062 -0.0027 5805 ALA 52 O -0.0007 -0.0066 -0.0027 5806 ALA 52 CB -0.0017 -0.0045 -0.0024 5807 ALA 52 H -0.0023 -0.0049 -0.0029 5808 ALA 52 HA -0.0023 -0.0057 -0.0032 5809 ALA 52 HB1 -0.0022 -0.0040 -0.0025 5810 ALA 52 HB2 -0.0018 -0.0044 -0.0024 5811 ALA 52 HB3 -0.0011 -0.0044 -0.0020 5812 GLY 53 N -0.0006 -0.0063 -0.0025 5813 GLY 53 CA 0.0003 -0.0070 -0.0023 5814 GLY 53 C 0.0010 -0.0066 -0.0017 5815 GLY 53 O 0.0017 -0.0071 -0.0015 5816 GLY 53 H -0.0008 -0.0060 -0.0025 5817 GLY 53 HA2 0.0002 -0.0076 -0.0026 5818 GLY 53 HA3 0.0005 -0.0072 -0.0022 5819 LEU 54 N 0.0008 -0.0057 -0.0015 5820 LEU 54 CA 0.0014 -0.0052 -0.0009 5821 LEU 54 C 0.0015 -0.0055 -0.0010 5822 LEU 54 O 0.0009 -0.0054 -0.0013 5823 LEU 54 CB 0.0011 -0.0041 -0.0006 5824 LEU 54 CG 0.0019 -0.0035 0.0000 5825 LEU 54 CD1 0.0015 -0.0025 0.0002 5826 LEU 54 CD2 0.0025 -0.0038 0.0003 5827 LEU 54 H 0.0002 -0.0053 -0.0016 5828 LEU 54 HA 0.0021 -0.0054 -0.0006 5829 LEU 54 HB2 0.0007 -0.0039 -0.0008 5830 LEU 54 HB3 0.0007 -0.0039 -0.0008 5831 LEU 54 HG 0.0023 -0.0037 0.0002 5832 LEU 54 HD11 0.0012 -0.0023 0.0001 5833 LEU 54 HD12 0.0021 -0.0021 0.0007 5834 LEU 54 HD13 0.0011 -0.0023 0.0001 5835 LEU 54 HD21 0.0026 -0.0045 0.0000 5836 LEU 54 HD22 0.0022 -0.0034 0.0003 5837 LEU 54 HD23 0.0032 -0.0036 0.0007 5838 ARG 55 N 0.0018 -0.0026 0.0018 5839 ARG 55 CA 0.0019 -0.0027 0.0017 5840 ARG 55 C 0.0019 -0.0027 0.0017 5841 ARG 55 O 0.0020 -0.0026 0.0017 5842 ARG 55 CB 0.0020 -0.0028 0.0017 5843 ARG 55 CG 0.0021 -0.0026 0.0016 5844 ARG 55 CD 0.0022 -0.0027 0.0015 5845 ARG 55 NE 0.0023 -0.0028 0.0015 5846 ARG 55 CZ 0.0024 -0.0029 0.0014 5847 ARG 55 NH1 0.0025 -0.0028 0.0013 5848 ARG 55 NH2 0.0024 -0.0030 0.0013 5849 ARG 55 H 0.0019 -0.0025 0.0018 5850 ARG 55 HA 0.0018 -0.0028 0.0018 5851 ARG 55 HB2 0.0020 -0.0029 0.0016 5852 ARG 55 HB3 0.0019 -0.0028 0.0017 5853 ARG 55 HG2 0.0021 -0.0026 0.0016 5854 ARG 55 HG3 0.0021 -0.0025 0.0017 5855 ARG 55 HD2 0.0023 -0.0026 0.0015 5856 ARG 55 HD3 0.0022 -0.0027 0.0015 5857 ARG 55 HE 0.0022 -0.0029 0.0015 5858 ARG 55 HH11 0.0025 -0.0027 0.0014 5859 ARG 55 HH12 0.0026 -0.0028 0.0013 5860 ARG 55 HH21 0.0023 -0.0031 0.0013 5861 ARG 55 HH22 0.0025 -0.0031 0.0012 5862 GLN 56 N 0.0019 -0.0028 0.0017 5863 GLN 56 CA 0.0019 -0.0028 0.0017 5864 GLN 56 C 0.0021 -0.0028 0.0016 5865 GLN 56 O 0.0021 -0.0029 0.0015 5866 GLN 56 CB 0.0019 -0.0029 0.0017 5867 GLN 56 CG 0.0019 -0.0029 0.0017 5868 GLN 56 CD 0.0018 -0.0030 0.0017 5869 GLN 56 OE1 0.0017 -0.0031 0.0017 5870 GLN 56 NE2 0.0018 -0.0031 0.0016 5871 GLN 56 H 0.0018 -0.0029 0.0017 5872 GLN 56 HA 0.0019 -0.0027 0.0017 5873 GLN 56 HB2 0.0017 -0.0029 0.0017 5874 GLN 56 HB3 0.0019 -0.0030 0.0016 5875 GLN 56 HG2 0.0020 -0.0029 0.0016 5876 GLN 56 HG3 0.0019 -0.0028 0.0017 5877 GLN 56 HE21 0.0019 -0.0031 0.0016 5878 GLN 56 HE22 0.0018 -0.0032 0.0016 5879 GLY 57 N 0.0022 -0.0027 0.0016 5880 GLY 57 CA 0.0023 -0.0027 0.0015 5881 GLY 57 C 0.0024 -0.0026 0.0015 5882 GLY 57 O 0.0025 -0.0026 0.0014 5883 GLY 57 H 0.0021 -0.0026 0.0016 5884 GLY 57 HA2 0.0023 -0.0027 0.0015 5885 GLY 57 HA3 0.0023 -0.0028 0.0014 5886 ASP 58 N 0.0023 -0.0025 0.0015 5887 ASP 58 CA 0.0024 -0.0024 0.0015 5888 ASP 58 C 0.0025 -0.0022 0.0016 5889 ASP 58 O 0.0024 -0.0022 0.0016 5890 ASP 58 CB 0.0023 -0.0023 0.0016 5891 ASP 58 CG 0.0024 -0.0023 0.0016 5892 ASP 58 OD1 0.0025 -0.0022 0.0015 5893 ASP 58 OD2 0.0024 -0.0023 0.0016 5894 ASP 58 H 0.0022 -0.0025 0.0016 5895 ASP 58 HA 0.0025 -0.0024 0.0015 5896 ASP 58 HB2 0.0022 -0.0024 0.0016 5897 ASP 58 HB3 0.0023 -0.0022 0.0017 5898 LEU 59 N 0.0026 -0.0021 0.0015 5899 LEU 59 CA 0.0026 -0.0020 0.0015 5900 LEU 59 C 0.0026 -0.0018 0.0016 5901 LEU 59 O 0.0026 -0.0018 0.0016 5902 LEU 59 CB 0.0028 -0.0020 0.0015 5903 LEU 59 CG 0.0029 -0.0018 0.0015 5904 LEU 59 CD1 0.0029 -0.0018 0.0015 5905 LEU 59 CD2 0.0030 -0.0018 0.0014 5906 LEU 59 H 0.0026 -0.0021 0.0015 5907 LEU 59 HA 0.0026 -0.0020 0.0016 5908 LEU 59 HB2 0.0028 -0.0020 0.0014 5909 LEU 59 HB3 0.0028 -0.0020 0.0014 5910 LEU 59 HG 0.0028 -0.0017 0.0015 5911 LEU 59 HD11 0.0028 -0.0018 0.0015 5912 LEU 59 HD12 0.0029 -0.0016 0.0015 5913 LEU 59 HD13 0.0029 -0.0018 0.0014 5914 LEU 59 HD21 0.0031 -0.0016 0.0014 5915 LEU 59 HD22 0.0030 -0.0018 0.0014 5916 LEU 59 HD23 0.0031 -0.0018 0.0013 5917 ILE 60 N 0.0025 -0.0017 0.0017 5918 ILE 60 CA 0.0025 -0.0016 0.0018 5919 ILE 60 C 0.0026 -0.0015 0.0017 5920 ILE 60 O 0.0027 -0.0014 0.0017 5921 ILE 60 CB 0.0024 -0.0016 0.0019 5922 ILE 60 CG1 0.0022 -0.0017 0.0019 5923 ILE 60 CG2 0.0023 -0.0014 0.0019 5924 ILE 60 CD1 0.0022 -0.0018 0.0018 5925 ILE 60 H 0.0025 -0.0018 0.0017 5926 ILE 60 HA 0.0024 -0.0016 0.0018 5927 ILE 60 HB 0.0024 -0.0016 0.0018 5928 ILE 60 HG12 0.0021 -0.0017 0.0020 5929 ILE 60 HG13 0.0022 -0.0017 0.0019 5930 ILE 60 HG21 0.0023 -0.0014 0.0020 5931 ILE 60 HG22 0.0024 -0.0013 0.0019 5932 ILE 60 HG23 0.0022 -0.0014 0.0020 5933 ILE 60 HD11 0.0023 -0.0018 0.0018 5934 ILE 60 HD12 0.0023 -0.0019 0.0018 5935 ILE 60 HD13 0.0021 -0.0019 0.0019 5936 THR 61 N 0.0038 -0.0018 0.0027 5937 THR 61 CA 0.0041 -0.0019 0.0030 5938 THR 61 C 0.0040 -0.0016 0.0029 5939 THR 61 O 0.0041 -0.0013 0.0032 5940 THR 61 CB 0.0044 -0.0024 0.0030 5941 THR 61 OG1 0.0041 -0.0027 0.0026 5942 THR 61 CG2 0.0045 -0.0027 0.0030 5943 THR 61 H 0.0036 -0.0021 0.0025 5944 THR 61 HA 0.0044 -0.0016 0.0033 5945 THR 61 HB 0.0046 -0.0025 0.0032 5946 THR 61 HG1 0.0041 -0.0026 0.0027 5947 THR 61 HG21 0.0042 -0.0027 0.0027 5948 THR 61 HG22 0.0047 -0.0025 0.0033 5949 THR 61 HG23 0.0047 -0.0031 0.0030 5950 HIS 62 N 0.0036 -0.0017 0.0026 5951 HIS 62 CA 0.0034 -0.0015 0.0024 5952 HIS 62 C 0.0029 -0.0013 0.0021 5953 HIS 62 O 0.0028 -0.0015 0.0019 5954 HIS 62 CB 0.0035 -0.0020 0.0023 5955 HIS 62 CG 0.0039 -0.0021 0.0027 5956 HIS 62 ND1 0.0042 -0.0025 0.0029 5957 HIS 62 CD2 0.0041 -0.0020 0.0029 5958 HIS 62 CE1 0.0046 -0.0025 0.0031 5959 HIS 62 NE2 0.0045 -0.0023 0.0032 5960 HIS 62 H 0.0035 -0.0019 0.0024 5961 HIS 62 HA 0.0035 -0.0012 0.0027 5962 HIS 62 HB2 0.0034 -0.0023 0.0021 5963 HIS 62 HB3 0.0033 -0.0018 0.0022 5964 HIS 62 HD2 0.0039 -0.0018 0.0028 5965 HIS 62 HE1 0.0049 -0.0028 0.0033 5966 HIS 62 HE2 0.0047 -0.0024 0.0033 5967 VAL 63 N 0.0028 -0.0010 0.0020 5968 VAL 63 CA 0.0023 -0.0008 0.0017 5969 VAL 63 C 0.0021 -0.0007 0.0015 5970 VAL 63 O 0.0022 -0.0004 0.0017 5971 VAL 63 CB 0.0022 -0.0002 0.0018 5972 VAL 63 CG1 0.0024 0.0002 0.0021 5973 VAL 63 CG2 0.0017 -0.0000 0.0014 5974 VAL 63 H 0.0029 -0.0009 0.0022 5975 VAL 63 HA 0.0022 -0.0010 0.0015 5976 VAL 63 HB 0.0023 -0.0003 0.0019 5977 VAL 63 HG11 0.0027 0.0000 0.0024 5978 VAL 63 HG12 0.0023 0.0005 0.0022 5979 VAL 63 HG13 0.0023 0.0002 0.0021 5980 VAL 63 HG21 0.0016 0.0002 0.0014 5981 VAL 63 HG22 0.0016 -0.0003 0.0012 5982 VAL 63 HG23 0.0016 0.0003 0.0015 5983 ASN 64 N 0.0019 -0.0011 0.0012 5984 ASN 64 CA 0.0017 -0.0011 0.0010 5985 ASN 64 C 0.0020 -0.0012 0.0013 5986 ASN 64 O 0.0020 -0.0011 0.0013 5987 ASN 64 CB 0.0014 -0.0005 0.0009 5988 ASN 64 CG 0.0010 -0.0006 0.0005 5989 ASN 64 OD1 0.0008 -0.0009 0.0003 5990 ASN 64 ND2 0.0008 -0.0002 0.0004 5991 ASN 64 H 0.0018 -0.0013 0.0010 5992 ASN 64 HA 0.0015 -0.0014 0.0007 5993 ASN 64 HB2 0.0014 -0.0003 0.0011 5994 ASN 64 HB3 0.0015 -0.0004 0.0011 5995 ASN 64 HD21 0.0009 -0.0000 0.0006 5996 ASN 64 HD22 0.0005 -0.0002 0.0001 5997 GLY 65 N 0.0024 -0.0015 0.0015 5998 GLY 65 CA 0.0027 -0.0017 0.0017 5999 GLY 65 C 0.0029 -0.0012 0.0021 6000 GLY 65 O 0.0030 -0.0011 0.0022 6001 GLY 65 H 0.0024 -0.0017 0.0015 6002 GLY 65 HA2 0.0030 -0.0020 0.0018 6003 GLY 65 HA3 0.0026 -0.0018 0.0016 6004 GLU 66 N 0.0030 -0.0010 0.0023 6005 GLU 66 CA 0.0032 -0.0005 0.0026 6006 GLU 66 C 0.0034 -0.0005 0.0028 6007 GLU 66 O 0.0033 -0.0004 0.0027 6008 GLU 66 CB 0.0028 -0.0000 0.0025 6009 GLU 66 CG 0.0030 0.0004 0.0028 6010 GLU 66 CD 0.0032 0.0002 0.0029 6011 GLU 66 OE1 0.0030 0.0001 0.0027 6012 GLU 66 OE2 0.0036 0.0001 0.0032 6013 GLU 66 H 0.0029 -0.0011 0.0021 6014 GLU 66 HA 0.0034 -0.0006 0.0028 6015 GLU 66 HB2 0.0026 -0.0001 0.0022 6016 GLU 66 HB3 0.0027 0.0001 0.0025 6017 GLU 66 HG2 0.0027 0.0007 0.0026 6018 GLU 66 HG3 0.0031 0.0006 0.0030 6019 PRO 67 N 0.0041 0.0005 0.0023 6020 PRO 67 CA 0.0043 0.0004 0.0023 6021 PRO 67 C 0.0042 0.0006 0.0024 6022 PRO 67 O 0.0042 0.0008 0.0025 6023 PRO 67 CB 0.0046 0.0005 0.0024 6024 PRO 67 CG 0.0045 0.0007 0.0025 6025 PRO 67 CD 0.0042 0.0006 0.0024 6026 PRO 67 HA 0.0043 0.0002 0.0022 6027 PRO 67 HB2 0.0047 0.0006 0.0025 6028 PRO 67 HB3 0.0047 0.0003 0.0023 6029 PRO 67 HG2 0.0045 0.0009 0.0025 6030 PRO 67 HG3 0.0047 0.0006 0.0025 6031 PRO 67 HD2 0.0041 0.0008 0.0024 6032 PRO 67 HD3 0.0043 0.0004 0.0023 6033 VAL 68 N 0.0042 0.0004 0.0023 6034 VAL 68 CA 0.0041 0.0005 0.0023 6035 VAL 68 C 0.0043 0.0006 0.0024 6036 VAL 68 O 0.0043 0.0007 0.0024 6037 VAL 68 CB 0.0039 0.0003 0.0022 6038 VAL 68 CG1 0.0036 0.0002 0.0021 6039 VAL 68 CG2 0.0041 0.0000 0.0021 6040 VAL 68 H 0.0042 0.0002 0.0022 6041 VAL 68 HA 0.0039 0.0007 0.0024 6042 VAL 68 HB 0.0038 0.0004 0.0022 6043 VAL 68 HG11 0.0035 0.0001 0.0020 6044 VAL 68 HG12 0.0037 0.0001 0.0021 6045 VAL 68 HG13 0.0035 0.0004 0.0021 6046 VAL 68 HG21 0.0043 0.0001 0.0022 6047 VAL 68 HG22 0.0042 -0.0001 0.0021 6048 VAL 68 HG23 0.0040 -0.0001 0.0020 6049 HIS 69 N 0.0046 0.0005 0.0024 6050 HIS 69 CA 0.0049 0.0006 0.0025 6051 HIS 69 C 0.0049 0.0009 0.0026 6052 HIS 69 O 0.0050 0.0010 0.0027 6053 HIS 69 CB 0.0051 0.0004 0.0025 6054 HIS 69 CG 0.0051 0.0001 0.0023 6055 HIS 69 ND1 0.0054 -0.0000 0.0023 6056 HIS 69 CD2 0.0049 -0.0001 0.0022 6057 HIS 69 CE1 0.0053 -0.0003 0.0022 6058 HIS 69 NE2 0.0051 -0.0003 0.0021 6059 HIS 69 H 0.0046 0.0004 0.0024 6060 HIS 69 HA 0.0049 0.0004 0.0024 6061 HIS 69 HB2 0.0050 0.0005 0.0025 6062 HIS 69 HB3 0.0053 0.0005 0.0025 6063 HIS 69 HD2 0.0047 -0.0000 0.0022 6064 HIS 69 HE1 0.0055 -0.0005 0.0022 6065 HIS 69 HE2 0.0050 -0.0005 0.0021 6066 GLY 70 N 0.0049 0.0010 0.0026 6067 GLY 70 CA 0.0050 0.0013 0.0028 6068 GLY 70 C 0.0047 0.0014 0.0028 6069 GLY 70 O 0.0046 0.0017 0.0029 6070 GLY 70 H 0.0049 0.0008 0.0026 6071 GLY 70 HA2 0.0051 0.0013 0.0028 6072 GLY 70 HA3 0.0051 0.0014 0.0028 6073 LEU 71 N 0.0044 0.0013 0.0027 6074 LEU 71 CA 0.0041 0.0014 0.0027 6075 LEU 71 C 0.0040 0.0014 0.0027 6076 LEU 71 O 0.0041 0.0012 0.0026 6077 LEU 71 CB 0.0039 0.0013 0.0026 6078 LEU 71 CG 0.0039 0.0013 0.0026 6079 LEU 71 CD1 0.0036 0.0012 0.0025 6080 LEU 71 CD2 0.0039 0.0016 0.0027 6081 LEU 71 H 0.0044 0.0011 0.0026 6082 LEU 71 HA 0.0041 0.0016 0.0028 6083 LEU 71 HB2 0.0039 0.0010 0.0025 6084 LEU 71 HB3 0.0036 0.0014 0.0026 6085 LEU 71 HG 0.0040 0.0012 0.0026 6086 LEU 71 HD11 0.0035 0.0010 0.0024 6087 LEU 71 HD12 0.0036 0.0012 0.0025 6088 LEU 71 HD13 0.0034 0.0013 0.0025 6089 LEU 71 HD21 0.0037 0.0017 0.0027 6090 LEU 71 HD22 0.0039 0.0016 0.0027 6091 LEU 71 HD23 0.0041 0.0017 0.0028 6092 VAL 72 N 0.0039 0.0016 0.0027 6093 VAL 72 CA 0.0038 0.0016 0.0027 6094 VAL 72 C 0.0035 0.0015 0.0026 6095 VAL 72 O 0.0034 0.0014 0.0025 6096 VAL 72 CB 0.0037 0.0020 0.0028 6097 VAL 72 CG1 0.0034 0.0021 0.0028 6098 VAL 72 CG2 0.0038 0.0020 0.0029 6099 VAL 72 H 0.0038 0.0018 0.0028 6100 VAL 72 HA 0.0040 0.0015 0.0027 6101 VAL 72 HB 0.0039 0.0021 0.0029 6102 VAL 72 HG11 0.0033 0.0020 0.0028 6103 VAL 72 HG12 0.0034 0.0020 0.0028 6104 VAL 72 HG13 0.0034 0.0023 0.0029 6105 VAL 72 HG21 0.0038 0.0022 0.0030 6106 VAL 72 HG22 0.0040 0.0018 0.0028 6107 VAL 72 HG23 0.0036 0.0019 0.0028 6108 HIS 73 N 0.0038 0.0026 0.0018 6109 HIS 73 CA 0.0033 0.0022 0.0017 6110 HIS 73 C 0.0028 0.0025 0.0017 6111 HIS 73 O 0.0025 0.0022 0.0016 6112 HIS 73 CB 0.0033 0.0022 0.0017 6113 HIS 73 CG 0.0030 0.0018 0.0016 6114 HIS 73 ND1 0.0032 0.0013 0.0015 6115 HIS 73 CD2 0.0025 0.0017 0.0015 6116 HIS 73 CE1 0.0028 0.0010 0.0014 6117 HIS 73 NE2 0.0024 0.0013 0.0014 6118 HIS 73 H 0.0041 0.0027 0.0019 6119 HIS 73 HA 0.0034 0.0019 0.0016 6120 HIS 73 HB2 0.0037 0.0022 0.0017 6121 HIS 73 HB3 0.0031 0.0026 0.0018 6122 HIS 73 HD1 0.0036 0.0013 0.0015 6123 HIS 73 HD2 0.0022 0.0020 0.0016 6124 HIS 73 HE1 0.0029 0.0006 0.0014 6125 THR 74 N 0.0027 0.0029 0.0018 6126 THR 74 CA 0.0022 0.0032 0.0018 6127 THR 74 C 0.0021 0.0033 0.0018 6128 THR 74 O 0.0017 0.0033 0.0018 6129 THR 74 CB 0.0022 0.0037 0.0019 6130 THR 74 OG1 0.0025 0.0041 0.0020 6131 THR 74 CG2 0.0023 0.0036 0.0019 6132 THR 74 H 0.0030 0.0031 0.0019 6133 THR 74 HA 0.0019 0.0029 0.0017 6134 THR 74 HB 0.0017 0.0038 0.0019 6135 THR 74 HG1 0.0026 0.0044 0.0021 6136 THR 74 HG21 0.0020 0.0035 0.0019 6137 THR 74 HG22 0.0024 0.0040 0.0020 6138 THR 74 HG23 0.0027 0.0034 0.0019 6139 GLU 75 N 0.0026 0.0033 0.0019 6140 GLU 75 CA 0.0026 0.0033 0.0019 6141 GLU 75 C 0.0023 0.0029 0.0018 6142 GLU 75 O 0.0020 0.0029 0.0018 6143 GLU 75 CB 0.0031 0.0035 0.0019 6144 GLU 75 CG 0.0032 0.0040 0.0021 6145 GLU 75 CD 0.0038 0.0042 0.0021 6146 GLU 75 OE1 0.0042 0.0040 0.0021 6147 GLU 75 OE2 0.0037 0.0044 0.0022 6148 GLU 75 H 0.0029 0.0032 0.0019 6149 GLU 75 HA 0.0023 0.0037 0.0019 6150 GLU 75 HB2 0.0034 0.0032 0.0019 6151 GLU 75 HB3 0.0031 0.0033 0.0019 6152 GLU 75 HG2 0.0029 0.0043 0.0021 6153 GLU 75 HG3 0.0033 0.0042 0.0021 6154 VAL 76 N 0.0025 0.0024 0.0017 6155 VAL 76 CA 0.0023 0.0019 0.0016 6156 VAL 76 C 0.0017 0.0019 0.0015 6157 VAL 76 O 0.0014 0.0018 0.0015 6158 VAL 76 CB 0.0026 0.0014 0.0015 6159 VAL 76 CG1 0.0031 0.0014 0.0015 6160 VAL 76 CG2 0.0026 0.0014 0.0015 6161 VAL 76 H 0.0028 0.0024 0.0017 6162 VAL 76 HA 0.0023 0.0020 0.0016 6163 VAL 76 HB 0.0024 0.0011 0.0014 6164 VAL 76 HG11 0.0034 0.0017 0.0016 6165 VAL 76 HG12 0.0031 0.0014 0.0015 6166 VAL 76 HG13 0.0033 0.0010 0.0015 6167 VAL 76 HG21 0.0025 0.0017 0.0016 6168 VAL 76 HG22 0.0030 0.0013 0.0015 6169 VAL 76 HG23 0.0023 0.0011 0.0014 6170 VAL 77 N 0.0016 0.0020 0.0015 6171 VAL 77 CA 0.0010 0.0020 0.0015 6172 VAL 77 C 0.0007 0.0024 0.0015 6173 VAL 77 O 0.0003 0.0022 0.0015 6174 VAL 77 CB 0.0010 0.0021 0.0015 6175 VAL 77 CG1 0.0004 0.0021 0.0015 6176 VAL 77 CG2 0.0013 0.0018 0.0015 6177 VAL 77 H 0.0019 0.0020 0.0016 6178 VAL 77 HA 0.0009 0.0016 0.0014 6179 VAL 77 HB 0.0011 0.0025 0.0016 6180 VAL 77 HG11 0.0002 0.0023 0.0015 6181 VAL 77 HG12 0.0004 0.0022 0.0015 6182 VAL 77 HG13 0.0003 0.0017 0.0014 6183 VAL 77 HG21 0.0018 0.0019 0.0015 6184 VAL 77 HG22 0.0013 0.0014 0.0014 6185 VAL 77 HG23 0.0012 0.0018 0.0015 6186 GLU 78 N 0.0009 0.0028 0.0017 6187 GLU 78 CA 0.0006 0.0032 0.0017 6188 GLU 78 C 0.0006 0.0031 0.0017 6189 GLU 78 O 0.0002 0.0031 0.0017 6190 GLU 78 CB 0.0009 0.0037 0.0018 6191 GLU 78 CG 0.0008 0.0040 0.0019 6192 GLU 78 CD 0.0010 0.0046 0.0020 6193 GLU 78 OE1 0.0009 0.0049 0.0021 6194 GLU 78 OE2 0.0012 0.0048 0.0021 6195 GLU 78 H 0.0012 0.0029 0.0017 6196 GLU 78 HA 0.0002 0.0033 0.0017 6197 GLU 78 HB2 0.0013 0.0037 0.0019 6198 GLU 78 HB3 0.0008 0.0040 0.0019 6199 GLU 78 HG2 0.0004 0.0041 0.0019 6200 GLU 78 HG3 0.0010 0.0038 0.0019 6201 LEU 79 N 0.0009 0.0035 0.0021 6202 LEU 79 CA 0.0010 0.0030 0.0020 6203 LEU 79 C 0.0004 0.0026 0.0016 6204 LEU 79 O 0.0001 0.0024 0.0015 6205 LEU 79 CB 0.0017 0.0026 0.0021 6206 LEU 79 CG 0.0021 0.0026 0.0023 6207 LEU 79 CD1 0.0017 0.0024 0.0021 6208 LEU 79 CD2 0.0023 0.0033 0.0026 6209 LEU 79 H 0.0013 0.0035 0.0023 6210 LEU 79 HA 0.0009 0.0034 0.0021 6211 LEU 79 HB2 0.0019 0.0028 0.0023 6212 LEU 79 HB3 0.0016 0.0020 0.0019 6213 LEU 79 HG 0.0025 0.0022 0.0024 6214 LEU 79 HD11 0.0015 0.0019 0.0019 6215 LEU 79 HD12 0.0020 0.0023 0.0022 6216 LEU 79 HD13 0.0013 0.0028 0.0020 6217 LEU 79 HD21 0.0026 0.0034 0.0028 6218 LEU 79 HD22 0.0019 0.0037 0.0026 6219 LEU 79 HD23 0.0026 0.0033 0.0028 6220 ILE 80 N 0.0002 0.0023 0.0015 6221 ILE 80 CA -0.0003 0.0018 0.0011 6222 ILE 80 C -0.0010 0.0022 0.0010 6223 ILE 80 O -0.0014 0.0020 0.0008 6224 ILE 80 CB -0.0003 0.0015 0.0010 6225 ILE 80 CG1 0.0003 0.0010 0.0011 6226 ILE 80 CG2 -0.0009 0.0012 0.0007 6227 ILE 80 CD1 0.0006 0.0009 0.0012 6228 ILE 80 H 0.0005 0.0024 0.0016 6229 ILE 80 HA -0.0002 0.0014 0.0010 6230 ILE 80 HB -0.0002 0.0019 0.0012 6231 ILE 80 HG12 0.0002 0.0005 0.0009 6232 ILE 80 HG13 0.0007 0.0011 0.0013 6233 ILE 80 HG21 -0.0013 0.0016 0.0007 6234 ILE 80 HG22 -0.0008 0.0008 0.0006 6235 ILE 80 HG23 -0.0011 0.0009 0.0005 6236 ILE 80 HD11 0.0010 0.0004 0.0012 6237 ILE 80 HD12 0.0002 0.0007 0.0010 6238 ILE 80 HD13 0.0008 0.0013 0.0014 6239 LEU 81 N -0.0012 0.0028 0.0011 6240 LEU 81 CA -0.0018 0.0033 0.0010 6241 LEU 81 C -0.0019 0.0035 0.0010 6242 LEU 81 O -0.0025 0.0036 0.0008 6243 LEU 81 CB -0.0018 0.0039 0.0012 6244 LEU 81 CG -0.0018 0.0037 0.0011 6245 LEU 81 CD1 -0.0017 0.0044 0.0014 6246 LEU 81 CD2 -0.0024 0.0034 0.0008 6247 LEU 81 H -0.0008 0.0030 0.0013 6248 LEU 81 HA -0.0022 0.0030 0.0007 6249 LEU 81 HB2 -0.0014 0.0042 0.0014 6250 LEU 81 HB3 -0.0023 0.0042 0.0011 6251 LEU 81 HG -0.0013 0.0034 0.0012 6252 LEU 81 HD11 -0.0012 0.0046 0.0016 6253 LEU 81 HD12 -0.0016 0.0043 0.0014 6254 LEU 81 HD13 -0.0021 0.0048 0.0013 6255 LEU 81 HD21 -0.0029 0.0037 0.0007 6256 LEU 81 HD22 -0.0024 0.0033 0.0008 6257 LEU 81 HD23 -0.0024 0.0029 0.0006 6258 LYS 82 N -0.0013 0.0037 0.0013 6259 LYS 82 CA -0.0013 0.0039 0.0014 6260 LYS 82 C -0.0016 0.0034 0.0011 6261 LYS 82 O -0.0019 0.0036 0.0010 6262 LYS 82 CB -0.0006 0.0040 0.0017 6263 LYS 82 CG -0.0005 0.0044 0.0018 6264 LYS 82 CD 0.0002 0.0043 0.0021 6265 LYS 82 CE 0.0007 0.0046 0.0024 6266 LYS 82 NZ 0.0014 0.0045 0.0026 6267 LYS 82 H -0.0009 0.0036 0.0014 6268 LYS 82 HA -0.0016 0.0044 0.0014 6269 LYS 82 HB2 -0.0003 0.0042 0.0019 6270 LYS 82 HB3 -0.0003 0.0035 0.0016 6271 LYS 82 HG2 -0.0008 0.0042 0.0017 6272 LYS 82 HG3 -0.0006 0.0049 0.0020 6273 LYS 82 HD2 0.0004 0.0037 0.0020 6274 LYS 82 HD3 0.0002 0.0045 0.0022 6275 LYS 82 HE2 0.0006 0.0051 0.0025 6276 LYS 82 HE3 0.0007 0.0043 0.0023 6277 LYS 82 HZ1 0.0015 0.0048 0.0028 6278 LYS 82 HZ2 0.0016 0.0040 0.0025 6279 LYS 82 HZ3 0.0018 0.0047 0.0028 6280 SER 83 N -0.0014 0.0027 0.0010 6281 SER 83 CA -0.0016 0.0021 0.0007 6282 SER 83 C -0.0024 0.0022 0.0004 6283 SER 83 O -0.0027 0.0021 0.0003 6284 SER 83 CB -0.0014 0.0014 0.0006 6285 SER 83 OG -0.0015 0.0009 0.0003 6286 SER 83 H -0.0011 0.0026 0.0010 6287 SER 83 HA -0.0014 0.0022 0.0008 6288 SER 83 HB2 -0.0008 0.0014 0.0008 6289 SER 83 HB3 -0.0016 0.0014 0.0005 6290 SER 83 HG -0.0019 0.0006 0.0001 6291 GLY 84 N -0.0028 0.0024 0.0003 6292 GLY 84 CA -0.0035 0.0024 0.0001 6293 GLY 84 C -0.0038 0.0021 -0.0002 6294 GLY 84 O -0.0038 0.0023 -0.0001 6295 GLY 84 H -0.0025 0.0024 0.0004 6296 GLY 84 HA2 -0.0037 0.0030 0.0001 6297 GLY 84 HA3 -0.0037 0.0022 -0.0001 6298 ASN 85 N -0.0043 0.0021 -0.0009 6299 ASN 85 CA -0.0047 0.0018 -0.0014 6300 ASN 85 C -0.0043 0.0010 -0.0015 6301 ASN 85 O -0.0046 0.0006 -0.0019 6302 ASN 85 CB -0.0055 0.0017 -0.0019 6303 ASN 85 CG -0.0054 0.0012 -0.0021 6304 ASN 85 OD1 -0.0053 0.0005 -0.0024 6305 ASN 85 ND2 -0.0054 0.0017 -0.0018 6306 ASN 85 H -0.0042 0.0019 -0.0010 6307 ASN 85 HA -0.0049 0.0022 -0.0013 6308 ASN 85 HB2 -0.0058 0.0014 -0.0022 6309 ASN 85 HB3 -0.0059 0.0023 -0.0018 6310 ASN 85 HD21 -0.0055 0.0023 -0.0016 6311 ASN 85 HD22 -0.0053 0.0014 -0.0019 6312 LYS 86 N -0.0035 0.0008 -0.0012 6313 LYS 86 CA -0.0030 0.0001 -0.0012 6314 LYS 86 C -0.0022 0.0002 -0.0007 6315 LYS 86 O -0.0021 0.0007 -0.0003 6316 LYS 86 CB -0.0031 -0.0006 -0.0017 6317 LYS 86 CG -0.0031 -0.0005 -0.0016 6318 LYS 86 CD -0.0028 -0.0013 -0.0018 6319 LYS 86 CE -0.0028 -0.0011 -0.0017 6320 LYS 86 NZ -0.0022 -0.0006 -0.0011 6321 LYS 86 H -0.0034 0.0012 -0.0009 6322 LYS 86 HA -0.0031 -0.0000 -0.0014 6323 LYS 86 HB2 -0.0027 -0.0011 -0.0016 6324 LYS 86 HB3 -0.0037 -0.0008 -0.0021 6325 LYS 86 HG2 -0.0037 -0.0002 -0.0018 6326 LYS 86 HG3 -0.0028 -0.0001 -0.0012 6327 LYS 86 HD2 -0.0023 -0.0016 -0.0017 6328 LYS 86 HD3 -0.0033 -0.0017 -0.0023 6329 LYS 86 HE2 -0.0025 -0.0017 -0.0018 6330 LYS 86 HE3 -0.0033 -0.0009 -0.0019 6331 LYS 86 HZ1 -0.0025 -0.0000 -0.0010 6332 LYS 86 HZ2 -0.0022 -0.0005 -0.0010 6333 LYS 86 HZ3 -0.0017 -0.0008 -0.0009 6334 VAL 87 N -0.0017 -0.0005 -0.0007 6335 VAL 87 CA -0.0008 -0.0004 -0.0002 6336 VAL 87 C -0.0003 -0.0013 -0.0003 6337 VAL 87 O -0.0005 -0.0017 -0.0006 6338 VAL 87 CB -0.0006 0.0002 0.0003 6339 VAL 87 CG1 -0.0007 -0.0000 0.0001 6340 VAL 87 CG2 0.0002 0.0004 0.0008 6341 VAL 87 H -0.0018 -0.0009 -0.0010 6342 VAL 87 HA -0.0007 -0.0003 -0.0000 6343 VAL 87 HB -0.0011 0.0008 0.0003 6344 VAL 87 HG11 -0.0013 0.0000 -0.0002 6345 VAL 87 HG12 -0.0005 0.0004 0.0004 6346 VAL 87 HG13 -0.0004 -0.0006 0.0000 6347 VAL 87 HG21 0.0002 0.0007 0.0010 6348 VAL 87 HG22 0.0006 -0.0002 0.0008 6349 VAL 87 HG23 0.0003 0.0007 0.0011 6350 ALA 88 N 0.0004 -0.0014 0.0000 6351 ALA 88 CA 0.0010 -0.0022 0.0000 6352 ALA 88 C 0.0016 -0.0021 0.0004 6353 ALA 88 O 0.0021 -0.0018 0.0009 6354 ALA 88 CB 0.0014 -0.0024 0.0001 6355 ALA 88 H 0.0005 -0.0010 0.0003 6356 ALA 88 HA 0.0007 -0.0026 -0.0004 6357 ALA 88 HB1 0.0017 -0.0020 0.0005 6358 ALA 88 HB2 0.0010 -0.0025 -0.0002 6359 ALA 88 HB3 0.0018 -0.0030 0.0001 6360 ILE 89 N 0.0015 -0.0023 0.0002 6361 ILE 89 CA 0.0020 -0.0022 0.0006 6362 ILE 89 C 0.0027 -0.0030 0.0006 6363 ILE 89 O 0.0026 -0.0036 0.0002 6364 ILE 89 CB 0.0016 -0.0020 0.0005 6365 ILE 89 CG1 0.0022 -0.0020 0.0008 6366 ILE 89 CG2 0.0012 -0.0027 -0.0001 6367 ILE 89 CD1 0.0018 -0.0015 0.0008 6368 ILE 89 H 0.0010 -0.0025 -0.0001 6369 ILE 89 HA 0.0023 -0.0017 0.0010 6370 ILE 89 HB 0.0012 -0.0015 0.0005 6371 ILE 89 HG12 0.0025 -0.0026 0.0007 6372 ILE 89 HG13 0.0026 -0.0017 0.0012 6373 ILE 89 HG21 0.0007 -0.0027 -0.0004 6374 ILE 89 HG22 0.0009 -0.0025 -0.0002 6375 ILE 89 HG23 0.0016 -0.0033 -0.0002 6376 ILE 89 HD11 0.0022 -0.0017 0.0010 6377 ILE 89 HD12 0.0013 -0.0017 0.0004 6378 ILE 89 HD13 0.0017 -0.0009 0.0011 6379 SER 90 N 0.0034 -0.0029 0.0011 6380 SER 90 CA 0.0041 -0.0036 0.0011 6381 SER 90 C 0.0045 -0.0037 0.0013 6382 SER 90 O 0.0048 -0.0032 0.0018 6383 SER 90 CB 0.0046 -0.0035 0.0016 6384 SER 90 OG 0.0049 -0.0042 0.0014 6385 SER 90 H 0.0034 -0.0024 0.0014 6386 SER 90 HA 0.0039 -0.0041 0.0008 6387 SER 90 HB2 0.0043 -0.0030 0.0016 6388 SER 90 HB3 0.0051 -0.0033 0.0019 6389 SER 90 HG 0.0046 -0.0046 0.0010 6390 THR 91 N 0.0070 -0.0057 0.0024 6391 THR 91 CA 0.0041 -0.0038 0.0021 6392 THR 91 C 0.0028 -0.0023 0.0018 6393 THR 91 O 0.0044 -0.0025 0.0017 6394 THR 91 CB 0.0048 -0.0012 0.0012 6395 THR 91 OG1 0.0074 0.0007 0.0003 6396 THR 91 CG2 0.0057 -0.0026 0.0016 6397 THR 91 H 0.0091 -0.0047 0.0018 6398 THR 91 HA 0.0022 -0.0053 0.0028 6399 THR 91 HB 0.0026 0.0003 0.0010 6400 THR 91 HG1 0.0066 0.0029 -0.0003 6401 THR 91 HG21 0.0080 -0.0040 0.0017 6402 THR 91 HG22 0.0038 -0.0041 0.0023 6403 THR 91 HG23 0.0061 -0.0008 0.0009 6404 THR 92 N -0.0002 -0.0008 0.0017 6405 THR 92 CA -0.0017 0.0007 0.0015 6406 THR 92 C -0.0015 0.0043 0.0003 6407 THR 92 O -0.0035 0.0060 0.0000 6408 THR 92 CB -0.0053 -0.0004 0.0022 6409 THR 92 OG1 -0.0069 0.0012 0.0019 6410 THR 92 CG2 -0.0073 0.0003 0.0023 6411 THR 92 H -0.0013 -0.0005 0.0018 6412 THR 92 HA -0.0003 -0.0002 0.0016 6413 THR 92 HB -0.0053 -0.0029 0.0030 6414 THR 92 HG1 -0.0066 0.0035 0.0012 6415 THR 92 HG21 -0.0074 0.0028 0.0015 6416 THR 92 HG22 -0.0062 -0.0010 0.0025 6417 THR 92 HG23 -0.0098 -0.0005 0.0028 6418 PRO 93 N 0.0008 0.0056 -0.0004 6419 PRO 93 CA 0.0012 0.0090 -0.0015 6420 PRO 93 C -0.0021 0.0108 -0.0017 6421 PRO 93 O -0.0044 0.0094 -0.0009 6422 PRO 93 CB 0.0037 0.0094 -0.0019 6423 PRO 93 CG 0.0057 0.0064 -0.0013 6424 PRO 93 CD 0.0035 0.0038 -0.0002 6425 PRO 93 HA 0.0021 0.0100 -0.0019 6426 PRO 93 HB2 0.0024 0.0097 -0.0019 6427 PRO 93 HB3 0.0052 0.0114 -0.0028 6428 PRO 93 HG2 0.0067 0.0058 -0.0012 6429 PRO 93 HG3 0.0077 0.0066 -0.0016 6430 PRO 93 HD2 0.0025 0.0026 0.0003 6431 PRO 93 HD3 0.0048 0.0022 0.0002 6432 LEU 94 N -0.0021 0.0139 -0.0026 6433 LEU 94 CA -0.0049 0.0160 -0.0029 6434 LEU 94 C -0.0057 0.0158 -0.0028 6435 LEU 94 O -0.0036 0.0149 -0.0028 6436 LEU 94 CB -0.0042 0.0195 -0.0041 6437 LEU 94 CG -0.0008 0.0200 -0.0047 6438 LEU 94 CD1 0.0017 0.0201 -0.0050 6439 LEU 94 CD2 -0.0008 0.0232 -0.0057 6440 LEU 94 H -0.0000 0.0149 -0.0032 6441 LEU 94 HA -0.0070 0.0152 -0.0024 6442 LEU 94 HB2 -0.0046 0.0209 -0.0045 6443 LEU 94 HB3 -0.0060 0.0202 -0.0041 6444 LEU 94 HG -0.0001 0.0182 -0.0042 6445 LEU 94 HD11 0.0025 0.0176 -0.0044 6446 LEU 94 HD12 0.0037 0.0215 -0.0057 6447 LEU 94 HD13 0.0005 0.0211 -0.0052 6448 LEU 94 HD21 -0.0024 0.0230 -0.0054 6449 LEU 94 HD22 -0.0016 0.0251 -0.0062 6450 LEU 94 HD23 0.0017 0.0236 -0.0061 6451 GLU 95 N -0.0088 0.0167 -0.0027 6452 GLU 95 CA -0.0099 0.0167 -0.0025 6453 GLU 95 C -0.0130 0.0189 -0.0028 6454 GLU 95 O -0.0145 0.0200 -0.0030 6455 GLU 95 CB -0.0106 0.0133 -0.0014 6456 GLU 95 CG -0.0139 0.0121 -0.0006 6457 GLU 95 CD -0.0139 0.0114 -0.0004 6458 GLU 95 OE1 -0.0129 0.0088 0.0003 6459 GLU 95 OE2 -0.0149 0.0136 -0.0009 6460 GLU 95 H -0.0103 0.0175 -0.0027 6461 GLU 95 HA -0.0079 0.0176 -0.0030 6462 GLU 95 HB2 -0.0107 0.0132 -0.0013 6463 GLU 95 HB3 -0.0087 0.0117 -0.0011 6464 GLU 95 HG2 -0.0158 0.0138 -0.0009 6465 GLU 95 HG3 -0.0144 0.0099 0.0002 6466 ASN 96 N -0.0138 0.0195 -0.0029 6467 ASN 96 CA -0.0167 0.0216 -0.0032 6468 ASN 96 C -0.0199 0.0198 -0.0022 6469 ASN 96 O -0.0197 0.0168 -0.0013 6470 ASN 96 CB -0.0164 0.0229 -0.0036 6471 ASN 96 CG -0.0159 0.0202 -0.0029 6472 ASN 96 OD1 -0.0183 0.0189 -0.0021 6473 ASN 96 ND2 -0.0128 0.0195 -0.0030 6474 ASN 96 OXT -0.0226 0.0214 -0.0024 6475 ASN 96 H -0.0125 0.0186 -0.0028 6476 ASN 96 HA -0.0168 0.0235 -0.0038 6477 ASN 96 HB2 -0.0186 0.0242 -0.0038 6478 ASN 96 HB3 -0.0143 0.0244 -0.0044 6479 ASN 96 HD21 -0.0111 0.0207 -0.0036 6480 ASN 96 HD22 -0.0125 0.0178 -0.0026 6481 SER 101 N -0.0028 0.0034 0.0029 6482 SER 101 CA -0.0025 0.0034 0.0032 6483 SER 101 C -0.0013 0.0030 0.0034 6484 SER 101 O -0.0008 0.0029 0.0038 6485 SER 101 CB -0.0031 0.0039 0.0043 6486 SER 101 OG -0.0040 0.0042 0.0044 6487 SER 101 H1 -0.0024 0.0034 0.0035 6488 SER 101 H2 -0.0026 0.0031 0.0021 6489 SER 101 H3 -0.0036 0.0037 0.0029 6490 SER 101 HA -0.0028 0.0033 0.0026 6491 SER 101 HB2 -0.0025 0.0039 0.0050 6492 SER 101 HB3 -0.0033 0.0040 0.0043 6493 SER 101 HG -0.0046 0.0044 0.0044 6494 TRP 102 N -0.0009 0.0028 0.0032 6495 TRP 102 CA 0.0002 0.0025 0.0033 6496 TRP 102 C 0.0008 0.0020 0.0025 6497 TRP 102 O 0.0005 0.0020 0.0020 6498 TRP 102 CB 0.0007 0.0026 0.0045 6499 TRP 102 CG 0.0019 0.0022 0.0047 6500 TRP 102 CD1 0.0027 0.0019 0.0046 6501 TRP 102 CD2 0.0023 0.0022 0.0051 6502 TRP 102 NE1 0.0037 0.0016 0.0049 6503 TRP 102 CE2 0.0035 0.0018 0.0051 6504 TRP 102 CE3 0.0019 0.0024 0.0053 6505 TRP 102 CZ2 0.0042 0.0016 0.0055 6506 TRP 102 CZ3 0.0026 0.0022 0.0056 6507 TRP 102 CH2 0.0037 0.0018 0.0057 6508 TRP 102 H -0.0014 0.0029 0.0029 6509 TRP 102 HA 0.0003 0.0024 0.0032 6510 TRP 102 HB2 0.0003 0.0029 0.0051 6511 TRP 102 HB3 0.0006 0.0027 0.0046 6512 TRP 102 HD1 0.0026 0.0019 0.0044 6513 TRP 102 HE1 0.0044 0.0014 0.0049 6514 TRP 102 HE3 0.0011 0.0027 0.0052 6515 TRP 102 HZ2 0.0050 0.0013 0.0055 6516 TRP 102 HZ3 0.0023 0.0024 0.0058 6517 TRP 102 HH2 0.0043 0.0017 0.0060 6518 GLU 103 N 0.0017 0.0016 0.0022 6519 GLU 103 CA 0.0024 0.0012 0.0014 6520 GLU 103 C 0.0035 0.0008 0.0015 6521 GLU 103 O 0.0037 0.0009 0.0022 6522 GLU 103 CB 0.0019 0.0010 0.0002 6523 GLU 103 CG 0.0018 0.0009 -0.0005 6524 GLU 103 CD 0.0029 0.0004 -0.0009 6525 GLU 103 OE1 0.0036 0.0003 -0.0002 6526 GLU 103 OE2 0.0031 0.0001 -0.0019 6527 GLU 103 H 0.0019 0.0017 0.0025 6528 GLU 103 HA 0.0025 0.0012 0.0015 6529 GLU 103 HB2 0.0011 0.0013 0.0002 6530 GLU 103 HB3 0.0024 0.0008 -0.0002 6531 GLU 103 HG2 0.0015 0.0011 -0.0001 6532 GLU 103 HG3 0.0013 0.0009 -0.0013 6533 SER 104 N 0.0042 0.0004 0.0009 6534 SER 104 CA 0.0053 0.0000 0.0010 6535 SER 104 C 0.0054 -0.0001 0.0004 6536 SER 104 O 0.0046 0.0000 -0.0001 6537 SER 104 CB 0.0061 -0.0004 0.0004 6538 SER 104 OG 0.0055 -0.0004 -0.0006 6539 SER 104 H 0.0041 0.0003 0.0004 6540 SER 104 HA 0.0056 0.0002 0.0018 6541 SER 104 HB2 0.0068 -0.0007 0.0002 6542 SER 104 HB3 0.0063 -0.0003 0.0009 6543 SER 104 HG 0.0049 -0.0002 -0.0004 6544 HIS 105 N 0.0063 -0.0004 0.0006 6545 HIS 105 CA 0.0064 -0.0006 0.0002 6546 HIS 105 C 0.0065 -0.0009 -0.0011 6547 HIS 105 O 0.0072 -0.0013 -0.0015 6548 HIS 105 CB 0.0074 -0.0008 0.0007 6549 HIS 105 CG 0.0072 -0.0006 0.0011 6550 HIS 105 ND1 0.0071 -0.0003 0.0022 6551 HIS 105 CD2 0.0070 -0.0007 0.0005 6552 HIS 105 CE1 0.0069 -0.0002 0.0022 6553 HIS 105 NE2 0.0068 -0.0004 0.0012 6554 HIS 105 H 0.0069 -0.0005 0.0011 6555 HIS 105 HA 0.0057 -0.0003 0.0003 6556 HIS 105 HB2 0.0077 -0.0007 0.0014 6557 HIS 105 HB3 0.0080 -0.0011 0.0001 6558 HIS 105 HD2 0.0069 -0.0009 -0.0004 6559 HIS 105 HE1 0.0069 0.0000 0.0030 6560 HIS 105 HE2 0.0069 -0.0005 0.0010 6561 LYS 106 N 0.0057 -0.0008 -0.0017 6562 LYS 106 CA 0.0057 -0.0011 -0.0029 6563 LYS 106 C 0.0059 -0.0013 -0.0033 6564 LYS 106 O 0.0064 -0.0013 -0.0027 6565 LYS 106 CB 0.0046 -0.0009 -0.0034 6566 LYS 106 CG 0.0047 -0.0010 -0.0039 6567 LYS 106 CD 0.0048 -0.0009 -0.0031 6568 LYS 106 CE 0.0048 -0.0010 -0.0037 6569 LYS 106 NZ 0.0049 -0.0008 -0.0029 6570 LYS 106 H 0.0052 -0.0005 -0.0013 6571 LYS 106 HA 0.0063 -0.0014 -0.0032 6572 LYS 106 HB2 0.0041 -0.0005 -0.0027 6573 LYS 106 HB3 0.0043 -0.0009 -0.0040 6574 LYS 106 HG2 0.0039 -0.0009 -0.0045 6575 LYS 106 HG3 0.0053 -0.0014 -0.0045 6576 LYS 106 HD2 0.0056 -0.0010 -0.0026 6577 LYS 106 HD3 0.0042 -0.0005 -0.0026 6578 LYS 106 HE2 0.0041 -0.0009 -0.0042 6579 LYS 106 HE3 0.0055 -0.0014 -0.0042 6580 LYS 106 HZ1 0.0042 -0.0005 -0.0025 6581 LYS 106 HZ2 0.0056 -0.0009 -0.0023 6582 LYS 106 HZ3 0.0050 -0.0010 -0.0033 6583 SER 107 N 0.0040 0.0020 0.0002 6584 SER 107 CA 0.0038 0.0022 0.0002 6585 SER 107 C 0.0036 0.0021 0.0002 6586 SER 107 O 0.0035 0.0020 0.0003 6587 SER 107 CB 0.0039 0.0024 0.0001 6588 SER 107 OG 0.0042 0.0025 0.0001 6589 SER 107 H 0.0042 0.0021 0.0002 6590 SER 107 HA 0.0038 0.0022 0.0002 6591 SER 107 HB2 0.0038 0.0024 0.0001 6592 SER 107 HB3 0.0038 0.0026 0.0001 6593 SER 107 HG 0.0042 0.0025 0.0001 6594 GLY 108 N 0.0034 0.0022 0.0002 6595 GLY 108 CA 0.0031 0.0021 0.0003 6596 GLY 108 C 0.0030 0.0020 0.0003 6597 GLY 108 O 0.0028 0.0020 0.0003 6598 GLY 108 H 0.0034 0.0022 0.0002 6599 GLY 108 HA2 0.0030 0.0022 0.0002 6600 GLY 108 HA3 0.0031 0.0020 0.0003 6601 GLY 109 N 0.0031 0.0018 0.0004 6602 GLY 109 CA 0.0030 0.0017 0.0004 6603 GLY 109 C 0.0029 0.0014 0.0005 6604 GLY 109 O 0.0029 0.0013 0.0005 6605 GLY 109 H 0.0033 0.0018 0.0003 6606 GLY 109 HA2 0.0032 0.0016 0.0004 6607 GLY 109 HA3 0.0029 0.0018 0.0004 6608 GLU 110 N 0.0027 0.0014 0.0005 6609 GLU 110 CA 0.0025 0.0012 0.0006 6610 GLU 110 C 0.0022 0.0012 0.0006 6611 GLU 110 O 0.0022 0.0012 0.0006 6612 GLU 110 CB 0.0026 0.0009 0.0006 6613 GLU 110 CG 0.0028 0.0007 0.0007 6614 GLU 110 CD 0.0026 0.0006 0.0007 6615 GLU 110 OE1 0.0025 0.0004 0.0008 6616 GLU 110 OE2 0.0025 0.0006 0.0007 6617 GLU 110 H 0.0027 0.0015 0.0005 6618 GLU 110 HA 0.0025 0.0011 0.0006 6619 GLU 110 HB2 0.0028 0.0010 0.0006 6620 GLU 110 HB3 0.0025 0.0008 0.0007 6621 GLU 110 HG2 0.0029 0.0008 0.0007 6622 GLU 110 HG3 0.0029 0.0006 0.0007 6623 THR 111 N 0.0021 0.0012 0.0006 6624 THR 111 CA 0.0018 0.0013 0.0006 6625 THR 111 C 0.0016 0.0011 0.0007 6626 THR 111 O 0.0015 0.0012 0.0006 6627 THR 111 CB 0.0017 0.0016 0.0005 6628 THR 111 OG1 0.0019 0.0017 0.0005 6629 THR 111 CG2 0.0015 0.0017 0.0005 6630 THR 111 H 0.0021 0.0012 0.0006 6631 THR 111 HA 0.0018 0.0013 0.0006 6632 THR 111 HB 0.0017 0.0016 0.0005 6633 THR 111 HG1 0.0021 0.0016 0.0005 6634 THR 111 HG21 0.0014 0.0018 0.0005 6635 THR 111 HG22 0.0015 0.0016 0.0005 6636 THR 111 HG23 0.0013 0.0015 0.0006 6637 ARG 112 N 0.0016 0.0009 0.0007 6638 ARG 112 CA 0.0014 0.0007 0.0008 6639 ARG 112 C 0.0011 0.0008 0.0008 6640 ARG 112 O 0.0010 0.0009 0.0008 6641 ARG 112 CB 0.0015 0.0005 0.0009 6642 ARG 112 CG 0.0013 0.0004 0.0009 6643 ARG 112 CD 0.0011 0.0002 0.0010 6644 ARG 112 NE 0.0010 -0.0000 0.0010 6645 ARG 112 CZ 0.0008 -0.0001 0.0011 6646 ARG 112 NH1 0.0006 -0.0001 0.0011 6647 ARG 112 NH2 0.0007 -0.0003 0.0011 6648 ARG 112 H 0.0016 0.0009 0.0007 6649 ARG 112 HA 0.0014 0.0007 0.0008 6650 ARG 112 HB2 0.0015 0.0003 0.0009 6651 ARG 112 HB3 0.0017 0.0005 0.0008 6652 ARG 112 HG2 0.0014 0.0003 0.0009 6653 ARG 112 HG3 0.0012 0.0005 0.0009 6654 ARG 112 HD2 0.0009 0.0003 0.0010 6655 ARG 112 HD3 0.0012 0.0001 0.0010 6656 ARG 112 HE 0.0012 -0.0001 0.0010 6657 ARG 112 HH11 0.0006 0.0001 0.0010 6658 ARG 112 HH12 0.0004 -0.0002 0.0011 6659 ARG 112 HH21 0.0009 -0.0003 0.0011 6660 ARG 112 HH22 0.0006 -0.0004 0.0012 6661 LEU 113 N -0.0002 0.0019 0.0009 6662 LEU 113 CA -0.0009 0.0019 0.0006 6663 LEU 113 C -0.0012 0.0012 0.0004 6664 LEU 113 O -0.0015 0.0010 0.0002 6665 LEU 113 CB -0.0009 0.0022 0.0006 6666 LEU 113 CG -0.0003 0.0020 0.0009 6667 LEU 113 CD1 -0.0002 0.0012 0.0009 6668 LEU 113 CD2 -0.0004 0.0024 0.0009 6669 LEU 113 OXT -0.0011 0.0008 0.0004 6670 LEU 113 H 0.0000 0.0015 0.0010 6671 LEU 113 HA -0.0012 0.0023 0.0005 6672 LEU 113 HB2 -0.0013 0.0020 0.0004 6673 LEU 113 HB3 -0.0010 0.0028 0.0007 6674 LEU 113 HG 0.0001 0.0023 0.0011 6675 LEU 113 HD11 -0.0001 0.0010 0.0009 6676 LEU 113 HD12 0.0003 0.0011 0.0011 6677 LEU 113 HD13 -0.0005 0.0010 0.0007 6678 LEU 113 HD21 -0.0008 0.0021 0.0007 6679 LEU 113 HD22 0.0000 0.0023 0.0011 6680 LEU 113 HD23 -0.0005 0.0029 0.0009 6681 GLY 1 N -0.0103 -0.0010 0.0118 6682 GLY 1 CA -0.0092 -0.0005 0.0104 6683 GLY 1 C -0.0062 -0.0015 0.0083 6684 GLY 1 O -0.0051 0.0003 0.0062 6685 GLY 1 H1 -0.0096 -0.0001 0.0105 6686 GLY 1 H2 -0.0124 -0.0000 0.0130 6687 GLY 1 H3 -0.0098 -0.0034 0.0128 6688 GLY 1 HA2 -0.0100 0.0019 0.0096 6689 GLY 1 HA3 -0.0098 -0.0017 0.0117 6690 GLY 2 N -0.0048 -0.0043 0.0089 6691 GLY 2 CA -0.0019 -0.0055 0.0071 6692 GLY 2 C -0.0008 -0.0083 0.0079 6693 GLY 2 O -0.0024 -0.0095 0.0100 6694 GLY 2 H -0.0058 -0.0056 0.0106 6695 GLY 2 HA2 -0.0012 -0.0061 0.0068 6696 GLY 2 HA3 -0.0012 -0.0038 0.0053 6697 SER 3 N 0.0018 -0.0095 0.0062 6698 SER 3 CA 0.0031 -0.0121 0.0067 6699 SER 3 C 0.0056 -0.0119 0.0043 6700 SER 3 O 0.0064 -0.0099 0.0023 6701 SER 3 CB 0.0038 -0.0150 0.0079 6702 SER 3 OG 0.0015 -0.0153 0.0102 6703 SER 3 H 0.0029 -0.0084 0.0045 6704 SER 3 HA 0.0017 -0.0122 0.0080 6705 SER 3 HB2 0.0051 -0.0149 0.0066 6706 SER 3 HB3 0.0048 -0.0170 0.0083 6707 SER 3 HG 0.0000 -0.0133 0.0103 6708 MET 4 N 0.0067 -0.0140 0.0046 6709 MET 4 CA 0.0091 -0.0141 0.0025 6710 MET 4 C 0.0086 -0.0112 0.0011 6711 MET 4 O 0.0094 -0.0092 -0.0009 6712 MET 4 CB 0.0115 -0.0147 0.0008 6713 MET 4 CG 0.0134 -0.0180 0.0011 6714 MET 4 SD 0.0162 -0.0187 -0.0010 6715 MET 4 CE 0.0175 -0.0159 -0.0040 6716 MET 4 H 0.0059 -0.0155 0.0063 6717 MET 4 HA 0.0096 -0.0160 0.0033 6718 MET 4 HB2 0.0107 -0.0141 0.0011 6719 MET 4 HB3 0.0126 -0.0133 -0.0011 6720 MET 4 HG2 0.0141 -0.0186 0.0009 6721 MET 4 HG3 0.0123 -0.0194 0.0030 6722 MET 4 HE1 0.0178 -0.0162 -0.0041 6723 MET 4 HE2 0.0161 -0.0137 -0.0041 6724 MET 4 HE3 0.0194 -0.0162 -0.0055 6725 ARG 5 N 0.0073 -0.0109 0.0021 6726 ARG 5 CA 0.0067 -0.0082 0.0009 6727 ARG 5 C 0.0093 -0.0084 -0.0013 6728 ARG 5 O 0.0108 -0.0108 -0.0011 6729 ARG 5 CB 0.0045 -0.0080 0.0028 6730 ARG 5 CG 0.0018 -0.0073 0.0048 6731 ARG 5 CD 0.0014 -0.0102 0.0070 6732 ARG 5 NE -0.0013 -0.0096 0.0090 6733 ARG 5 CZ -0.0020 -0.0117 0.0111 6734 ARG 5 NH1 -0.0003 -0.0145 0.0113 6735 ARG 5 NH2 -0.0044 -0.0110 0.0128 6736 ARG 5 H 0.0066 -0.0125 0.0037 6737 ARG 5 HA 0.0060 -0.0062 0.0003 6738 ARG 5 HB2 0.0051 -0.0102 0.0037 6739 ARG 5 HB3 0.0044 -0.0062 0.0018 6740 ARG 5 HG2 0.0002 -0.0062 0.0055 6741 ARG 5 HG3 0.0015 -0.0058 0.0041 6742 ARG 5 HD2 0.0029 -0.0112 0.0063 6743 ARG 5 HD3 0.0017 -0.0117 0.0077 6744 ARG 5 HE -0.0026 -0.0075 0.0089 6745 ARG 5 HH11 0.0016 -0.0151 0.0100 6746 ARG 5 HH12 -0.0008 -0.0161 0.0128 6747 ARG 5 HH21 -0.0058 -0.0088 0.0127 6748 ARG 5 HH22 -0.0050 -0.0126 0.0143 6749 PRO 6 N 0.0098 -0.0058 -0.0035 6750 PRO 6 CA 0.0123 -0.0057 -0.0057 6751 PRO 6 C 0.0119 -0.0050 -0.0059 6752 PRO 6 O 0.0105 -0.0025 -0.0062 6753 PRO 6 CB 0.0128 -0.0031 -0.0078 6754 PRO 6 CG 0.0104 -0.0018 -0.0066 6755 PRO 6 CD 0.0083 -0.0028 -0.0040 6756 PRO 6 HA 0.0140 -0.0078 -0.0059 6757 PRO 6 HB2 0.0129 -0.0015 -0.0090 6758 PRO 6 HB3 0.0146 -0.0040 -0.0089 6759 PRO 6 HG2 0.0097 0.0006 -0.0075 6760 PRO 6 HG3 0.0110 -0.0026 -0.0065 6761 PRO 6 HD2 0.0071 -0.0013 -0.0039 6762 PRO 6 HD3 0.0070 -0.0029 -0.0027 6763 PRO 7 N 0.0043 -0.0053 -0.0005 6764 PRO 7 CA 0.0036 -0.0045 -0.0005 6765 PRO 7 C 0.0027 -0.0048 -0.0010 6766 PRO 7 O 0.0024 -0.0051 -0.0014 6767 PRO 7 CB 0.0035 -0.0039 -0.0002 6768 PRO 7 CG 0.0044 -0.0043 0.0001 6769 PRO 7 CD 0.0046 -0.0052 -0.0003 6770 PRO 7 HA 0.0037 -0.0042 -0.0002 6771 PRO 7 HB2 0.0030 -0.0040 -0.0005 6772 PRO 7 HB3 0.0035 -0.0033 0.0002 6773 PRO 7 HG2 0.0042 -0.0041 0.0001 6774 PRO 7 HG3 0.0049 -0.0039 0.0005 6775 PRO 7 HD2 0.0043 -0.0056 -0.0007 6776 PRO 7 HD3 0.0053 -0.0054 -0.0001 6777 ILE 8 N 0.0023 -0.0045 -0.0011 6778 ILE 8 CA 0.0015 -0.0047 -0.0016 6779 ILE 8 C 0.0008 -0.0039 -0.0015 6780 ILE 8 O 0.0007 -0.0032 -0.0012 6781 ILE 8 CB 0.0014 -0.0048 -0.0017 6782 ILE 8 CG1 0.0023 -0.0053 -0.0015 6783 ILE 8 CG2 0.0008 -0.0054 -0.0023 6784 ILE 8 CD1 0.0025 -0.0050 -0.0012 6785 ILE 8 H 0.0027 -0.0043 -0.0008 6786 ILE 8 HA 0.0014 -0.0053 -0.0020 6787 ILE 8 HB 0.0012 -0.0042 -0.0015 6788 ILE 8 HG12 0.0023 -0.0060 -0.0019 6789 ILE 8 HG13 0.0028 -0.0052 -0.0012 6790 ILE 8 HG21 0.0011 -0.0060 -0.0026 6791 ILE 8 HG22 0.0002 -0.0052 -0.0025 6792 ILE 8 HG23 0.0006 -0.0053 -0.0024 6793 ILE 8 HD11 0.0031 -0.0054 -0.0012 6794 ILE 8 HD12 0.0020 -0.0049 -0.0015 6795 ILE 8 HD13 0.0027 -0.0044 -0.0008 6796 ILE 9 N 0.0003 -0.0041 -0.0019 6797 ILE 9 CA -0.0004 -0.0034 -0.0018 6798 ILE 9 C -0.0012 -0.0032 -0.0021 6799 ILE 9 O -0.0017 -0.0037 -0.0026 6800 ILE 9 CB -0.0007 -0.0036 -0.0021 6801 ILE 9 CG1 0.0001 -0.0041 -0.0020 6802 ILE 9 CG2 -0.0011 -0.0028 -0.0019 6803 ILE 9 CD1 0.0007 -0.0036 -0.0014 6804 ILE 9 H 0.0004 -0.0046 -0.0021 6805 ILE 9 HA -0.0001 -0.0028 -0.0014 6806 ILE 9 HB -0.0012 -0.0040 -0.0025 6807 ILE 9 HG12 0.0004 -0.0046 -0.0021 6808 ILE 9 HG13 -0.0002 -0.0044 -0.0023 6809 ILE 9 HG21 -0.0017 -0.0025 -0.0020 6810 ILE 9 HG22 -0.0013 -0.0029 -0.0020 6811 ILE 9 HG23 -0.0007 -0.0024 -0.0014 6812 ILE 9 HD11 0.0012 -0.0040 -0.0014 6813 ILE 9 HD12 0.0011 -0.0034 -0.0011 6814 ILE 9 HD13 0.0004 -0.0030 -0.0012 6815 ILE 10 N -0.0013 -0.0025 -0.0018 6816 ILE 10 CA -0.0020 -0.0023 -0.0020 6817 ILE 10 C -0.0028 -0.0018 -0.0022 6818 ILE 10 O -0.0026 -0.0015 -0.0019 6819 ILE 10 CB -0.0019 -0.0016 -0.0016 6820 ILE 10 CG1 -0.0011 -0.0020 -0.0014 6821 ILE 10 CG2 -0.0027 -0.0015 -0.0019 6822 ILE 10 CD1 -0.0006 -0.0013 -0.0008 6823 ILE 10 H -0.0008 -0.0022 -0.0014 6824 ILE 10 HA -0.0022 -0.0028 -0.0024 6825 ILE 10 HB -0.0019 -0.0010 -0.0013 6826 ILE 10 HG12 -0.0013 -0.0022 -0.0017 6827 ILE 10 HG13 -0.0007 -0.0025 -0.0015 6828 ILE 10 HG21 -0.0026 -0.0012 -0.0017 6829 ILE 10 HG22 -0.0030 -0.0021 -0.0024 6830 ILE 10 HG23 -0.0032 -0.0010 -0.0019 6831 ILE 10 HD11 -0.0006 -0.0009 -0.0005 6832 ILE 10 HD12 0.0000 -0.0016 -0.0006 6833 ILE 10 HD13 -0.0010 -0.0009 -0.0007 6834 HIS 11 N -0.0036 -0.0017 -0.0025 6835 HIS 11 CA -0.0043 -0.0013 -0.0026 6836 HIS 11 C -0.0050 -0.0008 -0.0027 6837 HIS 11 O -0.0053 -0.0011 -0.0030 6838 HIS 11 CB -0.0048 -0.0020 -0.0032 6839 HIS 11 CG -0.0055 -0.0016 -0.0034 6840 HIS 11 ND1 -0.0063 -0.0018 -0.0039 6841 HIS 11 CD2 -0.0056 -0.0009 -0.0031 6842 HIS 11 CE1 -0.0068 -0.0013 -0.0039 6843 HIS 11 NE2 -0.0064 -0.0008 -0.0034 6844 HIS 11 H -0.0037 -0.0020 -0.0027 6845 HIS 11 HA -0.0041 -0.0009 -0.0023 6846 HIS 11 HB2 -0.0043 -0.0023 -0.0032 6847 HIS 11 HB3 -0.0050 -0.0024 -0.0035 6848 HIS 11 HD2 -0.0050 -0.0006 -0.0026 6849 HIS 11 HE1 -0.0075 -0.0014 -0.0042 6850 HIS 11 HE2 -0.0066 -0.0004 -0.0033 6851 ARG 12 N -0.0051 0.0001 -0.0023 6852 ARG 12 CA -0.0057 0.0007 -0.0022 6853 ARG 12 C -0.0067 0.0005 -0.0028 6854 ARG 12 O -0.0071 0.0009 -0.0028 6855 ARG 12 CB -0.0057 0.0016 -0.0017 6856 ARG 12 CG -0.0059 0.0022 -0.0015 6857 ARG 12 CD -0.0057 0.0030 -0.0009 6858 ARG 12 NE -0.0059 0.0036 -0.0007 6859 ARG 12 CZ -0.0058 0.0044 -0.0002 6860 ARG 12 NH1 -0.0053 0.0047 0.0002 6861 ARG 12 NH2 -0.0060 0.0049 -0.0000 6862 ARG 12 H -0.0048 0.0003 -0.0020 6863 ARG 12 HA -0.0055 0.0005 -0.0022 6864 ARG 12 HB2 -0.0050 0.0016 -0.0014 6865 ARG 12 HB3 -0.0061 0.0018 -0.0018 6866 ARG 12 HG2 -0.0066 0.0023 -0.0018 6867 ARG 12 HG3 -0.0056 0.0019 -0.0015 6868 ARG 12 HD2 -0.0049 0.0029 -0.0006 6869 ARG 12 HD3 -0.0059 0.0033 -0.0009 6870 ARG 12 HE -0.0063 0.0035 -0.0010 6871 ARG 12 HH11 -0.0051 0.0043 0.0001 6872 ARG 12 HH12 -0.0052 0.0053 0.0006 6873 ARG 12 HH21 -0.0064 0.0047 -0.0003 6874 ARG 12 HH22 -0.0059 0.0055 0.0004 6875 ALA 13 N -0.0075 -0.0005 -0.0033 6876 ALA 13 CA -0.0086 -0.0007 -0.0039 6877 ALA 13 C -0.0093 0.0003 -0.0039 6878 ALA 13 O -0.0098 0.0002 -0.0041 6879 ALA 13 CB -0.0086 -0.0017 -0.0042 6880 ALA 13 H -0.0070 -0.0008 -0.0031 6881 ALA 13 HA -0.0089 -0.0008 -0.0041 6882 ALA 13 HB1 -0.0094 -0.0018 -0.0046 6883 ALA 13 HB2 -0.0082 -0.0015 -0.0040 6884 ALA 13 HB3 -0.0081 -0.0024 -0.0042 6885 GLY 14 N -0.0092 0.0013 -0.0035 6886 GLY 14 CA -0.0098 0.0023 -0.0035 6887 GLY 14 C -0.0094 0.0027 -0.0031 6888 GLY 14 O -0.0099 0.0034 -0.0032 6889 GLY 14 H -0.0088 0.0013 -0.0033 6890 GLY 14 HA2 -0.0098 0.0029 -0.0033 6891 GLY 14 HA3 -0.0106 0.0021 -0.0039 6892 LYS 15 N -0.0084 0.0022 -0.0028 6893 LYS 15 CA -0.0079 0.0026 -0.0025 6894 LYS 15 C -0.0068 0.0027 -0.0019 6895 LYS 15 O -0.0066 0.0036 -0.0015 6896 LYS 15 CB -0.0080 0.0018 -0.0028 6897 LYS 15 CG -0.0081 0.0006 -0.0032 6898 LYS 15 CD -0.0078 -0.0002 -0.0033 6899 LYS 15 CE -0.0083 0.0001 -0.0035 6900 LYS 15 NZ -0.0080 -0.0007 -0.0036 6901 LYS 15 H -0.0081 0.0017 -0.0028 6902 LYS 15 HA -0.0083 0.0034 -0.0024 6903 LYS 15 HB2 -0.0073 0.0017 -0.0024 6904 LYS 15 HB3 -0.0087 0.0021 -0.0030 6905 LYS 15 HG2 -0.0089 0.0006 -0.0036 6906 LYS 15 HG3 -0.0076 0.0004 -0.0030 6907 LYS 15 HD2 -0.0079 -0.0010 -0.0036 6908 LYS 15 HD3 -0.0070 -0.0002 -0.0029 6909 LYS 15 HE2 -0.0082 0.0009 -0.0032 6910 LYS 15 HE3 -0.0092 0.0000 -0.0039 6911 LYS 15 HZ1 -0.0081 -0.0015 -0.0039 6912 LYS 15 HZ2 -0.0084 -0.0005 -0.0037 6913 LYS 15 HZ3 -0.0072 -0.0007 -0.0032 6914 LYS 16 N -0.0061 0.0018 -0.0018 6915 LYS 16 CA -0.0050 0.0019 -0.0013 6916 LYS 16 C -0.0045 0.0008 -0.0014 6917 LYS 16 O -0.0050 -0.0000 -0.0019 6918 LYS 16 CB -0.0045 0.0022 -0.0009 6919 LYS 16 CG -0.0049 0.0017 -0.0013 6920 LYS 16 CD -0.0049 0.0025 -0.0011 6921 LYS 16 CE -0.0053 0.0019 -0.0014 6922 LYS 16 NZ -0.0055 0.0027 -0.0012 6923 LYS 16 H -0.0064 0.0011 -0.0022 6924 LYS 16 HA -0.0049 0.0025 -0.0011 6925 LYS 16 HB2 -0.0037 0.0019 -0.0006 6926 LYS 16 HB3 -0.0047 0.0031 -0.0007 6927 LYS 16 HG2 -0.0057 0.0015 -0.0017 6928 LYS 16 HG3 -0.0044 0.0009 -0.0013 6929 LYS 16 HD2 -0.0042 0.0027 -0.0006 6930 LYS 16 HD3 -0.0055 0.0032 -0.0011 6931 LYS 16 HE2 -0.0059 0.0015 -0.0018 6932 LYS 16 HE3 -0.0046 0.0013 -0.0013 6933 LYS 16 HZ1 -0.0057 0.0023 -0.0015 6934 LYS 16 HZ2 -0.0061 0.0033 -0.0013 6935 LYS 16 HZ3 -0.0049 0.0031 -0.0008 6936 TYR 17 N -0.0035 0.0007 -0.0009 6937 TYR 17 CA -0.0029 -0.0003 -0.0010 6938 TYR 17 C -0.0025 -0.0011 -0.0010 6939 TYR 17 O -0.0020 -0.0019 -0.0010 6940 TYR 17 CB -0.0020 -0.0001 -0.0005 6941 TYR 17 CG -0.0024 0.0007 -0.0004 6942 TYR 17 CD1 -0.0024 0.0018 0.0000 6943 TYR 17 CD2 -0.0027 0.0004 -0.0006 6944 TYR 17 CE1 -0.0027 0.0026 0.0001 6945 TYR 17 CE2 -0.0030 0.0012 -0.0005 6946 TYR 17 CZ -0.0030 0.0023 -0.0002 6947 TYR 17 OH -0.0034 0.0031 -0.0001 6948 TYR 17 H -0.0031 0.0013 -0.0005 6949 TYR 17 HA -0.0034 -0.0008 -0.0014 6950 TYR 17 HB2 -0.0014 0.0001 -0.0001 6951 TYR 17 HB3 -0.0017 -0.0009 -0.0006 6952 TYR 17 HD1 -0.0021 0.0021 0.0002 6953 TYR 17 HD2 -0.0027 -0.0004 -0.0009 6954 TYR 17 HE1 -0.0027 0.0035 0.0004 6955 TYR 17 HE2 -0.0033 0.0010 -0.0007 6956 TYR 17 HH -0.0036 0.0028 -0.0003 6957 GLY 18 N -0.0029 -0.0007 -0.0011 6958 GLY 18 CA -0.0027 -0.0013 -0.0012 6959 GLY 18 C -0.0016 -0.0017 -0.0007 6960 GLY 18 O -0.0013 -0.0026 -0.0009 6961 GLY 18 H -0.0033 0.0000 -0.0011 6962 GLY 18 HA2 -0.0030 -0.0008 -0.0012 6963 GLY 18 HA3 -0.0031 -0.0020 -0.0016 6964 PHE 19 N 0.0006 -0.0002 0.0010 6965 PHE 19 CA 0.0009 -0.0003 0.0012 6966 PHE 19 C 0.0012 -0.0000 0.0011 6967 PHE 19 O 0.0011 0.0003 0.0009 6968 PHE 19 CB 0.0008 -0.0006 0.0012 6969 PHE 19 CG 0.0008 -0.0004 0.0011 6970 PHE 19 CD1 0.0004 -0.0002 0.0009 6971 PHE 19 CD2 0.0010 -0.0003 0.0012 6972 PHE 19 CE1 0.0004 -0.0001 0.0008 6973 PHE 19 CE2 0.0009 -0.0002 0.0011 6974 PHE 19 CZ 0.0006 -0.0000 0.0009 6975 PHE 19 H 0.0006 -0.0000 0.0009 6976 PHE 19 HA 0.0011 -0.0005 0.0013 6977 PHE 19 HB2 0.0011 -0.0007 0.0014 6978 PHE 19 HB3 0.0006 -0.0007 0.0013 6979 PHE 19 HD1 0.0003 -0.0003 0.0009 6980 PHE 19 HD2 0.0012 -0.0004 0.0013 6981 PHE 19 HE1 0.0001 0.0000 0.0006 6982 PHE 19 HE2 0.0011 -0.0001 0.0011 6983 PHE 19 HZ 0.0006 0.0001 0.0008 6984 THR 20 N 0.0015 -0.0001 0.0013 6985 THR 20 CA 0.0019 0.0002 0.0013 6986 THR 20 C 0.0020 0.0002 0.0013 6987 THR 20 O 0.0021 -0.0001 0.0015 6988 THR 20 CB 0.0022 0.0001 0.0014 6989 THR 20 OG1 0.0021 0.0002 0.0014 6990 THR 20 CG2 0.0025 0.0004 0.0014 6991 THR 20 H 0.0016 -0.0003 0.0014 6992 THR 20 HA 0.0018 0.0004 0.0011 6993 THR 20 HB 0.0022 -0.0001 0.0016 6994 THR 20 HG1 0.0019 0.0000 0.0014 6995 THR 20 HG21 0.0025 0.0007 0.0013 6996 THR 20 HG22 0.0025 0.0004 0.0014 6997 THR 20 HG23 0.0027 0.0003 0.0016 6998 LEU 21 N 0.0019 0.0004 0.0012 6999 LEU 21 CA 0.0021 0.0005 0.0012 7000 LEU 21 C 0.0025 0.0006 0.0013 7001 LEU 21 O 0.0026 0.0009 0.0012 7002 LEU 21 CB 0.0018 0.0007 0.0010 7003 LEU 21 CG 0.0017 0.0005 0.0011 7004 LEU 21 CD1 0.0018 0.0002 0.0013 7005 LEU 21 CD2 0.0014 0.0005 0.0009 7006 LEU 21 H 0.0019 0.0006 0.0010 7007 LEU 21 HA 0.0020 0.0002 0.0013 7008 LEU 21 HB2 0.0016 0.0007 0.0009 7009 LEU 21 HB3 0.0020 0.0009 0.0009 7010 LEU 21 HG 0.0019 0.0007 0.0010 7011 LEU 21 HD11 0.0017 0.0001 0.0013 7012 LEU 21 HD12 0.0016 0.0000 0.0013 7013 LEU 21 HD13 0.0021 0.0001 0.0014 7014 LEU 21 HD21 0.0013 0.0005 0.0009 7015 LEU 21 HD22 0.0013 0.0008 0.0007 7016 LEU 21 HD23 0.0012 0.0004 0.0009 7017 ARG 22 N 0.0027 0.0004 0.0015 7018 ARG 22 CA 0.0031 0.0005 0.0016 7019 ARG 22 C 0.0032 0.0006 0.0016 7020 ARG 22 O 0.0030 0.0004 0.0016 7021 ARG 22 CB 0.0032 0.0002 0.0018 7022 ARG 22 CG 0.0036 0.0003 0.0019 7023 ARG 22 CD 0.0036 0.0004 0.0019 7024 ARG 22 NE 0.0039 0.0004 0.0020 7025 ARG 22 CZ 0.0040 0.0006 0.0019 7026 ARG 22 NH1 0.0037 0.0008 0.0018 7027 ARG 22 NH2 0.0043 0.0006 0.0021 7028 ARG 22 H 0.0026 0.0002 0.0016 7029 ARG 22 HA 0.0031 0.0007 0.0015 7030 ARG 22 HB2 0.0031 0.0001 0.0019 7031 ARG 22 HB3 0.0033 0.0001 0.0019 7032 ARG 22 HG2 0.0037 0.0001 0.0021 7033 ARG 22 HG3 0.0037 0.0005 0.0019 7034 ARG 22 HD2 0.0035 0.0007 0.0017 7035 ARG 22 HD3 0.0034 0.0003 0.0019 7036 ARG 22 HE 0.0041 0.0003 0.0021 7037 ARG 22 HH11 0.0035 0.0008 0.0017 7038 ARG 22 HH12 0.0038 0.0009 0.0017 7039 ARG 22 HH21 0.0045 0.0005 0.0022 7040 ARG 22 HH22 0.0043 0.0007 0.0020 7041 ALA 23 N 0.0034 0.0009 0.0016 7042 ALA 23 CA 0.0036 0.0010 0.0016 7043 ALA 23 C 0.0039 0.0009 0.0018 7044 ALA 23 O 0.0041 0.0009 0.0019 7045 ALA 23 CB 0.0036 0.0014 0.0014 7046 ALA 23 H 0.0035 0.0010 0.0016 7047 ALA 23 HA 0.0034 0.0009 0.0016 7048 ALA 23 HB1 0.0038 0.0015 0.0014 7049 ALA 23 HB2 0.0033 0.0014 0.0012 7050 ALA 23 HB3 0.0037 0.0014 0.0014 7051 ILE 24 N 0.0040 0.0008 0.0019 7052 ILE 24 CA 0.0044 0.0007 0.0020 7053 ILE 24 C 0.0045 0.0008 0.0020 7054 ILE 24 O 0.0042 0.0008 0.0020 7055 ILE 24 CB 0.0044 0.0003 0.0022 7056 ILE 24 CG1 0.0040 0.0001 0.0022 7057 ILE 24 CG2 0.0045 0.0003 0.0023 7058 ILE 24 CD1 0.0040 -0.0002 0.0024 7059 ILE 24 H 0.0038 0.0008 0.0018 7060 ILE 24 HA 0.0045 0.0009 0.0021 7061 ILE 24 HB 0.0046 0.0003 0.0024 7062 ILE 24 HG12 0.0038 0.0002 0.0021 7063 ILE 24 HG13 0.0039 0.0002 0.0021 7064 ILE 24 HG21 0.0047 0.0004 0.0024 7065 ILE 24 HG22 0.0045 -0.0000 0.0025 7066 ILE 24 HG23 0.0043 0.0003 0.0022 7067 ILE 24 HD11 0.0037 -0.0004 0.0024 7068 ILE 24 HD12 0.0041 -0.0003 0.0025 7069 ILE 24 HD13 0.0042 -0.0003 0.0025 7070 ARG 25 N 0.0026 0.0001 0.0003 7071 ARG 25 CA 0.0010 -0.0001 -0.0009 7072 ARG 25 C -0.0004 0.0010 -0.0009 7073 ARG 25 O -0.0007 0.0008 -0.0013 7074 ARG 25 CB 0.0011 -0.0018 -0.0021 7075 ARG 25 CG 0.0027 -0.0030 -0.0021 7076 ARG 25 CD 0.0025 -0.0046 -0.0035 7077 ARG 25 NE 0.0015 -0.0049 -0.0044 7078 ARG 25 CZ 0.0017 -0.0063 -0.0054 7079 ARG 25 NH1 0.0029 -0.0075 -0.0056 7080 ARG 25 NH2 0.0008 -0.0066 -0.0062 7081 ARG 25 H 0.0031 -0.0002 0.0004 7082 ARG 25 HA 0.0008 0.0000 -0.0009 7083 ARG 25 HB2 0.0009 -0.0018 -0.0023 7084 ARG 25 HB3 0.0001 -0.0020 -0.0030 7085 ARG 25 HG2 0.0032 -0.0027 -0.0015 7086 ARG 25 HG3 0.0036 -0.0031 -0.0016 7087 ARG 25 HD2 0.0018 -0.0045 -0.0039 7088 ARG 25 HD3 0.0037 -0.0054 -0.0034 7089 ARG 25 HE 0.0007 -0.0041 -0.0042 7090 ARG 25 HH11 0.0036 -0.0074 -0.0050 7091 ARG 25 HH12 0.0030 -0.0086 -0.0064 7092 ARG 25 HH21 -0.0001 -0.0057 -0.0061 7093 ARG 25 HH22 0.0009 -0.0077 -0.0070 7094 VAL 26 N -0.0012 0.0023 -0.0004 7095 VAL 26 CA -0.0026 0.0035 -0.0003 7096 VAL 26 C -0.0042 0.0031 -0.0017 7097 VAL 26 O -0.0048 0.0031 -0.0021 7098 VAL 26 CB -0.0029 0.0051 0.0008 7099 VAL 26 CG1 -0.0015 0.0057 0.0021 7100 VAL 26 CG2 -0.0029 0.0050 0.0007 7101 VAL 26 H -0.0009 0.0024 -0.0001 7102 VAL 26 HA -0.0023 0.0036 -0.0001 7103 VAL 26 HB -0.0040 0.0059 0.0006 7104 VAL 26 HG11 -0.0015 0.0066 0.0029 7105 VAL 26 HG12 -0.0003 0.0048 0.0022 7106 VAL 26 HG13 -0.0018 0.0062 0.0024 7107 VAL 26 HG21 -0.0038 0.0044 -0.0004 7108 VAL 26 HG22 -0.0017 0.0043 0.0009 7109 VAL 26 HG23 -0.0033 0.0061 0.0013 7110 TYR 27 N -0.0048 0.0029 -0.0023 7111 TYR 27 CA -0.0064 0.0025 -0.0035 7112 TYR 27 C -0.0078 0.0040 -0.0033 7113 TYR 27 O -0.0080 0.0050 -0.0026 7114 TYR 27 CB -0.0064 0.0016 -0.0043 7115 TYR 27 CG -0.0053 -0.0000 -0.0049 7116 TYR 27 CD1 -0.0037 -0.0005 -0.0042 7117 TYR 27 CD2 -0.0060 -0.0012 -0.0063 7118 TYR 27 CE1 -0.0027 -0.0020 -0.0048 7119 TYR 27 CE2 -0.0050 -0.0027 -0.0069 7120 TYR 27 CZ -0.0033 -0.0031 -0.0061 7121 TYR 27 OH -0.0023 -0.0046 -0.0067 7122 TYR 27 H -0.0043 0.0030 -0.0018 7123 TYR 27 HA -0.0064 0.0018 -0.0041 7124 TYR 27 HB2 -0.0060 0.0022 -0.0036 7125 TYR 27 HB3 -0.0077 0.0017 -0.0051 7126 TYR 27 HD1 -0.0032 0.0004 -0.0032 7127 TYR 27 HD2 -0.0073 -0.0009 -0.0069 7128 TYR 27 HE1 -0.0014 -0.0023 -0.0042 7129 TYR 27 HE2 -0.0055 -0.0036 -0.0079 7130 TYR 27 HH -0.0030 -0.0053 -0.0076 7131 MET 28 N -0.0089 0.0041 -0.0039 7132 MET 28 CA -0.0103 0.0055 -0.0038 7133 MET 28 C -0.0118 0.0054 -0.0048 7134 MET 28 O -0.0127 0.0047 -0.0059 7135 MET 28 CB -0.0109 0.0056 -0.0040 7136 MET 28 CG -0.0096 0.0059 -0.0030 7137 MET 28 SD -0.0093 0.0077 -0.0013 7138 MET 28 CE -0.0075 0.0071 -0.0006 7139 MET 28 H -0.0087 0.0032 -0.0045 7140 MET 28 HA -0.0100 0.0064 -0.0028 7141 MET 28 HB2 -0.0111 0.0046 -0.0049 7142 MET 28 HB3 -0.0120 0.0066 -0.0039 7143 MET 28 HG2 -0.0085 0.0050 -0.0029 7144 MET 28 HG3 -0.0100 0.0059 -0.0032 7145 MET 28 HE1 -0.0064 0.0063 -0.0006 7146 MET 28 HE2 -0.0077 0.0065 -0.0012 7147 MET 28 HE3 -0.0072 0.0081 0.0004 7148 GLY 29 N -0.0119 0.0060 -0.0044 7149 GLY 29 CA -0.0132 0.0060 -0.0052 7150 GLY 29 C -0.0127 0.0047 -0.0059 7151 GLY 29 O -0.0112 0.0043 -0.0053 7152 GLY 29 H -0.0112 0.0065 -0.0034 7153 GLY 29 HA2 -0.0137 0.0071 -0.0046 7154 GLY 29 HA3 -0.0143 0.0059 -0.0060 7155 ASP 30 N -0.0138 0.0041 -0.0071 7156 ASP 30 CA -0.0134 0.0029 -0.0079 7157 ASP 30 C -0.0130 0.0013 -0.0089 7158 ASP 30 O -0.0124 0.0001 -0.0094 7159 ASP 30 CB -0.0148 0.0031 -0.0086 7160 ASP 30 CG -0.0144 0.0020 -0.0092 7161 ASP 30 OD1 -0.0133 0.0020 -0.0085 7162 ASP 30 OD2 -0.0151 0.0010 -0.0105 7163 ASP 30 H -0.0149 0.0045 -0.0075 7164 ASP 30 HA -0.0123 0.0029 -0.0072 7165 ASP 30 HB2 -0.0151 0.0043 -0.0079 7166 ASP 30 HB3 -0.0159 0.0031 -0.0093 7167 SER 31 N -0.0153 0.0015 -0.0112 7168 SER 31 CA -0.0150 -0.0002 -0.0118 7169 SER 31 C -0.0130 -0.0013 -0.0109 7170 SER 31 O -0.0119 -0.0005 -0.0098 7171 SER 31 CB -0.0157 0.0003 -0.0120 7172 SER 31 OG -0.0171 0.0021 -0.0122 7173 SER 31 H -0.0157 0.0028 -0.0108 7174 SER 31 HA -0.0157 -0.0012 -0.0128 7175 SER 31 HB2 -0.0147 0.0006 -0.0112 7176 SER 31 HB3 -0.0162 -0.0008 -0.0129 7177 SER 31 HG -0.0170 0.0030 -0.0116 7178 ASP 32 N -0.0126 -0.0030 -0.0115 7179 ASP 32 CA -0.0107 -0.0042 -0.0108 7180 ASP 32 C -0.0097 -0.0035 -0.0097 7181 ASP 32 O -0.0082 -0.0045 -0.0092 7182 ASP 32 CB -0.0107 -0.0064 -0.0118 7183 ASP 32 CG -0.0110 -0.0070 -0.0123 7184 ASP 32 OD1 -0.0123 -0.0060 -0.0127 7185 ASP 32 OD2 -0.0099 -0.0084 -0.0122 7186 ASP 32 H -0.0135 -0.0036 -0.0124 7187 ASP 32 HA -0.0101 -0.0040 -0.0102 7188 ASP 32 HB2 -0.0094 -0.0072 -0.0113 7189 ASP 32 HB3 -0.0117 -0.0067 -0.0126 7190 VAL 33 N -0.0105 -0.0019 -0.0095 7191 VAL 33 CA -0.0096 -0.0011 -0.0085 7192 VAL 33 C -0.0082 -0.0001 -0.0071 7193 VAL 33 O -0.0086 0.0011 -0.0067 7194 VAL 33 CB -0.0109 0.0003 -0.0087 7195 VAL 33 CG1 -0.0121 0.0019 -0.0088 7196 VAL 33 CG2 -0.0099 0.0012 -0.0076 7197 VAL 33 H -0.0117 -0.0011 -0.0099 7198 VAL 33 HA -0.0089 -0.0024 -0.0086 7199 VAL 33 HB -0.0117 -0.0005 -0.0097 7200 VAL 33 HG11 -0.0131 0.0028 -0.0090 7201 VAL 33 HG12 -0.0114 0.0028 -0.0078 7202 VAL 33 HG13 -0.0128 0.0013 -0.0096 7203 VAL 33 HG21 -0.0092 0.0021 -0.0067 7204 VAL 33 HG22 -0.0109 0.0020 -0.0079 7205 VAL 33 HG23 -0.0090 -0.0000 -0.0076 7206 TYR 34 N -0.0066 -0.0007 -0.0062 7207 TYR 34 CA -0.0052 0.0002 -0.0048 7208 TYR 34 C -0.0040 0.0005 -0.0039 7209 TYR 34 O -0.0038 -0.0007 -0.0043 7210 TYR 34 CB -0.0040 -0.0011 -0.0047 7211 TYR 34 CG -0.0031 -0.0032 -0.0051 7212 TYR 34 CD1 -0.0040 -0.0047 -0.0064 7213 TYR 34 CD2 -0.0014 -0.0037 -0.0041 7214 TYR 34 CE1 -0.0033 -0.0066 -0.0067 7215 TYR 34 CE2 -0.0006 -0.0055 -0.0044 7216 TYR 34 CZ -0.0015 -0.0070 -0.0058 7217 TYR 34 OH -0.0008 -0.0088 -0.0061 7218 TYR 34 H -0.0064 -0.0016 -0.0066 7219 TYR 34 HA -0.0057 0.0016 -0.0045 7220 TYR 34 HB2 -0.0029 -0.0005 -0.0036 7221 TYR 34 HB3 -0.0048 -0.0013 -0.0053 7222 TYR 34 HD1 -0.0054 -0.0044 -0.0071 7223 TYR 34 HD2 -0.0007 -0.0025 -0.0030 7224 TYR 34 HE1 -0.0040 -0.0077 -0.0078 7225 TYR 34 HE2 0.0007 -0.0058 -0.0037 7226 TYR 34 HH -0.0014 -0.0091 -0.0067 7227 THR 35 N -0.0033 0.0020 -0.0027 7228 THR 35 CA -0.0022 0.0023 -0.0017 7229 THR 35 C -0.0002 0.0019 -0.0006 7230 THR 35 O 0.0001 0.0024 -0.0001 7231 THR 35 CB -0.0027 0.0045 -0.0011 7232 THR 35 OG1 -0.0044 0.0054 -0.0018 7233 THR 35 CG2 -0.0027 0.0046 -0.0010 7234 THR 35 H -0.0035 0.0029 -0.0024 7235 THR 35 HA -0.0023 0.0014 -0.0022 7236 THR 35 HB -0.0017 0.0052 -0.0000 7237 THR 35 HG1 -0.0051 0.0044 -0.0027 7238 THR 35 HG21 -0.0030 0.0061 -0.0005 7239 THR 35 HG22 -0.0036 0.0038 -0.0020 7240 THR 35 HG23 -0.0013 0.0039 -0.0004 7241 VAL 36 N 0.0010 0.0008 -0.0003 7242 VAL 36 CA 0.0029 0.0003 0.0008 7243 VAL 36 C 0.0038 0.0019 0.0022 7244 VAL 36 O 0.0040 0.0023 0.0025 7245 VAL 36 CB 0.0039 -0.0016 0.0005 7246 VAL 36 CG1 0.0057 -0.0024 0.0014 7247 VAL 36 CG2 0.0028 -0.0032 -0.0009 7248 VAL 36 H 0.0006 0.0004 -0.0007 7249 VAL 36 HA 0.0029 0.0001 0.0007 7250 VAL 36 HB 0.0041 -0.0013 0.0008 7251 VAL 36 HG11 0.0064 -0.0037 0.0012 7252 VAL 36 HG12 0.0055 -0.0027 0.0012 7253 VAL 36 HG13 0.0065 -0.0013 0.0025 7254 VAL 36 HG21 0.0015 -0.0026 -0.0016 7255 VAL 36 HG22 0.0026 -0.0035 -0.0013 7256 VAL 36 HG23 0.0035 -0.0045 -0.0011 7257 HIS 37 N 0.0040 0.0010 0.0016 7258 HIS 37 CA 0.0037 0.0007 0.0017 7259 HIS 37 C 0.0036 0.0007 0.0017 7260 HIS 37 O 0.0037 0.0008 0.0017 7261 HIS 37 CB 0.0039 0.0005 0.0018 7262 HIS 37 CG 0.0040 0.0005 0.0018 7263 HIS 37 ND1 0.0038 0.0005 0.0017 7264 HIS 37 CD2 0.0043 0.0005 0.0018 7265 HIS 37 CE1 0.0040 0.0005 0.0017 7266 HIS 37 NE2 0.0043 0.0005 0.0018 7267 HIS 37 H 0.0042 0.0009 0.0017 7268 HIS 37 HA 0.0036 0.0008 0.0017 7269 HIS 37 HB2 0.0041 0.0004 0.0018 7270 HIS 37 HB3 0.0037 0.0003 0.0018 7271 HIS 37 HD2 0.0045 0.0004 0.0018 7272 HIS 37 HE1 0.0039 0.0005 0.0017 7273 HIS 37 HE2 0.0044 0.0004 0.0018 7274 HIS 38 N 0.0034 0.0005 0.0017 7275 HIS 38 CA 0.0032 0.0004 0.0017 7276 HIS 38 C 0.0031 0.0001 0.0018 7277 HIS 38 O 0.0030 -0.0000 0.0018 7278 HIS 38 CB 0.0029 0.0006 0.0017 7279 HIS 38 CG 0.0030 0.0010 0.0016 7280 HIS 38 ND1 0.0031 0.0011 0.0016 7281 HIS 38 CD2 0.0030 0.0012 0.0015 7282 HIS 38 CE1 0.0032 0.0014 0.0015 7283 HIS 38 NE2 0.0031 0.0014 0.0015 7284 HIS 38 H 0.0033 0.0004 0.0017 7285 HIS 38 HA 0.0033 0.0005 0.0017 7286 HIS 38 HB2 0.0028 0.0006 0.0016 7287 HIS 38 HB3 0.0028 0.0006 0.0017 7288 HIS 38 HD2 0.0029 0.0012 0.0015 7289 HIS 38 HE1 0.0033 0.0015 0.0015 7290 HIS 38 HE2 0.0031 0.0016 0.0015 7291 MET 39 N 0.0030 -0.0000 0.0018 7292 MET 39 CA 0.0029 -0.0003 0.0019 7293 MET 39 C 0.0027 -0.0004 0.0019 7294 MET 39 O 0.0028 -0.0002 0.0018 7295 MET 39 CB 0.0032 -0.0005 0.0019 7296 MET 39 CG 0.0034 -0.0005 0.0019 7297 MET 39 SD 0.0036 -0.0009 0.0020 7298 MET 39 CE 0.0038 -0.0009 0.0020 7299 MET 39 H 0.0031 0.0001 0.0018 7300 MET 39 HA 0.0028 -0.0004 0.0019 7301 MET 39 HB2 0.0033 -0.0005 0.0019 7302 MET 39 HB3 0.0031 -0.0008 0.0020 7303 MET 39 HG2 0.0033 -0.0005 0.0019 7304 MET 39 HG3 0.0036 -0.0004 0.0019 7305 MET 39 HE1 0.0039 -0.0011 0.0021 7306 MET 39 HE2 0.0037 -0.0009 0.0020 7307 MET 39 HE3 0.0040 -0.0007 0.0020 7308 VAL 40 N 0.0025 -0.0006 0.0019 7309 VAL 40 CA 0.0023 -0.0006 0.0019 7310 VAL 40 C 0.0025 -0.0008 0.0019 7311 VAL 40 O 0.0025 -0.0011 0.0020 7312 VAL 40 CB 0.0020 -0.0008 0.0019 7313 VAL 40 CG1 0.0021 -0.0011 0.0020 7314 VAL 40 CG2 0.0018 -0.0009 0.0019 7315 VAL 40 H 0.0025 -0.0007 0.0019 7316 VAL 40 HA 0.0022 -0.0004 0.0018 7317 VAL 40 HB 0.0019 -0.0006 0.0019 7318 VAL 40 HG11 0.0022 -0.0012 0.0020 7319 VAL 40 HG12 0.0022 -0.0010 0.0020 7320 VAL 40 HG13 0.0019 -0.0012 0.0020 7321 VAL 40 HG21 0.0019 -0.0011 0.0020 7322 VAL 40 HG22 0.0016 -0.0009 0.0019 7323 VAL 40 HG23 0.0018 -0.0007 0.0019 7324 TRP 41 N 0.0026 -0.0007 0.0019 7325 TRP 41 CA 0.0027 -0.0008 0.0020 7326 TRP 41 C 0.0025 -0.0010 0.0020 7327 TRP 41 O 0.0026 -0.0013 0.0020 7328 TRP 41 CB 0.0028 -0.0006 0.0019 7329 TRP 41 CG 0.0031 -0.0007 0.0019 7330 TRP 41 CD1 0.0032 -0.0006 0.0019 7331 TRP 41 CD2 0.0034 -0.0008 0.0020 7332 TRP 41 NE1 0.0035 -0.0007 0.0020 7333 TRP 41 CE2 0.0036 -0.0008 0.0020 7334 TRP 41 CE3 0.0035 -0.0009 0.0020 7335 TRP 41 CZ2 0.0039 -0.0009 0.0021 7336 TRP 41 CZ3 0.0038 -0.0010 0.0021 7337 TRP 41 CH2 0.0040 -0.0010 0.0021 7338 TRP 41 H 0.0025 -0.0005 0.0019 7339 TRP 41 HA 0.0029 -0.0009 0.0020 7340 TRP 41 HB2 0.0029 -0.0004 0.0019 7341 TRP 41 HB3 0.0027 -0.0005 0.0019 7342 TRP 41 HD1 0.0030 -0.0005 0.0019 7343 TRP 41 HE1 0.0036 -0.0007 0.0020 7344 TRP 41 HE3 0.0033 -0.0008 0.0020 7345 TRP 41 HZ2 0.0040 -0.0010 0.0021 7346 TRP 41 HZ3 0.0038 -0.0010 0.0021 7347 TRP 41 HH2 0.0042 -0.0011 0.0021 7348 HIS 42 N 0.0023 -0.0009 0.0019 7349 HIS 42 CA 0.0020 -0.0011 0.0020 7350 HIS 42 C 0.0017 -0.0010 0.0019 7351 HIS 42 O 0.0016 -0.0008 0.0019 7352 HIS 42 CB 0.0021 -0.0010 0.0020 7353 HIS 42 CG 0.0020 -0.0013 0.0020 7354 HIS 42 ND1 0.0022 -0.0015 0.0021 7355 HIS 42 CD2 0.0017 -0.0013 0.0020 7356 HIS 42 CE1 0.0020 -0.0016 0.0021 7357 HIS 42 NE2 0.0017 -0.0016 0.0021 7358 HIS 42 H 0.0022 -0.0007 0.0019 7359 HIS 42 HA 0.0021 -0.0013 0.0020 7360 HIS 42 HB2 0.0023 -0.0010 0.0020 7361 HIS 42 HB3 0.0019 -0.0008 0.0019 7362 HIS 42 HD2 0.0015 -0.0012 0.0020 7363 HIS 42 HE1 0.0021 -0.0018 0.0021 7364 HIS 42 HE2 0.0016 -0.0017 0.0021 7365 VAL 43 N 0.0010 -0.0024 0.0005 7366 VAL 43 CA 0.0002 -0.0025 0.0000 7367 VAL 43 C -0.0006 -0.0029 -0.0006 7368 VAL 43 O -0.0005 -0.0037 -0.0008 7369 VAL 43 CB 0.0006 -0.0033 0.0000 7370 VAL 43 CG1 0.0011 -0.0043 0.0000 7371 VAL 43 CG2 -0.0002 -0.0034 -0.0005 7372 VAL 43 H 0.0012 -0.0030 0.0005 7373 VAL 43 HA 0.0000 -0.0017 0.0001 7374 VAL 43 HB 0.0011 -0.0029 0.0005 7375 VAL 43 HG11 0.0017 -0.0042 0.0004 7376 VAL 43 HG12 0.0013 -0.0048 -0.0000 7377 VAL 43 HG13 0.0006 -0.0046 -0.0004 7378 VAL 43 HG21 -0.0005 -0.0026 -0.0004 7379 VAL 43 HG22 -0.0007 -0.0038 -0.0009 7380 VAL 43 HG23 0.0001 -0.0039 -0.0005 7381 GLU 44 N -0.0014 -0.0022 -0.0009 7382 GLU 44 CA -0.0023 -0.0024 -0.0015 7383 GLU 44 C -0.0027 -0.0034 -0.0020 7384 GLU 44 O -0.0028 -0.0035 -0.0021 7385 GLU 44 CB -0.0031 -0.0015 -0.0016 7386 GLU 44 CG -0.0029 -0.0005 -0.0013 7387 GLU 44 CD -0.0036 0.0005 -0.0014 7388 GLU 44 OE1 -0.0035 0.0009 -0.0012 7389 GLU 44 OE2 -0.0042 0.0009 -0.0017 7390 GLU 44 H -0.0014 -0.0016 -0.0007 7391 GLU 44 HA -0.0022 -0.0025 -0.0015 7392 GLU 44 HB2 -0.0031 -0.0013 -0.0016 7393 GLU 44 HB3 -0.0038 -0.0017 -0.0021 7394 GLU 44 HG2 -0.0030 -0.0006 -0.0014 7395 GLU 44 HG3 -0.0022 -0.0003 -0.0008 7396 ASP 45 N -0.0028 -0.0042 -0.0022 7397 ASP 45 CA -0.0031 -0.0052 -0.0027 7398 ASP 45 C -0.0042 -0.0051 -0.0033 7399 ASP 45 O -0.0046 -0.0059 -0.0038 7400 ASP 45 CB -0.0027 -0.0061 -0.0027 7401 ASP 45 CG -0.0030 -0.0059 -0.0029 7402 ASP 45 OD1 -0.0029 -0.0050 -0.0025 7403 ASP 45 OD2 -0.0034 -0.0066 -0.0033 7404 ASP 45 H -0.0027 -0.0041 -0.0021 7405 ASP 45 HA -0.0028 -0.0054 -0.0026 7406 ASP 45 HB2 -0.0029 -0.0068 -0.0031 7407 ASP 45 HB3 -0.0019 -0.0062 -0.0023 7408 GLY 46 N -0.0046 -0.0041 -0.0033 7409 GLY 46 CA -0.0056 -0.0039 -0.0039 7410 GLY 46 C -0.0060 -0.0042 -0.0042 7411 GLY 46 O -0.0068 -0.0044 -0.0047 7412 GLY 46 H -0.0042 -0.0035 -0.0029 7413 GLY 46 HA2 -0.0059 -0.0045 -0.0042 7414 GLY 46 HA3 -0.0059 -0.0031 -0.0038 7415 GLY 47 N -0.0054 -0.0041 -0.0038 7416 GLY 47 CA -0.0057 -0.0043 -0.0040 7417 GLY 47 C -0.0051 -0.0041 -0.0036 7418 GLY 47 O -0.0048 -0.0048 -0.0036 7419 GLY 47 H -0.0048 -0.0040 -0.0034 7420 GLY 47 HA2 -0.0058 -0.0052 -0.0043 7421 GLY 47 HA3 -0.0064 -0.0038 -0.0043 7422 PRO 48 N -0.0047 -0.0031 -0.0031 7423 PRO 48 CA -0.0041 -0.0028 -0.0026 7424 PRO 48 C -0.0031 -0.0036 -0.0023 7425 PRO 48 O -0.0031 -0.0045 -0.0025 7426 PRO 48 CB -0.0039 -0.0017 -0.0022 7427 PRO 48 CG -0.0048 -0.0013 -0.0026 7428 PRO 48 CD -0.0050 -0.0022 -0.0030 7429 PRO 48 HA -0.0045 -0.0027 -0.0028 7430 PRO 48 HB2 -0.0033 -0.0018 -0.0019 7431 PRO 48 HB3 -0.0038 -0.0012 -0.0020 7432 PRO 48 HG2 -0.0046 -0.0007 -0.0023 7433 PRO 48 HG3 -0.0053 -0.0010 -0.0028 7434 PRO 48 HD2 -0.0046 -0.0024 -0.0028 7435 PRO 48 HD3 -0.0058 -0.0021 -0.0034 7436 ALA 49 N -0.0023 -0.0022 -0.0019 7437 ALA 49 CA -0.0014 -0.0027 -0.0015 7438 ALA 49 C -0.0012 -0.0037 -0.0018 7439 ALA 49 O -0.0007 -0.0044 -0.0018 7440 ALA 49 CB -0.0008 -0.0021 -0.0009 7441 ALA 49 H -0.0024 -0.0016 -0.0016 7442 ALA 49 HA -0.0013 -0.0028 -0.0015 7443 ALA 49 HB1 -0.0003 -0.0019 -0.0006 7444 ALA 49 HB2 -0.0003 -0.0024 -0.0008 7445 ALA 49 HB3 -0.0011 -0.0014 -0.0009 7446 SER 50 N -0.0015 -0.0038 -0.0020 7447 SER 50 CA -0.0013 -0.0046 -0.0022 7448 SER 50 C -0.0016 -0.0055 -0.0027 7449 SER 50 O -0.0010 -0.0062 -0.0027 7450 SER 50 CB -0.0017 -0.0045 -0.0024 7451 SER 50 OG -0.0011 -0.0044 -0.0020 7452 SER 50 H -0.0019 -0.0032 -0.0020 7453 SER 50 HA -0.0006 -0.0048 -0.0019 7454 SER 50 HB2 -0.0023 -0.0039 -0.0025 7455 SER 50 HB3 -0.0020 -0.0051 -0.0029 7456 SER 50 HG -0.0006 -0.0049 -0.0020 7457 GLU 51 N -0.0024 -0.0054 -0.0032 7458 GLU 51 CA -0.0028 -0.0061 -0.0037 7459 GLU 51 C -0.0024 -0.0063 -0.0035 7460 GLU 51 O -0.0022 -0.0071 -0.0038 7461 GLU 51 CB -0.0038 -0.0059 -0.0042 7462 GLU 51 CG -0.0042 -0.0059 -0.0044 7463 GLU 51 CD -0.0044 -0.0068 -0.0049 7464 GLU 51 OE1 -0.0038 -0.0075 -0.0048 7465 GLU 51 OE2 -0.0052 -0.0070 -0.0054 7466 GLU 51 H -0.0028 -0.0048 -0.0032 7467 GLU 51 HA -0.0026 -0.0068 -0.0038 7468 GLU 51 HB2 -0.0040 -0.0052 -0.0040 7469 GLU 51 HB3 -0.0040 -0.0064 -0.0045 7470 GLU 51 HG2 -0.0038 -0.0056 -0.0041 7471 GLU 51 HG3 -0.0049 -0.0054 -0.0046 7472 ALA 52 N -0.0022 -0.0056 -0.0031 7473 ALA 52 CA -0.0018 -0.0057 -0.0029 7474 ALA 52 C -0.0009 -0.0063 -0.0027 7475 ALA 52 O -0.0006 -0.0068 -0.0027 7476 ALA 52 CB -0.0017 -0.0047 -0.0025 7477 ALA 52 H -0.0023 -0.0050 -0.0030 7478 ALA 52 HA -0.0022 -0.0059 -0.0033 7479 ALA 52 HB1 -0.0013 -0.0047 -0.0023 7480 ALA 52 HB2 -0.0014 -0.0043 -0.0022 7481 ALA 52 HB3 -0.0023 -0.0043 -0.0027 7482 GLY 53 N -0.0004 -0.0064 -0.0025 7483 GLY 53 CA 0.0004 -0.0070 -0.0022 7484 GLY 53 C 0.0011 -0.0066 -0.0017 7485 GLY 53 O 0.0018 -0.0070 -0.0014 7486 GLY 53 H -0.0007 -0.0060 -0.0025 7487 GLY 53 HA2 0.0003 -0.0076 -0.0025 7488 GLY 53 HA3 0.0006 -0.0072 -0.0022 7489 LEU 54 N 0.0009 -0.0056 -0.0014 7490 LEU 54 CA 0.0015 -0.0051 -0.0008 7491 LEU 54 C 0.0016 -0.0054 -0.0009 7492 LEU 54 O 0.0010 -0.0053 -0.0012 7493 LEU 54 CB 0.0012 -0.0041 -0.0006 7494 LEU 54 CG 0.0020 -0.0035 0.0001 7495 LEU 54 CD1 0.0016 -0.0024 0.0003 7496 LEU 54 CD2 0.0026 -0.0038 0.0003 7497 LEU 54 H 0.0003 -0.0053 -0.0016 7498 LEU 54 HA 0.0021 -0.0053 -0.0006 7499 LEU 54 HB2 0.0008 -0.0039 -0.0007 7500 LEU 54 HB3 0.0008 -0.0038 -0.0007 7501 LEU 54 HG 0.0023 -0.0037 0.0002 7502 LEU 54 HD11 0.0012 -0.0023 0.0001 7503 LEU 54 HD12 0.0022 -0.0021 0.0008 7504 LEU 54 HD13 0.0012 -0.0023 0.0001 7505 LEU 54 HD21 0.0023 -0.0036 0.0002 7506 LEU 54 HD22 0.0031 -0.0034 0.0008 7507 LEU 54 HD23 0.0029 -0.0045 0.0002 7508 ARG 55 N 0.0018 -0.0027 0.0018 7509 ARG 55 CA 0.0018 -0.0029 0.0017 7510 ARG 55 C 0.0019 -0.0028 0.0017 7511 ARG 55 O 0.0020 -0.0027 0.0017 7512 ARG 55 CB 0.0019 -0.0030 0.0017 7513 ARG 55 CG 0.0021 -0.0029 0.0017 7514 ARG 55 CD 0.0022 -0.0029 0.0016 7515 ARG 55 NE 0.0023 -0.0031 0.0016 7516 ARG 55 CZ 0.0023 -0.0032 0.0015 7517 ARG 55 NH1 0.0023 -0.0032 0.0015 7518 ARG 55 NH2 0.0024 -0.0034 0.0015 7519 ARG 55 H 0.0018 -0.0027 0.0018 7520 ARG 55 HA 0.0017 -0.0030 0.0018 7521 ARG 55 HB2 0.0020 -0.0031 0.0017 7522 ARG 55 HB3 0.0019 -0.0030 0.0017 7523 ARG 55 HG2 0.0021 -0.0029 0.0017 7524 ARG 55 HG3 0.0021 -0.0027 0.0017 7525 ARG 55 HD2 0.0023 -0.0028 0.0016 7526 ARG 55 HD3 0.0022 -0.0029 0.0016 7527 ARG 55 HE 0.0023 -0.0031 0.0016 7528 ARG 55 HH11 0.0023 -0.0031 0.0016 7529 ARG 55 HH12 0.0024 -0.0033 0.0015 7530 ARG 55 HH21 0.0024 -0.0034 0.0015 7531 ARG 55 HH22 0.0024 -0.0035 0.0015 7532 GLN 56 N 0.0019 -0.0029 0.0017 7533 GLN 56 CA 0.0020 -0.0029 0.0017 7534 GLN 56 C 0.0022 -0.0029 0.0016 7535 GLN 56 O 0.0022 -0.0030 0.0016 7536 GLN 56 CB 0.0019 -0.0030 0.0017 7537 GLN 56 CG 0.0020 -0.0029 0.0017 7538 GLN 56 CD 0.0019 -0.0030 0.0017 7539 GLN 56 OE1 0.0017 -0.0031 0.0017 7540 GLN 56 NE2 0.0020 -0.0031 0.0017 7541 GLN 56 H 0.0018 -0.0030 0.0017 7542 GLN 56 HA 0.0020 -0.0027 0.0017 7543 GLN 56 HB2 0.0018 -0.0030 0.0017 7544 GLN 56 HB3 0.0020 -0.0031 0.0017 7545 GLN 56 HG2 0.0021 -0.0030 0.0016 7546 GLN 56 HG3 0.0020 -0.0028 0.0017 7547 GLN 56 HE21 0.0021 -0.0030 0.0016 7548 GLN 56 HE22 0.0019 -0.0031 0.0017 7549 GLY 57 N 0.0023 -0.0028 0.0016 7550 GLY 57 CA 0.0024 -0.0028 0.0016 7551 GLY 57 C 0.0025 -0.0027 0.0016 7552 GLY 57 O 0.0027 -0.0027 0.0015 7553 GLY 57 H 0.0022 -0.0027 0.0017 7554 GLY 57 HA2 0.0025 -0.0027 0.0016 7555 GLY 57 HA3 0.0025 -0.0029 0.0015 7556 ASP 58 N 0.0024 -0.0026 0.0016 7557 ASP 58 CA 0.0025 -0.0025 0.0016 7558 ASP 58 C 0.0025 -0.0023 0.0016 7559 ASP 58 O 0.0025 -0.0022 0.0017 7560 ASP 58 CB 0.0023 -0.0025 0.0017 7561 ASP 58 CG 0.0024 -0.0025 0.0017 7562 ASP 58 OD1 0.0025 -0.0024 0.0016 7563 ASP 58 OD2 0.0023 -0.0025 0.0017 7564 ASP 58 H 0.0023 -0.0026 0.0017 7565 ASP 58 HA 0.0026 -0.0025 0.0016 7566 ASP 58 HB2 0.0022 -0.0026 0.0017 7567 ASP 58 HB3 0.0023 -0.0023 0.0017 7568 LEU 59 N 0.0026 -0.0022 0.0016 7569 LEU 59 CA 0.0027 -0.0021 0.0016 7570 LEU 59 C 0.0026 -0.0019 0.0017 7571 LEU 59 O 0.0026 -0.0019 0.0017 7572 LEU 59 CB 0.0029 -0.0021 0.0016 7573 LEU 59 CG 0.0030 -0.0019 0.0016 7574 LEU 59 CD1 0.0030 -0.0018 0.0016 7575 LEU 59 CD2 0.0031 -0.0019 0.0015 7576 LEU 59 H 0.0027 -0.0023 0.0016 7577 LEU 59 HA 0.0027 -0.0020 0.0016 7578 LEU 59 HB2 0.0030 -0.0021 0.0015 7579 LEU 59 HB3 0.0029 -0.0021 0.0015 7580 LEU 59 HG 0.0029 -0.0018 0.0016 7581 LEU 59 HD11 0.0029 -0.0018 0.0016 7582 LEU 59 HD12 0.0031 -0.0017 0.0016 7583 LEU 59 HD13 0.0031 -0.0019 0.0015 7584 LEU 59 HD21 0.0032 -0.0018 0.0015 7585 LEU 59 HD22 0.0031 -0.0019 0.0015 7586 LEU 59 HD23 0.0032 -0.0020 0.0015 7587 ILE 60 N 0.0026 -0.0018 0.0017 7588 ILE 60 CA 0.0025 -0.0017 0.0017 7589 ILE 60 C 0.0026 -0.0015 0.0017 7590 ILE 60 O 0.0027 -0.0015 0.0017 7591 ILE 60 CB 0.0024 -0.0016 0.0018 7592 ILE 60 CG1 0.0022 -0.0017 0.0018 7593 ILE 60 CG2 0.0023 -0.0014 0.0018 7594 ILE 60 CD1 0.0023 -0.0018 0.0018 7595 ILE 60 H 0.0026 -0.0018 0.0017 7596 ILE 60 HA 0.0024 -0.0017 0.0017 7597 ILE 60 HB 0.0024 -0.0015 0.0018 7598 ILE 60 HG12 0.0021 -0.0016 0.0018 7599 ILE 60 HG13 0.0022 -0.0018 0.0018 7600 ILE 60 HG21 0.0022 -0.0014 0.0019 7601 ILE 60 HG22 0.0022 -0.0015 0.0018 7602 ILE 60 HG23 0.0024 -0.0013 0.0018 7603 ILE 60 HD11 0.0023 -0.0018 0.0018 7604 ILE 60 HD12 0.0024 -0.0019 0.0017 7605 ILE 60 HD13 0.0022 -0.0019 0.0018 7606 THR 61 N 0.0038 -0.0019 0.0027 7607 THR 61 CA 0.0041 -0.0020 0.0030 7608 THR 61 C 0.0040 -0.0017 0.0029 7609 THR 61 O 0.0042 -0.0014 0.0032 7610 THR 61 CB 0.0044 -0.0026 0.0030 7611 THR 61 OG1 0.0041 -0.0028 0.0026 7612 THR 61 CG2 0.0045 -0.0028 0.0030 7613 THR 61 H 0.0036 -0.0021 0.0025 7614 THR 61 HA 0.0044 -0.0017 0.0033 7615 THR 61 HB 0.0046 -0.0026 0.0032 7616 THR 61 HG1 0.0041 -0.0028 0.0026 7617 THR 61 HG21 0.0043 -0.0028 0.0028 7618 THR 61 HG22 0.0047 -0.0026 0.0033 7619 THR 61 HG23 0.0047 -0.0032 0.0031 7620 HIS 62 N 0.0036 -0.0018 0.0026 7621 HIS 62 CA 0.0034 -0.0016 0.0024 7622 HIS 62 C 0.0029 -0.0013 0.0021 7623 HIS 62 O 0.0027 -0.0015 0.0019 7624 HIS 62 CB 0.0035 -0.0020 0.0023 7625 HIS 62 CG 0.0039 -0.0022 0.0027 7626 HIS 62 ND1 0.0042 -0.0027 0.0028 7627 HIS 62 CD2 0.0041 -0.0021 0.0030 7628 HIS 62 CE1 0.0045 -0.0028 0.0031 7629 HIS 62 NE2 0.0045 -0.0024 0.0032 7630 HIS 62 H 0.0035 -0.0020 0.0024 7631 HIS 62 HA 0.0035 -0.0012 0.0027 7632 HIS 62 HB2 0.0033 -0.0023 0.0021 7633 HIS 62 HB3 0.0033 -0.0019 0.0022 7634 HIS 62 HD2 0.0040 -0.0018 0.0030 7635 HIS 62 HE1 0.0048 -0.0031 0.0032 7636 HIS 62 HE2 0.0047 -0.0024 0.0034 7637 VAL 63 N 0.0027 -0.0010 0.0020 7638 VAL 63 CA 0.0023 -0.0008 0.0017 7639 VAL 63 C 0.0021 -0.0007 0.0015 7640 VAL 63 O 0.0022 -0.0004 0.0017 7641 VAL 63 CB 0.0022 -0.0002 0.0018 7642 VAL 63 CG1 0.0024 0.0002 0.0021 7643 VAL 63 CG2 0.0017 0.0000 0.0014 7644 VAL 63 H 0.0029 -0.0009 0.0022 7645 VAL 63 HA 0.0021 -0.0010 0.0015 7646 VAL 63 HB 0.0023 -0.0003 0.0019 7647 VAL 63 HG11 0.0027 0.0000 0.0024 7648 VAL 63 HG12 0.0023 0.0006 0.0022 7649 VAL 63 HG13 0.0023 0.0002 0.0021 7650 VAL 63 HG21 0.0016 0.0004 0.0015 7651 VAL 63 HG22 0.0016 -0.0002 0.0012 7652 VAL 63 HG23 0.0016 -0.0000 0.0013 7653 ASN 64 N 0.0018 -0.0011 0.0012 7654 ASN 64 CA 0.0016 -0.0011 0.0010 7655 ASN 64 C 0.0020 -0.0012 0.0012 7656 ASN 64 O 0.0019 -0.0011 0.0012 7657 ASN 64 CB 0.0013 -0.0005 0.0009 7658 ASN 64 CG 0.0009 -0.0006 0.0005 7659 ASN 64 OD1 0.0008 -0.0010 0.0002 7660 ASN 64 ND2 0.0007 -0.0002 0.0004 7661 ASN 64 H 0.0018 -0.0013 0.0010 7662 ASN 64 HA 0.0015 -0.0014 0.0007 7663 ASN 64 HB2 0.0013 -0.0003 0.0009 7664 ASN 64 HB3 0.0015 -0.0003 0.0011 7665 ASN 64 HD21 0.0008 0.0001 0.0006 7666 ASN 64 HD22 0.0004 -0.0002 0.0001 7667 GLY 65 N 0.0023 -0.0015 0.0014 7668 GLY 65 CA 0.0027 -0.0017 0.0017 7669 GLY 65 C 0.0029 -0.0013 0.0021 7670 GLY 65 O 0.0030 -0.0011 0.0022 7671 GLY 65 H 0.0024 -0.0017 0.0015 7672 GLY 65 HA2 0.0029 -0.0021 0.0018 7673 GLY 65 HA3 0.0025 -0.0018 0.0015 7674 GLU 66 N 0.0030 -0.0010 0.0023 7675 GLU 66 CA 0.0032 -0.0006 0.0026 7676 GLU 66 C 0.0034 -0.0006 0.0029 7677 GLU 66 O 0.0032 -0.0005 0.0027 7678 GLU 66 CB 0.0029 -0.0000 0.0025 7679 GLU 66 CG 0.0030 0.0003 0.0028 7680 GLU 66 CD 0.0032 0.0001 0.0029 7681 GLU 66 OE1 0.0036 -0.0001 0.0031 7682 GLU 66 OE2 0.0029 0.0002 0.0026 7683 GLU 66 H 0.0029 -0.0011 0.0021 7684 GLU 66 HA 0.0034 -0.0007 0.0028 7685 GLU 66 HB2 0.0026 -0.0001 0.0022 7686 GLU 66 HB3 0.0028 0.0001 0.0025 7687 GLU 66 HG2 0.0028 0.0007 0.0027 7688 GLU 66 HG3 0.0033 0.0005 0.0031 7689 PRO 67 N 0.0040 0.0005 0.0023 7690 PRO 67 CA 0.0042 0.0004 0.0023 7691 PRO 67 C 0.0042 0.0006 0.0023 7692 PRO 67 O 0.0041 0.0008 0.0024 7693 PRO 67 CB 0.0046 0.0005 0.0024 7694 PRO 67 CG 0.0045 0.0007 0.0024 7695 PRO 67 CD 0.0042 0.0006 0.0024 7696 PRO 67 HA 0.0042 0.0002 0.0022 7697 PRO 67 HB2 0.0047 0.0006 0.0024 7698 PRO 67 HB3 0.0047 0.0003 0.0023 7699 PRO 67 HG2 0.0045 0.0009 0.0025 7700 PRO 67 HG3 0.0047 0.0006 0.0024 7701 PRO 67 HD2 0.0041 0.0008 0.0024 7702 PRO 67 HD3 0.0042 0.0004 0.0023 7703 VAL 68 N 0.0041 0.0004 0.0023 7704 VAL 68 CA 0.0040 0.0005 0.0023 7705 VAL 68 C 0.0043 0.0006 0.0024 7706 VAL 68 O 0.0043 0.0007 0.0024 7707 VAL 68 CB 0.0039 0.0003 0.0022 7708 VAL 68 CG1 0.0036 0.0002 0.0021 7709 VAL 68 CG2 0.0041 -0.0000 0.0021 7710 VAL 68 H 0.0042 0.0002 0.0022 7711 VAL 68 HA 0.0039 0.0007 0.0023 7712 VAL 68 HB 0.0038 0.0004 0.0022 7713 VAL 68 HG11 0.0036 0.0001 0.0021 7714 VAL 68 HG12 0.0034 0.0004 0.0022 7715 VAL 68 HG13 0.0035 0.0000 0.0020 7716 VAL 68 HG21 0.0043 0.0000 0.0022 7717 VAL 68 HG22 0.0041 -0.0001 0.0021 7718 VAL 68 HG23 0.0040 -0.0002 0.0020 7719 HIS 69 N 0.0046 0.0005 0.0024 7720 HIS 69 CA 0.0049 0.0005 0.0025 7721 HIS 69 C 0.0049 0.0008 0.0026 7722 HIS 69 O 0.0050 0.0010 0.0027 7723 HIS 69 CB 0.0051 0.0004 0.0024 7724 HIS 69 CG 0.0051 0.0001 0.0023 7725 HIS 69 ND1 0.0054 -0.0001 0.0023 7726 HIS 69 CD2 0.0049 -0.0001 0.0022 7727 HIS 69 CE1 0.0054 -0.0004 0.0022 7728 HIS 69 NE2 0.0051 -0.0004 0.0021 7729 HIS 69 H 0.0046 0.0004 0.0023 7730 HIS 69 HA 0.0049 0.0004 0.0024 7731 HIS 69 HB2 0.0050 0.0005 0.0025 7732 HIS 69 HB3 0.0053 0.0005 0.0025 7733 HIS 69 HD2 0.0047 -0.0001 0.0022 7734 HIS 69 HE1 0.0055 -0.0005 0.0022 7735 HIS 69 HE2 0.0050 -0.0006 0.0021 7736 GLY 70 N 0.0049 0.0009 0.0026 7737 GLY 70 CA 0.0049 0.0012 0.0027 7738 GLY 70 C 0.0046 0.0014 0.0027 7739 GLY 70 O 0.0046 0.0016 0.0028 7740 GLY 70 H 0.0048 0.0008 0.0025 7741 GLY 70 HA2 0.0051 0.0012 0.0028 7742 GLY 70 HA3 0.0050 0.0014 0.0028 7743 LEU 71 N 0.0044 0.0013 0.0026 7744 LEU 71 CA 0.0041 0.0014 0.0026 7745 LEU 71 C 0.0040 0.0014 0.0026 7746 LEU 71 O 0.0041 0.0011 0.0026 7747 LEU 71 CB 0.0038 0.0012 0.0025 7748 LEU 71 CG 0.0038 0.0013 0.0026 7749 LEU 71 CD1 0.0035 0.0012 0.0025 7750 LEU 71 CD2 0.0038 0.0016 0.0027 7751 LEU 71 H 0.0044 0.0011 0.0026 7752 LEU 71 HA 0.0041 0.0016 0.0027 7753 LEU 71 HB2 0.0038 0.0010 0.0025 7754 LEU 71 HB3 0.0036 0.0013 0.0025 7755 LEU 71 HG 0.0040 0.0012 0.0025 7756 LEU 71 HD11 0.0035 0.0012 0.0025 7757 LEU 71 HD12 0.0033 0.0013 0.0025 7758 LEU 71 HD13 0.0035 0.0009 0.0024 7759 LEU 71 HD21 0.0040 0.0017 0.0027 7760 LEU 71 HD22 0.0036 0.0017 0.0027 7761 LEU 71 HD23 0.0038 0.0016 0.0027 7762 VAL 72 N 0.0039 0.0016 0.0027 7763 VAL 72 CA 0.0038 0.0016 0.0027 7764 VAL 72 C 0.0035 0.0014 0.0026 7765 VAL 72 O 0.0034 0.0014 0.0025 7766 VAL 72 CB 0.0038 0.0019 0.0028 7767 VAL 72 CG1 0.0035 0.0020 0.0028 7768 VAL 72 CG2 0.0039 0.0019 0.0028 7769 VAL 72 H 0.0038 0.0018 0.0027 7770 VAL 72 HA 0.0040 0.0015 0.0027 7771 VAL 72 HB 0.0039 0.0021 0.0029 7772 VAL 72 HG11 0.0033 0.0019 0.0027 7773 VAL 72 HG12 0.0034 0.0020 0.0027 7774 VAL 72 HG13 0.0034 0.0023 0.0029 7775 VAL 72 HG21 0.0041 0.0018 0.0028 7776 VAL 72 HG22 0.0037 0.0018 0.0028 7777 VAL 72 HG23 0.0039 0.0022 0.0029 7778 HIS 73 N 0.0038 0.0025 0.0018 7779 HIS 73 CA 0.0034 0.0022 0.0017 7780 HIS 73 C 0.0028 0.0023 0.0017 7781 HIS 73 O 0.0025 0.0020 0.0016 7782 HIS 73 CB 0.0034 0.0021 0.0017 7783 HIS 73 CG 0.0031 0.0017 0.0016 7784 HIS 73 ND1 0.0033 0.0012 0.0015 7785 HIS 73 CD2 0.0026 0.0018 0.0015 7786 HIS 73 CE1 0.0029 0.0010 0.0014 7787 HIS 73 NE2 0.0025 0.0013 0.0014 7788 HIS 73 H 0.0041 0.0026 0.0018 7789 HIS 73 HA 0.0035 0.0018 0.0016 7790 HIS 73 HB2 0.0038 0.0021 0.0017 7791 HIS 73 HB3 0.0033 0.0025 0.0017 7792 HIS 73 HD1 0.0036 0.0011 0.0015 7793 HIS 73 HD2 0.0024 0.0021 0.0016 7794 HIS 73 HE1 0.0029 0.0006 0.0013 7795 THR 74 N 0.0028 0.0028 0.0018 7796 THR 74 CA 0.0022 0.0031 0.0018 7797 THR 74 C 0.0021 0.0032 0.0018 7798 THR 74 O 0.0017 0.0032 0.0018 7799 THR 74 CB 0.0022 0.0036 0.0019 7800 THR 74 OG1 0.0025 0.0040 0.0020 7801 THR 74 CG2 0.0024 0.0035 0.0019 7802 THR 74 H 0.0030 0.0031 0.0018 7803 THR 74 HA 0.0019 0.0028 0.0017 7804 THR 74 HB 0.0018 0.0037 0.0019 7805 THR 74 HG1 0.0024 0.0043 0.0020 7806 THR 74 HG21 0.0021 0.0033 0.0018 7807 THR 74 HG22 0.0025 0.0038 0.0020 7808 THR 74 HG23 0.0027 0.0032 0.0018 7809 GLU 75 N 0.0026 0.0032 0.0018 7810 GLU 75 CA 0.0025 0.0033 0.0018 7811 GLU 75 C 0.0023 0.0028 0.0017 7812 GLU 75 O 0.0020 0.0029 0.0017 7813 GLU 75 CB 0.0031 0.0034 0.0019 7814 GLU 75 CG 0.0032 0.0040 0.0020 7815 GLU 75 CD 0.0037 0.0042 0.0021 7816 GLU 75 OE1 0.0041 0.0040 0.0021 7817 GLU 75 OE2 0.0037 0.0044 0.0021 7818 GLU 75 H 0.0029 0.0032 0.0018 7819 GLU 75 HA 0.0023 0.0036 0.0019 7820 GLU 75 HB2 0.0034 0.0032 0.0019 7821 GLU 75 HB3 0.0031 0.0033 0.0019 7822 GLU 75 HG2 0.0029 0.0042 0.0021 7823 GLU 75 HG3 0.0032 0.0041 0.0021 7824 VAL 76 N 0.0024 0.0024 0.0017 7825 VAL 76 CA 0.0022 0.0019 0.0016 7826 VAL 76 C 0.0016 0.0019 0.0015 7827 VAL 76 O 0.0013 0.0018 0.0015 7828 VAL 76 CB 0.0025 0.0014 0.0015 7829 VAL 76 CG1 0.0031 0.0014 0.0015 7830 VAL 76 CG2 0.0026 0.0014 0.0015 7831 VAL 76 H 0.0027 0.0023 0.0017 7832 VAL 76 HA 0.0023 0.0020 0.0016 7833 VAL 76 HB 0.0023 0.0011 0.0014 7834 VAL 76 HG11 0.0033 0.0017 0.0016 7835 VAL 76 HG12 0.0030 0.0014 0.0015 7836 VAL 76 HG13 0.0032 0.0010 0.0014 7837 VAL 76 HG21 0.0025 0.0017 0.0015 7838 VAL 76 HG22 0.0030 0.0012 0.0015 7839 VAL 76 HG23 0.0023 0.0011 0.0014 7840 VAL 77 N 0.0015 0.0020 0.0015 7841 VAL 77 CA 0.0010 0.0020 0.0015 7842 VAL 77 C 0.0006 0.0023 0.0015 7843 VAL 77 O 0.0002 0.0022 0.0015 7844 VAL 77 CB 0.0010 0.0021 0.0015 7845 VAL 77 CG1 0.0004 0.0021 0.0015 7846 VAL 77 CG2 0.0013 0.0017 0.0015 7847 VAL 77 H 0.0018 0.0020 0.0015 7848 VAL 77 HA 0.0008 0.0016 0.0014 7849 VAL 77 HB 0.0011 0.0025 0.0016 7850 VAL 77 HG11 0.0001 0.0023 0.0015 7851 VAL 77 HG12 0.0004 0.0023 0.0015 7852 VAL 77 HG13 0.0003 0.0017 0.0014 7853 VAL 77 HG21 0.0015 0.0019 0.0015 7854 VAL 77 HG22 0.0016 0.0015 0.0014 7855 VAL 77 HG23 0.0010 0.0014 0.0014 7856 GLU 78 N 0.0009 0.0028 0.0016 7857 GLU 78 CA 0.0006 0.0032 0.0017 7858 GLU 78 C 0.0005 0.0031 0.0017 7859 GLU 78 O 0.0001 0.0032 0.0017 7860 GLU 78 CB 0.0009 0.0037 0.0018 7861 GLU 78 CG 0.0007 0.0040 0.0019 7862 GLU 78 CD 0.0008 0.0046 0.0020 7863 GLU 78 OE1 0.0009 0.0048 0.0020 7864 GLU 78 OE2 0.0008 0.0049 0.0021 7865 GLU 78 H 0.0012 0.0029 0.0017 7866 GLU 78 HA 0.0002 0.0033 0.0017 7867 GLU 78 HB2 0.0013 0.0037 0.0018 7868 GLU 78 HB3 0.0008 0.0040 0.0019 7869 GLU 78 HG2 0.0003 0.0040 0.0018 7870 GLU 78 HG3 0.0010 0.0039 0.0019 7871 LEU 79 N 0.0009 0.0035 0.0021 7872 LEU 79 CA 0.0009 0.0031 0.0020 7873 LEU 79 C 0.0004 0.0026 0.0016 7874 LEU 79 O 0.0001 0.0025 0.0015 7875 LEU 79 CB 0.0016 0.0026 0.0022 7876 LEU 79 CG 0.0021 0.0027 0.0023 7877 LEU 79 CD1 0.0017 0.0025 0.0021 7878 LEU 79 CD2 0.0023 0.0034 0.0027 7879 LEU 79 H 0.0012 0.0036 0.0023 7880 LEU 79 HA 0.0009 0.0034 0.0021 7881 LEU 79 HB2 0.0019 0.0028 0.0023 7882 LEU 79 HB3 0.0016 0.0021 0.0020 7883 LEU 79 HG 0.0025 0.0023 0.0024 7884 LEU 79 HD11 0.0020 0.0025 0.0023 7885 LEU 79 HD12 0.0012 0.0029 0.0021 7886 LEU 79 HD13 0.0015 0.0020 0.0019 7887 LEU 79 HD21 0.0027 0.0034 0.0028 7888 LEU 79 HD22 0.0026 0.0035 0.0028 7889 LEU 79 HD23 0.0019 0.0038 0.0026 7890 ILE 80 N 0.0002 0.0023 0.0015 7891 ILE 80 CA -0.0003 0.0019 0.0011 7892 ILE 80 C -0.0010 0.0023 0.0010 7893 ILE 80 O -0.0014 0.0021 0.0008 7894 ILE 80 CB -0.0003 0.0015 0.0010 7895 ILE 80 CG1 0.0003 0.0009 0.0011 7896 ILE 80 CG2 -0.0010 0.0012 0.0007 7897 ILE 80 CD1 0.0006 0.0008 0.0012 7898 ILE 80 H 0.0005 0.0024 0.0016 7899 ILE 80 HA -0.0002 0.0015 0.0010 7900 ILE 80 HB -0.0002 0.0019 0.0012 7901 ILE 80 HG12 0.0001 0.0004 0.0009 7902 ILE 80 HG13 0.0007 0.0011 0.0013 7903 ILE 80 HG21 -0.0013 0.0017 0.0007 7904 ILE 80 HG22 -0.0009 0.0008 0.0006 7905 ILE 80 HG23 -0.0012 0.0010 0.0005 7906 ILE 80 HD11 0.0010 0.0004 0.0012 7907 ILE 80 HD12 0.0002 0.0006 0.0009 7908 ILE 80 HD13 0.0007 0.0013 0.0014 7909 LEU 81 N -0.0012 0.0029 0.0011 7910 LEU 81 CA -0.0018 0.0033 0.0010 7911 LEU 81 C -0.0019 0.0036 0.0010 7912 LEU 81 O -0.0025 0.0037 0.0008 7913 LEU 81 CB -0.0019 0.0039 0.0012 7914 LEU 81 CG -0.0018 0.0037 0.0011 7915 LEU 81 CD1 -0.0018 0.0043 0.0013 7916 LEU 81 CD2 -0.0024 0.0033 0.0007 7917 LEU 81 H -0.0008 0.0030 0.0013 7918 LEU 81 HA -0.0022 0.0030 0.0007 7919 LEU 81 HB2 -0.0014 0.0042 0.0014 7920 LEU 81 HB3 -0.0023 0.0042 0.0011 7921 LEU 81 HG -0.0014 0.0034 0.0012 7922 LEU 81 HD11 -0.0014 0.0046 0.0016 7923 LEU 81 HD12 -0.0018 0.0042 0.0013 7924 LEU 81 HD13 -0.0023 0.0047 0.0012 7925 LEU 81 HD21 -0.0024 0.0028 0.0006 7926 LEU 81 HD22 -0.0029 0.0036 0.0006 7927 LEU 81 HD23 -0.0025 0.0032 0.0007 7928 LYS 82 N -0.0014 0.0037 0.0013 7929 LYS 82 CA -0.0014 0.0040 0.0014 7930 LYS 82 C -0.0016 0.0035 0.0011 7931 LYS 82 O -0.0020 0.0037 0.0010 7932 LYS 82 CB -0.0006 0.0041 0.0017 7933 LYS 82 CG -0.0006 0.0046 0.0019 7934 LYS 82 CD 0.0001 0.0044 0.0021 7935 LYS 82 CE 0.0007 0.0046 0.0024 7936 LYS 82 NZ 0.0009 0.0053 0.0027 7937 LYS 82 H -0.0009 0.0036 0.0014 7938 LYS 82 HA -0.0017 0.0045 0.0014 7939 LYS 82 HB2 -0.0004 0.0043 0.0019 7940 LYS 82 HB3 -0.0004 0.0036 0.0016 7941 LYS 82 HG2 -0.0010 0.0045 0.0017 7942 LYS 82 HG3 -0.0006 0.0051 0.0020 7943 LYS 82 HD2 0.0002 0.0038 0.0019 7944 LYS 82 HD3 0.0001 0.0047 0.0022 7945 LYS 82 HE2 0.0006 0.0045 0.0023 7946 LYS 82 HE3 0.0012 0.0042 0.0025 7947 LYS 82 HZ1 0.0005 0.0057 0.0026 7948 LYS 82 HZ2 0.0009 0.0054 0.0027 7949 LYS 82 HZ3 0.0013 0.0054 0.0029 7950 SER 83 N -0.0014 0.0028 0.0010 7951 SER 83 CA -0.0017 0.0022 0.0007 7952 SER 83 C -0.0025 0.0023 0.0004 7953 SER 83 O -0.0027 0.0023 0.0003 7954 SER 83 CB -0.0014 0.0015 0.0006 7955 SER 83 OG -0.0016 0.0010 0.0004 7956 SER 83 H -0.0011 0.0027 0.0011 7957 SER 83 HA -0.0015 0.0023 0.0008 7958 SER 83 HB2 -0.0008 0.0015 0.0008 7959 SER 83 HB3 -0.0016 0.0015 0.0005 7960 SER 83 HG -0.0019 0.0007 0.0002 7961 GLY 84 N -0.0028 0.0023 0.0003 7962 GLY 84 CA -0.0035 0.0024 0.0000 7963 GLY 84 C -0.0039 0.0019 -0.0002 7964 GLY 84 O -0.0036 0.0019 -0.0002 7965 GLY 84 H -0.0026 0.0023 0.0004 7966 GLY 84 HA2 -0.0037 0.0029 0.0001 7967 GLY 84 HA3 -0.0037 0.0023 -0.0001 7968 ASN 85 N -0.0044 0.0021 -0.0011 7969 ASN 85 CA -0.0049 0.0017 -0.0015 7970 ASN 85 C -0.0043 0.0010 -0.0016 7971 ASN 85 O -0.0046 0.0005 -0.0020 7972 ASN 85 CB -0.0055 0.0015 -0.0021 7973 ASN 85 CG -0.0053 0.0009 -0.0022 7974 ASN 85 OD1 -0.0051 0.0002 -0.0025 7975 ASN 85 ND2 -0.0052 0.0013 -0.0020 7976 ASN 85 H -0.0045 0.0021 -0.0011 7977 ASN 85 HA -0.0051 0.0021 -0.0015 7978 ASN 85 HB2 -0.0058 0.0012 -0.0024 7979 ASN 85 HB3 -0.0059 0.0021 -0.0020 7980 ASN 85 HD21 -0.0054 0.0019 -0.0018 7981 ASN 85 HD22 -0.0051 0.0010 -0.0020 7982 LYS 86 N -0.0036 0.0008 -0.0013 7983 LYS 86 CA -0.0031 0.0001 -0.0013 7984 LYS 86 C -0.0022 0.0002 -0.0007 7985 LYS 86 O -0.0021 0.0008 -0.0004 7986 LYS 86 CB -0.0032 -0.0007 -0.0017 7987 LYS 86 CG -0.0032 -0.0006 -0.0017 7988 LYS 86 CD -0.0031 -0.0014 -0.0020 7989 LYS 86 CE -0.0031 -0.0013 -0.0020 7990 LYS 86 NZ -0.0024 -0.0010 -0.0014 7991 LYS 86 H -0.0034 0.0011 -0.0010 7992 LYS 86 HA -0.0032 0.0000 -0.0014 7993 LYS 86 HB2 -0.0027 -0.0012 -0.0017 7994 LYS 86 HB3 -0.0037 -0.0008 -0.0021 7995 LYS 86 HG2 -0.0037 -0.0002 -0.0018 7996 LYS 86 HG3 -0.0027 -0.0003 -0.0013 7997 LYS 86 HD2 -0.0025 -0.0018 -0.0019 7998 LYS 86 HD3 -0.0036 -0.0017 -0.0025 7999 LYS 86 HE2 -0.0030 -0.0019 -0.0022 8000 LYS 86 HE3 -0.0036 -0.0009 -0.0021 8001 LYS 86 HZ1 -0.0025 -0.0004 -0.0012 8002 LYS 86 HZ2 -0.0024 -0.0010 -0.0014 8003 LYS 86 HZ3 -0.0019 -0.0013 -0.0012 8004 VAL 87 N -0.0017 -0.0004 -0.0007 8005 VAL 87 CA -0.0009 -0.0004 -0.0002 8006 VAL 87 C -0.0003 -0.0012 -0.0003 8007 VAL 87 O -0.0005 -0.0017 -0.0006 8008 VAL 87 CB -0.0007 0.0003 0.0002 8009 VAL 87 CG1 -0.0008 0.0001 0.0001 8010 VAL 87 CG2 0.0001 0.0004 0.0008 8011 VAL 87 H -0.0018 -0.0009 -0.0010 8012 VAL 87 HA -0.0008 -0.0003 -0.0001 8013 VAL 87 HB -0.0011 0.0008 0.0003 8014 VAL 87 HG11 -0.0004 -0.0005 -0.0000 8015 VAL 87 HG12 -0.0014 0.0001 -0.0003 8016 VAL 87 HG13 -0.0006 0.0005 0.0004 8017 VAL 87 HG21 0.0001 0.0007 0.0009 8018 VAL 87 HG22 0.0005 -0.0002 0.0008 8019 VAL 87 HG23 0.0003 0.0008 0.0011 8020 ALA 88 N 0.0003 -0.0014 0.0000 8021 ALA 88 CA 0.0009 -0.0022 0.0000 8022 ALA 88 C 0.0015 -0.0020 0.0004 8023 ALA 88 O 0.0021 -0.0018 0.0009 8024 ALA 88 CB 0.0013 -0.0024 0.0001 8025 ALA 88 H 0.0005 -0.0010 0.0003 8026 ALA 88 HA 0.0007 -0.0026 -0.0004 8027 ALA 88 HB1 0.0009 -0.0026 -0.0002 8028 ALA 88 HB2 0.0018 -0.0030 0.0001 8029 ALA 88 HB3 0.0016 -0.0020 0.0005 8030 ILE 89 N 0.0014 -0.0023 0.0003 8031 ILE 89 CA 0.0020 -0.0022 0.0006 8032 ILE 89 C 0.0026 -0.0030 0.0006 8033 ILE 89 O 0.0025 -0.0036 0.0002 8034 ILE 89 CB 0.0016 -0.0020 0.0005 8035 ILE 89 CG1 0.0022 -0.0020 0.0008 8036 ILE 89 CG2 0.0011 -0.0026 -0.0001 8037 ILE 89 CD1 0.0018 -0.0015 0.0009 8038 ILE 89 H 0.0010 -0.0025 -0.0001 8039 ILE 89 HA 0.0022 -0.0017 0.0010 8040 ILE 89 HB 0.0012 -0.0014 0.0006 8041 ILE 89 HG12 0.0024 -0.0026 0.0007 8042 ILE 89 HG13 0.0026 -0.0018 0.0012 8043 ILE 89 HG21 0.0006 -0.0025 -0.0004 8044 ILE 89 HG22 0.0008 -0.0025 -0.0002 8045 ILE 89 HG23 0.0014 -0.0032 -0.0002 8046 ILE 89 HD11 0.0022 -0.0017 0.0010 8047 ILE 89 HD12 0.0013 -0.0016 0.0005 8048 ILE 89 HD13 0.0018 -0.0009 0.0012 8049 SER 90 N 0.0033 -0.0029 0.0011 8050 SER 90 CA 0.0040 -0.0036 0.0011 8051 SER 90 C 0.0044 -0.0037 0.0013 8052 SER 90 O 0.0047 -0.0032 0.0018 8053 SER 90 CB 0.0046 -0.0035 0.0015 8054 SER 90 OG 0.0049 -0.0043 0.0013 8055 SER 90 H 0.0034 -0.0024 0.0014 8056 SER 90 HA 0.0038 -0.0041 0.0007 8057 SER 90 HB2 0.0043 -0.0031 0.0015 8058 SER 90 HB3 0.0050 -0.0033 0.0019 8059 SER 90 HG 0.0054 -0.0043 0.0016 8060 THR 91 N 0.0072 -0.0057 0.0024 8061 THR 91 CA 0.0042 -0.0037 0.0021 8062 THR 91 C 0.0030 -0.0021 0.0018 8063 THR 91 O 0.0047 -0.0022 0.0016 8064 THR 91 CB 0.0049 -0.0013 0.0013 8065 THR 91 OG1 0.0076 0.0006 0.0004 8066 THR 91 CG2 0.0057 -0.0029 0.0017 8067 THR 91 H 0.0092 -0.0046 0.0018 8068 THR 91 HA 0.0023 -0.0053 0.0028 8069 THR 91 HB 0.0027 0.0002 0.0011 8070 THR 91 HG1 0.0069 0.0028 -0.0002 8071 THR 91 HG21 0.0079 -0.0044 0.0019 8072 THR 91 HG22 0.0036 -0.0043 0.0024 8073 THR 91 HG23 0.0061 -0.0011 0.0011 8074 THR 92 N 0.0001 -0.0005 0.0016 8075 THR 92 CA -0.0012 0.0010 0.0013 8076 THR 92 C -0.0009 0.0046 0.0001 8077 THR 92 O -0.0027 0.0063 -0.0002 8078 THR 92 CB -0.0049 0.0001 0.0020 8079 THR 92 OG1 -0.0063 0.0020 0.0016 8080 THR 92 CG2 -0.0069 0.0007 0.0021 8081 THR 92 H -0.0011 -0.0004 0.0017 8082 THR 92 HA 0.0002 0.0001 0.0014 8083 THR 92 HB -0.0049 -0.0024 0.0028 8084 THR 92 HG1 -0.0076 0.0037 0.0012 8085 THR 92 HG21 -0.0094 -0.0001 0.0027 8086 THR 92 HG22 -0.0070 0.0032 0.0013 8087 THR 92 HG23 -0.0059 -0.0007 0.0024 8088 PRO 93 N 0.0014 0.0059 -0.0005 8089 PRO 93 CA 0.0018 0.0094 -0.0017 8090 PRO 93 C -0.0013 0.0113 -0.0019 8091 PRO 93 O -0.0038 0.0099 -0.0012 8092 PRO 93 CB 0.0044 0.0097 -0.0021 8093 PRO 93 CG 0.0063 0.0066 -0.0014 8094 PRO 93 CD 0.0039 0.0042 -0.0003 8095 PRO 93 HA 0.0027 0.0103 -0.0021 8096 PRO 93 HB2 0.0032 0.0102 -0.0021 8097 PRO 93 HB3 0.0060 0.0117 -0.0029 8098 PRO 93 HG2 0.0073 0.0062 -0.0013 8099 PRO 93 HG3 0.0083 0.0066 -0.0016 8100 PRO 93 HD2 0.0029 0.0032 0.0001 8101 PRO 93 HD3 0.0051 0.0023 0.0001 8102 LEU 94 N -0.0011 0.0144 -0.0029 8103 LEU 94 CA -0.0039 0.0165 -0.0032 8104 LEU 94 C -0.0049 0.0161 -0.0030 8105 LEU 94 O -0.0030 0.0149 -0.0028 8106 LEU 94 CB -0.0030 0.0200 -0.0044 8107 LEU 94 CG 0.0006 0.0205 -0.0050 8108 LEU 94 CD1 0.0028 0.0202 -0.0052 8109 LEU 94 CD2 0.0009 0.0238 -0.0061 8110 LEU 94 H 0.0010 0.0153 -0.0034 8111 LEU 94 HA -0.0059 0.0160 -0.0028 8112 LEU 94 HB2 -0.0035 0.0213 -0.0048 8113 LEU 94 HB3 -0.0045 0.0210 -0.0045 8114 LEU 94 HG 0.0014 0.0188 -0.0046 8115 LEU 94 HD11 0.0037 0.0178 -0.0045 8116 LEU 94 HD12 0.0048 0.0218 -0.0059 8117 LEU 94 HD13 0.0013 0.0208 -0.0052 8118 LEU 94 HD21 0.0035 0.0242 -0.0065 8119 LEU 94 HD22 -0.0004 0.0239 -0.0060 8120 LEU 94 HD23 -0.0001 0.0256 -0.0065 8121 GLU 95 N -0.0079 0.0172 -0.0029 8122 GLU 95 CA -0.0092 0.0169 -0.0027 8123 GLU 95 C -0.0120 0.0194 -0.0031 8124 GLU 95 O -0.0136 0.0206 -0.0033 8125 GLU 95 CB -0.0104 0.0136 -0.0015 8126 GLU 95 CG -0.0138 0.0129 -0.0009 8127 GLU 95 CD -0.0137 0.0126 -0.0008 8128 GLU 95 OE1 -0.0131 0.0099 -0.0001 8129 GLU 95 OE2 -0.0145 0.0150 -0.0015 8130 GLU 95 H -0.0093 0.0181 -0.0031 8131 GLU 95 HA -0.0072 0.0174 -0.0031 8132 GLU 95 HB2 -0.0106 0.0132 -0.0014 8133 GLU 95 HB3 -0.0086 0.0119 -0.0012 8134 GLU 95 HG2 -0.0155 0.0148 -0.0013 8135 GLU 95 HG3 -0.0146 0.0107 -0.0001 8136 ASN 96 N -0.0126 0.0202 -0.0033 8137 ASN 96 CA -0.0152 0.0225 -0.0037 8138 ASN 96 C -0.0186 0.0211 -0.0029 8139 ASN 96 O -0.0187 0.0181 -0.0019 8140 ASN 96 CB -0.0145 0.0238 -0.0042 8141 ASN 96 CG -0.0141 0.0213 -0.0035 8142 ASN 96 OD1 -0.0165 0.0201 -0.0028 8143 ASN 96 ND2 -0.0111 0.0204 -0.0036 8144 ASN 96 OXT -0.0211 0.0229 -0.0031 8145 ASN 96 H -0.0113 0.0191 -0.0031 8146 ASN 96 HA -0.0151 0.0244 -0.0043 8147 ASN 96 HB2 -0.0166 0.0254 -0.0045 8148 ASN 96 HB3 -0.0123 0.0252 -0.0049 8149 ASN 96 HD21 -0.0093 0.0214 -0.0041 8150 ASN 96 HD22 -0.0107 0.0187 -0.0031 8151 SER 101 N -0.0028 0.0032 0.0031 8152 SER 101 CA -0.0027 0.0034 0.0037 8153 SER 101 C -0.0014 0.0031 0.0038 8154 SER 101 O -0.0011 0.0032 0.0043 8155 SER 101 CB -0.0030 0.0039 0.0049 8156 SER 101 OG -0.0041 0.0042 0.0049 8157 SER 101 H1 -0.0022 0.0032 0.0035 8158 SER 101 H2 -0.0025 0.0029 0.0023 8159 SER 101 H3 -0.0036 0.0035 0.0031 8160 SER 101 HA -0.0032 0.0034 0.0032 8161 SER 101 HB2 -0.0024 0.0039 0.0054 8162 SER 101 HB3 -0.0031 0.0041 0.0053 8163 SER 101 HG -0.0047 0.0045 0.0053 8164 TRP 102 N -0.0007 0.0026 0.0032 8165 TRP 102 CA 0.0006 0.0023 0.0032 8166 TRP 102 C 0.0011 0.0019 0.0024 8167 TRP 102 O 0.0016 0.0019 0.0029 8168 TRP 102 CB 0.0012 0.0025 0.0044 8169 TRP 102 CG 0.0024 0.0022 0.0044 8170 TRP 102 CD1 0.0033 0.0018 0.0039 8171 TRP 102 CD2 0.0028 0.0023 0.0050 8172 TRP 102 NE1 0.0043 0.0016 0.0042 8173 TRP 102 CE2 0.0040 0.0019 0.0048 8174 TRP 102 CE3 0.0023 0.0027 0.0057 8175 TRP 102 CZ2 0.0046 0.0019 0.0053 8176 TRP 102 CZ3 0.0029 0.0026 0.0061 8177 TRP 102 CH2 0.0041 0.0022 0.0060 8178 TRP 102 H -0.0010 0.0026 0.0028 8179 TRP 102 HA 0.0006 0.0021 0.0028 8180 TRP 102 HB2 0.0007 0.0029 0.0049 8181 TRP 102 HB3 0.0013 0.0026 0.0047 8182 TRP 102 HD1 0.0033 0.0016 0.0034 8183 TRP 102 HE1 0.0051 0.0013 0.0039 8184 TRP 102 HE3 0.0013 0.0030 0.0058 8185 TRP 102 HZ2 0.0055 0.0016 0.0052 8186 TRP 102 HZ3 0.0025 0.0029 0.0067 8187 TRP 102 HH2 0.0046 0.0022 0.0063 8188 GLU 103 N 0.0010 0.0015 0.0013 8189 GLU 103 CA 0.0014 0.0011 0.0005 8190 GLU 103 C 0.0025 0.0006 0.0000 8191 GLU 103 O 0.0035 0.0005 0.0004 8192 GLU 103 CB 0.0005 0.0011 -0.0004 8193 GLU 103 CG -0.0005 0.0015 -0.0000 8194 GLU 103 CD -0.0011 0.0020 0.0009 8195 GLU 103 OE1 -0.0017 0.0021 0.0007 8196 GLU 103 OE2 -0.0011 0.0023 0.0019 8197 GLU 103 H 0.0006 0.0015 0.0010 8198 GLU 103 HA 0.0017 0.0012 0.0010 8199 GLU 103 HB2 0.0001 0.0011 -0.0007 8200 GLU 103 HB3 0.0009 0.0007 -0.0011 8201 GLU 103 HG2 -0.0011 0.0014 -0.0007 8202 GLU 103 HG3 -0.0001 0.0015 0.0003 8203 SER 104 N 0.0024 0.0004 -0.0008 8204 SER 104 CA 0.0033 -0.0001 -0.0013 8205 SER 104 C 0.0037 -0.0000 -0.0008 8206 SER 104 O 0.0029 0.0003 -0.0005 8207 SER 104 CB 0.0030 -0.0004 -0.0026 8208 SER 104 OG 0.0022 -0.0004 -0.0030 8209 SER 104 H 0.0016 0.0005 -0.0010 8210 SER 104 HA 0.0041 -0.0002 -0.0012 8211 SER 104 HB2 0.0027 -0.0004 -0.0028 8212 SER 104 HB3 0.0038 -0.0008 -0.0030 8213 SER 104 HG 0.0024 -0.0003 -0.0026 8214 HIS 105 N 0.0048 -0.0003 -0.0007 8215 HIS 105 CA 0.0052 -0.0003 -0.0003 8216 HIS 105 C 0.0056 -0.0007 -0.0012 8217 HIS 105 O 0.0058 -0.0007 -0.0011 8218 HIS 105 CB 0.0062 -0.0002 0.0007 8219 HIS 105 CG 0.0063 0.0001 0.0016 8220 HIS 105 ND1 0.0057 0.0006 0.0025 8221 HIS 105 CD2 0.0068 -0.0001 0.0016 8222 HIS 105 CE1 0.0059 0.0007 0.0031 8223 HIS 105 NE2 0.0066 0.0003 0.0026 8224 HIS 105 H 0.0053 -0.0005 -0.0010 8225 HIS 105 HA 0.0045 0.0001 0.0001 8226 HIS 105 HB2 0.0061 -0.0000 0.0011 8227 HIS 105 HB3 0.0070 -0.0006 0.0003 8228 HIS 105 HD2 0.0074 -0.0005 0.0010 8229 HIS 105 HE1 0.0056 0.0011 0.0039 8230 HIS 105 HE2 0.0067 0.0004 0.0028 8231 LYS 106 N 0.0058 -0.0011 -0.0022 8232 LYS 106 CA 0.0062 -0.0016 -0.0032 8233 LYS 106 C 0.0053 -0.0015 -0.0037 8234 LYS 106 O 0.0044 -0.0015 -0.0043 8235 LYS 106 CB 0.0065 -0.0020 -0.0041 8236 LYS 106 CG 0.0069 -0.0025 -0.0051 8237 LYS 106 CD 0.0071 -0.0028 -0.0061 8238 LYS 106 CE 0.0074 -0.0033 -0.0072 8239 LYS 106 NZ 0.0075 -0.0037 -0.0081 8240 LYS 106 H 0.0056 -0.0011 -0.0023 8241 LYS 106 HA 0.0070 -0.0017 -0.0029 8242 LYS 106 HB2 0.0071 -0.0020 -0.0037 8243 LYS 106 HB3 0.0057 -0.0018 -0.0044 8244 LYS 106 HG2 0.0063 -0.0024 -0.0055 8245 LYS 106 HG3 0.0078 -0.0026 -0.0049 8246 LYS 106 HD2 0.0078 -0.0029 -0.0058 8247 LYS 106 HD3 0.0063 -0.0027 -0.0062 8248 LYS 106 HE2 0.0066 -0.0032 -0.0075 8249 LYS 106 HE3 0.0081 -0.0035 -0.0070 8250 LYS 106 HZ1 0.0083 -0.0039 -0.0080 8251 LYS 106 HZ2 0.0074 -0.0039 -0.0089 8252 LYS 106 HZ3 0.0069 -0.0035 -0.0081 8253 SER 107 N 0.0044 0.0017 0.0007 8254 SER 107 CA 0.0042 0.0018 0.0006 8255 SER 107 C 0.0038 0.0019 0.0006 8256 SER 107 O 0.0036 0.0019 0.0005 8257 SER 107 CB 0.0041 0.0016 0.0007 8258 SER 107 OG 0.0042 0.0013 0.0008 8259 SER 107 H 0.0043 0.0016 0.0007 8260 SER 107 HA 0.0043 0.0021 0.0006 8261 SER 107 HB2 0.0038 0.0016 0.0007 8262 SER 107 HB3 0.0043 0.0017 0.0007 8263 SER 107 HG 0.0043 0.0013 0.0008 8264 GLY 108 N 0.0038 0.0020 0.0005 8265 GLY 108 CA 0.0035 0.0021 0.0005 8266 GLY 108 C 0.0035 0.0020 0.0005 8267 GLY 108 O 0.0037 0.0021 0.0005 8268 GLY 108 H 0.0040 0.0020 0.0006 8269 GLY 108 HA2 0.0035 0.0023 0.0004 8270 GLY 108 HA3 0.0033 0.0020 0.0005 8271 GLY 109 N 0.0034 0.0017 0.0006 8272 GLY 109 CA 0.0034 0.0016 0.0006 8273 GLY 109 C 0.0032 0.0013 0.0007 8274 GLY 109 O 0.0033 0.0010 0.0008 8275 GLY 109 H 0.0033 0.0016 0.0006 8276 GLY 109 HA2 0.0036 0.0016 0.0007 8277 GLY 109 HA3 0.0033 0.0017 0.0005 8278 GLU 110 N 0.0030 0.0012 0.0007 8279 GLU 110 CA 0.0028 0.0009 0.0008 8280 GLU 110 C 0.0024 0.0010 0.0007 8281 GLU 110 O 0.0022 0.0008 0.0007 8282 GLU 110 CB 0.0029 0.0008 0.0008 8283 GLU 110 CG 0.0033 0.0007 0.0009 8284 GLU 110 CD 0.0034 0.0005 0.0010 8285 GLU 110 OE1 0.0034 0.0007 0.0009 8286 GLU 110 OE2 0.0034 0.0002 0.0011 8287 GLU 110 H 0.0029 0.0014 0.0006 8288 GLU 110 HA 0.0028 0.0008 0.0008 8289 GLU 110 HB2 0.0029 0.0009 0.0008 8290 GLU 110 HB3 0.0028 0.0005 0.0009 8291 GLU 110 HG2 0.0033 0.0005 0.0010 8292 GLU 110 HG3 0.0034 0.0009 0.0009 8293 THR 111 N 0.0023 0.0012 0.0006 8294 THR 111 CA 0.0020 0.0013 0.0005 8295 THR 111 C 0.0018 0.0010 0.0006 8296 THR 111 O 0.0018 0.0010 0.0006 8297 THR 111 CB 0.0019 0.0016 0.0004 8298 THR 111 OG1 0.0022 0.0018 0.0004 8299 THR 111 CG2 0.0016 0.0017 0.0003 8300 THR 111 H 0.0025 0.0013 0.0006 8301 THR 111 HA 0.0019 0.0013 0.0005 8302 THR 111 HB 0.0020 0.0015 0.0004 8303 THR 111 HG1 0.0022 0.0018 0.0004 8304 THR 111 HG21 0.0016 0.0019 0.0002 8305 THR 111 HG22 0.0016 0.0018 0.0003 8306 THR 111 HG23 0.0014 0.0015 0.0004 8307 ARG 112 N 0.0016 0.0008 0.0006 8308 ARG 112 CA 0.0014 0.0005 0.0007 8309 ARG 112 C 0.0010 0.0006 0.0006 8310 ARG 112 O 0.0009 0.0009 0.0005 8311 ARG 112 CB 0.0014 0.0003 0.0008 8312 ARG 112 CG 0.0013 0.0003 0.0008 8313 ARG 112 CD 0.0012 0.0000 0.0008 8314 ARG 112 NE 0.0008 -0.0000 0.0008 8315 ARG 112 CZ 0.0006 -0.0003 0.0009 8316 ARG 112 NH1 0.0007 -0.0005 0.0010 8317 ARG 112 NH2 0.0003 -0.0003 0.0008 8318 ARG 112 H 0.0016 0.0008 0.0006 8319 ARG 112 HA 0.0015 0.0005 0.0007 8320 ARG 112 HB2 0.0012 0.0001 0.0008 8321 ARG 112 HB3 0.0017 0.0002 0.0009 8322 ARG 112 HG2 0.0016 0.0004 0.0008 8323 ARG 112 HG3 0.0012 0.0005 0.0007 8324 ARG 112 HD2 0.0013 -0.0002 0.0009 8325 ARG 112 HD3 0.0011 0.0001 0.0008 8326 ARG 112 HE 0.0007 0.0002 0.0007 8327 ARG 112 HH11 0.0010 -0.0005 0.0010 8328 ARG 112 HH12 0.0006 -0.0007 0.0010 8329 ARG 112 HH21 0.0002 -0.0001 0.0008 8330 ARG 112 HH22 0.0002 -0.0005 0.0009 8331 LEU 113 N 0.0000 0.0017 0.0009 8332 LEU 113 CA -0.0005 0.0016 0.0007 8333 LEU 113 C -0.0010 0.0014 0.0004 8334 LEU 113 O -0.0012 0.0016 0.0004 8335 LEU 113 CB -0.0004 0.0012 0.0007 8336 LEU 113 CG 0.0000 0.0015 0.0009 8337 LEU 113 CD1 -0.0002 0.0022 0.0008 8338 LEU 113 CD2 0.0007 0.0016 0.0012 8339 LEU 113 OXT -0.0013 0.0009 0.0002 8340 LEU 113 H 0.0003 0.0012 0.0010 8341 LEU 113 HA -0.0006 0.0022 0.0007 8342 LEU 113 HB2 -0.0001 0.0007 0.0008 8343 LEU 113 HB3 -0.0008 0.0011 0.0005 8344 LEU 113 HG 0.0000 0.0012 0.0009 8345 LEU 113 HD11 0.0000 0.0024 0.0010 8346 LEU 113 HD12 -0.0002 0.0026 0.0009 8347 LEU 113 HD13 -0.0007 0.0022 0.0006 8348 LEU 113 HD21 0.0009 0.0010 0.0012 8349 LEU 113 HD22 0.0007 0.0019 0.0013 8350 LEU 113 HD23 0.0010 0.0018 0.0014 8351 GLY 1 N -0.0113 -0.0009 0.0124 8352 GLY 1 CA -0.0096 -0.0009 0.0109 8353 GLY 1 C -0.0066 -0.0027 0.0094 8354 GLY 1 O -0.0058 -0.0037 0.0093 8355 GLY 1 H1 -0.0133 0.0004 0.0134 8356 GLY 1 H2 -0.0111 -0.0032 0.0138 8357 GLY 1 H3 -0.0106 -0.0001 0.0113 8358 GLY 1 HA2 -0.0098 0.0014 0.0096 8359 GLY 1 HA3 -0.0102 -0.0019 0.0121 8360 GLY 2 N -0.0050 -0.0032 0.0082 8361 GLY 2 CA -0.0021 -0.0049 0.0067 8362 GLY 2 C -0.0011 -0.0075 0.0075 8363 GLY 2 O -0.0027 -0.0079 0.0092 8364 GLY 2 H -0.0057 -0.0024 0.0084 8365 GLY 2 HA2 -0.0016 -0.0059 0.0070 8366 GLY 2 HA3 -0.0010 -0.0034 0.0048 8367 SER 3 N 0.0015 -0.0093 0.0063 8368 SER 3 CA 0.0027 -0.0119 0.0069 8369 SER 3 C 0.0053 -0.0117 0.0045 8370 SER 3 O 0.0060 -0.0095 0.0024 8371 SER 3 CB 0.0034 -0.0149 0.0082 8372 SER 3 OG 0.0012 -0.0149 0.0102 8373 SER 3 H 0.0027 -0.0089 0.0050 8374 SER 3 HA 0.0012 -0.0118 0.0081 8375 SER 3 HB2 0.0051 -0.0152 0.0068 8376 SER 3 HB3 0.0039 -0.0168 0.0090 8377 SER 3 HG 0.0001 -0.0128 0.0098 8378 MET 4 N 0.0066 -0.0139 0.0047 8379 MET 4 CA 0.0091 -0.0140 0.0025 8380 MET 4 C 0.0086 -0.0111 0.0011 8381 MET 4 O 0.0094 -0.0091 -0.0009 8382 MET 4 CB 0.0114 -0.0145 0.0007 8383 MET 4 CG 0.0133 -0.0178 0.0012 8384 MET 4 SD 0.0158 -0.0183 -0.0007 8385 MET 4 CE 0.0179 -0.0164 -0.0038 8386 MET 4 H 0.0059 -0.0156 0.0064 8387 MET 4 HA 0.0096 -0.0159 0.0033 8388 MET 4 HB2 0.0106 -0.0136 0.0009 8389 MET 4 HB3 0.0126 -0.0132 -0.0012 8390 MET 4 HG2 0.0143 -0.0186 0.0007 8391 MET 4 HG3 0.0121 -0.0192 0.0031 8392 MET 4 HE1 0.0167 -0.0141 -0.0043 8393 MET 4 HE2 0.0195 -0.0166 -0.0052 8394 MET 4 HE3 0.0187 -0.0176 -0.0039 8395 ARG 5 N 0.0072 -0.0108 0.0022 8396 ARG 5 CA 0.0066 -0.0082 0.0010 8397 ARG 5 C 0.0092 -0.0084 -0.0012 8398 ARG 5 O 0.0106 -0.0109 -0.0009 8399 ARG 5 CB 0.0043 -0.0080 0.0030 8400 ARG 5 CG 0.0015 -0.0074 0.0051 8401 ARG 5 CD 0.0012 -0.0103 0.0072 8402 ARG 5 NE -0.0012 -0.0098 0.0091 8403 ARG 5 CZ -0.0021 -0.0121 0.0113 8404 ARG 5 NH1 -0.0006 -0.0150 0.0119 8405 ARG 5 NH2 -0.0043 -0.0114 0.0129 8406 ARG 5 H 0.0065 -0.0125 0.0039 8407 ARG 5 HA 0.0059 -0.0062 0.0003 8408 ARG 5 HB2 0.0048 -0.0101 0.0039 8409 ARG 5 HB3 0.0041 -0.0061 0.0020 8410 ARG 5 HG2 -0.0001 -0.0063 0.0058 8411 ARG 5 HG3 0.0013 -0.0059 0.0043 8412 ARG 5 HD2 0.0030 -0.0116 0.0065 8413 ARG 5 HD3 0.0012 -0.0117 0.0081 8414 ARG 5 HE -0.0023 -0.0077 0.0087 8415 ARG 5 HH11 0.0011 -0.0155 0.0106 8416 ARG 5 HH12 -0.0013 -0.0167 0.0135 8417 ARG 5 HH21 -0.0054 -0.0092 0.0125 8418 ARG 5 HH22 -0.0050 -0.0131 0.0146 8419 PRO 6 N 0.0098 -0.0058 -0.0033 8420 PRO 6 CA 0.0122 -0.0058 -0.0056 8421 PRO 6 C 0.0118 -0.0051 -0.0057 8422 PRO 6 O 0.0101 -0.0027 -0.0057 8423 PRO 6 CB 0.0127 -0.0030 -0.0078 8424 PRO 6 CG 0.0104 -0.0018 -0.0065 8425 PRO 6 CD 0.0082 -0.0028 -0.0039 8426 PRO 6 HA 0.0139 -0.0079 -0.0058 8427 PRO 6 HB2 0.0127 -0.0013 -0.0089 8428 PRO 6 HB3 0.0146 -0.0039 -0.0090 8429 PRO 6 HG2 0.0097 0.0007 -0.0075 8430 PRO 6 HG3 0.0110 -0.0027 -0.0065 8431 PRO 6 HD2 0.0070 -0.0013 -0.0038 8432 PRO 6 HD3 0.0069 -0.0029 -0.0027 8433 PRO 7 N 0.0044 -0.0053 -0.0005 8434 PRO 7 CA 0.0037 -0.0045 -0.0004 8435 PRO 7 C 0.0028 -0.0048 -0.0010 8436 PRO 7 O 0.0024 -0.0051 -0.0014 8437 PRO 7 CB 0.0036 -0.0040 -0.0001 8438 PRO 7 CG 0.0044 -0.0044 0.0001 8439 PRO 7 CD 0.0046 -0.0053 -0.0004 8440 PRO 7 HA 0.0038 -0.0042 -0.0001 8441 PRO 7 HB2 0.0030 -0.0040 -0.0004 8442 PRO 7 HB3 0.0036 -0.0033 0.0003 8443 PRO 7 HG2 0.0042 -0.0043 0.0000 8444 PRO 7 HG3 0.0050 -0.0041 0.0005 8445 PRO 7 HD2 0.0043 -0.0057 -0.0008 8446 PRO 7 HD3 0.0054 -0.0056 -0.0002 8447 ILE 8 N 0.0024 -0.0045 -0.0011 8448 ILE 8 CA 0.0016 -0.0047 -0.0016 8449 ILE 8 C 0.0008 -0.0039 -0.0015 8450 ILE 8 O 0.0008 -0.0032 -0.0011 8451 ILE 8 CB 0.0015 -0.0048 -0.0017 8452 ILE 8 CG1 0.0024 -0.0053 -0.0015 8453 ILE 8 CG2 0.0008 -0.0053 -0.0023 8454 ILE 8 CD1 0.0025 -0.0051 -0.0013 8455 ILE 8 H 0.0027 -0.0043 -0.0007 8456 ILE 8 HA 0.0015 -0.0053 -0.0020 8457 ILE 8 HB 0.0013 -0.0042 -0.0014 8458 ILE 8 HG12 0.0024 -0.0060 -0.0019 8459 ILE 8 HG13 0.0029 -0.0051 -0.0011 8460 ILE 8 HG21 0.0002 -0.0049 -0.0025 8461 ILE 8 HG22 0.0007 -0.0053 -0.0024 8462 ILE 8 HG23 0.0010 -0.0059 -0.0026 8463 ILE 8 HD11 0.0019 -0.0050 -0.0016 8464 ILE 8 HD12 0.0027 -0.0045 -0.0009 8465 ILE 8 HD13 0.0030 -0.0056 -0.0014 8466 ILE 9 N 0.0003 -0.0041 -0.0019 8467 ILE 9 CA -0.0003 -0.0034 -0.0018 8468 ILE 9 C -0.0012 -0.0032 -0.0021 8469 ILE 9 O -0.0017 -0.0037 -0.0027 8470 ILE 9 CB -0.0006 -0.0036 -0.0021 8471 ILE 9 CG1 0.0002 -0.0042 -0.0020 8472 ILE 9 CG2 -0.0011 -0.0028 -0.0019 8473 ILE 9 CD1 0.0009 -0.0037 -0.0014 8474 ILE 9 H 0.0004 -0.0047 -0.0022 8475 ILE 9 HA -0.0001 -0.0028 -0.0014 8476 ILE 9 HB -0.0011 -0.0040 -0.0026 8477 ILE 9 HG12 0.0005 -0.0047 -0.0022 8478 ILE 9 HG13 -0.0001 -0.0044 -0.0022 8479 ILE 9 HG21 -0.0017 -0.0025 -0.0020 8480 ILE 9 HG22 -0.0012 -0.0030 -0.0020 8481 ILE 9 HG23 -0.0006 -0.0024 -0.0014 8482 ILE 9 HD11 0.0014 -0.0041 -0.0013 8483 ILE 9 HD12 0.0012 -0.0035 -0.0011 8484 ILE 9 HD13 0.0006 -0.0031 -0.0012 8485 ILE 10 N -0.0013 -0.0025 -0.0018 8486 ILE 10 CA -0.0021 -0.0022 -0.0020 8487 ILE 10 C -0.0028 -0.0018 -0.0021 8488 ILE 10 O -0.0026 -0.0015 -0.0019 8489 ILE 10 CB -0.0019 -0.0016 -0.0016 8490 ILE 10 CG1 -0.0011 -0.0019 -0.0014 8491 ILE 10 CG2 -0.0028 -0.0014 -0.0019 8492 ILE 10 CD1 -0.0006 -0.0013 -0.0007 8493 ILE 10 H -0.0008 -0.0022 -0.0014 8494 ILE 10 HA -0.0022 -0.0028 -0.0024 8495 ILE 10 HB -0.0019 -0.0010 -0.0012 8496 ILE 10 HG12 -0.0014 -0.0021 -0.0016 8497 ILE 10 HG13 -0.0007 -0.0025 -0.0015 8498 ILE 10 HG21 -0.0026 -0.0011 -0.0017 8499 ILE 10 HG22 -0.0030 -0.0020 -0.0024 8500 ILE 10 HG23 -0.0033 -0.0009 -0.0019 8501 ILE 10 HD11 -0.0002 -0.0012 -0.0005 8502 ILE 10 HD12 -0.0002 -0.0015 -0.0006 8503 ILE 10 HD13 -0.0010 -0.0007 -0.0006 8504 HIS 11 N -0.0036 -0.0017 -0.0025 8505 HIS 11 CA -0.0044 -0.0012 -0.0026 8506 HIS 11 C -0.0050 -0.0007 -0.0027 8507 HIS 11 O -0.0054 -0.0010 -0.0030 8508 HIS 11 CB -0.0048 -0.0019 -0.0032 8509 HIS 11 CG -0.0056 -0.0015 -0.0034 8510 HIS 11 ND1 -0.0064 -0.0016 -0.0039 8511 HIS 11 CD2 -0.0056 -0.0009 -0.0031 8512 HIS 11 CE1 -0.0069 -0.0012 -0.0039 8513 HIS 11 NE2 -0.0065 -0.0007 -0.0035 8514 HIS 11 H -0.0037 -0.0019 -0.0027 8515 HIS 11 HA -0.0041 -0.0008 -0.0023 8516 HIS 11 HB2 -0.0043 -0.0023 -0.0032 8517 HIS 11 HB3 -0.0050 -0.0023 -0.0036 8518 HIS 11 HD2 -0.0051 -0.0007 -0.0027 8519 HIS 11 HE1 -0.0077 -0.0012 -0.0043 8520 HIS 11 HE2 -0.0068 -0.0003 -0.0033 8521 ARG 12 N -0.0051 0.0002 -0.0022 8522 ARG 12 CA -0.0057 0.0008 -0.0022 8523 ARG 12 C -0.0067 0.0007 -0.0027 8524 ARG 12 O -0.0071 0.0010 -0.0028 8525 ARG 12 CB -0.0056 0.0017 -0.0016 8526 ARG 12 CG -0.0061 0.0024 -0.0015 8527 ARG 12 CD -0.0059 0.0033 -0.0009 8528 ARG 12 NE -0.0064 0.0039 -0.0007 8529 ARG 12 CZ -0.0070 0.0046 -0.0006 8530 ARG 12 NH1 -0.0072 0.0048 -0.0006 8531 ARG 12 NH2 -0.0074 0.0052 -0.0005 8532 ARG 12 H -0.0048 0.0004 -0.0019 8533 ARG 12 HA -0.0055 0.0006 -0.0022 8534 ARG 12 HB2 -0.0049 0.0017 -0.0012 8535 ARG 12 HB3 -0.0059 0.0019 -0.0017 8536 ARG 12 HG2 -0.0068 0.0024 -0.0018 8537 ARG 12 HG3 -0.0058 0.0022 -0.0014 8538 ARG 12 HD2 -0.0052 0.0032 -0.0005 8539 ARG 12 HD3 -0.0062 0.0034 -0.0009 8540 ARG 12 HE -0.0063 0.0038 -0.0008 8541 ARG 12 HH11 -0.0069 0.0044 -0.0007 8542 ARG 12 HH12 -0.0076 0.0054 -0.0005 8543 ARG 12 HH21 -0.0073 0.0051 -0.0005 8544 ARG 12 HH22 -0.0079 0.0057 -0.0004 8545 ALA 13 N -0.0075 -0.0004 -0.0032 8546 ALA 13 CA -0.0086 -0.0006 -0.0037 8547 ALA 13 C -0.0092 0.0005 -0.0037 8548 ALA 13 O -0.0097 0.0004 -0.0040 8549 ALA 13 CB -0.0086 -0.0016 -0.0040 8550 ALA 13 H -0.0069 -0.0007 -0.0030 8551 ALA 13 HA -0.0089 -0.0008 -0.0040 8552 ALA 13 HB1 -0.0094 -0.0017 -0.0044 8553 ALA 13 HB2 -0.0082 -0.0014 -0.0038 8554 ALA 13 HB3 -0.0082 -0.0023 -0.0040 8555 GLY 14 N -0.0091 0.0014 -0.0034 8556 GLY 14 CA -0.0097 0.0024 -0.0034 8557 GLY 14 C -0.0092 0.0029 -0.0030 8558 GLY 14 O -0.0095 0.0039 -0.0029 8559 GLY 14 H -0.0087 0.0014 -0.0032 8560 GLY 14 HA2 -0.0098 0.0030 -0.0032 8561 GLY 14 HA3 -0.0105 0.0023 -0.0038 8562 LYS 15 N -0.0083 0.0024 -0.0028 8563 LYS 15 CA -0.0078 0.0028 -0.0024 8564 LYS 15 C -0.0066 0.0029 -0.0018 8565 LYS 15 O -0.0064 0.0038 -0.0014 8566 LYS 15 CB -0.0078 0.0020 -0.0026 8567 LYS 15 CG -0.0079 0.0008 -0.0030 8568 LYS 15 CD -0.0077 0.0000 -0.0031 8569 LYS 15 CE -0.0085 0.0003 -0.0035 8570 LYS 15 NZ -0.0085 -0.0005 -0.0037 8571 LYS 15 H -0.0081 0.0016 -0.0028 8572 LYS 15 HA -0.0082 0.0036 -0.0023 8573 LYS 15 HB2 -0.0071 0.0020 -0.0023 8574 LYS 15 HB3 -0.0085 0.0023 -0.0029 8575 LYS 15 HG2 -0.0086 0.0007 -0.0034 8576 LYS 15 HG3 -0.0073 0.0005 -0.0028 8577 LYS 15 HD2 -0.0077 -0.0008 -0.0034 8578 LYS 15 HD3 -0.0070 0.0001 -0.0028 8579 LYS 15 HE2 -0.0084 0.0011 -0.0032 8580 LYS 15 HE3 -0.0093 0.0004 -0.0038 8581 LYS 15 HZ1 -0.0085 -0.0013 -0.0039 8582 LYS 15 HZ2 -0.0091 -0.0003 -0.0039 8583 LYS 15 HZ3 -0.0078 -0.0005 -0.0033 8584 LYS 16 N -0.0060 0.0019 -0.0017 8585 LYS 16 CA -0.0049 0.0019 -0.0012 8586 LYS 16 C -0.0044 0.0008 -0.0013 8587 LYS 16 O -0.0049 0.0001 -0.0018 8588 LYS 16 CB -0.0043 0.0023 -0.0008 8589 LYS 16 CG -0.0047 0.0018 -0.0012 8590 LYS 16 CD -0.0040 0.0020 -0.0008 8591 LYS 16 CE -0.0045 0.0018 -0.0011 8592 LYS 16 NZ -0.0038 0.0017 -0.0008 8593 LYS 16 H -0.0062 0.0012 -0.0021 8594 LYS 16 HA -0.0048 0.0025 -0.0010 8595 LYS 16 HB2 -0.0035 0.0020 -0.0005 8596 LYS 16 HB3 -0.0044 0.0032 -0.0006 8597 LYS 16 HG2 -0.0055 0.0022 -0.0014 8598 LYS 16 HG3 -0.0047 0.0009 -0.0014 8599 LYS 16 HD2 -0.0033 0.0014 -0.0006 8600 LYS 16 HD3 -0.0038 0.0028 -0.0004 8601 LYS 16 HE2 -0.0051 0.0025 -0.0012 8602 LYS 16 HE3 -0.0049 0.0010 -0.0015 8603 LYS 16 HZ1 -0.0034 0.0009 -0.0008 8604 LYS 16 HZ2 -0.0042 0.0020 -0.0009 8605 LYS 16 HZ3 -0.0032 0.0023 -0.0003 8606 TYR 17 N -0.0034 0.0007 -0.0009 8607 TYR 17 CA -0.0028 -0.0004 -0.0009 8608 TYR 17 C -0.0024 -0.0011 -0.0009 8609 TYR 17 O -0.0019 -0.0020 -0.0009 8610 TYR 17 CB -0.0019 -0.0002 -0.0004 8611 TYR 17 CG -0.0022 0.0007 -0.0003 8612 TYR 17 CD1 -0.0022 0.0018 0.0000 8613 TYR 17 CD2 -0.0026 0.0004 -0.0006 8614 TYR 17 CE1 -0.0026 0.0026 0.0001 8615 TYR 17 CE2 -0.0030 0.0012 -0.0005 8616 TYR 17 CZ -0.0029 0.0023 -0.0002 8617 TYR 17 OH -0.0033 0.0031 -0.0001 8618 TYR 17 H -0.0030 0.0013 -0.0005 8619 TYR 17 HA -0.0033 -0.0008 -0.0013 8620 TYR 17 HB2 -0.0013 0.0001 -0.0000 8621 TYR 17 HB3 -0.0016 -0.0009 -0.0005 8622 TYR 17 HD1 -0.0019 0.0021 0.0002 8623 TYR 17 HD2 -0.0027 -0.0005 -0.0009 8624 TYR 17 HE1 -0.0025 0.0035 0.0003 8625 TYR 17 HE2 -0.0033 0.0010 -0.0007 8626 TYR 17 HH -0.0037 0.0028 -0.0004 8627 GLY 18 N -0.0028 -0.0007 -0.0010 8628 GLY 18 CA -0.0026 -0.0013 -0.0011 8629 GLY 18 C -0.0014 -0.0017 -0.0006 8630 GLY 18 O -0.0012 -0.0026 -0.0008 8631 GLY 18 H -0.0032 0.0001 -0.0010 8632 GLY 18 HA2 -0.0029 -0.0007 -0.0010 8633 GLY 18 HA3 -0.0030 -0.0020 -0.0015 8634 PHE 19 N 0.0007 -0.0002 0.0010 8635 PHE 19 CA 0.0010 -0.0003 0.0012 8636 PHE 19 C 0.0012 0.0000 0.0011 8637 PHE 19 O 0.0012 0.0003 0.0010 8638 PHE 19 CB 0.0009 -0.0005 0.0012 8639 PHE 19 CG 0.0008 -0.0003 0.0011 8640 PHE 19 CD1 0.0005 -0.0002 0.0010 8641 PHE 19 CD2 0.0011 -0.0003 0.0012 8642 PHE 19 CE1 0.0005 -0.0001 0.0009 8643 PHE 19 CE2 0.0010 -0.0001 0.0011 8644 PHE 19 CZ 0.0007 -0.0000 0.0009 8645 PHE 19 H 0.0006 0.0000 0.0009 8646 PHE 19 HA 0.0011 -0.0004 0.0013 8647 PHE 19 HB2 0.0011 -0.0006 0.0014 8648 PHE 19 HB3 0.0007 -0.0007 0.0012 8649 PHE 19 HD1 0.0003 -0.0003 0.0009 8650 PHE 19 HD2 0.0013 -0.0004 0.0013 8651 PHE 19 HE1 0.0002 0.0000 0.0007 8652 PHE 19 HE2 0.0012 -0.0001 0.0012 8653 PHE 19 HZ 0.0006 0.0001 0.0009 8654 THR 20 N 0.0016 -0.0000 0.0013 8655 THR 20 CA 0.0018 0.0002 0.0013 8656 THR 20 C 0.0020 0.0002 0.0013 8657 THR 20 O 0.0021 -0.0000 0.0015 8658 THR 20 CB 0.0021 0.0002 0.0014 8659 THR 20 OG1 0.0020 0.0002 0.0014 8660 THR 20 CG2 0.0024 0.0005 0.0014 8661 THR 20 H 0.0016 -0.0002 0.0014 8662 THR 20 HA 0.0018 0.0005 0.0011 8663 THR 20 HB 0.0022 -0.0000 0.0016 8664 THR 20 HG1 0.0018 0.0002 0.0013 8665 THR 20 HG21 0.0024 0.0007 0.0013 8666 THR 20 HG22 0.0025 0.0005 0.0014 8667 THR 20 HG23 0.0026 0.0004 0.0015 8668 LEU 21 N 0.0019 0.0005 0.0012 8669 LEU 21 CA 0.0021 0.0005 0.0013 8670 LEU 21 C 0.0024 0.0006 0.0013 8671 LEU 21 O 0.0025 0.0009 0.0012 8672 LEU 21 CB 0.0018 0.0006 0.0011 8673 LEU 21 CG 0.0018 0.0005 0.0011 8674 LEU 21 CD1 0.0019 0.0001 0.0013 8675 LEU 21 CD2 0.0014 0.0005 0.0010 8676 LEU 21 H 0.0018 0.0006 0.0011 8677 LEU 21 HA 0.0020 0.0002 0.0014 8678 LEU 21 HB2 0.0016 0.0006 0.0010 8679 LEU 21 HB3 0.0020 0.0009 0.0010 8680 LEU 21 HG 0.0019 0.0006 0.0011 8681 LEU 21 HD11 0.0018 0.0000 0.0014 8682 LEU 21 HD12 0.0017 -0.0000 0.0013 8683 LEU 21 HD13 0.0021 0.0001 0.0014 8684 LEU 21 HD21 0.0013 0.0003 0.0010 8685 LEU 21 HD22 0.0014 0.0004 0.0010 8686 LEU 21 HD23 0.0014 0.0007 0.0008 8687 ARG 22 N 0.0027 0.0004 0.0015 8688 ARG 22 CA 0.0030 0.0006 0.0016 8689 ARG 22 C 0.0031 0.0006 0.0016 8690 ARG 22 O 0.0030 0.0004 0.0017 8691 ARG 22 CB 0.0032 0.0004 0.0018 8692 ARG 22 CG 0.0034 0.0005 0.0018 8693 ARG 22 CD 0.0032 0.0007 0.0016 8694 ARG 22 NE 0.0034 0.0008 0.0017 8695 ARG 22 CZ 0.0033 0.0009 0.0016 8696 ARG 22 NH1 0.0031 0.0011 0.0014 8697 ARG 22 NH2 0.0035 0.0010 0.0016 8698 ARG 22 H 0.0026 0.0002 0.0016 8699 ARG 22 HA 0.0030 0.0008 0.0015 8700 ARG 22 HB2 0.0031 0.0002 0.0018 8701 ARG 22 HB3 0.0034 0.0003 0.0019 8702 ARG 22 HG2 0.0036 0.0004 0.0019 8703 ARG 22 HG3 0.0036 0.0007 0.0018 8704 ARG 22 HD2 0.0032 0.0009 0.0015 8705 ARG 22 HD3 0.0030 0.0005 0.0016 8706 ARG 22 HE 0.0036 0.0007 0.0018 8707 ARG 22 HH11 0.0029 0.0010 0.0013 8708 ARG 22 HH12 0.0030 0.0012 0.0013 8709 ARG 22 HH21 0.0037 0.0009 0.0017 8710 ARG 22 HH22 0.0034 0.0011 0.0015 8711 ALA 23 N 0.0034 0.0009 0.0016 8712 ALA 23 CA 0.0035 0.0010 0.0016 8713 ALA 23 C 0.0038 0.0008 0.0018 8714 ALA 23 O 0.0040 0.0009 0.0019 8715 ALA 23 CB 0.0035 0.0013 0.0015 8716 ALA 23 H 0.0034 0.0010 0.0016 8717 ALA 23 HA 0.0033 0.0008 0.0016 8718 ALA 23 HB1 0.0037 0.0014 0.0015 8719 ALA 23 HB2 0.0033 0.0014 0.0013 8720 ALA 23 HB3 0.0035 0.0014 0.0014 8721 ILE 24 N 0.0039 0.0007 0.0019 8722 ILE 24 CA 0.0042 0.0006 0.0021 8723 ILE 24 C 0.0043 0.0007 0.0021 8724 ILE 24 O 0.0041 0.0007 0.0020 8725 ILE 24 CB 0.0042 0.0003 0.0022 8726 ILE 24 CG1 0.0039 0.0001 0.0022 8727 ILE 24 CG2 0.0042 0.0002 0.0023 8728 ILE 24 CD1 0.0039 -0.0003 0.0024 8729 ILE 24 H 0.0037 0.0007 0.0018 8730 ILE 24 HA 0.0044 0.0008 0.0021 8731 ILE 24 HB 0.0044 0.0002 0.0024 8732 ILE 24 HG12 0.0037 0.0001 0.0021 8733 ILE 24 HG13 0.0039 0.0002 0.0022 8734 ILE 24 HG21 0.0044 0.0003 0.0023 8735 ILE 24 HG22 0.0042 -0.0001 0.0024 8736 ILE 24 HG23 0.0040 0.0003 0.0021 8737 ILE 24 HD11 0.0041 -0.0003 0.0025 8738 ILE 24 HD12 0.0037 -0.0004 0.0024 8739 ILE 24 HD13 0.0039 -0.0004 0.0025 8740 ARG 25 N 0.0020 0.0008 0.0005 8741 ARG 25 CA 0.0005 0.0007 -0.0007 8742 ARG 25 C -0.0009 0.0017 -0.0007 8743 ARG 25 O -0.0012 0.0015 -0.0010 8744 ARG 25 CB 0.0006 -0.0009 -0.0020 8745 ARG 25 CG 0.0021 -0.0022 -0.0020 8746 ARG 25 CD 0.0021 -0.0037 -0.0033 8747 ARG 25 NE 0.0037 -0.0048 -0.0032 8748 ARG 25 CZ 0.0039 -0.0063 -0.0043 8749 ARG 25 NH1 0.0027 -0.0068 -0.0055 8750 ARG 25 NH2 0.0054 -0.0072 -0.0041 8751 ARG 25 H 0.0025 0.0005 0.0006 8752 ARG 25 HA 0.0003 0.0009 -0.0006 8753 ARG 25 HB2 0.0005 -0.0011 -0.0022 8754 ARG 25 HB3 -0.0005 -0.0011 -0.0028 8755 ARG 25 HG2 0.0023 -0.0020 -0.0017 8756 ARG 25 HG3 0.0032 -0.0021 -0.0012 8757 ARG 25 HD2 0.0012 -0.0037 -0.0039 8758 ARG 25 HD3 0.0016 -0.0040 -0.0039 8759 ARG 25 HE 0.0046 -0.0045 -0.0023 8760 ARG 25 HH11 0.0016 -0.0061 -0.0057 8761 ARG 25 HH12 0.0029 -0.0079 -0.0063 8762 ARG 25 HH21 0.0064 -0.0068 -0.0032 8763 ARG 25 HH22 0.0056 -0.0083 -0.0049 8764 VAL 26 N -0.0019 0.0030 -0.0003 8765 VAL 26 CA -0.0033 0.0041 -0.0003 8766 VAL 26 C -0.0048 0.0036 -0.0017 8767 VAL 26 O -0.0054 0.0035 -0.0022 8768 VAL 26 CB -0.0037 0.0057 0.0008 8769 VAL 26 CG1 -0.0026 0.0064 0.0022 8770 VAL 26 CG2 -0.0037 0.0056 0.0007 8771 VAL 26 H -0.0016 0.0031 -0.0000 8772 VAL 26 HA -0.0030 0.0041 -0.0000 8773 VAL 26 HB -0.0050 0.0063 0.0005 8774 VAL 26 HG11 -0.0029 0.0075 0.0029 8775 VAL 26 HG12 -0.0013 0.0057 0.0024 8776 VAL 26 HG13 -0.0026 0.0065 0.0022 8777 VAL 26 HG21 -0.0040 0.0067 0.0015 8778 VAL 26 HG22 -0.0046 0.0051 -0.0003 8779 VAL 26 HG23 -0.0025 0.0049 0.0010 8780 TYR 27 N -0.0054 0.0033 -0.0023 8781 TYR 27 CA -0.0068 0.0029 -0.0036 8782 TYR 27 C -0.0084 0.0042 -0.0035 8783 TYR 27 O -0.0085 0.0055 -0.0025 8784 TYR 27 CB -0.0069 0.0020 -0.0044 8785 TYR 27 CG -0.0059 0.0003 -0.0051 8786 TYR 27 CD1 -0.0042 -0.0002 -0.0045 8787 TYR 27 CD2 -0.0066 -0.0007 -0.0065 8788 TYR 27 CE1 -0.0033 -0.0017 -0.0051 8789 TYR 27 CE2 -0.0057 -0.0022 -0.0072 8790 TYR 27 CZ -0.0040 -0.0027 -0.0065 8791 TYR 27 OH -0.0031 -0.0042 -0.0072 8792 TYR 27 H -0.0049 0.0034 -0.0019 8793 TYR 27 HA -0.0068 0.0021 -0.0042 8794 TYR 27 HB2 -0.0064 0.0025 -0.0037 8795 TYR 27 HB3 -0.0082 0.0021 -0.0051 8796 TYR 27 HD1 -0.0036 0.0006 -0.0034 8797 TYR 27 HD2 -0.0079 -0.0004 -0.0071 8798 TYR 27 HE1 -0.0019 -0.0021 -0.0046 8799 TYR 27 HE2 -0.0063 -0.0031 -0.0083 8800 TYR 27 HH -0.0037 -0.0048 -0.0080 8801 MET 28 N -0.0097 0.0040 -0.0045 8802 MET 28 CA -0.0112 0.0053 -0.0045 8803 MET 28 C -0.0123 0.0054 -0.0051 8804 MET 28 O -0.0136 0.0052 -0.0062 8805 MET 28 CB -0.0121 0.0050 -0.0052 8806 MET 28 CG -0.0110 0.0048 -0.0048 8807 MET 28 SD -0.0121 0.0047 -0.0056 8808 MET 28 CE -0.0105 0.0043 -0.0048 8809 MET 28 H -0.0095 0.0030 -0.0053 8810 MET 28 HA -0.0110 0.0063 -0.0035 8811 MET 28 HB2 -0.0124 0.0041 -0.0063 8812 MET 28 HB3 -0.0132 0.0060 -0.0051 8813 MET 28 HG2 -0.0106 0.0057 -0.0037 8814 MET 28 HG3 -0.0100 0.0037 -0.0050 8815 MET 28 HE1 -0.0095 0.0032 -0.0051 8816 MET 28 HE2 -0.0100 0.0052 -0.0037 8817 MET 28 HE3 -0.0110 0.0042 -0.0052 8818 GLY 29 N -0.0117 0.0057 -0.0045 8819 GLY 29 CA -0.0126 0.0058 -0.0050 8820 GLY 29 C -0.0125 0.0042 -0.0062 8821 GLY 29 O -0.0111 0.0032 -0.0062 8822 GLY 29 H -0.0107 0.0058 -0.0036 8823 GLY 29 HA2 -0.0121 0.0063 -0.0042 8824 GLY 29 HA3 -0.0139 0.0064 -0.0053 8825 ASP 30 N -0.0138 0.0041 -0.0072 8826 ASP 30 CA -0.0138 0.0026 -0.0084 8827 ASP 30 C -0.0141 0.0017 -0.0094 8828 ASP 30 O -0.0155 0.0018 -0.0103 8829 ASP 30 CB -0.0151 0.0028 -0.0091 8830 ASP 30 CG -0.0150 0.0013 -0.0104 8831 ASP 30 OD1 -0.0137 0.0004 -0.0102 8832 ASP 30 OD2 -0.0163 0.0010 -0.0115 8833 ASP 30 H -0.0149 0.0049 -0.0072 8834 ASP 30 HA -0.0126 0.0020 -0.0082 8835 ASP 30 HB2 -0.0149 0.0035 -0.0084 8836 ASP 30 HB3 -0.0163 0.0033 -0.0095 8837 SER 31 N -0.0146 0.0006 -0.0109 8838 SER 31 CA -0.0146 -0.0005 -0.0115 8839 SER 31 C -0.0127 -0.0020 -0.0110 8840 SER 31 O -0.0114 -0.0018 -0.0100 8841 SER 31 CB -0.0149 0.0008 -0.0110 8842 SER 31 OG -0.0138 0.0021 -0.0095 8843 SER 31 H -0.0135 0.0006 -0.0101 8844 SER 31 HA -0.0156 -0.0013 -0.0126 8845 SER 31 HB2 -0.0146 -0.0000 -0.0112 8846 SER 31 HB3 -0.0163 0.0017 -0.0115 8847 SER 31 HG -0.0145 0.0034 -0.0094 8848 ASP 32 N -0.0126 -0.0035 -0.0116 8849 ASP 32 CA -0.0109 -0.0050 -0.0113 8850 ASP 32 C -0.0096 -0.0043 -0.0101 8851 ASP 32 O -0.0080 -0.0051 -0.0094 8852 ASP 32 CB -0.0113 -0.0069 -0.0125 8853 ASP 32 CG -0.0096 -0.0085 -0.0122 8854 ASP 32 OD1 -0.0086 -0.0092 -0.0119 8855 ASP 32 OD2 -0.0091 -0.0092 -0.0123 8856 ASP 32 H -0.0137 -0.0036 -0.0124 8857 ASP 32 HA -0.0102 -0.0052 -0.0109 8858 ASP 32 HB2 -0.0122 -0.0073 -0.0133 8859 ASP 32 HB3 -0.0119 -0.0066 -0.0128 8860 VAL 33 N -0.0105 -0.0028 -0.0098 8861 VAL 33 CA -0.0095 -0.0019 -0.0087 8862 VAL 33 C -0.0084 -0.0006 -0.0074 8863 VAL 33 O -0.0091 0.0005 -0.0072 8864 VAL 33 CB -0.0107 -0.0008 -0.0090 8865 VAL 33 CG1 -0.0122 0.0009 -0.0091 8866 VAL 33 CG2 -0.0097 -0.0001 -0.0079 8867 VAL 33 H -0.0117 -0.0022 -0.0104 8868 VAL 33 HA -0.0085 -0.0031 -0.0087 8869 VAL 33 HB -0.0114 -0.0018 -0.0100 8870 VAL 33 HG11 -0.0130 0.0018 -0.0092 8871 VAL 33 HG12 -0.0115 0.0018 -0.0082 8872 VAL 33 HG13 -0.0131 0.0003 -0.0100 8873 VAL 33 HG21 -0.0106 0.0009 -0.0080 8874 VAL 33 HG22 -0.0089 -0.0013 -0.0080 8875 VAL 33 HG23 -0.0088 0.0007 -0.0069 8876 TYR 34 N -0.0068 -0.0008 -0.0063 8877 TYR 34 CA -0.0056 0.0004 -0.0049 8878 TYR 34 C -0.0044 0.0008 -0.0039 8879 TYR 34 O -0.0040 -0.0004 -0.0042 8880 TYR 34 CB -0.0045 -0.0007 -0.0047 8881 TYR 34 CG -0.0033 -0.0027 -0.0050 8882 TYR 34 CD1 -0.0016 -0.0029 -0.0039 8883 TYR 34 CD2 -0.0039 -0.0043 -0.0062 8884 TYR 34 CE1 -0.0005 -0.0047 -0.0041 8885 TYR 34 CE2 -0.0029 -0.0062 -0.0064 8886 TYR 34 CZ -0.0011 -0.0064 -0.0054 8887 TYR 34 OH -0.0000 -0.0082 -0.0056 8888 TYR 34 H -0.0063 -0.0017 -0.0065 8889 TYR 34 HA -0.0065 0.0018 -0.0048 8890 TYR 34 HB2 -0.0036 0.0002 -0.0037 8891 TYR 34 HB3 -0.0054 -0.0008 -0.0054 8892 TYR 34 HD1 -0.0011 -0.0016 -0.0029 8893 TYR 34 HD2 -0.0053 -0.0042 -0.0071 8894 TYR 34 HE1 0.0009 -0.0049 -0.0033 8895 TYR 34 HE2 -0.0034 -0.0074 -0.0074 8896 TYR 34 HH -0.0006 -0.0088 -0.0063 8897 THR 35 N -0.0037 0.0023 -0.0027 8898 THR 35 CA -0.0025 0.0028 -0.0016 8899 THR 35 C -0.0005 0.0022 -0.0005 8900 THR 35 O -0.0002 0.0028 -0.0000 8901 THR 35 CB -0.0030 0.0050 -0.0008 8902 THR 35 OG1 -0.0048 0.0059 -0.0015 8903 THR 35 CG2 -0.0032 0.0052 -0.0008 8904 THR 35 H -0.0041 0.0032 -0.0025 8905 THR 35 HA -0.0025 0.0019 -0.0021 8906 THR 35 HB -0.0020 0.0056 0.0002 8907 THR 35 HG1 -0.0049 0.0073 -0.0009 8908 THR 35 HG21 -0.0041 0.0045 -0.0018 8909 THR 35 HG22 -0.0018 0.0046 -0.0002 8910 THR 35 HG23 -0.0036 0.0068 -0.0003 8911 VAL 36 N 0.0007 0.0011 -0.0003 8912 VAL 36 CA 0.0026 0.0005 0.0007 8913 VAL 36 C 0.0036 0.0020 0.0022 8914 VAL 36 O 0.0040 0.0023 0.0026 8915 VAL 36 CB 0.0036 -0.0015 0.0004 8916 VAL 36 CG1 0.0053 -0.0024 0.0010 8917 VAL 36 CG2 0.0023 -0.0028 -0.0012 8918 VAL 36 H 0.0003 0.0008 -0.0007 8919 VAL 36 HA 0.0026 0.0003 0.0006 8920 VAL 36 HB 0.0040 -0.0012 0.0008 8921 VAL 36 HG11 0.0062 -0.0014 0.0021 8922 VAL 36 HG12 0.0060 -0.0038 0.0008 8923 VAL 36 HG13 0.0049 -0.0028 0.0006 8924 VAL 36 HG21 0.0012 -0.0022 -0.0016 8925 VAL 36 HG22 0.0018 -0.0030 -0.0017 8926 VAL 36 HG23 0.0031 -0.0042 -0.0014 8927 HIS 37 N 0.0040 0.0010 0.0016 8928 HIS 37 CA 0.0037 0.0007 0.0017 8929 HIS 37 C 0.0036 0.0007 0.0017 8930 HIS 37 O 0.0037 0.0008 0.0017 8931 HIS 37 CB 0.0039 0.0004 0.0018 8932 HIS 37 CG 0.0040 0.0004 0.0018 8933 HIS 37 ND1 0.0038 0.0006 0.0017 8934 HIS 37 CD2 0.0042 0.0003 0.0018 8935 HIS 37 CE1 0.0040 0.0005 0.0018 8936 HIS 37 NE2 0.0042 0.0004 0.0018 8937 HIS 37 H 0.0042 0.0009 0.0017 8938 HIS 37 HA 0.0036 0.0008 0.0017 8939 HIS 37 HB2 0.0040 0.0004 0.0018 8940 HIS 37 HB3 0.0037 0.0003 0.0018 8941 HIS 37 HD2 0.0044 0.0002 0.0019 8942 HIS 37 HE1 0.0039 0.0006 0.0017 8943 HIS 37 HE2 0.0044 0.0004 0.0018 8944 HIS 38 N 0.0034 0.0005 0.0017 8945 HIS 38 CA 0.0032 0.0004 0.0017 8946 HIS 38 C 0.0031 0.0001 0.0018 8947 HIS 38 O 0.0030 -0.0000 0.0018 8948 HIS 38 CB 0.0029 0.0007 0.0017 8949 HIS 38 CG 0.0030 0.0010 0.0016 8950 HIS 38 ND1 0.0031 0.0011 0.0016 8951 HIS 38 CD2 0.0030 0.0012 0.0015 8952 HIS 38 CE1 0.0032 0.0014 0.0015 8953 HIS 38 NE2 0.0031 0.0014 0.0015 8954 HIS 38 H 0.0033 0.0004 0.0017 8955 HIS 38 HA 0.0033 0.0005 0.0017 8956 HIS 38 HB2 0.0028 0.0006 0.0016 8957 HIS 38 HB3 0.0028 0.0006 0.0017 8958 HIS 38 HD2 0.0028 0.0012 0.0015 8959 HIS 38 HE1 0.0033 0.0015 0.0015 8960 HIS 38 HE2 0.0031 0.0016 0.0014 8961 MET 39 N 0.0030 0.0000 0.0018 8962 MET 39 CA 0.0029 -0.0003 0.0019 8963 MET 39 C 0.0027 -0.0003 0.0019 8964 MET 39 O 0.0028 -0.0002 0.0019 8965 MET 39 CB 0.0032 -0.0005 0.0020 8966 MET 39 CG 0.0034 -0.0005 0.0020 8967 MET 39 SD 0.0037 -0.0008 0.0021 8968 MET 39 CE 0.0039 -0.0007 0.0021 8969 MET 39 H 0.0031 0.0001 0.0018 8970 MET 39 HA 0.0028 -0.0004 0.0019 8971 MET 39 HB2 0.0033 -0.0005 0.0020 8972 MET 39 HB3 0.0031 -0.0007 0.0020 8973 MET 39 HG2 0.0033 -0.0005 0.0020 8974 MET 39 HG3 0.0035 -0.0003 0.0019 8975 MET 39 HE1 0.0041 -0.0008 0.0021 8976 MET 39 HE2 0.0037 -0.0008 0.0021 8977 MET 39 HE3 0.0039 -0.0005 0.0020 8978 VAL 40 N 0.0025 -0.0005 0.0019 8979 VAL 40 CA 0.0023 -0.0006 0.0019 8980 VAL 40 C 0.0025 -0.0008 0.0020 8981 VAL 40 O 0.0026 -0.0010 0.0021 8982 VAL 40 CB 0.0020 -0.0008 0.0020 8983 VAL 40 CG1 0.0021 -0.0010 0.0020 8984 VAL 40 CG2 0.0018 -0.0009 0.0020 8985 VAL 40 H 0.0025 -0.0007 0.0020 8986 VAL 40 HA 0.0023 -0.0004 0.0019 8987 VAL 40 HB 0.0019 -0.0006 0.0019 8988 VAL 40 HG11 0.0019 -0.0012 0.0020 8989 VAL 40 HG12 0.0023 -0.0012 0.0021 8990 VAL 40 HG13 0.0022 -0.0010 0.0020 8991 VAL 40 HG21 0.0019 -0.0007 0.0019 8992 VAL 40 HG22 0.0019 -0.0011 0.0020 8993 VAL 40 HG23 0.0016 -0.0009 0.0020 8994 TRP 41 N 0.0026 -0.0006 0.0020 8995 TRP 41 CA 0.0028 -0.0007 0.0020 8996 TRP 41 C 0.0026 -0.0010 0.0020 8997 TRP 41 O 0.0027 -0.0012 0.0021 8998 TRP 41 CB 0.0029 -0.0005 0.0019 8999 TRP 41 CG 0.0032 -0.0005 0.0020 9000 TRP 41 CD1 0.0033 -0.0005 0.0020 9001 TRP 41 CD2 0.0035 -0.0006 0.0020 9002 TRP 41 NE1 0.0036 -0.0006 0.0020 9003 TRP 41 CE2 0.0037 -0.0006 0.0020 9004 TRP 41 CE3 0.0035 -0.0006 0.0020 9005 TRP 41 CZ2 0.0040 -0.0006 0.0021 9006 TRP 41 CZ3 0.0038 -0.0006 0.0020 9007 TRP 41 CH2 0.0041 -0.0006 0.0021 9008 TRP 41 H 0.0025 -0.0004 0.0019 9009 TRP 41 HA 0.0030 -0.0008 0.0020 9010 TRP 41 HB2 0.0029 -0.0003 0.0019 9011 TRP 41 HB3 0.0027 -0.0005 0.0019 9012 TRP 41 HD1 0.0031 -0.0005 0.0020 9013 TRP 41 HE1 0.0037 -0.0006 0.0020 9014 TRP 41 HE3 0.0034 -0.0005 0.0020 9015 TRP 41 HZ2 0.0042 -0.0007 0.0021 9016 TRP 41 HZ3 0.0039 -0.0006 0.0020 9017 TRP 41 HH2 0.0043 -0.0007 0.0021 9018 HIS 42 N 0.0023 -0.0009 0.0020 9019 HIS 42 CA 0.0021 -0.0011 0.0020 9020 HIS 42 C 0.0018 -0.0010 0.0020 9021 HIS 42 O 0.0017 -0.0007 0.0019 9022 HIS 42 CB 0.0021 -0.0010 0.0020 9023 HIS 42 CG 0.0021 -0.0013 0.0021 9024 HIS 42 ND1 0.0023 -0.0014 0.0021 9025 HIS 42 CD2 0.0018 -0.0014 0.0021 9026 HIS 42 CE1 0.0022 -0.0016 0.0022 9027 HIS 42 NE2 0.0019 -0.0016 0.0022 9028 HIS 42 H 0.0022 -0.0007 0.0019 9029 HIS 42 HA 0.0021 -0.0013 0.0021 9030 HIS 42 HB2 0.0024 -0.0009 0.0020 9031 HIS 42 HB3 0.0020 -0.0008 0.0020 9032 HIS 42 HD2 0.0016 -0.0013 0.0021 9033 HIS 42 HE1 0.0023 -0.0018 0.0022 9034 HIS 42 HE2 0.0017 -0.0018 0.0022 9035 VAL 43 N 0.0010 -0.0024 0.0005 9036 VAL 43 CA 0.0002 -0.0025 0.0000 9037 VAL 43 C -0.0006 -0.0029 -0.0006 9038 VAL 43 O -0.0005 -0.0037 -0.0008 9039 VAL 43 CB 0.0006 -0.0032 0.0000 9040 VAL 43 CG1 0.0011 -0.0043 0.0000 9041 VAL 43 CG2 -0.0002 -0.0034 -0.0005 9042 VAL 43 H 0.0012 -0.0030 0.0005 9043 VAL 43 HA 0.0000 -0.0017 0.0001 9044 VAL 43 HB 0.0012 -0.0028 0.0005 9045 VAL 43 HG11 0.0017 -0.0042 0.0004 9046 VAL 43 HG12 0.0013 -0.0048 0.0000 9047 VAL 43 HG13 0.0006 -0.0047 -0.0004 9048 VAL 43 HG21 -0.0005 -0.0026 -0.0004 9049 VAL 43 HG22 -0.0007 -0.0037 -0.0009 9050 VAL 43 HG23 0.0001 -0.0039 -0.0004 9051 GLU 44 N -0.0014 -0.0022 -0.0009 9052 GLU 44 CA -0.0023 -0.0024 -0.0015 9053 GLU 44 C -0.0027 -0.0034 -0.0020 9054 GLU 44 O -0.0028 -0.0035 -0.0021 9055 GLU 44 CB -0.0031 -0.0014 -0.0016 9056 GLU 44 CG -0.0031 -0.0006 -0.0014 9057 GLU 44 CD -0.0035 0.0005 -0.0014 9058 GLU 44 OE1 -0.0044 0.0007 -0.0018 9059 GLU 44 OE2 -0.0030 0.0012 -0.0008 9060 GLU 44 H -0.0014 -0.0016 -0.0007 9061 GLU 44 HA -0.0023 -0.0026 -0.0015 9062 GLU 44 HB2 -0.0029 -0.0011 -0.0014 9063 GLU 44 HB3 -0.0038 -0.0017 -0.0021 9064 GLU 44 HG2 -0.0036 -0.0009 -0.0018 9065 GLU 44 HG3 -0.0024 -0.0006 -0.0010 9066 ASP 45 N -0.0028 -0.0042 -0.0023 9067 ASP 45 CA -0.0032 -0.0052 -0.0028 9068 ASP 45 C -0.0043 -0.0051 -0.0034 9069 ASP 45 O -0.0047 -0.0058 -0.0039 9070 ASP 45 CB -0.0028 -0.0061 -0.0028 9071 ASP 45 CG -0.0032 -0.0058 -0.0030 9072 ASP 45 OD1 -0.0030 -0.0050 -0.0026 9073 ASP 45 OD2 -0.0037 -0.0064 -0.0034 9074 ASP 45 H -0.0027 -0.0041 -0.0022 9075 ASP 45 HA -0.0029 -0.0054 -0.0026 9076 ASP 45 HB2 -0.0031 -0.0068 -0.0032 9077 ASP 45 HB3 -0.0020 -0.0062 -0.0024 9078 GLY 46 N -0.0047 -0.0041 -0.0033 9079 GLY 46 CA -0.0057 -0.0038 -0.0039 9080 GLY 46 C -0.0061 -0.0040 -0.0042 9081 GLY 46 O -0.0070 -0.0041 -0.0047 9082 GLY 46 H -0.0043 -0.0035 -0.0029 9083 GLY 46 HA2 -0.0060 -0.0043 -0.0042 9084 GLY 46 HA3 -0.0060 -0.0030 -0.0038 9085 GLY 47 N -0.0055 -0.0040 -0.0038 9086 GLY 47 CA -0.0058 -0.0042 -0.0041 9087 GLY 47 C -0.0052 -0.0040 -0.0036 9088 GLY 47 O -0.0050 -0.0046 -0.0037 9089 GLY 47 H -0.0048 -0.0039 -0.0034 9090 GLY 47 HA2 -0.0060 -0.0050 -0.0044 9091 GLY 47 HA3 -0.0065 -0.0036 -0.0043 9092 PRO 48 N -0.0048 -0.0030 -0.0031 9093 PRO 48 CA -0.0041 -0.0027 -0.0026 9094 PRO 48 C -0.0032 -0.0035 -0.0023 9095 PRO 48 O -0.0031 -0.0045 -0.0026 9096 PRO 48 CB -0.0039 -0.0016 -0.0022 9097 PRO 48 CG -0.0047 -0.0012 -0.0025 9098 PRO 48 CD -0.0050 -0.0021 -0.0030 9099 PRO 48 HA -0.0045 -0.0026 -0.0028 9100 PRO 48 HB2 -0.0032 -0.0018 -0.0018 9101 PRO 48 HB3 -0.0038 -0.0011 -0.0020 9102 PRO 48 HG2 -0.0045 -0.0006 -0.0023 9103 PRO 48 HG3 -0.0053 -0.0009 -0.0028 9104 PRO 48 HD2 -0.0045 -0.0023 -0.0027 9105 PRO 48 HD3 -0.0057 -0.0020 -0.0034 9106 ALA 49 N -0.0023 -0.0022 -0.0018 9107 ALA 49 CA -0.0014 -0.0027 -0.0015 9108 ALA 49 C -0.0012 -0.0037 -0.0018 9109 ALA 49 O -0.0007 -0.0043 -0.0018 9110 ALA 49 CB -0.0008 -0.0021 -0.0009 9111 ALA 49 H -0.0024 -0.0015 -0.0016 9112 ALA 49 HA -0.0013 -0.0028 -0.0015 9113 ALA 49 HB1 -0.0003 -0.0020 -0.0006 9114 ALA 49 HB2 -0.0004 -0.0024 -0.0008 9115 ALA 49 HB3 -0.0011 -0.0014 -0.0008 9116 SER 50 N -0.0015 -0.0037 -0.0020 9117 SER 50 CA -0.0013 -0.0046 -0.0022 9118 SER 50 C -0.0017 -0.0054 -0.0028 9119 SER 50 O -0.0011 -0.0062 -0.0027 9120 SER 50 CB -0.0017 -0.0045 -0.0024 9121 SER 50 OG -0.0011 -0.0044 -0.0020 9122 SER 50 H -0.0019 -0.0032 -0.0020 9123 SER 50 HA -0.0006 -0.0048 -0.0019 9124 SER 50 HB2 -0.0022 -0.0039 -0.0025 9125 SER 50 HB3 -0.0020 -0.0051 -0.0028 9126 SER 50 HG -0.0005 -0.0046 -0.0018 9127 GLU 51 N -0.0025 -0.0053 -0.0032 9128 GLU 51 CA -0.0029 -0.0060 -0.0037 9129 GLU 51 C -0.0026 -0.0062 -0.0036 9130 GLU 51 O -0.0026 -0.0069 -0.0039 9131 GLU 51 CB -0.0039 -0.0057 -0.0042 9132 GLU 51 CG -0.0043 -0.0055 -0.0043 9133 GLU 51 CD -0.0051 -0.0059 -0.0049 9134 GLU 51 OE1 -0.0058 -0.0056 -0.0052 9135 GLU 51 OE2 -0.0049 -0.0067 -0.0051 9136 GLU 51 H -0.0029 -0.0047 -0.0032 9137 GLU 51 HA -0.0027 -0.0067 -0.0039 9138 GLU 51 HB2 -0.0041 -0.0051 -0.0040 9139 GLU 51 HB3 -0.0042 -0.0063 -0.0046 9140 GLU 51 HG2 -0.0038 -0.0057 -0.0041 9141 GLU 51 HG3 -0.0045 -0.0047 -0.0041 9142 ALA 52 N -0.0023 -0.0055 -0.0031 9143 ALA 52 CA -0.0019 -0.0055 -0.0029 9144 ALA 52 C -0.0010 -0.0062 -0.0027 9145 ALA 52 O -0.0007 -0.0066 -0.0027 9146 ALA 52 CB -0.0018 -0.0046 -0.0025 9147 ALA 52 H -0.0023 -0.0049 -0.0029 9148 ALA 52 HA -0.0024 -0.0058 -0.0033 9149 ALA 52 HB1 -0.0011 -0.0044 -0.0021 9150 ALA 52 HB2 -0.0023 -0.0040 -0.0025 9151 ALA 52 HB3 -0.0019 -0.0045 -0.0025 9152 GLY 53 N -0.0006 -0.0063 -0.0025 9153 GLY 53 CA 0.0003 -0.0070 -0.0023 9154 GLY 53 C 0.0010 -0.0066 -0.0017 9155 GLY 53 O 0.0017 -0.0071 -0.0015 9156 GLY 53 H -0.0008 -0.0060 -0.0025 9157 GLY 53 HA2 0.0002 -0.0076 -0.0026 9158 GLY 53 HA3 0.0005 -0.0072 -0.0022 9159 LEU 54 N 0.0008 -0.0057 -0.0014 9160 LEU 54 CA 0.0014 -0.0052 -0.0009 9161 LEU 54 C 0.0015 -0.0055 -0.0010 9162 LEU 54 O 0.0009 -0.0053 -0.0012 9163 LEU 54 CB 0.0012 -0.0041 -0.0006 9164 LEU 54 CG 0.0020 -0.0036 0.0001 9165 LEU 54 CD1 0.0016 -0.0025 0.0003 9166 LEU 54 CD2 0.0025 -0.0038 0.0003 9167 LEU 54 H 0.0002 -0.0053 -0.0016 9168 LEU 54 HA 0.0021 -0.0054 -0.0006 9169 LEU 54 HB2 0.0008 -0.0039 -0.0007 9170 LEU 54 HB3 0.0008 -0.0039 -0.0007 9171 LEU 54 HG 0.0024 -0.0038 0.0002 9172 LEU 54 HD11 0.0013 -0.0023 0.0002 9173 LEU 54 HD12 0.0022 -0.0022 0.0008 9174 LEU 54 HD13 0.0012 -0.0023 0.0001 9175 LEU 54 HD21 0.0022 -0.0035 0.0002 9176 LEU 54 HD22 0.0031 -0.0035 0.0007 9177 LEU 54 HD23 0.0027 -0.0046 0.0001 9178 ARG 55 N 0.0019 -0.0026 0.0019 9179 ARG 55 CA 0.0019 -0.0027 0.0018 9180 ARG 55 C 0.0020 -0.0027 0.0017 9181 ARG 55 O 0.0021 -0.0026 0.0017 9182 ARG 55 CB 0.0020 -0.0027 0.0017 9183 ARG 55 CG 0.0021 -0.0026 0.0017 9184 ARG 55 CD 0.0022 -0.0027 0.0016 9185 ARG 55 NE 0.0022 -0.0028 0.0015 9186 ARG 55 CZ 0.0024 -0.0028 0.0014 9187 ARG 55 NH1 0.0024 -0.0027 0.0014 9188 ARG 55 NH2 0.0024 -0.0030 0.0014 9189 ARG 55 H 0.0019 -0.0025 0.0018 9190 ARG 55 HA 0.0018 -0.0028 0.0018 9191 ARG 55 HB2 0.0020 -0.0028 0.0017 9192 ARG 55 HB3 0.0019 -0.0028 0.0017 9193 ARG 55 HG2 0.0021 -0.0026 0.0017 9194 ARG 55 HG3 0.0021 -0.0025 0.0017 9195 ARG 55 HD2 0.0023 -0.0026 0.0016 9196 ARG 55 HD3 0.0022 -0.0027 0.0016 9197 ARG 55 HE 0.0022 -0.0029 0.0015 9198 ARG 55 HH11 0.0024 -0.0026 0.0014 9199 ARG 55 HH12 0.0025 -0.0027 0.0013 9200 ARG 55 HH21 0.0023 -0.0030 0.0014 9201 ARG 55 HH22 0.0025 -0.0030 0.0013 9202 GLN 56 N 0.0019 -0.0028 0.0017 9203 GLN 56 CA 0.0020 -0.0028 0.0017 9204 GLN 56 C 0.0021 -0.0028 0.0016 9205 GLN 56 O 0.0022 -0.0029 0.0016 9206 GLN 56 CB 0.0019 -0.0029 0.0017 9207 GLN 56 CG 0.0019 -0.0029 0.0017 9208 GLN 56 CD 0.0018 -0.0030 0.0017 9209 GLN 56 OE1 0.0017 -0.0031 0.0018 9210 GLN 56 NE2 0.0019 -0.0031 0.0017 9211 GLN 56 H 0.0018 -0.0029 0.0018 9212 GLN 56 HA 0.0020 -0.0027 0.0017 9213 GLN 56 HB2 0.0018 -0.0029 0.0018 9214 GLN 56 HB3 0.0019 -0.0030 0.0017 9215 GLN 56 HG2 0.0020 -0.0030 0.0016 9216 GLN 56 HG3 0.0019 -0.0028 0.0017 9217 GLN 56 HE21 0.0020 -0.0031 0.0016 9218 GLN 56 HE22 0.0018 -0.0032 0.0017 9219 GLY 57 N 0.0022 -0.0027 0.0016 9220 GLY 57 CA 0.0023 -0.0027 0.0015 9221 GLY 57 C 0.0024 -0.0026 0.0015 9222 GLY 57 O 0.0025 -0.0026 0.0014 9223 GLY 57 H 0.0021 -0.0027 0.0016 9224 GLY 57 HA2 0.0023 -0.0027 0.0015 9225 GLY 57 HA3 0.0023 -0.0028 0.0014 9226 ASP 58 N 0.0023 -0.0025 0.0016 9227 ASP 58 CA 0.0024 -0.0024 0.0016 9228 ASP 58 C 0.0024 -0.0022 0.0016 9229 ASP 58 O 0.0024 -0.0022 0.0016 9230 ASP 58 CB 0.0023 -0.0023 0.0016 9231 ASP 58 CG 0.0023 -0.0023 0.0016 9232 ASP 58 OD1 0.0025 -0.0022 0.0016 9233 ASP 58 OD2 0.0023 -0.0023 0.0017 9234 ASP 58 H 0.0022 -0.0025 0.0016 9235 ASP 58 HA 0.0025 -0.0024 0.0015 9236 ASP 58 HB2 0.0022 -0.0024 0.0017 9237 ASP 58 HB3 0.0022 -0.0022 0.0017 9238 LEU 59 N 0.0025 -0.0022 0.0015 9239 LEU 59 CA 0.0026 -0.0020 0.0015 9240 LEU 59 C 0.0025 -0.0019 0.0016 9241 LEU 59 O 0.0025 -0.0019 0.0016 9242 LEU 59 CB 0.0027 -0.0020 0.0014 9243 LEU 59 CG 0.0028 -0.0019 0.0014 9244 LEU 59 CD1 0.0028 -0.0018 0.0014 9245 LEU 59 CD2 0.0029 -0.0018 0.0014 9246 LEU 59 H 0.0026 -0.0022 0.0015 9247 LEU 59 HA 0.0026 -0.0021 0.0015 9248 LEU 59 HB2 0.0028 -0.0021 0.0014 9249 LEU 59 HB3 0.0028 -0.0020 0.0014 9250 LEU 59 HG 0.0027 -0.0018 0.0015 9251 LEU 59 HD11 0.0027 -0.0018 0.0015 9252 LEU 59 HD12 0.0029 -0.0017 0.0014 9253 LEU 59 HD13 0.0029 -0.0019 0.0014 9254 LEU 59 HD21 0.0030 -0.0019 0.0013 9255 LEU 59 HD22 0.0030 -0.0017 0.0014 9256 LEU 59 HD23 0.0029 -0.0018 0.0014 9257 ILE 60 N 0.0025 -0.0018 0.0017 9258 ILE 60 CA 0.0024 -0.0017 0.0017 9259 ILE 60 C 0.0026 -0.0016 0.0017 9260 ILE 60 O 0.0026 -0.0015 0.0017 9261 ILE 60 CB 0.0023 -0.0017 0.0018 9262 ILE 60 CG1 0.0022 -0.0018 0.0019 9263 ILE 60 CG2 0.0023 -0.0015 0.0019 9264 ILE 60 CD1 0.0022 -0.0019 0.0018 9265 ILE 60 H 0.0025 -0.0018 0.0016 9266 ILE 60 HA 0.0024 -0.0017 0.0018 9267 ILE 60 HB 0.0024 -0.0017 0.0018 9268 ILE 60 HG12 0.0022 -0.0017 0.0019 9269 ILE 60 HG13 0.0022 -0.0018 0.0019 9270 ILE 60 HG21 0.0022 -0.0015 0.0019 9271 ILE 60 HG22 0.0023 -0.0015 0.0019 9272 ILE 60 HG23 0.0024 -0.0014 0.0019 9273 ILE 60 HD11 0.0023 -0.0019 0.0018 9274 ILE 60 HD12 0.0023 -0.0020 0.0017 9275 ILE 60 HD13 0.0022 -0.0020 0.0018 9276 THR 61 N 0.0038 -0.0019 0.0028 9277 THR 61 CA 0.0042 -0.0020 0.0031 9278 THR 61 C 0.0040 -0.0017 0.0030 9279 THR 61 O 0.0042 -0.0015 0.0033 9280 THR 61 CB 0.0044 -0.0026 0.0031 9281 THR 61 OG1 0.0041 -0.0029 0.0027 9282 THR 61 CG2 0.0045 -0.0028 0.0031 9283 THR 61 H 0.0036 -0.0022 0.0025 9284 THR 61 HA 0.0044 -0.0018 0.0034 9285 THR 61 HB 0.0047 -0.0026 0.0033 9286 THR 61 HG1 0.0041 -0.0028 0.0027 9287 THR 61 HG21 0.0043 -0.0029 0.0029 9288 THR 61 HG22 0.0047 -0.0026 0.0034 9289 THR 61 HG23 0.0047 -0.0033 0.0031 9290 HIS 62 N 0.0036 -0.0018 0.0026 9291 HIS 62 CA 0.0034 -0.0016 0.0025 9292 HIS 62 C 0.0029 -0.0014 0.0021 9293 HIS 62 O 0.0028 -0.0015 0.0019 9294 HIS 62 CB 0.0035 -0.0021 0.0024 9295 HIS 62 CG 0.0039 -0.0023 0.0027 9296 HIS 62 ND1 0.0042 -0.0028 0.0028 9297 HIS 62 CD2 0.0042 -0.0022 0.0030 9298 HIS 62 CE1 0.0045 -0.0029 0.0031 9299 HIS 62 NE2 0.0046 -0.0026 0.0033 9300 HIS 62 H 0.0035 -0.0020 0.0024 9301 HIS 62 HA 0.0036 -0.0013 0.0027 9302 HIS 62 HB2 0.0034 -0.0024 0.0021 9303 HIS 62 HB3 0.0033 -0.0019 0.0023 9304 HIS 62 HD2 0.0041 -0.0018 0.0031 9305 HIS 62 HE1 0.0048 -0.0033 0.0032 9306 HIS 62 HE2 0.0048 -0.0026 0.0035 9307 VAL 63 N 0.0028 -0.0010 0.0021 9308 VAL 63 CA 0.0023 -0.0008 0.0017 9309 VAL 63 C 0.0021 -0.0007 0.0016 9310 VAL 63 O 0.0023 -0.0005 0.0018 9311 VAL 63 CB 0.0022 -0.0002 0.0018 9312 VAL 63 CG1 0.0024 0.0002 0.0022 9313 VAL 63 CG2 0.0017 -0.0001 0.0014 9314 VAL 63 H 0.0029 -0.0009 0.0023 9315 VAL 63 HA 0.0022 -0.0011 0.0015 9316 VAL 63 HB 0.0023 -0.0003 0.0019 9317 VAL 63 HG11 0.0027 0.0000 0.0024 9318 VAL 63 HG12 0.0023 0.0006 0.0022 9319 VAL 63 HG13 0.0022 0.0003 0.0021 9320 VAL 63 HG21 0.0016 0.0004 0.0015 9321 VAL 63 HG22 0.0016 -0.0002 0.0013 9322 VAL 63 HG23 0.0016 -0.0002 0.0012 9323 ASN 64 N 0.0018 -0.0010 0.0012 9324 ASN 64 CA 0.0017 -0.0010 0.0010 9325 ASN 64 C 0.0020 -0.0012 0.0013 9326 ASN 64 O 0.0020 -0.0010 0.0013 9327 ASN 64 CB 0.0014 -0.0004 0.0010 9328 ASN 64 CG 0.0011 -0.0004 0.0007 9329 ASN 64 OD1 0.0011 -0.0007 0.0005 9330 ASN 64 ND2 0.0008 0.0001 0.0005 9331 ASN 64 H 0.0017 -0.0012 0.0010 9332 ASN 64 HA 0.0014 -0.0012 0.0007 9333 ASN 64 HB2 0.0013 -0.0002 0.0010 9334 ASN 64 HB3 0.0016 -0.0002 0.0013 9335 ASN 64 HD21 0.0008 0.0004 0.0007 9336 ASN 64 HD22 0.0005 0.0001 0.0003 9337 GLY 65 N 0.0023 -0.0015 0.0015 9338 GLY 65 CA 0.0027 -0.0017 0.0017 9339 GLY 65 C 0.0029 -0.0013 0.0021 9340 GLY 65 O 0.0031 -0.0013 0.0023 9341 GLY 65 H 0.0024 -0.0017 0.0015 9342 GLY 65 HA2 0.0029 -0.0021 0.0018 9343 GLY 65 HA3 0.0026 -0.0019 0.0016 9344 GLU 66 N 0.0030 -0.0010 0.0023 9345 GLU 66 CA 0.0032 -0.0006 0.0027 9346 GLU 66 C 0.0035 -0.0006 0.0029 9347 GLU 66 O 0.0033 -0.0004 0.0028 9348 GLU 66 CB 0.0029 -0.0001 0.0026 9349 GLU 66 CG 0.0031 0.0003 0.0029 9350 GLU 66 CD 0.0033 0.0001 0.0030 9351 GLU 66 OE1 0.0037 -0.0002 0.0033 9352 GLU 66 OE2 0.0031 0.0003 0.0029 9353 GLU 66 H 0.0029 -0.0011 0.0022 9354 GLU 66 HA 0.0035 -0.0007 0.0029 9355 GLU 66 HB2 0.0027 -0.0002 0.0023 9356 GLU 66 HB3 0.0028 0.0001 0.0026 9357 GLU 66 HG2 0.0029 0.0007 0.0028 9358 GLU 66 HG3 0.0034 0.0004 0.0032 9359 PRO 67 N 0.0041 0.0005 0.0023 9360 PRO 67 CA 0.0043 0.0004 0.0023 9361 PRO 67 C 0.0042 0.0005 0.0023 9362 PRO 67 O 0.0042 0.0008 0.0024 9363 PRO 67 CB 0.0045 0.0005 0.0024 9364 PRO 67 CG 0.0045 0.0005 0.0024 9365 PRO 67 CD 0.0042 0.0005 0.0023 9366 PRO 67 HA 0.0042 0.0002 0.0022 9367 PRO 67 HB2 0.0046 0.0007 0.0024 9368 PRO 67 HB3 0.0047 0.0003 0.0023 9369 PRO 67 HG2 0.0046 0.0007 0.0024 9370 PRO 67 HG3 0.0046 0.0003 0.0023 9371 PRO 67 HD2 0.0042 0.0007 0.0024 9372 PRO 67 HD3 0.0042 0.0004 0.0023 9373 VAL 68 N 0.0041 0.0004 0.0023 9374 VAL 68 CA 0.0041 0.0005 0.0023 9375 VAL 68 C 0.0043 0.0005 0.0023 9376 VAL 68 O 0.0043 0.0007 0.0024 9377 VAL 68 CB 0.0039 0.0003 0.0022 9378 VAL 68 CG1 0.0036 0.0002 0.0021 9379 VAL 68 CG2 0.0041 0.0000 0.0021 9380 VAL 68 H 0.0042 0.0002 0.0022 9381 VAL 68 HA 0.0039 0.0007 0.0023 9382 VAL 68 HB 0.0038 0.0004 0.0022 9383 VAL 68 HG11 0.0037 0.0002 0.0021 9384 VAL 68 HG12 0.0035 0.0004 0.0021 9385 VAL 68 HG13 0.0035 0.0001 0.0020 9386 VAL 68 HG21 0.0043 0.0001 0.0022 9387 VAL 68 HG22 0.0041 -0.0000 0.0021 9388 VAL 68 HG23 0.0040 -0.0001 0.0020 9389 HIS 69 N 0.0045 0.0005 0.0023 9390 HIS 69 CA 0.0048 0.0005 0.0024 9391 HIS 69 C 0.0048 0.0008 0.0025 9392 HIS 69 O 0.0049 0.0009 0.0026 9393 HIS 69 CB 0.0050 0.0004 0.0024 9394 HIS 69 CG 0.0050 0.0001 0.0023 9395 HIS 69 ND1 0.0052 -0.0000 0.0023 9396 HIS 69 CD2 0.0048 -0.0001 0.0022 9397 HIS 69 CE1 0.0052 -0.0003 0.0022 9398 HIS 69 NE2 0.0050 -0.0003 0.0021 9399 HIS 69 H 0.0045 0.0004 0.0023 9400 HIS 69 HA 0.0048 0.0004 0.0024 9401 HIS 69 HB2 0.0049 0.0004 0.0024 9402 HIS 69 HB3 0.0052 0.0004 0.0025 9403 HIS 69 HD2 0.0046 -0.0000 0.0022 9404 HIS 69 HE1 0.0054 -0.0004 0.0021 9405 HIS 69 HE2 0.0049 -0.0005 0.0020 9406 GLY 70 N 0.0048 0.0008 0.0026 9407 GLY 70 CA 0.0048 0.0011 0.0027 9408 GLY 70 C 0.0046 0.0013 0.0027 9409 GLY 70 O 0.0046 0.0015 0.0028 9410 GLY 70 H 0.0048 0.0007 0.0025 9411 GLY 70 HA2 0.0050 0.0011 0.0027 9412 GLY 70 HA3 0.0049 0.0012 0.0027 9413 LEU 71 N 0.0044 0.0012 0.0026 9414 LEU 71 CA 0.0041 0.0013 0.0026 9415 LEU 71 C 0.0040 0.0013 0.0026 9416 LEU 71 O 0.0041 0.0011 0.0025 9417 LEU 71 CB 0.0039 0.0012 0.0025 9418 LEU 71 CG 0.0039 0.0012 0.0025 9419 LEU 71 CD1 0.0036 0.0011 0.0024 9420 LEU 71 CD2 0.0039 0.0015 0.0026 9421 LEU 71 H 0.0044 0.0010 0.0025 9422 LEU 71 HA 0.0041 0.0015 0.0027 9423 LEU 71 HB2 0.0039 0.0010 0.0024 9424 LEU 71 HB3 0.0037 0.0012 0.0025 9425 LEU 71 HG 0.0040 0.0011 0.0025 9426 LEU 71 HD11 0.0036 0.0009 0.0024 9427 LEU 71 HD12 0.0036 0.0011 0.0025 9428 LEU 71 HD13 0.0034 0.0012 0.0025 9429 LEU 71 HD21 0.0041 0.0015 0.0027 9430 LEU 71 HD22 0.0037 0.0016 0.0027 9431 LEU 71 HD23 0.0039 0.0015 0.0026 9432 VAL 72 N 0.0039 0.0015 0.0026 9433 VAL 72 CA 0.0038 0.0015 0.0026 9434 VAL 72 C 0.0036 0.0013 0.0025 9435 VAL 72 O 0.0035 0.0012 0.0025 9436 VAL 72 CB 0.0038 0.0017 0.0027 9437 VAL 72 CG1 0.0035 0.0018 0.0027 9438 VAL 72 CG2 0.0039 0.0018 0.0028 9439 VAL 72 H 0.0038 0.0016 0.0027 9440 VAL 72 HA 0.0040 0.0014 0.0026 9441 VAL 72 HB 0.0039 0.0019 0.0028 9442 VAL 72 HG11 0.0034 0.0017 0.0027 9443 VAL 72 HG12 0.0035 0.0020 0.0028 9444 VAL 72 HG13 0.0034 0.0017 0.0027 9445 VAL 72 HG21 0.0038 0.0016 0.0027 9446 VAL 72 HG22 0.0039 0.0020 0.0028 9447 VAL 72 HG23 0.0041 0.0017 0.0028 9448 HIS 73 N 0.0039 0.0024 0.0017 9449 HIS 73 CA 0.0035 0.0020 0.0016 9450 HIS 73 C 0.0029 0.0022 0.0016 9451 HIS 73 O 0.0026 0.0019 0.0016 9452 HIS 73 CB 0.0035 0.0020 0.0016 9453 HIS 73 CG 0.0033 0.0015 0.0015 9454 HIS 73 ND1 0.0036 0.0012 0.0015 9455 HIS 73 CD2 0.0028 0.0013 0.0015 9456 HIS 73 CE1 0.0033 0.0008 0.0014 9457 HIS 73 NE2 0.0028 0.0009 0.0014 9458 HIS 73 H 0.0042 0.0025 0.0018 9459 HIS 73 HA 0.0035 0.0017 0.0016 9460 HIS 73 HB2 0.0039 0.0021 0.0017 9461 HIS 73 HB3 0.0033 0.0023 0.0017 9462 HIS 73 HD1 0.0040 0.0012 0.0015 9463 HIS 73 HD2 0.0025 0.0015 0.0015 9464 HIS 73 HE1 0.0034 0.0005 0.0013 9465 THR 74 N 0.0028 0.0027 0.0017 9466 THR 74 CA 0.0023 0.0029 0.0018 9467 THR 74 C 0.0022 0.0030 0.0018 9468 THR 74 O 0.0018 0.0031 0.0018 9469 THR 74 CB 0.0022 0.0034 0.0018 9470 THR 74 OG1 0.0025 0.0038 0.0019 9471 THR 74 CG2 0.0023 0.0032 0.0018 9472 THR 74 H 0.0031 0.0029 0.0018 9473 THR 74 HA 0.0020 0.0026 0.0017 9474 THR 74 HB 0.0018 0.0035 0.0018 9475 THR 74 HG1 0.0027 0.0039 0.0020 9476 THR 74 HG21 0.0021 0.0029 0.0018 9477 THR 74 HG22 0.0023 0.0036 0.0019 9478 THR 74 HG23 0.0027 0.0031 0.0018 9479 GLU 75 N 0.0026 0.0031 0.0018 9480 GLU 75 CA 0.0026 0.0032 0.0018 9481 GLU 75 C 0.0024 0.0028 0.0017 9482 GLU 75 O 0.0021 0.0029 0.0017 9483 GLU 75 CB 0.0032 0.0033 0.0019 9484 GLU 75 CG 0.0033 0.0039 0.0020 9485 GLU 75 CD 0.0038 0.0040 0.0021 9486 GLU 75 OE1 0.0042 0.0039 0.0020 9487 GLU 75 OE2 0.0037 0.0043 0.0021 9488 GLU 75 H 0.0030 0.0030 0.0018 9489 GLU 75 HA 0.0024 0.0035 0.0019 9490 GLU 75 HB2 0.0034 0.0031 0.0018 9491 GLU 75 HB3 0.0032 0.0032 0.0019 9492 GLU 75 HG2 0.0030 0.0041 0.0020 9493 GLU 75 HG3 0.0034 0.0039 0.0020 9494 VAL 76 N 0.0025 0.0023 0.0016 9495 VAL 76 CA 0.0023 0.0019 0.0016 9496 VAL 76 C 0.0017 0.0018 0.0015 9497 VAL 76 O 0.0014 0.0018 0.0015 9498 VAL 76 CB 0.0026 0.0013 0.0015 9499 VAL 76 CG1 0.0031 0.0013 0.0015 9500 VAL 76 CG2 0.0026 0.0013 0.0014 9501 VAL 76 H 0.0028 0.0022 0.0016 9502 VAL 76 HA 0.0023 0.0019 0.0016 9503 VAL 76 HB 0.0023 0.0010 0.0014 9504 VAL 76 HG11 0.0033 0.0016 0.0015 9505 VAL 76 HG12 0.0030 0.0014 0.0015 9506 VAL 76 HG13 0.0032 0.0009 0.0014 9507 VAL 76 HG21 0.0023 0.0010 0.0014 9508 VAL 76 HG22 0.0026 0.0016 0.0015 9509 VAL 76 HG23 0.0030 0.0011 0.0014 9510 VAL 77 N 0.0016 0.0019 0.0015 9511 VAL 77 CA 0.0011 0.0019 0.0015 9512 VAL 77 C 0.0007 0.0023 0.0016 9513 VAL 77 O 0.0003 0.0022 0.0015 9514 VAL 77 CB 0.0010 0.0020 0.0015 9515 VAL 77 CG1 0.0005 0.0021 0.0015 9516 VAL 77 CG2 0.0013 0.0016 0.0015 9517 VAL 77 H 0.0019 0.0019 0.0015 9518 VAL 77 HA 0.0009 0.0015 0.0014 9519 VAL 77 HB 0.0012 0.0024 0.0016 9520 VAL 77 HG11 0.0002 0.0018 0.0014 9521 VAL 77 HG12 0.0003 0.0024 0.0016 9522 VAL 77 HG13 0.0005 0.0021 0.0015 9523 VAL 77 HG21 0.0015 0.0018 0.0015 9524 VAL 77 HG22 0.0017 0.0015 0.0014 9525 VAL 77 HG23 0.0011 0.0013 0.0014 9526 GLU 78 N 0.0009 0.0028 0.0017 9527 GLU 78 CA 0.0007 0.0032 0.0017 9528 GLU 78 C 0.0006 0.0030 0.0017 9529 GLU 78 O 0.0002 0.0031 0.0017 9530 GLU 78 CB 0.0010 0.0037 0.0018 9531 GLU 78 CG 0.0009 0.0039 0.0019 9532 GLU 78 CD 0.0012 0.0044 0.0020 9533 GLU 78 OE1 0.0016 0.0045 0.0020 9534 GLU 78 OE2 0.0010 0.0048 0.0021 9535 GLU 78 H 0.0013 0.0028 0.0017 9536 GLU 78 HA 0.0003 0.0032 0.0017 9537 GLU 78 HB2 0.0014 0.0036 0.0018 9538 GLU 78 HB3 0.0009 0.0039 0.0019 9539 GLU 78 HG2 0.0005 0.0040 0.0019 9540 GLU 78 HG3 0.0011 0.0037 0.0019 9541 LEU 79 N 0.0009 0.0035 0.0021 9542 LEU 79 CA 0.0010 0.0030 0.0020 9543 LEU 79 C 0.0004 0.0026 0.0016 9544 LEU 79 O 0.0001 0.0025 0.0015 9545 LEU 79 CB 0.0017 0.0026 0.0021 9546 LEU 79 CG 0.0021 0.0026 0.0023 9547 LEU 79 CD1 0.0017 0.0024 0.0021 9548 LEU 79 CD2 0.0023 0.0034 0.0026 9549 LEU 79 H 0.0013 0.0035 0.0023 9550 LEU 79 HA 0.0009 0.0034 0.0021 9551 LEU 79 HB2 0.0020 0.0027 0.0023 9552 LEU 79 HB3 0.0016 0.0020 0.0019 9553 LEU 79 HG 0.0025 0.0023 0.0024 9554 LEU 79 HD11 0.0015 0.0019 0.0019 9555 LEU 79 HD12 0.0020 0.0024 0.0022 9556 LEU 79 HD13 0.0012 0.0028 0.0020 9557 LEU 79 HD21 0.0025 0.0035 0.0027 9558 LEU 79 HD22 0.0018 0.0037 0.0025 9559 LEU 79 HD23 0.0026 0.0034 0.0027 9560 ILE 80 N 0.0002 0.0023 0.0015 9561 ILE 80 CA -0.0003 0.0018 0.0011 9562 ILE 80 C -0.0010 0.0023 0.0010 9563 ILE 80 O -0.0015 0.0021 0.0008 9564 ILE 80 CB -0.0002 0.0014 0.0010 9565 ILE 80 CG1 0.0004 0.0009 0.0011 9566 ILE 80 CG2 -0.0009 0.0011 0.0007 9567 ILE 80 CD1 0.0007 0.0007 0.0012 9568 ILE 80 H 0.0005 0.0024 0.0016 9569 ILE 80 HA -0.0003 0.0015 0.0010 9570 ILE 80 HB -0.0001 0.0018 0.0012 9571 ILE 80 HG12 0.0002 0.0004 0.0009 9572 ILE 80 HG13 0.0007 0.0010 0.0013 9573 ILE 80 HG21 -0.0008 0.0007 0.0006 9574 ILE 80 HG22 -0.0011 0.0009 0.0005 9575 ILE 80 HG23 -0.0013 0.0015 0.0007 9576 ILE 80 HD11 0.0012 0.0003 0.0012 9577 ILE 80 HD12 0.0004 0.0005 0.0010 9578 ILE 80 HD13 0.0009 0.0012 0.0014 9579 LEU 81 N -0.0011 0.0028 0.0011 9580 LEU 81 CA -0.0018 0.0033 0.0010 9581 LEU 81 C -0.0020 0.0036 0.0010 9582 LEU 81 O -0.0026 0.0036 0.0008 9583 LEU 81 CB -0.0018 0.0039 0.0012 9584 LEU 81 CG -0.0016 0.0037 0.0012 9585 LEU 81 CD1 -0.0015 0.0044 0.0014 9586 LEU 81 CD2 -0.0022 0.0033 0.0009 9587 LEU 81 H -0.0008 0.0030 0.0013 9588 LEU 81 HA -0.0022 0.0030 0.0008 9589 LEU 81 HB2 -0.0013 0.0042 0.0015 9590 LEU 81 HB3 -0.0022 0.0042 0.0011 9591 LEU 81 HG -0.0012 0.0033 0.0013 9592 LEU 81 HD11 -0.0011 0.0046 0.0017 9593 LEU 81 HD12 -0.0014 0.0042 0.0014 9594 LEU 81 HD13 -0.0020 0.0047 0.0014 9595 LEU 81 HD21 -0.0027 0.0036 0.0008 9596 LEU 81 HD22 -0.0022 0.0032 0.0009 9597 LEU 81 HD23 -0.0022 0.0028 0.0007 9598 LYS 82 N -0.0014 0.0038 0.0013 9599 LYS 82 CA -0.0015 0.0041 0.0013 9600 LYS 82 C -0.0018 0.0035 0.0011 9601 LYS 82 O -0.0022 0.0037 0.0010 9602 LYS 82 CB -0.0008 0.0043 0.0017 9603 LYS 82 CG -0.0009 0.0048 0.0018 9604 LYS 82 CD -0.0003 0.0047 0.0020 9605 LYS 82 CE 0.0003 0.0050 0.0024 9606 LYS 82 NZ 0.0009 0.0052 0.0026 9607 LYS 82 H -0.0010 0.0037 0.0015 9608 LYS 82 HA -0.0019 0.0045 0.0014 9609 LYS 82 HB2 -0.0006 0.0045 0.0018 9610 LYS 82 HB3 -0.0006 0.0038 0.0016 9611 LYS 82 HG2 -0.0014 0.0047 0.0016 9612 LYS 82 HG3 -0.0010 0.0053 0.0020 9613 LYS 82 HD2 -0.0001 0.0042 0.0019 9614 LYS 82 HD3 -0.0004 0.0050 0.0021 9615 LYS 82 HE2 0.0002 0.0055 0.0024 9616 LYS 82 HE3 0.0006 0.0047 0.0023 9617 LYS 82 HZ1 0.0010 0.0047 0.0025 9618 LYS 82 HZ2 0.0013 0.0053 0.0028 9619 LYS 82 HZ3 0.0007 0.0056 0.0027 9620 SER 83 N -0.0015 0.0029 0.0010 9621 SER 83 CA -0.0017 0.0023 0.0007 9622 SER 83 C -0.0025 0.0023 0.0004 9623 SER 83 O -0.0028 0.0022 0.0003 9624 SER 83 CB -0.0014 0.0016 0.0006 9625 SER 83 OG -0.0014 0.0010 0.0005 9626 SER 83 H -0.0012 0.0028 0.0011 9627 SER 83 HA -0.0015 0.0024 0.0008 9628 SER 83 HB2 -0.0009 0.0016 0.0009 9629 SER 83 HB3 -0.0017 0.0015 0.0005 9630 SER 83 HG -0.0018 0.0007 0.0002 9631 GLY 84 N -0.0029 0.0024 0.0003 9632 GLY 84 CA -0.0036 0.0024 0.0000 9633 GLY 84 C -0.0039 0.0019 -0.0002 9634 GLY 84 O -0.0037 0.0018 -0.0002 9635 GLY 84 H -0.0026 0.0024 0.0004 9636 GLY 84 HA2 -0.0038 0.0030 0.0001 9637 GLY 84 HA3 -0.0038 0.0023 -0.0000 9638 ASN 85 N -0.0045 0.0021 -0.0011 9639 ASN 85 CA -0.0049 0.0016 -0.0016 9640 ASN 85 C -0.0043 0.0009 -0.0016 9641 ASN 85 O -0.0046 0.0004 -0.0020 9642 ASN 85 CB -0.0055 0.0014 -0.0021 9643 ASN 85 CG -0.0051 0.0008 -0.0021 9644 ASN 85 OD1 -0.0050 0.0001 -0.0024 9645 ASN 85 ND2 -0.0051 0.0012 -0.0019 9646 ASN 85 H -0.0045 0.0021 -0.0011 9647 ASN 85 HA -0.0052 0.0020 -0.0016 9648 ASN 85 HB2 -0.0058 0.0011 -0.0024 9649 ASN 85 HB3 -0.0059 0.0019 -0.0020 9650 ASN 85 HD21 -0.0052 0.0018 -0.0017 9651 ASN 85 HD22 -0.0048 0.0009 -0.0019 9652 LYS 86 N -0.0036 0.0007 -0.0013 9653 LYS 86 CA -0.0030 0.0000 -0.0013 9654 LYS 86 C -0.0022 0.0001 -0.0007 9655 LYS 86 O -0.0021 0.0007 -0.0004 9656 LYS 86 CB -0.0031 -0.0007 -0.0017 9657 LYS 86 CG -0.0030 -0.0007 -0.0017 9658 LYS 86 CD -0.0029 -0.0015 -0.0020 9659 LYS 86 CE -0.0029 -0.0014 -0.0019 9660 LYS 86 NZ -0.0022 -0.0012 -0.0014 9661 LYS 86 H -0.0034 0.0011 -0.0010 9662 LYS 86 HA -0.0031 -0.0001 -0.0014 9663 LYS 86 HB2 -0.0027 -0.0012 -0.0017 9664 LYS 86 HB3 -0.0037 -0.0009 -0.0021 9665 LYS 86 HG2 -0.0036 -0.0003 -0.0018 9666 LYS 86 HG3 -0.0026 -0.0004 -0.0012 9667 LYS 86 HD2 -0.0023 -0.0019 -0.0018 9668 LYS 86 HD3 -0.0034 -0.0018 -0.0024 9669 LYS 86 HE2 -0.0029 -0.0020 -0.0023 9670 LYS 86 HE3 -0.0034 -0.0010 -0.0020 9671 LYS 86 HZ1 -0.0022 -0.0006 -0.0011 9672 LYS 86 HZ2 -0.0021 -0.0012 -0.0014 9673 LYS 86 HZ3 -0.0017 -0.0016 -0.0013 9674 VAL 87 N -0.0017 -0.0005 -0.0007 9675 VAL 87 CA -0.0008 -0.0004 -0.0002 9676 VAL 87 C -0.0003 -0.0012 -0.0003 9677 VAL 87 O -0.0004 -0.0017 -0.0006 9678 VAL 87 CB -0.0007 0.0003 0.0003 9679 VAL 87 CG1 -0.0008 0.0001 0.0001 9680 VAL 87 CG2 0.0001 0.0004 0.0008 9681 VAL 87 H -0.0018 -0.0009 -0.0010 9682 VAL 87 HA -0.0007 -0.0003 -0.0000 9683 VAL 87 HB -0.0011 0.0008 0.0003 9684 VAL 87 HG11 -0.0004 -0.0006 -0.0000 9685 VAL 87 HG12 -0.0014 0.0001 -0.0003 9686 VAL 87 HG13 -0.0006 0.0005 0.0004 9687 VAL 87 HG21 0.0001 0.0008 0.0010 9688 VAL 87 HG22 0.0005 -0.0001 0.0008 9689 VAL 87 HG23 0.0003 0.0007 0.0011 9690 ALA 88 N 0.0004 -0.0014 0.0001 9691 ALA 88 CA 0.0010 -0.0021 0.0000 9692 ALA 88 C 0.0016 -0.0020 0.0005 9693 ALA 88 O 0.0021 -0.0017 0.0009 9694 ALA 88 CB 0.0014 -0.0024 0.0001 9695 ALA 88 H 0.0005 -0.0010 0.0003 9696 ALA 88 HA 0.0007 -0.0026 -0.0004 9697 ALA 88 HB1 0.0010 -0.0026 -0.0002 9698 ALA 88 HB2 0.0019 -0.0030 0.0001 9699 ALA 88 HB3 0.0017 -0.0019 0.0005 9700 ILE 89 N 0.0015 -0.0023 0.0003 9701 ILE 89 CA 0.0021 -0.0022 0.0006 9702 ILE 89 C 0.0027 -0.0030 0.0006 9703 ILE 89 O 0.0026 -0.0036 0.0002 9704 ILE 89 CB 0.0016 -0.0020 0.0005 9705 ILE 89 CG1 0.0022 -0.0020 0.0008 9706 ILE 89 CG2 0.0011 -0.0025 -0.0001 9707 ILE 89 CD1 0.0019 -0.0016 0.0009 9708 ILE 89 H 0.0011 -0.0025 -0.0001 9709 ILE 89 HA 0.0023 -0.0017 0.0011 9710 ILE 89 HB 0.0013 -0.0014 0.0006 9711 ILE 89 HG12 0.0025 -0.0026 0.0007 9712 ILE 89 HG13 0.0027 -0.0017 0.0013 9713 ILE 89 HG21 0.0007 -0.0025 -0.0004 9714 ILE 89 HG22 0.0008 -0.0024 -0.0002 9715 ILE 89 HG23 0.0015 -0.0032 -0.0002 9716 ILE 89 HD11 0.0023 -0.0017 0.0010 9717 ILE 89 HD12 0.0013 -0.0017 0.0004 9718 ILE 89 HD13 0.0018 -0.0009 0.0011 9719 SER 90 N 0.0034 -0.0029 0.0011 9720 SER 90 CA 0.0041 -0.0036 0.0011 9721 SER 90 C 0.0045 -0.0037 0.0013 9722 SER 90 O 0.0048 -0.0032 0.0018 9723 SER 90 CB 0.0047 -0.0036 0.0015 9724 SER 90 OG 0.0050 -0.0043 0.0013 9725 SER 90 H 0.0035 -0.0024 0.0014 9726 SER 90 HA 0.0038 -0.0042 0.0007 9727 SER 90 HB2 0.0044 -0.0032 0.0015 9728 SER 90 HB3 0.0051 -0.0033 0.0019 9729 SER 90 HG 0.0046 -0.0047 0.0009 9730 THR 91 N 0.0070 -0.0056 0.0023 9731 THR 91 CA 0.0041 -0.0038 0.0021 9732 THR 91 C 0.0028 -0.0021 0.0017 9733 THR 91 O 0.0043 -0.0023 0.0016 9734 THR 91 CB 0.0046 -0.0014 0.0013 9735 THR 91 OG1 0.0070 0.0008 0.0004 9736 THR 91 CG2 0.0057 -0.0030 0.0017 9737 THR 91 H 0.0091 -0.0045 0.0018 9738 THR 91 HA 0.0022 -0.0054 0.0028 9739 THR 91 HB 0.0024 -0.0001 0.0012 9740 THR 91 HG1 0.0063 0.0029 -0.0002 9741 THR 91 HG21 0.0080 -0.0044 0.0018 9742 THR 91 HG22 0.0039 -0.0045 0.0024 9743 THR 91 HG23 0.0062 -0.0012 0.0011 9744 THR 92 N -0.0001 -0.0005 0.0016 9745 THR 92 CA -0.0015 0.0011 0.0013 9746 THR 92 C -0.0011 0.0047 0.0002 9747 THR 92 O -0.0029 0.0064 -0.0002 9748 THR 92 CB -0.0052 0.0003 0.0019 9749 THR 92 OG1 -0.0067 0.0021 0.0016 9750 THR 92 CG2 -0.0070 0.0009 0.0019 9751 THR 92 H -0.0011 -0.0003 0.0016 9752 THR 92 HA -0.0003 0.0001 0.0014 9753 THR 92 HB -0.0054 -0.0022 0.0027 9754 THR 92 HG1 -0.0054 0.0039 0.0009 9755 THR 92 HG21 -0.0096 0.0004 0.0024 9756 THR 92 HG22 -0.0068 0.0034 0.0012 9757 THR 92 HG23 -0.0060 -0.0006 0.0023 9758 PRO 93 N 0.0012 0.0059 -0.0005 9759 PRO 93 CA 0.0017 0.0093 -0.0015 9760 PRO 93 C -0.0015 0.0112 -0.0017 9761 PRO 93 O -0.0040 0.0098 -0.0011 9762 PRO 93 CB 0.0041 0.0096 -0.0019 9763 PRO 93 CG 0.0060 0.0065 -0.0012 9764 PRO 93 CD 0.0036 0.0041 -0.0002 9765 PRO 93 HA 0.0027 0.0102 -0.0019 9766 PRO 93 HB2 0.0028 0.0099 -0.0019 9767 PRO 93 HB3 0.0057 0.0115 -0.0027 9768 PRO 93 HG2 0.0069 0.0060 -0.0011 9769 PRO 93 HG3 0.0080 0.0066 -0.0014 9770 PRO 93 HD2 0.0026 0.0030 0.0003 9771 PRO 93 HD3 0.0049 0.0023 0.0002 9772 LEU 94 N -0.0013 0.0143 -0.0027 9773 LEU 94 CA -0.0040 0.0164 -0.0030 9774 LEU 94 C -0.0050 0.0161 -0.0028 9775 LEU 94 O -0.0030 0.0151 -0.0027 9776 LEU 94 CB -0.0032 0.0198 -0.0041 9777 LEU 94 CG 0.0003 0.0203 -0.0047 9778 LEU 94 CD1 0.0027 0.0202 -0.0049 9779 LEU 94 CD2 0.0004 0.0234 -0.0056 9780 LEU 94 H 0.0008 0.0152 -0.0032 9781 LEU 94 HA -0.0061 0.0158 -0.0026 9782 LEU 94 HB2 -0.0035 0.0212 -0.0045 9783 LEU 94 HB3 -0.0049 0.0207 -0.0042 9784 LEU 94 HG 0.0009 0.0184 -0.0042 9785 LEU 94 HD11 0.0033 0.0177 -0.0043 9786 LEU 94 HD12 0.0048 0.0214 -0.0055 9787 LEU 94 HD13 0.0016 0.0213 -0.0051 9788 LEU 94 HD21 -0.0011 0.0233 -0.0054 9789 LEU 94 HD22 -0.0004 0.0253 -0.0061 9790 LEU 94 HD23 0.0029 0.0238 -0.0060 9791 GLU 95 N -0.0080 0.0170 -0.0028 9792 GLU 95 CA -0.0092 0.0168 -0.0026 9793 GLU 95 C -0.0122 0.0190 -0.0029 9794 GLU 95 O -0.0138 0.0201 -0.0030 9795 GLU 95 CB -0.0101 0.0134 -0.0014 9796 GLU 95 CG -0.0133 0.0124 -0.0008 9797 GLU 95 CD -0.0131 0.0116 -0.0006 9798 GLU 95 OE1 -0.0135 0.0137 -0.0012 9799 GLU 95 OE2 -0.0126 0.0088 0.0002 9800 GLU 95 H -0.0095 0.0179 -0.0029 9801 GLU 95 HA -0.0073 0.0175 -0.0030 9802 GLU 95 HB2 -0.0102 0.0132 -0.0014 9803 GLU 95 HB3 -0.0082 0.0118 -0.0012 9804 GLU 95 HG2 -0.0151 0.0143 -0.0011 9805 GLU 95 HG3 -0.0141 0.0103 -0.0001 9806 ASN 96 N -0.0130 0.0197 -0.0030 9807 ASN 96 CA -0.0158 0.0216 -0.0033 9808 ASN 96 C -0.0188 0.0197 -0.0023 9809 ASN 96 O -0.0186 0.0169 -0.0015 9810 ASN 96 CB -0.0153 0.0233 -0.0038 9811 ASN 96 CG -0.0160 0.0211 -0.0031 9812 ASN 96 OD1 -0.0187 0.0211 -0.0028 9813 ASN 96 ND2 -0.0135 0.0194 -0.0029 9814 ASN 96 OXT -0.0214 0.0209 -0.0024 9815 ASN 96 H -0.0116 0.0188 -0.0029 9816 ASN 96 HA -0.0161 0.0234 -0.0038 9817 ASN 96 HB2 -0.0169 0.0253 -0.0042 9818 ASN 96 HB3 -0.0128 0.0240 -0.0043 9819 ASN 96 HD21 -0.0113 0.0196 -0.0032 9820 ASN 96 HD22 -0.0138 0.0181 -0.0024 9821 SER 101 N -0.0001 0.0030 0.0050 9822 SER 101 CA -0.0002 0.0031 0.0050 9823 SER 101 C -0.0002 0.0027 0.0040 9824 SER 101 O -0.0009 0.0028 0.0037 9825 SER 101 CB 0.0007 0.0031 0.0057 9826 SER 101 OG 0.0008 0.0033 0.0066 9827 SER 101 H1 -0.0007 0.0030 0.0047 9828 SER 101 H2 -0.0000 0.0033 0.0057 9829 SER 101 H3 0.0006 0.0027 0.0047 9830 SER 101 HA -0.0009 0.0033 0.0053 9831 SER 101 HB2 0.0013 0.0028 0.0053 9832 SER 101 HB3 0.0005 0.0032 0.0058 9833 SER 101 HG 0.0004 0.0036 0.0070 9834 TRP 102 N 0.0005 0.0023 0.0035 9835 TRP 102 CA 0.0006 0.0019 0.0025 9836 TRP 102 C 0.0011 0.0016 0.0019 9837 TRP 102 O 0.0017 0.0016 0.0023 9838 TRP 102 CB 0.0011 0.0018 0.0025 9839 TRP 102 CG 0.0022 0.0017 0.0030 9840 TRP 102 CD1 0.0030 0.0013 0.0026 9841 TRP 102 CD2 0.0025 0.0019 0.0039 9842 TRP 102 NE1 0.0038 0.0013 0.0032 9843 TRP 102 CE2 0.0035 0.0017 0.0041 9844 TRP 102 CE3 0.0020 0.0023 0.0047 9845 TRP 102 CZ2 0.0041 0.0019 0.0049 9846 TRP 102 CZ3 0.0026 0.0025 0.0055 9847 TRP 102 CH2 0.0036 0.0023 0.0057 9848 TRP 102 H 0.0011 0.0023 0.0038 9849 TRP 102 HA -0.0002 0.0020 0.0022 9850 TRP 102 HB2 0.0012 0.0015 0.0017 9851 TRP 102 HB3 0.0007 0.0020 0.0028 9852 TRP 102 HD1 0.0030 0.0011 0.0018 9853 TRP 102 HE1 0.0045 0.0011 0.0031 9854 TRP 102 HE3 0.0012 0.0025 0.0046 9855 TRP 102 HZ2 0.0049 0.0017 0.0050 9856 TRP 102 HZ3 0.0022 0.0028 0.0061 9857 TRP 102 HH2 0.0040 0.0024 0.0063 9858 GLU 103 N 0.0008 0.0013 0.0010 9859 GLU 103 CA 0.0012 0.0010 0.0004 9860 GLU 103 C 0.0021 0.0006 -0.0001 9861 GLU 103 O 0.0028 0.0003 -0.0004 9862 GLU 103 CB 0.0004 0.0009 -0.0004 9863 GLU 103 CG -0.0003 0.0013 -0.0000 9864 GLU 103 CD -0.0009 0.0017 0.0007 9865 GLU 103 OE1 -0.0013 0.0017 0.0006 9866 GLU 103 OE2 -0.0010 0.0020 0.0015 9867 GLU 103 H 0.0003 0.0014 0.0007 9868 GLU 103 HA 0.0015 0.0011 0.0008 9869 GLU 103 HB2 0.0000 0.0009 -0.0007 9870 GLU 103 HB3 0.0008 0.0006 -0.0010 9871 GLU 103 HG2 -0.0008 0.0012 -0.0006 9872 GLU 103 HG3 0.0001 0.0013 0.0003 9873 SER 104 N 0.0021 0.0006 -0.0002 9874 SER 104 CA 0.0029 0.0002 -0.0006 9875 SER 104 C 0.0032 0.0003 -0.0000 9876 SER 104 O 0.0026 0.0006 0.0004 9877 SER 104 CB 0.0026 -0.0001 -0.0017 9878 SER 104 OG 0.0020 -0.0001 -0.0022 9879 SER 104 H 0.0016 0.0008 0.0000 9880 SER 104 HA 0.0036 0.0000 -0.0006 9881 SER 104 HB2 0.0022 0.0000 -0.0017 9882 SER 104 HB3 0.0033 -0.0004 -0.0021 9883 SER 104 HG 0.0023 -0.0001 -0.0020 9884 HIS 105 N 0.0042 0.0001 0.0000 9885 HIS 105 CA 0.0046 0.0002 0.0006 9886 HIS 105 C 0.0050 -0.0002 -0.0001 9887 HIS 105 O 0.0045 -0.0001 -0.0003 9888 HIS 105 CB 0.0054 0.0002 0.0013 9889 HIS 105 CG 0.0058 0.0004 0.0020 9890 HIS 105 ND1 0.0067 0.0001 0.0017 9891 HIS 105 CD2 0.0056 0.0008 0.0028 9892 HIS 105 CE1 0.0069 0.0003 0.0025 9893 HIS 105 NE2 0.0062 0.0007 0.0032 9894 HIS 105 H 0.0047 -0.0002 -0.0004 9895 HIS 105 HA 0.0040 0.0005 0.0009 9896 HIS 105 HB2 0.0051 0.0005 0.0018 9897 HIS 105 HB3 0.0060 -0.0000 0.0010 9898 HIS 105 HD2 0.0049 0.0010 0.0032 9899 HIS 105 HE1 0.0075 0.0001 0.0025 9900 HIS 105 HE2 0.0063 0.0009 0.0038 9901 LYS 106 N 0.0058 -0.0005 -0.0005 9902 LYS 106 CA 0.0063 -0.0009 -0.0011 9903 LYS 106 C 0.0056 -0.0010 -0.0020 9904 LYS 106 O 0.0053 -0.0011 -0.0026 9905 LYS 106 CB 0.0073 -0.0012 -0.0014 9906 LYS 106 CG 0.0082 -0.0012 -0.0007 9907 LYS 106 CD 0.0091 -0.0015 -0.0010 9908 LYS 106 CE 0.0100 -0.0016 -0.0004 9909 LYS 106 NZ 0.0100 -0.0012 0.0007 9910 LYS 106 H 0.0062 -0.0005 -0.0003 9911 LYS 106 HA 0.0065 -0.0008 -0.0007 9912 LYS 106 HB2 0.0072 -0.0012 -0.0015 9913 LYS 106 HB3 0.0075 -0.0015 -0.0021 9914 LYS 106 HG2 0.0084 -0.0012 -0.0007 9915 LYS 106 HG3 0.0080 -0.0009 0.0000 9916 LYS 106 HD2 0.0089 -0.0015 -0.0008 9917 LYS 106 HD3 0.0092 -0.0018 -0.0017 9918 LYS 106 HE2 0.0107 -0.0018 -0.0006 9919 LYS 106 HE3 0.0102 -0.0016 -0.0005 9920 LYS 106 HZ1 0.0095 -0.0010 0.0008 9921 LYS 106 HZ2 0.0098 -0.0010 0.0010 9922 LYS 106 HZ3 0.0107 -0.0013 0.0010 9923 SER 107 N 0.0041 0.0015 0.0008 9924 SER 107 CA 0.0041 0.0017 0.0007 9925 SER 107 C 0.0038 0.0018 0.0006 9926 SER 107 O 0.0036 0.0018 0.0006 9927 SER 107 CB 0.0041 0.0015 0.0007 9928 SER 107 OG 0.0043 0.0013 0.0008 9929 SER 107 H 0.0040 0.0014 0.0008 9930 SER 107 HA 0.0043 0.0018 0.0007 9931 SER 107 HB2 0.0039 0.0014 0.0008 9932 SER 107 HB3 0.0041 0.0017 0.0007 9933 SER 107 HG 0.0042 0.0012 0.0009 9934 GLY 108 N 0.0039 0.0020 0.0006 9935 GLY 108 CA 0.0036 0.0021 0.0005 9936 GLY 108 C 0.0035 0.0020 0.0005 9937 GLY 108 O 0.0033 0.0021 0.0005 9938 GLY 108 H 0.0040 0.0020 0.0006 9939 GLY 108 HA2 0.0037 0.0023 0.0004 9940 GLY 108 HA3 0.0035 0.0021 0.0005 9941 GLY 109 N 0.0037 0.0018 0.0006 9942 GLY 109 CA 0.0036 0.0017 0.0006 9943 GLY 109 C 0.0035 0.0014 0.0007 9944 GLY 109 O 0.0036 0.0013 0.0008 9945 GLY 109 H 0.0038 0.0018 0.0006 9946 GLY 109 HA2 0.0037 0.0017 0.0006 9947 GLY 109 HA3 0.0034 0.0018 0.0006 9948 GLU 110 N 0.0033 0.0013 0.0007 9949 GLU 110 CA 0.0032 0.0011 0.0008 9950 GLU 110 C 0.0029 0.0011 0.0008 9951 GLU 110 O 0.0028 0.0009 0.0008 9952 GLU 110 CB 0.0034 0.0009 0.0009 9953 GLU 110 CG 0.0037 0.0009 0.0009 9954 GLU 110 CD 0.0038 0.0008 0.0010 9955 GLU 110 OE1 0.0037 0.0007 0.0010 9956 GLU 110 OE2 0.0040 0.0006 0.0011 9957 GLU 110 H 0.0032 0.0015 0.0007 9958 GLU 110 HA 0.0033 0.0010 0.0009 9959 GLU 110 HB2 0.0033 0.0010 0.0009 9960 GLU 110 HB3 0.0033 0.0007 0.0010 9961 GLU 110 HG2 0.0037 0.0009 0.0009 9962 GLU 110 HG3 0.0037 0.0011 0.0008 9963 THR 111 N 0.0028 0.0012 0.0007 9964 THR 111 CA 0.0025 0.0012 0.0007 9965 THR 111 C 0.0023 0.0009 0.0008 9966 THR 111 O 0.0025 0.0007 0.0009 9967 THR 111 CB 0.0024 0.0014 0.0006 9968 THR 111 OG1 0.0026 0.0016 0.0006 9969 THR 111 CG2 0.0021 0.0015 0.0005 9970 THR 111 H 0.0028 0.0013 0.0007 9971 THR 111 HA 0.0024 0.0012 0.0007 9972 THR 111 HB 0.0023 0.0013 0.0006 9973 THR 111 HG1 0.0025 0.0017 0.0005 9974 THR 111 HG21 0.0022 0.0016 0.0005 9975 THR 111 HG22 0.0019 0.0014 0.0006 9976 THR 111 HG23 0.0020 0.0017 0.0005 9977 ARG 112 N 0.0020 0.0009 0.0008 9978 ARG 112 CA 0.0019 0.0007 0.0008 9979 ARG 112 C 0.0016 0.0007 0.0008 9980 ARG 112 O 0.0015 0.0009 0.0007 9981 ARG 112 CB 0.0019 0.0005 0.0009 9982 ARG 112 CG 0.0019 0.0006 0.0009 9983 ARG 112 CD 0.0020 0.0004 0.0009 9984 ARG 112 NE 0.0018 0.0004 0.0009 9985 ARG 112 CZ 0.0019 0.0003 0.0010 9986 ARG 112 NH1 0.0021 0.0001 0.0011 9987 ARG 112 NH2 0.0018 0.0003 0.0009 9988 ARG 112 H 0.0019 0.0011 0.0007 9989 ARG 112 HA 0.0020 0.0006 0.0009 9990 ARG 112 HB2 0.0018 0.0003 0.0009 9991 ARG 112 HB3 0.0021 0.0004 0.0009 9992 ARG 112 HG2 0.0019 0.0008 0.0008 9993 ARG 112 HG3 0.0016 0.0006 0.0008 9994 ARG 112 HD2 0.0020 0.0002 0.0010 9995 ARG 112 HD3 0.0022 0.0005 0.0009 9996 ARG 112 HE 0.0017 0.0006 0.0008 9997 ARG 112 HH11 0.0022 0.0001 0.0011 9998 ARG 112 HH12 0.0021 -0.0000 0.0011 9999 ARG 112 HH21 0.0016 0.0004 0.0009 10000 ARG 112 HH22 0.0018 0.0002 0.0010 10001 LEU 113 N 0.0001 0.0017 0.0010 10002 LEU 113 CA -0.0004 0.0016 0.0007 10003 LEU 113 C -0.0009 0.0014 0.0004 10004 LEU 113 O -0.0011 0.0017 0.0004 10005 LEU 113 CB -0.0003 0.0012 0.0007 10006 LEU 113 CG 0.0001 0.0015 0.0009 10007 LEU 113 CD1 -0.0002 0.0021 0.0009 10008 LEU 113 CD2 0.0008 0.0015 0.0012 10009 LEU 113 OXT -0.0012 0.0009 0.0003 10010 LEU 113 H 0.0003 0.0013 0.0010 10011 LEU 113 HA -0.0005 0.0021 0.0007 10012 LEU 113 HB2 -0.0000 0.0007 0.0008 10013 LEU 113 HB3 -0.0007 0.0010 0.0005 10014 LEU 113 HG 0.0001 0.0011 0.0009 10015 LEU 113 HD11 -0.0006 0.0021 0.0006 10016 LEU 113 HD12 0.0001 0.0023 0.0010 10017 LEU 113 HD13 -0.0001 0.0025 0.0009 10018 LEU 113 HD21 0.0010 0.0017 0.0014 10019 LEU 113 HD22 0.0009 0.0010 0.0013 10020 LEU 113 HD23 0.0008 0.0018 0.0013 10021 GLY 1 N -0.0111 -0.0011 0.0119 10022 GLY 1 CA -0.0098 -0.0004 0.0102 10023 GLY 1 C -0.0067 -0.0016 0.0083 10024 GLY 1 O -0.0056 -0.0005 0.0066 10025 GLY 1 H1 -0.0133 -0.0004 0.0133 10026 GLY 1 H2 -0.0103 -0.0034 0.0127 10027 GLY 1 H3 -0.0108 0.0001 0.0108 10028 GLY 1 HA2 -0.0105 0.0021 0.0093 10029 GLY 1 HA3 -0.0103 -0.0015 0.0114 10030 GLY 2 N -0.0052 -0.0038 0.0085 10031 GLY 2 CA -0.0022 -0.0051 0.0067 10032 GLY 2 C -0.0011 -0.0078 0.0075 10033 GLY 2 O -0.0026 -0.0087 0.0095 10034 GLY 2 H -0.0062 -0.0045 0.0099 10035 GLY 2 HA2 -0.0016 -0.0058 0.0066 10036 GLY 2 HA3 -0.0014 -0.0033 0.0048 10037 SER 3 N 0.0017 -0.0091 0.0060 10038 SER 3 CA 0.0030 -0.0118 0.0065 10039 SER 3 C 0.0056 -0.0114 0.0041 10040 SER 3 O 0.0061 -0.0091 0.0021 10041 SER 3 CB 0.0039 -0.0147 0.0078 10042 SER 3 OG 0.0033 -0.0171 0.0098 10043 SER 3 H 0.0028 -0.0083 0.0044 10044 SER 3 HA 0.0016 -0.0118 0.0078 10045 SER 3 HB2 0.0027 -0.0143 0.0085 10046 SER 3 HB3 0.0061 -0.0155 0.0064 10047 SER 3 HG 0.0013 -0.0167 0.0113 10048 MET 4 N 0.0071 -0.0138 0.0043 10049 MET 4 CA 0.0096 -0.0138 0.0021 10050 MET 4 C 0.0090 -0.0110 0.0008 10051 MET 4 O 0.0098 -0.0089 -0.0013 10052 MET 4 CB 0.0119 -0.0140 0.0002 10053 MET 4 CG 0.0148 -0.0150 -0.0016 10054 MET 4 SD 0.0173 -0.0148 -0.0041 10055 MET 4 CE 0.0164 -0.0107 -0.0059 10056 MET 4 H 0.0065 -0.0156 0.0060 10057 MET 4 HA 0.0103 -0.0159 0.0029 10058 MET 4 HB2 0.0119 -0.0157 0.0013 10059 MET 4 HB3 0.0114 -0.0118 -0.0008 10060 MET 4 HG2 0.0147 -0.0136 -0.0026 10061 MET 4 HG3 0.0154 -0.0174 -0.0006 10062 MET 4 HE1 0.0144 -0.0097 -0.0048 10063 MET 4 HE2 0.0179 -0.0102 -0.0076 10064 MET 4 HE3 0.0163 -0.0098 -0.0065 10065 ARG 5 N 0.0074 -0.0109 0.0021 10066 ARG 5 CA 0.0067 -0.0083 0.0010 10067 ARG 5 C 0.0093 -0.0084 -0.0012 10068 ARG 5 O 0.0108 -0.0108 -0.0010 10069 ARG 5 CB 0.0044 -0.0084 0.0030 10070 ARG 5 CG 0.0016 -0.0077 0.0051 10071 ARG 5 CD 0.0015 -0.0106 0.0071 10072 ARG 5 NE -0.0011 -0.0099 0.0090 10073 ARG 5 CZ -0.0017 -0.0120 0.0109 10074 ARG 5 NH1 0.0002 -0.0149 0.0111 10075 ARG 5 NH2 -0.0041 -0.0112 0.0125 10076 ARG 5 H 0.0069 -0.0126 0.0037 10077 ARG 5 HA 0.0059 -0.0062 0.0003 10078 ARG 5 HB2 0.0051 -0.0107 0.0040 10079 ARG 5 HB3 0.0042 -0.0067 0.0021 10080 ARG 5 HG2 0.0000 -0.0069 0.0060 10081 ARG 5 HG3 0.0013 -0.0059 0.0042 10082 ARG 5 HD2 0.0032 -0.0115 0.0062 10083 ARG 5 HD3 0.0016 -0.0123 0.0081 10084 ARG 5 HE -0.0025 -0.0078 0.0088 10085 ARG 5 HH11 0.0020 -0.0154 0.0099 10086 ARG 5 HH12 -0.0003 -0.0164 0.0126 10087 ARG 5 HH21 -0.0055 -0.0091 0.0123 10088 ARG 5 HH22 -0.0045 -0.0128 0.0139 10089 PRO 6 N 0.0098 -0.0058 -0.0034 10090 PRO 6 CA 0.0122 -0.0056 -0.0057 10091 PRO 6 C 0.0118 -0.0050 -0.0057 10092 PRO 6 O 0.0102 -0.0025 -0.0060 10093 PRO 6 CB 0.0127 -0.0029 -0.0079 10094 PRO 6 CG 0.0103 -0.0016 -0.0066 10095 PRO 6 CD 0.0081 -0.0027 -0.0039 10096 PRO 6 HA 0.0140 -0.0077 -0.0059 10097 PRO 6 HB2 0.0127 -0.0012 -0.0090 10098 PRO 6 HB3 0.0146 -0.0037 -0.0091 10099 PRO 6 HG2 0.0095 0.0009 -0.0076 10100 PRO 6 HG3 0.0110 -0.0024 -0.0067 10101 PRO 6 HD2 0.0069 -0.0013 -0.0038 10102 PRO 6 HD3 0.0068 -0.0028 -0.0027 10103 PRO 7 N 0.0044 -0.0053 -0.0005 10104 PRO 7 CA 0.0037 -0.0046 -0.0004 10105 PRO 7 C 0.0028 -0.0048 -0.0010 10106 PRO 7 O 0.0025 -0.0052 -0.0014 10107 PRO 7 CB 0.0036 -0.0040 -0.0001 10108 PRO 7 CG 0.0044 -0.0043 0.0001 10109 PRO 7 CD 0.0047 -0.0053 -0.0003 10110 PRO 7 HA 0.0038 -0.0042 -0.0001 10111 PRO 7 HB2 0.0030 -0.0040 -0.0004 10112 PRO 7 HB3 0.0036 -0.0033 0.0003 10113 PRO 7 HG2 0.0043 -0.0043 0.0001 10114 PRO 7 HG3 0.0050 -0.0040 0.0005 10115 PRO 7 HD2 0.0044 -0.0057 -0.0007 10116 PRO 7 HD3 0.0054 -0.0055 -0.0001 10117 ILE 8 N 0.0024 -0.0045 -0.0011 10118 ILE 8 CA 0.0016 -0.0047 -0.0016 10119 ILE 8 C 0.0008 -0.0039 -0.0015 10120 ILE 8 O 0.0007 -0.0032 -0.0012 10121 ILE 8 CB 0.0015 -0.0048 -0.0017 10122 ILE 8 CG1 0.0024 -0.0053 -0.0015 10123 ILE 8 CG2 0.0008 -0.0053 -0.0023 10124 ILE 8 CD1 0.0025 -0.0051 -0.0013 10125 ILE 8 H 0.0027 -0.0042 -0.0007 10126 ILE 8 HA 0.0015 -0.0053 -0.0020 10127 ILE 8 HB 0.0013 -0.0041 -0.0014 10128 ILE 8 HG12 0.0024 -0.0059 -0.0019 10129 ILE 8 HG13 0.0029 -0.0051 -0.0011 10130 ILE 8 HG21 0.0002 -0.0050 -0.0025 10131 ILE 8 HG22 0.0006 -0.0052 -0.0024 10132 ILE 8 HG23 0.0010 -0.0059 -0.0026 10133 ILE 8 HD11 0.0019 -0.0051 -0.0017 10134 ILE 8 HD12 0.0026 -0.0045 -0.0009 10135 ILE 8 HD13 0.0030 -0.0056 -0.0014 10136 ILE 9 N 0.0004 -0.0041 -0.0019 10137 ILE 9 CA -0.0003 -0.0034 -0.0018 10138 ILE 9 C -0.0011 -0.0032 -0.0021 10139 ILE 9 O -0.0017 -0.0037 -0.0027 10140 ILE 9 CB -0.0006 -0.0037 -0.0021 10141 ILE 9 CG1 0.0002 -0.0042 -0.0020 10142 ILE 9 CG2 -0.0010 -0.0028 -0.0019 10143 ILE 9 CD1 0.0009 -0.0036 -0.0013 10144 ILE 9 H 0.0005 -0.0047 -0.0021 10145 ILE 9 HA -0.0001 -0.0028 -0.0014 10146 ILE 9 HB -0.0011 -0.0041 -0.0026 10147 ILE 9 HG12 0.0006 -0.0047 -0.0021 10148 ILE 9 HG13 -0.0000 -0.0044 -0.0022 10149 ILE 9 HG21 -0.0016 -0.0025 -0.0020 10150 ILE 9 HG22 -0.0012 -0.0030 -0.0020 10151 ILE 9 HG23 -0.0006 -0.0024 -0.0014 10152 ILE 9 HD11 0.0013 -0.0040 -0.0013 10153 ILE 9 HD12 0.0012 -0.0034 -0.0011 10154 ILE 9 HD13 0.0005 -0.0030 -0.0012 10155 ILE 10 N -0.0012 -0.0025 -0.0018 10156 ILE 10 CA -0.0020 -0.0023 -0.0020 10157 ILE 10 C -0.0028 -0.0018 -0.0022 10158 ILE 10 O -0.0026 -0.0015 -0.0019 10159 ILE 10 CB -0.0019 -0.0016 -0.0016 10160 ILE 10 CG1 -0.0011 -0.0019 -0.0014 10161 ILE 10 CG2 -0.0028 -0.0014 -0.0019 10162 ILE 10 CD1 -0.0006 -0.0012 -0.0007 10163 ILE 10 H -0.0008 -0.0022 -0.0014 10164 ILE 10 HA -0.0022 -0.0028 -0.0024 10165 ILE 10 HB -0.0019 -0.0010 -0.0012 10166 ILE 10 HG12 -0.0014 -0.0021 -0.0016 10167 ILE 10 HG13 -0.0007 -0.0024 -0.0014 10168 ILE 10 HG21 -0.0026 -0.0011 -0.0017 10169 ILE 10 HG22 -0.0030 -0.0020 -0.0024 10170 ILE 10 HG23 -0.0033 -0.0009 -0.0019 10171 ILE 10 HD11 -0.0004 -0.0010 -0.0005 10172 ILE 10 HD12 -0.0001 -0.0015 -0.0006 10173 ILE 10 HD13 -0.0011 -0.0007 -0.0006 10174 HIS 11 N -0.0036 -0.0017 -0.0025 10175 HIS 11 CA -0.0043 -0.0013 -0.0027 10176 HIS 11 C -0.0050 -0.0008 -0.0027 10177 HIS 11 O -0.0054 -0.0011 -0.0031 10178 HIS 11 CB -0.0048 -0.0020 -0.0033 10179 HIS 11 CG -0.0056 -0.0016 -0.0034 10180 HIS 11 ND1 -0.0063 -0.0018 -0.0040 10181 HIS 11 CD2 -0.0057 -0.0009 -0.0031 10182 HIS 11 CE1 -0.0069 -0.0013 -0.0040 10183 HIS 11 NE2 -0.0066 -0.0007 -0.0035 10184 HIS 11 H -0.0037 -0.0020 -0.0027 10185 HIS 11 HA -0.0041 -0.0009 -0.0023 10186 HIS 11 HB2 -0.0043 -0.0023 -0.0032 10187 HIS 11 HB3 -0.0049 -0.0024 -0.0036 10188 HIS 11 HD2 -0.0052 -0.0005 -0.0027 10189 HIS 11 HE1 -0.0076 -0.0014 -0.0044 10190 HIS 11 HE2 -0.0069 -0.0002 -0.0033 10191 ARG 12 N -0.0051 0.0001 -0.0023 10192 ARG 12 CA -0.0057 0.0007 -0.0022 10193 ARG 12 C -0.0067 0.0006 -0.0028 10194 ARG 12 O -0.0071 0.0009 -0.0028 10195 ARG 12 CB -0.0056 0.0016 -0.0017 10196 ARG 12 CG -0.0062 0.0023 -0.0016 10197 ARG 12 CD -0.0060 0.0031 -0.0009 10198 ARG 12 NE -0.0065 0.0038 -0.0009 10199 ARG 12 CZ -0.0069 0.0046 -0.0006 10200 ARG 12 NH1 -0.0067 0.0049 -0.0003 10201 ARG 12 NH2 -0.0074 0.0052 -0.0005 10202 ARG 12 H -0.0048 0.0003 -0.0020 10203 ARG 12 HA -0.0055 0.0005 -0.0022 10204 ARG 12 HB2 -0.0049 0.0016 -0.0013 10205 ARG 12 HB3 -0.0058 0.0018 -0.0017 10206 ARG 12 HG2 -0.0069 0.0023 -0.0019 10207 ARG 12 HG3 -0.0060 0.0021 -0.0016 10208 ARG 12 HD2 -0.0053 0.0031 -0.0006 10209 ARG 12 HD3 -0.0061 0.0033 -0.0009 10210 ARG 12 HE -0.0067 0.0036 -0.0010 10211 ARG 12 HH11 -0.0063 0.0045 -0.0003 10212 ARG 12 HH12 -0.0069 0.0055 -0.0001 10213 ARG 12 HH21 -0.0075 0.0050 -0.0007 10214 ARG 12 HH22 -0.0076 0.0058 -0.0003 10215 ALA 13 N -0.0076 -0.0005 -0.0033 10216 ALA 13 CA -0.0086 -0.0006 -0.0039 10217 ALA 13 C -0.0093 0.0004 -0.0038 10218 ALA 13 O -0.0098 0.0003 -0.0041 10219 ALA 13 CB -0.0087 -0.0016 -0.0042 10220 ALA 13 H -0.0070 -0.0008 -0.0031 10221 ALA 13 HA -0.0090 -0.0008 -0.0041 10222 ALA 13 HB1 -0.0095 -0.0018 -0.0046 10223 ALA 13 HB2 -0.0085 -0.0015 -0.0040 10224 ALA 13 HB3 -0.0082 -0.0023 -0.0042 10225 GLY 14 N -0.0092 0.0013 -0.0035 10226 GLY 14 CA -0.0097 0.0024 -0.0034 10227 GLY 14 C -0.0091 0.0029 -0.0030 10228 GLY 14 O -0.0091 0.0039 -0.0026 10229 GLY 14 H -0.0087 0.0013 -0.0033 10230 GLY 14 HA2 -0.0098 0.0030 -0.0033 10231 GLY 14 HA3 -0.0105 0.0023 -0.0038 10232 LYS 15 N -0.0086 0.0022 -0.0030 10233 LYS 15 CA -0.0081 0.0025 -0.0026 10234 LYS 15 C -0.0069 0.0027 -0.0020 10235 LYS 15 O -0.0067 0.0036 -0.0016 10236 LYS 15 CB -0.0081 0.0017 -0.0028 10237 LYS 15 CG -0.0081 0.0005 -0.0032 10238 LYS 15 CD -0.0080 -0.0003 -0.0034 10239 LYS 15 CE -0.0089 -0.0000 -0.0038 10240 LYS 15 NZ -0.0089 -0.0008 -0.0040 10241 LYS 15 H -0.0087 0.0014 -0.0032 10242 LYS 15 HA -0.0085 0.0033 -0.0025 10243 LYS 15 HB2 -0.0074 0.0017 -0.0025 10244 LYS 15 HB3 -0.0087 0.0020 -0.0031 10245 LYS 15 HG2 -0.0089 0.0005 -0.0036 10246 LYS 15 HG3 -0.0075 0.0002 -0.0030 10247 LYS 15 HD2 -0.0080 -0.0011 -0.0037 10248 LYS 15 HD3 -0.0073 -0.0002 -0.0031 10249 LYS 15 HE2 -0.0090 0.0008 -0.0035 10250 LYS 15 HE3 -0.0097 -0.0001 -0.0042 10251 LYS 15 HZ1 -0.0082 -0.0008 -0.0037 10252 LYS 15 HZ2 -0.0089 -0.0016 -0.0043 10253 LYS 15 HZ3 -0.0095 -0.0006 -0.0042 10254 LYS 16 N -0.0062 0.0018 -0.0019 10255 LYS 16 CA -0.0051 0.0018 -0.0014 10256 LYS 16 C -0.0046 0.0007 -0.0014 10257 LYS 16 O -0.0051 -0.0001 -0.0019 10258 LYS 16 CB -0.0046 0.0022 -0.0010 10259 LYS 16 CG -0.0049 0.0017 -0.0013 10260 LYS 16 CD -0.0044 0.0023 -0.0009 10261 LYS 16 CE -0.0052 0.0024 -0.0012 10262 LYS 16 NZ -0.0053 0.0013 -0.0016 10263 LYS 16 H -0.0064 0.0011 -0.0022 10264 LYS 16 HA -0.0051 0.0024 -0.0012 10265 LYS 16 HB2 -0.0038 0.0020 -0.0006 10266 LYS 16 HB3 -0.0048 0.0031 -0.0008 10267 LYS 16 HG2 -0.0057 0.0018 -0.0016 10268 LYS 16 HG3 -0.0046 0.0009 -0.0014 10269 LYS 16 HD2 -0.0037 0.0018 -0.0007 10270 LYS 16 HD3 -0.0043 0.0031 -0.0005 10271 LYS 16 HE2 -0.0048 0.0029 -0.0009 10272 LYS 16 HE3 -0.0059 0.0028 -0.0014 10273 LYS 16 HZ1 -0.0055 0.0014 -0.0017 10274 LYS 16 HZ2 -0.0046 0.0007 -0.0015 10275 LYS 16 HZ3 -0.0059 0.0009 -0.0020 10276 TYR 17 N -0.0036 0.0007 -0.0010 10277 TYR 17 CA -0.0029 -0.0004 -0.0010 10278 TYR 17 C -0.0025 -0.0010 -0.0010 10279 TYR 17 O -0.0020 -0.0019 -0.0010 10280 TYR 17 CB -0.0020 -0.0001 -0.0005 10281 TYR 17 CG -0.0024 0.0007 -0.0004 10282 TYR 17 CD1 -0.0024 0.0018 -0.0000 10283 TYR 17 CD2 -0.0027 0.0004 -0.0006 10284 TYR 17 CE1 -0.0027 0.0026 0.0001 10285 TYR 17 CE2 -0.0030 0.0011 -0.0005 10286 TYR 17 CZ -0.0030 0.0022 -0.0002 10287 TYR 17 OH -0.0033 0.0030 -0.0001 10288 TYR 17 H -0.0032 0.0013 -0.0006 10289 TYR 17 HA -0.0034 -0.0008 -0.0014 10290 TYR 17 HB2 -0.0014 0.0002 -0.0001 10291 TYR 17 HB3 -0.0017 -0.0009 -0.0005 10292 TYR 17 HD1 -0.0022 0.0021 0.0002 10293 TYR 17 HD2 -0.0026 -0.0005 -0.0009 10294 TYR 17 HE1 -0.0028 0.0035 0.0003 10295 TYR 17 HE2 -0.0032 0.0008 -0.0007 10296 TYR 17 HH -0.0037 0.0027 -0.0004 10297 GLY 18 N -0.0029 -0.0006 -0.0010 10298 GLY 18 CA -0.0026 -0.0012 -0.0011 10299 GLY 18 C -0.0015 -0.0016 -0.0006 10300 GLY 18 O -0.0012 -0.0025 -0.0008 10301 GLY 18 H -0.0033 0.0001 -0.0010 10302 GLY 18 HA2 -0.0029 -0.0006 -0.0010 10303 GLY 18 HA3 -0.0030 -0.0019 -0.0015 10304 PHE 19 N 0.0006 -0.0002 0.0010 10305 PHE 19 CA 0.0009 -0.0003 0.0012 10306 PHE 19 C 0.0012 -0.0000 0.0011 10307 PHE 19 O 0.0011 0.0003 0.0010 10308 PHE 19 CB 0.0008 -0.0006 0.0012 10309 PHE 19 CG 0.0008 -0.0004 0.0011 10310 PHE 19 CD1 0.0004 -0.0002 0.0009 10311 PHE 19 CD2 0.0010 -0.0003 0.0012 10312 PHE 19 CE1 0.0004 -0.0001 0.0008 10313 PHE 19 CE2 0.0009 -0.0001 0.0011 10314 PHE 19 CZ 0.0006 -0.0000 0.0009 10315 PHE 19 H 0.0005 -0.0000 0.0009 10316 PHE 19 HA 0.0010 -0.0005 0.0013 10317 PHE 19 HB2 0.0011 -0.0007 0.0014 10318 PHE 19 HB3 0.0006 -0.0008 0.0013 10319 PHE 19 HD1 0.0002 -0.0003 0.0009 10320 PHE 19 HD2 0.0012 -0.0004 0.0013 10321 PHE 19 HE1 0.0001 0.0000 0.0007 10322 PHE 19 HE2 0.0011 -0.0001 0.0011 10323 PHE 19 HZ 0.0006 0.0001 0.0008 10324 THR 20 N 0.0015 -0.0001 0.0013 10325 THR 20 CA 0.0018 0.0002 0.0013 10326 THR 20 C 0.0020 0.0002 0.0013 10327 THR 20 O 0.0021 -0.0001 0.0015 10328 THR 20 CB 0.0022 0.0001 0.0014 10329 THR 20 OG1 0.0020 0.0002 0.0014 10330 THR 20 CG2 0.0025 0.0004 0.0014 10331 THR 20 H 0.0016 -0.0003 0.0014 10332 THR 20 HA 0.0018 0.0004 0.0011 10333 THR 20 HB 0.0022 -0.0001 0.0016 10334 THR 20 HG1 0.0018 0.0000 0.0013 10335 THR 20 HG21 0.0027 0.0003 0.0016 10336 THR 20 HG22 0.0025 0.0006 0.0013 10337 THR 20 HG23 0.0025 0.0004 0.0014 10338 LEU 21 N 0.0020 0.0005 0.0012 10339 LEU 21 CA 0.0021 0.0005 0.0012 10340 LEU 21 C 0.0025 0.0007 0.0013 10341 LEU 21 O 0.0026 0.0010 0.0012 10342 LEU 21 CB 0.0019 0.0007 0.0010 10343 LEU 21 CG 0.0018 0.0006 0.0011 10344 LEU 21 CD1 0.0019 0.0002 0.0013 10345 LEU 21 CD2 0.0014 0.0006 0.0009 10346 LEU 21 H 0.0019 0.0007 0.0011 10347 LEU 21 HA 0.0021 0.0002 0.0013 10348 LEU 21 HB2 0.0016 0.0007 0.0009 10349 LEU 21 HB3 0.0020 0.0010 0.0010 10350 LEU 21 HG 0.0020 0.0007 0.0011 10351 LEU 21 HD11 0.0018 0.0001 0.0013 10352 LEU 21 HD12 0.0017 0.0000 0.0013 10353 LEU 21 HD13 0.0021 0.0002 0.0014 10354 LEU 21 HD21 0.0014 0.0005 0.0009 10355 LEU 21 HD22 0.0013 0.0008 0.0008 10356 LEU 21 HD23 0.0012 0.0004 0.0009 10357 ARG 22 N 0.0027 0.0004 0.0015 10358 ARG 22 CA 0.0031 0.0006 0.0016 10359 ARG 22 C 0.0032 0.0007 0.0016 10360 ARG 22 O 0.0032 0.0004 0.0017 10361 ARG 22 CB 0.0033 0.0003 0.0018 10362 ARG 22 CG 0.0036 0.0004 0.0019 10363 ARG 22 CD 0.0035 0.0005 0.0018 10364 ARG 22 NE 0.0039 0.0006 0.0019 10365 ARG 22 CZ 0.0039 0.0006 0.0018 10366 ARG 22 NH1 0.0036 0.0007 0.0017 10367 ARG 22 NH2 0.0042 0.0007 0.0019 10368 ARG 22 H 0.0026 0.0002 0.0016 10369 ARG 22 HA 0.0031 0.0008 0.0015 10370 ARG 22 HB2 0.0031 0.0001 0.0018 10371 ARG 22 HB3 0.0034 0.0001 0.0019 10372 ARG 22 HG2 0.0038 0.0002 0.0020 10373 ARG 22 HG3 0.0038 0.0006 0.0018 10374 ARG 22 HD2 0.0034 0.0007 0.0016 10375 ARG 22 HD3 0.0034 0.0003 0.0018 10376 ARG 22 HE 0.0041 0.0005 0.0020 10377 ARG 22 HH11 0.0033 0.0007 0.0016 10378 ARG 22 HH12 0.0036 0.0007 0.0017 10379 ARG 22 HH21 0.0044 0.0006 0.0020 10380 ARG 22 HH22 0.0042 0.0007 0.0019 10381 ALA 23 N 0.0034 0.0010 0.0015 10382 ALA 23 CA 0.0036 0.0011 0.0015 10383 ALA 23 C 0.0039 0.0009 0.0017 10384 ALA 23 O 0.0041 0.0009 0.0018 10385 ALA 23 CB 0.0036 0.0015 0.0014 10386 ALA 23 H 0.0034 0.0011 0.0014 10387 ALA 23 HA 0.0034 0.0010 0.0015 10388 ALA 23 HB1 0.0038 0.0016 0.0014 10389 ALA 23 HB2 0.0034 0.0016 0.0012 10390 ALA 23 HB3 0.0037 0.0016 0.0014 10391 ILE 24 N 0.0040 0.0008 0.0018 10392 ILE 24 CA 0.0043 0.0007 0.0020 10393 ILE 24 C 0.0045 0.0008 0.0020 10394 ILE 24 O 0.0043 0.0008 0.0019 10395 ILE 24 CB 0.0043 0.0003 0.0021 10396 ILE 24 CG1 0.0039 0.0001 0.0021 10397 ILE 24 CG2 0.0043 0.0002 0.0022 10398 ILE 24 CD1 0.0039 -0.0003 0.0023 10399 ILE 24 H 0.0038 0.0008 0.0017 10400 ILE 24 HA 0.0045 0.0008 0.0020 10401 ILE 24 HB 0.0045 0.0002 0.0023 10402 ILE 24 HG12 0.0037 0.0002 0.0020 10403 ILE 24 HG13 0.0039 0.0003 0.0020 10404 ILE 24 HG21 0.0045 0.0003 0.0022 10405 ILE 24 HG22 0.0042 -0.0001 0.0023 10406 ILE 24 HG23 0.0041 0.0003 0.0021 10407 ILE 24 HD11 0.0041 -0.0003 0.0024 10408 ILE 24 HD12 0.0036 -0.0004 0.0022 10409 ILE 24 HD13 0.0040 -0.0004 0.0024 10410 ARG 25 N 0.0029 0.0006 0.0006 10411 ARG 25 CA 0.0013 0.0003 -0.0006 10412 ARG 25 C -0.0002 0.0015 -0.0005 10413 ARG 25 O -0.0005 0.0015 -0.0008 10414 ARG 25 CB 0.0014 -0.0013 -0.0018 10415 ARG 25 CG 0.0029 -0.0026 -0.0019 10416 ARG 25 CD 0.0027 -0.0042 -0.0033 10417 ARG 25 NE 0.0024 -0.0043 -0.0036 10418 ARG 25 CZ 0.0026 -0.0056 -0.0045 10419 ARG 25 NH1 0.0031 -0.0069 -0.0053 10420 ARG 25 NH2 0.0022 -0.0056 -0.0047 10421 ARG 25 H 0.0034 0.0004 0.0008 10422 ARG 25 HA 0.0011 0.0003 -0.0007 10423 ARG 25 HB2 0.0014 -0.0012 -0.0017 10424 ARG 25 HB3 0.0003 -0.0016 -0.0027 10425 ARG 25 HG2 0.0031 -0.0026 -0.0018 10426 ARG 25 HG3 0.0040 -0.0025 -0.0012 10427 ARG 25 HD2 0.0017 -0.0043 -0.0040 10428 ARG 25 HD3 0.0038 -0.0051 -0.0033 10429 ARG 25 HE 0.0019 -0.0033 -0.0031 10430 ARG 25 HH11 0.0034 -0.0070 -0.0051 10431 ARG 25 HH12 0.0033 -0.0080 -0.0060 10432 ARG 25 HH21 0.0018 -0.0046 -0.0042 10433 ARG 25 HH22 0.0024 -0.0066 -0.0054 10434 VAL 26 N -0.0010 0.0027 -0.0001 10435 VAL 26 CA -0.0025 0.0040 0.0001 10436 VAL 26 C -0.0041 0.0035 -0.0013 10437 VAL 26 O -0.0048 0.0035 -0.0018 10438 VAL 26 CB -0.0028 0.0055 0.0011 10439 VAL 26 CG1 -0.0016 0.0063 0.0025 10440 VAL 26 CG2 -0.0026 0.0051 0.0009 10441 VAL 26 H -0.0007 0.0027 0.0001 10442 VAL 26 HA -0.0022 0.0042 0.0004 10443 VAL 26 HB -0.0041 0.0062 0.0009 10444 VAL 26 HG11 -0.0017 0.0073 0.0032 10445 VAL 26 HG12 -0.0003 0.0055 0.0026 10446 VAL 26 HG13 -0.0019 0.0067 0.0026 10447 VAL 26 HG21 -0.0031 0.0062 0.0015 10448 VAL 26 HG22 -0.0034 0.0044 -0.0001 10449 VAL 26 HG23 -0.0013 0.0045 0.0012 10450 TYR 27 N -0.0045 0.0031 -0.0019 10451 TYR 27 CA -0.0060 0.0026 -0.0032 10452 TYR 27 C -0.0076 0.0040 -0.0030 10453 TYR 27 O -0.0075 0.0053 -0.0019 10454 TYR 27 CB -0.0059 0.0016 -0.0040 10455 TYR 27 CG -0.0049 -0.0001 -0.0047 10456 TYR 27 CD1 -0.0032 -0.0007 -0.0041 10457 TYR 27 CD2 -0.0058 -0.0011 -0.0061 10458 TYR 27 CE1 -0.0023 -0.0023 -0.0049 10459 TYR 27 CE2 -0.0050 -0.0027 -0.0068 10460 TYR 27 CZ -0.0032 -0.0032 -0.0062 10461 TYR 27 OH -0.0024 -0.0048 -0.0069 10462 TYR 27 H -0.0038 0.0031 -0.0015 10463 TYR 27 HA -0.0061 0.0020 -0.0038 10464 TYR 27 HB2 -0.0052 0.0020 -0.0032 10465 TYR 27 HB3 -0.0072 0.0017 -0.0046 10466 TYR 27 HD1 -0.0025 0.0001 -0.0031 10467 TYR 27 HD2 -0.0072 -0.0007 -0.0066 10468 TYR 27 HE1 -0.0010 -0.0027 -0.0044 10469 TYR 27 HE2 -0.0057 -0.0034 -0.0079 10470 TYR 27 HH -0.0030 -0.0052 -0.0076 10471 MET 28 N -0.0090 0.0039 -0.0041 10472 MET 28 CA -0.0106 0.0052 -0.0040 10473 MET 28 C -0.0115 0.0052 -0.0045 10474 MET 28 O -0.0129 0.0052 -0.0054 10475 MET 28 CB -0.0118 0.0051 -0.0048 10476 MET 28 CG -0.0111 0.0051 -0.0043 10477 MET 28 SD -0.0106 0.0069 -0.0026 10478 MET 28 CE -0.0127 0.0083 -0.0028 10479 MET 28 H -0.0091 0.0028 -0.0049 10480 MET 28 HA -0.0103 0.0062 -0.0029 10481 MET 28 HB2 -0.0120 0.0040 -0.0058 10482 MET 28 HB3 -0.0129 0.0060 -0.0047 10483 MET 28 HG2 -0.0099 0.0042 -0.0044 10484 MET 28 HG3 -0.0120 0.0050 -0.0049 10485 MET 28 HE1 -0.0133 0.0083 -0.0032 10486 MET 28 HE2 -0.0134 0.0080 -0.0035 10487 MET 28 HE3 -0.0127 0.0094 -0.0018 10488 GLY 29 N -0.0105 0.0052 -0.0039 10489 GLY 29 CA -0.0112 0.0052 -0.0043 10490 GLY 29 C -0.0114 0.0037 -0.0056 10491 GLY 29 O -0.0103 0.0025 -0.0059 10492 GLY 29 H -0.0094 0.0052 -0.0031 10493 GLY 29 HA2 -0.0103 0.0054 -0.0035 10494 GLY 29 HA3 -0.0123 0.0062 -0.0042 10495 ASP 30 N -0.0130 0.0038 -0.0065 10496 ASP 30 CA -0.0134 0.0025 -0.0079 10497 ASP 30 C -0.0139 0.0017 -0.0087 10498 ASP 30 O -0.0153 0.0019 -0.0095 10499 ASP 30 CB -0.0149 0.0029 -0.0084 10500 ASP 30 CG -0.0152 0.0015 -0.0097 10501 ASP 30 OD1 -0.0143 0.0008 -0.0097 10502 ASP 30 OD2 -0.0163 0.0010 -0.0108 10503 ASP 30 H -0.0138 0.0049 -0.0062 10504 ASP 30 HA -0.0123 0.0016 -0.0079 10505 ASP 30 HB2 -0.0146 0.0036 -0.0077 10506 ASP 30 HB3 -0.0160 0.0036 -0.0086 10507 SER 31 N -0.0143 0.0012 -0.0105 10508 SER 31 CA -0.0142 0.0003 -0.0109 10509 SER 31 C -0.0124 -0.0011 -0.0103 10510 SER 31 O -0.0111 -0.0008 -0.0093 10511 SER 31 CB -0.0146 0.0019 -0.0103 10512 SER 31 OG -0.0162 0.0033 -0.0108 10513 SER 31 H -0.0131 0.0011 -0.0098 10514 SER 31 HA -0.0153 -0.0005 -0.0119 10515 SER 31 HB2 -0.0135 0.0027 -0.0093 10516 SER 31 HB3 -0.0145 0.0013 -0.0106 10517 SER 31 HG -0.0168 0.0029 -0.0114 10518 ASP 32 N -0.0124 -0.0026 -0.0110 10519 ASP 32 CA -0.0108 -0.0041 -0.0106 10520 ASP 32 C -0.0097 -0.0033 -0.0095 10521 ASP 32 O -0.0081 -0.0042 -0.0088 10522 ASP 32 CB -0.0113 -0.0060 -0.0118 10523 ASP 32 CG -0.0096 -0.0076 -0.0115 10524 ASP 32 OD1 -0.0088 -0.0083 -0.0112 10525 ASP 32 OD2 -0.0091 -0.0084 -0.0115 10526 ASP 32 H -0.0136 -0.0027 -0.0118 10527 ASP 32 HA -0.0100 -0.0043 -0.0102 10528 ASP 32 HB2 -0.0122 -0.0064 -0.0126 10529 ASP 32 HB3 -0.0119 -0.0057 -0.0121 10530 VAL 33 N -0.0105 -0.0017 -0.0093 10531 VAL 33 CA -0.0095 -0.0009 -0.0082 10532 VAL 33 C -0.0082 0.0002 -0.0069 10533 VAL 33 O -0.0087 0.0013 -0.0066 10534 VAL 33 CB -0.0109 0.0005 -0.0085 10535 VAL 33 CG1 -0.0122 0.0021 -0.0086 10536 VAL 33 CG2 -0.0099 0.0015 -0.0074 10537 VAL 33 H -0.0117 -0.0011 -0.0098 10538 VAL 33 HA -0.0088 -0.0021 -0.0083 10539 VAL 33 HB -0.0116 -0.0003 -0.0094 10540 VAL 33 HG11 -0.0114 0.0031 -0.0077 10541 VAL 33 HG12 -0.0128 0.0014 -0.0094 10542 VAL 33 HG13 -0.0132 0.0029 -0.0089 10543 VAL 33 HG21 -0.0108 0.0023 -0.0076 10544 VAL 33 HG22 -0.0089 0.0004 -0.0072 10545 VAL 33 HG23 -0.0092 0.0025 -0.0064 10546 TYR 34 N -0.0066 -0.0002 -0.0060 10547 TYR 34 CA -0.0052 0.0007 -0.0046 10548 TYR 34 C -0.0039 0.0008 -0.0037 10549 TYR 34 O -0.0037 -0.0004 -0.0040 10550 TYR 34 CB -0.0042 -0.0005 -0.0045 10551 TYR 34 CG -0.0031 -0.0025 -0.0046 10552 TYR 34 CD1 -0.0038 -0.0041 -0.0059 10553 TYR 34 CD2 -0.0012 -0.0029 -0.0035 10554 TYR 34 CE1 -0.0028 -0.0059 -0.0060 10555 TYR 34 CE2 -0.0002 -0.0047 -0.0037 10556 TYR 34 CZ -0.0010 -0.0062 -0.0049 10557 TYR 34 OH 0.0000 -0.0080 -0.0051 10558 TYR 34 H -0.0064 -0.0012 -0.0062 10559 TYR 34 HA -0.0058 0.0021 -0.0043 10560 TYR 34 HB2 -0.0033 0.0003 -0.0035 10561 TYR 34 HB3 -0.0051 -0.0008 -0.0052 10562 TYR 34 HD1 -0.0053 -0.0039 -0.0067 10563 TYR 34 HD2 -0.0006 -0.0017 -0.0025 10564 TYR 34 HE1 -0.0035 -0.0071 -0.0070 10565 TYR 34 HE2 0.0012 -0.0049 -0.0028 10566 TYR 34 HH -0.0004 -0.0084 -0.0056 10567 THR 35 N -0.0032 0.0023 -0.0024 10568 THR 35 CA -0.0019 0.0026 -0.0015 10569 THR 35 C -0.0000 0.0019 -0.0005 10570 THR 35 O 0.0004 0.0024 0.0000 10571 THR 35 CB -0.0023 0.0047 -0.0007 10572 THR 35 OG1 -0.0037 0.0059 -0.0011 10573 THR 35 CG2 -0.0027 0.0049 -0.0009 10574 THR 35 H -0.0035 0.0033 -0.0022 10575 THR 35 HA -0.0021 0.0017 -0.0020 10576 THR 35 HB -0.0011 0.0052 0.0004 10577 THR 35 HG1 -0.0048 0.0058 -0.0019 10578 THR 35 HG21 -0.0039 0.0043 -0.0019 10579 THR 35 HG22 -0.0016 0.0040 -0.0006 10580 THR 35 HG23 -0.0029 0.0064 -0.0003 10581 VAL 36 N 0.0011 0.0007 -0.0003 10582 VAL 36 CA 0.0030 -0.0001 0.0006 10583 VAL 36 C 0.0040 0.0014 0.0021 10584 VAL 36 O 0.0046 0.0015 0.0025 10585 VAL 36 CB 0.0038 -0.0021 0.0003 10586 VAL 36 CG1 0.0055 -0.0030 0.0010 10587 VAL 36 CG2 0.0025 -0.0034 -0.0012 10588 VAL 36 H 0.0007 0.0002 -0.0007 10589 VAL 36 HA 0.0030 -0.0003 0.0005 10590 VAL 36 HB 0.0042 -0.0018 0.0006 10591 VAL 36 HG11 0.0061 -0.0044 0.0007 10592 VAL 36 HG12 0.0052 -0.0033 0.0006 10593 VAL 36 HG13 0.0065 -0.0021 0.0020 10594 VAL 36 HG21 0.0015 -0.0029 -0.0017 10595 VAL 36 HG22 0.0019 -0.0033 -0.0016 10596 VAL 36 HG23 0.0032 -0.0049 -0.0014 10597 HIS 37 N 0.0041 0.0011 0.0017 10598 HIS 37 CA 0.0038 0.0009 0.0017 10599 HIS 37 C 0.0037 0.0008 0.0017 10600 HIS 37 O 0.0038 0.0009 0.0017 10601 HIS 37 CB 0.0040 0.0006 0.0018 10602 HIS 37 CG 0.0041 0.0006 0.0018 10603 HIS 37 ND1 0.0039 0.0008 0.0017 10604 HIS 37 CD2 0.0043 0.0004 0.0018 10605 HIS 37 CE1 0.0041 0.0007 0.0018 10606 HIS 37 NE2 0.0043 0.0005 0.0018 10607 HIS 37 H 0.0043 0.0010 0.0017 10608 HIS 37 HA 0.0037 0.0009 0.0017 10609 HIS 37 HB2 0.0042 0.0005 0.0018 10610 HIS 37 HB3 0.0038 0.0004 0.0018 10611 HIS 37 HD2 0.0045 0.0002 0.0019 10612 HIS 37 HE1 0.0040 0.0009 0.0017 10613 HIS 37 HE2 0.0045 0.0005 0.0018 10614 HIS 38 N 0.0035 0.0006 0.0018 10615 HIS 38 CA 0.0033 0.0005 0.0018 10616 HIS 38 C 0.0032 0.0001 0.0018 10617 HIS 38 O 0.0032 -0.0000 0.0018 10618 HIS 38 CB 0.0030 0.0007 0.0017 10619 HIS 38 CG 0.0031 0.0010 0.0016 10620 HIS 38 ND1 0.0032 0.0012 0.0016 10621 HIS 38 CD2 0.0030 0.0012 0.0016 10622 HIS 38 CE1 0.0032 0.0015 0.0016 10623 HIS 38 NE2 0.0031 0.0015 0.0015 10624 HIS 38 H 0.0034 0.0004 0.0018 10625 HIS 38 HA 0.0035 0.0005 0.0018 10626 HIS 38 HB2 0.0029 0.0006 0.0017 10627 HIS 38 HB3 0.0029 0.0006 0.0017 10628 HIS 38 HD2 0.0029 0.0012 0.0016 10629 HIS 38 HE1 0.0033 0.0016 0.0015 10630 HIS 38 HE2 0.0032 0.0017 0.0015 10631 MET 39 N 0.0032 0.0000 0.0018 10632 MET 39 CA 0.0031 -0.0003 0.0019 10633 MET 39 C 0.0028 -0.0004 0.0019 10634 MET 39 O 0.0029 -0.0002 0.0019 10635 MET 39 CB 0.0034 -0.0005 0.0019 10636 MET 39 CG 0.0033 -0.0009 0.0020 10637 MET 39 SD 0.0036 -0.0011 0.0021 10638 MET 39 CE 0.0039 -0.0010 0.0021 10639 MET 39 H 0.0031 0.0001 0.0018 10640 MET 39 HA 0.0030 -0.0004 0.0019 10641 MET 39 HB2 0.0036 -0.0004 0.0019 10642 MET 39 HB3 0.0034 -0.0005 0.0019 10643 MET 39 HG2 0.0031 -0.0009 0.0020 10644 MET 39 HG3 0.0033 -0.0009 0.0020 10645 MET 39 HE1 0.0042 -0.0011 0.0021 10646 MET 39 HE2 0.0040 -0.0007 0.0020 10647 MET 39 HE3 0.0039 -0.0010 0.0021 10648 VAL 40 N 0.0026 -0.0006 0.0019 10649 VAL 40 CA 0.0024 -0.0006 0.0019 10650 VAL 40 C 0.0025 -0.0008 0.0019 10651 VAL 40 O 0.0026 -0.0011 0.0020 10652 VAL 40 CB 0.0021 -0.0008 0.0019 10653 VAL 40 CG1 0.0022 -0.0011 0.0020 10654 VAL 40 CG2 0.0019 -0.0009 0.0019 10655 VAL 40 H 0.0026 -0.0007 0.0019 10656 VAL 40 HA 0.0023 -0.0004 0.0018 10657 VAL 40 HB 0.0019 -0.0006 0.0019 10658 VAL 40 HG11 0.0019 -0.0012 0.0020 10659 VAL 40 HG12 0.0023 -0.0012 0.0020 10660 VAL 40 HG13 0.0023 -0.0010 0.0020 10661 VAL 40 HG21 0.0019 -0.0007 0.0019 10662 VAL 40 HG22 0.0019 -0.0011 0.0019 10663 VAL 40 HG23 0.0016 -0.0009 0.0019 10664 TRP 41 N 0.0026 -0.0007 0.0019 10665 TRP 41 CA 0.0028 -0.0008 0.0020 10666 TRP 41 C 0.0026 -0.0010 0.0020 10667 TRP 41 O 0.0027 -0.0013 0.0020 10668 TRP 41 CB 0.0029 -0.0005 0.0019 10669 TRP 41 CG 0.0032 -0.0006 0.0020 10670 TRP 41 CD1 0.0033 -0.0006 0.0020 10671 TRP 41 CD2 0.0035 -0.0007 0.0020 10672 TRP 41 NE1 0.0036 -0.0007 0.0020 10673 TRP 41 CE2 0.0037 -0.0008 0.0020 10674 TRP 41 CE3 0.0035 -0.0008 0.0020 10675 TRP 41 CZ2 0.0040 -0.0009 0.0021 10676 TRP 41 CZ3 0.0038 -0.0009 0.0021 10677 TRP 41 CH2 0.0041 -0.0010 0.0021 10678 TRP 41 H 0.0026 -0.0004 0.0019 10679 TRP 41 HA 0.0030 -0.0009 0.0020 10680 TRP 41 HB2 0.0029 -0.0003 0.0019 10681 TRP 41 HB3 0.0027 -0.0005 0.0019 10682 TRP 41 HD1 0.0031 -0.0005 0.0019 10683 TRP 41 HE1 0.0037 -0.0007 0.0020 10684 TRP 41 HE3 0.0034 -0.0008 0.0020 10685 TRP 41 HZ2 0.0042 -0.0009 0.0021 10686 TRP 41 HZ3 0.0039 -0.0010 0.0021 10687 TRP 41 HH2 0.0043 -0.0011 0.0021 10688 HIS 42 N 0.0023 -0.0009 0.0019 10689 HIS 42 CA 0.0020 -0.0011 0.0020 10690 HIS 42 C 0.0017 -0.0010 0.0019 10691 HIS 42 O 0.0016 -0.0008 0.0019 10692 HIS 42 CB 0.0021 -0.0011 0.0020 10693 HIS 42 CG 0.0020 -0.0014 0.0020 10694 HIS 42 ND1 0.0022 -0.0015 0.0020 10695 HIS 42 CD2 0.0017 -0.0015 0.0020 10696 HIS 42 CE1 0.0021 -0.0017 0.0021 10697 HIS 42 NE2 0.0018 -0.0017 0.0021 10698 HIS 42 H 0.0022 -0.0007 0.0019 10699 HIS 42 HA 0.0021 -0.0014 0.0020 10700 HIS 42 HB2 0.0023 -0.0010 0.0020 10701 HIS 42 HB3 0.0019 -0.0009 0.0019 10702 HIS 42 HD2 0.0015 -0.0014 0.0020 10703 HIS 42 HE1 0.0022 -0.0019 0.0021 10704 HIS 42 HE2 0.0016 -0.0019 0.0021 10705 VAL 43 N 0.0010 -0.0023 0.0005 10706 VAL 43 CA 0.0003 -0.0024 0.0001 10707 VAL 43 C -0.0006 -0.0029 -0.0005 10708 VAL 43 O -0.0005 -0.0037 -0.0007 10709 VAL 43 CB 0.0007 -0.0032 0.0001 10710 VAL 43 CG1 0.0012 -0.0042 0.0001 10711 VAL 43 CG2 -0.0001 -0.0033 -0.0004 10712 VAL 43 H 0.0013 -0.0029 0.0005 10713 VAL 43 HA 0.0000 -0.0017 0.0002 10714 VAL 43 HB 0.0012 -0.0028 0.0005 10715 VAL 43 HG11 0.0018 -0.0041 0.0005 10716 VAL 43 HG12 0.0014 -0.0047 0.0001 10717 VAL 43 HG13 0.0007 -0.0046 -0.0003 10718 VAL 43 HG21 -0.0004 -0.0025 -0.0004 10719 VAL 43 HG22 -0.0006 -0.0037 -0.0008 10720 VAL 43 HG23 0.0002 -0.0038 -0.0003 10721 GLU 44 N -0.0014 -0.0022 -0.0009 10722 GLU 44 CA -0.0023 -0.0025 -0.0015 10723 GLU 44 C -0.0026 -0.0034 -0.0019 10724 GLU 44 O -0.0028 -0.0035 -0.0021 10725 GLU 44 CB -0.0030 -0.0015 -0.0016 10726 GLU 44 CG -0.0027 -0.0005 -0.0012 10727 GLU 44 CD -0.0035 0.0004 -0.0014 10728 GLU 44 OE1 -0.0036 0.0010 -0.0013 10729 GLU 44 OE2 -0.0040 0.0006 -0.0016 10730 GLU 44 H -0.0014 -0.0016 -0.0007 10731 GLU 44 HA -0.0022 -0.0026 -0.0014 10732 GLU 44 HB2 -0.0031 -0.0014 -0.0017 10733 GLU 44 HB3 -0.0037 -0.0016 -0.0020 10734 GLU 44 HG2 -0.0025 -0.0006 -0.0011 10735 GLU 44 HG3 -0.0021 -0.0003 -0.0007 10736 ASP 45 N -0.0027 -0.0042 -0.0022 10737 ASP 45 CA -0.0030 -0.0052 -0.0027 10738 ASP 45 C -0.0041 -0.0051 -0.0033 10739 ASP 45 O -0.0045 -0.0059 -0.0038 10740 ASP 45 CB -0.0026 -0.0062 -0.0027 10741 ASP 45 CG -0.0028 -0.0060 -0.0027 10742 ASP 45 OD1 -0.0026 -0.0051 -0.0024 10743 ASP 45 OD2 -0.0031 -0.0067 -0.0031 10744 ASP 45 H -0.0025 -0.0041 -0.0021 10745 ASP 45 HA -0.0028 -0.0054 -0.0026 10746 ASP 45 HB2 -0.0028 -0.0069 -0.0030 10747 ASP 45 HB3 -0.0018 -0.0063 -0.0022 10748 GLY 46 N -0.0045 -0.0042 -0.0033 10749 GLY 46 CA -0.0056 -0.0040 -0.0039 10750 GLY 46 C -0.0060 -0.0042 -0.0042 10751 GLY 46 O -0.0068 -0.0044 -0.0047 10752 GLY 46 H -0.0042 -0.0036 -0.0029 10753 GLY 46 HA2 -0.0058 -0.0046 -0.0042 10754 GLY 46 HA3 -0.0058 -0.0032 -0.0038 10755 GLY 47 N -0.0054 -0.0041 -0.0038 10756 GLY 47 CA -0.0058 -0.0042 -0.0040 10757 GLY 47 C -0.0051 -0.0039 -0.0036 10758 GLY 47 O -0.0050 -0.0046 -0.0037 10759 GLY 47 H -0.0048 -0.0039 -0.0034 10760 GLY 47 HA2 -0.0060 -0.0050 -0.0044 10761 GLY 47 HA3 -0.0065 -0.0036 -0.0043 10762 PRO 48 N -0.0048 -0.0030 -0.0031 10763 PRO 48 CA -0.0041 -0.0027 -0.0026 10764 PRO 48 C -0.0032 -0.0035 -0.0023 10765 PRO 48 O -0.0032 -0.0044 -0.0025 10766 PRO 48 CB -0.0039 -0.0016 -0.0022 10767 PRO 48 CG -0.0048 -0.0012 -0.0026 10768 PRO 48 CD -0.0050 -0.0022 -0.0030 10769 PRO 48 HA -0.0045 -0.0026 -0.0028 10770 PRO 48 HB2 -0.0033 -0.0017 -0.0019 10771 PRO 48 HB3 -0.0038 -0.0011 -0.0020 10772 PRO 48 HG2 -0.0046 -0.0006 -0.0023 10773 PRO 48 HG3 -0.0053 -0.0009 -0.0029 10774 PRO 48 HD2 -0.0045 -0.0023 -0.0028 10775 PRO 48 HD3 -0.0057 -0.0021 -0.0034 10776 ALA 49 N -0.0023 -0.0022 -0.0018 10777 ALA 49 CA -0.0014 -0.0026 -0.0015 10778 ALA 49 C -0.0012 -0.0036 -0.0017 10779 ALA 49 O -0.0008 -0.0043 -0.0018 10780 ALA 49 CB -0.0008 -0.0020 -0.0009 10781 ALA 49 H -0.0024 -0.0015 -0.0016 10782 ALA 49 HA -0.0013 -0.0028 -0.0015 10783 ALA 49 HB1 -0.0003 -0.0019 -0.0006 10784 ALA 49 HB2 -0.0004 -0.0023 -0.0008 10785 ALA 49 HB3 -0.0012 -0.0013 -0.0008 10786 SER 50 N -0.0015 -0.0037 -0.0019 10787 SER 50 CA -0.0013 -0.0045 -0.0022 10788 SER 50 C -0.0016 -0.0054 -0.0027 10789 SER 50 O -0.0011 -0.0061 -0.0027 10790 SER 50 CB -0.0016 -0.0044 -0.0023 10791 SER 50 OG -0.0010 -0.0043 -0.0019 10792 SER 50 H -0.0019 -0.0031 -0.0019 10793 SER 50 HA -0.0005 -0.0047 -0.0018 10794 SER 50 HB2 -0.0021 -0.0038 -0.0024 10795 SER 50 HB3 -0.0019 -0.0050 -0.0027 10796 SER 50 HG -0.0004 -0.0044 -0.0016 10797 GLU 51 N -0.0025 -0.0052 -0.0031 10798 GLU 51 CA -0.0029 -0.0059 -0.0037 10799 GLU 51 C -0.0026 -0.0061 -0.0036 10800 GLU 51 O -0.0026 -0.0069 -0.0039 10801 GLU 51 CB -0.0039 -0.0056 -0.0041 10802 GLU 51 CG -0.0043 -0.0055 -0.0043 10803 GLU 51 CD -0.0048 -0.0063 -0.0049 10804 GLU 51 OE1 -0.0043 -0.0071 -0.0050 10805 GLU 51 OE2 -0.0056 -0.0062 -0.0053 10806 GLU 51 H -0.0028 -0.0046 -0.0031 10807 GLU 51 HA -0.0027 -0.0066 -0.0038 10808 GLU 51 HB2 -0.0041 -0.0049 -0.0039 10809 GLU 51 HB3 -0.0042 -0.0061 -0.0045 10810 GLU 51 HG2 -0.0038 -0.0055 -0.0040 10811 GLU 51 HG3 -0.0047 -0.0049 -0.0043 10812 ALA 52 N -0.0023 -0.0054 -0.0031 10813 ALA 52 CA -0.0019 -0.0055 -0.0029 10814 ALA 52 C -0.0010 -0.0062 -0.0027 10815 ALA 52 O -0.0007 -0.0066 -0.0027 10816 ALA 52 CB -0.0018 -0.0046 -0.0025 10817 ALA 52 H -0.0023 -0.0048 -0.0029 10818 ALA 52 HA -0.0024 -0.0058 -0.0033 10819 ALA 52 HB1 -0.0015 -0.0042 -0.0022 10820 ALA 52 HB2 -0.0024 -0.0042 -0.0027 10821 ALA 52 HB3 -0.0013 -0.0047 -0.0023 10822 GLY 53 N -0.0006 -0.0063 -0.0025 10823 GLY 53 CA 0.0003 -0.0070 -0.0023 10824 GLY 53 C 0.0009 -0.0066 -0.0017 10825 GLY 53 O 0.0016 -0.0071 -0.0015 10826 GLY 53 H -0.0008 -0.0060 -0.0025 10827 GLY 53 HA2 0.0002 -0.0076 -0.0026 10828 GLY 53 HA3 0.0005 -0.0072 -0.0022 10829 LEU 54 N 0.0008 -0.0056 -0.0014 10830 LEU 54 CA 0.0014 -0.0052 -0.0009 10831 LEU 54 C 0.0015 -0.0054 -0.0010 10832 LEU 54 O 0.0008 -0.0053 -0.0012 10833 LEU 54 CB 0.0011 -0.0041 -0.0006 10834 LEU 54 CG 0.0019 -0.0036 0.0001 10835 LEU 54 CD1 0.0016 -0.0025 0.0003 10836 LEU 54 CD2 0.0025 -0.0037 0.0003 10837 LEU 54 H 0.0002 -0.0053 -0.0016 10838 LEU 54 HA 0.0020 -0.0054 -0.0006 10839 LEU 54 HB2 0.0007 -0.0039 -0.0008 10840 LEU 54 HB3 0.0007 -0.0038 -0.0007 10841 LEU 54 HG 0.0023 -0.0038 0.0002 10842 LEU 54 HD11 0.0013 -0.0024 0.0002 10843 LEU 54 HD12 0.0022 -0.0021 0.0007 10844 LEU 54 HD13 0.0011 -0.0022 0.0001 10845 LEU 54 HD21 0.0022 -0.0032 0.0003 10846 LEU 54 HD22 0.0031 -0.0036 0.0007 10847 LEU 54 HD23 0.0025 -0.0045 0.0000 10848 ARG 55 N 0.0017 -0.0027 0.0018 10849 ARG 55 CA 0.0018 -0.0029 0.0017 10850 ARG 55 C 0.0019 -0.0028 0.0017 10851 ARG 55 O 0.0020 -0.0027 0.0017 10852 ARG 55 CB 0.0019 -0.0030 0.0017 10853 ARG 55 CG 0.0020 -0.0028 0.0017 10854 ARG 55 CD 0.0022 -0.0029 0.0016 10855 ARG 55 NE 0.0022 -0.0030 0.0016 10856 ARG 55 CZ 0.0023 -0.0031 0.0015 10857 ARG 55 NH1 0.0024 -0.0030 0.0015 10858 ARG 55 NH2 0.0024 -0.0033 0.0014 10859 ARG 55 H 0.0018 -0.0026 0.0018 10860 ARG 55 HA 0.0017 -0.0029 0.0018 10861 ARG 55 HB2 0.0019 -0.0031 0.0017 10862 ARG 55 HB3 0.0018 -0.0030 0.0017 10863 ARG 55 HG2 0.0020 -0.0029 0.0017 10864 ARG 55 HG3 0.0020 -0.0027 0.0017 10865 ARG 55 HD2 0.0023 -0.0028 0.0016 10866 ARG 55 HD3 0.0022 -0.0028 0.0016 10867 ARG 55 HE 0.0021 -0.0031 0.0016 10868 ARG 55 HH11 0.0024 -0.0029 0.0015 10869 ARG 55 HH12 0.0025 -0.0030 0.0014 10870 ARG 55 HH21 0.0023 -0.0033 0.0015 10871 ARG 55 HH22 0.0025 -0.0033 0.0014 10872 GLN 56 N 0.0018 -0.0029 0.0017 10873 GLN 56 CA 0.0019 -0.0029 0.0017 10874 GLN 56 C 0.0021 -0.0029 0.0016 10875 GLN 56 O 0.0022 -0.0030 0.0016 10876 GLN 56 CB 0.0019 -0.0030 0.0017 10877 GLN 56 CG 0.0019 -0.0029 0.0017 10878 GLN 56 CD 0.0019 -0.0031 0.0017 10879 GLN 56 OE1 0.0017 -0.0031 0.0017 10880 GLN 56 NE2 0.0019 -0.0031 0.0016 10881 GLN 56 H 0.0018 -0.0030 0.0017 10882 GLN 56 HA 0.0019 -0.0027 0.0017 10883 GLN 56 HB2 0.0018 -0.0030 0.0017 10884 GLN 56 HB3 0.0019 -0.0031 0.0016 10885 GLN 56 HG2 0.0021 -0.0030 0.0016 10886 GLN 56 HG3 0.0019 -0.0028 0.0017 10887 GLN 56 HE21 0.0021 -0.0030 0.0016 10888 GLN 56 HE22 0.0019 -0.0032 0.0016 10889 GLY 57 N 0.0022 -0.0028 0.0016 10890 GLY 57 CA 0.0024 -0.0028 0.0015 10891 GLY 57 C 0.0025 -0.0027 0.0015 10892 GLY 57 O 0.0026 -0.0027 0.0015 10893 GLY 57 H 0.0022 -0.0027 0.0016 10894 GLY 57 HA2 0.0025 -0.0027 0.0015 10895 GLY 57 HA3 0.0024 -0.0029 0.0015 10896 ASP 58 N 0.0024 -0.0025 0.0016 10897 ASP 58 CA 0.0025 -0.0024 0.0016 10898 ASP 58 C 0.0025 -0.0022 0.0016 10899 ASP 58 O 0.0024 -0.0022 0.0016 10900 ASP 58 CB 0.0023 -0.0024 0.0016 10901 ASP 58 CG 0.0024 -0.0024 0.0016 10902 ASP 58 OD1 0.0025 -0.0023 0.0016 10903 ASP 58 OD2 0.0023 -0.0025 0.0016 10904 ASP 58 H 0.0023 -0.0025 0.0016 10905 ASP 58 HA 0.0026 -0.0025 0.0015 10906 ASP 58 HB2 0.0022 -0.0025 0.0017 10907 ASP 58 HB3 0.0022 -0.0023 0.0017 10908 LEU 59 N 0.0026 -0.0022 0.0016 10909 LEU 59 CA 0.0027 -0.0020 0.0016 10910 LEU 59 C 0.0026 -0.0019 0.0016 10911 LEU 59 O 0.0026 -0.0019 0.0016 10912 LEU 59 CB 0.0029 -0.0020 0.0015 10913 LEU 59 CG 0.0030 -0.0018 0.0015 10914 LEU 59 CD1 0.0030 -0.0017 0.0015 10915 LEU 59 CD2 0.0031 -0.0018 0.0015 10916 LEU 59 H 0.0027 -0.0022 0.0015 10917 LEU 59 HA 0.0027 -0.0020 0.0016 10918 LEU 59 HB2 0.0029 -0.0021 0.0015 10919 LEU 59 HB3 0.0029 -0.0020 0.0015 10920 LEU 59 HG 0.0029 -0.0017 0.0016 10921 LEU 59 HD11 0.0029 -0.0018 0.0016 10922 LEU 59 HD12 0.0030 -0.0016 0.0015 10923 LEU 59 HD13 0.0031 -0.0018 0.0015 10924 LEU 59 HD21 0.0032 -0.0019 0.0014 10925 LEU 59 HD22 0.0032 -0.0017 0.0015 10926 LEU 59 HD23 0.0031 -0.0018 0.0015 10927 ILE 60 N 0.0026 -0.0017 0.0017 10928 ILE 60 CA 0.0025 -0.0016 0.0017 10929 ILE 60 C 0.0026 -0.0015 0.0017 10930 ILE 60 O 0.0027 -0.0014 0.0017 10931 ILE 60 CB 0.0024 -0.0015 0.0018 10932 ILE 60 CG1 0.0022 -0.0017 0.0018 10933 ILE 60 CG2 0.0023 -0.0014 0.0019 10934 ILE 60 CD1 0.0023 -0.0018 0.0018 10935 ILE 60 H 0.0026 -0.0017 0.0017 10936 ILE 60 HA 0.0024 -0.0016 0.0018 10937 ILE 60 HB 0.0024 -0.0015 0.0018 10938 ILE 60 HG12 0.0021 -0.0016 0.0019 10939 ILE 60 HG13 0.0022 -0.0017 0.0018 10940 ILE 60 HG21 0.0022 -0.0013 0.0019 10941 ILE 60 HG22 0.0022 -0.0014 0.0019 10942 ILE 60 HG23 0.0024 -0.0013 0.0018 10943 ILE 60 HD11 0.0024 -0.0019 0.0017 10944 ILE 60 HD12 0.0022 -0.0019 0.0018 10945 ILE 60 HD13 0.0023 -0.0017 0.0018 10946 THR 61 N 0.0039 -0.0019 0.0028 10947 THR 61 CA 0.0042 -0.0020 0.0031 10948 THR 61 C 0.0040 -0.0017 0.0030 10949 THR 61 O 0.0042 -0.0015 0.0033 10950 THR 61 CB 0.0044 -0.0026 0.0030 10951 THR 61 OG1 0.0041 -0.0029 0.0027 10952 THR 61 CG2 0.0045 -0.0029 0.0031 10953 THR 61 H 0.0037 -0.0022 0.0025 10954 THR 61 HA 0.0044 -0.0018 0.0034 10955 THR 61 HB 0.0047 -0.0026 0.0033 10956 THR 61 HG1 0.0041 -0.0029 0.0027 10957 THR 61 HG21 0.0043 -0.0029 0.0028 10958 THR 61 HG22 0.0047 -0.0026 0.0034 10959 THR 61 HG23 0.0047 -0.0033 0.0031 10960 HIS 62 N 0.0036 -0.0018 0.0026 10961 HIS 62 CA 0.0034 -0.0016 0.0025 10962 HIS 62 C 0.0029 -0.0014 0.0021 10963 HIS 62 O 0.0028 -0.0015 0.0019 10964 HIS 62 CB 0.0035 -0.0021 0.0024 10965 HIS 62 CG 0.0039 -0.0024 0.0027 10966 HIS 62 ND1 0.0041 -0.0029 0.0027 10967 HIS 62 CD2 0.0042 -0.0022 0.0030 10968 HIS 62 CE1 0.0045 -0.0030 0.0030 10969 HIS 62 NE2 0.0046 -0.0026 0.0033 10970 HIS 62 H 0.0035 -0.0020 0.0024 10971 HIS 62 HA 0.0036 -0.0013 0.0027 10972 HIS 62 HB2 0.0033 -0.0024 0.0021 10973 HIS 62 HB3 0.0033 -0.0019 0.0023 10974 HIS 62 HD2 0.0042 -0.0018 0.0031 10975 HIS 62 HE1 0.0048 -0.0034 0.0031 10976 HIS 62 HE2 0.0049 -0.0027 0.0035 10977 VAL 63 N 0.0027 -0.0010 0.0021 10978 VAL 63 CA 0.0023 -0.0008 0.0017 10979 VAL 63 C 0.0021 -0.0008 0.0015 10980 VAL 63 O 0.0022 -0.0005 0.0018 10981 VAL 63 CB 0.0022 -0.0002 0.0018 10982 VAL 63 CG1 0.0024 0.0002 0.0022 10983 VAL 63 CG2 0.0017 -0.0000 0.0014 10984 VAL 63 H 0.0029 -0.0009 0.0023 10985 VAL 63 HA 0.0022 -0.0011 0.0015 10986 VAL 63 HB 0.0023 -0.0003 0.0019 10987 VAL 63 HG11 0.0027 0.0000 0.0024 10988 VAL 63 HG12 0.0023 0.0006 0.0022 10989 VAL 63 HG13 0.0022 0.0003 0.0020 10990 VAL 63 HG21 0.0016 0.0004 0.0015 10991 VAL 63 HG22 0.0016 -0.0002 0.0012 10992 VAL 63 HG23 0.0015 -0.0001 0.0012 10993 ASN 64 N 0.0018 -0.0011 0.0012 10994 ASN 64 CA 0.0016 -0.0011 0.0010 10995 ASN 64 C 0.0020 -0.0012 0.0012 10996 ASN 64 O 0.0019 -0.0011 0.0012 10997 ASN 64 CB 0.0013 -0.0005 0.0009 10998 ASN 64 CG 0.0009 -0.0006 0.0004 10999 ASN 64 OD1 0.0007 -0.0009 0.0002 11000 ASN 64 ND2 0.0007 -0.0002 0.0004 11001 ASN 64 H 0.0018 -0.0013 0.0010 11002 ASN 64 HA 0.0015 -0.0014 0.0007 11003 ASN 64 HB2 0.0013 -0.0002 0.0010 11004 ASN 64 HB3 0.0015 -0.0004 0.0011 11005 ASN 64 HD21 0.0008 0.0001 0.0006 11006 ASN 64 HD22 0.0004 -0.0002 0.0001 11007 GLY 65 N 0.0023 -0.0016 0.0014 11008 GLY 65 CA 0.0027 -0.0018 0.0017 11009 GLY 65 C 0.0029 -0.0013 0.0021 11010 GLY 65 O 0.0030 -0.0012 0.0022 11011 GLY 65 H 0.0024 -0.0017 0.0014 11012 GLY 65 HA2 0.0029 -0.0021 0.0018 11013 GLY 65 HA3 0.0025 -0.0019 0.0015 11014 GLU 66 N 0.0030 -0.0011 0.0023 11015 GLU 66 CA 0.0032 -0.0006 0.0027 11016 GLU 66 C 0.0034 -0.0006 0.0029 11017 GLU 66 O 0.0032 -0.0005 0.0028 11018 GLU 66 CB 0.0029 -0.0001 0.0026 11019 GLU 66 CG 0.0031 0.0003 0.0029 11020 GLU 66 CD 0.0033 0.0001 0.0030 11021 GLU 66 OE1 0.0037 -0.0002 0.0032 11022 GLU 66 OE2 0.0031 0.0002 0.0029 11023 GLU 66 H 0.0029 -0.0011 0.0021 11024 GLU 66 HA 0.0034 -0.0007 0.0028 11025 GLU 66 HB2 0.0026 -0.0002 0.0023 11026 GLU 66 HB3 0.0028 0.0001 0.0025 11027 GLU 66 HG2 0.0028 0.0007 0.0028 11028 GLU 66 HG3 0.0033 0.0005 0.0032 11029 PRO 67 N 0.0040 0.0005 0.0023 11030 PRO 67 CA 0.0042 0.0004 0.0023 11031 PRO 67 C 0.0042 0.0005 0.0023 11032 PRO 67 O 0.0041 0.0008 0.0024 11033 PRO 67 CB 0.0046 0.0004 0.0024 11034 PRO 67 CG 0.0046 0.0006 0.0024 11035 PRO 67 CD 0.0042 0.0005 0.0023 11036 PRO 67 HA 0.0042 0.0001 0.0022 11037 PRO 67 HB2 0.0047 0.0006 0.0024 11038 PRO 67 HB3 0.0047 0.0002 0.0023 11039 PRO 67 HG2 0.0046 0.0008 0.0025 11040 PRO 67 HG3 0.0047 0.0005 0.0024 11041 PRO 67 HD2 0.0041 0.0007 0.0024 11042 PRO 67 HD3 0.0042 0.0003 0.0023 11043 VAL 68 N 0.0041 0.0004 0.0023 11044 VAL 68 CA 0.0040 0.0005 0.0023 11045 VAL 68 C 0.0043 0.0006 0.0024 11046 VAL 68 O 0.0043 0.0007 0.0024 11047 VAL 68 CB 0.0039 0.0003 0.0022 11048 VAL 68 CG1 0.0036 0.0002 0.0021 11049 VAL 68 CG2 0.0041 -0.0000 0.0021 11050 VAL 68 H 0.0042 0.0001 0.0022 11051 VAL 68 HA 0.0039 0.0007 0.0023 11052 VAL 68 HB 0.0038 0.0004 0.0022 11053 VAL 68 HG11 0.0036 0.0001 0.0021 11054 VAL 68 HG12 0.0034 0.0004 0.0021 11055 VAL 68 HG13 0.0035 -0.0000 0.0020 11056 VAL 68 HG21 0.0043 0.0000 0.0022 11057 VAL 68 HG22 0.0042 -0.0001 0.0021 11058 VAL 68 HG23 0.0040 -0.0002 0.0020 11059 HIS 69 N 0.0046 0.0005 0.0024 11060 HIS 69 CA 0.0049 0.0005 0.0025 11061 HIS 69 C 0.0050 0.0009 0.0026 11062 HIS 69 O 0.0050 0.0010 0.0027 11063 HIS 69 CB 0.0051 0.0004 0.0025 11064 HIS 69 CG 0.0052 0.0001 0.0024 11065 HIS 69 ND1 0.0054 -0.0001 0.0024 11066 HIS 69 CD2 0.0050 -0.0001 0.0022 11067 HIS 69 CE1 0.0054 -0.0004 0.0022 11068 HIS 69 NE2 0.0051 -0.0004 0.0022 11069 HIS 69 H 0.0046 0.0004 0.0024 11070 HIS 69 HA 0.0050 0.0004 0.0024 11071 HIS 69 HB2 0.0051 0.0005 0.0025 11072 HIS 69 HB3 0.0054 0.0005 0.0026 11073 HIS 69 HD2 0.0047 -0.0001 0.0022 11074 HIS 69 HE1 0.0055 -0.0005 0.0022 11075 HIS 69 HE2 0.0050 -0.0006 0.0021 11076 GLY 70 N 0.0049 0.0010 0.0027 11077 GLY 70 CA 0.0049 0.0013 0.0028 11078 GLY 70 C 0.0046 0.0015 0.0028 11079 GLY 70 O 0.0046 0.0017 0.0029 11080 GLY 70 H 0.0049 0.0008 0.0026 11081 GLY 70 HA2 0.0051 0.0013 0.0028 11082 GLY 70 HA3 0.0050 0.0014 0.0028 11083 LEU 71 N 0.0044 0.0013 0.0027 11084 LEU 71 CA 0.0041 0.0014 0.0027 11085 LEU 71 C 0.0040 0.0014 0.0027 11086 LEU 71 O 0.0041 0.0012 0.0026 11087 LEU 71 CB 0.0038 0.0013 0.0026 11088 LEU 71 CG 0.0038 0.0013 0.0026 11089 LEU 71 CD1 0.0035 0.0012 0.0025 11090 LEU 71 CD2 0.0038 0.0016 0.0027 11091 LEU 71 H 0.0044 0.0011 0.0026 11092 LEU 71 HA 0.0040 0.0017 0.0028 11093 LEU 71 HB2 0.0038 0.0010 0.0025 11094 LEU 71 HB3 0.0036 0.0014 0.0025 11095 LEU 71 HG 0.0040 0.0012 0.0026 11096 LEU 71 HD11 0.0033 0.0013 0.0025 11097 LEU 71 HD12 0.0035 0.0009 0.0024 11098 LEU 71 HD13 0.0035 0.0012 0.0025 11099 LEU 71 HD21 0.0040 0.0017 0.0028 11100 LEU 71 HD22 0.0036 0.0018 0.0027 11101 LEU 71 HD23 0.0037 0.0017 0.0027 11102 VAL 72 N 0.0039 0.0017 0.0027 11103 VAL 72 CA 0.0038 0.0017 0.0027 11104 VAL 72 C 0.0035 0.0015 0.0026 11105 VAL 72 O 0.0033 0.0014 0.0025 11106 VAL 72 CB 0.0038 0.0020 0.0028 11107 VAL 72 CG1 0.0034 0.0021 0.0028 11108 VAL 72 CG2 0.0039 0.0020 0.0029 11109 VAL 72 H 0.0038 0.0018 0.0028 11110 VAL 72 HA 0.0040 0.0016 0.0027 11111 VAL 72 HB 0.0039 0.0021 0.0029 11112 VAL 72 HG11 0.0034 0.0024 0.0029 11113 VAL 72 HG12 0.0033 0.0020 0.0028 11114 VAL 72 HG13 0.0033 0.0020 0.0027 11115 VAL 72 HG21 0.0042 0.0019 0.0029 11116 VAL 72 HG22 0.0038 0.0019 0.0028 11117 VAL 72 HG23 0.0039 0.0023 0.0030 11118 HIS 73 N 0.0038 0.0025 0.0018 11119 HIS 73 CA 0.0034 0.0022 0.0017 11120 HIS 73 C 0.0028 0.0024 0.0017 11121 HIS 73 O 0.0025 0.0020 0.0016 11122 HIS 73 CB 0.0034 0.0022 0.0017 11123 HIS 73 CG 0.0032 0.0018 0.0016 11124 HIS 73 ND1 0.0035 0.0015 0.0015 11125 HIS 73 CD2 0.0027 0.0015 0.0015 11126 HIS 73 CE1 0.0032 0.0011 0.0014 11127 HIS 73 NE2 0.0027 0.0011 0.0014 11128 HIS 73 H 0.0041 0.0026 0.0018 11129 HIS 73 HA 0.0035 0.0018 0.0016 11130 HIS 73 HB2 0.0038 0.0023 0.0017 11131 HIS 73 HB3 0.0032 0.0026 0.0017 11132 HIS 73 HD1 0.0039 0.0015 0.0016 11133 HIS 73 HD2 0.0024 0.0017 0.0015 11134 HIS 73 HE1 0.0034 0.0008 0.0014 11135 THR 74 N 0.0027 0.0029 0.0018 11136 THR 74 CA 0.0022 0.0031 0.0018 11137 THR 74 C 0.0021 0.0032 0.0018 11138 THR 74 O 0.0017 0.0032 0.0018 11139 THR 74 CB 0.0021 0.0036 0.0019 11140 THR 74 OG1 0.0024 0.0040 0.0020 11141 THR 74 CG2 0.0022 0.0035 0.0019 11142 THR 74 H 0.0030 0.0031 0.0018 11143 THR 74 HA 0.0019 0.0028 0.0017 11144 THR 74 HB 0.0017 0.0037 0.0019 11145 THR 74 HG1 0.0022 0.0042 0.0020 11146 THR 74 HG21 0.0020 0.0032 0.0018 11147 THR 74 HG22 0.0022 0.0038 0.0019 11148 THR 74 HG23 0.0026 0.0033 0.0019 11149 GLU 75 N 0.0026 0.0032 0.0018 11150 GLU 75 CA 0.0025 0.0033 0.0019 11151 GLU 75 C 0.0023 0.0029 0.0018 11152 GLU 75 O 0.0019 0.0030 0.0018 11153 GLU 75 CB 0.0031 0.0035 0.0019 11154 GLU 75 CG 0.0033 0.0040 0.0020 11155 GLU 75 CD 0.0037 0.0042 0.0021 11156 GLU 75 OE1 0.0042 0.0040 0.0021 11157 GLU 75 OE2 0.0036 0.0045 0.0021 11158 GLU 75 H 0.0029 0.0031 0.0018 11159 GLU 75 HA 0.0023 0.0037 0.0019 11160 GLU 75 HB2 0.0034 0.0032 0.0019 11161 GLU 75 HB3 0.0031 0.0034 0.0019 11162 GLU 75 HG2 0.0029 0.0043 0.0021 11163 GLU 75 HG3 0.0034 0.0041 0.0020 11164 VAL 76 N 0.0024 0.0024 0.0017 11165 VAL 76 CA 0.0022 0.0019 0.0016 11166 VAL 76 C 0.0016 0.0019 0.0015 11167 VAL 76 O 0.0013 0.0018 0.0015 11168 VAL 76 CB 0.0025 0.0014 0.0015 11169 VAL 76 CG1 0.0030 0.0014 0.0015 11170 VAL 76 CG2 0.0026 0.0014 0.0015 11171 VAL 76 H 0.0027 0.0023 0.0017 11172 VAL 76 HA 0.0023 0.0020 0.0016 11173 VAL 76 HB 0.0023 0.0011 0.0014 11174 VAL 76 HG11 0.0030 0.0014 0.0015 11175 VAL 76 HG12 0.0032 0.0010 0.0014 11176 VAL 76 HG13 0.0033 0.0017 0.0016 11177 VAL 76 HG21 0.0025 0.0017 0.0015 11178 VAL 76 HG22 0.0030 0.0012 0.0015 11179 VAL 76 HG23 0.0023 0.0011 0.0014 11180 VAL 77 N 0.0015 0.0020 0.0016 11181 VAL 77 CA 0.0009 0.0020 0.0015 11182 VAL 77 C 0.0006 0.0024 0.0016 11183 VAL 77 O 0.0002 0.0022 0.0016 11184 VAL 77 CB 0.0009 0.0021 0.0016 11185 VAL 77 CG1 0.0004 0.0021 0.0015 11186 VAL 77 CG2 0.0012 0.0017 0.0015 11187 VAL 77 H 0.0018 0.0020 0.0016 11188 VAL 77 HA 0.0008 0.0016 0.0014 11189 VAL 77 HB 0.0011 0.0025 0.0016 11190 VAL 77 HG11 0.0003 0.0022 0.0015 11191 VAL 77 HG12 0.0001 0.0018 0.0015 11192 VAL 77 HG13 0.0002 0.0025 0.0016 11193 VAL 77 HG21 0.0013 0.0018 0.0015 11194 VAL 77 HG22 0.0016 0.0015 0.0015 11195 VAL 77 HG23 0.0010 0.0013 0.0014 11196 GLU 78 N 0.0008 0.0028 0.0017 11197 GLU 78 CA 0.0006 0.0033 0.0018 11198 GLU 78 C 0.0005 0.0031 0.0017 11199 GLU 78 O 0.0000 0.0032 0.0017 11200 GLU 78 CB 0.0009 0.0038 0.0019 11201 GLU 78 CG 0.0008 0.0041 0.0019 11202 GLU 78 CD 0.0009 0.0047 0.0021 11203 GLU 78 OE1 0.0005 0.0049 0.0021 11204 GLU 78 OE2 0.0013 0.0049 0.0021 11205 GLU 78 H 0.0012 0.0029 0.0017 11206 GLU 78 HA 0.0002 0.0033 0.0018 11207 GLU 78 HB2 0.0013 0.0037 0.0019 11208 GLU 78 HB3 0.0008 0.0040 0.0019 11209 GLU 78 HG2 0.0003 0.0041 0.0019 11210 GLU 78 HG3 0.0010 0.0040 0.0019 11211 LEU 79 N 0.0008 0.0036 0.0021 11212 LEU 79 CA 0.0009 0.0031 0.0020 11213 LEU 79 C 0.0003 0.0026 0.0016 11214 LEU 79 O -0.0000 0.0025 0.0015 11215 LEU 79 CB 0.0016 0.0026 0.0021 11216 LEU 79 CG 0.0020 0.0027 0.0023 11217 LEU 79 CD1 0.0015 0.0024 0.0021 11218 LEU 79 CD2 0.0021 0.0034 0.0026 11219 LEU 79 H 0.0012 0.0036 0.0023 11220 LEU 79 HA 0.0008 0.0034 0.0021 11221 LEU 79 HB2 0.0019 0.0028 0.0023 11222 LEU 79 HB3 0.0015 0.0021 0.0019 11223 LEU 79 HG 0.0024 0.0023 0.0024 11224 LEU 79 HD11 0.0014 0.0019 0.0018 11225 LEU 79 HD12 0.0018 0.0024 0.0022 11226 LEU 79 HD13 0.0011 0.0028 0.0020 11227 LEU 79 HD21 0.0025 0.0036 0.0028 11228 LEU 79 HD22 0.0017 0.0038 0.0025 11229 LEU 79 HD23 0.0024 0.0034 0.0027 11230 ILE 80 N 0.0002 0.0023 0.0015 11231 ILE 80 CA -0.0004 0.0018 0.0011 11232 ILE 80 C -0.0011 0.0022 0.0010 11233 ILE 80 O -0.0015 0.0020 0.0007 11234 ILE 80 CB -0.0003 0.0015 0.0010 11235 ILE 80 CG1 0.0003 0.0009 0.0011 11236 ILE 80 CG2 -0.0010 0.0012 0.0007 11237 ILE 80 CD1 0.0006 0.0008 0.0012 11238 ILE 80 H 0.0004 0.0024 0.0016 11239 ILE 80 HA -0.0003 0.0014 0.0010 11240 ILE 80 HB -0.0002 0.0019 0.0012 11241 ILE 80 HG12 0.0001 0.0004 0.0009 11242 ILE 80 HG13 0.0007 0.0011 0.0013 11243 ILE 80 HG21 -0.0008 0.0008 0.0006 11244 ILE 80 HG22 -0.0012 0.0010 0.0005 11245 ILE 80 HG23 -0.0013 0.0016 0.0007 11246 ILE 80 HD11 0.0011 0.0004 0.0012 11247 ILE 80 HD12 0.0003 0.0006 0.0010 11248 ILE 80 HD13 0.0008 0.0013 0.0014 11249 LEU 81 N -0.0012 0.0028 0.0011 11250 LEU 81 CA -0.0019 0.0033 0.0009 11251 LEU 81 C -0.0020 0.0035 0.0010 11252 LEU 81 O -0.0026 0.0036 0.0008 11253 LEU 81 CB -0.0019 0.0039 0.0011 11254 LEU 81 CG -0.0018 0.0037 0.0011 11255 LEU 81 CD1 -0.0017 0.0043 0.0014 11256 LEU 81 CD2 -0.0024 0.0033 0.0008 11257 LEU 81 H -0.0009 0.0030 0.0013 11258 LEU 81 HA -0.0023 0.0029 0.0007 11259 LEU 81 HB2 -0.0015 0.0042 0.0014 11260 LEU 81 HB3 -0.0024 0.0042 0.0010 11261 LEU 81 HG -0.0013 0.0033 0.0012 11262 LEU 81 HD11 -0.0012 0.0046 0.0016 11263 LEU 81 HD12 -0.0016 0.0042 0.0014 11264 LEU 81 HD13 -0.0021 0.0047 0.0013 11265 LEU 81 HD21 -0.0029 0.0037 0.0007 11266 LEU 81 HD22 -0.0023 0.0032 0.0008 11267 LEU 81 HD23 -0.0025 0.0029 0.0006 11268 LYS 82 N -0.0015 0.0037 0.0012 11269 LYS 82 CA -0.0015 0.0040 0.0013 11270 LYS 82 C -0.0018 0.0035 0.0011 11271 LYS 82 O -0.0021 0.0037 0.0010 11272 LYS 82 CB -0.0008 0.0042 0.0017 11273 LYS 82 CG -0.0008 0.0047 0.0018 11274 LYS 82 CD -0.0001 0.0047 0.0021 11275 LYS 82 CE 0.0004 0.0050 0.0024 11276 LYS 82 NZ 0.0010 0.0051 0.0027 11277 LYS 82 H -0.0011 0.0037 0.0014 11278 LYS 82 HA -0.0019 0.0045 0.0013 11279 LYS 82 HB2 -0.0006 0.0044 0.0018 11280 LYS 82 HB3 -0.0005 0.0037 0.0016 11281 LYS 82 HG2 -0.0012 0.0046 0.0016 11282 LYS 82 HG3 -0.0010 0.0052 0.0019 11283 LYS 82 HD2 0.0001 0.0041 0.0020 11284 LYS 82 HD3 -0.0001 0.0050 0.0022 11285 LYS 82 HE2 0.0002 0.0055 0.0024 11286 LYS 82 HE3 0.0005 0.0046 0.0023 11287 LYS 82 HZ1 0.0014 0.0053 0.0029 11288 LYS 82 HZ2 0.0009 0.0055 0.0028 11289 LYS 82 HZ3 0.0013 0.0046 0.0026 11290 SER 83 N -0.0015 0.0028 0.0010 11291 SER 83 CA -0.0017 0.0022 0.0007 11292 SER 83 C -0.0025 0.0022 0.0004 11293 SER 83 O -0.0027 0.0022 0.0003 11294 SER 83 CB -0.0014 0.0015 0.0006 11295 SER 83 OG -0.0016 0.0009 0.0004 11296 SER 83 H -0.0012 0.0027 0.0010 11297 SER 83 HA -0.0015 0.0023 0.0008 11298 SER 83 HB2 -0.0008 0.0015 0.0008 11299 SER 83 HB3 -0.0016 0.0015 0.0005 11300 SER 83 HG -0.0019 0.0007 0.0001 11301 GLY 84 N -0.0029 0.0023 0.0003 11302 GLY 84 CA -0.0036 0.0023 -0.0000 11303 GLY 84 C -0.0039 0.0019 -0.0003 11304 GLY 84 O -0.0037 0.0019 -0.0002 11305 GLY 84 H -0.0026 0.0023 0.0004 11306 GLY 84 HA2 -0.0038 0.0029 0.0001 11307 GLY 84 HA3 -0.0037 0.0021 -0.0001 11308 ASN 85 N -0.0044 0.0020 -0.0011 11309 ASN 85 CA -0.0049 0.0016 -0.0016 11310 ASN 85 C -0.0043 0.0009 -0.0016 11311 ASN 85 O -0.0046 0.0005 -0.0020 11312 ASN 85 CB -0.0056 0.0014 -0.0021 11313 ASN 85 CG -0.0053 0.0009 -0.0022 11314 ASN 85 OD1 -0.0051 0.0001 -0.0025 11315 ASN 85 ND2 -0.0054 0.0012 -0.0021 11316 ASN 85 H -0.0045 0.0020 -0.0012 11317 ASN 85 HA -0.0051 0.0021 -0.0015 11318 ASN 85 HB2 -0.0059 0.0011 -0.0024 11319 ASN 85 HB3 -0.0059 0.0020 -0.0020 11320 ASN 85 HD21 -0.0055 0.0018 -0.0019 11321 ASN 85 HD22 -0.0052 0.0009 -0.0021 11322 LYS 86 N -0.0036 0.0007 -0.0013 11323 LYS 86 CA -0.0030 -0.0000 -0.0013 11324 LYS 86 C -0.0022 0.0001 -0.0008 11325 LYS 86 O -0.0021 0.0007 -0.0004 11326 LYS 86 CB -0.0031 -0.0007 -0.0017 11327 LYS 86 CG -0.0031 -0.0006 -0.0017 11328 LYS 86 CD -0.0027 -0.0014 -0.0018 11329 LYS 86 CE -0.0027 -0.0013 -0.0018 11330 LYS 86 NZ -0.0022 -0.0007 -0.0012 11331 LYS 86 H -0.0034 0.0011 -0.0010 11332 LYS 86 HA -0.0032 -0.0001 -0.0014 11333 LYS 86 HB2 -0.0027 -0.0012 -0.0017 11334 LYS 86 HB3 -0.0037 -0.0009 -0.0021 11335 LYS 86 HG2 -0.0037 -0.0004 -0.0019 11336 LYS 86 HG3 -0.0028 -0.0002 -0.0012 11337 LYS 86 HD2 -0.0021 -0.0017 -0.0016 11338 LYS 86 HD3 -0.0031 -0.0019 -0.0023 11339 LYS 86 HE2 -0.0024 -0.0019 -0.0019 11340 LYS 86 HE3 -0.0033 -0.0011 -0.0020 11341 LYS 86 HZ1 -0.0025 -0.0002 -0.0010 11342 LYS 86 HZ2 -0.0021 -0.0007 -0.0011 11343 LYS 86 HZ3 -0.0016 -0.0009 -0.0009 11344 VAL 87 N -0.0017 -0.0005 -0.0007 11345 VAL 87 CA -0.0008 -0.0004 -0.0002 11346 VAL 87 C -0.0003 -0.0012 -0.0003 11347 VAL 87 O -0.0005 -0.0017 -0.0006 11348 VAL 87 CB -0.0007 0.0002 0.0002 11349 VAL 87 CG1 -0.0008 0.0000 0.0001 11350 VAL 87 CG2 0.0001 0.0004 0.0008 11351 VAL 87 H -0.0018 -0.0009 -0.0010 11352 VAL 87 HA -0.0007 -0.0003 -0.0000 11353 VAL 87 HB -0.0011 0.0008 0.0003 11354 VAL 87 HG11 -0.0006 0.0005 0.0004 11355 VAL 87 HG12 -0.0004 -0.0006 -0.0000 11356 VAL 87 HG13 -0.0014 0.0000 -0.0003 11357 VAL 87 HG21 0.0006 -0.0002 0.0008 11358 VAL 87 HG22 0.0003 0.0007 0.0011 11359 VAL 87 HG23 0.0001 0.0007 0.0010 11360 ALA 88 N 0.0004 -0.0014 0.0001 11361 ALA 88 CA 0.0010 -0.0021 0.0000 11362 ALA 88 C 0.0016 -0.0020 0.0005 11363 ALA 88 O 0.0022 -0.0018 0.0009 11364 ALA 88 CB 0.0014 -0.0024 0.0001 11365 ALA 88 H 0.0005 -0.0010 0.0003 11366 ALA 88 HA 0.0007 -0.0026 -0.0004 11367 ALA 88 HB1 0.0010 -0.0026 -0.0002 11368 ALA 88 HB2 0.0019 -0.0030 0.0001 11369 ALA 88 HB3 0.0017 -0.0020 0.0005 11370 ILE 89 N 0.0015 -0.0022 0.0003 11371 ILE 89 CA 0.0021 -0.0021 0.0007 11372 ILE 89 C 0.0027 -0.0029 0.0007 11373 ILE 89 O 0.0026 -0.0036 0.0002 11374 ILE 89 CB 0.0016 -0.0019 0.0005 11375 ILE 89 CG1 0.0022 -0.0020 0.0009 11376 ILE 89 CG2 0.0011 -0.0025 -0.0001 11377 ILE 89 CD1 0.0019 -0.0015 0.0009 11378 ILE 89 H 0.0010 -0.0024 -0.0001 11379 ILE 89 HA 0.0023 -0.0017 0.0011 11380 ILE 89 HB 0.0013 -0.0013 0.0006 11381 ILE 89 HG12 0.0025 -0.0026 0.0007 11382 ILE 89 HG13 0.0027 -0.0017 0.0013 11383 ILE 89 HG21 0.0006 -0.0024 -0.0003 11384 ILE 89 HG22 0.0009 -0.0023 -0.0001 11385 ILE 89 HG23 0.0014 -0.0031 -0.0002 11386 ILE 89 HD11 0.0023 -0.0017 0.0010 11387 ILE 89 HD12 0.0014 -0.0017 0.0005 11388 ILE 89 HD13 0.0018 -0.0009 0.0012 11389 SER 90 N 0.0034 -0.0029 0.0011 11390 SER 90 CA 0.0041 -0.0036 0.0011 11391 SER 90 C 0.0045 -0.0037 0.0013 11392 SER 90 O 0.0048 -0.0032 0.0018 11393 SER 90 CB 0.0046 -0.0035 0.0015 11394 SER 90 OG 0.0050 -0.0043 0.0013 11395 SER 90 H 0.0035 -0.0023 0.0014 11396 SER 90 HA 0.0038 -0.0041 0.0007 11397 SER 90 HB2 0.0044 -0.0031 0.0016 11398 SER 90 HB3 0.0051 -0.0033 0.0019 11399 SER 90 HG 0.0047 -0.0047 0.0010 11400 THR 91 N 0.0070 -0.0060 0.0023 11401 THR 91 CA 0.0040 -0.0040 0.0021 11402 THR 91 C 0.0027 -0.0025 0.0019 11403 THR 91 O 0.0044 -0.0028 0.0017 11404 THR 91 CB 0.0048 -0.0013 0.0011 11405 THR 91 OG1 0.0078 0.0003 0.0002 11406 THR 91 CG2 0.0054 -0.0026 0.0015 11407 THR 91 H 0.0092 -0.0050 0.0017 11408 THR 91 HA 0.0021 -0.0054 0.0029 11409 THR 91 HB 0.0027 0.0005 0.0009 11410 THR 91 HG1 0.0072 0.0026 -0.0005 11411 THR 91 HG21 0.0077 -0.0041 0.0016 11412 THR 91 HG22 0.0034 -0.0040 0.0023 11413 THR 91 HG23 0.0057 -0.0006 0.0008 11414 THR 92 N -0.0003 -0.0010 0.0018 11415 THR 92 CA -0.0017 0.0004 0.0016 11416 THR 92 C -0.0017 0.0041 0.0004 11417 THR 92 O -0.0037 0.0057 0.0002 11418 THR 92 CB -0.0053 -0.0007 0.0026 11419 THR 92 OG1 -0.0067 0.0007 0.0023 11420 THR 92 CG2 -0.0076 0.0001 0.0027 11421 THR 92 H -0.0015 -0.0007 0.0020 11422 THR 92 HA -0.0001 -0.0005 0.0017 11423 THR 92 HB -0.0051 -0.0033 0.0034 11424 THR 92 HG1 -0.0059 0.0028 0.0015 11425 THR 92 HG21 -0.0079 0.0027 0.0019 11426 THR 92 HG22 -0.0065 -0.0009 0.0028 11427 THR 92 HG23 -0.0100 -0.0009 0.0034 11428 PRO 93 N 0.0006 0.0055 -0.0004 11429 PRO 93 CA 0.0008 0.0090 -0.0016 11430 PRO 93 C -0.0025 0.0107 -0.0016 11431 PRO 93 O -0.0050 0.0092 -0.0007 11432 PRO 93 CB 0.0034 0.0095 -0.0021 11433 PRO 93 CG 0.0055 0.0064 -0.0015 11434 PRO 93 CD 0.0034 0.0038 -0.0003 11435 PRO 93 HA 0.0017 0.0101 -0.0021 11436 PRO 93 HB2 0.0021 0.0098 -0.0020 11437 PRO 93 HB3 0.0048 0.0116 -0.0030 11438 PRO 93 HG2 0.0065 0.0059 -0.0015 11439 PRO 93 HG3 0.0076 0.0067 -0.0019 11440 PRO 93 HD2 0.0025 0.0025 0.0003 11441 PRO 93 HD3 0.0048 0.0021 0.0000 11442 LEU 94 N -0.0026 0.0139 -0.0026 11443 LEU 94 CA -0.0056 0.0159 -0.0028 11444 LEU 94 C -0.0065 0.0155 -0.0025 11445 LEU 94 O -0.0045 0.0144 -0.0025 11446 LEU 94 CB -0.0051 0.0195 -0.0041 11447 LEU 94 CG -0.0019 0.0201 -0.0048 11448 LEU 94 CD1 0.0010 0.0204 -0.0053 11449 LEU 94 CD2 -0.0024 0.0231 -0.0057 11450 LEU 94 H -0.0006 0.0150 -0.0033 11451 LEU 94 HA -0.0077 0.0151 -0.0022 11452 LEU 94 HB2 -0.0050 0.0207 -0.0045 11453 LEU 94 HB3 -0.0071 0.0204 -0.0040 11454 LEU 94 HG -0.0013 0.0181 -0.0042 11455 LEU 94 HD11 0.0021 0.0181 -0.0047 11456 LEU 94 HD12 0.0028 0.0220 -0.0061 11457 LEU 94 HD13 -0.0000 0.0214 -0.0055 11458 LEU 94 HD21 -0.0043 0.0228 -0.0053 11459 LEU 94 HD22 -0.0031 0.0252 -0.0062 11460 LEU 94 HD23 -0.0001 0.0236 -0.0062 11461 GLU 95 N -0.0096 0.0165 -0.0024 11462 GLU 95 CA -0.0108 0.0162 -0.0021 11463 GLU 95 C -0.0137 0.0187 -0.0024 11464 GLU 95 O -0.0147 0.0205 -0.0029 11465 GLU 95 CB -0.0120 0.0128 -0.0008 11466 GLU 95 CG -0.0152 0.0120 -0.0000 11467 GLU 95 CD -0.0149 0.0115 0.0001 11468 GLU 95 OE1 -0.0137 0.0089 0.0008 11469 GLU 95 OE2 -0.0158 0.0138 -0.0005 11470 GLU 95 H -0.0111 0.0175 -0.0025 11471 GLU 95 HA -0.0088 0.0167 -0.0026 11472 GLU 95 HB2 -0.0123 0.0125 -0.0006 11473 GLU 95 HB3 -0.0100 0.0111 -0.0005 11474 GLU 95 HG2 -0.0171 0.0139 -0.0004 11475 GLU 95 HG3 -0.0161 0.0098 0.0008 11476 ASN 96 N -0.0150 0.0188 -0.0023 11477 ASN 96 CA -0.0178 0.0210 -0.0025 11478 ASN 96 C -0.0211 0.0199 -0.0017 11479 ASN 96 O -0.0212 0.0170 -0.0007 11480 ASN 96 CB -0.0180 0.0213 -0.0026 11481 ASN 96 CG -0.0196 0.0184 -0.0014 11482 ASN 96 OD1 -0.0226 0.0184 -0.0009 11483 ASN 96 ND2 -0.0175 0.0160 -0.0010 11484 ASN 96 OXT -0.0235 0.0219 -0.0019 11485 ASN 96 H -0.0141 0.0173 -0.0019 11486 ASN 96 HA -0.0173 0.0233 -0.0034 11487 ASN 96 HB2 -0.0195 0.0235 -0.0031 11488 ASN 96 HB3 -0.0155 0.0215 -0.0031 11489 ASN 96 HD21 -0.0151 0.0162 -0.0014 11490 ASN 96 HD22 -0.0184 0.0142 -0.0002 11491 SER 101 N -0.0001 0.0033 0.0065 11492 SER 101 CA -0.0007 0.0034 0.0062 11493 SER 101 C -0.0008 0.0031 0.0049 11494 SER 101 O -0.0017 0.0033 0.0044 11495 SER 101 CB -0.0002 0.0034 0.0068 11496 SER 101 OG 0.0001 0.0036 0.0079 11497 SER 101 H1 -0.0006 0.0034 0.0062 11498 SER 101 H2 -0.0000 0.0035 0.0073 11499 SER 101 H3 0.0006 0.0030 0.0061 11500 SER 101 HA -0.0016 0.0037 0.0064 11501 SER 101 HB2 0.0005 0.0030 0.0064 11502 SER 101 HB3 -0.0007 0.0035 0.0067 11503 SER 101 HG -0.0002 0.0038 0.0084 11504 TRP 102 N 0.0001 0.0027 0.0044 11505 TRP 102 CA 0.0001 0.0023 0.0033 11506 TRP 102 C 0.0009 0.0020 0.0028 11507 TRP 102 O 0.0016 0.0019 0.0034 11508 TRP 102 CB 0.0004 0.0022 0.0030 11509 TRP 102 CG 0.0016 0.0019 0.0033 11510 TRP 102 CD1 0.0025 0.0014 0.0026 11511 TRP 102 CD2 0.0021 0.0020 0.0043 11512 TRP 102 NE1 0.0034 0.0013 0.0032 11513 TRP 102 CE2 0.0032 0.0016 0.0042 11514 TRP 102 CE3 0.0017 0.0024 0.0053 11515 TRP 102 CZ2 0.0039 0.0016 0.0050 11516 TRP 102 CZ3 0.0024 0.0024 0.0061 11517 TRP 102 CH2 0.0035 0.0020 0.0060 11518 TRP 102 H 0.0008 0.0026 0.0049 11519 TRP 102 HA -0.0007 0.0025 0.0029 11520 TRP 102 HB2 0.0003 0.0020 0.0021 11521 TRP 102 HB3 -0.0000 0.0025 0.0034 11522 TRP 102 HD1 0.0024 0.0012 0.0018 11523 TRP 102 HE1 0.0041 0.0009 0.0029 11524 TRP 102 HE3 0.0008 0.0027 0.0054 11525 TRP 102 HZ2 0.0048 0.0013 0.0050 11526 TRP 102 HZ3 0.0021 0.0027 0.0069 11527 TRP 102 HH2 0.0040 0.0020 0.0067 11528 GLU 103 N 0.0008 0.0017 0.0017 11529 GLU 103 CA 0.0015 0.0013 0.0012 11530 GLU 103 C 0.0027 0.0010 0.0013 11531 GLU 103 O 0.0034 0.0009 0.0020 11532 GLU 103 CB 0.0012 0.0011 -0.0000 11533 GLU 103 CG 0.0002 0.0014 -0.0003 11534 GLU 103 CD -0.0007 0.0019 0.0004 11535 GLU 103 OE1 -0.0011 0.0020 0.0005 11536 GLU 103 OE2 -0.0012 0.0021 0.0008 11537 GLU 103 H 0.0003 0.0018 0.0013 11538 GLU 103 HA 0.0015 0.0015 0.0016 11539 GLU 103 HB2 0.0009 0.0012 -0.0003 11540 GLU 103 HB3 0.0018 0.0008 -0.0005 11541 GLU 103 HG2 -0.0000 0.0012 -0.0012 11542 GLU 103 HG3 0.0005 0.0013 -0.0001 11543 SER 104 N 0.0030 0.0008 0.0007 11544 SER 104 CA 0.0041 0.0004 0.0008 11545 SER 104 C 0.0041 0.0003 0.0004 11546 SER 104 O 0.0033 0.0005 -0.0000 11547 SER 104 CB 0.0048 0.0000 0.0001 11548 SER 104 OG 0.0042 -0.0000 -0.0008 11549 SER 104 H 0.0024 0.0008 0.0003 11550 SER 104 HA 0.0044 0.0005 0.0017 11551 SER 104 HB2 0.0054 -0.0003 -0.0002 11552 SER 104 HB3 0.0051 0.0000 0.0006 11553 SER 104 HG 0.0041 -0.0000 -0.0007 11554 HIS 105 N 0.0050 0.0001 0.0006 11555 HIS 105 CA 0.0052 -0.0001 0.0003 11556 HIS 105 C 0.0059 -0.0006 -0.0006 11557 HIS 105 O 0.0069 -0.0009 -0.0005 11558 HIS 105 CB 0.0057 0.0000 0.0013 11559 HIS 105 CG 0.0061 -0.0002 0.0011 11560 HIS 105 ND1 0.0070 -0.0003 0.0017 11561 HIS 105 CD2 0.0057 -0.0003 0.0003 11562 HIS 105 CE1 0.0071 -0.0005 0.0012 11563 HIS 105 NE2 0.0064 -0.0005 0.0004 11564 HIS 105 H 0.0056 -0.0000 0.0010 11565 HIS 105 HA 0.0044 0.0001 0.0000 11566 HIS 105 HB2 0.0051 0.0004 0.0019 11567 HIS 105 HB3 0.0064 -0.0001 0.0017 11568 HIS 105 HD2 0.0050 -0.0002 -0.0004 11569 HIS 105 HE1 0.0077 -0.0006 0.0015 11570 HIS 105 HE2 0.0065 -0.0006 -0.0002 11571 LYS 106 N 0.0055 -0.0007 -0.0016 11572 LYS 106 CA 0.0061 -0.0012 -0.0026 11573 LYS 106 C 0.0058 -0.0012 -0.0033 11574 LYS 106 O 0.0060 -0.0015 -0.0042 11575 LYS 106 CB 0.0058 -0.0013 -0.0034 11576 LYS 106 CG 0.0068 -0.0016 -0.0035 11577 LYS 106 CD 0.0072 -0.0015 -0.0024 11578 LYS 106 CE 0.0082 -0.0018 -0.0025 11579 LYS 106 NZ 0.0086 -0.0017 -0.0015 11580 LYS 106 H 0.0047 -0.0005 -0.0017 11581 LYS 106 HA 0.0069 -0.0014 -0.0023 11582 LYS 106 HB2 0.0052 -0.0010 -0.0030 11583 LYS 106 HB3 0.0055 -0.0014 -0.0042 11584 LYS 106 HG2 0.0066 -0.0017 -0.0041 11585 LYS 106 HG3 0.0075 -0.0019 -0.0037 11586 LYS 106 HD2 0.0073 -0.0013 -0.0018 11587 LYS 106 HD3 0.0066 -0.0012 -0.0022 11588 LYS 106 HE2 0.0081 -0.0020 -0.0032 11589 LYS 106 HE3 0.0089 -0.0021 -0.0027 11590 LYS 106 HZ1 0.0087 -0.0015 -0.0008 11591 LYS 106 HZ2 0.0093 -0.0019 -0.0016 11592 LYS 106 HZ3 0.0080 -0.0015 -0.0014 11593 SER 107 N 0.0042 0.0015 0.0003 11594 SER 107 CA 0.0039 0.0017 0.0001 11595 SER 107 C 0.0037 0.0016 0.0002 11596 SER 107 O 0.0035 0.0014 0.0004 11597 SER 107 CB 0.0037 0.0017 0.0001 11598 SER 107 OG 0.0039 0.0017 0.0001 11599 SER 107 H 0.0041 0.0013 0.0004 11600 SER 107 HA 0.0040 0.0018 -0.0000 11601 SER 107 HB2 0.0036 0.0015 0.0003 11602 SER 107 HB3 0.0035 0.0018 0.0000 11603 SER 107 HG 0.0040 0.0019 -0.0001 11604 GLY 108 N 0.0037 0.0017 0.0001 11605 GLY 108 CA 0.0035 0.0017 0.0001 11606 GLY 108 C 0.0037 0.0015 0.0002 11607 GLY 108 O 0.0039 0.0014 0.0004 11608 GLY 108 H 0.0039 0.0019 -0.0001 11609 GLY 108 HA2 0.0035 0.0019 -0.0001 11610 GLY 108 HA3 0.0033 0.0017 0.0002 11611 GLY 109 N 0.0036 0.0015 0.0003 11612 GLY 109 CA 0.0037 0.0014 0.0004 11613 GLY 109 C 0.0036 0.0011 0.0006 11614 GLY 109 O 0.0036 0.0010 0.0007 11615 GLY 109 H 0.0034 0.0016 0.0002 11616 GLY 109 HA2 0.0040 0.0013 0.0004 11617 GLY 109 HA3 0.0037 0.0014 0.0003 11618 GLU 110 N 0.0034 0.0010 0.0007 11619 GLU 110 CA 0.0032 0.0008 0.0009 11620 GLU 110 C 0.0029 0.0008 0.0009 11621 GLU 110 O 0.0028 0.0007 0.0010 11622 GLU 110 CB 0.0034 0.0006 0.0010 11623 GLU 110 CG 0.0038 0.0006 0.0011 11624 GLU 110 CD 0.0039 0.0004 0.0013 11625 GLU 110 OE1 0.0038 0.0002 0.0014 11626 GLU 110 OE2 0.0042 0.0004 0.0013 11627 GLU 110 H 0.0033 0.0012 0.0006 11628 GLU 110 HA 0.0032 0.0008 0.0009 11629 GLU 110 HB2 0.0035 0.0007 0.0010 11630 GLU 110 HB3 0.0033 0.0005 0.0012 11631 GLU 110 HG2 0.0037 0.0005 0.0011 11632 GLU 110 HG3 0.0039 0.0007 0.0009 11633 THR 111 N 0.0027 0.0010 0.0007 11634 THR 111 CA 0.0024 0.0011 0.0007 11635 THR 111 C 0.0022 0.0009 0.0009 11636 THR 111 O 0.0022 0.0008 0.0010 11637 THR 111 CB 0.0023 0.0013 0.0005 11638 THR 111 OG1 0.0025 0.0015 0.0003 11639 THR 111 CG2 0.0020 0.0014 0.0004 11640 THR 111 H 0.0028 0.0011 0.0006 11641 THR 111 HA 0.0024 0.0011 0.0007 11642 THR 111 HB 0.0022 0.0013 0.0005 11643 THR 111 HG1 0.0027 0.0014 0.0004 11644 THR 111 HG21 0.0020 0.0014 0.0004 11645 THR 111 HG22 0.0018 0.0013 0.0005 11646 THR 111 HG23 0.0019 0.0016 0.0003 11647 ARG 112 N 0.0020 0.0008 0.0009 11648 ARG 112 CA 0.0017 0.0007 0.0011 11649 ARG 112 C 0.0014 0.0007 0.0010 11650 ARG 112 O 0.0014 0.0009 0.0009 11651 ARG 112 CB 0.0018 0.0004 0.0013 11652 ARG 112 CG 0.0019 0.0005 0.0012 11653 ARG 112 CD 0.0021 0.0003 0.0014 11654 ARG 112 NE 0.0024 0.0003 0.0013 11655 ARG 112 CZ 0.0027 0.0002 0.0015 11656 ARG 112 NH1 0.0026 -0.0000 0.0017 11657 ARG 112 NH2 0.0029 0.0002 0.0014 11658 ARG 112 H 0.0019 0.0009 0.0008 11659 ARG 112 HA 0.0017 0.0006 0.0011 11660 ARG 112 HB2 0.0017 0.0003 0.0014 11661 ARG 112 HB3 0.0021 0.0004 0.0013 11662 ARG 112 HG2 0.0019 0.0006 0.0011 11663 ARG 112 HG3 0.0016 0.0004 0.0013 11664 ARG 112 HD2 0.0021 0.0003 0.0014 11665 ARG 112 HD3 0.0020 0.0001 0.0016 11666 ARG 112 HE 0.0025 0.0005 0.0012 11667 ARG 112 HH11 0.0024 -0.0001 0.0017 11668 ARG 112 HH12 0.0028 -0.0001 0.0018 11669 ARG 112 HH21 0.0030 0.0004 0.0013 11670 ARG 112 HH22 0.0031 0.0001 0.0015 11671 LEU 113 N -0.0000 0.0017 0.0009 11672 LEU 113 CA -0.0006 0.0016 0.0006 11673 LEU 113 C -0.0011 0.0013 0.0004 11674 LEU 113 O -0.0015 0.0010 0.0002 11675 LEU 113 CB -0.0004 0.0012 0.0007 11676 LEU 113 CG -0.0000 0.0015 0.0009 11677 LEU 113 CD1 -0.0003 0.0022 0.0008 11678 LEU 113 CD2 0.0007 0.0016 0.0012 11679 LEU 113 OXT -0.0011 0.0014 0.0004 11680 LEU 113 H 0.0002 0.0012 0.0010 11681 LEU 113 HA -0.0007 0.0021 0.0006 11682 LEU 113 HB2 -0.0002 0.0007 0.0007 11683 LEU 113 HB3 -0.0008 0.0011 0.0005 11684 LEU 113 HG -0.0000 0.0012 0.0009 11685 LEU 113 HD11 -0.0008 0.0022 0.0006 11686 LEU 113 HD12 -0.0000 0.0024 0.0010 11687 LEU 113 HD13 -0.0002 0.0026 0.0009 11688 LEU 113 HD21 0.0008 0.0010 0.0012 11689 LEU 113 HD22 0.0007 0.0019 0.0013 11690 LEU 113 HD23 0.0009 0.0018 0.0014 11691 GLY 1 N -0.0124 0.0002 0.0120 11692 GLY 1 CA -0.0110 -0.0008 0.0115 11693 GLY 1 C -0.0078 -0.0014 0.0091 11694 GLY 1 O -0.0069 -0.0002 0.0075 11695 GLY 1 H1 -0.0146 0.0007 0.0136 11696 GLY 1 H2 -0.0116 -0.0015 0.0124 11697 GLY 1 H3 -0.0121 0.0022 0.0104 11698 GLY 1 HA2 -0.0119 0.0009 0.0111 11699 GLY 1 HA3 -0.0112 -0.0030 0.0131 11700 GLY 2 N -0.0062 -0.0033 0.0090 11701 GLY 2 CA -0.0031 -0.0041 0.0068 11702 GLY 2 C -0.0015 -0.0073 0.0076 11703 GLY 2 O -0.0028 -0.0089 0.0097 11704 GLY 2 H -0.0070 -0.0043 0.0103 11705 GLY 2 HA2 -0.0025 -0.0039 0.0061 11706 GLY 2 HA3 -0.0027 -0.0024 0.0053 11707 SER 3 N 0.0013 -0.0084 0.0058 11708 SER 3 CA 0.0031 -0.0115 0.0063 11709 SER 3 C 0.0057 -0.0113 0.0039 11710 SER 3 O 0.0065 -0.0091 0.0018 11711 SER 3 CB 0.0040 -0.0137 0.0070 11712 SER 3 OG 0.0017 -0.0135 0.0089 11713 SER 3 H 0.0022 -0.0070 0.0042 11714 SER 3 HA 0.0019 -0.0123 0.0079 11715 SER 3 HB2 0.0056 -0.0132 0.0053 11716 SER 3 HB3 0.0049 -0.0161 0.0078 11717 SER 3 HG 0.0004 -0.0142 0.0105 11718 MET 4 N 0.0070 -0.0136 0.0043 11719 MET 4 CA 0.0095 -0.0138 0.0022 11720 MET 4 C 0.0089 -0.0109 0.0009 11721 MET 4 O 0.0096 -0.0087 -0.0012 11722 MET 4 CB 0.0120 -0.0140 0.0003 11723 MET 4 CG 0.0131 -0.0170 0.0013 11724 MET 4 SD 0.0159 -0.0172 -0.0010 11725 MET 4 CE 0.0186 -0.0172 -0.0034 11726 MET 4 H 0.0062 -0.0152 0.0061 11727 MET 4 HA 0.0101 -0.0158 0.0031 11728 MET 4 HB2 0.0113 -0.0121 -0.0004 11729 MET 4 HB3 0.0137 -0.0138 -0.0014 11730 MET 4 HG2 0.0138 -0.0190 0.0020 11731 MET 4 HG3 0.0114 -0.0172 0.0030 11732 MET 4 HE1 0.0179 -0.0150 -0.0043 11733 MET 4 HE2 0.0206 -0.0176 -0.0049 11734 MET 4 HE3 0.0190 -0.0191 -0.0024 11735 ARG 5 N 0.0074 -0.0109 0.0022 11736 ARG 5 CA 0.0067 -0.0084 0.0011 11737 ARG 5 C 0.0093 -0.0085 -0.0011 11738 ARG 5 O 0.0109 -0.0111 -0.0008 11739 ARG 5 CB 0.0043 -0.0085 0.0033 11740 ARG 5 CG 0.0014 -0.0075 0.0052 11741 ARG 5 CD 0.0010 -0.0101 0.0072 11742 ARG 5 NE -0.0018 -0.0092 0.0090 11743 ARG 5 CZ -0.0029 -0.0112 0.0113 11744 ARG 5 NH1 -0.0014 -0.0142 0.0121 11745 ARG 5 NH2 -0.0054 -0.0101 0.0128 11746 ARG 5 H 0.0069 -0.0127 0.0039 11747 ARG 5 HA 0.0059 -0.0062 0.0004 11748 ARG 5 HB2 0.0049 -0.0109 0.0044 11749 ARG 5 HB3 0.0042 -0.0070 0.0024 11750 ARG 5 HG2 -0.0002 -0.0069 0.0061 11751 ARG 5 HG3 0.0011 -0.0055 0.0041 11752 ARG 5 HD2 0.0026 -0.0108 0.0063 11753 ARG 5 HD3 0.0013 -0.0121 0.0083 11754 ARG 5 HE -0.0029 -0.0069 0.0085 11755 ARG 5 HH11 0.0005 -0.0151 0.0110 11756 ARG 5 HH12 -0.0023 -0.0157 0.0139 11757 ARG 5 HH21 -0.0065 -0.0078 0.0122 11758 ARG 5 HH22 -0.0063 -0.0116 0.0146 11759 PRO 6 N 0.0098 -0.0059 -0.0033 11760 PRO 6 CA 0.0123 -0.0057 -0.0055 11761 PRO 6 C 0.0118 -0.0051 -0.0056 11762 PRO 6 O 0.0099 -0.0026 -0.0056 11763 PRO 6 CB 0.0127 -0.0030 -0.0078 11764 PRO 6 CG 0.0102 -0.0015 -0.0066 11765 PRO 6 CD 0.0080 -0.0028 -0.0038 11766 PRO 6 HA 0.0141 -0.0079 -0.0057 11767 PRO 6 HB2 0.0128 -0.0013 -0.0090 11768 PRO 6 HB3 0.0147 -0.0038 -0.0089 11769 PRO 6 HG2 0.0094 0.0010 -0.0076 11770 PRO 6 HG3 0.0108 -0.0022 -0.0067 11771 PRO 6 HD2 0.0068 -0.0014 -0.0037 11772 PRO 6 HD3 0.0067 -0.0028 -0.0026 11773 PRO 7 N 0.0043 -0.0053 -0.0005 11774 PRO 7 CA 0.0036 -0.0045 -0.0004 11775 PRO 7 C 0.0027 -0.0048 -0.0010 11776 PRO 7 O 0.0024 -0.0052 -0.0014 11777 PRO 7 CB 0.0035 -0.0040 -0.0001 11778 PRO 7 CG 0.0043 -0.0043 0.0001 11779 PRO 7 CD 0.0046 -0.0053 -0.0004 11780 PRO 7 HA 0.0038 -0.0042 -0.0002 11781 PRO 7 HB2 0.0029 -0.0040 -0.0005 11782 PRO 7 HB3 0.0035 -0.0033 0.0002 11783 PRO 7 HG2 0.0042 -0.0042 0.0000 11784 PRO 7 HG3 0.0049 -0.0040 0.0005 11785 PRO 7 HD2 0.0042 -0.0056 -0.0007 11786 PRO 7 HD3 0.0053 -0.0055 -0.0001 11787 ILE 8 N 0.0023 -0.0045 -0.0011 11788 ILE 8 CA 0.0015 -0.0046 -0.0016 11789 ILE 8 C 0.0008 -0.0039 -0.0015 11790 ILE 8 O 0.0007 -0.0032 -0.0011 11791 ILE 8 CB 0.0014 -0.0047 -0.0017 11792 ILE 8 CG1 0.0023 -0.0052 -0.0015 11793 ILE 8 CG2 0.0008 -0.0052 -0.0023 11794 ILE 8 CD1 0.0025 -0.0048 -0.0011 11795 ILE 8 H 0.0027 -0.0042 -0.0007 11796 ILE 8 HA 0.0014 -0.0052 -0.0020 11797 ILE 8 HB 0.0012 -0.0041 -0.0014 11798 ILE 8 HG12 0.0023 -0.0058 -0.0018 11799 ILE 8 HG13 0.0028 -0.0051 -0.0012 11800 ILE 8 HG21 0.0002 -0.0051 -0.0025 11801 ILE 8 HG22 0.0005 -0.0050 -0.0023 11802 ILE 8 HG23 0.0011 -0.0059 -0.0025 11803 ILE 8 HD11 0.0027 -0.0042 -0.0007 11804 ILE 8 HD12 0.0031 -0.0053 -0.0011 11805 ILE 8 HD13 0.0020 -0.0047 -0.0014 11806 ILE 9 N 0.0003 -0.0041 -0.0019 11807 ILE 9 CA -0.0004 -0.0034 -0.0018 11808 ILE 9 C -0.0012 -0.0032 -0.0021 11809 ILE 9 O -0.0018 -0.0036 -0.0027 11810 ILE 9 CB -0.0006 -0.0036 -0.0021 11811 ILE 9 CG1 0.0002 -0.0042 -0.0020 11812 ILE 9 CG2 -0.0011 -0.0028 -0.0019 11813 ILE 9 CD1 0.0008 -0.0037 -0.0014 11814 ILE 9 H 0.0004 -0.0047 -0.0021 11815 ILE 9 HA -0.0001 -0.0028 -0.0014 11816 ILE 9 HB -0.0011 -0.0040 -0.0026 11817 ILE 9 HG12 0.0005 -0.0047 -0.0021 11818 ILE 9 HG13 -0.0001 -0.0044 -0.0023 11819 ILE 9 HG21 -0.0017 -0.0025 -0.0020 11820 ILE 9 HG22 -0.0012 -0.0030 -0.0020 11821 ILE 9 HG23 -0.0006 -0.0024 -0.0014 11822 ILE 9 HD11 0.0013 -0.0041 -0.0013 11823 ILE 9 HD12 0.0011 -0.0034 -0.0011 11824 ILE 9 HD13 0.0005 -0.0031 -0.0012 11825 ILE 10 N -0.0013 -0.0025 -0.0018 11826 ILE 10 CA -0.0021 -0.0022 -0.0020 11827 ILE 10 C -0.0028 -0.0018 -0.0021 11828 ILE 10 O -0.0027 -0.0015 -0.0019 11829 ILE 10 CB -0.0020 -0.0016 -0.0016 11830 ILE 10 CG1 -0.0011 -0.0020 -0.0014 11831 ILE 10 CG2 -0.0028 -0.0014 -0.0019 11832 ILE 10 CD1 -0.0007 -0.0013 -0.0008 11833 ILE 10 H -0.0008 -0.0022 -0.0014 11834 ILE 10 HA -0.0023 -0.0028 -0.0024 11835 ILE 10 HB -0.0019 -0.0010 -0.0012 11836 ILE 10 HG12 -0.0013 -0.0022 -0.0017 11837 ILE 10 HG13 -0.0007 -0.0025 -0.0015 11838 ILE 10 HG21 -0.0026 -0.0012 -0.0017 11839 ILE 10 HG22 -0.0030 -0.0020 -0.0024 11840 ILE 10 HG23 -0.0033 -0.0010 -0.0019 11841 ILE 10 HD11 -0.0003 -0.0011 -0.0005 11842 ILE 10 HD12 -0.0002 -0.0015 -0.0007 11843 ILE 10 HD13 -0.0011 -0.0007 -0.0007 11844 HIS 11 N -0.0036 -0.0017 -0.0025 11845 HIS 11 CA -0.0044 -0.0012 -0.0026 11846 HIS 11 C -0.0050 -0.0007 -0.0026 11847 HIS 11 O -0.0054 -0.0010 -0.0030 11848 HIS 11 CB -0.0048 -0.0018 -0.0032 11849 HIS 11 CG -0.0056 -0.0014 -0.0034 11850 HIS 11 ND1 -0.0065 -0.0014 -0.0038 11851 HIS 11 CD2 -0.0057 -0.0010 -0.0032 11852 HIS 11 CE1 -0.0070 -0.0009 -0.0038 11853 HIS 11 NE2 -0.0065 -0.0007 -0.0034 11854 HIS 11 H -0.0037 -0.0019 -0.0027 11855 HIS 11 HA -0.0041 -0.0008 -0.0023 11856 HIS 11 HB2 -0.0044 -0.0022 -0.0032 11857 HIS 11 HB3 -0.0051 -0.0023 -0.0036 11858 HIS 11 HD2 -0.0051 -0.0009 -0.0028 11859 HIS 11 HE1 -0.0077 -0.0008 -0.0041 11860 HIS 11 HE2 -0.0068 -0.0005 -0.0034 11861 ARG 12 N -0.0051 0.0002 -0.0022 11862 ARG 12 CA -0.0057 0.0008 -0.0021 11863 ARG 12 C -0.0067 0.0007 -0.0027 11864 ARG 12 O -0.0071 0.0009 -0.0028 11865 ARG 12 CB -0.0056 0.0017 -0.0016 11866 ARG 12 CG -0.0060 0.0024 -0.0014 11867 ARG 12 CD -0.0058 0.0032 -0.0008 11868 ARG 12 NE -0.0062 0.0039 -0.0006 11869 ARG 12 CZ -0.0066 0.0047 -0.0003 11870 ARG 12 NH1 -0.0065 0.0049 -0.0002 11871 ARG 12 NH2 -0.0070 0.0053 -0.0002 11872 ARG 12 H -0.0048 0.0004 -0.0019 11873 ARG 12 HA -0.0055 0.0007 -0.0021 11874 ARG 12 HB2 -0.0050 0.0017 -0.0012 11875 ARG 12 HB3 -0.0060 0.0019 -0.0017 11876 ARG 12 HG2 -0.0067 0.0025 -0.0017 11877 ARG 12 HG3 -0.0057 0.0022 -0.0014 11878 ARG 12 HD2 -0.0051 0.0032 -0.0005 11879 ARG 12 HD3 -0.0060 0.0034 -0.0008 11880 ARG 12 HE -0.0063 0.0038 -0.0007 11881 ARG 12 HH11 -0.0063 0.0045 -0.0003 11882 ARG 12 HH12 -0.0068 0.0055 -0.0000 11883 ARG 12 HH21 -0.0070 0.0052 -0.0003 11884 ARG 12 HH22 -0.0072 0.0059 0.0000 11885 ALA 13 N -0.0076 -0.0003 -0.0031 11886 ALA 13 CA -0.0087 -0.0005 -0.0037 11887 ALA 13 C -0.0093 0.0005 -0.0037 11888 ALA 13 O -0.0098 0.0005 -0.0040 11889 ALA 13 CB -0.0086 -0.0015 -0.0040 11890 ALA 13 H -0.0070 -0.0006 -0.0029 11891 ALA 13 HA -0.0090 -0.0008 -0.0040 11892 ALA 13 HB1 -0.0085 -0.0012 -0.0038 11893 ALA 13 HB2 -0.0080 -0.0021 -0.0039 11894 ALA 13 HB3 -0.0094 -0.0018 -0.0045 11895 GLY 14 N -0.0093 0.0015 -0.0035 11896 GLY 14 CA -0.0099 0.0025 -0.0034 11897 GLY 14 C -0.0095 0.0030 -0.0031 11898 GLY 14 O -0.0100 0.0037 -0.0031 11899 GLY 14 H -0.0089 0.0014 -0.0033 11900 GLY 14 HA2 -0.0099 0.0032 -0.0033 11901 GLY 14 HA3 -0.0107 0.0024 -0.0039 11902 LYS 15 N -0.0084 0.0027 -0.0027 11903 LYS 15 CA -0.0079 0.0031 -0.0023 11904 LYS 15 C -0.0067 0.0032 -0.0017 11905 LYS 15 O -0.0064 0.0041 -0.0013 11906 LYS 15 CB -0.0081 0.0024 -0.0026 11907 LYS 15 CG -0.0081 0.0011 -0.0030 11908 LYS 15 CD -0.0079 0.0004 -0.0031 11909 LYS 15 CE -0.0090 0.0004 -0.0036 11910 LYS 15 NZ -0.0088 -0.0004 -0.0038 11911 LYS 15 H -0.0080 0.0022 -0.0026 11912 LYS 15 HA -0.0083 0.0040 -0.0022 11913 LYS 15 HB2 -0.0074 0.0025 -0.0023 11914 LYS 15 HB3 -0.0088 0.0027 -0.0029 11915 LYS 15 HG2 -0.0088 0.0010 -0.0034 11916 LYS 15 HG3 -0.0074 0.0009 -0.0027 11917 LYS 15 HD2 -0.0076 -0.0004 -0.0032 11918 LYS 15 HD3 -0.0073 0.0008 -0.0027 11919 LYS 15 HE2 -0.0092 0.0013 -0.0035 11920 LYS 15 HE3 -0.0096 0.0002 -0.0039 11921 LYS 15 HZ1 -0.0083 -0.0001 -0.0034 11922 LYS 15 HZ2 -0.0086 -0.0012 -0.0039 11923 LYS 15 HZ3 -0.0096 -0.0004 -0.0041 11924 LYS 16 N -0.0061 0.0022 -0.0017 11925 LYS 16 CA -0.0049 0.0022 -0.0012 11926 LYS 16 C -0.0044 0.0010 -0.0013 11927 LYS 16 O -0.0050 0.0002 -0.0018 11928 LYS 16 CB -0.0044 0.0026 -0.0008 11929 LYS 16 CG -0.0047 0.0020 -0.0011 11930 LYS 16 CD -0.0043 0.0026 -0.0008 11931 LYS 16 CE -0.0042 0.0018 -0.0009 11932 LYS 16 NZ -0.0053 0.0014 -0.0015 11933 LYS 16 H -0.0064 0.0015 -0.0020 11934 LYS 16 HA -0.0048 0.0027 -0.0009 11935 LYS 16 HB2 -0.0035 0.0024 -0.0004 11936 LYS 16 HB3 -0.0046 0.0035 -0.0006 11937 LYS 16 HG2 -0.0055 0.0019 -0.0015 11938 LYS 16 HG3 -0.0043 0.0011 -0.0012 11939 LYS 16 HD2 -0.0035 0.0028 -0.0003 11940 LYS 16 HD3 -0.0049 0.0033 -0.0008 11941 LYS 16 HE2 -0.0037 0.0010 -0.0009 11942 LYS 16 HE3 -0.0039 0.0022 -0.0007 11943 LYS 16 HZ1 -0.0053 0.0006 -0.0018 11944 LYS 16 HZ2 -0.0059 0.0018 -0.0017 11945 LYS 16 HZ3 -0.0055 0.0017 -0.0016 11946 TYR 17 N -0.0034 0.0008 -0.0008 11947 TYR 17 CA -0.0028 -0.0003 -0.0009 11948 TYR 17 C -0.0024 -0.0009 -0.0009 11949 TYR 17 O -0.0018 -0.0018 -0.0009 11950 TYR 17 CB -0.0019 -0.0002 -0.0004 11951 TYR 17 CG -0.0022 0.0007 -0.0003 11952 TYR 17 CD1 -0.0022 0.0018 0.0001 11953 TYR 17 CD2 -0.0025 0.0003 -0.0006 11954 TYR 17 CE1 -0.0025 0.0026 0.0001 11955 TYR 17 CE2 -0.0029 0.0011 -0.0005 11956 TYR 17 CZ -0.0028 0.0022 -0.0001 11957 TYR 17 OH -0.0031 0.0030 -0.0000 11958 TYR 17 H -0.0030 0.0015 -0.0004 11959 TYR 17 HA -0.0033 -0.0008 -0.0013 11960 TYR 17 HB2 -0.0012 0.0001 0.0000 11961 TYR 17 HB3 -0.0016 -0.0010 -0.0005 11962 TYR 17 HD1 -0.0019 0.0021 0.0003 11963 TYR 17 HD2 -0.0026 -0.0006 -0.0008 11964 TYR 17 HE1 -0.0024 0.0035 0.0004 11965 TYR 17 HE2 -0.0031 0.0008 -0.0007 11966 TYR 17 HH -0.0036 0.0027 -0.0004 11967 GLY 18 N -0.0027 -0.0004 -0.0008 11968 GLY 18 CA -0.0025 -0.0008 -0.0009 11969 GLY 18 C -0.0013 -0.0010 -0.0004 11970 GLY 18 O -0.0011 -0.0009 -0.0002 11971 GLY 18 H -0.0031 0.0004 -0.0008 11972 GLY 18 HA2 -0.0029 -0.0002 -0.0009 11973 GLY 18 HA3 -0.0028 -0.0016 -0.0013 11974 PHE 19 N 0.0006 -0.0003 0.0010 11975 PHE 19 CA 0.0009 -0.0004 0.0012 11976 PHE 19 C 0.0012 -0.0000 0.0011 11977 PHE 19 O 0.0011 0.0002 0.0010 11978 PHE 19 CB 0.0008 -0.0006 0.0013 11979 PHE 19 CG 0.0008 -0.0004 0.0011 11980 PHE 19 CD1 0.0005 -0.0002 0.0009 11981 PHE 19 CD2 0.0010 -0.0003 0.0012 11982 PHE 19 CE1 0.0004 -0.0001 0.0008 11983 PHE 19 CE2 0.0009 -0.0001 0.0011 11984 PHE 19 CZ 0.0006 0.0000 0.0009 11985 PHE 19 H 0.0004 -0.0002 0.0009 11986 PHE 19 HA 0.0011 -0.0005 0.0013 11987 PHE 19 HB2 0.0011 -0.0007 0.0014 11988 PHE 19 HB3 0.0006 -0.0008 0.0013 11989 PHE 19 HD1 0.0003 -0.0003 0.0009 11990 PHE 19 HD2 0.0013 -0.0004 0.0013 11991 PHE 19 HE1 0.0001 0.0000 0.0007 11992 PHE 19 HE2 0.0011 -0.0001 0.0011 11993 PHE 19 HZ 0.0006 0.0002 0.0008 11994 THR 20 N 0.0015 -0.0001 0.0013 11995 THR 20 CA 0.0018 0.0002 0.0013 11996 THR 20 C 0.0020 0.0002 0.0013 11997 THR 20 O 0.0021 -0.0001 0.0015 11998 THR 20 CB 0.0021 0.0001 0.0014 11999 THR 20 OG1 0.0020 0.0002 0.0014 12000 THR 20 CG2 0.0025 0.0004 0.0014 12001 THR 20 H 0.0016 -0.0003 0.0014 12002 THR 20 HA 0.0018 0.0004 0.0011 12003 THR 20 HB 0.0022 -0.0001 0.0016 12004 THR 20 HG1 0.0018 0.0000 0.0013 12005 THR 20 HG21 0.0024 0.0006 0.0013 12006 THR 20 HG22 0.0025 0.0004 0.0014 12007 THR 20 HG23 0.0027 0.0003 0.0015 12008 LEU 21 N 0.0019 0.0004 0.0012 12009 LEU 21 CA 0.0020 0.0004 0.0012 12010 LEU 21 C 0.0024 0.0006 0.0013 12011 LEU 21 O 0.0025 0.0009 0.0012 12012 LEU 21 CB 0.0018 0.0006 0.0010 12013 LEU 21 CG 0.0018 0.0005 0.0011 12014 LEU 21 CD1 0.0019 0.0002 0.0013 12015 LEU 21 CD2 0.0014 0.0005 0.0009 12016 LEU 21 H 0.0018 0.0006 0.0010 12017 LEU 21 HA 0.0020 0.0002 0.0013 12018 LEU 21 HB2 0.0016 0.0006 0.0009 12019 LEU 21 HB3 0.0020 0.0009 0.0009 12020 LEU 21 HG 0.0020 0.0007 0.0011 12021 LEU 21 HD11 0.0017 0.0000 0.0013 12022 LEU 21 HD12 0.0022 0.0002 0.0014 12023 LEU 21 HD13 0.0019 0.0001 0.0013 12024 LEU 21 HD21 0.0014 0.0008 0.0008 12025 LEU 21 HD22 0.0013 0.0003 0.0010 12026 LEU 21 HD23 0.0014 0.0005 0.0010 12027 ARG 22 N 0.0027 0.0004 0.0015 12028 ARG 22 CA 0.0030 0.0005 0.0016 12029 ARG 22 C 0.0032 0.0006 0.0016 12030 ARG 22 O 0.0030 0.0005 0.0016 12031 ARG 22 CB 0.0032 0.0002 0.0018 12032 ARG 22 CG 0.0036 0.0003 0.0019 12033 ARG 22 CD 0.0035 0.0004 0.0018 12034 ARG 22 NE 0.0039 0.0005 0.0019 12035 ARG 22 CZ 0.0039 0.0005 0.0019 12036 ARG 22 NH1 0.0036 0.0006 0.0018 12037 ARG 22 NH2 0.0042 0.0005 0.0020 12038 ARG 22 H 0.0026 0.0002 0.0016 12039 ARG 22 HA 0.0031 0.0007 0.0015 12040 ARG 22 HB2 0.0031 0.0001 0.0018 12041 ARG 22 HB3 0.0033 0.0001 0.0019 12042 ARG 22 HG2 0.0038 0.0001 0.0021 12043 ARG 22 HG3 0.0037 0.0006 0.0018 12044 ARG 22 HD2 0.0035 0.0007 0.0017 12045 ARG 22 HD3 0.0033 0.0003 0.0018 12046 ARG 22 HE 0.0041 0.0004 0.0021 12047 ARG 22 HH11 0.0034 0.0007 0.0017 12048 ARG 22 HH12 0.0037 0.0007 0.0017 12049 ARG 22 HH21 0.0044 0.0005 0.0022 12050 ARG 22 HH22 0.0042 0.0006 0.0020 12051 ALA 23 N 0.0034 0.0009 0.0016 12052 ALA 23 CA 0.0036 0.0010 0.0015 12053 ALA 23 C 0.0039 0.0009 0.0017 12054 ALA 23 O 0.0041 0.0009 0.0018 12055 ALA 23 CB 0.0036 0.0014 0.0014 12056 ALA 23 H 0.0035 0.0010 0.0015 12057 ALA 23 HA 0.0034 0.0009 0.0015 12058 ALA 23 HB1 0.0038 0.0015 0.0014 12059 ALA 23 HB2 0.0037 0.0015 0.0014 12060 ALA 23 HB3 0.0033 0.0015 0.0012 12061 ILE 24 N 0.0040 0.0008 0.0018 12062 ILE 24 CA 0.0043 0.0007 0.0020 12063 ILE 24 C 0.0044 0.0009 0.0019 12064 ILE 24 O 0.0042 0.0011 0.0018 12065 ILE 24 CB 0.0043 0.0004 0.0022 12066 ILE 24 CG1 0.0039 0.0002 0.0021 12067 ILE 24 CG2 0.0043 0.0002 0.0023 12068 ILE 24 CD1 0.0039 -0.0002 0.0023 12069 ILE 24 H 0.0038 0.0009 0.0017 12070 ILE 24 HA 0.0045 0.0008 0.0020 12071 ILE 24 HB 0.0045 0.0003 0.0023 12072 ILE 24 HG12 0.0037 0.0002 0.0020 12073 ILE 24 HG13 0.0038 0.0004 0.0020 12074 ILE 24 HG21 0.0042 0.0003 0.0022 12075 ILE 24 HG22 0.0046 0.0003 0.0023 12076 ILE 24 HG23 0.0043 -0.0001 0.0024 12077 ILE 24 HD11 0.0037 -0.0003 0.0022 12078 ILE 24 HD12 0.0040 -0.0003 0.0024 12079 ILE 24 HD13 0.0041 -0.0001 0.0023 12080 ARG 25 N 0.0021 0.0005 0.0007 12081 ARG 25 CA 0.0006 0.0002 -0.0006 12082 ARG 25 C -0.0009 0.0013 -0.0008 12083 ARG 25 O -0.0013 0.0009 -0.0014 12084 ARG 25 CB 0.0008 -0.0015 -0.0018 12085 ARG 25 CG 0.0021 -0.0027 -0.0019 12086 ARG 25 CD 0.0024 -0.0043 -0.0029 12087 ARG 25 NE 0.0017 -0.0052 -0.0041 12088 ARG 25 CZ 0.0023 -0.0068 -0.0049 12089 ARG 25 NH1 0.0037 -0.0076 -0.0046 12090 ARG 25 NH2 0.0016 -0.0075 -0.0060 12091 ARG 25 H 0.0021 0.0009 0.0010 12092 ARG 25 HA 0.0005 0.0004 -0.0006 12093 ARG 25 HB2 0.0012 -0.0017 -0.0017 12094 ARG 25 HB3 -0.0003 -0.0016 -0.0027 12095 ARG 25 HG2 0.0016 -0.0026 -0.0021 12096 ARG 25 HG3 0.0032 -0.0025 -0.0009 12097 ARG 25 HD2 0.0037 -0.0049 -0.0025 12098 ARG 25 HD3 0.0019 -0.0043 -0.0032 12099 ARG 25 HE 0.0007 -0.0047 -0.0043 12100 ARG 25 HH11 0.0042 -0.0071 -0.0038 12101 ARG 25 HH12 0.0041 -0.0088 -0.0052 12102 ARG 25 HH21 0.0006 -0.0069 -0.0062 12103 ARG 25 HH22 0.0021 -0.0087 -0.0066 12104 VAL 26 N -0.0016 0.0026 -0.0002 12105 VAL 26 CA -0.0030 0.0038 -0.0003 12106 VAL 26 C -0.0046 0.0034 -0.0017 12107 VAL 26 O -0.0053 0.0035 -0.0021 12108 VAL 26 CB -0.0034 0.0054 0.0008 12109 VAL 26 CG1 -0.0022 0.0061 0.0022 12110 VAL 26 CG2 -0.0032 0.0054 0.0008 12111 VAL 26 H -0.0012 0.0028 0.0002 12112 VAL 26 HA -0.0028 0.0038 -0.0001 12113 VAL 26 HB -0.0046 0.0062 0.0005 12114 VAL 26 HG11 -0.0023 0.0072 0.0029 12115 VAL 26 HG12 -0.0009 0.0053 0.0024 12116 VAL 26 HG13 -0.0024 0.0064 0.0022 12117 VAL 26 HG21 -0.0040 0.0048 -0.0002 12118 VAL 26 HG22 -0.0020 0.0048 0.0012 12119 VAL 26 HG23 -0.0036 0.0066 0.0015 12120 TYR 27 N -0.0050 0.0028 -0.0024 12121 TYR 27 CA -0.0064 0.0024 -0.0038 12122 TYR 27 C -0.0080 0.0038 -0.0037 12123 TYR 27 O -0.0080 0.0048 -0.0030 12124 TYR 27 CB -0.0063 0.0012 -0.0046 12125 TYR 27 CG -0.0053 -0.0005 -0.0052 12126 TYR 27 CD1 -0.0036 -0.0010 -0.0045 12127 TYR 27 CD2 -0.0061 -0.0015 -0.0066 12128 TYR 27 CE1 -0.0027 -0.0025 -0.0050 12129 TYR 27 CE2 -0.0052 -0.0031 -0.0072 12130 TYR 27 CZ -0.0035 -0.0035 -0.0064 12131 TYR 27 OH -0.0026 -0.0050 -0.0070 12132 TYR 27 H -0.0044 0.0027 -0.0021 12133 TYR 27 HA -0.0065 0.0019 -0.0043 12134 TYR 27 HB2 -0.0057 0.0015 -0.0040 12135 TYR 27 HB3 -0.0075 0.0012 -0.0054 12136 TYR 27 HD1 -0.0030 -0.0002 -0.0034 12137 TYR 27 HD2 -0.0074 -0.0012 -0.0072 12138 TYR 27 HE1 -0.0014 -0.0029 -0.0044 12139 TYR 27 HE2 -0.0058 -0.0039 -0.0083 12140 TYR 27 HH -0.0033 -0.0054 -0.0078 12141 MET 28 N -0.0092 0.0040 -0.0045 12142 MET 28 CA -0.0107 0.0053 -0.0045 12143 MET 28 C -0.0118 0.0048 -0.0056 12144 MET 28 O -0.0129 0.0043 -0.0067 12145 MET 28 CB -0.0116 0.0057 -0.0048 12146 MET 28 CG -0.0108 0.0065 -0.0036 12147 MET 28 SD -0.0107 0.0083 -0.0021 12148 MET 28 CE -0.0096 0.0089 -0.0009 12149 MET 28 H -0.0091 0.0032 -0.0051 12150 MET 28 HA -0.0105 0.0062 -0.0036 12151 MET 28 HB2 -0.0116 0.0047 -0.0056 12152 MET 28 HB3 -0.0128 0.0065 -0.0050 12153 MET 28 HG2 -0.0096 0.0057 -0.0033 12154 MET 28 HG3 -0.0115 0.0068 -0.0038 12155 MET 28 HE1 -0.0102 0.0088 -0.0013 12156 MET 28 HE2 -0.0084 0.0081 -0.0006 12157 MET 28 HE3 -0.0097 0.0101 -0.0000 12158 GLY 29 N -0.0115 0.0050 -0.0053 12159 GLY 29 CA -0.0125 0.0046 -0.0062 12160 GLY 29 C -0.0118 0.0029 -0.0071 12161 GLY 29 O -0.0105 0.0021 -0.0068 12162 GLY 29 H -0.0107 0.0054 -0.0043 12163 GLY 29 HA2 -0.0124 0.0053 -0.0057 12164 GLY 29 HA3 -0.0137 0.0050 -0.0068 12165 ASP 30 N -0.0128 0.0023 -0.0083 12166 ASP 30 CA -0.0123 0.0007 -0.0092 12167 ASP 30 C -0.0129 -0.0001 -0.0103 12168 ASP 30 O -0.0142 -0.0003 -0.0113 12169 ASP 30 CB -0.0130 0.0004 -0.0099 12170 ASP 30 CG -0.0124 -0.0013 -0.0108 12171 ASP 30 OD1 -0.0109 -0.0019 -0.0103 12172 ASP 30 OD2 -0.0134 -0.0020 -0.0121 12173 ASP 30 H -0.0139 0.0031 -0.0085 12174 ASP 30 HA -0.0110 0.0002 -0.0087 12175 ASP 30 HB2 -0.0127 0.0011 -0.0092 12176 ASP 30 HB3 -0.0144 0.0008 -0.0105 12177 SER 31 N -0.0139 -0.0011 -0.0113 12178 SER 31 CA -0.0142 -0.0022 -0.0121 12179 SER 31 C -0.0123 -0.0031 -0.0113 12180 SER 31 O -0.0108 -0.0030 -0.0102 12181 SER 31 CB -0.0154 -0.0007 -0.0121 12182 SER 31 OG -0.0154 0.0013 -0.0111 12183 SER 31 H -0.0127 -0.0009 -0.0104 12184 SER 31 HA -0.0148 -0.0033 -0.0131 12185 SER 31 HB2 -0.0150 -0.0011 -0.0120 12186 SER 31 HB3 -0.0168 -0.0008 -0.0132 12187 SER 31 HG -0.0144 0.0013 -0.0104 12188 ASP 32 N -0.0124 -0.0041 -0.0119 12189 ASP 32 CA -0.0107 -0.0051 -0.0112 12190 ASP 32 C -0.0100 -0.0036 -0.0100 12191 ASP 32 O -0.0085 -0.0042 -0.0092 12192 ASP 32 CB -0.0110 -0.0068 -0.0123 12193 ASP 32 CG -0.0119 -0.0061 -0.0125 12194 ASP 32 OD1 -0.0136 -0.0054 -0.0134 12195 ASP 32 OD2 -0.0108 -0.0062 -0.0119 12196 ASP 32 H -0.0136 -0.0042 -0.0127 12197 ASP 32 HA -0.0096 -0.0057 -0.0108 12198 ASP 32 HB2 -0.0097 -0.0079 -0.0120 12199 ASP 32 HB3 -0.0119 -0.0075 -0.0133 12200 VAL 33 N -0.0111 -0.0018 -0.0098 12201 VAL 33 CA -0.0105 -0.0003 -0.0086 12202 VAL 33 C -0.0091 0.0005 -0.0072 12203 VAL 33 O -0.0094 0.0013 -0.0070 12204 VAL 33 CB -0.0122 0.0014 -0.0088 12205 VAL 33 CG1 -0.0135 0.0021 -0.0094 12206 VAL 33 CG2 -0.0116 0.0032 -0.0075 12207 VAL 33 H -0.0122 -0.0015 -0.0104 12208 VAL 33 HA -0.0099 -0.0010 -0.0085 12209 VAL 33 HB -0.0130 0.0009 -0.0096 12210 VAL 33 HG11 -0.0146 0.0034 -0.0095 12211 VAL 33 HG12 -0.0128 0.0024 -0.0087 12212 VAL 33 HG13 -0.0141 0.0009 -0.0104 12213 VAL 33 HG21 -0.0106 0.0027 -0.0071 12214 VAL 33 HG22 -0.0109 0.0038 -0.0067 12215 VAL 33 HG23 -0.0128 0.0044 -0.0077 12216 TYR 34 N -0.0075 0.0003 -0.0063 12217 TYR 34 CA -0.0060 0.0010 -0.0049 12218 TYR 34 C -0.0046 0.0012 -0.0039 12219 TYR 34 O -0.0044 0.0001 -0.0043 12220 TYR 34 CB -0.0050 -0.0004 -0.0049 12221 TYR 34 CG -0.0038 -0.0024 -0.0052 12222 TYR 34 CD1 -0.0045 -0.0040 -0.0065 12223 TYR 34 CD2 -0.0019 -0.0027 -0.0040 12224 TYR 34 CE1 -0.0034 -0.0058 -0.0067 12225 TYR 34 CE2 -0.0007 -0.0045 -0.0042 12226 TYR 34 CZ -0.0015 -0.0060 -0.0055 12227 TYR 34 OH -0.0004 -0.0078 -0.0057 12228 TYR 34 H -0.0073 -0.0004 -0.0065 12229 TYR 34 HA -0.0066 0.0024 -0.0045 12230 TYR 34 HB2 -0.0041 0.0003 -0.0040 12231 TYR 34 HB3 -0.0060 -0.0007 -0.0058 12232 TYR 34 HD1 -0.0060 -0.0037 -0.0074 12233 TYR 34 HD2 -0.0012 -0.0015 -0.0030 12234 TYR 34 HE1 -0.0041 -0.0070 -0.0077 12235 TYR 34 HE2 0.0007 -0.0047 -0.0033 12236 TYR 34 HH -0.0009 -0.0082 -0.0062 12237 THR 35 N -0.0037 0.0026 -0.0025 12238 THR 35 CA -0.0024 0.0029 -0.0015 12239 THR 35 C -0.0004 0.0022 -0.0005 12240 THR 35 O -0.0001 0.0027 -0.0000 12241 THR 35 CB -0.0028 0.0051 -0.0006 12242 THR 35 OG1 -0.0045 0.0062 -0.0012 12243 THR 35 CG2 -0.0028 0.0053 -0.0005 12244 THR 35 H -0.0040 0.0035 -0.0023 12245 THR 35 HA -0.0025 0.0020 -0.0020 12246 THR 35 HB -0.0017 0.0056 0.0005 12247 THR 35 HG1 -0.0054 0.0054 -0.0022 12248 THR 35 HG21 -0.0015 0.0045 -0.0001 12249 THR 35 HG22 -0.0031 0.0068 0.0001 12250 THR 35 HG23 -0.0039 0.0047 -0.0016 12251 VAL 36 N 0.0008 0.0010 -0.0003 12252 VAL 36 CA 0.0027 0.0002 0.0006 12253 VAL 36 C 0.0038 0.0017 0.0021 12254 VAL 36 O 0.0044 0.0018 0.0026 12255 VAL 36 CB 0.0036 -0.0018 0.0002 12256 VAL 36 CG1 0.0054 -0.0028 0.0008 12257 VAL 36 CG2 0.0023 -0.0031 -0.0014 12258 VAL 36 H 0.0004 0.0006 -0.0008 12259 VAL 36 HA 0.0027 0.0001 0.0005 12260 VAL 36 HB 0.0040 -0.0016 0.0005 12261 VAL 36 HG11 0.0060 -0.0042 0.0005 12262 VAL 36 HG12 0.0050 -0.0030 0.0005 12263 VAL 36 HG13 0.0064 -0.0019 0.0019 12264 VAL 36 HG21 0.0013 -0.0026 -0.0019 12265 VAL 36 HG22 0.0016 -0.0031 -0.0019 12266 VAL 36 HG23 0.0031 -0.0046 -0.0017 12267 HIS 37 N 0.0041 0.0010 0.0016 12268 HIS 37 CA 0.0038 0.0008 0.0017 12269 HIS 37 C 0.0037 0.0008 0.0017 12270 HIS 37 O 0.0038 0.0009 0.0016 12271 HIS 37 CB 0.0039 0.0005 0.0017 12272 HIS 37 CG 0.0040 0.0005 0.0017 12273 HIS 37 ND1 0.0039 0.0007 0.0017 12274 HIS 37 CD2 0.0043 0.0004 0.0018 12275 HIS 37 CE1 0.0040 0.0006 0.0017 12276 HIS 37 NE2 0.0043 0.0005 0.0018 12277 HIS 37 H 0.0043 0.0010 0.0016 12278 HIS 37 HA 0.0036 0.0009 0.0016 12279 HIS 37 HB2 0.0041 0.0004 0.0018 12280 HIS 37 HB3 0.0038 0.0003 0.0018 12281 HIS 37 HD2 0.0045 0.0003 0.0018 12282 HIS 37 HE1 0.0039 0.0007 0.0017 12283 HIS 37 HE2 0.0044 0.0004 0.0018 12284 HIS 38 N 0.0035 0.0005 0.0017 12285 HIS 38 CA 0.0033 0.0005 0.0017 12286 HIS 38 C 0.0032 0.0001 0.0018 12287 HIS 38 O 0.0032 -0.0000 0.0018 12288 HIS 38 CB 0.0030 0.0007 0.0016 12289 HIS 38 CG 0.0031 0.0010 0.0016 12290 HIS 38 ND1 0.0032 0.0011 0.0016 12291 HIS 38 CD2 0.0030 0.0012 0.0015 12292 HIS 38 CE1 0.0033 0.0014 0.0015 12293 HIS 38 NE2 0.0032 0.0015 0.0015 12294 HIS 38 H 0.0034 0.0004 0.0017 12295 HIS 38 HA 0.0035 0.0005 0.0017 12296 HIS 38 HB2 0.0029 0.0006 0.0016 12297 HIS 38 HB3 0.0029 0.0006 0.0017 12298 HIS 38 HD2 0.0029 0.0012 0.0015 12299 HIS 38 HE1 0.0034 0.0016 0.0015 12300 HIS 38 HE2 0.0032 0.0017 0.0014 12301 MET 39 N 0.0031 -0.0000 0.0018 12302 MET 39 CA 0.0030 -0.0003 0.0019 12303 MET 39 C 0.0028 -0.0004 0.0019 12304 MET 39 O 0.0029 -0.0002 0.0018 12305 MET 39 CB 0.0033 -0.0005 0.0019 12306 MET 39 CG 0.0035 -0.0006 0.0019 12307 MET 39 SD 0.0035 -0.0010 0.0020 12308 MET 39 CE 0.0036 -0.0012 0.0021 12309 MET 39 H 0.0031 0.0001 0.0018 12310 MET 39 HA 0.0029 -0.0004 0.0019 12311 MET 39 HB2 0.0035 -0.0004 0.0019 12312 MET 39 HB3 0.0032 -0.0007 0.0020 12313 MET 39 HG2 0.0034 -0.0005 0.0019 12314 MET 39 HG3 0.0037 -0.0005 0.0019 12315 MET 39 HE1 0.0039 -0.0011 0.0021 12316 MET 39 HE2 0.0036 -0.0014 0.0021 12317 MET 39 HE3 0.0035 -0.0011 0.0021 12318 VAL 40 N 0.0026 -0.0006 0.0019 12319 VAL 40 CA 0.0024 -0.0006 0.0019 12320 VAL 40 C 0.0025 -0.0008 0.0020 12321 VAL 40 O 0.0026 -0.0011 0.0020 12322 VAL 40 CB 0.0020 -0.0008 0.0019 12323 VAL 40 CG1 0.0021 -0.0010 0.0020 12324 VAL 40 CG2 0.0018 -0.0009 0.0019 12325 VAL 40 H 0.0026 -0.0007 0.0019 12326 VAL 40 HA 0.0023 -0.0004 0.0018 12327 VAL 40 HB 0.0019 -0.0006 0.0019 12328 VAL 40 HG11 0.0021 -0.0012 0.0020 12329 VAL 40 HG12 0.0023 -0.0010 0.0020 12330 VAL 40 HG13 0.0019 -0.0010 0.0020 12331 VAL 40 HG21 0.0018 -0.0007 0.0019 12332 VAL 40 HG22 0.0019 -0.0011 0.0020 12333 VAL 40 HG23 0.0016 -0.0009 0.0019 12334 TRP 41 N 0.0026 -0.0007 0.0019 12335 TRP 41 CA 0.0027 -0.0008 0.0020 12336 TRP 41 C 0.0025 -0.0011 0.0020 12337 TRP 41 O 0.0026 -0.0013 0.0021 12338 TRP 41 CB 0.0029 -0.0006 0.0019 12339 TRP 41 CG 0.0031 -0.0007 0.0019 12340 TRP 41 CD1 0.0032 -0.0007 0.0020 12341 TRP 41 CD2 0.0034 -0.0008 0.0020 12342 TRP 41 NE1 0.0035 -0.0008 0.0020 12343 TRP 41 CE2 0.0036 -0.0008 0.0020 12344 TRP 41 CE3 0.0036 -0.0008 0.0020 12345 TRP 41 CZ2 0.0040 -0.0009 0.0020 12346 TRP 41 CZ3 0.0039 -0.0009 0.0020 12347 TRP 41 CH2 0.0041 -0.0009 0.0020 12348 TRP 41 H 0.0025 -0.0005 0.0019 12349 TRP 41 HA 0.0029 -0.0010 0.0020 12350 TRP 41 HB2 0.0029 -0.0004 0.0019 12351 TRP 41 HB3 0.0027 -0.0006 0.0019 12352 TRP 41 HD1 0.0030 -0.0007 0.0019 12353 TRP 41 HE1 0.0036 -0.0008 0.0020 12354 TRP 41 HE3 0.0034 -0.0007 0.0020 12355 TRP 41 HZ2 0.0041 -0.0009 0.0021 12356 TRP 41 HZ3 0.0039 -0.0009 0.0020 12357 TRP 41 HH2 0.0043 -0.0010 0.0021 12358 HIS 42 N 0.0023 -0.0010 0.0020 12359 HIS 42 CA 0.0020 -0.0012 0.0020 12360 HIS 42 C 0.0017 -0.0011 0.0020 12361 HIS 42 O 0.0016 -0.0008 0.0019 12362 HIS 42 CB 0.0021 -0.0011 0.0020 12363 HIS 42 CG 0.0020 -0.0014 0.0020 12364 HIS 42 ND1 0.0022 -0.0016 0.0021 12365 HIS 42 CD2 0.0017 -0.0015 0.0021 12366 HIS 42 CE1 0.0021 -0.0018 0.0021 12367 HIS 42 NE2 0.0017 -0.0018 0.0021 12368 HIS 42 H 0.0022 -0.0008 0.0019 12369 HIS 42 HA 0.0021 -0.0014 0.0021 12370 HIS 42 HB2 0.0023 -0.0011 0.0020 12371 HIS 42 HB3 0.0019 -0.0009 0.0019 12372 HIS 42 HD2 0.0015 -0.0014 0.0020 12373 HIS 42 HE1 0.0022 -0.0020 0.0022 12374 HIS 42 HE2 0.0016 -0.0019 0.0021 12375 VAL 43 N 0.0009 -0.0024 0.0004 12376 VAL 43 CA 0.0002 -0.0025 -0.0000 12377 VAL 43 C -0.0007 -0.0028 -0.0007 12378 VAL 43 O -0.0007 -0.0036 -0.0009 12379 VAL 43 CB 0.0005 -0.0032 -0.0000 12380 VAL 43 CG1 0.0010 -0.0043 -0.0001 12381 VAL 43 CG2 -0.0003 -0.0034 -0.0005 12382 VAL 43 H 0.0011 -0.0031 0.0004 12383 VAL 43 HA -0.0000 -0.0017 0.0001 12384 VAL 43 HB 0.0011 -0.0029 0.0004 12385 VAL 43 HG11 0.0016 -0.0042 0.0003 12386 VAL 43 HG12 0.0012 -0.0048 -0.0001 12387 VAL 43 HG13 0.0005 -0.0046 -0.0005 12388 VAL 43 HG21 -0.0005 -0.0026 -0.0005 12389 VAL 43 HG22 -0.0009 -0.0036 -0.0010 12390 VAL 43 HG23 -0.0000 -0.0040 -0.0006 12391 GLU 44 N -0.0016 -0.0022 -0.0009 12392 GLU 44 CA -0.0025 -0.0024 -0.0015 12393 GLU 44 C -0.0028 -0.0034 -0.0020 12394 GLU 44 O -0.0029 -0.0035 -0.0021 12395 GLU 44 CB -0.0032 -0.0014 -0.0017 12396 GLU 44 CG -0.0030 -0.0004 -0.0013 12397 GLU 44 CD -0.0039 0.0004 -0.0016 12398 GLU 44 OE1 -0.0044 0.0007 -0.0018 12399 GLU 44 OE2 -0.0041 0.0006 -0.0016 12400 GLU 44 H -0.0015 -0.0016 -0.0007 12401 GLU 44 HA -0.0024 -0.0024 -0.0015 12402 GLU 44 HB2 -0.0032 -0.0013 -0.0017 12403 GLU 44 HB3 -0.0039 -0.0016 -0.0021 12404 GLU 44 HG2 -0.0027 -0.0006 -0.0011 12405 GLU 44 HG3 -0.0026 -0.0000 -0.0009 12406 ASP 45 N -0.0029 -0.0041 -0.0023 12407 ASP 45 CA -0.0032 -0.0052 -0.0028 12408 ASP 45 C -0.0043 -0.0051 -0.0034 12409 ASP 45 O -0.0047 -0.0059 -0.0039 12410 ASP 45 CB -0.0028 -0.0060 -0.0028 12411 ASP 45 CG -0.0031 -0.0057 -0.0029 12412 ASP 45 OD1 -0.0028 -0.0049 -0.0025 12413 ASP 45 OD2 -0.0036 -0.0063 -0.0033 12414 ASP 45 H -0.0028 -0.0040 -0.0022 12415 ASP 45 HA -0.0029 -0.0054 -0.0027 12416 ASP 45 HB2 -0.0030 -0.0068 -0.0032 12417 ASP 45 HB3 -0.0020 -0.0061 -0.0024 12418 GLY 46 N -0.0048 -0.0041 -0.0034 12419 GLY 46 CA -0.0058 -0.0040 -0.0040 12420 GLY 46 C -0.0062 -0.0039 -0.0042 12421 GLY 46 O -0.0071 -0.0037 -0.0046 12422 GLY 46 H -0.0044 -0.0035 -0.0030 12423 GLY 46 HA2 -0.0060 -0.0047 -0.0043 12424 GLY 46 HA3 -0.0061 -0.0033 -0.0039 12425 GLY 47 N -0.0056 -0.0040 -0.0038 12426 GLY 47 CA -0.0060 -0.0039 -0.0040 12427 GLY 47 C -0.0052 -0.0037 -0.0036 12428 GLY 47 O -0.0051 -0.0043 -0.0037 12429 GLY 47 H -0.0049 -0.0042 -0.0035 12430 GLY 47 HA2 -0.0062 -0.0047 -0.0044 12431 GLY 47 HA3 -0.0065 -0.0033 -0.0042 12432 PRO 48 N -0.0048 -0.0029 -0.0030 12433 PRO 48 CA -0.0041 -0.0026 -0.0025 12434 PRO 48 C -0.0032 -0.0034 -0.0023 12435 PRO 48 O -0.0032 -0.0044 -0.0026 12436 PRO 48 CB -0.0038 -0.0016 -0.0021 12437 PRO 48 CG -0.0046 -0.0011 -0.0024 12438 PRO 48 CD -0.0049 -0.0021 -0.0029 12439 PRO 48 HA -0.0044 -0.0024 -0.0027 12440 PRO 48 HB2 -0.0031 -0.0018 -0.0017 12441 PRO 48 HB3 -0.0036 -0.0010 -0.0018 12442 PRO 48 HG2 -0.0043 -0.0006 -0.0021 12443 PRO 48 HG3 -0.0051 -0.0007 -0.0026 12444 PRO 48 HD2 -0.0045 -0.0023 -0.0027 12445 PRO 48 HD3 -0.0056 -0.0019 -0.0032 12446 ALA 49 N -0.0023 -0.0022 -0.0018 12447 ALA 49 CA -0.0014 -0.0027 -0.0015 12448 ALA 49 C -0.0012 -0.0037 -0.0018 12449 ALA 49 O -0.0008 -0.0044 -0.0018 12450 ALA 49 CB -0.0007 -0.0021 -0.0009 12451 ALA 49 H -0.0024 -0.0015 -0.0016 12452 ALA 49 HA -0.0013 -0.0028 -0.0016 12453 ALA 49 HB1 -0.0002 -0.0022 -0.0006 12454 ALA 49 HB2 -0.0004 -0.0024 -0.0008 12455 ALA 49 HB3 -0.0010 -0.0014 -0.0008 12456 SER 50 N -0.0016 -0.0038 -0.0021 12457 SER 50 CA -0.0014 -0.0047 -0.0023 12458 SER 50 C -0.0017 -0.0055 -0.0028 12459 SER 50 O -0.0012 -0.0063 -0.0028 12460 SER 50 CB -0.0018 -0.0046 -0.0025 12461 SER 50 OG -0.0012 -0.0044 -0.0021 12462 SER 50 H -0.0020 -0.0033 -0.0021 12463 SER 50 HA -0.0007 -0.0049 -0.0020 12464 SER 50 HB2 -0.0024 -0.0041 -0.0026 12465 SER 50 HB3 -0.0020 -0.0053 -0.0029 12466 SER 50 HG -0.0006 -0.0047 -0.0018 12467 GLU 51 N -0.0026 -0.0053 -0.0033 12468 GLU 51 CA -0.0031 -0.0060 -0.0038 12469 GLU 51 C -0.0027 -0.0062 -0.0036 12470 GLU 51 O -0.0027 -0.0069 -0.0039 12471 GLU 51 CB -0.0041 -0.0056 -0.0042 12472 GLU 51 CG -0.0045 -0.0055 -0.0044 12473 GLU 51 CD -0.0048 -0.0065 -0.0050 12474 GLU 51 OE1 -0.0042 -0.0071 -0.0049 12475 GLU 51 OE2 -0.0056 -0.0066 -0.0055 12476 GLU 51 H -0.0030 -0.0047 -0.0032 12477 GLU 51 HA -0.0029 -0.0067 -0.0040 12478 GLU 51 HB2 -0.0042 -0.0049 -0.0040 12479 GLU 51 HB3 -0.0044 -0.0061 -0.0046 12480 GLU 51 HG2 -0.0041 -0.0053 -0.0041 12481 GLU 51 HG3 -0.0051 -0.0050 -0.0046 12482 ALA 52 N -0.0023 -0.0055 -0.0031 12483 ALA 52 CA -0.0019 -0.0056 -0.0029 12484 ALA 52 C -0.0010 -0.0063 -0.0027 12485 ALA 52 O -0.0007 -0.0067 -0.0027 12486 ALA 52 CB -0.0017 -0.0046 -0.0024 12487 ALA 52 H -0.0023 -0.0049 -0.0029 12488 ALA 52 HA -0.0023 -0.0058 -0.0033 12489 ALA 52 HB1 -0.0024 -0.0041 -0.0026 12490 ALA 52 HB2 -0.0013 -0.0046 -0.0022 12491 ALA 52 HB3 -0.0014 -0.0042 -0.0021 12492 GLY 53 N -0.0006 -0.0064 -0.0025 12493 GLY 53 CA 0.0003 -0.0071 -0.0023 12494 GLY 53 C 0.0010 -0.0067 -0.0017 12495 GLY 53 O 0.0017 -0.0072 -0.0015 12496 GLY 53 H -0.0008 -0.0061 -0.0025 12497 GLY 53 HA2 0.0002 -0.0077 -0.0026 12498 GLY 53 HA3 0.0005 -0.0073 -0.0022 12499 LEU 54 N 0.0008 -0.0057 -0.0015 12500 LEU 54 CA 0.0014 -0.0052 -0.0009 12501 LEU 54 C 0.0016 -0.0055 -0.0010 12502 LEU 54 O 0.0009 -0.0054 -0.0012 12503 LEU 54 CB 0.0012 -0.0041 -0.0006 12504 LEU 54 CG 0.0019 -0.0035 0.0000 12505 LEU 54 CD1 0.0016 -0.0025 0.0003 12506 LEU 54 CD2 0.0022 -0.0036 0.0002 12507 LEU 54 H 0.0002 -0.0054 -0.0016 12508 LEU 54 HA 0.0021 -0.0054 -0.0006 12509 LEU 54 HB2 0.0009 -0.0040 -0.0007 12510 LEU 54 HB3 0.0006 -0.0039 -0.0008 12511 LEU 54 HG 0.0025 -0.0039 0.0002 12512 LEU 54 HD11 0.0014 -0.0025 0.0002 12513 LEU 54 HD12 0.0022 -0.0021 0.0007 12514 LEU 54 HD13 0.0010 -0.0022 0.0001 12515 LEU 54 HD21 0.0026 -0.0031 0.0006 12516 LEU 54 HD22 0.0025 -0.0043 0.0001 12517 LEU 54 HD23 0.0016 -0.0034 -0.0001 12518 ARG 55 N 0.0017 -0.0027 0.0018 12519 ARG 55 CA 0.0018 -0.0029 0.0017 12520 ARG 55 C 0.0019 -0.0028 0.0017 12521 ARG 55 O 0.0020 -0.0027 0.0017 12522 ARG 55 CB 0.0019 -0.0029 0.0016 12523 ARG 55 CG 0.0020 -0.0028 0.0016 12524 ARG 55 CD 0.0022 -0.0029 0.0015 12525 ARG 55 NE 0.0022 -0.0030 0.0015 12526 ARG 55 CZ 0.0023 -0.0031 0.0014 12527 ARG 55 NH1 0.0024 -0.0030 0.0014 12528 ARG 55 NH2 0.0024 -0.0033 0.0013 12529 ARG 55 H 0.0018 -0.0026 0.0017 12530 ARG 55 HA 0.0017 -0.0030 0.0017 12531 ARG 55 HB2 0.0019 -0.0031 0.0016 12532 ARG 55 HB3 0.0018 -0.0030 0.0016 12533 ARG 55 HG2 0.0021 -0.0028 0.0016 12534 ARG 55 HG3 0.0020 -0.0027 0.0016 12535 ARG 55 HD2 0.0023 -0.0028 0.0015 12536 ARG 55 HD3 0.0022 -0.0029 0.0015 12537 ARG 55 HE 0.0022 -0.0031 0.0015 12538 ARG 55 HH11 0.0024 -0.0029 0.0014 12539 ARG 55 HH12 0.0025 -0.0031 0.0013 12540 ARG 55 HH21 0.0023 -0.0033 0.0013 12541 ARG 55 HH22 0.0025 -0.0033 0.0013 12542 GLN 56 N 0.0018 -0.0029 0.0017 12543 GLN 56 CA 0.0019 -0.0029 0.0017 12544 GLN 56 C 0.0020 -0.0029 0.0016 12545 GLN 56 O 0.0021 -0.0030 0.0015 12546 GLN 56 CB 0.0018 -0.0030 0.0016 12547 GLN 56 CG 0.0018 -0.0030 0.0016 12548 GLN 56 CD 0.0017 -0.0031 0.0017 12549 GLN 56 OE1 0.0015 -0.0031 0.0017 12550 GLN 56 NE2 0.0017 -0.0032 0.0016 12551 GLN 56 H 0.0017 -0.0030 0.0017 12552 GLN 56 HA 0.0018 -0.0028 0.0017 12553 GLN 56 HB2 0.0016 -0.0030 0.0017 12554 GLN 56 HB3 0.0018 -0.0031 0.0016 12555 GLN 56 HG2 0.0019 -0.0031 0.0016 12556 GLN 56 HG3 0.0018 -0.0029 0.0017 12557 GLN 56 HE21 0.0019 -0.0032 0.0016 12558 GLN 56 HE22 0.0017 -0.0032 0.0016 12559 GLY 57 N 0.0021 -0.0028 0.0016 12560 GLY 57 CA 0.0023 -0.0028 0.0015 12561 GLY 57 C 0.0024 -0.0027 0.0015 12562 GLY 57 O 0.0024 -0.0028 0.0015 12563 GLY 57 H 0.0021 -0.0027 0.0016 12564 GLY 57 HA2 0.0023 -0.0027 0.0015 12565 GLY 57 HA3 0.0023 -0.0029 0.0015 12566 ASP 58 N 0.0024 -0.0025 0.0016 12567 ASP 58 CA 0.0024 -0.0024 0.0016 12568 ASP 58 C 0.0025 -0.0023 0.0016 12569 ASP 58 O 0.0024 -0.0022 0.0016 12570 ASP 58 CB 0.0023 -0.0024 0.0016 12571 ASP 58 CG 0.0024 -0.0024 0.0016 12572 ASP 58 OD1 0.0025 -0.0024 0.0015 12573 ASP 58 OD2 0.0023 -0.0024 0.0016 12574 ASP 58 H 0.0023 -0.0025 0.0016 12575 ASP 58 HA 0.0025 -0.0025 0.0015 12576 ASP 58 HB2 0.0022 -0.0025 0.0016 12577 ASP 58 HB3 0.0022 -0.0023 0.0017 12578 LEU 59 N 0.0026 -0.0022 0.0016 12579 LEU 59 CA 0.0027 -0.0020 0.0016 12580 LEU 59 C 0.0026 -0.0019 0.0016 12581 LEU 59 O 0.0026 -0.0019 0.0017 12582 LEU 59 CB 0.0029 -0.0020 0.0015 12583 LEU 59 CG 0.0030 -0.0018 0.0015 12584 LEU 59 CD1 0.0030 -0.0018 0.0015 12585 LEU 59 CD2 0.0031 -0.0018 0.0015 12586 LEU 59 H 0.0027 -0.0023 0.0015 12587 LEU 59 HA 0.0027 -0.0020 0.0016 12588 LEU 59 HB2 0.0029 -0.0021 0.0015 12589 LEU 59 HB3 0.0029 -0.0021 0.0015 12590 LEU 59 HG 0.0029 -0.0018 0.0016 12591 LEU 59 HD11 0.0029 -0.0018 0.0016 12592 LEU 59 HD12 0.0030 -0.0017 0.0016 12593 LEU 59 HD13 0.0031 -0.0019 0.0015 12594 LEU 59 HD21 0.0032 -0.0019 0.0014 12595 LEU 59 HD22 0.0032 -0.0017 0.0015 12596 LEU 59 HD23 0.0031 -0.0018 0.0015 12597 ILE 60 N 0.0026 -0.0018 0.0017 12598 ILE 60 CA 0.0025 -0.0016 0.0018 12599 ILE 60 C 0.0026 -0.0015 0.0018 12600 ILE 60 O 0.0027 -0.0015 0.0017 12601 ILE 60 CB 0.0024 -0.0016 0.0018 12602 ILE 60 CG1 0.0022 -0.0017 0.0019 12603 ILE 60 CG2 0.0023 -0.0014 0.0019 12604 ILE 60 CD1 0.0023 -0.0018 0.0018 12605 ILE 60 H 0.0026 -0.0018 0.0017 12606 ILE 60 HA 0.0024 -0.0017 0.0018 12607 ILE 60 HB 0.0024 -0.0015 0.0018 12608 ILE 60 HG12 0.0021 -0.0017 0.0019 12609 ILE 60 HG13 0.0022 -0.0018 0.0019 12610 ILE 60 HG21 0.0022 -0.0014 0.0020 12611 ILE 60 HG22 0.0022 -0.0015 0.0019 12612 ILE 60 HG23 0.0024 -0.0013 0.0019 12613 ILE 60 HD11 0.0023 -0.0018 0.0018 12614 ILE 60 HD12 0.0023 -0.0019 0.0018 12615 ILE 60 HD13 0.0021 -0.0019 0.0018 12616 THR 61 N 0.0039 -0.0019 0.0028 12617 THR 61 CA 0.0042 -0.0020 0.0031 12618 THR 61 C 0.0040 -0.0018 0.0030 12619 THR 61 O 0.0042 -0.0015 0.0033 12620 THR 61 CB 0.0044 -0.0026 0.0031 12621 THR 61 OG1 0.0041 -0.0029 0.0027 12622 THR 61 CG2 0.0046 -0.0029 0.0032 12623 THR 61 H 0.0037 -0.0022 0.0025 12624 THR 61 HA 0.0044 -0.0018 0.0034 12625 THR 61 HB 0.0047 -0.0027 0.0033 12626 THR 61 HG1 0.0041 -0.0029 0.0027 12627 THR 61 HG21 0.0043 -0.0029 0.0029 12628 THR 61 HG22 0.0048 -0.0027 0.0035 12629 THR 61 HG23 0.0048 -0.0033 0.0032 12630 HIS 62 N 0.0036 -0.0019 0.0026 12631 HIS 62 CA 0.0034 -0.0016 0.0025 12632 HIS 62 C 0.0029 -0.0014 0.0021 12633 HIS 62 O 0.0027 -0.0016 0.0019 12634 HIS 62 CB 0.0035 -0.0021 0.0023 12635 HIS 62 CG 0.0039 -0.0024 0.0027 12636 HIS 62 ND1 0.0041 -0.0029 0.0027 12637 HIS 62 CD2 0.0042 -0.0022 0.0030 12638 HIS 62 CE1 0.0045 -0.0031 0.0030 12639 HIS 62 NE2 0.0046 -0.0026 0.0032 12640 HIS 62 H 0.0035 -0.0020 0.0024 12641 HIS 62 HA 0.0035 -0.0013 0.0027 12642 HIS 62 HB2 0.0033 -0.0024 0.0021 12643 HIS 62 HB3 0.0033 -0.0020 0.0022 12644 HIS 62 HD2 0.0041 -0.0018 0.0031 12645 HIS 62 HE1 0.0048 -0.0034 0.0031 12646 HIS 62 HE2 0.0049 -0.0026 0.0035 12647 VAL 63 N 0.0027 -0.0010 0.0020 12648 VAL 63 CA 0.0023 -0.0008 0.0017 12649 VAL 63 C 0.0021 -0.0007 0.0015 12650 VAL 63 O 0.0022 -0.0004 0.0017 12651 VAL 63 CB 0.0022 -0.0002 0.0018 12652 VAL 63 CG1 0.0024 0.0002 0.0022 12653 VAL 63 CG2 0.0017 0.0000 0.0014 12654 VAL 63 H 0.0029 -0.0009 0.0022 12655 VAL 63 HA 0.0021 -0.0011 0.0014 12656 VAL 63 HB 0.0023 -0.0002 0.0019 12657 VAL 63 HG11 0.0027 0.0000 0.0024 12658 VAL 63 HG12 0.0023 0.0006 0.0023 12659 VAL 63 HG13 0.0023 0.0003 0.0021 12660 VAL 63 HG21 0.0016 0.0005 0.0015 12661 VAL 63 HG22 0.0016 -0.0001 0.0013 12662 VAL 63 HG23 0.0015 -0.0001 0.0012 12663 ASN 64 N 0.0018 -0.0011 0.0011 12664 ASN 64 CA 0.0016 -0.0011 0.0009 12665 ASN 64 C 0.0019 -0.0012 0.0012 12666 ASN 64 O 0.0018 -0.0010 0.0012 12667 ASN 64 CB 0.0013 -0.0005 0.0008 12668 ASN 64 CG 0.0008 -0.0006 0.0004 12669 ASN 64 OD1 0.0007 -0.0009 0.0001 12670 ASN 64 ND2 0.0006 -0.0002 0.0003 12671 ASN 64 H 0.0017 -0.0013 0.0010 12672 ASN 64 HA 0.0014 -0.0014 0.0006 12673 ASN 64 HB2 0.0013 -0.0002 0.0009 12674 ASN 64 HB3 0.0014 -0.0003 0.0010 12675 ASN 64 HD21 0.0008 0.0000 0.0005 12676 ASN 64 HD22 0.0003 -0.0002 -0.0000 12677 GLY 65 N 0.0023 -0.0016 0.0014 12678 GLY 65 CA 0.0026 -0.0018 0.0017 12679 GLY 65 C 0.0029 -0.0013 0.0021 12680 GLY 65 O 0.0030 -0.0012 0.0022 12681 GLY 65 H 0.0023 -0.0017 0.0014 12682 GLY 65 HA2 0.0029 -0.0021 0.0018 12683 GLY 65 HA3 0.0025 -0.0019 0.0015 12684 GLU 66 N 0.0030 -0.0010 0.0023 12685 GLU 66 CA 0.0032 -0.0006 0.0026 12686 GLU 66 C 0.0034 -0.0006 0.0029 12687 GLU 66 O 0.0033 -0.0004 0.0028 12688 GLU 66 CB 0.0028 -0.0000 0.0025 12689 GLU 66 CG 0.0030 0.0004 0.0029 12690 GLU 66 CD 0.0031 0.0003 0.0029 12691 GLU 66 OE1 0.0034 -0.0001 0.0031 12692 GLU 66 OE2 0.0028 0.0005 0.0027 12693 GLU 66 H 0.0029 -0.0011 0.0021 12694 GLU 66 HA 0.0034 -0.0007 0.0028 12695 GLU 66 HB2 0.0026 -0.0001 0.0022 12696 GLU 66 HB3 0.0028 0.0001 0.0025 12697 GLU 66 HG2 0.0028 0.0008 0.0028 12698 GLU 66 HG3 0.0033 0.0005 0.0032 12699 PRO 67 N 0.0041 0.0005 0.0023 12700 PRO 67 CA 0.0043 0.0004 0.0023 12701 PRO 67 C 0.0042 0.0006 0.0023 12702 PRO 67 O 0.0041 0.0008 0.0024 12703 PRO 67 CB 0.0046 0.0005 0.0024 12704 PRO 67 CG 0.0045 0.0007 0.0024 12705 PRO 67 CD 0.0042 0.0006 0.0024 12706 PRO 67 HA 0.0043 0.0002 0.0022 12707 PRO 67 HB2 0.0047 0.0007 0.0025 12708 PRO 67 HB3 0.0047 0.0003 0.0023 12709 PRO 67 HG2 0.0046 0.0009 0.0025 12710 PRO 67 HG3 0.0047 0.0006 0.0024 12711 PRO 67 HD2 0.0041 0.0008 0.0024 12712 PRO 67 HD3 0.0042 0.0004 0.0023 12713 VAL 68 N 0.0042 0.0004 0.0023 12714 VAL 68 CA 0.0041 0.0005 0.0023 12715 VAL 68 C 0.0044 0.0005 0.0024 12716 VAL 68 O 0.0043 0.0007 0.0024 12717 VAL 68 CB 0.0039 0.0002 0.0022 12718 VAL 68 CG1 0.0036 0.0002 0.0021 12719 VAL 68 CG2 0.0041 -0.0000 0.0021 12720 VAL 68 H 0.0042 0.0002 0.0022 12721 VAL 68 HA 0.0039 0.0007 0.0024 12722 VAL 68 HB 0.0039 0.0003 0.0022 12723 VAL 68 HG11 0.0037 0.0001 0.0021 12724 VAL 68 HG12 0.0035 0.0004 0.0022 12725 VAL 68 HG13 0.0035 -0.0000 0.0020 12726 VAL 68 HG21 0.0042 -0.0001 0.0021 12727 VAL 68 HG22 0.0040 -0.0002 0.0020 12728 VAL 68 HG23 0.0043 0.0000 0.0021 12729 HIS 69 N 0.0046 0.0005 0.0024 12730 HIS 69 CA 0.0049 0.0005 0.0024 12731 HIS 69 C 0.0049 0.0008 0.0025 12732 HIS 69 O 0.0050 0.0010 0.0026 12733 HIS 69 CB 0.0051 0.0004 0.0024 12734 HIS 69 CG 0.0052 0.0001 0.0023 12735 HIS 69 ND1 0.0054 -0.0000 0.0023 12736 HIS 69 CD2 0.0050 -0.0001 0.0022 12737 HIS 69 CE1 0.0054 -0.0003 0.0021 12738 HIS 69 NE2 0.0051 -0.0003 0.0021 12739 HIS 69 H 0.0046 0.0004 0.0023 12740 HIS 69 HA 0.0049 0.0004 0.0024 12741 HIS 69 HB2 0.0050 0.0005 0.0024 12742 HIS 69 HB3 0.0053 0.0005 0.0025 12743 HIS 69 HD2 0.0047 -0.0001 0.0022 12744 HIS 69 HE1 0.0056 -0.0004 0.0021 12745 HIS 69 HE2 0.0051 -0.0005 0.0020 12746 GLY 70 N 0.0049 0.0009 0.0026 12747 GLY 70 CA 0.0050 0.0012 0.0027 12748 GLY 70 C 0.0047 0.0013 0.0027 12749 GLY 70 O 0.0047 0.0016 0.0028 12750 GLY 70 H 0.0049 0.0007 0.0025 12751 GLY 70 HA2 0.0051 0.0012 0.0027 12752 GLY 70 HA3 0.0050 0.0013 0.0028 12753 LEU 71 N 0.0044 0.0012 0.0026 12754 LEU 71 CA 0.0041 0.0013 0.0026 12755 LEU 71 C 0.0040 0.0013 0.0026 12756 LEU 71 O 0.0041 0.0010 0.0025 12757 LEU 71 CB 0.0039 0.0012 0.0026 12758 LEU 71 CG 0.0039 0.0012 0.0026 12759 LEU 71 CD1 0.0036 0.0011 0.0025 12760 LEU 71 CD2 0.0039 0.0015 0.0027 12761 LEU 71 H 0.0044 0.0010 0.0026 12762 LEU 71 HA 0.0041 0.0015 0.0027 12763 LEU 71 HB2 0.0039 0.0010 0.0025 12764 LEU 71 HB3 0.0036 0.0013 0.0026 12765 LEU 71 HG 0.0040 0.0011 0.0025 12766 LEU 71 HD11 0.0035 0.0009 0.0024 12767 LEU 71 HD12 0.0036 0.0011 0.0025 12768 LEU 71 HD13 0.0034 0.0013 0.0025 12769 LEU 71 HD21 0.0041 0.0016 0.0028 12770 LEU 71 HD22 0.0038 0.0017 0.0027 12771 LEU 71 HD23 0.0039 0.0016 0.0027 12772 VAL 72 N 0.0039 0.0015 0.0027 12773 VAL 72 CA 0.0038 0.0015 0.0027 12774 VAL 72 C 0.0036 0.0013 0.0026 12775 VAL 72 O 0.0034 0.0012 0.0025 12776 VAL 72 CB 0.0038 0.0018 0.0028 12777 VAL 72 CG1 0.0035 0.0019 0.0028 12778 VAL 72 CG2 0.0039 0.0018 0.0028 12779 VAL 72 H 0.0039 0.0017 0.0028 12780 VAL 72 HA 0.0040 0.0013 0.0027 12781 VAL 72 HB 0.0039 0.0019 0.0029 12782 VAL 72 HG11 0.0035 0.0021 0.0029 12783 VAL 72 HG12 0.0034 0.0018 0.0027 12784 VAL 72 HG13 0.0034 0.0018 0.0028 12785 VAL 72 HG21 0.0039 0.0020 0.0029 12786 VAL 72 HG22 0.0042 0.0017 0.0028 12787 VAL 72 HG23 0.0038 0.0016 0.0027 12788 HIS 73 N 0.0038 0.0025 0.0018 12789 HIS 73 CA 0.0034 0.0021 0.0017 12790 HIS 73 C 0.0029 0.0023 0.0017 12791 HIS 73 O 0.0026 0.0021 0.0016 12792 HIS 73 CB 0.0034 0.0022 0.0017 12793 HIS 73 CG 0.0031 0.0018 0.0016 12794 HIS 73 ND1 0.0032 0.0012 0.0015 12795 HIS 73 CD2 0.0026 0.0018 0.0016 12796 HIS 73 CE1 0.0028 0.0010 0.0014 12797 HIS 73 NE2 0.0025 0.0013 0.0015 12798 HIS 73 H 0.0041 0.0025 0.0018 12799 HIS 73 HA 0.0035 0.0018 0.0016 12800 HIS 73 HB2 0.0038 0.0021 0.0017 12801 HIS 73 HB3 0.0033 0.0025 0.0018 12802 HIS 73 HD1 0.0035 0.0011 0.0015 12803 HIS 73 HD2 0.0024 0.0022 0.0016 12804 HIS 73 HE1 0.0028 0.0006 0.0013 12805 THR 74 N 0.0028 0.0028 0.0018 12806 THR 74 CA 0.0023 0.0031 0.0018 12807 THR 74 C 0.0022 0.0032 0.0018 12808 THR 74 O 0.0018 0.0032 0.0018 12809 THR 74 CB 0.0022 0.0036 0.0019 12810 THR 74 OG1 0.0026 0.0040 0.0020 12811 THR 74 CG2 0.0024 0.0035 0.0019 12812 THR 74 H 0.0031 0.0030 0.0018 12813 THR 74 HA 0.0020 0.0028 0.0017 12814 THR 74 HB 0.0018 0.0037 0.0019 12815 THR 74 HG1 0.0024 0.0041 0.0020 12816 THR 74 HG21 0.0020 0.0033 0.0018 12817 THR 74 HG22 0.0024 0.0038 0.0020 12818 THR 74 HG23 0.0027 0.0032 0.0019 12819 GLU 75 N 0.0027 0.0032 0.0018 12820 GLU 75 CA 0.0026 0.0033 0.0019 12821 GLU 75 C 0.0024 0.0028 0.0018 12822 GLU 75 O 0.0021 0.0029 0.0018 12823 GLU 75 CB 0.0032 0.0034 0.0019 12824 GLU 75 CG 0.0033 0.0040 0.0020 12825 GLU 75 CD 0.0038 0.0041 0.0021 12826 GLU 75 OE1 0.0043 0.0039 0.0021 12827 GLU 75 OE2 0.0038 0.0044 0.0022 12828 GLU 75 H 0.0030 0.0031 0.0019 12829 GLU 75 HA 0.0024 0.0036 0.0019 12830 GLU 75 HB2 0.0035 0.0031 0.0019 12831 GLU 75 HB3 0.0032 0.0033 0.0019 12832 GLU 75 HG2 0.0030 0.0042 0.0021 12833 GLU 75 HG3 0.0034 0.0040 0.0021 12834 VAL 76 N 0.0025 0.0024 0.0017 12835 VAL 76 CA 0.0023 0.0019 0.0016 12836 VAL 76 C 0.0017 0.0019 0.0015 12837 VAL 76 O 0.0014 0.0018 0.0015 12838 VAL 76 CB 0.0026 0.0014 0.0015 12839 VAL 76 CG1 0.0031 0.0014 0.0015 12840 VAL 76 CG2 0.0026 0.0013 0.0015 12841 VAL 76 H 0.0028 0.0023 0.0017 12842 VAL 76 HA 0.0024 0.0020 0.0016 12843 VAL 76 HB 0.0024 0.0011 0.0014 12844 VAL 76 HG11 0.0034 0.0017 0.0016 12845 VAL 76 HG12 0.0031 0.0014 0.0015 12846 VAL 76 HG13 0.0033 0.0010 0.0015 12847 VAL 76 HG21 0.0026 0.0017 0.0015 12848 VAL 76 HG22 0.0030 0.0012 0.0015 12849 VAL 76 HG23 0.0023 0.0010 0.0014 12850 VAL 77 N 0.0016 0.0019 0.0015 12851 VAL 77 CA 0.0011 0.0019 0.0015 12852 VAL 77 C 0.0007 0.0023 0.0015 12853 VAL 77 O 0.0003 0.0022 0.0015 12854 VAL 77 CB 0.0010 0.0021 0.0015 12855 VAL 77 CG1 0.0005 0.0020 0.0015 12856 VAL 77 CG2 0.0014 0.0017 0.0015 12857 VAL 77 H 0.0019 0.0020 0.0016 12858 VAL 77 HA 0.0009 0.0016 0.0014 12859 VAL 77 HB 0.0012 0.0025 0.0016 12860 VAL 77 HG11 0.0002 0.0023 0.0015 12861 VAL 77 HG12 0.0005 0.0022 0.0015 12862 VAL 77 HG13 0.0004 0.0016 0.0014 12863 VAL 77 HG21 0.0018 0.0018 0.0015 12864 VAL 77 HG22 0.0013 0.0013 0.0014 12865 VAL 77 HG23 0.0014 0.0018 0.0015 12866 GLU 78 N 0.0009 0.0028 0.0016 12867 GLU 78 CA 0.0007 0.0032 0.0017 12868 GLU 78 C 0.0006 0.0031 0.0017 12869 GLU 78 O 0.0002 0.0031 0.0017 12870 GLU 78 CB 0.0010 0.0037 0.0018 12871 GLU 78 CG 0.0008 0.0040 0.0019 12872 GLU 78 CD 0.0009 0.0045 0.0020 12873 GLU 78 OE1 0.0014 0.0047 0.0021 12874 GLU 78 OE2 0.0006 0.0049 0.0020 12875 GLU 78 H 0.0013 0.0029 0.0017 12876 GLU 78 HA 0.0003 0.0032 0.0017 12877 GLU 78 HB2 0.0014 0.0036 0.0018 12878 GLU 78 HB3 0.0008 0.0040 0.0019 12879 GLU 78 HG2 0.0004 0.0039 0.0018 12880 GLU 78 HG3 0.0010 0.0038 0.0019 12881 LEU 79 N 0.0009 0.0035 0.0021 12882 LEU 79 CA 0.0010 0.0031 0.0021 12883 LEU 79 C 0.0005 0.0026 0.0017 12884 LEU 79 O 0.0002 0.0025 0.0015 12885 LEU 79 CB 0.0017 0.0026 0.0022 12886 LEU 79 CG 0.0022 0.0027 0.0024 12887 LEU 79 CD1 0.0018 0.0025 0.0022 12888 LEU 79 CD2 0.0024 0.0034 0.0027 12889 LEU 79 H 0.0013 0.0035 0.0023 12890 LEU 79 HA 0.0010 0.0034 0.0021 12891 LEU 79 HB2 0.0020 0.0028 0.0024 12892 LEU 79 HB3 0.0016 0.0021 0.0020 12893 LEU 79 HG 0.0026 0.0023 0.0024 12894 LEU 79 HD11 0.0016 0.0020 0.0019 12895 LEU 79 HD12 0.0021 0.0024 0.0023 12896 LEU 79 HD13 0.0014 0.0029 0.0021 12897 LEU 79 HD21 0.0026 0.0035 0.0028 12898 LEU 79 HD22 0.0020 0.0038 0.0026 12899 LEU 79 HD23 0.0028 0.0034 0.0028 12900 ILE 80 N 0.0003 0.0023 0.0015 12901 ILE 80 CA -0.0002 0.0019 0.0012 12902 ILE 80 C -0.0009 0.0023 0.0010 12903 ILE 80 O -0.0013 0.0021 0.0008 12904 ILE 80 CB -0.0002 0.0015 0.0011 12905 ILE 80 CG1 0.0004 0.0010 0.0012 12906 ILE 80 CG2 -0.0008 0.0012 0.0007 12907 ILE 80 CD1 0.0007 0.0008 0.0012 12908 ILE 80 H 0.0005 0.0024 0.0017 12909 ILE 80 HA -0.0001 0.0015 0.0011 12910 ILE 80 HB -0.0001 0.0019 0.0012 12911 ILE 80 HG12 0.0003 0.0005 0.0009 12912 ILE 80 HG13 0.0008 0.0011 0.0014 12913 ILE 80 HG21 -0.0010 0.0009 0.0006 12914 ILE 80 HG22 -0.0012 0.0016 0.0007 12915 ILE 80 HG23 -0.0008 0.0009 0.0007 12916 ILE 80 HD11 0.0011 0.0004 0.0013 12917 ILE 80 HD12 0.0003 0.0006 0.0010 12918 ILE 80 HD13 0.0009 0.0013 0.0014 12919 LEU 81 N -0.0011 0.0028 0.0011 12920 LEU 81 CA -0.0017 0.0033 0.0010 12921 LEU 81 C -0.0018 0.0035 0.0011 12922 LEU 81 O -0.0024 0.0036 0.0009 12923 LEU 81 CB -0.0018 0.0039 0.0012 12924 LEU 81 CG -0.0017 0.0037 0.0012 12925 LEU 81 CD1 -0.0016 0.0043 0.0014 12926 LEU 81 CD2 -0.0023 0.0034 0.0008 12927 LEU 81 H -0.0007 0.0030 0.0013 12928 LEU 81 HA -0.0021 0.0030 0.0008 12929 LEU 81 HB2 -0.0013 0.0042 0.0015 12930 LEU 81 HB3 -0.0022 0.0042 0.0011 12931 LEU 81 HG -0.0013 0.0033 0.0012 12932 LEU 81 HD11 -0.0011 0.0045 0.0016 12933 LEU 81 HD12 -0.0017 0.0042 0.0013 12934 LEU 81 HD13 -0.0020 0.0048 0.0014 12935 LEU 81 HD21 -0.0028 0.0037 0.0007 12936 LEU 81 HD22 -0.0023 0.0033 0.0008 12937 LEU 81 HD23 -0.0024 0.0029 0.0007 12938 LYS 82 N -0.0012 0.0037 0.0013 12939 LYS 82 CA -0.0012 0.0039 0.0014 12940 LYS 82 C -0.0016 0.0034 0.0011 12941 LYS 82 O -0.0019 0.0036 0.0010 12942 LYS 82 CB -0.0005 0.0040 0.0017 12943 LYS 82 CG -0.0005 0.0044 0.0019 12944 LYS 82 CD 0.0002 0.0042 0.0021 12945 LYS 82 CE 0.0008 0.0044 0.0024 12946 LYS 82 NZ 0.0015 0.0042 0.0026 12947 LYS 82 H -0.0008 0.0036 0.0015 12948 LYS 82 HA -0.0015 0.0044 0.0014 12949 LYS 82 HB2 -0.0003 0.0042 0.0019 12950 LYS 82 HB3 -0.0003 0.0034 0.0016 12951 LYS 82 HG2 -0.0009 0.0044 0.0017 12952 LYS 82 HG3 -0.0005 0.0050 0.0020 12953 LYS 82 HD2 0.0002 0.0037 0.0019 12954 LYS 82 HD3 0.0002 0.0045 0.0021 12955 LYS 82 HE2 0.0008 0.0050 0.0025 12956 LYS 82 HE3 0.0008 0.0041 0.0023 12957 LYS 82 HZ1 0.0014 0.0045 0.0026 12958 LYS 82 HZ2 0.0015 0.0037 0.0024 12959 LYS 82 HZ3 0.0019 0.0044 0.0028 12960 SER 83 N -0.0014 0.0027 0.0010 12961 SER 83 CA -0.0016 0.0022 0.0007 12962 SER 83 C -0.0024 0.0023 0.0004 12963 SER 83 O -0.0027 0.0023 0.0003 12964 SER 83 CB -0.0014 0.0015 0.0006 12965 SER 83 OG -0.0016 0.0009 0.0004 12966 SER 83 H -0.0011 0.0026 0.0011 12967 SER 83 HA -0.0015 0.0022 0.0008 12968 SER 83 HB2 -0.0008 0.0014 0.0008 12969 SER 83 HB3 -0.0016 0.0014 0.0005 12970 SER 83 HG -0.0019 0.0006 0.0002 12971 GLY 84 N -0.0027 0.0023 0.0003 12972 GLY 84 CA -0.0035 0.0024 0.0001 12973 GLY 84 C -0.0038 0.0019 -0.0002 12974 GLY 84 O -0.0036 0.0019 -0.0001 12975 GLY 84 H -0.0025 0.0023 0.0004 12976 GLY 84 HA2 -0.0036 0.0029 0.0002 12977 GLY 84 HA3 -0.0037 0.0023 -0.0000 12978 ASN 85 N -0.0044 0.0022 -0.0010 12979 ASN 85 CA -0.0048 0.0017 -0.0015 12980 ASN 85 C -0.0043 0.0010 -0.0016 12981 ASN 85 O -0.0046 0.0005 -0.0020 12982 ASN 85 CB -0.0055 0.0015 -0.0020 12983 ASN 85 CG -0.0052 0.0010 -0.0021 12984 ASN 85 OD1 -0.0050 0.0002 -0.0024 12985 ASN 85 ND2 -0.0051 0.0013 -0.0018 12986 ASN 85 H -0.0044 0.0022 -0.0010 12987 ASN 85 HA -0.0051 0.0021 -0.0014 12988 ASN 85 HB2 -0.0058 0.0012 -0.0023 12989 ASN 85 HB3 -0.0059 0.0021 -0.0019 12990 ASN 85 HD21 -0.0052 0.0019 -0.0016 12991 ASN 85 HD22 -0.0049 0.0010 -0.0019 12992 LYS 86 N -0.0036 0.0008 -0.0012 12993 LYS 86 CA -0.0030 0.0001 -0.0013 12994 LYS 86 C -0.0022 0.0002 -0.0007 12995 LYS 86 O -0.0021 0.0008 -0.0003 12996 LYS 86 CB -0.0031 -0.0007 -0.0017 12997 LYS 86 CG -0.0030 -0.0006 -0.0016 12998 LYS 86 CD -0.0030 -0.0014 -0.0020 12999 LYS 86 CE -0.0028 -0.0014 -0.0019 13000 LYS 86 NZ -0.0019 -0.0015 -0.0014 13001 LYS 86 H -0.0034 0.0011 -0.0009 13002 LYS 86 HA -0.0031 -0.0000 -0.0014 13003 LYS 86 HB2 -0.0027 -0.0012 -0.0017 13004 LYS 86 HB3 -0.0037 -0.0008 -0.0021 13005 LYS 86 HG2 -0.0035 -0.0001 -0.0016 13006 LYS 86 HG3 -0.0024 -0.0005 -0.0012 13007 LYS 86 HD2 -0.0027 -0.0019 -0.0021 13008 LYS 86 HD3 -0.0036 -0.0015 -0.0024 13009 LYS 86 HE2 -0.0029 -0.0019 -0.0022 13010 LYS 86 HE3 -0.0030 -0.0009 -0.0017 13011 LYS 86 HZ1 -0.0017 -0.0011 -0.0011 13012 LYS 86 HZ2 -0.0017 -0.0015 -0.0013 13013 LYS 86 HZ3 -0.0016 -0.0021 -0.0015 13014 VAL 87 N -0.0017 -0.0004 -0.0007 13015 VAL 87 CA -0.0008 -0.0004 -0.0002 13016 VAL 87 C -0.0003 -0.0012 -0.0003 13017 VAL 87 O -0.0005 -0.0017 -0.0006 13018 VAL 87 CB -0.0007 0.0002 0.0003 13019 VAL 87 CG1 -0.0008 0.0000 0.0001 13020 VAL 87 CG2 0.0002 0.0004 0.0008 13021 VAL 87 H -0.0018 -0.0009 -0.0010 13022 VAL 87 HA -0.0007 -0.0002 -0.0000 13023 VAL 87 HB -0.0011 0.0008 0.0003 13024 VAL 87 HG11 -0.0005 -0.0006 -0.0001 13025 VAL 87 HG12 -0.0014 0.0002 -0.0002 13026 VAL 87 HG13 -0.0005 0.0004 0.0004 13027 VAL 87 HG21 0.0003 0.0008 0.0011 13028 VAL 87 HG22 0.0002 0.0007 0.0010 13029 VAL 87 HG23 0.0006 -0.0002 0.0008 13030 ALA 88 N 0.0004 -0.0014 0.0000 13031 ALA 88 CA 0.0010 -0.0021 0.0000 13032 ALA 88 C 0.0016 -0.0020 0.0004 13033 ALA 88 O 0.0022 -0.0018 0.0009 13034 ALA 88 CB 0.0014 -0.0024 0.0001 13035 ALA 88 H 0.0005 -0.0010 0.0003 13036 ALA 88 HA 0.0007 -0.0026 -0.0004 13037 ALA 88 HB1 0.0010 -0.0025 -0.0002 13038 ALA 88 HB2 0.0018 -0.0030 0.0001 13039 ALA 88 HB3 0.0017 -0.0020 0.0005 13040 ILE 89 N 0.0015 -0.0022 0.0003 13041 ILE 89 CA 0.0020 -0.0021 0.0006 13042 ILE 89 C 0.0027 -0.0029 0.0006 13043 ILE 89 O 0.0025 -0.0036 0.0002 13044 ILE 89 CB 0.0016 -0.0019 0.0005 13045 ILE 89 CG1 0.0022 -0.0020 0.0009 13046 ILE 89 CG2 0.0011 -0.0024 -0.0001 13047 ILE 89 CD1 0.0019 -0.0016 0.0009 13048 ILE 89 H 0.0010 -0.0024 -0.0001 13049 ILE 89 HA 0.0023 -0.0017 0.0011 13050 ILE 89 HB 0.0013 -0.0013 0.0006 13051 ILE 89 HG12 0.0025 -0.0026 0.0007 13052 ILE 89 HG13 0.0027 -0.0017 0.0013 13053 ILE 89 HG21 0.0014 -0.0031 -0.0002 13054 ILE 89 HG22 0.0007 -0.0024 -0.0003 13055 ILE 89 HG23 0.0008 -0.0022 -0.0002 13056 ILE 89 HD11 0.0023 -0.0017 0.0010 13057 ILE 89 HD12 0.0014 -0.0017 0.0005 13058 ILE 89 HD13 0.0018 -0.0009 0.0011 13059 SER 90 N 0.0034 -0.0029 0.0011 13060 SER 90 CA 0.0040 -0.0036 0.0011 13061 SER 90 C 0.0045 -0.0037 0.0013 13062 SER 90 O 0.0048 -0.0032 0.0018 13063 SER 90 CB 0.0046 -0.0036 0.0014 13064 SER 90 OG 0.0050 -0.0044 0.0013 13065 SER 90 H 0.0035 -0.0024 0.0014 13066 SER 90 HA 0.0038 -0.0041 0.0007 13067 SER 90 HB2 0.0043 -0.0033 0.0014 13068 SER 90 HB3 0.0050 -0.0033 0.0019 13069 SER 90 HG 0.0047 -0.0048 0.0009 13070 THR 91 N 0.0071 -0.0057 0.0023 13071 THR 91 CA 0.0040 -0.0039 0.0022 13072 THR 91 C 0.0028 -0.0023 0.0018 13073 THR 91 O 0.0045 -0.0025 0.0017 13074 THR 91 CB 0.0044 -0.0013 0.0013 13075 THR 91 OG1 0.0067 0.0010 0.0003 13076 THR 91 CG2 0.0055 -0.0029 0.0017 13077 THR 91 H 0.0091 -0.0046 0.0017 13078 THR 91 HA 0.0021 -0.0055 0.0029 13079 THR 91 HB 0.0020 -0.0001 0.0013 13080 THR 91 HG1 0.0058 0.0031 -0.0003 13081 THR 91 HG21 0.0079 -0.0042 0.0018 13082 THR 91 HG22 0.0037 -0.0046 0.0024 13083 THR 91 HG23 0.0058 -0.0011 0.0011 13084 THR 92 N -0.0002 -0.0007 0.0017 13085 THR 92 CA -0.0016 0.0008 0.0014 13086 THR 92 C -0.0013 0.0045 0.0003 13087 THR 92 O -0.0031 0.0062 -0.0001 13088 THR 92 CB -0.0053 -0.0001 0.0022 13089 THR 92 OG1 -0.0067 0.0015 0.0019 13090 THR 92 CG2 -0.0074 0.0007 0.0022 13091 THR 92 H -0.0014 -0.0005 0.0018 13092 THR 92 HA -0.0002 -0.0002 0.0016 13093 THR 92 HB -0.0053 -0.0026 0.0030 13094 THR 92 HG1 -0.0052 0.0032 0.0012 13095 THR 92 HG21 -0.0062 -0.0004 0.0024 13096 THR 92 HG22 -0.0098 -0.0002 0.0028 13097 THR 92 HG23 -0.0076 0.0033 0.0014 13098 PRO 93 N 0.0010 0.0057 -0.0004 13099 PRO 93 CA 0.0015 0.0092 -0.0016 13100 PRO 93 C -0.0018 0.0110 -0.0017 13101 PRO 93 O -0.0043 0.0096 -0.0010 13102 PRO 93 CB 0.0039 0.0094 -0.0020 13103 PRO 93 CG 0.0059 0.0063 -0.0013 13104 PRO 93 CD 0.0036 0.0038 -0.0002 13105 PRO 93 HA 0.0025 0.0102 -0.0020 13106 PRO 93 HB2 0.0025 0.0097 -0.0019 13107 PRO 93 HB3 0.0055 0.0115 -0.0028 13108 PRO 93 HG2 0.0068 0.0057 -0.0012 13109 PRO 93 HG3 0.0080 0.0065 -0.0016 13110 PRO 93 HD2 0.0025 0.0026 0.0003 13111 PRO 93 HD3 0.0049 0.0021 0.0002 13112 LEU 94 N -0.0016 0.0142 -0.0027 13113 LEU 94 CA -0.0045 0.0163 -0.0030 13114 LEU 94 C -0.0055 0.0160 -0.0028 13115 LEU 94 O -0.0034 0.0150 -0.0028 13116 LEU 94 CB -0.0038 0.0198 -0.0042 13117 LEU 94 CG -0.0003 0.0204 -0.0049 13118 LEU 94 CD1 0.0022 0.0204 -0.0052 13119 LEU 94 CD2 -0.0002 0.0236 -0.0059 13120 LEU 94 H 0.0005 0.0152 -0.0033 13121 LEU 94 HA -0.0066 0.0156 -0.0025 13122 LEU 94 HB2 -0.0042 0.0212 -0.0046 13123 LEU 94 HB3 -0.0055 0.0207 -0.0043 13124 LEU 94 HG 0.0005 0.0186 -0.0044 13125 LEU 94 HD11 0.0030 0.0179 -0.0045 13126 LEU 94 HD12 0.0043 0.0218 -0.0059 13127 LEU 94 HD13 0.0009 0.0214 -0.0053 13128 LEU 94 HD21 -0.0020 0.0236 -0.0056 13129 LEU 94 HD22 -0.0009 0.0255 -0.0064 13130 LEU 94 HD23 0.0023 0.0240 -0.0063 13131 GLU 95 N -0.0086 0.0170 -0.0027 13132 GLU 95 CA -0.0098 0.0168 -0.0025 13133 GLU 95 C -0.0127 0.0193 -0.0029 13134 GLU 95 O -0.0142 0.0204 -0.0030 13135 GLU 95 CB -0.0109 0.0134 -0.0013 13136 GLU 95 CG -0.0142 0.0125 -0.0006 13137 GLU 95 CD -0.0139 0.0115 -0.0003 13138 GLU 95 OE1 -0.0132 0.0086 0.0005 13139 GLU 95 OE2 -0.0144 0.0136 -0.0009 13140 GLU 95 H -0.0101 0.0178 -0.0028 13141 GLU 95 HA -0.0078 0.0174 -0.0029 13142 GLU 95 HB2 -0.0112 0.0132 -0.0012 13143 GLU 95 HB3 -0.0090 0.0117 -0.0010 13144 GLU 95 HG2 -0.0159 0.0146 -0.0010 13145 GLU 95 HG3 -0.0152 0.0105 0.0002 13146 ASN 96 N -0.0134 0.0201 -0.0030 13147 ASN 96 CA -0.0161 0.0224 -0.0034 13148 ASN 96 C -0.0194 0.0208 -0.0025 13149 ASN 96 O -0.0195 0.0179 -0.0015 13150 ASN 96 CB -0.0156 0.0238 -0.0039 13151 ASN 96 CG -0.0161 0.0213 -0.0031 13152 ASN 96 OD1 -0.0189 0.0209 -0.0025 13153 ASN 96 ND2 -0.0134 0.0198 -0.0029 13154 ASN 96 OXT -0.0220 0.0226 -0.0027 13155 ASN 96 H -0.0121 0.0190 -0.0029 13156 ASN 96 HA -0.0160 0.0243 -0.0040 13157 ASN 96 HB2 -0.0173 0.0258 -0.0043 13158 ASN 96 HB3 -0.0131 0.0246 -0.0045 13159 ASN 96 HD21 -0.0112 0.0203 -0.0034 13160 ASN 96 HD22 -0.0137 0.0182 -0.0024 13161 SER 101 N 0.0014 0.0008 -0.0002 13162 SER 101 CA 0.0007 0.0012 0.0006 13163 SER 101 C 0.0010 0.0014 0.0013 13164 SER 101 O 0.0008 0.0014 0.0013 13165 SER 101 CB 0.0007 0.0013 0.0009 13166 SER 101 OG 0.0005 0.0011 0.0001 13167 SER 101 H1 0.0012 0.0007 -0.0006 13168 SER 101 H2 0.0020 0.0007 0.0001 13169 SER 101 H3 0.0013 0.0007 -0.0005 13170 SER 101 HA 0.0000 0.0013 0.0003 13171 SER 101 HB2 0.0014 0.0012 0.0012 13172 SER 101 HB3 0.0002 0.0016 0.0013 13173 SER 101 HG -0.0000 0.0013 0.0002 13174 TRP 102 N 0.0015 0.0015 0.0021 13175 TRP 102 CA 0.0018 0.0017 0.0028 13176 TRP 102 C 0.0028 0.0015 0.0031 13177 TRP 102 O 0.0031 0.0017 0.0039 13178 TRP 102 CB 0.0012 0.0021 0.0036 13179 TRP 102 CG 0.0007 0.0023 0.0039 13180 TRP 102 CD1 -0.0002 0.0026 0.0039 13181 TRP 102 CD2 0.0012 0.0023 0.0042 13182 TRP 102 NE1 -0.0003 0.0027 0.0042 13183 TRP 102 CE2 0.0005 0.0025 0.0044 13184 TRP 102 CE3 0.0021 0.0021 0.0044 13185 TRP 102 CZ2 0.0007 0.0026 0.0048 13186 TRP 102 CZ3 0.0023 0.0022 0.0047 13187 TRP 102 CH2 0.0016 0.0024 0.0049 13188 TRP 102 H 0.0016 0.0015 0.0021 13189 TRP 102 HA 0.0018 0.0016 0.0026 13190 TRP 102 HB2 0.0006 0.0022 0.0034 13191 TRP 102 HB3 0.0016 0.0022 0.0042 13192 TRP 102 HD1 -0.0007 0.0026 0.0037 13193 TRP 102 HE1 -0.0009 0.0029 0.0043 13194 TRP 102 HE3 0.0027 0.0019 0.0042 13195 TRP 102 HZ2 0.0002 0.0028 0.0049 13196 TRP 102 HZ3 0.0030 0.0020 0.0048 13197 TRP 102 HH2 0.0018 0.0025 0.0051 13198 GLU 103 N 0.0033 0.0012 0.0025 13199 GLU 103 CA 0.0043 0.0010 0.0027 13200 GLU 103 C 0.0049 0.0009 0.0029 13201 GLU 103 O 0.0052 0.0011 0.0037 13202 GLU 103 CB 0.0046 0.0006 0.0019 13203 GLU 103 CG 0.0040 0.0006 0.0015 13204 GLU 103 CD 0.0034 0.0005 0.0007 13205 GLU 103 OE1 0.0030 0.0007 0.0008 13206 GLU 103 OE2 0.0033 0.0003 -0.0000 13207 GLU 103 H 0.0031 0.0010 0.0019 13208 GLU 103 HA 0.0043 0.0012 0.0033 13209 GLU 103 HB2 0.0048 0.0004 0.0014 13210 GLU 103 HB3 0.0053 0.0005 0.0021 13211 GLU 103 HG2 0.0044 0.0005 0.0012 13212 GLU 103 HG3 0.0036 0.0009 0.0020 13213 SER 104 N 0.0050 0.0007 0.0023 13214 SER 104 CA 0.0055 0.0006 0.0024 13215 SER 104 C 0.0052 0.0004 0.0017 13216 SER 104 O 0.0045 0.0004 0.0012 13217 SER 104 CB 0.0066 0.0003 0.0024 13218 SER 104 OG 0.0068 0.0005 0.0031 13219 SER 104 H 0.0047 0.0005 0.0017 13220 SER 104 HA 0.0054 0.0008 0.0030 13221 SER 104 HB2 0.0067 0.0000 0.0018 13222 SER 104 HB3 0.0069 0.0002 0.0025 13223 SER 104 HG 0.0063 0.0007 0.0034 13224 HIS 105 N 0.0058 0.0002 0.0015 13225 HIS 105 CA 0.0057 0.0000 0.0009 13226 HIS 105 C 0.0057 -0.0003 -0.0001 13227 HIS 105 O 0.0064 -0.0006 -0.0005 13228 HIS 105 CB 0.0063 -0.0001 0.0010 13229 HIS 105 CG 0.0073 -0.0003 0.0013 13230 HIS 105 ND1 0.0080 -0.0006 0.0007 13231 HIS 105 CD2 0.0077 -0.0001 0.0021 13232 HIS 105 CE1 0.0087 -0.0007 0.0012 13233 HIS 105 NE2 0.0086 -0.0003 0.0021 13234 HIS 105 H 0.0064 0.0002 0.0019 13235 HIS 105 HA 0.0050 0.0002 0.0009 13236 HIS 105 HB2 0.0063 -0.0003 0.0004 13237 HIS 105 HB3 0.0061 0.0001 0.0015 13238 HIS 105 HD2 0.0073 0.0002 0.0028 13239 HIS 105 HE1 0.0094 -0.0009 0.0009 13240 HIS 105 HE2 0.0090 -0.0003 0.0025 13241 LYS 106 N 0.0050 -0.0003 -0.0005 13242 LYS 106 CA 0.0050 -0.0006 -0.0014 13243 LYS 106 C 0.0045 -0.0007 -0.0021 13244 LYS 106 O 0.0043 -0.0009 -0.0028 13245 LYS 106 CB 0.0044 -0.0004 -0.0014 13246 LYS 106 CG 0.0050 -0.0004 -0.0010 13247 LYS 106 CD 0.0045 -0.0004 -0.0012 13248 LYS 106 CE 0.0051 -0.0005 -0.0010 13249 LYS 106 NZ 0.0046 -0.0004 -0.0011 13250 LYS 106 H 0.0044 -0.0000 -0.0001 13251 LYS 106 HA 0.0057 -0.0008 -0.0015 13252 LYS 106 HB2 0.0038 -0.0001 -0.0010 13253 LYS 106 HB3 0.0042 -0.0006 -0.0021 13254 LYS 106 HG2 0.0056 -0.0007 -0.0013 13255 LYS 106 HG3 0.0051 -0.0002 -0.0003 13256 LYS 106 HD2 0.0039 -0.0001 -0.0008 13257 LYS 106 HD3 0.0042 -0.0005 -0.0019 13258 LYS 106 HE2 0.0057 -0.0008 -0.0014 13259 LYS 106 HE3 0.0054 -0.0003 -0.0003 13260 LYS 106 HZ1 0.0041 -0.0001 -0.0007 13261 LYS 106 HZ2 0.0051 -0.0005 -0.0010 13262 LYS 106 HZ3 0.0044 -0.0005 -0.0018 13263 SER 107 N 0.0044 0.0013 0.0008 13264 SER 107 CA 0.0042 0.0015 0.0007 13265 SER 107 C 0.0039 0.0016 0.0006 13266 SER 107 O 0.0037 0.0017 0.0005 13267 SER 107 CB 0.0040 0.0014 0.0007 13268 SER 107 OG 0.0040 0.0011 0.0009 13269 SER 107 H 0.0043 0.0012 0.0009 13270 SER 107 HA 0.0043 0.0017 0.0006 13271 SER 107 HB2 0.0037 0.0014 0.0007 13272 SER 107 HB3 0.0041 0.0015 0.0007 13273 SER 107 HG 0.0039 0.0010 0.0009 13274 GLY 108 N 0.0040 0.0016 0.0006 13275 GLY 108 CA 0.0038 0.0017 0.0005 13276 GLY 108 C 0.0039 0.0016 0.0006 13277 GLY 108 O 0.0042 0.0017 0.0006 13278 GLY 108 H 0.0042 0.0015 0.0007 13279 GLY 108 HA2 0.0038 0.0019 0.0004 13280 GLY 108 HA3 0.0035 0.0016 0.0005 13281 GLY 109 N 0.0037 0.0014 0.0007 13282 GLY 109 CA 0.0037 0.0013 0.0007 13283 GLY 109 C 0.0035 0.0010 0.0008 13284 GLY 109 O 0.0035 0.0008 0.0009 13285 GLY 109 H 0.0034 0.0014 0.0006 13286 GLY 109 HA2 0.0040 0.0012 0.0008 13287 GLY 109 HA3 0.0037 0.0015 0.0006 13288 GLU 110 N 0.0034 0.0010 0.0008 13289 GLU 110 CA 0.0031 0.0008 0.0009 13290 GLU 110 C 0.0028 0.0009 0.0008 13291 GLU 110 O 0.0026 0.0007 0.0008 13292 GLU 110 CB 0.0033 0.0007 0.0010 13293 GLU 110 CG 0.0036 0.0006 0.0011 13294 GLU 110 CD 0.0037 0.0004 0.0012 13295 GLU 110 OE1 0.0038 0.0005 0.0012 13296 GLU 110 OE2 0.0036 0.0001 0.0014 13297 GLU 110 H 0.0034 0.0012 0.0007 13298 GLU 110 HA 0.0031 0.0006 0.0010 13299 GLU 110 HB2 0.0033 0.0008 0.0009 13300 GLU 110 HB3 0.0031 0.0005 0.0011 13301 GLU 110 HG2 0.0036 0.0005 0.0012 13302 GLU 110 HG3 0.0038 0.0008 0.0010 13303 THR 111 N 0.0027 0.0011 0.0006 13304 THR 111 CA 0.0024 0.0012 0.0005 13305 THR 111 C 0.0021 0.0009 0.0006 13306 THR 111 O 0.0021 0.0009 0.0006 13307 THR 111 CB 0.0023 0.0014 0.0004 13308 THR 111 OG1 0.0026 0.0016 0.0003 13309 THR 111 CG2 0.0020 0.0015 0.0002 13310 THR 111 H 0.0028 0.0011 0.0006 13311 THR 111 HA 0.0023 0.0012 0.0005 13312 THR 111 HB 0.0024 0.0014 0.0004 13313 THR 111 HG1 0.0028 0.0016 0.0004 13314 THR 111 HG21 0.0020 0.0016 0.0002 13315 THR 111 HG22 0.0018 0.0014 0.0003 13316 THR 111 HG23 0.0020 0.0017 0.0001 13317 ARG 112 N 0.0020 0.0007 0.0007 13318 ARG 112 CA 0.0018 0.0005 0.0008 13319 ARG 112 C 0.0014 0.0006 0.0006 13320 ARG 112 O 0.0014 0.0008 0.0005 13321 ARG 112 CB 0.0018 0.0003 0.0009 13322 ARG 112 CG 0.0016 0.0003 0.0008 13323 ARG 112 CD 0.0017 0.0001 0.0010 13324 ARG 112 NE 0.0020 0.0002 0.0010 13325 ARG 112 CZ 0.0020 0.0003 0.0009 13326 ARG 112 NH1 0.0018 0.0004 0.0008 13327 ARG 112 NH2 0.0023 0.0004 0.0009 13328 ARG 112 H 0.0021 0.0008 0.0007 13329 ARG 112 HA 0.0018 0.0004 0.0008 13330 ARG 112 HB2 0.0016 0.0001 0.0010 13331 ARG 112 HB3 0.0020 0.0002 0.0010 13332 ARG 112 HG2 0.0018 0.0006 0.0007 13333 ARG 112 HG3 0.0014 0.0004 0.0008 13334 ARG 112 HD2 0.0015 0.0001 0.0009 13335 ARG 112 HD3 0.0017 -0.0001 0.0011 13336 ARG 112 HE 0.0022 0.0001 0.0011 13337 ARG 112 HH11 0.0016 0.0004 0.0008 13338 ARG 112 HH12 0.0018 0.0005 0.0008 13339 ARG 112 HH21 0.0025 0.0003 0.0010 13340 ARG 112 HH22 0.0024 0.0005 0.0009 13341 LEU 113 N 0.0001 0.0017 0.0010 13342 LEU 113 CA -0.0004 0.0017 0.0007 13343 LEU 113 C -0.0010 0.0016 0.0004 13344 LEU 113 O -0.0014 0.0013 0.0002 13345 LEU 113 CB -0.0003 0.0012 0.0007 13346 LEU 113 CG 0.0001 0.0015 0.0009 13347 LEU 113 CD1 -0.0002 0.0021 0.0008 13348 LEU 113 CD2 0.0008 0.0017 0.0012 13349 LEU 113 OXT -0.0011 0.0019 0.0004 13350 LEU 113 H 0.0003 0.0012 0.0010 13351 LEU 113 HA -0.0004 0.0023 0.0008 13352 LEU 113 HB2 -0.0000 0.0008 0.0008 13353 LEU 113 HB3 -0.0007 0.0011 0.0005 13354 LEU 113 HG 0.0002 0.0011 0.0009 13355 LEU 113 HD11 -0.0003 0.0025 0.0008 13356 LEU 113 HD12 -0.0007 0.0020 0.0006 13357 LEU 113 HD13 0.0001 0.0023 0.0010 13358 LEU 113 HD21 0.0010 0.0012 0.0013 13359 LEU 113 HD22 0.0008 0.0021 0.0013 13360 LEU 113 HD23 0.0011 0.0018 0.0014 13361 GLY 1 N -0.0118 -0.0003 0.0126 13362 GLY 1 CA -0.0097 -0.0003 0.0107 13363 GLY 1 C -0.0069 -0.0021 0.0093 13364 GLY 1 O -0.0066 -0.0030 0.0096 13365 GLY 1 H1 -0.0136 0.0012 0.0134 13366 GLY 1 H2 -0.0118 -0.0025 0.0140 13367 GLY 1 H3 -0.0114 0.0004 0.0119 13368 GLY 1 HA2 -0.0098 0.0021 0.0093 13369 GLY 1 HA3 -0.0100 -0.0012 0.0116 13370 GLY 2 N -0.0049 -0.0027 0.0079 13371 GLY 2 CA -0.0022 -0.0045 0.0066 13372 GLY 2 C -0.0011 -0.0076 0.0076 13373 GLY 2 O -0.0026 -0.0086 0.0095 13374 GLY 2 H -0.0053 -0.0020 0.0078 13375 GLY 2 HA2 -0.0021 -0.0048 0.0067 13376 GLY 2 HA3 -0.0009 -0.0032 0.0046 13377 SER 3 N 0.0015 -0.0091 0.0062 13378 SER 3 CA 0.0028 -0.0121 0.0069 13379 SER 3 C 0.0054 -0.0122 0.0047 13380 SER 3 O 0.0066 -0.0106 0.0025 13381 SER 3 CB 0.0034 -0.0146 0.0080 13382 SER 3 OG 0.0010 -0.0143 0.0099 13383 SER 3 H 0.0026 -0.0082 0.0046 13384 SER 3 HA 0.0014 -0.0124 0.0083 13385 SER 3 HB2 0.0049 -0.0144 0.0065 13386 SER 3 HB3 0.0041 -0.0168 0.0087 13387 SER 3 HG 0.0008 -0.0129 0.0092 13388 MET 4 N 0.0062 -0.0142 0.0052 13389 MET 4 CA 0.0086 -0.0145 0.0032 13390 MET 4 C 0.0084 -0.0116 0.0015 13391 MET 4 O 0.0095 -0.0099 -0.0005 13392 MET 4 CB 0.0111 -0.0157 0.0017 13393 MET 4 CG 0.0118 -0.0190 0.0031 13394 MET 4 SD 0.0142 -0.0200 0.0016 13395 MET 4 CE 0.0171 -0.0198 -0.0012 13396 MET 4 H 0.0051 -0.0153 0.0069 13397 MET 4 HA 0.0088 -0.0162 0.0041 13398 MET 4 HB2 0.0107 -0.0142 0.0011 13399 MET 4 HB3 0.0128 -0.0155 0.0001 13400 MET 4 HG2 0.0126 -0.0205 0.0034 13401 MET 4 HG3 0.0100 -0.0192 0.0049 13402 MET 4 HE1 0.0168 -0.0174 -0.0023 13403 MET 4 HE2 0.0188 -0.0206 -0.0022 13404 MET 4 HE3 0.0175 -0.0212 -0.0006 13405 ARG 5 N 0.0070 -0.0109 0.0024 13406 ARG 5 CA 0.0066 -0.0081 0.0010 13407 ARG 5 C 0.0092 -0.0084 -0.0012 13408 ARG 5 O 0.0108 -0.0109 -0.0010 13409 ARG 5 CB 0.0043 -0.0075 0.0026 13410 ARG 5 CG 0.0016 -0.0067 0.0046 13411 ARG 5 CD 0.0009 -0.0095 0.0069 13412 ARG 5 NE -0.0017 -0.0088 0.0089 13413 ARG 5 CZ -0.0031 -0.0107 0.0113 13414 ARG 5 NH1 -0.0020 -0.0134 0.0121 13415 ARG 5 NH2 -0.0055 -0.0098 0.0129 13416 ARG 5 H 0.0061 -0.0123 0.0040 13417 ARG 5 HA 0.0061 -0.0063 0.0002 13418 ARG 5 HB2 0.0047 -0.0095 0.0036 13419 ARG 5 HB3 0.0043 -0.0056 0.0015 13420 ARG 5 HG2 0.0001 -0.0053 0.0051 13421 ARG 5 HG3 0.0015 -0.0054 0.0038 13422 ARG 5 HD2 0.0024 -0.0108 0.0065 13423 ARG 5 HD3 0.0011 -0.0108 0.0077 13424 ARG 5 HE -0.0025 -0.0067 0.0083 13425 ARG 5 HH11 -0.0002 -0.0141 0.0108 13426 ARG 5 HH12 -0.0030 -0.0149 0.0139 13427 ARG 5 HH21 -0.0063 -0.0077 0.0123 13428 ARG 5 HH22 -0.0065 -0.0112 0.0147 13429 PRO 6 N 0.0097 -0.0058 -0.0033 13430 PRO 6 CA 0.0122 -0.0057 -0.0055 13431 PRO 6 C 0.0118 -0.0050 -0.0057 13432 PRO 6 O 0.0102 -0.0024 -0.0059 13433 PRO 6 CB 0.0126 -0.0031 -0.0076 13434 PRO 6 CG 0.0102 -0.0016 -0.0064 13435 PRO 6 CD 0.0081 -0.0027 -0.0037 13436 PRO 6 HA 0.0138 -0.0078 -0.0057 13437 PRO 6 HB2 0.0130 -0.0015 -0.0089 13438 PRO 6 HB3 0.0144 -0.0040 -0.0086 13439 PRO 6 HG2 0.0095 0.0009 -0.0073 13440 PRO 6 HG3 0.0106 -0.0022 -0.0064 13441 PRO 6 HD2 0.0070 -0.0014 -0.0036 13442 PRO 6 HD3 0.0067 -0.0027 -0.0025 13443 PRO 7 N 0.0045 -0.0053 -0.0005 13444 PRO 7 CA 0.0038 -0.0046 -0.0004 13445 PRO 7 C 0.0029 -0.0048 -0.0010 13446 PRO 7 O 0.0025 -0.0052 -0.0014 13447 PRO 7 CB 0.0037 -0.0040 -0.0001 13448 PRO 7 CG 0.0045 -0.0043 0.0001 13449 PRO 7 CD 0.0048 -0.0053 -0.0003 13450 PRO 7 HA 0.0039 -0.0042 -0.0001 13451 PRO 7 HB2 0.0031 -0.0040 -0.0004 13452 PRO 7 HB3 0.0037 -0.0033 0.0003 13453 PRO 7 HG2 0.0044 -0.0042 0.0001 13454 PRO 7 HG3 0.0051 -0.0040 0.0006 13455 PRO 7 HD2 0.0044 -0.0056 -0.0007 13456 PRO 7 HD3 0.0055 -0.0055 -0.0001 13457 ILE 8 N 0.0025 -0.0046 -0.0011 13458 ILE 8 CA 0.0016 -0.0047 -0.0016 13459 ILE 8 C 0.0009 -0.0040 -0.0015 13460 ILE 8 O 0.0008 -0.0032 -0.0012 13461 ILE 8 CB 0.0015 -0.0048 -0.0017 13462 ILE 8 CG1 0.0024 -0.0053 -0.0015 13463 ILE 8 CG2 0.0008 -0.0053 -0.0023 13464 ILE 8 CD1 0.0026 -0.0048 -0.0011 13465 ILE 8 H 0.0028 -0.0043 -0.0008 13466 ILE 8 HA 0.0015 -0.0053 -0.0020 13467 ILE 8 HB 0.0013 -0.0042 -0.0014 13468 ILE 8 HG12 0.0023 -0.0059 -0.0019 13469 ILE 8 HG13 0.0029 -0.0053 -0.0013 13470 ILE 8 HG21 0.0002 -0.0051 -0.0025 13471 ILE 8 HG22 0.0006 -0.0052 -0.0024 13472 ILE 8 HG23 0.0011 -0.0060 -0.0026 13473 ILE 8 HD11 0.0032 -0.0052 -0.0011 13474 ILE 8 HD12 0.0021 -0.0046 -0.0013 13475 ILE 8 HD13 0.0028 -0.0042 -0.0007 13476 ILE 9 N 0.0004 -0.0042 -0.0019 13477 ILE 9 CA -0.0002 -0.0035 -0.0018 13478 ILE 9 C -0.0011 -0.0033 -0.0021 13479 ILE 9 O -0.0016 -0.0038 -0.0027 13480 ILE 9 CB -0.0004 -0.0037 -0.0021 13481 ILE 9 CG1 0.0004 -0.0043 -0.0020 13482 ILE 9 CG2 -0.0008 -0.0029 -0.0018 13483 ILE 9 CD1 0.0011 -0.0038 -0.0013 13484 ILE 9 H 0.0006 -0.0047 -0.0021 13485 ILE 9 HA 0.0000 -0.0029 -0.0013 13486 ILE 9 HB -0.0009 -0.0041 -0.0026 13487 ILE 9 HG12 0.0007 -0.0048 -0.0021 13488 ILE 9 HG13 0.0002 -0.0045 -0.0022 13489 ILE 9 HG21 -0.0015 -0.0026 -0.0019 13490 ILE 9 HG22 -0.0009 -0.0031 -0.0020 13491 ILE 9 HG23 -0.0004 -0.0025 -0.0013 13492 ILE 9 HD11 0.0016 -0.0042 -0.0013 13493 ILE 9 HD12 0.0013 -0.0036 -0.0011 13494 ILE 9 HD13 0.0008 -0.0033 -0.0011 13495 ILE 10 N -0.0012 -0.0026 -0.0018 13496 ILE 10 CA -0.0020 -0.0023 -0.0021 13497 ILE 10 C -0.0028 -0.0019 -0.0022 13498 ILE 10 O -0.0026 -0.0016 -0.0019 13499 ILE 10 CB -0.0020 -0.0017 -0.0017 13500 ILE 10 CG1 -0.0012 -0.0021 -0.0015 13501 ILE 10 CG2 -0.0028 -0.0015 -0.0020 13502 ILE 10 CD1 -0.0007 -0.0014 -0.0008 13503 ILE 10 H -0.0008 -0.0023 -0.0014 13504 ILE 10 HA -0.0022 -0.0029 -0.0025 13505 ILE 10 HB -0.0019 -0.0011 -0.0013 13506 ILE 10 HG12 -0.0014 -0.0023 -0.0018 13507 ILE 10 HG13 -0.0007 -0.0026 -0.0015 13508 ILE 10 HG21 -0.0027 -0.0011 -0.0017 13509 ILE 10 HG22 -0.0029 -0.0021 -0.0024 13510 ILE 10 HG23 -0.0034 -0.0012 -0.0021 13511 ILE 10 HD11 -0.0003 -0.0012 -0.0005 13512 ILE 10 HD12 -0.0003 -0.0016 -0.0008 13513 ILE 10 HD13 -0.0012 -0.0008 -0.0008 13514 HIS 11 N -0.0036 -0.0018 -0.0026 13515 HIS 11 CA -0.0043 -0.0014 -0.0027 13516 HIS 11 C -0.0050 -0.0008 -0.0028 13517 HIS 11 O -0.0054 -0.0012 -0.0032 13518 HIS 11 CB -0.0047 -0.0020 -0.0033 13519 HIS 11 CG -0.0054 -0.0016 -0.0034 13520 HIS 11 ND1 -0.0063 -0.0015 -0.0038 13521 HIS 11 CD2 -0.0053 -0.0012 -0.0031 13522 HIS 11 CE1 -0.0068 -0.0011 -0.0038 13523 HIS 11 NE2 -0.0062 -0.0009 -0.0034 13524 HIS 11 H -0.0037 -0.0021 -0.0028 13525 HIS 11 HA -0.0041 -0.0010 -0.0023 13526 HIS 11 HB2 -0.0042 -0.0025 -0.0033 13527 HIS 11 HB3 -0.0051 -0.0024 -0.0037 13528 HIS 11 HD2 -0.0047 -0.0012 -0.0028 13529 HIS 11 HE1 -0.0075 -0.0010 -0.0041 13530 HIS 11 HE2 -0.0063 -0.0005 -0.0032 13531 ARG 12 N -0.0051 0.0000 -0.0023 13532 ARG 12 CA -0.0058 0.0006 -0.0023 13533 ARG 12 C -0.0067 0.0005 -0.0028 13534 ARG 12 O -0.0071 0.0008 -0.0029 13535 ARG 12 CB -0.0057 0.0015 -0.0017 13536 ARG 12 CG -0.0063 0.0022 -0.0016 13537 ARG 12 CD -0.0061 0.0031 -0.0010 13538 ARG 12 NE -0.0067 0.0037 -0.0010 13539 ARG 12 CZ -0.0071 0.0045 -0.0007 13540 ARG 12 NH1 -0.0069 0.0048 -0.0004 13541 ARG 12 NH2 -0.0077 0.0051 -0.0007 13542 ARG 12 H -0.0048 0.0003 -0.0020 13543 ARG 12 HA -0.0056 0.0004 -0.0023 13544 ARG 12 HB2 -0.0050 0.0016 -0.0014 13545 ARG 12 HB3 -0.0059 0.0017 -0.0017 13546 ARG 12 HG2 -0.0070 0.0022 -0.0020 13547 ARG 12 HG3 -0.0061 0.0020 -0.0017 13548 ARG 12 HD2 -0.0054 0.0031 -0.0007 13549 ARG 12 HD3 -0.0062 0.0032 -0.0010 13550 ARG 12 HE -0.0069 0.0036 -0.0012 13551 ARG 12 HH11 -0.0064 0.0044 -0.0005 13552 ARG 12 HH12 -0.0072 0.0054 -0.0002 13553 ARG 12 HH21 -0.0078 0.0049 -0.0009 13554 ARG 12 HH22 -0.0080 0.0057 -0.0005 13555 ALA 13 N -0.0077 -0.0006 -0.0033 13556 ALA 13 CA -0.0088 -0.0008 -0.0039 13557 ALA 13 C -0.0094 0.0003 -0.0038 13558 ALA 13 O -0.0099 0.0003 -0.0041 13559 ALA 13 CB -0.0088 -0.0018 -0.0042 13560 ALA 13 H -0.0071 -0.0009 -0.0031 13561 ALA 13 HA -0.0091 -0.0009 -0.0041 13562 ALA 13 HB1 -0.0096 -0.0018 -0.0046 13563 ALA 13 HB2 -0.0084 -0.0017 -0.0040 13564 ALA 13 HB3 -0.0085 -0.0025 -0.0043 13565 GLY 14 N -0.0093 0.0013 -0.0035 13566 GLY 14 CA -0.0098 0.0023 -0.0035 13567 GLY 14 C -0.0091 0.0028 -0.0030 13568 GLY 14 O -0.0090 0.0038 -0.0026 13569 GLY 14 H -0.0089 0.0012 -0.0033 13570 GLY 14 HA2 -0.0099 0.0029 -0.0033 13571 GLY 14 HA3 -0.0106 0.0022 -0.0039 13572 LYS 15 N -0.0088 0.0022 -0.0030 13573 LYS 15 CA -0.0082 0.0025 -0.0026 13574 LYS 15 C -0.0070 0.0027 -0.0020 13575 LYS 15 O -0.0068 0.0036 -0.0017 13576 LYS 15 CB -0.0081 0.0017 -0.0029 13577 LYS 15 CG -0.0082 0.0005 -0.0032 13578 LYS 15 CD -0.0081 -0.0004 -0.0034 13579 LYS 15 CE -0.0089 -0.0001 -0.0038 13580 LYS 15 NZ -0.0089 -0.0010 -0.0040 13581 LYS 15 H -0.0090 0.0014 -0.0033 13582 LYS 15 HA -0.0085 0.0033 -0.0026 13583 LYS 15 HB2 -0.0074 0.0017 -0.0025 13584 LYS 15 HB3 -0.0088 0.0019 -0.0031 13585 LYS 15 HG2 -0.0090 0.0004 -0.0036 13586 LYS 15 HG3 -0.0076 0.0002 -0.0030 13587 LYS 15 HD2 -0.0081 -0.0012 -0.0037 13588 LYS 15 HD3 -0.0073 -0.0003 -0.0030 13589 LYS 15 HE2 -0.0089 0.0007 -0.0035 13590 LYS 15 HE3 -0.0097 -0.0001 -0.0041 13591 LYS 15 HZ1 -0.0081 -0.0011 -0.0037 13592 LYS 15 HZ2 -0.0091 -0.0017 -0.0043 13593 LYS 15 HZ3 -0.0094 -0.0007 -0.0042 13594 LYS 16 N -0.0063 0.0018 -0.0020 13595 LYS 16 CA -0.0052 0.0018 -0.0014 13596 LYS 16 C -0.0046 0.0007 -0.0015 13597 LYS 16 O -0.0051 -0.0001 -0.0020 13598 LYS 16 CB -0.0046 0.0024 -0.0010 13599 LYS 16 CG -0.0048 0.0019 -0.0012 13600 LYS 16 CD -0.0044 0.0026 -0.0008 13601 LYS 16 CE -0.0041 0.0020 -0.0008 13602 LYS 16 NZ -0.0049 0.0014 -0.0014 13603 LYS 16 H -0.0065 0.0011 -0.0023 13604 LYS 16 HA -0.0052 0.0024 -0.0013 13605 LYS 16 HB2 -0.0038 0.0023 -0.0006 13606 LYS 16 HB3 -0.0049 0.0033 -0.0008 13607 LYS 16 HG2 -0.0056 0.0018 -0.0016 13608 LYS 16 HG3 -0.0043 0.0011 -0.0012 13609 LYS 16 HD2 -0.0038 0.0031 -0.0004 13610 LYS 16 HD3 -0.0051 0.0032 -0.0009 13611 LYS 16 HE2 -0.0034 0.0013 -0.0007 13612 LYS 16 HE3 -0.0038 0.0025 -0.0005 13613 LYS 16 HZ1 -0.0046 0.0008 -0.0015 13614 LYS 16 HZ2 -0.0054 0.0010 -0.0017 13615 LYS 16 HZ3 -0.0055 0.0020 -0.0015 13616 TYR 17 N -0.0036 0.0006 -0.0010 13617 TYR 17 CA -0.0029 -0.0005 -0.0010 13618 TYR 17 C -0.0026 -0.0011 -0.0010 13619 TYR 17 O -0.0020 -0.0020 -0.0010 13620 TYR 17 CB -0.0020 -0.0003 -0.0005 13621 TYR 17 CG -0.0023 0.0005 -0.0004 13622 TYR 17 CD1 -0.0024 0.0017 -0.0001 13623 TYR 17 CD2 -0.0026 0.0001 -0.0007 13624 TYR 17 CE1 -0.0027 0.0024 -0.0001 13625 TYR 17 CE2 -0.0029 0.0008 -0.0006 13626 TYR 17 CZ -0.0030 0.0019 -0.0003 13627 TYR 17 OH -0.0033 0.0027 -0.0003 13628 TYR 17 H -0.0032 0.0013 -0.0006 13629 TYR 17 HA -0.0034 -0.0010 -0.0014 13630 TYR 17 HB2 -0.0014 0.0001 -0.0001 13631 TYR 17 HB3 -0.0017 -0.0011 -0.0006 13632 TYR 17 HD1 -0.0022 0.0020 0.0001 13633 TYR 17 HD2 -0.0025 -0.0008 -0.0009 13634 TYR 17 HE1 -0.0028 0.0033 0.0002 13635 TYR 17 HE2 -0.0031 0.0004 -0.0008 13636 TYR 17 HH -0.0028 0.0031 0.0001 13637 GLY 18 N -0.0029 -0.0005 -0.0010 13638 GLY 18 CA -0.0027 -0.0009 -0.0010 13639 GLY 18 C -0.0015 -0.0011 -0.0005 13640 GLY 18 O -0.0013 -0.0011 -0.0004 13641 GLY 18 H -0.0033 0.0003 -0.0010 13642 GLY 18 HA2 -0.0031 -0.0003 -0.0010 13643 GLY 18 HA3 -0.0030 -0.0017 -0.0014 13644 PHE 19 N 0.0005 -0.0004 0.0009 13645 PHE 19 CA 0.0008 -0.0005 0.0011 13646 PHE 19 C 0.0011 -0.0002 0.0010 13647 PHE 19 O 0.0010 0.0001 0.0009 13648 PHE 19 CB 0.0007 -0.0007 0.0011 13649 PHE 19 CG 0.0007 -0.0005 0.0010 13650 PHE 19 CD1 0.0003 -0.0003 0.0008 13651 PHE 19 CD2 0.0009 -0.0004 0.0011 13652 PHE 19 CE1 0.0003 -0.0001 0.0007 13653 PHE 19 CE2 0.0009 -0.0002 0.0010 13654 PHE 19 CZ 0.0006 -0.0001 0.0008 13655 PHE 19 H 0.0003 -0.0003 0.0008 13656 PHE 19 HA 0.0009 -0.0007 0.0012 13657 PHE 19 HB2 0.0010 -0.0008 0.0013 13658 PHE 19 HB3 0.0005 -0.0009 0.0011 13659 PHE 19 HD1 0.0001 -0.0004 0.0008 13660 PHE 19 HD2 0.0012 -0.0005 0.0012 13661 PHE 19 HE1 0.0000 -0.0000 0.0006 13662 PHE 19 HE2 0.0011 -0.0002 0.0011 13663 PHE 19 HZ 0.0005 0.0001 0.0007 13664 THR 20 N 0.0014 -0.0002 0.0012 13665 THR 20 CA 0.0017 0.0000 0.0012 13666 THR 20 C 0.0019 0.0001 0.0013 13667 THR 20 O 0.0020 -0.0002 0.0014 13668 THR 20 CB 0.0020 -0.0000 0.0014 13669 THR 20 OG1 0.0019 -0.0000 0.0013 13670 THR 20 CG2 0.0023 0.0002 0.0014 13671 THR 20 H 0.0014 -0.0005 0.0013 13672 THR 20 HA 0.0016 0.0003 0.0011 13673 THR 20 HB 0.0021 -0.0003 0.0015 13674 THR 20 HG1 0.0016 -0.0001 0.0012 13675 THR 20 HG21 0.0023 0.0005 0.0012 13676 THR 20 HG22 0.0024 0.0003 0.0014 13677 THR 20 HG23 0.0026 0.0002 0.0015 13678 LEU 21 N 0.0019 0.0004 0.0011 13679 LEU 21 CA 0.0020 0.0004 0.0012 13680 LEU 21 C 0.0024 0.0006 0.0013 13681 LEU 21 O 0.0025 0.0009 0.0011 13682 LEU 21 CB 0.0018 0.0006 0.0010 13683 LEU 21 CG 0.0018 0.0005 0.0010 13684 LEU 21 CD1 0.0018 0.0001 0.0012 13685 LEU 21 CD2 0.0014 0.0005 0.0009 13686 LEU 21 H 0.0017 0.0005 0.0010 13687 LEU 21 HA 0.0020 0.0001 0.0013 13688 LEU 21 HB2 0.0015 0.0006 0.0009 13689 LEU 21 HB3 0.0019 0.0009 0.0009 13690 LEU 21 HG 0.0019 0.0006 0.0010 13691 LEU 21 HD11 0.0018 0.0000 0.0013 13692 LEU 21 HD12 0.0017 -0.0001 0.0012 13693 LEU 21 HD13 0.0021 0.0001 0.0013 13694 LEU 21 HD21 0.0012 0.0003 0.0009 13695 LEU 21 HD22 0.0014 0.0004 0.0009 13696 LEU 21 HD23 0.0013 0.0008 0.0007 13697 ARG 22 N 0.0026 0.0004 0.0014 13698 ARG 22 CA 0.0030 0.0005 0.0015 13699 ARG 22 C 0.0032 0.0006 0.0016 13700 ARG 22 O 0.0031 0.0004 0.0016 13701 ARG 22 CB 0.0032 0.0002 0.0017 13702 ARG 22 CG 0.0035 0.0004 0.0018 13703 ARG 22 CD 0.0033 0.0004 0.0017 13704 ARG 22 NE 0.0036 0.0004 0.0018 13705 ARG 22 CZ 0.0035 0.0004 0.0017 13706 ARG 22 NH1 0.0031 0.0004 0.0016 13707 ARG 22 NH2 0.0037 0.0004 0.0018 13708 ARG 22 H 0.0026 0.0001 0.0015 13709 ARG 22 HA 0.0031 0.0007 0.0014 13710 ARG 22 HB2 0.0030 0.0000 0.0017 13711 ARG 22 HB3 0.0034 0.0001 0.0018 13712 ARG 22 HG2 0.0037 0.0002 0.0019 13713 ARG 22 HG3 0.0037 0.0006 0.0017 13714 ARG 22 HD2 0.0032 0.0007 0.0015 13715 ARG 22 HD3 0.0031 0.0002 0.0017 13716 ARG 22 HE 0.0038 0.0004 0.0019 13717 ARG 22 HH11 0.0029 0.0005 0.0015 13718 ARG 22 HH12 0.0031 0.0004 0.0016 13719 ARG 22 HH21 0.0040 0.0004 0.0019 13720 ARG 22 HH22 0.0036 0.0004 0.0018 13721 ALA 23 N 0.0034 0.0009 0.0015 13722 ALA 23 CA 0.0036 0.0010 0.0015 13723 ALA 23 C 0.0039 0.0010 0.0017 13724 ALA 23 O 0.0041 0.0010 0.0017 13725 ALA 23 CB 0.0035 0.0014 0.0013 13726 ALA 23 H 0.0034 0.0011 0.0015 13727 ALA 23 HA 0.0034 0.0009 0.0015 13728 ALA 23 HB1 0.0037 0.0016 0.0013 13729 ALA 23 HB2 0.0032 0.0014 0.0012 13730 ALA 23 HB3 0.0036 0.0015 0.0013 13731 ILE 24 N 0.0041 0.0009 0.0018 13732 ILE 24 CA 0.0044 0.0008 0.0019 13733 ILE 24 C 0.0046 0.0009 0.0020 13734 ILE 24 O 0.0044 0.0011 0.0018 13735 ILE 24 CB 0.0045 0.0004 0.0021 13736 ILE 24 CG1 0.0042 0.0002 0.0021 13737 ILE 24 CG2 0.0045 0.0004 0.0022 13738 ILE 24 CD1 0.0043 -0.0001 0.0023 13739 ILE 24 H 0.0039 0.0008 0.0017 13740 ILE 24 HA 0.0046 0.0010 0.0019 13741 ILE 24 HB 0.0047 0.0004 0.0023 13742 ILE 24 HG12 0.0040 0.0001 0.0021 13743 ILE 24 HG13 0.0040 0.0003 0.0020 13744 ILE 24 HG21 0.0046 0.0001 0.0023 13745 ILE 24 HG22 0.0043 0.0004 0.0021 13746 ILE 24 HG23 0.0048 0.0005 0.0022 13747 ILE 24 HD11 0.0044 -0.0001 0.0023 13748 ILE 24 HD12 0.0040 -0.0003 0.0023 13749 ILE 24 HD13 0.0044 -0.0003 0.0024 13750 ARG 25 N 0.0032 0.0004 0.0010 13751 ARG 25 CA 0.0015 0.0003 -0.0002 13752 ARG 25 C 0.0001 0.0015 -0.0001 13753 ARG 25 O 0.0002 0.0014 -0.0002 13754 ARG 25 CB 0.0015 -0.0014 -0.0016 13755 ARG 25 CG 0.0024 -0.0022 -0.0017 13756 ARG 25 CD 0.0035 -0.0039 -0.0024 13757 ARG 25 NE 0.0025 -0.0048 -0.0038 13758 ARG 25 CZ 0.0027 -0.0055 -0.0043 13759 ARG 25 NH1 0.0038 -0.0054 -0.0034 13760 ARG 25 NH2 0.0017 -0.0064 -0.0056 13761 ARG 25 H 0.0034 0.0007 0.0014 13762 ARG 25 HA 0.0013 0.0006 -0.0001 13763 ARG 25 HB2 0.0002 -0.0013 -0.0024 13764 ARG 25 HB3 0.0022 -0.0021 -0.0017 13765 ARG 25 HG2 0.0031 -0.0015 -0.0006 13766 ARG 25 HG3 0.0014 -0.0021 -0.0023 13767 ARG 25 HD2 0.0044 -0.0039 -0.0018 13768 ARG 25 HD3 0.0041 -0.0044 -0.0023 13769 ARG 25 HE 0.0016 -0.0050 -0.0045 13770 ARG 25 HH11 0.0045 -0.0047 -0.0024 13771 ARG 25 HH12 0.0039 -0.0059 -0.0038 13772 ARG 25 HH21 0.0008 -0.0065 -0.0063 13773 ARG 25 HH22 0.0018 -0.0069 -0.0059 13774 VAL 26 N -0.0010 0.0026 0.0000 13775 VAL 26 CA -0.0025 0.0038 0.0000 13776 VAL 26 C -0.0039 0.0031 -0.0014 13777 VAL 26 O -0.0037 0.0017 -0.0024 13778 VAL 26 CB -0.0032 0.0053 0.0008 13779 VAL 26 CG1 -0.0019 0.0062 0.0024 13780 VAL 26 CG2 -0.0036 0.0049 0.0003 13781 VAL 26 H -0.0010 0.0026 0.0001 13782 VAL 26 HA -0.0021 0.0041 0.0006 13783 VAL 26 HB -0.0044 0.0061 0.0007 13784 VAL 26 HG11 -0.0007 0.0054 0.0026 13785 VAL 26 HG12 -0.0017 0.0065 0.0028 13786 VAL 26 HG13 -0.0024 0.0072 0.0029 13787 VAL 26 HG21 -0.0046 0.0044 -0.0008 13788 VAL 26 HG22 -0.0024 0.0041 0.0003 13789 VAL 26 HG23 -0.0039 0.0060 0.0009 13790 TYR 27 N -0.0054 0.0042 -0.0016 13791 TYR 27 CA -0.0070 0.0037 -0.0029 13792 TYR 27 C -0.0086 0.0052 -0.0028 13793 TYR 27 O -0.0086 0.0065 -0.0017 13794 TYR 27 CB -0.0069 0.0031 -0.0035 13795 TYR 27 CG -0.0067 0.0013 -0.0047 13796 TYR 27 CD1 -0.0050 0.0002 -0.0046 13797 TYR 27 CD2 -0.0081 0.0008 -0.0061 13798 TYR 27 CE1 -0.0048 -0.0014 -0.0057 13799 TYR 27 CE2 -0.0078 -0.0008 -0.0072 13800 TYR 27 CZ -0.0062 -0.0019 -0.0071 13801 TYR 27 OH -0.0059 -0.0035 -0.0082 13802 TYR 27 H -0.0056 0.0053 -0.0007 13803 TYR 27 HA -0.0069 0.0028 -0.0036 13804 TYR 27 HB2 -0.0059 0.0032 -0.0027 13805 TYR 27 HB3 -0.0081 0.0037 -0.0037 13806 TYR 27 HD1 -0.0039 0.0006 -0.0036 13807 TYR 27 HD2 -0.0093 0.0017 -0.0062 13808 TYR 27 HE1 -0.0035 -0.0023 -0.0056 13809 TYR 27 HE2 -0.0089 -0.0012 -0.0083 13810 TYR 27 HH -0.0067 -0.0037 -0.0089 13811 MET 28 N -0.0098 0.0050 -0.0038 13812 MET 28 CA -0.0114 0.0063 -0.0037 13813 MET 28 C -0.0130 0.0061 -0.0049 13814 MET 28 O -0.0135 0.0051 -0.0061 13815 MET 28 CB -0.0116 0.0066 -0.0036 13816 MET 28 CG -0.0101 0.0068 -0.0024 13817 MET 28 SD -0.0096 0.0085 -0.0007 13818 MET 28 CE -0.0079 0.0086 0.0004 13819 MET 28 H -0.0097 0.0039 -0.0046 13820 MET 28 HA -0.0113 0.0074 -0.0028 13821 MET 28 HB2 -0.0118 0.0056 -0.0045 13822 MET 28 HB3 -0.0127 0.0076 -0.0035 13823 MET 28 HG2 -0.0090 0.0058 -0.0025 13824 MET 28 HG3 -0.0103 0.0070 -0.0024 13825 MET 28 HE1 -0.0084 0.0087 0.0002 13826 MET 28 HE2 -0.0069 0.0075 0.0002 13827 MET 28 HE3 -0.0075 0.0095 0.0015 13828 GLY 29 N -0.0138 0.0070 -0.0047 13829 GLY 29 CA -0.0154 0.0069 -0.0058 13830 GLY 29 C -0.0151 0.0056 -0.0067 13831 GLY 29 O -0.0137 0.0050 -0.0063 13832 GLY 29 H -0.0133 0.0078 -0.0037 13833 GLY 29 HA2 -0.0160 0.0080 -0.0053 13834 GLY 29 HA3 -0.0162 0.0068 -0.0064 13835 ASP 30 N -0.0164 0.0051 -0.0080 13836 ASP 30 CA -0.0163 0.0038 -0.0090 13837 ASP 30 C -0.0158 0.0022 -0.0099 13838 ASP 30 O -0.0152 0.0009 -0.0106 13839 ASP 30 CB -0.0181 0.0040 -0.0099 13840 ASP 30 CG -0.0183 0.0051 -0.0093 13841 ASP 30 OD1 -0.0190 0.0065 -0.0085 13842 ASP 30 OD2 -0.0179 0.0044 -0.0095 13843 ASP 30 H -0.0175 0.0057 -0.0082 13844 ASP 30 HA -0.0154 0.0037 -0.0085 13845 ASP 30 HB2 -0.0191 0.0046 -0.0101 13846 ASP 30 HB3 -0.0181 0.0029 -0.0109 13847 SER 31 N -0.0174 0.0027 -0.0116 13848 SER 31 CA -0.0168 0.0010 -0.0121 13849 SER 31 C -0.0147 0.0001 -0.0112 13850 SER 31 O -0.0137 0.0010 -0.0100 13851 SER 31 CB -0.0172 0.0017 -0.0120 13852 SER 31 OG -0.0191 0.0025 -0.0129 13853 SER 31 H -0.0177 0.0041 -0.0111 13854 SER 31 HA -0.0175 -0.0000 -0.0131 13855 SER 31 HB2 -0.0165 0.0028 -0.0110 13856 SER 31 HB3 -0.0167 0.0004 -0.0124 13857 SER 31 HG -0.0198 0.0018 -0.0137 13858 ASP 32 N -0.0141 -0.0018 -0.0117 13859 ASP 32 CA -0.0122 -0.0028 -0.0110 13860 ASP 32 C -0.0109 -0.0023 -0.0099 13861 ASP 32 O -0.0094 -0.0034 -0.0094 13862 ASP 32 CB -0.0119 -0.0051 -0.0120 13863 ASP 32 CG -0.0106 -0.0061 -0.0116 13864 ASP 32 OD1 -0.0089 -0.0067 -0.0108 13865 ASP 32 OD2 -0.0112 -0.0063 -0.0121 13866 ASP 32 H -0.0149 -0.0024 -0.0127 13867 ASP 32 HA -0.0117 -0.0024 -0.0105 13868 ASP 32 HB2 -0.0133 -0.0053 -0.0130 13869 ASP 32 HB3 -0.0115 -0.0057 -0.0120 13870 VAL 33 N -0.0116 -0.0006 -0.0094 13871 VAL 33 CA -0.0105 0.0001 -0.0084 13872 VAL 33 C -0.0091 0.0010 -0.0070 13873 VAL 33 O -0.0095 0.0023 -0.0066 13874 VAL 33 CB -0.0117 0.0015 -0.0085 13875 VAL 33 CG1 -0.0130 0.0032 -0.0084 13876 VAL 33 CG2 -0.0105 0.0023 -0.0073 13877 VAL 33 H -0.0128 0.0002 -0.0098 13878 VAL 33 HA -0.0098 -0.0012 -0.0086 13879 VAL 33 HB -0.0125 0.0007 -0.0094 13880 VAL 33 HG11 -0.0122 0.0037 -0.0077 13881 VAL 33 HG12 -0.0141 0.0027 -0.0094 13882 VAL 33 HG13 -0.0135 0.0044 -0.0082 13883 VAL 33 HG21 -0.0096 0.0029 -0.0063 13884 VAL 33 HG22 -0.0114 0.0033 -0.0073 13885 VAL 33 HG23 -0.0098 0.0010 -0.0074 13886 TYR 34 N -0.0074 0.0004 -0.0061 13887 TYR 34 CA -0.0059 0.0011 -0.0048 13888 TYR 34 C -0.0045 0.0011 -0.0038 13889 TYR 34 O -0.0043 0.0000 -0.0043 13890 TYR 34 CB -0.0049 -0.0001 -0.0048 13891 TYR 34 CG -0.0040 -0.0023 -0.0052 13892 TYR 34 CD1 -0.0022 -0.0028 -0.0043 13893 TYR 34 CD2 -0.0050 -0.0037 -0.0066 13894 TYR 34 CE1 -0.0013 -0.0048 -0.0047 13895 TYR 34 CE2 -0.0041 -0.0057 -0.0071 13896 TYR 34 CZ -0.0023 -0.0062 -0.0061 13897 TYR 34 OH -0.0014 -0.0081 -0.0065 13898 TYR 34 H -0.0071 -0.0006 -0.0065 13899 TYR 34 HA -0.0065 0.0026 -0.0044 13900 TYR 34 HB2 -0.0039 0.0005 -0.0037 13901 TYR 34 HB3 -0.0060 -0.0001 -0.0054 13902 TYR 34 HD1 -0.0014 -0.0017 -0.0032 13903 TYR 34 HD2 -0.0064 -0.0033 -0.0074 13904 TYR 34 HE1 0.0001 -0.0052 -0.0040 13905 TYR 34 HE2 -0.0049 -0.0068 -0.0081 13906 TYR 34 HH -0.0023 -0.0088 -0.0075 13907 THR 35 N -0.0034 0.0024 -0.0025 13908 THR 35 CA -0.0021 0.0025 -0.0015 13909 THR 35 C -0.0001 0.0019 -0.0005 13910 THR 35 O 0.0002 0.0026 0.0001 13911 THR 35 CB -0.0024 0.0046 -0.0006 13912 THR 35 OG1 -0.0038 0.0059 -0.0009 13913 THR 35 CG2 -0.0029 0.0046 -0.0009 13914 THR 35 H -0.0036 0.0033 -0.0021 13915 THR 35 HA -0.0021 0.0015 -0.0020 13916 THR 35 HB -0.0011 0.0051 0.0005 13917 THR 35 HG1 -0.0050 0.0060 -0.0017 13918 THR 35 HG21 -0.0018 0.0037 -0.0007 13919 THR 35 HG22 -0.0032 0.0061 -0.0004 13920 THR 35 HG23 -0.0041 0.0041 -0.0020 13921 VAL 36 N 0.0011 0.0006 -0.0003 13922 VAL 36 CA 0.0030 -0.0001 0.0006 13923 VAL 36 C 0.0041 0.0014 0.0021 13924 VAL 36 O 0.0046 0.0016 0.0025 13925 VAL 36 CB 0.0040 -0.0021 0.0002 13926 VAL 36 CG1 0.0058 -0.0030 0.0010 13927 VAL 36 CG2 0.0027 -0.0035 -0.0014 13928 VAL 36 H 0.0008 0.0001 -0.0008 13929 VAL 36 HA 0.0030 -0.0002 0.0005 13930 VAL 36 HB 0.0043 -0.0019 0.0005 13931 VAL 36 HG11 0.0067 -0.0020 0.0021 13932 VAL 36 HG12 0.0065 -0.0044 0.0007 13933 VAL 36 HG13 0.0055 -0.0031 0.0007 13934 VAL 36 HG21 0.0016 -0.0030 -0.0019 13935 VAL 36 HG22 0.0022 -0.0036 -0.0017 13936 VAL 36 HG23 0.0035 -0.0050 -0.0016 13937 HIS 37 N 0.0040 0.0010 0.0016 13938 HIS 37 CA 0.0038 0.0008 0.0017 13939 HIS 37 C 0.0036 0.0007 0.0017 13940 HIS 37 O 0.0037 0.0009 0.0016 13941 HIS 37 CB 0.0039 0.0005 0.0017 13942 HIS 37 CG 0.0040 0.0005 0.0017 13943 HIS 37 ND1 0.0038 0.0005 0.0017 13944 HIS 37 CD2 0.0043 0.0005 0.0018 13945 HIS 37 CE1 0.0040 0.0005 0.0017 13946 HIS 37 NE2 0.0043 0.0005 0.0018 13947 HIS 37 H 0.0042 0.0010 0.0017 13948 HIS 37 HA 0.0036 0.0009 0.0016 13949 HIS 37 HB2 0.0041 0.0004 0.0018 13950 HIS 37 HB3 0.0037 0.0003 0.0018 13951 HIS 37 HD2 0.0045 0.0005 0.0018 13952 HIS 37 HE1 0.0039 0.0005 0.0017 13953 HIS 37 HE2 0.0045 0.0006 0.0018 13954 HIS 38 N 0.0034 0.0005 0.0017 13955 HIS 38 CA 0.0032 0.0005 0.0017 13956 HIS 38 C 0.0031 0.0001 0.0018 13957 HIS 38 O 0.0032 -0.0000 0.0018 13958 HIS 38 CB 0.0029 0.0006 0.0016 13959 HIS 38 CG 0.0030 0.0010 0.0016 13960 HIS 38 ND1 0.0031 0.0011 0.0016 13961 HIS 38 CD2 0.0029 0.0012 0.0015 13962 HIS 38 CE1 0.0031 0.0014 0.0015 13963 HIS 38 NE2 0.0030 0.0015 0.0015 13964 HIS 38 H 0.0033 0.0004 0.0017 13965 HIS 38 HA 0.0034 0.0005 0.0017 13966 HIS 38 HB2 0.0028 0.0006 0.0016 13967 HIS 38 HB3 0.0028 0.0006 0.0017 13968 HIS 38 HD2 0.0028 0.0011 0.0015 13969 HIS 38 HE1 0.0032 0.0016 0.0015 13970 HIS 38 HE2 0.0031 0.0016 0.0014 13971 MET 39 N 0.0030 0.0000 0.0018 13972 MET 39 CA 0.0029 -0.0003 0.0019 13973 MET 39 C 0.0027 -0.0004 0.0019 13974 MET 39 O 0.0027 -0.0002 0.0018 13975 MET 39 CB 0.0032 -0.0005 0.0019 13976 MET 39 CG 0.0033 -0.0007 0.0020 13977 MET 39 SD 0.0036 -0.0009 0.0020 13978 MET 39 CE 0.0039 -0.0007 0.0020 13979 MET 39 H 0.0030 0.0001 0.0018 13980 MET 39 HA 0.0028 -0.0004 0.0019 13981 MET 39 HB2 0.0034 -0.0004 0.0019 13982 MET 39 HB3 0.0032 -0.0006 0.0019 13983 MET 39 HG2 0.0031 -0.0009 0.0020 13984 MET 39 HG3 0.0033 -0.0006 0.0019 13985 MET 39 HE1 0.0039 -0.0005 0.0020 13986 MET 39 HE2 0.0039 -0.0005 0.0020 13987 MET 39 HE3 0.0042 -0.0008 0.0020 13988 VAL 40 N 0.0025 -0.0006 0.0019 13989 VAL 40 CA 0.0022 -0.0006 0.0019 13990 VAL 40 C 0.0024 -0.0008 0.0019 13991 VAL 40 O 0.0024 -0.0011 0.0020 13992 VAL 40 CB 0.0019 -0.0008 0.0019 13993 VAL 40 CG1 0.0020 -0.0010 0.0019 13994 VAL 40 CG2 0.0017 -0.0009 0.0019 13995 VAL 40 H 0.0025 -0.0006 0.0019 13996 VAL 40 HA 0.0022 -0.0004 0.0018 13997 VAL 40 HB 0.0018 -0.0006 0.0018 13998 VAL 40 HG11 0.0020 -0.0012 0.0020 13999 VAL 40 HG12 0.0023 -0.0010 0.0020 14000 VAL 40 HG13 0.0019 -0.0010 0.0019 14001 VAL 40 HG21 0.0018 -0.0007 0.0019 14002 VAL 40 HG22 0.0018 -0.0011 0.0020 14003 VAL 40 HG23 0.0015 -0.0009 0.0019 14004 TRP 41 N 0.0025 -0.0007 0.0019 14005 TRP 41 CA 0.0026 -0.0009 0.0020 14006 TRP 41 C 0.0024 -0.0011 0.0020 14007 TRP 41 O 0.0025 -0.0013 0.0020 14008 TRP 41 CB 0.0027 -0.0006 0.0019 14009 TRP 41 CG 0.0030 -0.0007 0.0019 14010 TRP 41 CD1 0.0031 -0.0007 0.0020 14011 TRP 41 CD2 0.0033 -0.0008 0.0020 14012 TRP 41 NE1 0.0034 -0.0008 0.0020 14013 TRP 41 CE2 0.0035 -0.0009 0.0020 14014 TRP 41 CE3 0.0034 -0.0008 0.0020 14015 TRP 41 CZ2 0.0038 -0.0009 0.0021 14016 TRP 41 CZ3 0.0037 -0.0009 0.0020 14017 TRP 41 CH2 0.0039 -0.0010 0.0021 14018 TRP 41 H 0.0024 -0.0005 0.0019 14019 TRP 41 HA 0.0028 -0.0010 0.0020 14020 TRP 41 HB2 0.0028 -0.0004 0.0019 14021 TRP 41 HB3 0.0026 -0.0006 0.0019 14022 TRP 41 HD1 0.0030 -0.0006 0.0019 14023 TRP 41 HE1 0.0035 -0.0008 0.0020 14024 TRP 41 HE3 0.0032 -0.0008 0.0020 14025 TRP 41 HZ2 0.0040 -0.0010 0.0021 14026 TRP 41 HZ3 0.0037 -0.0010 0.0021 14027 TRP 41 HH2 0.0041 -0.0011 0.0021 14028 HIS 42 N 0.0021 -0.0010 0.0019 14029 HIS 42 CA 0.0019 -0.0012 0.0020 14030 HIS 42 C 0.0016 -0.0011 0.0019 14031 HIS 42 O 0.0015 -0.0008 0.0019 14032 HIS 42 CB 0.0020 -0.0011 0.0020 14033 HIS 42 CG 0.0019 -0.0014 0.0020 14034 HIS 42 ND1 0.0021 -0.0015 0.0021 14035 HIS 42 CD2 0.0016 -0.0015 0.0020 14036 HIS 42 CE1 0.0020 -0.0018 0.0021 14037 HIS 42 NE2 0.0017 -0.0018 0.0021 14038 HIS 42 H 0.0021 -0.0008 0.0019 14039 HIS 42 HA 0.0019 -0.0014 0.0020 14040 HIS 42 HB2 0.0022 -0.0011 0.0020 14041 HIS 42 HB3 0.0018 -0.0009 0.0019 14042 HIS 42 HD2 0.0014 -0.0015 0.0020 14043 HIS 42 HE1 0.0021 -0.0019 0.0021 14044 HIS 42 HE2 0.0015 -0.0019 0.0021 14045 VAL 43 N 0.0007 -0.0026 0.0002 14046 VAL 43 CA -0.0000 -0.0026 -0.0002 14047 VAL 43 C -0.0009 -0.0029 -0.0008 14048 VAL 43 O -0.0009 -0.0037 -0.0010 14049 VAL 43 CB 0.0004 -0.0034 -0.0002 14050 VAL 43 CG1 0.0009 -0.0044 -0.0002 14051 VAL 43 CG2 -0.0005 -0.0035 -0.0007 14052 VAL 43 H 0.0010 -0.0032 0.0002 14053 VAL 43 HA -0.0002 -0.0018 -0.0001 14054 VAL 43 HB 0.0009 -0.0030 0.0002 14055 VAL 43 HG11 0.0015 -0.0043 0.0002 14056 VAL 43 HG12 0.0010 -0.0050 -0.0003 14057 VAL 43 HG13 0.0004 -0.0047 -0.0006 14058 VAL 43 HG21 -0.0007 -0.0028 -0.0007 14059 VAL 43 HG22 -0.0010 -0.0038 -0.0012 14060 VAL 43 HG23 -0.0002 -0.0041 -0.0008 14061 GLU 44 N -0.0017 -0.0023 -0.0011 14062 GLU 44 CA -0.0026 -0.0024 -0.0017 14063 GLU 44 C -0.0029 -0.0035 -0.0022 14064 GLU 44 O -0.0031 -0.0036 -0.0023 14065 GLU 44 CB -0.0034 -0.0015 -0.0018 14066 GLU 44 CG -0.0037 -0.0007 -0.0018 14067 GLU 44 CD -0.0042 0.0003 -0.0017 14068 GLU 44 OE1 -0.0048 0.0004 -0.0021 14069 GLU 44 OE2 -0.0041 0.0012 -0.0014 14070 GLU 44 H -0.0017 -0.0017 -0.0009 14071 GLU 44 HA -0.0026 -0.0025 -0.0016 14072 GLU 44 HB2 -0.0031 -0.0011 -0.0015 14073 GLU 44 HB3 -0.0040 -0.0018 -0.0023 14074 GLU 44 HG2 -0.0042 -0.0011 -0.0021 14075 GLU 44 HG3 -0.0031 -0.0006 -0.0014 14076 ASP 45 N -0.0030 -0.0042 -0.0024 14077 ASP 45 CA -0.0033 -0.0053 -0.0029 14078 ASP 45 C -0.0044 -0.0052 -0.0035 14079 ASP 45 O -0.0048 -0.0059 -0.0040 14080 ASP 45 CB -0.0028 -0.0061 -0.0029 14081 ASP 45 CG -0.0032 -0.0058 -0.0030 14082 ASP 45 OD1 -0.0031 -0.0050 -0.0027 14083 ASP 45 OD2 -0.0037 -0.0065 -0.0035 14084 ASP 45 H -0.0028 -0.0041 -0.0023 14085 ASP 45 HA -0.0030 -0.0055 -0.0028 14086 ASP 45 HB2 -0.0030 -0.0069 -0.0032 14087 ASP 45 HB3 -0.0021 -0.0061 -0.0025 14088 GLY 46 N -0.0049 -0.0044 -0.0035 14089 GLY 46 CA -0.0059 -0.0042 -0.0041 14090 GLY 46 C -0.0063 -0.0041 -0.0043 14091 GLY 46 O -0.0072 -0.0038 -0.0047 14092 GLY 46 H -0.0045 -0.0038 -0.0032 14093 GLY 46 HA2 -0.0062 -0.0049 -0.0045 14094 GLY 46 HA3 -0.0062 -0.0035 -0.0041 14095 GLY 47 N -0.0057 -0.0043 -0.0040 14096 GLY 47 CA -0.0061 -0.0042 -0.0042 14097 GLY 47 C -0.0053 -0.0040 -0.0037 14098 GLY 47 O -0.0051 -0.0046 -0.0038 14099 GLY 47 H -0.0050 -0.0045 -0.0037 14100 GLY 47 HA2 -0.0064 -0.0049 -0.0046 14101 GLY 47 HA3 -0.0066 -0.0035 -0.0043 14102 PRO 48 N -0.0049 -0.0031 -0.0032 14103 PRO 48 CA -0.0042 -0.0028 -0.0027 14104 PRO 48 C -0.0033 -0.0036 -0.0024 14105 PRO 48 O -0.0033 -0.0046 -0.0027 14106 PRO 48 CB -0.0039 -0.0018 -0.0022 14107 PRO 48 CG -0.0048 -0.0013 -0.0026 14108 PRO 48 CD -0.0051 -0.0023 -0.0030 14109 PRO 48 HA -0.0045 -0.0027 -0.0028 14110 PRO 48 HB2 -0.0033 -0.0019 -0.0019 14111 PRO 48 HB3 -0.0038 -0.0012 -0.0020 14112 PRO 48 HG2 -0.0046 -0.0007 -0.0023 14113 PRO 48 HG3 -0.0054 -0.0009 -0.0028 14114 PRO 48 HD2 -0.0046 -0.0025 -0.0028 14115 PRO 48 HD3 -0.0058 -0.0021 -0.0034 14116 ALA 49 N -0.0024 -0.0023 -0.0020 14117 ALA 49 CA -0.0015 -0.0029 -0.0016 14118 ALA 49 C -0.0013 -0.0039 -0.0019 14119 ALA 49 O -0.0008 -0.0045 -0.0019 14120 ALA 49 CB -0.0008 -0.0022 -0.0010 14121 ALA 49 H -0.0025 -0.0016 -0.0017 14122 ALA 49 HA -0.0014 -0.0030 -0.0016 14123 ALA 49 HB1 -0.0003 -0.0023 -0.0007 14124 ALA 49 HB2 -0.0005 -0.0025 -0.0009 14125 ALA 49 HB3 -0.0012 -0.0015 -0.0009 14126 SER 50 N -0.0017 -0.0039 -0.0022 14127 SER 50 CA -0.0015 -0.0049 -0.0025 14128 SER 50 C -0.0018 -0.0057 -0.0029 14129 SER 50 O -0.0012 -0.0064 -0.0029 14130 SER 50 CB -0.0020 -0.0047 -0.0027 14131 SER 50 OG -0.0014 -0.0046 -0.0023 14132 SER 50 H -0.0021 -0.0034 -0.0022 14133 SER 50 HA -0.0008 -0.0050 -0.0021 14134 SER 50 HB2 -0.0026 -0.0041 -0.0027 14135 SER 50 HB3 -0.0023 -0.0054 -0.0031 14136 SER 50 HG -0.0008 -0.0050 -0.0021 14137 GLU 51 N -0.0027 -0.0056 -0.0034 14138 GLU 51 CA -0.0030 -0.0063 -0.0039 14139 GLU 51 C -0.0026 -0.0064 -0.0037 14140 GLU 51 O -0.0025 -0.0072 -0.0039 14141 GLU 51 CB -0.0040 -0.0060 -0.0043 14142 GLU 51 CG -0.0045 -0.0058 -0.0045 14143 GLU 51 CD -0.0053 -0.0064 -0.0052 14144 GLU 51 OE1 -0.0051 -0.0073 -0.0054 14145 GLU 51 OE2 -0.0061 -0.0060 -0.0055 14146 GLU 51 H -0.0031 -0.0050 -0.0034 14147 GLU 51 HA -0.0028 -0.0070 -0.0041 14148 GLU 51 HB2 -0.0042 -0.0054 -0.0042 14149 GLU 51 HB3 -0.0043 -0.0066 -0.0047 14150 GLU 51 HG2 -0.0040 -0.0060 -0.0043 14151 GLU 51 HG3 -0.0048 -0.0051 -0.0044 14152 ALA 52 N -0.0023 -0.0057 -0.0032 14153 ALA 52 CA -0.0019 -0.0057 -0.0030 14154 ALA 52 C -0.0010 -0.0064 -0.0028 14155 ALA 52 O -0.0007 -0.0068 -0.0028 14156 ALA 52 CB -0.0017 -0.0047 -0.0025 14157 ALA 52 H -0.0024 -0.0051 -0.0031 14158 ALA 52 HA -0.0023 -0.0059 -0.0033 14159 ALA 52 HB1 -0.0024 -0.0042 -0.0027 14160 ALA 52 HB2 -0.0014 -0.0047 -0.0023 14161 ALA 52 HB3 -0.0013 -0.0044 -0.0022 14162 GLY 53 N -0.0005 -0.0065 -0.0026 14163 GLY 53 CA 0.0003 -0.0072 -0.0023 14164 GLY 53 C 0.0010 -0.0067 -0.0018 14165 GLY 53 O 0.0018 -0.0072 -0.0016 14166 GLY 53 H -0.0008 -0.0062 -0.0026 14167 GLY 53 HA2 0.0002 -0.0078 -0.0027 14168 GLY 53 HA3 0.0006 -0.0074 -0.0023 14169 LEU 54 N 0.0008 -0.0058 -0.0015 14170 LEU 54 CA 0.0015 -0.0053 -0.0009 14171 LEU 54 C 0.0016 -0.0056 -0.0010 14172 LEU 54 O 0.0010 -0.0054 -0.0013 14173 LEU 54 CB 0.0012 -0.0042 -0.0007 14174 LEU 54 CG 0.0019 -0.0036 -0.0000 14175 LEU 54 CD1 0.0015 -0.0025 0.0002 14176 LEU 54 CD2 0.0021 -0.0036 0.0001 14177 LEU 54 H 0.0003 -0.0054 -0.0017 14178 LEU 54 HA 0.0021 -0.0055 -0.0006 14179 LEU 54 HB2 0.0009 -0.0040 -0.0008 14180 LEU 54 HB3 0.0006 -0.0040 -0.0009 14181 LEU 54 HG 0.0025 -0.0038 0.0002 14182 LEU 54 HD11 0.0014 -0.0025 0.0001 14183 LEU 54 HD12 0.0021 -0.0021 0.0007 14184 LEU 54 HD13 0.0009 -0.0022 -0.0000 14185 LEU 54 HD21 0.0015 -0.0034 -0.0002 14186 LEU 54 HD22 0.0026 -0.0031 0.0006 14187 LEU 54 HD23 0.0024 -0.0044 -0.0000 14188 ARG 55 N 0.0018 -0.0026 0.0018 14189 ARG 55 CA 0.0018 -0.0027 0.0017 14190 ARG 55 C 0.0019 -0.0027 0.0017 14191 ARG 55 O 0.0020 -0.0026 0.0016 14192 ARG 55 CB 0.0020 -0.0027 0.0016 14193 ARG 55 CG 0.0021 -0.0026 0.0015 14194 ARG 55 CD 0.0022 -0.0027 0.0014 14195 ARG 55 NE 0.0023 -0.0028 0.0013 14196 ARG 55 CZ 0.0024 -0.0028 0.0012 14197 ARG 55 NH1 0.0025 -0.0027 0.0012 14198 ARG 55 NH2 0.0024 -0.0030 0.0011 14199 ARG 55 H 0.0019 -0.0025 0.0018 14200 ARG 55 HA 0.0017 -0.0028 0.0017 14201 ARG 55 HB2 0.0020 -0.0029 0.0015 14202 ARG 55 HB3 0.0019 -0.0028 0.0016 14203 ARG 55 HG2 0.0022 -0.0026 0.0015 14204 ARG 55 HG3 0.0021 -0.0025 0.0016 14205 ARG 55 HD2 0.0023 -0.0026 0.0014 14206 ARG 55 HD3 0.0022 -0.0027 0.0014 14207 ARG 55 HE 0.0022 -0.0029 0.0013 14208 ARG 55 HH11 0.0025 -0.0026 0.0012 14209 ARG 55 HH12 0.0026 -0.0028 0.0011 14210 ARG 55 HH21 0.0023 -0.0031 0.0011 14211 ARG 55 HH22 0.0025 -0.0030 0.0010 14212 GLN 56 N 0.0018 -0.0028 0.0017 14213 GLN 56 CA 0.0018 -0.0029 0.0016 14214 GLN 56 C 0.0020 -0.0029 0.0015 14215 GLN 56 O 0.0020 -0.0030 0.0014 14216 GLN 56 CB 0.0017 -0.0030 0.0016 14217 GLN 56 CG 0.0017 -0.0031 0.0016 14218 GLN 56 CD 0.0016 -0.0032 0.0016 14219 GLN 56 OE1 0.0015 -0.0032 0.0017 14220 GLN 56 NE2 0.0016 -0.0033 0.0016 14221 GLN 56 H 0.0017 -0.0029 0.0017 14222 GLN 56 HA 0.0018 -0.0028 0.0017 14223 GLN 56 HB2 0.0016 -0.0030 0.0017 14224 GLN 56 HB3 0.0017 -0.0031 0.0016 14225 GLN 56 HG2 0.0018 -0.0031 0.0015 14226 GLN 56 HG3 0.0017 -0.0030 0.0017 14227 GLN 56 HE21 0.0017 -0.0033 0.0015 14228 GLN 56 HE22 0.0015 -0.0034 0.0016 14229 GLY 57 N 0.0021 -0.0028 0.0015 14230 GLY 57 CA 0.0022 -0.0028 0.0014 14231 GLY 57 C 0.0023 -0.0027 0.0013 14232 GLY 57 O 0.0024 -0.0027 0.0013 14233 GLY 57 H 0.0020 -0.0027 0.0016 14234 GLY 57 HA2 0.0022 -0.0028 0.0014 14235 GLY 57 HA3 0.0022 -0.0029 0.0013 14236 ASP 58 N 0.0023 -0.0025 0.0014 14237 ASP 58 CA 0.0024 -0.0024 0.0014 14238 ASP 58 C 0.0024 -0.0022 0.0015 14239 ASP 58 O 0.0024 -0.0022 0.0015 14240 ASP 58 CB 0.0023 -0.0023 0.0015 14241 ASP 58 CG 0.0024 -0.0022 0.0015 14242 ASP 58 OD1 0.0025 -0.0022 0.0014 14243 ASP 58 OD2 0.0024 -0.0023 0.0015 14244 ASP 58 H 0.0022 -0.0025 0.0015 14245 ASP 58 HA 0.0025 -0.0024 0.0014 14246 ASP 58 HB2 0.0022 -0.0024 0.0015 14247 ASP 58 HB3 0.0023 -0.0022 0.0016 14248 LEU 59 N 0.0026 -0.0021 0.0014 14249 LEU 59 CA 0.0026 -0.0020 0.0014 14250 LEU 59 C 0.0026 -0.0018 0.0016 14251 LEU 59 O 0.0026 -0.0018 0.0016 14252 LEU 59 CB 0.0028 -0.0020 0.0013 14253 LEU 59 CG 0.0029 -0.0018 0.0013 14254 LEU 59 CD1 0.0029 -0.0018 0.0014 14255 LEU 59 CD2 0.0031 -0.0018 0.0012 14256 LEU 59 H 0.0026 -0.0021 0.0014 14257 LEU 59 HA 0.0026 -0.0020 0.0015 14258 LEU 59 HB2 0.0028 -0.0021 0.0013 14259 LEU 59 HB3 0.0028 -0.0020 0.0013 14260 LEU 59 HG 0.0029 -0.0017 0.0014 14261 LEU 59 HD11 0.0028 -0.0018 0.0014 14262 LEU 59 HD12 0.0029 -0.0017 0.0014 14263 LEU 59 HD13 0.0029 -0.0019 0.0013 14264 LEU 59 HD21 0.0031 -0.0019 0.0012 14265 LEU 59 HD22 0.0031 -0.0016 0.0012 14266 LEU 59 HD23 0.0031 -0.0017 0.0012 14267 ILE 60 N 0.0025 -0.0017 0.0016 14268 ILE 60 CA 0.0025 -0.0016 0.0018 14269 ILE 60 C 0.0026 -0.0014 0.0017 14270 ILE 60 O 0.0027 -0.0014 0.0017 14271 ILE 60 CB 0.0024 -0.0016 0.0019 14272 ILE 60 CG1 0.0022 -0.0017 0.0019 14273 ILE 60 CG2 0.0023 -0.0014 0.0020 14274 ILE 60 CD1 0.0022 -0.0019 0.0018 14275 ILE 60 H 0.0025 -0.0018 0.0016 14276 ILE 60 HA 0.0025 -0.0016 0.0018 14277 ILE 60 HB 0.0024 -0.0016 0.0018 14278 ILE 60 HG12 0.0021 -0.0017 0.0020 14279 ILE 60 HG13 0.0022 -0.0017 0.0019 14280 ILE 60 HG21 0.0023 -0.0014 0.0021 14281 ILE 60 HG22 0.0023 -0.0014 0.0020 14282 ILE 60 HG23 0.0024 -0.0013 0.0019 14283 ILE 60 HD11 0.0023 -0.0018 0.0018 14284 ILE 60 HD12 0.0023 -0.0019 0.0017 14285 ILE 60 HD13 0.0021 -0.0020 0.0019 14286 THR 61 N 0.0038 -0.0019 0.0028 14287 THR 61 CA 0.0041 -0.0019 0.0031 14288 THR 61 C 0.0040 -0.0017 0.0030 14289 THR 61 O 0.0042 -0.0014 0.0033 14290 THR 61 CB 0.0043 -0.0025 0.0030 14291 THR 61 OG1 0.0041 -0.0028 0.0026 14292 THR 61 CG2 0.0045 -0.0028 0.0031 14293 THR 61 H 0.0036 -0.0021 0.0025 14294 THR 61 HA 0.0044 -0.0017 0.0034 14295 THR 61 HB 0.0046 -0.0026 0.0033 14296 THR 61 HG1 0.0041 -0.0028 0.0026 14297 THR 61 HG21 0.0043 -0.0028 0.0028 14298 THR 61 HG22 0.0047 -0.0026 0.0034 14299 THR 61 HG23 0.0047 -0.0032 0.0031 14300 HIS 62 N 0.0036 -0.0018 0.0026 14301 HIS 62 CA 0.0034 -0.0016 0.0025 14302 HIS 62 C 0.0029 -0.0013 0.0021 14303 HIS 62 O 0.0028 -0.0015 0.0019 14304 HIS 62 CB 0.0035 -0.0020 0.0024 14305 HIS 62 CG 0.0039 -0.0022 0.0027 14306 HIS 62 ND1 0.0042 -0.0027 0.0028 14307 HIS 62 CD2 0.0041 -0.0021 0.0030 14308 HIS 62 CE1 0.0045 -0.0028 0.0031 14309 HIS 62 NE2 0.0045 -0.0024 0.0032 14310 HIS 62 H 0.0035 -0.0019 0.0024 14311 HIS 62 HA 0.0035 -0.0012 0.0027 14312 HIS 62 HB2 0.0034 -0.0023 0.0021 14313 HIS 62 HB3 0.0033 -0.0019 0.0023 14314 HIS 62 HD2 0.0040 -0.0018 0.0030 14315 HIS 62 HE1 0.0048 -0.0031 0.0032 14316 HIS 62 HE2 0.0048 -0.0024 0.0035 14317 VAL 63 N 0.0028 -0.0010 0.0021 14318 VAL 63 CA 0.0023 -0.0008 0.0017 14319 VAL 63 C 0.0021 -0.0007 0.0016 14320 VAL 63 O 0.0023 -0.0005 0.0018 14321 VAL 63 CB 0.0022 -0.0002 0.0018 14322 VAL 63 CG1 0.0024 0.0002 0.0021 14323 VAL 63 CG2 0.0017 -0.0000 0.0014 14324 VAL 63 H 0.0029 -0.0009 0.0023 14325 VAL 63 HA 0.0022 -0.0010 0.0015 14326 VAL 63 HB 0.0023 -0.0003 0.0019 14327 VAL 63 HG11 0.0027 0.0000 0.0024 14328 VAL 63 HG12 0.0023 0.0006 0.0022 14329 VAL 63 HG13 0.0023 0.0002 0.0021 14330 VAL 63 HG21 0.0016 0.0004 0.0015 14331 VAL 63 HG22 0.0016 -0.0002 0.0012 14332 VAL 63 HG23 0.0016 -0.0001 0.0013 14333 ASN 64 N 0.0019 -0.0010 0.0012 14334 ASN 64 CA 0.0017 -0.0011 0.0010 14335 ASN 64 C 0.0020 -0.0012 0.0013 14336 ASN 64 O 0.0020 -0.0011 0.0013 14337 ASN 64 CB 0.0014 -0.0005 0.0010 14338 ASN 64 CG 0.0010 -0.0005 0.0005 14339 ASN 64 OD1 0.0008 -0.0008 0.0003 14340 ASN 64 ND2 0.0008 -0.0002 0.0004 14341 ASN 64 H 0.0018 -0.0013 0.0011 14342 ASN 64 HA 0.0015 -0.0013 0.0007 14343 ASN 64 HB2 0.0015 -0.0002 0.0011 14344 ASN 64 HB3 0.0015 -0.0004 0.0011 14345 ASN 64 HD21 0.0009 0.0000 0.0007 14346 ASN 64 HD22 0.0005 -0.0002 0.0002 14347 GLY 65 N 0.0024 -0.0016 0.0015 14348 GLY 65 CA 0.0027 -0.0018 0.0017 14349 GLY 65 C 0.0029 -0.0013 0.0021 14350 GLY 65 O 0.0030 -0.0012 0.0022 14351 GLY 65 H 0.0024 -0.0017 0.0015 14352 GLY 65 HA2 0.0029 -0.0021 0.0018 14353 GLY 65 HA3 0.0026 -0.0019 0.0016 14354 GLU 66 N 0.0030 -0.0011 0.0023 14355 GLU 66 CA 0.0032 -0.0006 0.0027 14356 GLU 66 C 0.0034 -0.0006 0.0029 14357 GLU 66 O 0.0033 -0.0005 0.0028 14358 GLU 66 CB 0.0029 -0.0001 0.0025 14359 GLU 66 CG 0.0030 0.0002 0.0028 14360 GLU 66 CD 0.0030 -0.0000 0.0027 14361 GLU 66 OE1 0.0027 0.0000 0.0024 14362 GLU 66 OE2 0.0034 -0.0003 0.0029 14363 GLU 66 H 0.0029 -0.0011 0.0022 14364 GLU 66 HA 0.0034 -0.0007 0.0028 14365 GLU 66 HB2 0.0026 -0.0002 0.0022 14366 GLU 66 HB3 0.0029 0.0001 0.0026 14367 GLU 66 HG2 0.0028 0.0006 0.0027 14368 GLU 66 HG3 0.0033 0.0003 0.0031 14369 PRO 67 N 0.0041 0.0006 0.0023 14370 PRO 67 CA 0.0042 0.0005 0.0023 14371 PRO 67 C 0.0042 0.0006 0.0023 14372 PRO 67 O 0.0041 0.0009 0.0024 14373 PRO 67 CB 0.0045 0.0005 0.0023 14374 PRO 67 CG 0.0045 0.0007 0.0024 14375 PRO 67 CD 0.0042 0.0006 0.0023 14376 PRO 67 HA 0.0042 0.0003 0.0022 14377 PRO 67 HB2 0.0046 0.0006 0.0024 14378 PRO 67 HB3 0.0047 0.0003 0.0023 14379 PRO 67 HG2 0.0045 0.0009 0.0025 14380 PRO 67 HG3 0.0047 0.0006 0.0024 14381 PRO 67 HD2 0.0041 0.0008 0.0024 14382 PRO 67 HD3 0.0042 0.0005 0.0023 14383 VAL 68 N 0.0041 0.0005 0.0022 14384 VAL 68 CA 0.0041 0.0006 0.0023 14385 VAL 68 C 0.0043 0.0006 0.0023 14386 VAL 68 O 0.0043 0.0007 0.0024 14387 VAL 68 CB 0.0039 0.0003 0.0022 14388 VAL 68 CG1 0.0036 0.0003 0.0021 14389 VAL 68 CG2 0.0041 0.0001 0.0021 14390 VAL 68 H 0.0042 0.0003 0.0022 14391 VAL 68 HA 0.0039 0.0007 0.0023 14392 VAL 68 HB 0.0038 0.0004 0.0022 14393 VAL 68 HG11 0.0035 0.0001 0.0020 14394 VAL 68 HG12 0.0037 0.0002 0.0021 14395 VAL 68 HG13 0.0035 0.0005 0.0021 14396 VAL 68 HG21 0.0043 0.0001 0.0021 14397 VAL 68 HG22 0.0041 0.0000 0.0021 14398 VAL 68 HG23 0.0040 -0.0000 0.0020 14399 HIS 69 N 0.0045 0.0006 0.0023 14400 HIS 69 CA 0.0048 0.0006 0.0024 14401 HIS 69 C 0.0049 0.0009 0.0025 14402 HIS 69 O 0.0049 0.0011 0.0026 14403 HIS 69 CB 0.0050 0.0005 0.0024 14404 HIS 69 CG 0.0051 0.0002 0.0023 14405 HIS 69 ND1 0.0053 0.0001 0.0023 14406 HIS 69 CD2 0.0049 0.0000 0.0022 14407 HIS 69 CE1 0.0053 -0.0002 0.0022 14408 HIS 69 NE2 0.0050 -0.0002 0.0021 14409 HIS 69 H 0.0045 0.0005 0.0023 14410 HIS 69 HA 0.0049 0.0005 0.0024 14411 HIS 69 HB2 0.0050 0.0006 0.0024 14412 HIS 69 HB3 0.0052 0.0006 0.0025 14413 HIS 69 HD2 0.0047 0.0001 0.0022 14414 HIS 69 HE1 0.0054 -0.0003 0.0022 14415 HIS 69 HE2 0.0050 -0.0004 0.0020 14416 GLY 70 N 0.0048 0.0010 0.0026 14417 GLY 70 CA 0.0048 0.0013 0.0027 14418 GLY 70 C 0.0045 0.0014 0.0027 14419 GLY 70 O 0.0045 0.0016 0.0028 14420 GLY 70 H 0.0047 0.0008 0.0025 14421 GLY 70 HA2 0.0050 0.0013 0.0027 14422 GLY 70 HA3 0.0049 0.0014 0.0027 14423 LEU 71 N 0.0043 0.0013 0.0026 14424 LEU 71 CA 0.0040 0.0014 0.0026 14425 LEU 71 C 0.0040 0.0013 0.0026 14426 LEU 71 O 0.0041 0.0011 0.0025 14427 LEU 71 CB 0.0038 0.0012 0.0025 14428 LEU 71 CG 0.0038 0.0013 0.0025 14429 LEU 71 CD1 0.0036 0.0012 0.0024 14430 LEU 71 CD2 0.0038 0.0016 0.0026 14431 LEU 71 H 0.0043 0.0011 0.0025 14432 LEU 71 HA 0.0040 0.0016 0.0027 14433 LEU 71 HB2 0.0038 0.0010 0.0024 14434 LEU 71 HB3 0.0036 0.0013 0.0025 14435 LEU 71 HG 0.0040 0.0011 0.0025 14436 LEU 71 HD11 0.0034 0.0013 0.0024 14437 LEU 71 HD12 0.0035 0.0010 0.0023 14438 LEU 71 HD13 0.0036 0.0012 0.0024 14439 LEU 71 HD21 0.0041 0.0016 0.0027 14440 LEU 71 HD22 0.0037 0.0017 0.0026 14441 LEU 71 HD23 0.0038 0.0016 0.0026 14442 VAL 72 N 0.0038 0.0016 0.0026 14443 VAL 72 CA 0.0038 0.0015 0.0026 14444 VAL 72 C 0.0035 0.0014 0.0025 14445 VAL 72 O 0.0034 0.0013 0.0024 14446 VAL 72 CB 0.0037 0.0018 0.0027 14447 VAL 72 CG1 0.0034 0.0020 0.0027 14448 VAL 72 CG2 0.0038 0.0018 0.0027 14449 VAL 72 H 0.0038 0.0017 0.0027 14450 VAL 72 HA 0.0040 0.0014 0.0026 14451 VAL 72 HB 0.0039 0.0020 0.0028 14452 VAL 72 HG11 0.0034 0.0019 0.0027 14453 VAL 72 HG12 0.0034 0.0022 0.0028 14454 VAL 72 HG13 0.0033 0.0019 0.0026 14455 VAL 72 HG21 0.0039 0.0021 0.0028 14456 VAL 72 HG22 0.0040 0.0017 0.0027 14457 VAL 72 HG23 0.0037 0.0018 0.0027 14458 HIS 73 N 0.0037 0.0025 0.0017 14459 HIS 73 CA 0.0033 0.0022 0.0017 14460 HIS 73 C 0.0028 0.0023 0.0017 14461 HIS 73 O 0.0024 0.0020 0.0016 14462 HIS 73 CB 0.0033 0.0022 0.0017 14463 HIS 73 CG 0.0031 0.0017 0.0016 14464 HIS 73 ND1 0.0034 0.0014 0.0015 14465 HIS 73 CD2 0.0026 0.0016 0.0015 14466 HIS 73 CE1 0.0030 0.0010 0.0014 14467 HIS 73 NE2 0.0026 0.0011 0.0014 14468 HIS 73 H 0.0040 0.0026 0.0018 14469 HIS 73 HA 0.0034 0.0018 0.0016 14470 HIS 73 HB2 0.0037 0.0023 0.0017 14471 HIS 73 HB3 0.0031 0.0025 0.0017 14472 HIS 73 HD1 0.0038 0.0014 0.0016 14473 HIS 73 HD2 0.0022 0.0017 0.0015 14474 HIS 73 HE1 0.0032 0.0007 0.0014 14475 THR 74 N 0.0027 0.0028 0.0017 14476 THR 74 CA 0.0022 0.0031 0.0017 14477 THR 74 C 0.0021 0.0032 0.0018 14478 THR 74 O 0.0017 0.0032 0.0017 14479 THR 74 CB 0.0021 0.0036 0.0018 14480 THR 74 OG1 0.0024 0.0040 0.0019 14481 THR 74 CG2 0.0022 0.0035 0.0018 14482 THR 74 H 0.0029 0.0031 0.0018 14483 THR 74 HA 0.0019 0.0028 0.0017 14484 THR 74 HB 0.0017 0.0037 0.0018 14485 THR 74 HG1 0.0024 0.0043 0.0020 14486 THR 74 HG21 0.0019 0.0032 0.0018 14487 THR 74 HG22 0.0022 0.0039 0.0019 14488 THR 74 HG23 0.0026 0.0033 0.0018 14489 GLU 75 N 0.0025 0.0032 0.0018 14490 GLU 75 CA 0.0025 0.0033 0.0018 14491 GLU 75 C 0.0023 0.0028 0.0017 14492 GLU 75 O 0.0020 0.0029 0.0017 14493 GLU 75 CB 0.0031 0.0034 0.0019 14494 GLU 75 CG 0.0032 0.0040 0.0020 14495 GLU 75 CD 0.0037 0.0041 0.0020 14496 GLU 75 OE1 0.0041 0.0040 0.0020 14497 GLU 75 OE2 0.0038 0.0044 0.0021 14498 GLU 75 H 0.0029 0.0031 0.0018 14499 GLU 75 HA 0.0023 0.0036 0.0019 14500 GLU 75 HB2 0.0034 0.0032 0.0018 14501 GLU 75 HB3 0.0031 0.0033 0.0019 14502 GLU 75 HG2 0.0029 0.0042 0.0020 14503 GLU 75 HG3 0.0032 0.0041 0.0020 14504 VAL 76 N 0.0024 0.0024 0.0016 14505 VAL 76 CA 0.0022 0.0019 0.0015 14506 VAL 76 C 0.0016 0.0019 0.0015 14507 VAL 76 O 0.0013 0.0018 0.0015 14508 VAL 76 CB 0.0025 0.0014 0.0015 14509 VAL 76 CG1 0.0030 0.0013 0.0015 14510 VAL 76 CG2 0.0025 0.0013 0.0015 14511 VAL 76 H 0.0027 0.0023 0.0016 14512 VAL 76 HA 0.0023 0.0020 0.0016 14513 VAL 76 HB 0.0022 0.0011 0.0014 14514 VAL 76 HG11 0.0033 0.0017 0.0016 14515 VAL 76 HG12 0.0030 0.0014 0.0015 14516 VAL 76 HG13 0.0032 0.0010 0.0014 14517 VAL 76 HG21 0.0025 0.0017 0.0015 14518 VAL 76 HG22 0.0029 0.0012 0.0015 14519 VAL 76 HG23 0.0023 0.0011 0.0014 14520 VAL 77 N 0.0015 0.0019 0.0015 14521 VAL 77 CA 0.0009 0.0019 0.0015 14522 VAL 77 C 0.0006 0.0023 0.0015 14523 VAL 77 O 0.0002 0.0022 0.0015 14524 VAL 77 CB 0.0009 0.0021 0.0015 14525 VAL 77 CG1 0.0003 0.0021 0.0015 14526 VAL 77 CG2 0.0012 0.0017 0.0015 14527 VAL 77 H 0.0018 0.0020 0.0015 14528 VAL 77 HA 0.0008 0.0016 0.0014 14529 VAL 77 HB 0.0010 0.0025 0.0016 14530 VAL 77 HG11 0.0001 0.0024 0.0015 14531 VAL 77 HG12 0.0003 0.0022 0.0015 14532 VAL 77 HG13 0.0002 0.0017 0.0014 14533 VAL 77 HG21 0.0016 0.0019 0.0015 14534 VAL 77 HG22 0.0013 0.0013 0.0014 14535 VAL 77 HG23 0.0011 0.0016 0.0014 14536 GLU 78 N 0.0008 0.0028 0.0016 14537 GLU 78 CA 0.0006 0.0032 0.0017 14538 GLU 78 C 0.0005 0.0031 0.0017 14539 GLU 78 O 0.0001 0.0032 0.0016 14540 GLU 78 CB 0.0009 0.0037 0.0018 14541 GLU 78 CG 0.0008 0.0040 0.0018 14542 GLU 78 CD 0.0010 0.0046 0.0020 14543 GLU 78 OE1 0.0011 0.0048 0.0020 14544 GLU 78 OE2 0.0011 0.0048 0.0020 14545 GLU 78 H 0.0012 0.0029 0.0017 14546 GLU 78 HA 0.0002 0.0033 0.0017 14547 GLU 78 HB2 0.0013 0.0036 0.0018 14548 GLU 78 HB3 0.0008 0.0040 0.0018 14549 GLU 78 HG2 0.0004 0.0040 0.0018 14550 GLU 78 HG3 0.0010 0.0038 0.0018 14551 LEU 79 N 0.0008 0.0035 0.0021 14552 LEU 79 CA 0.0009 0.0030 0.0020 14553 LEU 79 C 0.0003 0.0026 0.0016 14554 LEU 79 O -0.0000 0.0025 0.0015 14555 LEU 79 CB 0.0016 0.0026 0.0021 14556 LEU 79 CG 0.0020 0.0026 0.0023 14557 LEU 79 CD1 0.0016 0.0024 0.0021 14558 LEU 79 CD2 0.0022 0.0033 0.0026 14559 LEU 79 H 0.0012 0.0035 0.0023 14560 LEU 79 HA 0.0009 0.0034 0.0021 14561 LEU 79 HB2 0.0019 0.0027 0.0023 14562 LEU 79 HB3 0.0015 0.0020 0.0019 14563 LEU 79 HG 0.0025 0.0022 0.0024 14564 LEU 79 HD11 0.0015 0.0019 0.0018 14565 LEU 79 HD12 0.0019 0.0024 0.0022 14566 LEU 79 HD13 0.0011 0.0027 0.0020 14567 LEU 79 HD21 0.0018 0.0037 0.0026 14568 LEU 79 HD22 0.0025 0.0033 0.0027 14569 LEU 79 HD23 0.0026 0.0034 0.0028 14570 ILE 80 N 0.0001 0.0023 0.0015 14571 ILE 80 CA -0.0004 0.0018 0.0011 14572 ILE 80 C -0.0011 0.0023 0.0009 14573 ILE 80 O -0.0015 0.0020 0.0007 14574 ILE 80 CB -0.0004 0.0015 0.0010 14575 ILE 80 CG1 0.0003 0.0009 0.0011 14576 ILE 80 CG2 -0.0010 0.0012 0.0006 14577 ILE 80 CD1 0.0006 0.0009 0.0012 14578 ILE 80 H 0.0004 0.0024 0.0016 14579 ILE 80 HA -0.0003 0.0014 0.0010 14580 ILE 80 HB -0.0003 0.0019 0.0011 14581 ILE 80 HG12 0.0001 0.0004 0.0009 14582 ILE 80 HG13 0.0006 0.0011 0.0013 14583 ILE 80 HG21 -0.0012 0.0009 0.0005 14584 ILE 80 HG22 -0.0014 0.0016 0.0006 14585 ILE 80 HG23 -0.0009 0.0008 0.0006 14586 ILE 80 HD11 0.0010 0.0004 0.0012 14587 ILE 80 HD12 0.0002 0.0007 0.0010 14588 ILE 80 HD13 0.0008 0.0013 0.0014 14589 LEU 81 N -0.0012 0.0029 0.0011 14590 LEU 81 CA -0.0019 0.0033 0.0010 14591 LEU 81 C -0.0020 0.0036 0.0010 14592 LEU 81 O -0.0026 0.0036 0.0008 14593 LEU 81 CB -0.0019 0.0039 0.0012 14594 LEU 81 CG -0.0018 0.0038 0.0011 14595 LEU 81 CD1 -0.0017 0.0044 0.0014 14596 LEU 81 CD2 -0.0025 0.0034 0.0008 14597 LEU 81 H -0.0009 0.0030 0.0013 14598 LEU 81 HA -0.0023 0.0030 0.0007 14599 LEU 81 HB2 -0.0015 0.0042 0.0014 14600 LEU 81 HB3 -0.0024 0.0043 0.0011 14601 LEU 81 HG -0.0014 0.0034 0.0012 14602 LEU 81 HD11 -0.0012 0.0046 0.0016 14603 LEU 81 HD12 -0.0018 0.0043 0.0013 14604 LEU 81 HD13 -0.0021 0.0048 0.0014 14605 LEU 81 HD21 -0.0029 0.0038 0.0007 14606 LEU 81 HD22 -0.0025 0.0034 0.0008 14607 LEU 81 HD23 -0.0025 0.0029 0.0006 14608 LYS 82 N -0.0014 0.0037 0.0013 14609 LYS 82 CA -0.0014 0.0040 0.0014 14610 LYS 82 C -0.0016 0.0034 0.0011 14611 LYS 82 O -0.0020 0.0036 0.0010 14612 LYS 82 CB -0.0007 0.0041 0.0017 14613 LYS 82 CG -0.0007 0.0046 0.0019 14614 LYS 82 CD 0.0000 0.0045 0.0021 14615 LYS 82 CE 0.0006 0.0048 0.0024 14616 LYS 82 NZ 0.0012 0.0048 0.0027 14617 LYS 82 H -0.0010 0.0037 0.0014 14618 LYS 82 HA -0.0018 0.0045 0.0014 14619 LYS 82 HB2 -0.0005 0.0044 0.0019 14620 LYS 82 HB3 -0.0004 0.0037 0.0017 14621 LYS 82 HG2 -0.0011 0.0045 0.0017 14622 LYS 82 HG3 -0.0007 0.0052 0.0020 14623 LYS 82 HD2 0.0001 0.0039 0.0020 14624 LYS 82 HD3 -0.0000 0.0048 0.0022 14625 LYS 82 HE2 0.0004 0.0053 0.0025 14626 LYS 82 HE3 0.0007 0.0044 0.0023 14627 LYS 82 HZ1 0.0012 0.0051 0.0027 14628 LYS 82 HZ2 0.0014 0.0042 0.0026 14629 LYS 82 HZ3 0.0016 0.0049 0.0029 14630 SER 83 N -0.0014 0.0028 0.0010 14631 SER 83 CA -0.0016 0.0022 0.0007 14632 SER 83 C -0.0023 0.0022 0.0004 14633 SER 83 O -0.0026 0.0022 0.0003 14634 SER 83 CB -0.0013 0.0015 0.0006 14635 SER 83 OG -0.0015 0.0009 0.0004 14636 SER 83 H -0.0011 0.0027 0.0011 14637 SER 83 HA -0.0013 0.0022 0.0009 14638 SER 83 HB2 -0.0008 0.0015 0.0008 14639 SER 83 HB3 -0.0015 0.0015 0.0005 14640 SER 83 HG -0.0017 0.0006 0.0002 14641 GLY 84 N -0.0028 0.0023 0.0003 14642 GLY 84 CA -0.0035 0.0024 0.0000 14643 GLY 84 C -0.0039 0.0020 -0.0002 14644 GLY 84 O -0.0038 0.0021 -0.0002 14645 GLY 84 H -0.0026 0.0024 0.0004 14646 GLY 84 HA2 -0.0037 0.0029 0.0001 14647 GLY 84 HA3 -0.0036 0.0022 -0.0001 14648 ASN 85 N -0.0042 0.0020 -0.0010 14649 ASN 85 CA -0.0047 0.0016 -0.0015 14650 ASN 85 C -0.0042 0.0009 -0.0016 14651 ASN 85 O -0.0045 0.0004 -0.0020 14652 ASN 85 CB -0.0054 0.0015 -0.0020 14653 ASN 85 CG -0.0052 0.0009 -0.0022 14654 ASN 85 OD1 -0.0050 0.0002 -0.0024 14655 ASN 85 ND2 -0.0052 0.0012 -0.0020 14656 ASN 85 H -0.0042 0.0018 -0.0011 14657 ASN 85 HA -0.0049 0.0021 -0.0014 14658 ASN 85 HB2 -0.0057 0.0012 -0.0023 14659 ASN 85 HB3 -0.0057 0.0020 -0.0019 14660 ASN 85 HD21 -0.0053 0.0018 -0.0018 14661 ASN 85 HD22 -0.0050 0.0009 -0.0021 14662 LYS 86 N -0.0035 0.0007 -0.0012 14663 LYS 86 CA -0.0029 -0.0000 -0.0013 14664 LYS 86 C -0.0021 0.0001 -0.0007 14665 LYS 86 O -0.0020 0.0007 -0.0003 14666 LYS 86 CB -0.0030 -0.0007 -0.0016 14667 LYS 86 CG -0.0029 -0.0006 -0.0015 14668 LYS 86 CD -0.0028 -0.0014 -0.0019 14669 LYS 86 CE -0.0026 -0.0013 -0.0017 14670 LYS 86 NZ -0.0018 -0.0012 -0.0012 14671 LYS 86 H -0.0033 0.0011 -0.0009 14672 LYS 86 HA -0.0031 -0.0001 -0.0014 14673 LYS 86 HB2 -0.0026 -0.0012 -0.0016 14674 LYS 86 HB3 -0.0035 -0.0009 -0.0020 14675 LYS 86 HG2 -0.0034 -0.0002 -0.0016 14676 LYS 86 HG3 -0.0024 -0.0004 -0.0011 14677 LYS 86 HD2 -0.0023 -0.0018 -0.0018 14678 LYS 86 HD3 -0.0033 -0.0016 -0.0023 14679 LYS 86 HE2 -0.0026 -0.0019 -0.0020 14680 LYS 86 HE3 -0.0030 -0.0008 -0.0017 14681 LYS 86 HZ1 -0.0014 -0.0017 -0.0012 14682 LYS 86 HZ2 -0.0017 -0.0007 -0.0009 14683 LYS 86 HZ3 -0.0017 -0.0010 -0.0010 14684 VAL 87 N -0.0016 -0.0005 -0.0007 14685 VAL 87 CA -0.0008 -0.0004 -0.0002 14686 VAL 87 C -0.0002 -0.0013 -0.0002 14687 VAL 87 O -0.0004 -0.0017 -0.0006 14688 VAL 87 CB -0.0006 0.0002 0.0002 14689 VAL 87 CG1 -0.0007 -0.0000 0.0001 14690 VAL 87 CG2 0.0002 0.0004 0.0008 14691 VAL 87 H -0.0017 -0.0010 -0.0010 14692 VAL 87 HA -0.0006 -0.0003 0.0000 14693 VAL 87 HB -0.0010 0.0008 0.0003 14694 VAL 87 HG11 -0.0004 -0.0006 -0.0000 14695 VAL 87 HG12 -0.0013 -0.0001 -0.0003 14696 VAL 87 HG13 -0.0006 0.0004 0.0004 14697 VAL 87 HG21 0.0006 -0.0002 0.0008 14698 VAL 87 HG22 0.0003 0.0007 0.0011 14699 VAL 87 HG23 0.0002 0.0007 0.0010 14700 ALA 88 N 0.0004 -0.0014 0.0001 14701 ALA 88 CA 0.0010 -0.0021 0.0001 14702 ALA 88 C 0.0016 -0.0020 0.0005 14703 ALA 88 O 0.0022 -0.0018 0.0009 14704 ALA 88 CB 0.0014 -0.0024 0.0002 14705 ALA 88 H 0.0005 -0.0010 0.0003 14706 ALA 88 HA 0.0008 -0.0026 -0.0003 14707 ALA 88 HB1 0.0010 -0.0026 -0.0002 14708 ALA 88 HB2 0.0019 -0.0029 0.0002 14709 ALA 88 HB3 0.0016 -0.0019 0.0005 14710 ILE 89 N 0.0015 -0.0022 0.0003 14711 ILE 89 CA 0.0020 -0.0021 0.0007 14712 ILE 89 C 0.0027 -0.0029 0.0007 14713 ILE 89 O 0.0025 -0.0036 0.0002 14714 ILE 89 CB 0.0016 -0.0019 0.0006 14715 ILE 89 CG1 0.0022 -0.0020 0.0009 14716 ILE 89 CG2 0.0011 -0.0024 -0.0000 14717 ILE 89 CD1 0.0019 -0.0015 0.0009 14718 ILE 89 H 0.0010 -0.0024 -0.0001 14719 ILE 89 HA 0.0023 -0.0017 0.0011 14720 ILE 89 HB 0.0013 -0.0013 0.0007 14721 ILE 89 HG12 0.0024 -0.0026 0.0007 14722 ILE 89 HG13 0.0027 -0.0018 0.0013 14723 ILE 89 HG21 0.0006 -0.0023 -0.0003 14724 ILE 89 HG22 0.0008 -0.0022 -0.0001 14725 ILE 89 HG23 0.0013 -0.0030 -0.0002 14726 ILE 89 HD11 0.0023 -0.0017 0.0010 14727 ILE 89 HD12 0.0013 -0.0017 0.0005 14728 ILE 89 HD13 0.0018 -0.0009 0.0012 14729 SER 90 N 0.0034 -0.0029 0.0011 14730 SER 90 CA 0.0040 -0.0036 0.0011 14731 SER 90 C 0.0044 -0.0037 0.0013 14732 SER 90 O 0.0047 -0.0032 0.0018 14733 SER 90 CB 0.0046 -0.0036 0.0015 14734 SER 90 OG 0.0050 -0.0044 0.0014 14735 SER 90 H 0.0035 -0.0024 0.0014 14736 SER 90 HA 0.0038 -0.0041 0.0007 14737 SER 90 HB2 0.0043 -0.0033 0.0014 14738 SER 90 HB3 0.0050 -0.0032 0.0019 14739 SER 90 HG 0.0053 -0.0046 0.0014 14740 THR 91 N 0.0070 -0.0057 0.0023 14741 THR 91 CA 0.0039 -0.0038 0.0021 14742 THR 91 C 0.0026 -0.0021 0.0018 14743 THR 91 O 0.0043 -0.0023 0.0016 14744 THR 91 CB 0.0045 -0.0013 0.0013 14745 THR 91 OG1 0.0069 0.0010 0.0003 14746 THR 91 CG2 0.0056 -0.0029 0.0016 14747 THR 91 H 0.0090 -0.0045 0.0017 14748 THR 91 HA 0.0021 -0.0054 0.0028 14749 THR 91 HB 0.0022 0.0000 0.0012 14750 THR 91 HG1 0.0060 0.0031 -0.0002 14751 THR 91 HG21 0.0080 -0.0042 0.0017 14752 THR 91 HG22 0.0038 -0.0045 0.0023 14753 THR 91 HG23 0.0060 -0.0011 0.0010 14754 THR 92 N -0.0003 -0.0006 0.0017 14755 THR 92 CA -0.0018 0.0010 0.0014 14756 THR 92 C -0.0013 0.0046 0.0002 14757 THR 92 O -0.0031 0.0064 -0.0001 14758 THR 92 CB -0.0055 0.0002 0.0021 14759 THR 92 OG1 -0.0069 0.0020 0.0017 14760 THR 92 CG2 -0.0075 0.0008 0.0021 14761 THR 92 H -0.0015 -0.0004 0.0018 14762 THR 92 HA -0.0004 -0.0000 0.0015 14763 THR 92 HB -0.0056 -0.0023 0.0028 14764 THR 92 HG1 -0.0063 0.0043 0.0010 14765 THR 92 HG21 -0.0075 0.0034 0.0014 14766 THR 92 HG22 -0.0063 -0.0005 0.0024 14767 THR 92 HG23 -0.0100 0.0001 0.0027 14768 PRO 93 N 0.0010 0.0058 -0.0004 14769 PRO 93 CA 0.0015 0.0093 -0.0015 14770 PRO 93 C -0.0016 0.0113 -0.0017 14771 PRO 93 O -0.0043 0.0099 -0.0010 14772 PRO 93 CB 0.0041 0.0095 -0.0019 14773 PRO 93 CG 0.0059 0.0064 -0.0012 14774 PRO 93 CD 0.0035 0.0039 -0.0001 14775 PRO 93 HA 0.0026 0.0103 -0.0019 14776 PRO 93 HB2 0.0028 0.0099 -0.0018 14777 PRO 93 HB3 0.0057 0.0115 -0.0026 14778 PRO 93 HG2 0.0069 0.0058 -0.0011 14779 PRO 93 HG3 0.0079 0.0064 -0.0014 14780 PRO 93 HD2 0.0024 0.0029 0.0003 14781 PRO 93 HD3 0.0047 0.0021 0.0003 14782 LEU 94 N -0.0013 0.0144 -0.0026 14783 LEU 94 CA -0.0041 0.0166 -0.0030 14784 LEU 94 C -0.0055 0.0160 -0.0026 14785 LEU 94 O -0.0037 0.0147 -0.0024 14786 LEU 94 CB -0.0031 0.0201 -0.0041 14787 LEU 94 CG 0.0006 0.0206 -0.0047 14788 LEU 94 CD1 0.0027 0.0200 -0.0048 14789 LEU 94 CD2 0.0010 0.0240 -0.0058 14790 LEU 94 H 0.0009 0.0153 -0.0032 14791 LEU 94 HA -0.0061 0.0162 -0.0026 14792 LEU 94 HB2 -0.0036 0.0213 -0.0044 14793 LEU 94 HB3 -0.0046 0.0213 -0.0043 14794 LEU 94 HG 0.0014 0.0190 -0.0043 14795 LEU 94 HD11 0.0030 0.0175 -0.0041 14796 LEU 94 HD12 0.0051 0.0211 -0.0054 14797 LEU 94 HD13 0.0014 0.0211 -0.0049 14798 LEU 94 HD21 -0.0007 0.0245 -0.0057 14799 LEU 94 HD22 0.0005 0.0257 -0.0062 14800 LEU 94 HD23 0.0035 0.0242 -0.0061 14801 GLU 95 N -0.0086 0.0169 -0.0025 14802 GLU 95 CA -0.0102 0.0165 -0.0022 14803 GLU 95 C -0.0132 0.0189 -0.0025 14804 GLU 95 O -0.0144 0.0202 -0.0027 14805 GLU 95 CB -0.0114 0.0131 -0.0010 14806 GLU 95 CG -0.0144 0.0123 -0.0004 14807 GLU 95 CD -0.0136 0.0115 -0.0003 14808 GLU 95 OE1 -0.0116 0.0092 0.0002 14809 GLU 95 OE2 -0.0150 0.0131 -0.0006 14810 GLU 95 H -0.0099 0.0180 -0.0027 14811 GLU 95 HA -0.0084 0.0170 -0.0025 14812 GLU 95 HB2 -0.0120 0.0126 -0.0008 14813 GLU 95 HB3 -0.0093 0.0114 -0.0008 14814 GLU 95 HG2 -0.0161 0.0143 -0.0008 14815 GLU 95 HG3 -0.0156 0.0103 0.0003 14816 ASN 96 N -0.0143 0.0194 -0.0026 14817 ASN 96 CA -0.0171 0.0216 -0.0028 14818 ASN 96 C -0.0203 0.0199 -0.0019 14819 ASN 96 O -0.0205 0.0170 -0.0011 14820 ASN 96 CB -0.0172 0.0229 -0.0032 14821 ASN 96 CG -0.0175 0.0202 -0.0024 14822 ASN 96 OD1 -0.0202 0.0193 -0.0018 14823 ASN 96 ND2 -0.0147 0.0190 -0.0024 14824 ASN 96 OXT -0.0226 0.0214 -0.0021 14825 ASN 96 H -0.0131 0.0184 -0.0024 14826 ASN 96 HA -0.0170 0.0236 -0.0035 14827 ASN 96 HB2 -0.0192 0.0245 -0.0035 14828 ASN 96 HB3 -0.0149 0.0241 -0.0038 14829 ASN 96 HD21 -0.0125 0.0198 -0.0029 14830 ASN 96 HD22 -0.0148 0.0173 -0.0018 14831 SER 101 N -0.0021 0.0026 0.0015 14832 SER 101 CA -0.0017 0.0026 0.0018 14833 SER 101 C -0.0004 0.0023 0.0021 14834 SER 101 O 0.0000 0.0024 0.0027 14835 SER 101 CB -0.0024 0.0032 0.0027 14836 SER 101 OG -0.0035 0.0034 0.0023 14837 SER 101 H1 -0.0029 0.0028 0.0013 14838 SER 101 H2 -0.0018 0.0028 0.0022 14839 SER 101 H3 -0.0017 0.0022 0.0008 14840 SER 101 HA -0.0019 0.0024 0.0010 14841 SER 101 HB2 -0.0023 0.0034 0.0034 14842 SER 101 HB3 -0.0021 0.0031 0.0029 14843 SER 101 HG -0.0040 0.0037 0.0027 14844 TRP 102 N 0.0001 0.0020 0.0017 14845 TRP 102 CA 0.0014 0.0017 0.0020 14846 TRP 102 C 0.0020 0.0013 0.0014 14847 TRP 102 O 0.0027 0.0013 0.0020 14848 TRP 102 CB 0.0017 0.0021 0.0033 14849 TRP 102 CG 0.0028 0.0019 0.0036 14850 TRP 102 CD1 0.0038 0.0014 0.0031 14851 TRP 102 CD2 0.0030 0.0021 0.0044 14852 TRP 102 NE1 0.0046 0.0013 0.0036 14853 TRP 102 CE2 0.0042 0.0017 0.0044 14854 TRP 102 CE3 0.0023 0.0026 0.0052 14855 TRP 102 CZ2 0.0046 0.0019 0.0052 14856 TRP 102 CZ3 0.0028 0.0027 0.0059 14857 TRP 102 CH2 0.0040 0.0023 0.0059 14858 TRP 102 H -0.0003 0.0020 0.0013 14859 TRP 102 HA 0.0016 0.0015 0.0016 14860 TRP 102 HB2 0.0010 0.0024 0.0037 14861 TRP 102 HB3 0.0018 0.0022 0.0036 14862 TRP 102 HD1 0.0039 0.0011 0.0025 14863 TRP 102 HE1 0.0054 0.0010 0.0034 14864 TRP 102 HE3 0.0015 0.0029 0.0052 14865 TRP 102 HZ2 0.0055 0.0016 0.0052 14866 TRP 102 HZ3 0.0023 0.0031 0.0065 14867 TRP 102 HH2 0.0043 0.0024 0.0065 14868 GLU 103 N 0.0016 0.0010 0.0004 14869 GLU 103 CA 0.0021 0.0006 -0.0003 14870 GLU 103 C 0.0033 0.0001 -0.0006 14871 GLU 103 O 0.0040 -0.0002 -0.0008 14872 GLU 103 CB 0.0013 0.0005 -0.0013 14873 GLU 103 CG 0.0004 0.0008 -0.0012 14874 GLU 103 CD -0.0004 0.0014 -0.0004 14875 GLU 103 OE1 -0.0007 0.0015 -0.0003 14876 GLU 103 OE2 -0.0008 0.0017 0.0002 14877 GLU 103 H 0.0010 0.0011 0.0000 14878 GLU 103 HA 0.0022 0.0008 0.0002 14879 GLU 103 HB2 0.0009 0.0005 -0.0016 14880 GLU 103 HB3 0.0018 0.0001 -0.0020 14881 GLU 103 HG2 -0.0001 0.0007 -0.0020 14882 GLU 103 HG3 0.0008 0.0008 -0.0009 14883 SER 104 N 0.0035 0.0001 -0.0005 14884 SER 104 CA 0.0046 -0.0004 -0.0008 14885 SER 104 C 0.0048 -0.0003 -0.0005 14886 SER 104 O 0.0040 0.0001 -0.0002 14887 SER 104 CB 0.0047 -0.0009 -0.0020 14888 SER 104 OG 0.0039 -0.0009 -0.0027 14889 SER 104 H 0.0029 0.0003 -0.0003 14890 SER 104 HA 0.0053 -0.0004 -0.0003 14891 SER 104 HB2 0.0055 -0.0012 -0.0022 14892 SER 104 HB3 0.0047 -0.0009 -0.0022 14893 SER 104 HG 0.0035 -0.0009 -0.0032 14894 HIS 105 N 0.0058 -0.0007 -0.0007 14895 HIS 105 CA 0.0060 -0.0007 -0.0005 14896 HIS 105 C 0.0062 -0.0012 -0.0016 14897 HIS 105 O 0.0068 -0.0014 -0.0016 14898 HIS 105 CB 0.0071 -0.0008 0.0003 14899 HIS 105 CG 0.0070 -0.0003 0.0014 14900 HIS 105 ND1 0.0073 -0.0003 0.0018 14901 HIS 105 CD2 0.0065 0.0002 0.0023 14902 HIS 105 CE1 0.0070 0.0002 0.0028 14903 HIS 105 NE2 0.0066 0.0005 0.0031 14904 HIS 105 H 0.0064 -0.0010 -0.0009 14905 HIS 105 HA 0.0054 -0.0004 -0.0001 14906 HIS 105 HB2 0.0075 -0.0009 0.0004 14907 HIS 105 HB3 0.0077 -0.0011 -0.0001 14908 HIS 105 HD2 0.0062 0.0003 0.0023 14909 HIS 105 HE1 0.0072 0.0003 0.0033 14910 HIS 105 HE2 0.0065 0.0008 0.0039 14911 LYS 106 N 0.0056 -0.0013 -0.0025 14912 LYS 106 CA 0.0057 -0.0018 -0.0036 14913 LYS 106 C 0.0050 -0.0017 -0.0039 14914 LYS 106 O 0.0046 -0.0019 -0.0048 14915 LYS 106 CB 0.0053 -0.0020 -0.0045 14916 LYS 106 CG 0.0060 -0.0021 -0.0044 14917 LYS 106 CD 0.0055 -0.0023 -0.0051 14918 LYS 106 CE 0.0056 -0.0028 -0.0064 14919 LYS 106 NZ 0.0053 -0.0030 -0.0071 14920 LYS 106 H 0.0051 -0.0011 -0.0024 14921 LYS 106 HA 0.0066 -0.0021 -0.0037 14922 LYS 106 HB2 0.0044 -0.0016 -0.0044 14923 LYS 106 HB3 0.0053 -0.0023 -0.0053 14924 LYS 106 HG2 0.0068 -0.0025 -0.0046 14925 LYS 106 HG3 0.0060 -0.0018 -0.0035 14926 LYS 106 HD2 0.0059 -0.0023 -0.0049 14927 LYS 106 HD3 0.0046 -0.0019 -0.0050 14928 LYS 106 HE2 0.0050 -0.0027 -0.0066 14929 LYS 106 HE3 0.0064 -0.0031 -0.0064 14930 LYS 106 HZ1 0.0045 -0.0027 -0.0070 14931 LYS 106 HZ2 0.0059 -0.0031 -0.0069 14932 LYS 106 HZ3 0.0053 -0.0033 -0.0079 14933 SER 107 N 0.0044 0.0016 0.0007 14934 SER 107 CA 0.0041 0.0016 0.0006 14935 SER 107 C 0.0039 0.0017 0.0005 14936 SER 107 O 0.0036 0.0017 0.0005 14937 SER 107 CB 0.0040 0.0014 0.0007 14938 SER 107 OG 0.0043 0.0013 0.0008 14939 SER 107 H 0.0044 0.0014 0.0007 14940 SER 107 HA 0.0042 0.0018 0.0005 14941 SER 107 HB2 0.0039 0.0012 0.0008 14942 SER 107 HB3 0.0038 0.0015 0.0006 14943 SER 107 HG 0.0042 0.0012 0.0008 14944 GLY 108 N 0.0040 0.0017 0.0005 14945 GLY 108 CA 0.0038 0.0018 0.0005 14946 GLY 108 C 0.0039 0.0016 0.0006 14947 GLY 108 O 0.0041 0.0015 0.0006 14948 GLY 108 H 0.0042 0.0017 0.0006 14949 GLY 108 HA2 0.0038 0.0020 0.0004 14950 GLY 108 HA3 0.0036 0.0017 0.0005 14951 GLY 109 N 0.0037 0.0016 0.0005 14952 GLY 109 CA 0.0037 0.0015 0.0006 14953 GLY 109 C 0.0035 0.0012 0.0007 14954 GLY 109 O 0.0036 0.0010 0.0008 14955 GLY 109 H 0.0035 0.0017 0.0005 14956 GLY 109 HA2 0.0040 0.0014 0.0007 14957 GLY 109 HA3 0.0037 0.0016 0.0006 14958 GLU 110 N 0.0033 0.0012 0.0007 14959 GLU 110 CA 0.0031 0.0010 0.0008 14960 GLU 110 C 0.0028 0.0011 0.0007 14961 GLU 110 O 0.0027 0.0012 0.0006 14962 GLU 110 CB 0.0032 0.0008 0.0008 14963 GLU 110 CG 0.0031 0.0005 0.0010 14964 GLU 110 CD 0.0028 0.0004 0.0010 14965 GLU 110 OE1 0.0027 0.0004 0.0010 14966 GLU 110 OE2 0.0026 0.0004 0.0010 14967 GLU 110 H 0.0032 0.0014 0.0006 14968 GLU 110 HA 0.0031 0.0009 0.0008 14969 GLU 110 HB2 0.0034 0.0009 0.0009 14970 GLU 110 HB3 0.0031 0.0009 0.0008 14971 GLU 110 HG2 0.0032 0.0005 0.0010 14972 GLU 110 HG3 0.0032 0.0004 0.0010 14973 THR 111 N 0.0026 0.0011 0.0006 14974 THR 111 CA 0.0023 0.0012 0.0006 14975 THR 111 C 0.0020 0.0010 0.0006 14976 THR 111 O 0.0019 0.0010 0.0006 14977 THR 111 CB 0.0022 0.0015 0.0004 14978 THR 111 OG1 0.0025 0.0016 0.0004 14979 THR 111 CG2 0.0019 0.0016 0.0003 14980 THR 111 H 0.0026 0.0010 0.0007 14981 THR 111 HA 0.0022 0.0012 0.0005 14982 THR 111 HB 0.0022 0.0014 0.0005 14983 THR 111 HG1 0.0027 0.0015 0.0005 14984 THR 111 HG21 0.0019 0.0018 0.0003 14985 THR 111 HG22 0.0019 0.0016 0.0003 14986 THR 111 HG23 0.0017 0.0015 0.0004 14987 ARG 112 N 0.0020 0.0008 0.0007 14988 ARG 112 CA 0.0018 0.0005 0.0008 14989 ARG 112 C 0.0014 0.0006 0.0007 14990 ARG 112 O 0.0014 0.0009 0.0006 14991 ARG 112 CB 0.0018 0.0003 0.0009 14992 ARG 112 CG 0.0017 0.0004 0.0009 14993 ARG 112 CD 0.0019 0.0002 0.0010 14994 ARG 112 NE 0.0018 0.0003 0.0009 14995 ARG 112 CZ 0.0020 0.0004 0.0009 14996 ARG 112 NH1 0.0023 0.0004 0.0009 14997 ARG 112 NH2 0.0019 0.0004 0.0009 14998 ARG 112 H 0.0021 0.0008 0.0007 14999 ARG 112 HA 0.0018 0.0005 0.0009 15000 ARG 112 HB2 0.0016 0.0001 0.0010 15001 ARG 112 HB3 0.0020 0.0002 0.0010 15002 ARG 112 HG2 0.0018 0.0006 0.0008 15003 ARG 112 HG3 0.0015 0.0003 0.0009 15004 ARG 112 HD2 0.0019 -0.0000 0.0011 15005 ARG 112 HD3 0.0021 0.0003 0.0010 15006 ARG 112 HE 0.0016 0.0002 0.0009 15007 ARG 112 HH11 0.0024 0.0004 0.0009 15008 ARG 112 HH12 0.0024 0.0005 0.0009 15009 ARG 112 HH21 0.0017 0.0004 0.0009 15010 ARG 112 HH22 0.0021 0.0005 0.0009 15011 LEU 113 N -0.0001 0.0017 0.0009 15012 LEU 113 CA -0.0006 0.0017 0.0007 15013 LEU 113 C -0.0012 0.0016 0.0003 15014 LEU 113 O -0.0015 0.0010 0.0002 15015 LEU 113 CB -0.0005 0.0012 0.0007 15016 LEU 113 CG -0.0000 0.0015 0.0009 15017 LEU 113 CD1 -0.0004 0.0022 0.0008 15018 LEU 113 CD2 0.0006 0.0017 0.0012 15019 LEU 113 OXT -0.0014 0.0020 0.0003 15020 LEU 113 H 0.0002 0.0012 0.0009 15021 LEU 113 HA -0.0006 0.0023 0.0007 15022 LEU 113 HB2 -0.0002 0.0007 0.0007 15023 LEU 113 HB3 -0.0009 0.0011 0.0004 15024 LEU 113 HG 0.0000 0.0011 0.0009 15025 LEU 113 HD11 -0.0008 0.0020 0.0006 15026 LEU 113 HD12 -0.0000 0.0024 0.0010 15027 LEU 113 HD13 -0.0005 0.0026 0.0008 15028 LEU 113 HD21 0.0008 0.0012 0.0012 15029 LEU 113 HD22 0.0006 0.0021 0.0012 15030 LEU 113 HD23 0.0009 0.0018 0.0014 15031 GLY 1 N -0.0100 -0.0016 0.0120 15032 GLY 1 CA -0.0087 -0.0014 0.0107 15033 GLY 1 C -0.0058 -0.0024 0.0086 15034 GLY 1 O -0.0048 -0.0011 0.0069 15035 GLY 1 H1 -0.0121 -0.0006 0.0132 15036 GLY 1 H2 -0.0095 -0.0038 0.0129 15037 GLY 1 H3 -0.0095 -0.0004 0.0107 15038 GLY 1 HA2 -0.0095 0.0008 0.0099 15039 GLY 1 HA3 -0.0091 -0.0029 0.0120 15040 GLY 2 N -0.0043 -0.0047 0.0087 15041 GLY 2 CA -0.0014 -0.0058 0.0068 15042 GLY 2 C -0.0002 -0.0087 0.0075 15043 GLY 2 O -0.0015 -0.0100 0.0097 15044 GLY 2 H -0.0051 -0.0056 0.0101 15045 GLY 2 HA2 -0.0009 -0.0061 0.0065 15046 GLY 2 HA3 -0.0007 -0.0041 0.0051 15047 SER 3 N 0.0024 -0.0097 0.0058 15048 SER 3 CA 0.0039 -0.0124 0.0063 15049 SER 3 C 0.0063 -0.0122 0.0039 15050 SER 3 O 0.0072 -0.0103 0.0019 15051 SER 3 CB 0.0048 -0.0151 0.0072 15052 SER 3 OG 0.0026 -0.0154 0.0094 15053 SER 3 H 0.0034 -0.0085 0.0041 15054 SER 3 HA 0.0026 -0.0128 0.0077 15055 SER 3 HB2 0.0060 -0.0147 0.0058 15056 SER 3 HB3 0.0058 -0.0171 0.0075 15057 SER 3 HG 0.0010 -0.0137 0.0098 15058 MET 4 N 0.0073 -0.0141 0.0043 15059 MET 4 CA 0.0095 -0.0141 0.0022 15060 MET 4 C 0.0090 -0.0112 0.0008 15061 MET 4 O 0.0097 -0.0092 -0.0012 15062 MET 4 CB 0.0120 -0.0148 0.0004 15063 MET 4 CG 0.0133 -0.0181 0.0014 15064 MET 4 SD 0.0158 -0.0187 -0.0005 15065 MET 4 CE 0.0179 -0.0172 -0.0035 15066 MET 4 H 0.0064 -0.0155 0.0060 15067 MET 4 HA 0.0099 -0.0159 0.0030 15068 MET 4 HB2 0.0114 -0.0135 0.0000 15069 MET 4 HB3 0.0135 -0.0142 -0.0013 15070 MET 4 HG2 0.0141 -0.0194 0.0014 15071 MET 4 HG3 0.0117 -0.0188 0.0032 15072 MET 4 HE1 0.0169 -0.0149 -0.0040 15073 MET 4 HE2 0.0196 -0.0174 -0.0049 15074 MET 4 HE3 0.0186 -0.0184 -0.0034 15075 ARG 5 N 0.0076 -0.0108 0.0019 15076 ARG 5 CA 0.0069 -0.0081 0.0007 15077 ARG 5 C 0.0093 -0.0081 -0.0015 15078 ARG 5 O 0.0109 -0.0104 -0.0015 15079 ARG 5 CB 0.0047 -0.0079 0.0026 15080 ARG 5 CG 0.0020 -0.0072 0.0046 15081 ARG 5 CD 0.0017 -0.0101 0.0067 15082 ARG 5 NE -0.0010 -0.0095 0.0088 15083 ARG 5 CZ -0.0019 -0.0116 0.0110 15084 ARG 5 NH1 -0.0003 -0.0145 0.0114 15085 ARG 5 NH2 -0.0044 -0.0109 0.0128 15086 ARG 5 H 0.0070 -0.0124 0.0034 15087 ARG 5 HA 0.0062 -0.0062 0.0001 15088 ARG 5 HB2 0.0052 -0.0100 0.0035 15089 ARG 5 HB3 0.0045 -0.0062 0.0016 15090 ARG 5 HG2 0.0005 -0.0063 0.0054 15091 ARG 5 HG3 0.0017 -0.0057 0.0038 15092 ARG 5 HD2 0.0031 -0.0109 0.0060 15093 ARG 5 HD3 0.0022 -0.0117 0.0074 15094 ARG 5 HE -0.0022 -0.0074 0.0085 15095 ARG 5 HH11 0.0016 -0.0151 0.0101 15096 ARG 5 HH12 -0.0010 -0.0161 0.0131 15097 ARG 5 HH21 -0.0055 -0.0087 0.0125 15098 ARG 5 HH22 -0.0051 -0.0125 0.0145 15099 PRO 6 N 0.0097 -0.0054 -0.0036 15100 PRO 6 CA 0.0120 -0.0051 -0.0059 15101 PRO 6 C 0.0115 -0.0045 -0.0059 15102 PRO 6 O 0.0099 -0.0021 -0.0060 15103 PRO 6 CB 0.0122 -0.0024 -0.0079 15104 PRO 6 CG 0.0100 -0.0013 -0.0065 15105 PRO 6 CD 0.0080 -0.0025 -0.0039 15106 PRO 6 HA 0.0137 -0.0071 -0.0062 15107 PRO 6 HB2 0.0122 -0.0007 -0.0089 15108 PRO 6 HB3 0.0141 -0.0031 -0.0091 15109 PRO 6 HG2 0.0091 0.0011 -0.0073 15110 PRO 6 HG3 0.0106 -0.0021 -0.0066 15111 PRO 6 HD2 0.0068 -0.0011 -0.0037 15112 PRO 6 HD3 0.0068 -0.0027 -0.0027 15113 PRO 7 N 0.0043 -0.0054 -0.0006 15114 PRO 7 CA 0.0036 -0.0046 -0.0005 15115 PRO 7 C 0.0027 -0.0048 -0.0011 15116 PRO 7 O 0.0023 -0.0051 -0.0014 15117 PRO 7 CB 0.0036 -0.0040 -0.0002 15118 PRO 7 CG 0.0044 -0.0044 0.0000 15119 PRO 7 CD 0.0046 -0.0054 -0.0004 15120 PRO 7 HA 0.0038 -0.0042 -0.0002 15121 PRO 7 HB2 0.0029 -0.0040 -0.0005 15122 PRO 7 HB3 0.0036 -0.0033 0.0002 15123 PRO 7 HG2 0.0042 -0.0043 -0.0000 15124 PRO 7 HG3 0.0049 -0.0041 0.0005 15125 PRO 7 HD2 0.0042 -0.0057 -0.0008 15126 PRO 7 HD3 0.0053 -0.0056 -0.0002 15127 ILE 8 N 0.0023 -0.0046 -0.0011 15128 ILE 8 CA 0.0015 -0.0047 -0.0016 15129 ILE 8 C 0.0008 -0.0039 -0.0016 15130 ILE 8 O 0.0007 -0.0032 -0.0012 15131 ILE 8 CB 0.0014 -0.0048 -0.0017 15132 ILE 8 CG1 0.0022 -0.0052 -0.0015 15133 ILE 8 CG2 0.0007 -0.0053 -0.0024 15134 ILE 8 CD1 0.0025 -0.0048 -0.0011 15135 ILE 8 H 0.0027 -0.0043 -0.0008 15136 ILE 8 HA 0.0014 -0.0053 -0.0020 15137 ILE 8 HB 0.0011 -0.0041 -0.0014 15138 ILE 8 HG12 0.0022 -0.0059 -0.0019 15139 ILE 8 HG13 0.0027 -0.0053 -0.0013 15140 ILE 8 HG21 0.0001 -0.0050 -0.0025 15141 ILE 8 HG22 0.0005 -0.0052 -0.0024 15142 ILE 8 HG23 0.0009 -0.0059 -0.0026 15143 ILE 8 HD11 0.0020 -0.0047 -0.0013 15144 ILE 8 HD12 0.0026 -0.0041 -0.0007 15145 ILE 8 HD13 0.0031 -0.0052 -0.0010 15146 ILE 9 N 0.0003 -0.0041 -0.0019 15147 ILE 9 CA -0.0004 -0.0034 -0.0019 15148 ILE 9 C -0.0012 -0.0032 -0.0022 15149 ILE 9 O -0.0018 -0.0037 -0.0027 15150 ILE 9 CB -0.0007 -0.0037 -0.0022 15151 ILE 9 CG1 0.0001 -0.0043 -0.0021 15152 ILE 9 CG2 -0.0011 -0.0029 -0.0019 15153 ILE 9 CD1 0.0008 -0.0038 -0.0014 15154 ILE 9 H 0.0004 -0.0047 -0.0022 15155 ILE 9 HA -0.0001 -0.0029 -0.0014 15156 ILE 9 HB -0.0012 -0.0041 -0.0026 15157 ILE 9 HG12 0.0004 -0.0048 -0.0022 15158 ILE 9 HG13 -0.0001 -0.0045 -0.0023 15159 ILE 9 HG21 -0.0017 -0.0025 -0.0020 15160 ILE 9 HG22 -0.0013 -0.0031 -0.0021 15161 ILE 9 HG23 -0.0006 -0.0025 -0.0014 15162 ILE 9 HD11 0.0014 -0.0042 -0.0014 15163 ILE 9 HD12 0.0011 -0.0035 -0.0012 15164 ILE 9 HD13 0.0005 -0.0032 -0.0013 15165 ILE 10 N -0.0013 -0.0025 -0.0018 15166 ILE 10 CA -0.0021 -0.0022 -0.0020 15167 ILE 10 C -0.0029 -0.0018 -0.0022 15168 ILE 10 O -0.0027 -0.0016 -0.0020 15169 ILE 10 CB -0.0020 -0.0015 -0.0016 15170 ILE 10 CG1 -0.0012 -0.0018 -0.0014 15171 ILE 10 CG2 -0.0028 -0.0013 -0.0019 15172 ILE 10 CD1 -0.0007 -0.0011 -0.0007 15173 ILE 10 H -0.0009 -0.0022 -0.0014 15174 ILE 10 HA -0.0023 -0.0028 -0.0024 15175 ILE 10 HB -0.0020 -0.0009 -0.0012 15176 ILE 10 HG12 -0.0014 -0.0021 -0.0016 15177 ILE 10 HG13 -0.0008 -0.0024 -0.0014 15178 ILE 10 HG21 -0.0027 -0.0011 -0.0017 15179 ILE 10 HG22 -0.0031 -0.0019 -0.0024 15180 ILE 10 HG23 -0.0034 -0.0008 -0.0019 15181 ILE 10 HD11 -0.0007 -0.0008 -0.0005 15182 ILE 10 HD12 -0.0001 -0.0014 -0.0005 15183 ILE 10 HD13 -0.0011 -0.0007 -0.0007 15184 HIS 11 N -0.0037 -0.0017 -0.0025 15185 HIS 11 CA -0.0045 -0.0013 -0.0027 15186 HIS 11 C -0.0051 -0.0007 -0.0027 15187 HIS 11 O -0.0056 -0.0010 -0.0031 15188 HIS 11 CB -0.0049 -0.0020 -0.0033 15189 HIS 11 CG -0.0056 -0.0016 -0.0034 15190 HIS 11 ND1 -0.0065 -0.0016 -0.0039 15191 HIS 11 CD2 -0.0055 -0.0012 -0.0032 15192 HIS 11 CE1 -0.0069 -0.0013 -0.0039 15193 HIS 11 NE2 -0.0063 -0.0010 -0.0035 15194 HIS 11 H -0.0038 -0.0019 -0.0027 15195 HIS 11 HA -0.0043 -0.0009 -0.0024 15196 HIS 11 HB2 -0.0044 -0.0024 -0.0033 15197 HIS 11 HB3 -0.0052 -0.0023 -0.0036 15198 HIS 11 HD2 -0.0049 -0.0011 -0.0028 15199 HIS 11 HE1 -0.0076 -0.0012 -0.0042 15200 HIS 11 HE2 -0.0064 -0.0009 -0.0035 15201 ARG 12 N -0.0052 0.0001 -0.0023 15202 ARG 12 CA -0.0058 0.0008 -0.0022 15203 ARG 12 C -0.0068 0.0007 -0.0027 15204 ARG 12 O -0.0072 0.0009 -0.0028 15205 ARG 12 CB -0.0057 0.0017 -0.0016 15206 ARG 12 CG -0.0062 0.0024 -0.0015 15207 ARG 12 CD -0.0061 0.0033 -0.0009 15208 ARG 12 NE -0.0066 0.0040 -0.0008 15209 ARG 12 CZ -0.0073 0.0046 -0.0008 15210 ARG 12 NH1 -0.0075 0.0046 -0.0009 15211 ARG 12 NH2 -0.0077 0.0052 -0.0007 15212 ARG 12 H -0.0049 0.0004 -0.0020 15213 ARG 12 HA -0.0056 0.0006 -0.0022 15214 ARG 12 HB2 -0.0050 0.0017 -0.0013 15215 ARG 12 HB3 -0.0059 0.0018 -0.0017 15216 ARG 12 HG2 -0.0070 0.0024 -0.0019 15217 ARG 12 HG3 -0.0061 0.0022 -0.0015 15218 ARG 12 HD2 -0.0054 0.0032 -0.0006 15219 ARG 12 HD3 -0.0062 0.0034 -0.0009 15220 ARG 12 HE -0.0065 0.0040 -0.0007 15221 ARG 12 HH11 -0.0071 0.0041 -0.0010 15222 ARG 12 HH12 -0.0079 0.0050 -0.0009 15223 ARG 12 HH21 -0.0076 0.0053 -0.0006 15224 ARG 12 HH22 -0.0082 0.0057 -0.0006 15225 ALA 13 N -0.0076 -0.0003 -0.0032 15226 ALA 13 CA -0.0087 -0.0004 -0.0038 15227 ALA 13 C -0.0093 0.0007 -0.0037 15228 ALA 13 O -0.0099 0.0007 -0.0040 15229 ALA 13 CB -0.0088 -0.0013 -0.0041 15230 ALA 13 H -0.0071 -0.0005 -0.0030 15231 ALA 13 HA -0.0090 -0.0006 -0.0040 15232 ALA 13 HB1 -0.0096 -0.0015 -0.0045 15233 ALA 13 HB2 -0.0086 -0.0010 -0.0039 15234 ALA 13 HB3 -0.0083 -0.0020 -0.0041 15235 GLY 14 N -0.0092 0.0016 -0.0034 15236 GLY 14 CA -0.0097 0.0027 -0.0033 15237 GLY 14 C -0.0092 0.0031 -0.0029 15238 GLY 14 O -0.0096 0.0041 -0.0028 15239 GLY 14 H -0.0087 0.0015 -0.0032 15240 GLY 14 HA2 -0.0097 0.0032 -0.0031 15241 GLY 14 HA3 -0.0105 0.0026 -0.0037 15242 LYS 15 N -0.0084 0.0025 -0.0027 15243 LYS 15 CA -0.0079 0.0029 -0.0023 15244 LYS 15 C -0.0068 0.0030 -0.0018 15245 LYS 15 O -0.0065 0.0039 -0.0013 15246 LYS 15 CB -0.0080 0.0022 -0.0026 15247 LYS 15 CG -0.0081 0.0009 -0.0030 15248 LYS 15 CD -0.0079 0.0002 -0.0032 15249 LYS 15 CE -0.0088 0.0005 -0.0035 15250 LYS 15 NZ -0.0086 -0.0002 -0.0036 15251 LYS 15 H -0.0082 0.0018 -0.0028 15252 LYS 15 HA -0.0083 0.0037 -0.0023 15253 LYS 15 HB2 -0.0074 0.0022 -0.0023 15254 LYS 15 HB3 -0.0087 0.0025 -0.0029 15255 LYS 15 HG2 -0.0088 0.0009 -0.0034 15256 LYS 15 HG3 -0.0075 0.0007 -0.0028 15257 LYS 15 HD2 -0.0079 -0.0006 -0.0035 15258 LYS 15 HD3 -0.0072 0.0003 -0.0028 15259 LYS 15 HE2 -0.0089 0.0013 -0.0033 15260 LYS 15 HE3 -0.0095 0.0003 -0.0039 15261 LYS 15 HZ1 -0.0085 -0.0010 -0.0039 15262 LYS 15 HZ2 -0.0092 0.0000 -0.0039 15263 LYS 15 HZ3 -0.0079 -0.0000 -0.0033 15264 LYS 16 N -0.0061 0.0021 -0.0017 15265 LYS 16 CA -0.0050 0.0021 -0.0012 15266 LYS 16 C -0.0045 0.0009 -0.0013 15267 LYS 16 O -0.0050 0.0002 -0.0018 15268 LYS 16 CB -0.0045 0.0024 -0.0008 15269 LYS 16 CG -0.0049 0.0019 -0.0012 15270 LYS 16 CD -0.0047 0.0026 -0.0009 15271 LYS 16 CE -0.0052 0.0022 -0.0012 15272 LYS 16 NZ -0.0050 0.0029 -0.0010 15273 LYS 16 H -0.0064 0.0014 -0.0021 15274 LYS 16 HA -0.0049 0.0026 -0.0010 15275 LYS 16 HB2 -0.0036 0.0021 -0.0005 15276 LYS 16 HB3 -0.0046 0.0033 -0.0006 15277 LYS 16 HG2 -0.0057 0.0019 -0.0016 15278 LYS 16 HG3 -0.0045 0.0011 -0.0012 15279 LYS 16 HD2 -0.0039 0.0027 -0.0005 15280 LYS 16 HD3 -0.0051 0.0035 -0.0008 15281 LYS 16 HE2 -0.0060 0.0021 -0.0017 15282 LYS 16 HE3 -0.0048 0.0014 -0.0013 15283 LYS 16 HZ1 -0.0043 0.0027 -0.0006 15284 LYS 16 HZ2 -0.0055 0.0026 -0.0013 15285 LYS 16 HZ3 -0.0052 0.0037 -0.0008 15286 TYR 17 N -0.0035 0.0008 -0.0009 15287 TYR 17 CA -0.0029 -0.0003 -0.0009 15288 TYR 17 C -0.0025 -0.0010 -0.0010 15289 TYR 17 O -0.0020 -0.0019 -0.0010 15290 TYR 17 CB -0.0020 -0.0001 -0.0004 15291 TYR 17 CG -0.0023 0.0008 -0.0003 15292 TYR 17 CD1 -0.0023 0.0019 0.0000 15293 TYR 17 CD2 -0.0027 0.0005 -0.0006 15294 TYR 17 CE1 -0.0026 0.0027 0.0001 15295 TYR 17 CE2 -0.0030 0.0013 -0.0005 15296 TYR 17 CZ -0.0030 0.0024 -0.0001 15297 TYR 17 OH -0.0034 0.0032 -0.0001 15298 TYR 17 H -0.0031 0.0014 -0.0005 15299 TYR 17 HA -0.0034 -0.0007 -0.0013 15300 TYR 17 HB2 -0.0014 0.0002 -0.0001 15301 TYR 17 HB3 -0.0017 -0.0008 -0.0005 15302 TYR 17 HD1 -0.0020 0.0021 0.0003 15303 TYR 17 HD2 -0.0027 -0.0004 -0.0009 15304 TYR 17 HE1 -0.0026 0.0036 0.0004 15305 TYR 17 HE2 -0.0033 0.0010 -0.0007 15306 TYR 17 HH -0.0037 0.0029 -0.0003 15307 GLY 18 N -0.0029 -0.0006 -0.0010 15308 GLY 18 CA -0.0027 -0.0011 -0.0011 15309 GLY 18 C -0.0015 -0.0015 -0.0007 15310 GLY 18 O -0.0013 -0.0025 -0.0009 15311 GLY 18 H -0.0033 0.0002 -0.0010 15312 GLY 18 HA2 -0.0030 -0.0006 -0.0011 15313 GLY 18 HA3 -0.0031 -0.0018 -0.0015 15314 PHE 19 N 0.0006 -0.0002 0.0010 15315 PHE 19 CA 0.0010 -0.0003 0.0012 15316 PHE 19 C 0.0012 0.0000 0.0011 15317 PHE 19 O 0.0011 0.0003 0.0010 15318 PHE 19 CB 0.0009 -0.0005 0.0013 15319 PHE 19 CG 0.0008 -0.0003 0.0011 15320 PHE 19 CD1 0.0005 -0.0002 0.0009 15321 PHE 19 CD2 0.0010 -0.0003 0.0012 15322 PHE 19 CE1 0.0004 -0.0000 0.0008 15323 PHE 19 CE2 0.0009 -0.0001 0.0011 15324 PHE 19 CZ 0.0006 -0.0000 0.0009 15325 PHE 19 H 0.0006 0.0000 0.0009 15326 PHE 19 HA 0.0011 -0.0004 0.0013 15327 PHE 19 HB2 0.0011 -0.0006 0.0014 15328 PHE 19 HB3 0.0006 -0.0007 0.0013 15329 PHE 19 HD1 0.0003 -0.0002 0.0009 15330 PHE 19 HD2 0.0013 -0.0004 0.0014 15331 PHE 19 HE1 0.0002 0.0001 0.0007 15332 PHE 19 HE2 0.0011 -0.0001 0.0012 15333 PHE 19 HZ 0.0006 0.0001 0.0008 15334 THR 20 N 0.0016 -0.0000 0.0013 15335 THR 20 CA 0.0019 0.0002 0.0013 15336 THR 20 C 0.0020 0.0002 0.0013 15337 THR 20 O 0.0021 -0.0000 0.0015 15338 THR 20 CB 0.0022 0.0002 0.0014 15339 THR 20 OG1 0.0021 0.0002 0.0014 15340 THR 20 CG2 0.0025 0.0004 0.0014 15341 THR 20 H 0.0016 -0.0003 0.0014 15342 THR 20 HA 0.0018 0.0005 0.0011 15343 THR 20 HB 0.0022 -0.0001 0.0016 15344 THR 20 HG1 0.0022 0.0001 0.0015 15345 THR 20 HG21 0.0025 0.0007 0.0013 15346 THR 20 HG22 0.0025 0.0004 0.0014 15347 THR 20 HG23 0.0027 0.0004 0.0016 15348 LEU 21 N 0.0019 0.0005 0.0012 15349 LEU 21 CA 0.0020 0.0005 0.0012 15350 LEU 21 C 0.0024 0.0006 0.0013 15351 LEU 21 O 0.0025 0.0009 0.0012 15352 LEU 21 CB 0.0018 0.0007 0.0010 15353 LEU 21 CG 0.0018 0.0005 0.0011 15354 LEU 21 CD1 0.0019 0.0002 0.0013 15355 LEU 21 CD2 0.0014 0.0005 0.0009 15356 LEU 21 H 0.0018 0.0007 0.0011 15357 LEU 21 HA 0.0020 0.0002 0.0013 15358 LEU 21 HB2 0.0016 0.0007 0.0010 15359 LEU 21 HB3 0.0020 0.0009 0.0010 15360 LEU 21 HG 0.0019 0.0007 0.0011 15361 LEU 21 HD11 0.0018 0.0001 0.0013 15362 LEU 21 HD12 0.0017 0.0000 0.0013 15363 LEU 21 HD13 0.0021 0.0002 0.0014 15364 LEU 21 HD21 0.0012 0.0004 0.0010 15365 LEU 21 HD22 0.0013 0.0005 0.0010 15366 LEU 21 HD23 0.0013 0.0008 0.0008 15367 ARG 22 N 0.0027 0.0004 0.0015 15368 ARG 22 CA 0.0030 0.0005 0.0016 15369 ARG 22 C 0.0032 0.0006 0.0016 15370 ARG 22 O 0.0030 0.0005 0.0016 15371 ARG 22 CB 0.0032 0.0003 0.0018 15372 ARG 22 CG 0.0036 0.0004 0.0019 15373 ARG 22 CD 0.0035 0.0005 0.0018 15374 ARG 22 NE 0.0039 0.0006 0.0019 15375 ARG 22 CZ 0.0039 0.0007 0.0019 15376 ARG 22 NH1 0.0036 0.0007 0.0017 15377 ARG 22 NH2 0.0042 0.0008 0.0020 15378 ARG 22 H 0.0026 0.0002 0.0016 15379 ARG 22 HA 0.0031 0.0008 0.0015 15380 ARG 22 HB2 0.0031 0.0001 0.0018 15381 ARG 22 HB3 0.0033 0.0001 0.0019 15382 ARG 22 HG2 0.0038 0.0002 0.0020 15383 ARG 22 HG3 0.0037 0.0006 0.0018 15384 ARG 22 HD2 0.0034 0.0007 0.0017 15385 ARG 22 HD3 0.0034 0.0003 0.0019 15386 ARG 22 HE 0.0041 0.0005 0.0020 15387 ARG 22 HH11 0.0034 0.0007 0.0017 15388 ARG 22 HH12 0.0037 0.0008 0.0017 15389 ARG 22 HH21 0.0044 0.0007 0.0021 15390 ARG 22 HH22 0.0043 0.0009 0.0019 15391 ALA 23 N 0.0034 0.0009 0.0016 15392 ALA 23 CA 0.0035 0.0010 0.0015 15393 ALA 23 C 0.0039 0.0009 0.0017 15394 ALA 23 O 0.0041 0.0010 0.0018 15395 ALA 23 CB 0.0035 0.0014 0.0014 15396 ALA 23 H 0.0035 0.0010 0.0015 15397 ALA 23 HA 0.0033 0.0009 0.0015 15398 ALA 23 HB1 0.0037 0.0015 0.0014 15399 ALA 23 HB2 0.0033 0.0015 0.0012 15400 ALA 23 HB3 0.0036 0.0015 0.0014 15401 ILE 24 N 0.0039 0.0008 0.0018 15402 ILE 24 CA 0.0043 0.0007 0.0020 15403 ILE 24 C 0.0044 0.0008 0.0020 15404 ILE 24 O 0.0042 0.0008 0.0019 15405 ILE 24 CB 0.0043 0.0004 0.0022 15406 ILE 24 CG1 0.0040 0.0001 0.0022 15407 ILE 24 CG2 0.0044 0.0003 0.0022 15408 ILE 24 CD1 0.0040 -0.0002 0.0023 15409 ILE 24 H 0.0037 0.0008 0.0018 15410 ILE 24 HA 0.0045 0.0009 0.0020 15411 ILE 24 HB 0.0045 0.0003 0.0023 15412 ILE 24 HG12 0.0038 0.0001 0.0021 15413 ILE 24 HG13 0.0039 0.0002 0.0021 15414 ILE 24 HG21 0.0046 0.0004 0.0023 15415 ILE 24 HG22 0.0044 0.0000 0.0024 15416 ILE 24 HG23 0.0041 0.0004 0.0021 15417 ILE 24 HD11 0.0038 -0.0004 0.0023 15418 ILE 24 HD12 0.0041 -0.0003 0.0024 15419 ILE 24 HD13 0.0042 -0.0002 0.0024 15420 ARG 25 N 0.0018 0.0005 0.0006 15421 ARG 25 CA 0.0003 0.0004 -0.0006 15422 ARG 25 C -0.0009 0.0014 -0.0007 15423 ARG 25 O -0.0012 0.0009 -0.0013 15424 ARG 25 CB 0.0004 -0.0012 -0.0019 15425 ARG 25 CG 0.0015 -0.0023 -0.0020 15426 ARG 25 CD 0.0018 -0.0039 -0.0031 15427 ARG 25 NE 0.0028 -0.0049 -0.0032 15428 ARG 25 CZ 0.0037 -0.0063 -0.0037 15429 ARG 25 NH1 0.0039 -0.0069 -0.0041 15430 ARG 25 NH2 0.0045 -0.0071 -0.0038 15431 ARG 25 H 0.0023 0.0001 0.0006 15432 ARG 25 HA 0.0000 0.0008 -0.0005 15433 ARG 25 HB2 0.0009 -0.0017 -0.0019 15434 ARG 25 HB3 -0.0007 -0.0012 -0.0027 15435 ARG 25 HG2 0.0009 -0.0020 -0.0022 15436 ARG 25 HG3 0.0026 -0.0021 -0.0010 15437 ARG 25 HD2 0.0025 -0.0042 -0.0029 15438 ARG 25 HD3 0.0008 -0.0040 -0.0040 15439 ARG 25 HE 0.0027 -0.0045 -0.0030 15440 ARG 25 HH11 0.0033 -0.0063 -0.0040 15441 ARG 25 HH12 0.0046 -0.0080 -0.0045 15442 ARG 25 HH21 0.0044 -0.0067 -0.0036 15443 ARG 25 HH22 0.0053 -0.0082 -0.0042 15444 VAL 26 N -0.0017 0.0028 -0.0001 15445 VAL 26 CA -0.0029 0.0038 -0.0000 15446 VAL 26 C -0.0044 0.0036 -0.0014 15447 VAL 26 O -0.0051 0.0036 -0.0019 15448 VAL 26 CB -0.0033 0.0055 0.0011 15449 VAL 26 CG1 -0.0020 0.0059 0.0025 15450 VAL 26 CG2 -0.0034 0.0056 0.0011 15451 VAL 26 H -0.0014 0.0031 0.0004 15452 VAL 26 HA -0.0025 0.0037 0.0001 15453 VAL 26 HB -0.0044 0.0062 0.0009 15454 VAL 26 HG11 -0.0020 0.0069 0.0033 15455 VAL 26 HG12 -0.0008 0.0050 0.0026 15456 VAL 26 HG13 -0.0021 0.0062 0.0026 15457 VAL 26 HG21 -0.0038 0.0068 0.0018 15458 VAL 26 HG22 -0.0043 0.0052 0.0001 15459 VAL 26 HG23 -0.0023 0.0050 0.0014 15460 TYR 27 N -0.0049 0.0032 -0.0021 15461 TYR 27 CA -0.0064 0.0029 -0.0034 15462 TYR 27 C -0.0078 0.0044 -0.0032 15463 TYR 27 O -0.0078 0.0056 -0.0022 15464 TYR 27 CB -0.0063 0.0021 -0.0041 15465 TYR 27 CG -0.0054 0.0004 -0.0049 15466 TYR 27 CD1 -0.0038 -0.0002 -0.0042 15467 TYR 27 CD2 -0.0062 -0.0006 -0.0063 15468 TYR 27 CE1 -0.0030 -0.0017 -0.0049 15469 TYR 27 CE2 -0.0054 -0.0021 -0.0070 15470 TYR 27 CZ -0.0038 -0.0027 -0.0063 15471 TYR 27 OH -0.0030 -0.0042 -0.0070 15472 TYR 27 H -0.0043 0.0032 -0.0016 15473 TYR 27 HA -0.0064 0.0023 -0.0040 15474 TYR 27 HB2 -0.0058 0.0024 -0.0034 15475 TYR 27 HB3 -0.0075 0.0022 -0.0048 15476 TYR 27 HD1 -0.0032 0.0005 -0.0031 15477 TYR 27 HD2 -0.0074 -0.0001 -0.0068 15478 TYR 27 HE1 -0.0018 -0.0022 -0.0043 15479 TYR 27 HE2 -0.0060 -0.0028 -0.0080 15480 TYR 27 HH -0.0037 -0.0046 -0.0079 15481 MET 28 N -0.0091 0.0042 -0.0043 15482 MET 28 CA -0.0106 0.0055 -0.0043 15483 MET 28 C -0.0120 0.0052 -0.0057 15484 MET 28 O -0.0128 0.0048 -0.0066 15485 MET 28 CB -0.0110 0.0061 -0.0041 15486 MET 28 CG -0.0098 0.0067 -0.0028 15487 MET 28 SD -0.0103 0.0073 -0.0026 15488 MET 28 CE -0.0101 0.0057 -0.0038 15489 MET 28 H -0.0091 0.0033 -0.0052 15490 MET 28 HA -0.0105 0.0064 -0.0035 15491 MET 28 HB2 -0.0109 0.0052 -0.0049 15492 MET 28 HB3 -0.0121 0.0069 -0.0043 15493 MET 28 HG2 -0.0098 0.0076 -0.0020 15494 MET 28 HG3 -0.0087 0.0058 -0.0027 15495 MET 28 HE1 -0.0109 0.0052 -0.0048 15496 MET 28 HE2 -0.0089 0.0048 -0.0037 15497 MET 28 HE3 -0.0103 0.0059 -0.0038 15498 GLY 29 N -0.0121 0.0052 -0.0057 15499 GLY 29 CA -0.0133 0.0048 -0.0069 15500 GLY 29 C -0.0127 0.0035 -0.0076 15501 GLY 29 O -0.0113 0.0030 -0.0070 15502 GLY 29 H -0.0113 0.0054 -0.0050 15503 GLY 29 HA2 -0.0140 0.0058 -0.0067 15504 GLY 29 HA3 -0.0140 0.0047 -0.0076 15505 ASP 30 N -0.0136 0.0028 -0.0089 15506 ASP 30 CA -0.0132 0.0015 -0.0097 15507 ASP 30 C -0.0125 0.0000 -0.0104 15508 ASP 30 O -0.0117 -0.0012 -0.0109 15509 ASP 30 CB -0.0145 0.0014 -0.0108 15510 ASP 30 CG -0.0149 0.0025 -0.0101 15511 ASP 30 OD1 -0.0142 0.0021 -0.0100 15512 ASP 30 OD2 -0.0159 0.0038 -0.0098 15513 ASP 30 H -0.0147 0.0032 -0.0094 15514 ASP 30 HA -0.0122 0.0015 -0.0090 15515 ASP 30 HB2 -0.0156 0.0018 -0.0113 15516 ASP 30 HB3 -0.0143 0.0003 -0.0115 15517 SER 31 N -0.0153 -0.0006 -0.0123 15518 SER 31 CA -0.0146 -0.0023 -0.0126 15519 SER 31 C -0.0125 -0.0029 -0.0115 15520 SER 31 O -0.0117 -0.0018 -0.0104 15521 SER 31 CB -0.0153 -0.0017 -0.0129 15522 SER 31 OG -0.0166 0.0001 -0.0128 15523 SER 31 H -0.0158 0.0007 -0.0120 15524 SER 31 HA -0.0151 -0.0035 -0.0136 15525 SER 31 HB2 -0.0142 -0.0017 -0.0121 15526 SER 31 HB3 -0.0160 -0.0028 -0.0139 15527 SER 31 HG -0.0178 -0.0001 -0.0138 15528 ASP 32 N -0.0117 -0.0045 -0.0118 15529 ASP 32 CA -0.0098 -0.0053 -0.0108 15530 ASP 32 C -0.0090 -0.0042 -0.0097 15531 ASP 32 O -0.0076 -0.0050 -0.0091 15532 ASP 32 CB -0.0092 -0.0075 -0.0115 15533 ASP 32 CG -0.0072 -0.0084 -0.0106 15534 ASP 32 OD1 -0.0065 -0.0080 -0.0099 15535 ASP 32 OD2 -0.0064 -0.0096 -0.0106 15536 ASP 32 H -0.0125 -0.0053 -0.0127 15537 ASP 32 HA -0.0092 -0.0049 -0.0102 15538 ASP 32 HB2 -0.0100 -0.0082 -0.0124 15539 ASP 32 HB3 -0.0096 -0.0078 -0.0119 15540 VAL 33 N -0.0101 -0.0025 -0.0096 15541 VAL 33 CA -0.0095 -0.0013 -0.0086 15542 VAL 33 C -0.0082 -0.0002 -0.0071 15543 VAL 33 O -0.0086 0.0009 -0.0069 15544 VAL 33 CB -0.0111 0.0001 -0.0090 15545 VAL 33 CG1 -0.0124 0.0013 -0.0093 15546 VAL 33 CG2 -0.0105 0.0015 -0.0079 15547 VAL 33 H -0.0112 -0.0019 -0.0101 15548 VAL 33 HA -0.0088 -0.0023 -0.0086 15549 VAL 33 HB -0.0119 -0.0007 -0.0100 15550 VAL 33 HG11 -0.0136 0.0023 -0.0097 15551 VAL 33 HG12 -0.0117 0.0022 -0.0084 15552 VAL 33 HG13 -0.0129 0.0004 -0.0101 15553 VAL 33 HG21 -0.0116 0.0025 -0.0082 15554 VAL 33 HG22 -0.0098 0.0006 -0.0078 15555 VAL 33 HG23 -0.0096 0.0022 -0.0069 15556 TYR 34 N -0.0067 -0.0004 -0.0062 15557 TYR 34 CA -0.0054 0.0006 -0.0047 15558 TYR 34 C -0.0044 0.0010 -0.0038 15559 TYR 34 O -0.0043 0.0001 -0.0042 15560 TYR 34 CB -0.0040 -0.0007 -0.0045 15561 TYR 34 CG -0.0032 -0.0028 -0.0049 15562 TYR 34 CD1 -0.0018 -0.0031 -0.0041 15563 TYR 34 CD2 -0.0037 -0.0044 -0.0061 15564 TYR 34 CE1 -0.0010 -0.0050 -0.0045 15565 TYR 34 CE2 -0.0029 -0.0063 -0.0065 15566 TYR 34 CZ -0.0016 -0.0066 -0.0057 15567 TYR 34 OH -0.0008 -0.0084 -0.0061 15568 TYR 34 H -0.0065 -0.0012 -0.0065 15569 TYR 34 HA -0.0060 0.0019 -0.0045 15570 TYR 34 HB2 -0.0030 -0.0000 -0.0034 15571 TYR 34 HB3 -0.0047 -0.0009 -0.0050 15572 TYR 34 HD1 -0.0014 -0.0019 -0.0032 15573 TYR 34 HD2 -0.0048 -0.0042 -0.0067 15574 TYR 34 HE1 0.0000 -0.0052 -0.0039 15575 TYR 34 HE2 -0.0034 -0.0075 -0.0074 15576 TYR 34 HH -0.0017 -0.0091 -0.0071 15577 THR 35 N -0.0036 0.0025 -0.0025 15578 THR 35 CA -0.0025 0.0030 -0.0015 15579 THR 35 C -0.0005 0.0024 -0.0004 15580 THR 35 O 0.0000 0.0029 0.0002 15581 THR 35 CB -0.0031 0.0053 -0.0008 15582 THR 35 OG1 -0.0045 0.0062 -0.0013 15583 THR 35 CG2 -0.0037 0.0057 -0.0010 15584 THR 35 H -0.0037 0.0032 -0.0022 15585 THR 35 HA -0.0027 0.0023 -0.0020 15586 THR 35 HB -0.0019 0.0058 0.0003 15587 THR 35 HG1 -0.0051 0.0053 -0.0022 15588 THR 35 HG21 -0.0048 0.0050 -0.0021 15589 THR 35 HG22 -0.0026 0.0051 -0.0006 15590 THR 35 HG23 -0.0042 0.0072 -0.0005 15591 VAL 36 N 0.0005 0.0013 -0.0003 15592 VAL 36 CA 0.0025 0.0005 0.0007 15593 VAL 36 C 0.0035 0.0020 0.0022 15594 VAL 36 O 0.0038 0.0023 0.0026 15595 VAL 36 CB 0.0033 -0.0014 0.0003 15596 VAL 36 CG1 0.0051 -0.0025 0.0011 15597 VAL 36 CG2 0.0020 -0.0027 -0.0012 15598 VAL 36 H 0.0000 0.0009 -0.0008 15599 VAL 36 HA 0.0027 0.0002 0.0007 15600 VAL 36 HB 0.0035 -0.0010 0.0007 15601 VAL 36 HG11 0.0057 -0.0038 0.0008 15602 VAL 36 HG12 0.0049 -0.0029 0.0007 15603 VAL 36 HG13 0.0060 -0.0015 0.0022 15604 VAL 36 HG21 0.0008 -0.0020 -0.0017 15605 VAL 36 HG22 0.0017 -0.0030 -0.0016 15606 VAL 36 HG23 0.0026 -0.0041 -0.0015 15607 HIS 37 N 0.0039 0.0010 0.0016 15608 HIS 37 CA 0.0037 0.0008 0.0017 15609 HIS 37 C 0.0036 0.0007 0.0017 15610 HIS 37 O 0.0036 0.0008 0.0016 15611 HIS 37 CB 0.0038 0.0005 0.0017 15612 HIS 37 CG 0.0040 0.0005 0.0017 15613 HIS 37 ND1 0.0038 0.0006 0.0017 15614 HIS 37 CD2 0.0042 0.0004 0.0018 15615 HIS 37 CE1 0.0040 0.0006 0.0017 15616 HIS 37 NE2 0.0042 0.0005 0.0017 15617 HIS 37 H 0.0041 0.0009 0.0016 15618 HIS 37 HA 0.0036 0.0009 0.0016 15619 HIS 37 HB2 0.0040 0.0004 0.0018 15620 HIS 37 HB3 0.0036 0.0003 0.0018 15621 HIS 37 HD2 0.0044 0.0003 0.0018 15622 HIS 37 HE1 0.0040 0.0007 0.0017 15623 HIS 37 HE2 0.0044 0.0004 0.0018 15624 HIS 38 N 0.0033 0.0005 0.0017 15625 HIS 38 CA 0.0032 0.0005 0.0017 15626 HIS 38 C 0.0031 0.0002 0.0018 15627 HIS 38 O 0.0031 0.0000 0.0018 15628 HIS 38 CB 0.0029 0.0006 0.0017 15629 HIS 38 CG 0.0030 0.0009 0.0016 15630 HIS 38 ND1 0.0031 0.0010 0.0016 15631 HIS 38 CD2 0.0029 0.0012 0.0016 15632 HIS 38 CE1 0.0031 0.0013 0.0015 15633 HIS 38 NE2 0.0030 0.0014 0.0015 15634 HIS 38 H 0.0033 0.0004 0.0017 15635 HIS 38 HA 0.0033 0.0005 0.0017 15636 HIS 38 HB2 0.0028 0.0006 0.0017 15637 HIS 38 HB3 0.0028 0.0006 0.0017 15638 HIS 38 HD2 0.0028 0.0012 0.0016 15639 HIS 38 HE1 0.0032 0.0015 0.0015 15640 HIS 38 HE2 0.0031 0.0016 0.0015 15641 MET 39 N 0.0031 0.0000 0.0018 15642 MET 39 CA 0.0030 -0.0003 0.0019 15643 MET 39 C 0.0028 -0.0003 0.0019 15644 MET 39 O 0.0028 -0.0002 0.0019 15645 MET 39 CB 0.0032 -0.0005 0.0019 15646 MET 39 CG 0.0035 -0.0004 0.0019 15647 MET 39 SD 0.0037 -0.0007 0.0020 15648 MET 39 CE 0.0039 -0.0007 0.0020 15649 MET 39 H 0.0031 0.0001 0.0018 15650 MET 39 HA 0.0029 -0.0003 0.0019 15651 MET 39 HB2 0.0034 -0.0004 0.0019 15652 MET 39 HB3 0.0032 -0.0007 0.0020 15653 MET 39 HG2 0.0033 -0.0004 0.0019 15654 MET 39 HG3 0.0036 -0.0002 0.0019 15655 MET 39 HE1 0.0040 -0.0005 0.0020 15656 MET 39 HE2 0.0040 -0.0009 0.0020 15657 MET 39 HE3 0.0037 -0.0007 0.0020 15658 VAL 40 N 0.0026 -0.0005 0.0019 15659 VAL 40 CA 0.0024 -0.0006 0.0019 15660 VAL 40 C 0.0025 -0.0007 0.0020 15661 VAL 40 O 0.0026 -0.0010 0.0021 15662 VAL 40 CB 0.0021 -0.0007 0.0020 15663 VAL 40 CG1 0.0022 -0.0009 0.0020 15664 VAL 40 CG2 0.0019 -0.0008 0.0020 15665 VAL 40 H 0.0025 -0.0006 0.0020 15666 VAL 40 HA 0.0023 -0.0004 0.0019 15667 VAL 40 HB 0.0020 -0.0005 0.0019 15668 VAL 40 HG11 0.0021 -0.0011 0.0021 15669 VAL 40 HG12 0.0024 -0.0009 0.0020 15670 VAL 40 HG13 0.0020 -0.0009 0.0020 15671 VAL 40 HG21 0.0017 -0.0008 0.0020 15672 VAL 40 HG22 0.0019 -0.0007 0.0020 15673 VAL 40 HG23 0.0020 -0.0010 0.0020 15674 TRP 41 N 0.0026 -0.0006 0.0020 15675 TRP 41 CA 0.0028 -0.0007 0.0020 15676 TRP 41 C 0.0026 -0.0010 0.0020 15677 TRP 41 O 0.0027 -0.0012 0.0021 15678 TRP 41 CB 0.0029 -0.0005 0.0019 15679 TRP 41 CG 0.0032 -0.0006 0.0020 15680 TRP 41 CD1 0.0032 -0.0006 0.0020 15681 TRP 41 CD2 0.0034 -0.0007 0.0020 15682 TRP 41 NE1 0.0035 -0.0007 0.0020 15683 TRP 41 CE2 0.0036 -0.0007 0.0020 15684 TRP 41 CE3 0.0035 -0.0008 0.0020 15685 TRP 41 CZ2 0.0039 -0.0008 0.0020 15686 TRP 41 CZ3 0.0038 -0.0009 0.0020 15687 TRP 41 CH2 0.0040 -0.0009 0.0021 15688 TRP 41 H 0.0026 -0.0004 0.0019 15689 TRP 41 HA 0.0030 -0.0009 0.0020 15690 TRP 41 HB2 0.0029 -0.0003 0.0019 15691 TRP 41 HB3 0.0027 -0.0005 0.0019 15692 TRP 41 HD1 0.0031 -0.0005 0.0019 15693 TRP 41 HE1 0.0036 -0.0007 0.0020 15694 TRP 41 HE3 0.0033 -0.0007 0.0020 15695 TRP 41 HZ2 0.0041 -0.0009 0.0020 15696 TRP 41 HZ3 0.0038 -0.0009 0.0021 15697 TRP 41 HH2 0.0042 -0.0010 0.0021 15698 HIS 42 N 0.0023 -0.0009 0.0020 15699 HIS 42 CA 0.0021 -0.0011 0.0021 15700 HIS 42 C 0.0018 -0.0010 0.0020 15701 HIS 42 O 0.0018 -0.0007 0.0020 15702 HIS 42 CB 0.0022 -0.0010 0.0020 15703 HIS 42 CG 0.0021 -0.0013 0.0021 15704 HIS 42 ND1 0.0024 -0.0014 0.0021 15705 HIS 42 CD2 0.0019 -0.0014 0.0021 15706 HIS 42 CE1 0.0023 -0.0016 0.0022 15707 HIS 42 NE2 0.0020 -0.0017 0.0022 15708 HIS 42 H 0.0023 -0.0007 0.0020 15709 HIS 42 HA 0.0022 -0.0013 0.0021 15710 HIS 42 HB2 0.0024 -0.0009 0.0020 15711 HIS 42 HB3 0.0020 -0.0009 0.0020 15712 HIS 42 HD2 0.0017 -0.0014 0.0021 15713 HIS 42 HE1 0.0024 -0.0018 0.0022 15714 HIS 42 HE2 0.0018 -0.0018 0.0022 15715 VAL 43 N 0.0010 -0.0023 0.0005 15716 VAL 43 CA 0.0002 -0.0024 0.0001 15717 VAL 43 C -0.0006 -0.0027 -0.0005 15718 VAL 43 O -0.0006 -0.0035 -0.0007 15719 VAL 43 CB 0.0006 -0.0031 0.0001 15720 VAL 43 CG1 0.0010 -0.0042 0.0000 15721 VAL 43 CG2 -0.0002 -0.0033 -0.0004 15722 VAL 43 H 0.0012 -0.0029 0.0005 15723 VAL 43 HA 0.0000 -0.0016 0.0002 15724 VAL 43 HB 0.0011 -0.0028 0.0005 15725 VAL 43 HG11 0.0006 -0.0045 -0.0003 15726 VAL 43 HG12 0.0017 -0.0041 0.0005 15727 VAL 43 HG13 0.0012 -0.0047 -0.0000 15728 VAL 43 HG21 -0.0005 -0.0025 -0.0004 15729 VAL 43 HG22 -0.0007 -0.0037 -0.0009 15730 VAL 43 HG23 0.0001 -0.0037 -0.0004 15731 GLU 44 N -0.0015 -0.0021 -0.0009 15732 GLU 44 CA -0.0024 -0.0023 -0.0014 15733 GLU 44 C -0.0027 -0.0034 -0.0019 15734 GLU 44 O -0.0029 -0.0035 -0.0021 15735 GLU 44 CB -0.0031 -0.0014 -0.0016 15736 GLU 44 CG -0.0031 -0.0004 -0.0013 15737 GLU 44 CD -0.0039 0.0005 -0.0015 15738 GLU 44 OE1 -0.0037 0.0011 -0.0013 15739 GLU 44 OE2 -0.0046 0.0006 -0.0020 15740 GLU 44 H -0.0015 -0.0016 -0.0007 15741 GLU 44 HA -0.0023 -0.0024 -0.0014 15742 GLU 44 HB2 -0.0030 -0.0012 -0.0015 15743 GLU 44 HB3 -0.0038 -0.0016 -0.0021 15744 GLU 44 HG2 -0.0031 -0.0006 -0.0014 15745 GLU 44 HG3 -0.0024 -0.0001 -0.0008 15746 ASP 45 N -0.0027 -0.0041 -0.0022 15747 ASP 45 CA -0.0030 -0.0051 -0.0026 15748 ASP 45 C -0.0041 -0.0051 -0.0033 15749 ASP 45 O -0.0045 -0.0058 -0.0037 15750 ASP 45 CB -0.0025 -0.0060 -0.0026 15751 ASP 45 CG -0.0028 -0.0057 -0.0027 15752 ASP 45 OD1 -0.0026 -0.0048 -0.0023 15753 ASP 45 OD2 -0.0032 -0.0063 -0.0031 15754 ASP 45 H -0.0025 -0.0039 -0.0020 15755 ASP 45 HA -0.0027 -0.0054 -0.0025 15756 ASP 45 HB2 -0.0028 -0.0067 -0.0030 15757 ASP 45 HB3 -0.0018 -0.0061 -0.0022 15758 GLY 46 N -0.0045 -0.0042 -0.0033 15759 GLY 46 CA -0.0056 -0.0040 -0.0038 15760 GLY 46 C -0.0060 -0.0042 -0.0041 15761 GLY 46 O -0.0068 -0.0044 -0.0047 15762 GLY 46 H -0.0042 -0.0036 -0.0029 15763 GLY 46 HA2 -0.0058 -0.0046 -0.0042 15764 GLY 46 HA3 -0.0058 -0.0032 -0.0038 15765 GLY 47 N -0.0054 -0.0040 -0.0038 15766 GLY 47 CA -0.0058 -0.0041 -0.0040 15767 GLY 47 C -0.0051 -0.0039 -0.0036 15768 GLY 47 O -0.0050 -0.0046 -0.0036 15769 GLY 47 H -0.0048 -0.0038 -0.0033 15770 GLY 47 HA2 -0.0060 -0.0049 -0.0043 15771 GLY 47 HA3 -0.0065 -0.0036 -0.0043 15772 PRO 48 N -0.0048 -0.0030 -0.0031 15773 PRO 48 CA -0.0041 -0.0027 -0.0026 15774 PRO 48 C -0.0032 -0.0035 -0.0023 15775 PRO 48 O -0.0032 -0.0044 -0.0025 15776 PRO 48 CB -0.0039 -0.0016 -0.0022 15777 PRO 48 CG -0.0048 -0.0012 -0.0026 15778 PRO 48 CD -0.0050 -0.0021 -0.0030 15779 PRO 48 HA -0.0045 -0.0026 -0.0028 15780 PRO 48 HB2 -0.0033 -0.0017 -0.0018 15781 PRO 48 HB3 -0.0038 -0.0011 -0.0020 15782 PRO 48 HG2 -0.0046 -0.0006 -0.0023 15783 PRO 48 HG3 -0.0053 -0.0009 -0.0028 15784 PRO 48 HD2 -0.0046 -0.0022 -0.0027 15785 PRO 48 HD3 -0.0058 -0.0020 -0.0034 15786 ALA 49 N -0.0023 -0.0021 -0.0018 15787 ALA 49 CA -0.0014 -0.0026 -0.0015 15788 ALA 49 C -0.0012 -0.0036 -0.0017 15789 ALA 49 O -0.0008 -0.0043 -0.0018 15790 ALA 49 CB -0.0008 -0.0020 -0.0009 15791 ALA 49 H -0.0024 -0.0014 -0.0016 15792 ALA 49 HA -0.0013 -0.0028 -0.0015 15793 ALA 49 HB1 -0.0003 -0.0019 -0.0006 15794 ALA 49 HB2 -0.0004 -0.0023 -0.0008 15795 ALA 49 HB3 -0.0012 -0.0013 -0.0008 15796 SER 50 N -0.0015 -0.0037 -0.0020 15797 SER 50 CA -0.0013 -0.0046 -0.0022 15798 SER 50 C -0.0017 -0.0054 -0.0027 15799 SER 50 O -0.0011 -0.0061 -0.0027 15800 SER 50 CB -0.0017 -0.0044 -0.0024 15801 SER 50 OG -0.0010 -0.0043 -0.0019 15802 SER 50 H -0.0019 -0.0031 -0.0020 15803 SER 50 HA -0.0006 -0.0048 -0.0019 15804 SER 50 HB2 -0.0022 -0.0038 -0.0024 15805 SER 50 HB3 -0.0020 -0.0050 -0.0028 15806 SER 50 HG -0.0004 -0.0045 -0.0017 15807 GLU 51 N -0.0025 -0.0053 -0.0032 15808 GLU 51 CA -0.0030 -0.0060 -0.0037 15809 GLU 51 C -0.0027 -0.0062 -0.0036 15810 GLU 51 O -0.0027 -0.0070 -0.0039 15811 GLU 51 CB -0.0040 -0.0058 -0.0042 15812 GLU 51 CG -0.0044 -0.0056 -0.0043 15813 GLU 51 CD -0.0048 -0.0063 -0.0049 15814 GLU 51 OE1 -0.0044 -0.0071 -0.0049 15815 GLU 51 OE2 -0.0057 -0.0063 -0.0053 15816 GLU 51 H -0.0029 -0.0047 -0.0031 15817 GLU 51 HA -0.0028 -0.0067 -0.0038 15818 GLU 51 HB2 -0.0042 -0.0051 -0.0040 15819 GLU 51 HB3 -0.0043 -0.0063 -0.0046 15820 GLU 51 HG2 -0.0038 -0.0055 -0.0040 15821 GLU 51 HG3 -0.0048 -0.0049 -0.0043 15822 ALA 52 N -0.0024 -0.0055 -0.0031 15823 ALA 52 CA -0.0020 -0.0056 -0.0030 15824 ALA 52 C -0.0011 -0.0063 -0.0028 15825 ALA 52 O -0.0009 -0.0067 -0.0028 15826 ALA 52 CB -0.0019 -0.0046 -0.0025 15827 ALA 52 H -0.0024 -0.0049 -0.0029 15828 ALA 52 HA -0.0025 -0.0059 -0.0034 15829 ALA 52 HB1 -0.0026 -0.0042 -0.0028 15830 ALA 52 HB2 -0.0015 -0.0047 -0.0023 15831 ALA 52 HB3 -0.0016 -0.0042 -0.0022 15832 GLY 53 N -0.0006 -0.0064 -0.0025 15833 GLY 53 CA 0.0002 -0.0071 -0.0023 15834 GLY 53 C 0.0010 -0.0067 -0.0017 15835 GLY 53 O 0.0017 -0.0072 -0.0015 15836 GLY 53 H -0.0009 -0.0061 -0.0025 15837 GLY 53 HA2 0.0001 -0.0077 -0.0026 15838 GLY 53 HA3 0.0005 -0.0072 -0.0022 15839 LEU 54 N 0.0008 -0.0057 -0.0015 15840 LEU 54 CA 0.0014 -0.0052 -0.0009 15841 LEU 54 C 0.0015 -0.0055 -0.0010 15842 LEU 54 O 0.0008 -0.0053 -0.0013 15843 LEU 54 CB 0.0012 -0.0041 -0.0006 15844 LEU 54 CG 0.0019 -0.0036 0.0000 15845 LEU 54 CD1 0.0016 -0.0025 0.0003 15846 LEU 54 CD2 0.0022 -0.0036 0.0001 15847 LEU 54 H 0.0002 -0.0053 -0.0016 15848 LEU 54 HA 0.0021 -0.0055 -0.0006 15849 LEU 54 HB2 0.0009 -0.0040 -0.0007 15850 LEU 54 HB3 0.0006 -0.0039 -0.0008 15851 LEU 54 HG 0.0025 -0.0039 0.0002 15852 LEU 54 HD11 0.0015 -0.0025 0.0002 15853 LEU 54 HD12 0.0022 -0.0022 0.0007 15854 LEU 54 HD13 0.0010 -0.0022 0.0001 15855 LEU 54 HD21 0.0027 -0.0032 0.0006 15856 LEU 54 HD22 0.0024 -0.0044 0.0000 15857 LEU 54 HD23 0.0016 -0.0034 -0.0001 15858 ARG 55 N 0.0018 -0.0025 0.0019 15859 ARG 55 CA 0.0018 -0.0027 0.0018 15860 ARG 55 C 0.0019 -0.0027 0.0018 15861 ARG 55 O 0.0020 -0.0026 0.0017 15862 ARG 55 CB 0.0019 -0.0027 0.0017 15863 ARG 55 CG 0.0020 -0.0026 0.0017 15864 ARG 55 CD 0.0021 -0.0025 0.0016 15865 ARG 55 NE 0.0022 -0.0026 0.0015 15866 ARG 55 CZ 0.0023 -0.0026 0.0014 15867 ARG 55 NH1 0.0024 -0.0024 0.0014 15868 ARG 55 NH2 0.0024 -0.0027 0.0013 15869 ARG 55 H 0.0019 -0.0025 0.0019 15870 ARG 55 HA 0.0017 -0.0028 0.0019 15871 ARG 55 HB2 0.0020 -0.0028 0.0017 15872 ARG 55 HB3 0.0019 -0.0028 0.0018 15873 ARG 55 HG2 0.0020 -0.0026 0.0017 15874 ARG 55 HG3 0.0020 -0.0025 0.0018 15875 ARG 55 HD2 0.0022 -0.0024 0.0016 15876 ARG 55 HD3 0.0021 -0.0025 0.0017 15877 ARG 55 HE 0.0022 -0.0027 0.0015 15878 ARG 55 HH11 0.0023 -0.0024 0.0015 15879 ARG 55 HH12 0.0025 -0.0024 0.0014 15880 ARG 55 HH21 0.0024 -0.0028 0.0013 15881 ARG 55 HH22 0.0025 -0.0026 0.0013 15882 GLN 56 N 0.0018 -0.0028 0.0018 15883 GLN 56 CA 0.0019 -0.0028 0.0017 15884 GLN 56 C 0.0020 -0.0028 0.0016 15885 GLN 56 O 0.0021 -0.0029 0.0015 15886 GLN 56 CB 0.0018 -0.0030 0.0017 15887 GLN 56 CG 0.0018 -0.0030 0.0017 15888 GLN 56 CD 0.0017 -0.0031 0.0017 15889 GLN 56 OE1 0.0016 -0.0031 0.0018 15890 GLN 56 NE2 0.0018 -0.0032 0.0017 15891 GLN 56 H 0.0018 -0.0029 0.0018 15892 GLN 56 HA 0.0019 -0.0028 0.0018 15893 GLN 56 HB2 0.0017 -0.0030 0.0018 15894 GLN 56 HB3 0.0018 -0.0031 0.0017 15895 GLN 56 HG2 0.0019 -0.0031 0.0016 15896 GLN 56 HG3 0.0019 -0.0029 0.0017 15897 GLN 56 HE21 0.0019 -0.0032 0.0016 15898 GLN 56 HE22 0.0017 -0.0033 0.0017 15899 GLY 57 N 0.0021 -0.0028 0.0016 15900 GLY 57 CA 0.0022 -0.0028 0.0015 15901 GLY 57 C 0.0023 -0.0026 0.0014 15902 GLY 57 O 0.0024 -0.0026 0.0014 15903 GLY 57 H 0.0021 -0.0027 0.0016 15904 GLY 57 HA2 0.0023 -0.0027 0.0014 15905 GLY 57 HA3 0.0022 -0.0029 0.0014 15906 ASP 58 N 0.0023 -0.0025 0.0015 15907 ASP 58 CA 0.0024 -0.0023 0.0015 15908 ASP 58 C 0.0024 -0.0022 0.0015 15909 ASP 58 O 0.0024 -0.0022 0.0016 15910 ASP 58 CB 0.0023 -0.0023 0.0016 15911 ASP 58 CG 0.0023 -0.0022 0.0016 15912 ASP 58 OD1 0.0025 -0.0021 0.0015 15913 ASP 58 OD2 0.0023 -0.0022 0.0016 15914 ASP 58 H 0.0022 -0.0025 0.0016 15915 ASP 58 HA 0.0024 -0.0024 0.0014 15916 ASP 58 HB2 0.0022 -0.0024 0.0016 15917 ASP 58 HB3 0.0022 -0.0022 0.0017 15918 LEU 59 N 0.0025 -0.0021 0.0015 15919 LEU 59 CA 0.0026 -0.0020 0.0015 15920 LEU 59 C 0.0025 -0.0018 0.0016 15921 LEU 59 O 0.0025 -0.0018 0.0016 15922 LEU 59 CB 0.0027 -0.0019 0.0014 15923 LEU 59 CG 0.0028 -0.0018 0.0014 15924 LEU 59 CD1 0.0028 -0.0018 0.0014 15925 LEU 59 CD2 0.0029 -0.0018 0.0013 15926 LEU 59 H 0.0025 -0.0021 0.0015 15927 LEU 59 HA 0.0025 -0.0020 0.0015 15928 LEU 59 HB2 0.0027 -0.0020 0.0013 15929 LEU 59 HB3 0.0027 -0.0020 0.0013 15930 LEU 59 HG 0.0027 -0.0017 0.0014 15931 LEU 59 HD11 0.0027 -0.0018 0.0015 15932 LEU 59 HD12 0.0028 -0.0017 0.0014 15933 LEU 59 HD13 0.0028 -0.0019 0.0013 15934 LEU 59 HD21 0.0030 -0.0018 0.0012 15935 LEU 59 HD22 0.0030 -0.0016 0.0013 15936 LEU 59 HD23 0.0029 -0.0017 0.0013 15937 ILE 60 N 0.0025 -0.0018 0.0016 15938 ILE 60 CA 0.0024 -0.0016 0.0017 15939 ILE 60 C 0.0025 -0.0015 0.0017 15940 ILE 60 O 0.0026 -0.0014 0.0017 15941 ILE 60 CB 0.0023 -0.0016 0.0018 15942 ILE 60 CG1 0.0022 -0.0017 0.0019 15943 ILE 60 CG2 0.0023 -0.0014 0.0019 15944 ILE 60 CD1 0.0022 -0.0019 0.0018 15945 ILE 60 H 0.0025 -0.0018 0.0016 15946 ILE 60 HA 0.0024 -0.0016 0.0018 15947 ILE 60 HB 0.0024 -0.0016 0.0018 15948 ILE 60 HG12 0.0021 -0.0017 0.0020 15949 ILE 60 HG13 0.0022 -0.0017 0.0019 15950 ILE 60 HG21 0.0022 -0.0014 0.0020 15951 ILE 60 HG22 0.0023 -0.0014 0.0020 15952 ILE 60 HG23 0.0024 -0.0013 0.0019 15953 ILE 60 HD11 0.0022 -0.0019 0.0018 15954 ILE 60 HD12 0.0023 -0.0019 0.0017 15955 ILE 60 HD13 0.0021 -0.0020 0.0019 15956 THR 61 N 0.0038 -0.0019 0.0028 15957 THR 61 CA 0.0042 -0.0020 0.0031 15958 THR 61 C 0.0040 -0.0018 0.0030 15959 THR 61 O 0.0042 -0.0016 0.0033 15960 THR 61 CB 0.0044 -0.0027 0.0031 15961 THR 61 OG1 0.0041 -0.0029 0.0027 15962 THR 61 CG2 0.0045 -0.0029 0.0032 15963 THR 61 H 0.0037 -0.0022 0.0026 15964 THR 61 HA 0.0044 -0.0018 0.0034 15965 THR 61 HB 0.0046 -0.0027 0.0033 15966 THR 61 HG1 0.0041 -0.0029 0.0027 15967 THR 61 HG21 0.0043 -0.0029 0.0029 15968 THR 61 HG22 0.0047 -0.0027 0.0035 15969 THR 61 HG23 0.0047 -0.0033 0.0032 15970 HIS 62 N 0.0036 -0.0018 0.0026 15971 HIS 62 CA 0.0034 -0.0017 0.0025 15972 HIS 62 C 0.0029 -0.0014 0.0021 15973 HIS 62 O 0.0028 -0.0015 0.0019 15974 HIS 62 CB 0.0035 -0.0021 0.0024 15975 HIS 62 CG 0.0039 -0.0024 0.0027 15976 HIS 62 ND1 0.0041 -0.0028 0.0028 15977 HIS 62 CD2 0.0042 -0.0022 0.0030 15978 HIS 62 CE1 0.0045 -0.0030 0.0031 15979 HIS 62 NE2 0.0045 -0.0026 0.0033 15980 HIS 62 H 0.0035 -0.0020 0.0024 15981 HIS 62 HA 0.0035 -0.0013 0.0028 15982 HIS 62 HB2 0.0033 -0.0024 0.0021 15983 HIS 62 HB3 0.0033 -0.0020 0.0023 15984 HIS 62 HD2 0.0041 -0.0019 0.0031 15985 HIS 62 HE1 0.0048 -0.0033 0.0033 15986 HIS 62 HE2 0.0048 -0.0027 0.0035 15987 VAL 63 N 0.0028 -0.0011 0.0021 15988 VAL 63 CA 0.0023 -0.0009 0.0017 15989 VAL 63 C 0.0021 -0.0008 0.0015 15990 VAL 63 O 0.0023 -0.0006 0.0018 15991 VAL 63 CB 0.0022 -0.0003 0.0018 15992 VAL 63 CG1 0.0024 0.0001 0.0022 15993 VAL 63 CG2 0.0017 -0.0001 0.0014 15994 VAL 63 H 0.0029 -0.0010 0.0022 15995 VAL 63 HA 0.0022 -0.0011 0.0015 15996 VAL 63 HB 0.0023 -0.0003 0.0019 15997 VAL 63 HG11 0.0027 -0.0001 0.0024 15998 VAL 63 HG12 0.0023 0.0005 0.0022 15999 VAL 63 HG13 0.0023 0.0002 0.0021 16000 VAL 63 HG21 0.0017 0.0004 0.0015 16001 VAL 63 HG22 0.0016 -0.0002 0.0012 16002 VAL 63 HG23 0.0016 -0.0002 0.0012 16003 ASN 64 N 0.0019 -0.0012 0.0012 16004 ASN 64 CA 0.0017 -0.0012 0.0010 16005 ASN 64 C 0.0020 -0.0014 0.0012 16006 ASN 64 O 0.0020 -0.0012 0.0012 16007 ASN 64 CB 0.0014 -0.0006 0.0009 16008 ASN 64 CG 0.0010 -0.0006 0.0004 16009 ASN 64 OD1 0.0008 -0.0009 0.0002 16010 ASN 64 ND2 0.0007 -0.0003 0.0003 16011 ASN 64 H 0.0018 -0.0014 0.0010 16012 ASN 64 HA 0.0015 -0.0015 0.0007 16013 ASN 64 HB2 0.0015 -0.0003 0.0011 16014 ASN 64 HB3 0.0015 -0.0005 0.0010 16015 ASN 64 HD21 0.0009 -0.0001 0.0005 16016 ASN 64 HD22 0.0004 -0.0003 0.0000 16017 GLY 65 N 0.0024 -0.0017 0.0014 16018 GLY 65 CA 0.0027 -0.0019 0.0017 16019 GLY 65 C 0.0029 -0.0014 0.0021 16020 GLY 65 O 0.0030 -0.0013 0.0022 16021 GLY 65 H 0.0024 -0.0018 0.0014 16022 GLY 65 HA2 0.0029 -0.0022 0.0018 16023 GLY 65 HA3 0.0026 -0.0020 0.0015 16024 GLU 66 N 0.0030 -0.0011 0.0023 16025 GLU 66 CA 0.0032 -0.0007 0.0026 16026 GLU 66 C 0.0034 -0.0006 0.0029 16027 GLU 66 O 0.0033 -0.0004 0.0028 16028 GLU 66 CB 0.0028 -0.0002 0.0025 16029 GLU 66 CG 0.0029 0.0002 0.0028 16030 GLU 66 CD 0.0030 -0.0000 0.0028 16031 GLU 66 OE1 0.0028 -0.0001 0.0025 16032 GLU 66 OE2 0.0034 -0.0001 0.0031 16033 GLU 66 H 0.0029 -0.0012 0.0022 16034 GLU 66 HA 0.0034 -0.0008 0.0028 16035 GLU 66 HB2 0.0026 -0.0003 0.0022 16036 GLU 66 HB3 0.0028 0.0000 0.0025 16037 GLU 66 HG2 0.0027 0.0006 0.0026 16038 GLU 66 HG3 0.0032 0.0004 0.0031 16039 PRO 67 N 0.0041 0.0006 0.0023 16040 PRO 67 CA 0.0043 0.0005 0.0023 16041 PRO 67 C 0.0042 0.0006 0.0023 16042 PRO 67 O 0.0042 0.0008 0.0024 16043 PRO 67 CB 0.0046 0.0006 0.0024 16044 PRO 67 CG 0.0046 0.0006 0.0024 16045 PRO 67 CD 0.0043 0.0006 0.0024 16046 PRO 67 HA 0.0044 0.0003 0.0022 16047 PRO 67 HB2 0.0046 0.0008 0.0025 16048 PRO 67 HB3 0.0048 0.0005 0.0024 16049 PRO 67 HG2 0.0047 0.0008 0.0025 16050 PRO 67 HG3 0.0047 0.0004 0.0023 16051 PRO 67 HD2 0.0042 0.0008 0.0024 16052 PRO 67 HD3 0.0042 0.0004 0.0023 16053 VAL 68 N 0.0042 0.0004 0.0023 16054 VAL 68 CA 0.0041 0.0005 0.0023 16055 VAL 68 C 0.0044 0.0006 0.0023 16056 VAL 68 O 0.0044 0.0007 0.0024 16057 VAL 68 CB 0.0040 0.0002 0.0022 16058 VAL 68 CG1 0.0037 0.0002 0.0021 16059 VAL 68 CG2 0.0042 -0.0000 0.0021 16060 VAL 68 H 0.0043 0.0002 0.0022 16061 VAL 68 HA 0.0040 0.0007 0.0023 16062 VAL 68 HB 0.0039 0.0003 0.0022 16063 VAL 68 HG11 0.0037 0.0001 0.0021 16064 VAL 68 HG12 0.0035 0.0004 0.0022 16065 VAL 68 HG13 0.0036 0.0000 0.0020 16066 VAL 68 HG21 0.0044 0.0000 0.0021 16067 VAL 68 HG22 0.0042 -0.0001 0.0021 16068 VAL 68 HG23 0.0040 -0.0002 0.0020 16069 HIS 69 N 0.0046 0.0005 0.0024 16070 HIS 69 CA 0.0049 0.0005 0.0024 16071 HIS 69 C 0.0050 0.0008 0.0025 16072 HIS 69 O 0.0050 0.0010 0.0026 16073 HIS 69 CB 0.0052 0.0004 0.0024 16074 HIS 69 CG 0.0052 0.0001 0.0023 16075 HIS 69 ND1 0.0055 0.0000 0.0023 16076 HIS 69 CD2 0.0051 -0.0001 0.0022 16077 HIS 69 CE1 0.0055 -0.0003 0.0021 16078 HIS 69 NE2 0.0052 -0.0003 0.0021 16079 HIS 69 H 0.0046 0.0004 0.0023 16080 HIS 69 HA 0.0050 0.0004 0.0024 16081 HIS 69 HB2 0.0051 0.0005 0.0024 16082 HIS 69 HB3 0.0054 0.0005 0.0025 16083 HIS 69 HD2 0.0048 -0.0001 0.0021 16084 HIS 69 HE1 0.0056 -0.0004 0.0021 16085 HIS 69 HE2 0.0052 -0.0005 0.0020 16086 GLY 70 N 0.0049 0.0009 0.0026 16087 GLY 70 CA 0.0050 0.0012 0.0027 16088 GLY 70 C 0.0046 0.0013 0.0027 16089 GLY 70 O 0.0046 0.0016 0.0028 16090 GLY 70 H 0.0049 0.0008 0.0025 16091 GLY 70 HA2 0.0051 0.0012 0.0027 16092 GLY 70 HA3 0.0050 0.0013 0.0028 16093 LEU 71 N 0.0044 0.0012 0.0026 16094 LEU 71 CA 0.0041 0.0013 0.0026 16095 LEU 71 C 0.0040 0.0013 0.0026 16096 LEU 71 O 0.0041 0.0011 0.0025 16097 LEU 71 CB 0.0039 0.0012 0.0025 16098 LEU 71 CG 0.0038 0.0012 0.0026 16099 LEU 71 CD1 0.0036 0.0011 0.0025 16100 LEU 71 CD2 0.0038 0.0015 0.0027 16101 LEU 71 H 0.0044 0.0010 0.0025 16102 LEU 71 HA 0.0041 0.0015 0.0027 16103 LEU 71 HB2 0.0039 0.0009 0.0024 16104 LEU 71 HB3 0.0036 0.0012 0.0025 16105 LEU 71 HG 0.0040 0.0011 0.0025 16106 LEU 71 HD11 0.0036 0.0011 0.0025 16107 LEU 71 HD12 0.0034 0.0012 0.0025 16108 LEU 71 HD13 0.0036 0.0009 0.0024 16109 LEU 71 HD21 0.0041 0.0016 0.0028 16110 LEU 71 HD22 0.0037 0.0016 0.0027 16111 LEU 71 HD23 0.0038 0.0016 0.0027 16112 VAL 72 N 0.0039 0.0015 0.0027 16113 VAL 72 CA 0.0038 0.0015 0.0027 16114 VAL 72 C 0.0035 0.0013 0.0026 16115 VAL 72 O 0.0034 0.0013 0.0025 16116 VAL 72 CB 0.0038 0.0018 0.0028 16117 VAL 72 CG1 0.0035 0.0019 0.0028 16118 VAL 72 CG2 0.0039 0.0018 0.0028 16119 VAL 72 H 0.0038 0.0017 0.0028 16120 VAL 72 HA 0.0040 0.0014 0.0027 16121 VAL 72 HB 0.0039 0.0019 0.0029 16122 VAL 72 HG11 0.0034 0.0021 0.0029 16123 VAL 72 HG12 0.0033 0.0018 0.0027 16124 VAL 72 HG13 0.0034 0.0019 0.0028 16125 VAL 72 HG21 0.0038 0.0017 0.0027 16126 VAL 72 HG22 0.0039 0.0020 0.0029 16127 VAL 72 HG23 0.0041 0.0017 0.0028 16128 HIS 73 N 0.0038 0.0025 0.0018 16129 HIS 73 CA 0.0034 0.0022 0.0017 16130 HIS 73 C 0.0029 0.0024 0.0017 16131 HIS 73 O 0.0026 0.0021 0.0016 16132 HIS 73 CB 0.0034 0.0022 0.0017 16133 HIS 73 CG 0.0031 0.0018 0.0016 16134 HIS 73 ND1 0.0032 0.0013 0.0015 16135 HIS 73 CD2 0.0026 0.0018 0.0016 16136 HIS 73 CE1 0.0029 0.0010 0.0014 16137 HIS 73 NE2 0.0025 0.0013 0.0015 16138 HIS 73 H 0.0041 0.0026 0.0018 16139 HIS 73 HA 0.0035 0.0018 0.0016 16140 HIS 73 HB2 0.0038 0.0022 0.0017 16141 HIS 73 HB3 0.0032 0.0025 0.0018 16142 HIS 73 HD1 0.0036 0.0011 0.0015 16143 HIS 73 HD2 0.0024 0.0021 0.0016 16144 HIS 73 HE1 0.0029 0.0006 0.0013 16145 THR 74 N 0.0028 0.0029 0.0018 16146 THR 74 CA 0.0023 0.0031 0.0018 16147 THR 74 C 0.0022 0.0032 0.0018 16148 THR 74 O 0.0017 0.0032 0.0018 16149 THR 74 CB 0.0022 0.0036 0.0019 16150 THR 74 OG1 0.0026 0.0040 0.0020 16151 THR 74 CG2 0.0024 0.0035 0.0019 16152 THR 74 H 0.0030 0.0031 0.0019 16153 THR 74 HA 0.0020 0.0028 0.0017 16154 THR 74 HB 0.0018 0.0037 0.0019 16155 THR 74 HG1 0.0023 0.0042 0.0020 16156 THR 74 HG21 0.0021 0.0033 0.0018 16157 THR 74 HG22 0.0024 0.0039 0.0020 16158 THR 74 HG23 0.0027 0.0033 0.0019 16159 GLU 75 N 0.0026 0.0032 0.0019 16160 GLU 75 CA 0.0026 0.0033 0.0019 16161 GLU 75 C 0.0023 0.0028 0.0018 16162 GLU 75 O 0.0020 0.0029 0.0018 16163 GLU 75 CB 0.0031 0.0034 0.0019 16164 GLU 75 CG 0.0033 0.0040 0.0021 16165 GLU 75 CD 0.0038 0.0041 0.0021 16166 GLU 75 OE1 0.0042 0.0040 0.0021 16167 GLU 75 OE2 0.0038 0.0043 0.0022 16168 GLU 75 H 0.0030 0.0031 0.0019 16169 GLU 75 HA 0.0023 0.0036 0.0019 16170 GLU 75 HB2 0.0034 0.0032 0.0019 16171 GLU 75 HB3 0.0031 0.0033 0.0019 16172 GLU 75 HG2 0.0030 0.0042 0.0021 16173 GLU 75 HG3 0.0032 0.0041 0.0021 16174 VAL 76 N 0.0025 0.0024 0.0017 16175 VAL 76 CA 0.0022 0.0019 0.0016 16176 VAL 76 C 0.0016 0.0019 0.0015 16177 VAL 76 O 0.0013 0.0018 0.0015 16178 VAL 76 CB 0.0025 0.0014 0.0015 16179 VAL 76 CG1 0.0030 0.0013 0.0015 16180 VAL 76 CG2 0.0026 0.0013 0.0015 16181 VAL 76 H 0.0027 0.0023 0.0017 16182 VAL 76 HA 0.0023 0.0020 0.0016 16183 VAL 76 HB 0.0022 0.0011 0.0014 16184 VAL 76 HG11 0.0033 0.0016 0.0016 16185 VAL 76 HG12 0.0029 0.0013 0.0015 16186 VAL 76 HG13 0.0032 0.0010 0.0014 16187 VAL 76 HG21 0.0026 0.0017 0.0016 16188 VAL 76 HG22 0.0030 0.0012 0.0015 16189 VAL 76 HG23 0.0023 0.0011 0.0014 16190 VAL 77 N 0.0015 0.0020 0.0015 16191 VAL 77 CA 0.0010 0.0020 0.0015 16192 VAL 77 C 0.0007 0.0024 0.0016 16193 VAL 77 O 0.0002 0.0022 0.0015 16194 VAL 77 CB 0.0010 0.0021 0.0015 16195 VAL 77 CG1 0.0004 0.0021 0.0015 16196 VAL 77 CG2 0.0013 0.0018 0.0015 16197 VAL 77 H 0.0018 0.0020 0.0016 16198 VAL 77 HA 0.0008 0.0016 0.0014 16199 VAL 77 HB 0.0011 0.0025 0.0016 16200 VAL 77 HG11 0.0004 0.0023 0.0015 16201 VAL 77 HG12 0.0003 0.0017 0.0014 16202 VAL 77 HG13 0.0002 0.0024 0.0015 16203 VAL 77 HG21 0.0017 0.0019 0.0015 16204 VAL 77 HG22 0.0013 0.0014 0.0014 16205 VAL 77 HG23 0.0012 0.0018 0.0015 16206 GLU 78 N 0.0009 0.0028 0.0017 16207 GLU 78 CA 0.0006 0.0032 0.0017 16208 GLU 78 C 0.0006 0.0031 0.0017 16209 GLU 78 O 0.0001 0.0031 0.0017 16210 GLU 78 CB 0.0009 0.0037 0.0019 16211 GLU 78 CG 0.0008 0.0040 0.0019 16212 GLU 78 CD 0.0011 0.0045 0.0020 16213 GLU 78 OE1 0.0011 0.0048 0.0021 16214 GLU 78 OE2 0.0012 0.0047 0.0021 16215 GLU 78 H 0.0012 0.0029 0.0017 16216 GLU 78 HA 0.0002 0.0033 0.0017 16217 GLU 78 HB2 0.0013 0.0036 0.0019 16218 GLU 78 HB3 0.0008 0.0040 0.0019 16219 GLU 78 HG2 0.0004 0.0041 0.0019 16220 GLU 78 HG3 0.0010 0.0038 0.0019 16221 LEU 79 N 0.0009 0.0035 0.0021 16222 LEU 79 CA 0.0009 0.0030 0.0020 16223 LEU 79 C 0.0004 0.0026 0.0016 16224 LEU 79 O 0.0001 0.0024 0.0015 16225 LEU 79 CB 0.0016 0.0026 0.0022 16226 LEU 79 CG 0.0020 0.0025 0.0023 16227 LEU 79 CD1 0.0016 0.0022 0.0020 16228 LEU 79 CD2 0.0022 0.0033 0.0026 16229 LEU 79 H 0.0013 0.0035 0.0023 16230 LEU 79 HA 0.0009 0.0034 0.0021 16231 LEU 79 HB2 0.0020 0.0028 0.0024 16232 LEU 79 HB3 0.0016 0.0021 0.0020 16233 LEU 79 HG 0.0025 0.0022 0.0024 16234 LEU 79 HD11 0.0011 0.0025 0.0019 16235 LEU 79 HD12 0.0015 0.0017 0.0018 16236 LEU 79 HD13 0.0019 0.0021 0.0021 16237 LEU 79 HD21 0.0020 0.0036 0.0026 16238 LEU 79 HD22 0.0019 0.0034 0.0025 16239 LEU 79 HD23 0.0028 0.0032 0.0028 16240 ILE 80 N 0.0002 0.0023 0.0015 16241 ILE 80 CA -0.0003 0.0019 0.0011 16242 ILE 80 C -0.0011 0.0023 0.0010 16243 ILE 80 O -0.0015 0.0021 0.0007 16244 ILE 80 CB -0.0003 0.0015 0.0010 16245 ILE 80 CG1 0.0003 0.0009 0.0011 16246 ILE 80 CG2 -0.0010 0.0012 0.0007 16247 ILE 80 CD1 0.0006 0.0008 0.0012 16248 ILE 80 H 0.0005 0.0024 0.0016 16249 ILE 80 HA -0.0003 0.0014 0.0010 16250 ILE 80 HB -0.0002 0.0019 0.0012 16251 ILE 80 HG12 0.0002 0.0004 0.0009 16252 ILE 80 HG13 0.0007 0.0011 0.0013 16253 ILE 80 HG21 -0.0011 0.0009 0.0005 16254 ILE 80 HG22 -0.0013 0.0016 0.0007 16255 ILE 80 HG23 -0.0009 0.0009 0.0006 16256 ILE 80 HD11 0.0011 0.0004 0.0012 16257 ILE 80 HD12 0.0002 0.0006 0.0010 16258 ILE 80 HD13 0.0008 0.0013 0.0014 16259 LEU 81 N -0.0012 0.0029 0.0011 16260 LEU 81 CA -0.0019 0.0033 0.0010 16261 LEU 81 C -0.0020 0.0036 0.0010 16262 LEU 81 O -0.0026 0.0036 0.0008 16263 LEU 81 CB -0.0019 0.0039 0.0012 16264 LEU 81 CG -0.0018 0.0037 0.0011 16265 LEU 81 CD1 -0.0017 0.0044 0.0014 16266 LEU 81 CD2 -0.0025 0.0034 0.0008 16267 LEU 81 H -0.0008 0.0030 0.0013 16268 LEU 81 HA -0.0023 0.0030 0.0007 16269 LEU 81 HB2 -0.0015 0.0042 0.0014 16270 LEU 81 HB3 -0.0024 0.0043 0.0011 16271 LEU 81 HG -0.0014 0.0034 0.0012 16272 LEU 81 HD11 -0.0012 0.0046 0.0016 16273 LEU 81 HD12 -0.0017 0.0043 0.0013 16274 LEU 81 HD13 -0.0021 0.0048 0.0013 16275 LEU 81 HD21 -0.0024 0.0033 0.0008 16276 LEU 81 HD22 -0.0025 0.0029 0.0006 16277 LEU 81 HD23 -0.0029 0.0038 0.0007 16278 LYS 82 N -0.0014 0.0037 0.0013 16279 LYS 82 CA -0.0015 0.0040 0.0013 16280 LYS 82 C -0.0017 0.0034 0.0011 16281 LYS 82 O -0.0021 0.0036 0.0010 16282 LYS 82 CB -0.0008 0.0041 0.0017 16283 LYS 82 CG -0.0008 0.0046 0.0018 16284 LYS 82 CD -0.0001 0.0045 0.0020 16285 LYS 82 CE 0.0005 0.0047 0.0024 16286 LYS 82 NZ 0.0011 0.0047 0.0026 16287 LYS 82 H -0.0010 0.0037 0.0014 16288 LYS 82 HA -0.0018 0.0045 0.0014 16289 LYS 82 HB2 -0.0005 0.0044 0.0018 16290 LYS 82 HB3 -0.0005 0.0037 0.0016 16291 LYS 82 HG2 -0.0012 0.0046 0.0016 16292 LYS 82 HG3 -0.0008 0.0052 0.0020 16293 LYS 82 HD2 -0.0001 0.0039 0.0019 16294 LYS 82 HD3 -0.0002 0.0048 0.0021 16295 LYS 82 HE2 0.0004 0.0052 0.0025 16296 LYS 82 HE3 0.0006 0.0043 0.0023 16297 LYS 82 HZ1 0.0010 0.0050 0.0027 16298 LYS 82 HZ2 0.0012 0.0042 0.0025 16299 LYS 82 HZ3 0.0016 0.0048 0.0028 16300 SER 83 N -0.0015 0.0028 0.0009 16301 SER 83 CA -0.0017 0.0022 0.0007 16302 SER 83 C -0.0025 0.0022 0.0004 16303 SER 83 O -0.0028 0.0021 0.0002 16304 SER 83 CB -0.0014 0.0015 0.0006 16305 SER 83 OG -0.0015 0.0009 0.0004 16306 SER 83 H -0.0012 0.0027 0.0010 16307 SER 83 HA -0.0015 0.0023 0.0008 16308 SER 83 HB2 -0.0008 0.0015 0.0008 16309 SER 83 HB3 -0.0016 0.0014 0.0005 16310 SER 83 HG -0.0019 0.0006 0.0001 16311 GLY 84 N -0.0029 0.0024 0.0003 16312 GLY 84 CA -0.0036 0.0024 -0.0000 16313 GLY 84 C -0.0039 0.0019 -0.0003 16314 GLY 84 O -0.0036 0.0019 -0.0002 16315 GLY 84 H -0.0026 0.0025 0.0004 16316 GLY 84 HA2 -0.0038 0.0029 0.0001 16317 GLY 84 HA3 -0.0038 0.0022 -0.0001 16318 ASN 85 N -0.0045 0.0022 -0.0011 16319 ASN 85 CA -0.0049 0.0018 -0.0015 16320 ASN 85 C -0.0044 0.0010 -0.0016 16321 ASN 85 O -0.0047 0.0005 -0.0020 16322 ASN 85 CB -0.0057 0.0016 -0.0020 16323 ASN 85 CG -0.0056 0.0012 -0.0022 16324 ASN 85 OD1 -0.0049 0.0009 -0.0020 16325 ASN 85 ND2 -0.0062 0.0012 -0.0026 16326 ASN 85 H -0.0046 0.0022 -0.0011 16327 ASN 85 HA -0.0051 0.0022 -0.0014 16328 ASN 85 HB2 -0.0059 0.0012 -0.0024 16329 ASN 85 HB3 -0.0061 0.0022 -0.0020 16330 ASN 85 HD21 -0.0067 0.0015 -0.0027 16331 ASN 85 HD22 -0.0061 0.0010 -0.0026 16332 LYS 86 N -0.0037 0.0008 -0.0013 16333 LYS 86 CA -0.0031 0.0001 -0.0013 16334 LYS 86 C -0.0023 0.0002 -0.0008 16335 LYS 86 O -0.0022 0.0007 -0.0004 16336 LYS 86 CB -0.0032 -0.0007 -0.0018 16337 LYS 86 CG -0.0033 -0.0006 -0.0018 16338 LYS 86 CD -0.0031 -0.0014 -0.0021 16339 LYS 86 CE -0.0032 -0.0014 -0.0021 16340 LYS 86 NZ -0.0026 -0.0010 -0.0015 16341 LYS 86 H -0.0035 0.0012 -0.0010 16342 LYS 86 HA -0.0032 -0.0000 -0.0014 16343 LYS 86 HB2 -0.0027 -0.0012 -0.0017 16344 LYS 86 HB3 -0.0038 -0.0008 -0.0021 16345 LYS 86 HG2 -0.0039 -0.0003 -0.0019 16346 LYS 86 HG3 -0.0029 -0.0003 -0.0013 16347 LYS 86 HD2 -0.0025 -0.0017 -0.0018 16348 LYS 86 HD3 -0.0035 -0.0018 -0.0025 16349 LYS 86 HE2 -0.0031 -0.0020 -0.0023 16350 LYS 86 HE3 -0.0038 -0.0011 -0.0023 16351 LYS 86 HZ1 -0.0026 -0.0011 -0.0016 16352 LYS 86 HZ2 -0.0021 -0.0011 -0.0013 16353 LYS 86 HZ3 -0.0029 -0.0003 -0.0014 16354 VAL 87 N -0.0017 -0.0004 -0.0007 16355 VAL 87 CA -0.0009 -0.0004 -0.0002 16356 VAL 87 C -0.0003 -0.0012 -0.0003 16357 VAL 87 O -0.0005 -0.0017 -0.0006 16358 VAL 87 CB -0.0007 0.0003 0.0002 16359 VAL 87 CG1 -0.0008 0.0001 0.0001 16360 VAL 87 CG2 0.0001 0.0004 0.0008 16361 VAL 87 H -0.0019 -0.0009 -0.0010 16362 VAL 87 HA -0.0008 -0.0003 -0.0001 16363 VAL 87 HB -0.0011 0.0008 0.0003 16364 VAL 87 HG11 -0.0006 0.0005 0.0004 16365 VAL 87 HG12 -0.0005 -0.0006 -0.0001 16366 VAL 87 HG13 -0.0014 0.0001 -0.0002 16367 VAL 87 HG21 0.0005 -0.0002 0.0008 16368 VAL 87 HG22 0.0003 0.0007 0.0011 16369 VAL 87 HG23 0.0001 0.0007 0.0010 16370 ALA 88 N 0.0003 -0.0014 0.0000 16371 ALA 88 CA 0.0009 -0.0022 -0.0000 16372 ALA 88 C 0.0016 -0.0020 0.0004 16373 ALA 88 O 0.0021 -0.0018 0.0009 16374 ALA 88 CB 0.0013 -0.0025 0.0001 16375 ALA 88 H 0.0004 -0.0010 0.0003 16376 ALA 88 HA 0.0007 -0.0026 -0.0004 16377 ALA 88 HB1 0.0009 -0.0026 -0.0003 16378 ALA 88 HB2 0.0018 -0.0030 0.0001 16379 ALA 88 HB3 0.0016 -0.0020 0.0004 16380 ILE 89 N 0.0015 -0.0022 0.0003 16381 ILE 89 CA 0.0020 -0.0021 0.0006 16382 ILE 89 C 0.0027 -0.0029 0.0006 16383 ILE 89 O 0.0025 -0.0036 0.0002 16384 ILE 89 CB 0.0016 -0.0019 0.0005 16385 ILE 89 CG1 0.0022 -0.0020 0.0008 16386 ILE 89 CG2 0.0010 -0.0024 -0.0001 16387 ILE 89 CD1 0.0019 -0.0016 0.0008 16388 ILE 89 H 0.0010 -0.0024 -0.0001 16389 ILE 89 HA 0.0023 -0.0017 0.0011 16390 ILE 89 HB 0.0013 -0.0013 0.0007 16391 ILE 89 HG12 0.0025 -0.0027 0.0007 16392 ILE 89 HG13 0.0027 -0.0017 0.0013 16393 ILE 89 HG21 0.0005 -0.0023 -0.0003 16394 ILE 89 HG22 0.0008 -0.0023 -0.0001 16395 ILE 89 HG23 0.0013 -0.0031 -0.0002 16396 ILE 89 HD11 0.0023 -0.0018 0.0010 16397 ILE 89 HD12 0.0014 -0.0018 0.0004 16398 ILE 89 HD13 0.0018 -0.0010 0.0011 16399 SER 90 N 0.0034 -0.0029 0.0011 16400 SER 90 CA 0.0040 -0.0036 0.0011 16401 SER 90 C 0.0045 -0.0037 0.0013 16402 SER 90 O 0.0048 -0.0032 0.0018 16403 SER 90 CB 0.0046 -0.0035 0.0015 16404 SER 90 OG 0.0048 -0.0043 0.0012 16405 SER 90 H 0.0035 -0.0024 0.0014 16406 SER 90 HA 0.0038 -0.0041 0.0007 16407 SER 90 HB2 0.0044 -0.0031 0.0016 16408 SER 90 HB3 0.0051 -0.0034 0.0019 16409 SER 90 HG 0.0046 -0.0047 0.0009 16410 THR 91 N 0.0070 -0.0057 0.0025 16411 THR 91 CA 0.0040 -0.0038 0.0022 16412 THR 91 C 0.0028 -0.0022 0.0019 16413 THR 91 O 0.0044 -0.0026 0.0018 16414 THR 91 CB 0.0044 -0.0013 0.0014 16415 THR 91 OG1 0.0068 0.0009 0.0004 16416 THR 91 CG2 0.0055 -0.0028 0.0017 16417 THR 91 H 0.0091 -0.0045 0.0019 16418 THR 91 HA 0.0021 -0.0055 0.0030 16419 THR 91 HB 0.0021 -0.0000 0.0013 16420 THR 91 HG1 0.0059 0.0031 -0.0001 16421 THR 91 HG21 0.0077 -0.0043 0.0020 16422 THR 91 HG22 0.0035 -0.0043 0.0024 16423 THR 91 HG23 0.0060 -0.0010 0.0011 16424 THR 92 N -0.0000 -0.0005 0.0016 16425 THR 92 CA -0.0014 0.0010 0.0013 16426 THR 92 C -0.0013 0.0047 0.0002 16427 THR 92 O -0.0033 0.0062 -0.0001 16428 THR 92 CB -0.0049 -0.0001 0.0021 16429 THR 92 OG1 -0.0063 0.0017 0.0017 16430 THR 92 CG2 -0.0072 0.0003 0.0022 16431 THR 92 H -0.0012 -0.0001 0.0017 16432 THR 92 HA 0.0002 0.0003 0.0014 16433 THR 92 HB -0.0047 -0.0026 0.0028 16434 THR 92 HG1 -0.0076 0.0035 0.0013 16435 THR 92 HG21 -0.0071 0.0027 0.0015 16436 THR 92 HG22 -0.0063 -0.0014 0.0027 16437 THR 92 HG23 -0.0097 -0.0002 0.0027 16438 PRO 93 N 0.0011 0.0061 -0.0005 16439 PRO 93 CA 0.0014 0.0096 -0.0017 16440 PRO 93 C -0.0018 0.0114 -0.0018 16441 PRO 93 O -0.0042 0.0099 -0.0011 16442 PRO 93 CB 0.0042 0.0101 -0.0021 16443 PRO 93 CG 0.0061 0.0070 -0.0014 16444 PRO 93 CD 0.0037 0.0044 -0.0003 16445 PRO 93 HA 0.0021 0.0105 -0.0020 16446 PRO 93 HB2 0.0031 0.0107 -0.0022 16447 PRO 93 HB3 0.0057 0.0120 -0.0029 16448 PRO 93 HG2 0.0071 0.0066 -0.0014 16449 PRO 93 HG3 0.0081 0.0070 -0.0016 16450 PRO 93 HD2 0.0028 0.0034 0.0001 16451 PRO 93 HD3 0.0050 0.0026 0.0001 16452 LEU 94 N -0.0017 0.0145 -0.0028 16453 LEU 94 CA -0.0045 0.0166 -0.0032 16454 LEU 94 C -0.0052 0.0163 -0.0030 16455 LEU 94 O -0.0031 0.0151 -0.0028 16456 LEU 94 CB -0.0038 0.0201 -0.0043 16457 LEU 94 CG -0.0002 0.0208 -0.0050 16458 LEU 94 CD1 0.0021 0.0204 -0.0051 16459 LEU 94 CD2 -0.0001 0.0241 -0.0060 16460 LEU 94 H 0.0003 0.0155 -0.0034 16461 LEU 94 HA -0.0066 0.0159 -0.0027 16462 LEU 94 HB2 -0.0043 0.0215 -0.0047 16463 LEU 94 HB3 -0.0054 0.0209 -0.0044 16464 LEU 94 HG 0.0005 0.0190 -0.0045 16465 LEU 94 HD11 0.0028 0.0179 -0.0044 16466 LEU 94 HD12 0.0043 0.0218 -0.0058 16467 LEU 94 HD13 0.0009 0.0213 -0.0053 16468 LEU 94 HD21 0.0024 0.0245 -0.0064 16469 LEU 94 HD22 -0.0017 0.0242 -0.0059 16470 LEU 94 HD23 -0.0009 0.0258 -0.0065 16471 GLU 95 N -0.0082 0.0173 -0.0030 16472 GLU 95 CA -0.0093 0.0172 -0.0028 16473 GLU 95 C -0.0122 0.0195 -0.0032 16474 GLU 95 O -0.0140 0.0204 -0.0033 16475 GLU 95 CB -0.0103 0.0138 -0.0016 16476 GLU 95 CG -0.0136 0.0128 -0.0009 16477 GLU 95 CD -0.0133 0.0114 -0.0005 16478 GLU 95 OE1 -0.0113 0.0091 -0.0001 16479 GLU 95 OE2 -0.0152 0.0126 -0.0007 16480 GLU 95 H -0.0097 0.0183 -0.0031 16481 GLU 95 HA -0.0072 0.0179 -0.0032 16482 GLU 95 HB2 -0.0104 0.0137 -0.0016 16483 GLU 95 HB3 -0.0084 0.0121 -0.0013 16484 GLU 95 HG2 -0.0152 0.0149 -0.0014 16485 GLU 95 HG3 -0.0146 0.0111 -0.0003 16486 ASN 96 N -0.0126 0.0206 -0.0035 16487 ASN 96 CA -0.0152 0.0229 -0.0039 16488 ASN 96 C -0.0185 0.0212 -0.0030 16489 ASN 96 O -0.0184 0.0182 -0.0021 16490 ASN 96 CB -0.0145 0.0246 -0.0045 16491 ASN 96 CG -0.0139 0.0224 -0.0039 16492 ASN 96 OD1 -0.0163 0.0212 -0.0032 16493 ASN 96 ND2 -0.0108 0.0218 -0.0041 16494 ASN 96 OXT -0.0212 0.0228 -0.0032 16495 ASN 96 H -0.0110 0.0198 -0.0034 16496 ASN 96 HA -0.0155 0.0246 -0.0044 16497 ASN 96 HB2 -0.0165 0.0262 -0.0048 16498 ASN 96 HB3 -0.0122 0.0259 -0.0052 16499 ASN 96 HD21 -0.0090 0.0229 -0.0046 16500 ASN 96 HD22 -0.0103 0.0204 -0.0037 16501 SER 101 N -0.0027 0.0038 0.0045 16502 SER 101 CA -0.0022 0.0034 0.0033 16503 SER 101 C -0.0013 0.0030 0.0032 16504 SER 101 O -0.0016 0.0031 0.0033 16505 SER 101 CB -0.0032 0.0035 0.0023 16506 SER 101 OG -0.0042 0.0039 0.0025 16507 SER 101 H1 -0.0030 0.0040 0.0046 16508 SER 101 H2 -0.0021 0.0038 0.0051 16509 SER 101 H3 -0.0034 0.0041 0.0044 16510 SER 101 HA -0.0018 0.0032 0.0032 16511 SER 101 HB2 -0.0034 0.0035 0.0021 16512 SER 101 HB3 -0.0029 0.0031 0.0014 16513 SER 101 HG -0.0046 0.0039 0.0018 16514 TRP 102 N -0.0002 0.0026 0.0031 16515 TRP 102 CA 0.0008 0.0022 0.0030 16516 TRP 102 C 0.0019 0.0018 0.0028 16517 TRP 102 O 0.0023 0.0018 0.0036 16518 TRP 102 CB 0.0009 0.0025 0.0042 16519 TRP 102 CG 0.0018 0.0021 0.0042 16520 TRP 102 CD1 0.0025 0.0017 0.0032 16521 TRP 102 CD2 0.0021 0.0023 0.0051 16522 TRP 102 NE1 0.0032 0.0015 0.0035 16523 TRP 102 CE2 0.0030 0.0019 0.0047 16524 TRP 102 CE3 0.0017 0.0027 0.0062 16525 TRP 102 CZ2 0.0035 0.0018 0.0054 16526 TRP 102 CZ3 0.0022 0.0027 0.0069 16527 TRP 102 CH2 0.0031 0.0022 0.0065 16528 TRP 102 H -0.0000 0.0025 0.0031 16529 TRP 102 HA 0.0005 0.0021 0.0023 16530 TRP 102 HB2 0.0001 0.0028 0.0044 16531 TRP 102 HB3 0.0012 0.0025 0.0050 16532 TRP 102 HD1 0.0025 0.0015 0.0024 16533 TRP 102 HE1 0.0038 0.0012 0.0030 16534 TRP 102 HE3 0.0011 0.0030 0.0066 16535 TRP 102 HZ2 0.0041 0.0015 0.0050 16536 TRP 102 HZ3 0.0019 0.0030 0.0078 16537 TRP 102 HH2 0.0034 0.0023 0.0070 16538 GLU 103 N 0.0023 0.0014 0.0018 16539 GLU 103 CA 0.0034 0.0009 0.0015 16540 GLU 103 C 0.0045 0.0007 0.0020 16541 GLU 103 O 0.0050 0.0007 0.0030 16542 GLU 103 CB 0.0034 0.0006 0.0001 16543 GLU 103 CG 0.0025 0.0008 -0.0004 16544 GLU 103 CD 0.0026 0.0005 -0.0017 16545 GLU 103 OE1 0.0033 0.0002 -0.0019 16546 GLU 103 OE2 0.0021 0.0004 -0.0026 16547 GLU 103 H 0.0019 0.0014 0.0012 16548 GLU 103 HA 0.0035 0.0010 0.0019 16549 GLU 103 HB2 0.0033 0.0005 -0.0003 16550 GLU 103 HB3 0.0043 0.0003 -0.0001 16551 GLU 103 HG2 0.0025 0.0009 0.0001 16552 GLU 103 HG3 0.0016 0.0011 -0.0004 16553 SER 104 N 0.0048 0.0004 0.0013 16554 SER 104 CA 0.0058 0.0001 0.0016 16555 SER 104 C 0.0054 0.0002 0.0013 16556 SER 104 O 0.0044 0.0005 0.0011 16557 SER 104 CB 0.0068 -0.0004 0.0010 16558 SER 104 OG 0.0070 -0.0004 0.0011 16559 SER 104 H 0.0043 0.0004 0.0005 16560 SER 104 HA 0.0059 0.0003 0.0026 16561 SER 104 HB2 0.0068 -0.0006 0.0001 16562 SER 104 HB3 0.0076 -0.0006 0.0014 16563 SER 104 HG 0.0064 -0.0001 0.0014 16564 HIS 105 N 0.0063 -0.0001 0.0012 16565 HIS 105 CA 0.0060 -0.0001 0.0009 16566 HIS 105 C 0.0066 -0.0006 -0.0003 16567 HIS 105 O 0.0076 -0.0010 -0.0003 16568 HIS 105 CB 0.0065 -0.0001 0.0019 16569 HIS 105 CG 0.0064 -0.0001 0.0016 16570 HIS 105 ND1 0.0056 -0.0000 0.0007 16571 HIS 105 CD2 0.0070 -0.0002 0.0020 16572 HIS 105 CE1 0.0057 -0.0001 0.0006 16573 HIS 105 NE2 0.0066 -0.0002 0.0014 16574 HIS 105 H 0.0071 -0.0004 0.0014 16575 HIS 105 HA 0.0051 0.0002 0.0008 16576 HIS 105 HB2 0.0061 0.0003 0.0027 16577 HIS 105 HB3 0.0074 -0.0003 0.0021 16578 HIS 105 HD2 0.0077 -0.0003 0.0027 16579 HIS 105 HE1 0.0052 -0.0000 -0.0000 16580 HIS 105 HE2 0.0070 -0.0004 0.0013 16581 LYS 106 N 0.0058 -0.0006 -0.0013 16582 LYS 106 CA 0.0062 -0.0010 -0.0025 16583 LYS 106 C 0.0053 -0.0008 -0.0031 16584 LYS 106 O 0.0052 -0.0010 -0.0042 16585 LYS 106 CB 0.0063 -0.0012 -0.0032 16586 LYS 106 CG 0.0073 -0.0015 -0.0028 16587 LYS 106 CD 0.0076 -0.0018 -0.0037 16588 LYS 106 CE 0.0086 -0.0020 -0.0033 16589 LYS 106 NZ 0.0084 -0.0017 -0.0022 16590 LYS 106 H 0.0050 -0.0003 -0.0012 16591 LYS 106 HA 0.0070 -0.0013 -0.0024 16592 LYS 106 HB2 0.0055 -0.0009 -0.0032 16593 LYS 106 HB3 0.0064 -0.0015 -0.0042 16594 LYS 106 HG2 0.0081 -0.0017 -0.0027 16595 LYS 106 HG3 0.0071 -0.0012 -0.0020 16596 LYS 106 HD2 0.0068 -0.0015 -0.0039 16597 LYS 106 HD3 0.0077 -0.0020 -0.0046 16598 LYS 106 HE2 0.0088 -0.0023 -0.0040 16599 LYS 106 HE3 0.0094 -0.0023 -0.0031 16600 LYS 106 HZ1 0.0091 -0.0019 -0.0020 16601 LYS 106 HZ2 0.0077 -0.0015 -0.0024 16602 LYS 106 HZ3 0.0083 -0.0015 -0.0015 16603 SER 107 N 0.0048 0.0015 0.0006 16604 SER 107 CA 0.0046 0.0017 0.0006 16605 SER 107 C 0.0043 0.0019 0.0005 16606 SER 107 O 0.0041 0.0020 0.0005 16607 SER 107 CB 0.0046 0.0015 0.0006 16608 SER 107 OG 0.0047 0.0012 0.0007 16609 SER 107 H 0.0048 0.0013 0.0006 16610 SER 107 HA 0.0048 0.0019 0.0005 16611 SER 107 HB2 0.0043 0.0014 0.0006 16612 SER 107 HB3 0.0046 0.0016 0.0006 16613 SER 107 HG 0.0046 0.0010 0.0007 16614 GLY 108 N 0.0043 0.0018 0.0005 16615 GLY 108 CA 0.0039 0.0020 0.0005 16616 GLY 108 C 0.0039 0.0018 0.0005 16617 GLY 108 O 0.0041 0.0016 0.0006 16618 GLY 108 H 0.0044 0.0017 0.0005 16619 GLY 108 HA2 0.0040 0.0022 0.0004 16620 GLY 108 HA3 0.0037 0.0020 0.0005 16621 GLY 109 N 0.0035 0.0018 0.0005 16622 GLY 109 CA 0.0034 0.0017 0.0005 16623 GLY 109 C 0.0033 0.0013 0.0006 16624 GLY 109 O 0.0034 0.0011 0.0006 16625 GLY 109 H 0.0034 0.0020 0.0005 16626 GLY 109 HA2 0.0036 0.0016 0.0005 16627 GLY 109 HA3 0.0032 0.0018 0.0005 16628 GLU 110 N 0.0030 0.0012 0.0006 16629 GLU 110 CA 0.0028 0.0009 0.0007 16630 GLU 110 C 0.0024 0.0010 0.0006 16631 GLU 110 O 0.0022 0.0008 0.0007 16632 GLU 110 CB 0.0029 0.0007 0.0007 16633 GLU 110 CG 0.0033 0.0006 0.0007 16634 GLU 110 CD 0.0034 0.0004 0.0008 16635 GLU 110 OE1 0.0035 0.0006 0.0007 16636 GLU 110 OE2 0.0034 0.0001 0.0008 16637 GLU 110 H 0.0029 0.0014 0.0006 16638 GLU 110 HA 0.0029 0.0008 0.0007 16639 GLU 110 HB2 0.0028 0.0008 0.0007 16640 GLU 110 HB3 0.0028 0.0004 0.0007 16641 GLU 110 HG2 0.0033 0.0004 0.0008 16642 GLU 110 HG3 0.0034 0.0008 0.0007 16643 THR 111 N 0.0023 0.0012 0.0006 16644 THR 111 CA 0.0020 0.0013 0.0006 16645 THR 111 C 0.0018 0.0011 0.0006 16646 THR 111 O 0.0018 0.0011 0.0006 16647 THR 111 CB 0.0019 0.0017 0.0005 16648 THR 111 OG1 0.0021 0.0019 0.0005 16649 THR 111 CG2 0.0015 0.0018 0.0005 16650 THR 111 H 0.0025 0.0014 0.0006 16651 THR 111 HA 0.0018 0.0013 0.0006 16652 THR 111 HB 0.0020 0.0017 0.0005 16653 THR 111 HG1 0.0021 0.0018 0.0005 16654 THR 111 HG21 0.0015 0.0021 0.0004 16655 THR 111 HG22 0.0015 0.0018 0.0005 16656 THR 111 HG23 0.0014 0.0016 0.0005 16657 ARG 112 N 0.0016 0.0008 0.0007 16658 ARG 112 CA 0.0014 0.0006 0.0007 16659 ARG 112 C 0.0010 0.0007 0.0007 16660 ARG 112 O 0.0009 0.0009 0.0006 16661 ARG 112 CB 0.0014 0.0002 0.0008 16662 ARG 112 CG 0.0013 0.0003 0.0007 16663 ARG 112 CD 0.0011 -0.0001 0.0008 16664 ARG 112 NE 0.0008 -0.0001 0.0008 16665 ARG 112 CZ 0.0006 -0.0004 0.0008 16666 ARG 112 NH1 0.0007 -0.0006 0.0009 16667 ARG 112 NH2 0.0003 -0.0004 0.0008 16668 ARG 112 H 0.0016 0.0008 0.0006 16669 ARG 112 HA 0.0016 0.0005 0.0007 16670 ARG 112 HB2 0.0013 0.0000 0.0008 16671 ARG 112 HB3 0.0017 0.0001 0.0008 16672 ARG 112 HG2 0.0015 0.0003 0.0007 16673 ARG 112 HG3 0.0011 0.0005 0.0007 16674 ARG 112 HD2 0.0013 -0.0003 0.0008 16675 ARG 112 HD3 0.0010 -0.0000 0.0008 16676 ARG 112 HE 0.0007 0.0001 0.0008 16677 ARG 112 HH11 0.0009 -0.0006 0.0009 16678 ARG 112 HH12 0.0005 -0.0009 0.0009 16679 ARG 112 HH21 0.0002 -0.0002 0.0008 16680 ARG 112 HH22 0.0001 -0.0006 0.0009 16681 LEU 113 N 0.0000 0.0017 0.0009 16682 LEU 113 CA -0.0005 0.0017 0.0007 16683 LEU 113 C -0.0010 0.0014 0.0004 16684 LEU 113 O -0.0011 0.0016 0.0004 16685 LEU 113 CB -0.0004 0.0012 0.0007 16686 LEU 113 CG 0.0000 0.0016 0.0009 16687 LEU 113 CD1 -0.0003 0.0023 0.0008 16688 LEU 113 CD2 0.0007 0.0016 0.0012 16689 LEU 113 OXT -0.0013 0.0009 0.0002 16690 LEU 113 H 0.0003 0.0013 0.0010 16691 LEU 113 HA -0.0007 0.0022 0.0007 16692 LEU 113 HB2 -0.0001 0.0008 0.0008 16693 LEU 113 HB3 -0.0008 0.0011 0.0005 16694 LEU 113 HG -0.0000 0.0012 0.0009 16695 LEU 113 HD11 0.0000 0.0025 0.0010 16696 LEU 113 HD12 -0.0002 0.0026 0.0009 16697 LEU 113 HD13 -0.0007 0.0022 0.0006 16698 LEU 113 HD21 0.0009 0.0018 0.0013 16699 LEU 113 HD22 0.0009 0.0011 0.0012 16700 LEU 113 HD23 0.0007 0.0019 0.0013