1 GLY 1 N 0.0076 0.0011 -0.0206 2 GLY 1 CA 0.0054 0.0002 -0.0195 3 GLY 1 C 0.0070 0.0009 -0.0185 4 GLY 1 O 0.0085 0.0015 -0.0206 5 GLY 1 H1 0.0065 0.0005 -0.0214 6 GLY 1 H2 0.0090 0.0018 -0.0187 7 GLY 1 H3 0.0090 0.0016 -0.0225 8 GLY 1 HA2 0.0039 -0.0006 -0.0214 9 GLY 1 HA3 0.0042 -0.0003 -0.0174 10 GLY 2 N 0.0068 0.0009 -0.0153 11 GLY 2 CA 0.0083 0.0016 -0.0141 12 GLY 2 C 0.0095 0.0023 -0.0107 13 GLY 2 O 0.0087 0.0020 -0.0090 14 GLY 2 H 0.0057 0.0005 -0.0138 15 GLY 2 HA2 0.0101 0.0023 -0.0158 16 GLY 2 HA3 0.0066 0.0009 -0.0141 17 SER 3 N 0.0115 0.0032 -0.0097 18 SER 3 CA 0.0128 0.0039 -0.0065 19 SER 3 C 0.0123 0.0037 -0.0046 20 SER 3 O 0.0122 0.0037 -0.0061 21 SER 3 CB 0.0162 0.0054 -0.0068 22 SER 3 OG 0.0167 0.0055 -0.0088 23 SER 3 H 0.0120 0.0034 -0.0112 24 SER 3 HA 0.0117 0.0035 -0.0051 25 SER 3 HB2 0.0173 0.0058 -0.0079 26 SER 3 HB3 0.0171 0.0059 -0.0044 27 SER 3 HG 0.0151 0.0048 -0.0084 28 MET 4 N 0.0119 0.0037 -0.0013 29 MET 4 CA 0.0114 0.0036 0.0008 30 MET 4 C 0.0084 0.0023 0.0001 31 MET 4 O 0.0083 0.0021 -0.0018 32 MET 4 CB 0.0140 0.0047 0.0006 33 MET 4 CG 0.0170 0.0061 0.0018 34 MET 4 SD 0.0198 0.0073 0.0025 35 MET 4 CE 0.0183 0.0068 0.0061 36 MET 4 H 0.0120 0.0038 -0.0003 37 MET 4 HA 0.0113 0.0036 0.0033 38 MET 4 HB2 0.0143 0.0047 -0.0020 39 MET 4 HB3 0.0135 0.0045 0.0021 40 MET 4 HG2 0.0166 0.0060 0.0041 41 MET 4 HG3 0.0179 0.0064 -0.0001 42 MET 4 HE1 0.0161 0.0058 0.0056 43 MET 4 HE2 0.0198 0.0075 0.0070 44 MET 4 HE3 0.0180 0.0067 0.0081 45 ARG 5 N 0.0060 0.0012 0.0016 46 ARG 5 CA 0.0030 -0.0001 0.0011 47 ARG 5 C 0.0028 -0.0001 0.0029 48 ARG 5 O 0.0039 0.0005 0.0056 49 ARG 5 CB 0.0005 -0.0011 0.0023 50 ARG 5 CG 0.0001 -0.0014 0.0002 51 ARG 5 CD 0.0024 -0.0003 0.0011 52 ARG 5 NE 0.0023 -0.0004 -0.0012 53 ARG 5 CZ 0.0045 0.0005 -0.0014 54 ARG 5 NH1 0.0068 0.0016 0.0007 55 ARG 5 NH2 0.0042 0.0003 -0.0036 56 ARG 5 H 0.0062 0.0014 0.0031 57 ARG 5 HA 0.0027 -0.0003 -0.0015 58 ARG 5 HB2 0.0010 -0.0008 0.0048 59 ARG 5 HB3 -0.0017 -0.0020 0.0024 60 ARG 5 HG2 -0.0022 -0.0023 0.0006 61 ARG 5 HG3 0.0004 -0.0013 -0.0023 62 ARG 5 HD2 0.0046 0.0007 0.0010 63 ARG 5 HD3 0.0019 -0.0004 0.0036 64 ARG 5 HE 0.0006 -0.0012 -0.0028 65 ARG 5 HH11 0.0070 0.0017 0.0024 66 ARG 5 HH12 0.0084 0.0023 0.0005 67 ARG 5 HH21 0.0025 -0.0005 -0.0052 68 ARG 5 HH22 0.0058 0.0010 -0.0037 69 PRO 6 N 0.0015 -0.0007 0.0013 70 PRO 6 CA 0.0012 -0.0008 0.0028 71 PRO 6 C -0.0016 -0.0019 0.0049 72 PRO 6 O -0.0042 -0.0031 0.0036 73 PRO 6 CB 0.0011 -0.0009 -0.0003 74 PRO 6 CG 0.0011 -0.0011 -0.0032 75 PRO 6 CD 0.0001 -0.0014 -0.0020 76 PRO 6 HA 0.0032 0.0002 0.0042 77 PRO 6 HB2 -0.0009 -0.0018 -0.0002 78 PRO 6 HB3 0.0031 -0.0001 -0.0004 79 PRO 6 HG2 -0.0005 -0.0018 -0.0050 80 PRO 6 HG3 0.0033 -0.0001 -0.0043 81 PRO 6 HD2 -0.0023 -0.0025 -0.0018 82 PRO 6 HD3 0.0010 -0.0011 -0.0035 83 PRO 7 N -0.0026 -0.0037 0.0020 84 PRO 7 CA -0.0022 -0.0035 0.0017 85 PRO 7 C -0.0018 -0.0030 0.0013 86 PRO 7 O -0.0016 -0.0032 0.0010 87 PRO 7 CB -0.0022 -0.0042 0.0013 88 PRO 7 CG -0.0026 -0.0047 0.0015 89 PRO 7 CD -0.0028 -0.0045 0.0018 90 PRO 7 HA -0.0024 -0.0033 0.0019 91 PRO 7 HB2 -0.0018 -0.0042 0.0009 92 PRO 7 HB3 -0.0022 -0.0042 0.0013 93 PRO 7 HG2 -0.0025 -0.0052 0.0012 94 PRO 7 HG3 -0.0029 -0.0049 0.0018 95 PRO 7 HD2 -0.0025 -0.0045 0.0016 96 PRO 7 HD3 -0.0031 -0.0047 0.0022 97 ILE 8 N -0.0016 -0.0025 0.0014 98 ILE 8 CA -0.0011 -0.0020 0.0011 99 ILE 8 C -0.0007 -0.0021 0.0005 100 ILE 8 O -0.0007 -0.0020 0.0005 101 ILE 8 CB -0.0011 -0.0012 0.0014 102 ILE 8 CG1 -0.0016 -0.0012 0.0021 103 ILE 8 CG2 -0.0007 -0.0007 0.0012 104 ILE 8 CD1 -0.0017 -0.0006 0.0025 105 ILE 8 H -0.0017 -0.0024 0.0017 106 ILE 8 HA -0.0010 -0.0020 0.0010 107 ILE 8 HB -0.0010 -0.0011 0.0014 108 ILE 8 HG12 -0.0016 -0.0012 0.0021 109 ILE 8 HG13 -0.0019 -0.0016 0.0022 110 ILE 8 HG21 -0.0004 -0.0008 0.0008 111 ILE 8 HG22 -0.0007 -0.0002 0.0015 112 ILE 8 HG23 -0.0008 -0.0008 0.0013 113 ILE 8 HD11 -0.0013 -0.0002 0.0022 114 ILE 8 HD12 -0.0019 -0.0007 0.0027 115 ILE 8 HD13 -0.0018 -0.0003 0.0027 116 ILE 9 N -0.0004 -0.0023 0.0000 117 ILE 9 CA -0.0000 -0.0025 -0.0005 118 ILE 9 C 0.0004 -0.0018 -0.0007 119 ILE 9 O 0.0007 -0.0015 -0.0009 120 ILE 9 CB 0.0002 -0.0029 -0.0010 121 ILE 9 CG1 -0.0002 -0.0034 -0.0007 122 ILE 9 CG2 0.0004 -0.0033 -0.0015 123 ILE 9 CD1 -0.0006 -0.0040 -0.0006 124 ILE 9 H -0.0004 -0.0024 0.0001 125 ILE 9 HA -0.0002 -0.0027 -0.0005 126 ILE 9 HB 0.0005 -0.0026 -0.0011 127 ILE 9 HG12 -0.0004 -0.0032 -0.0004 128 ILE 9 HG13 -0.0001 -0.0037 -0.0011 129 ILE 9 HG21 0.0007 -0.0030 -0.0017 130 ILE 9 HG22 0.0005 -0.0037 -0.0018 131 ILE 9 HG23 0.0002 -0.0036 -0.0013 132 ILE 9 HD11 -0.0008 -0.0044 -0.0004 133 ILE 9 HD12 -0.0008 -0.0038 -0.0002 134 ILE 9 HD13 -0.0004 -0.0043 -0.0009 135 ILE 10 N 0.0004 -0.0016 -0.0006 136 ILE 10 CA 0.0008 -0.0010 -0.0008 137 ILE 10 C 0.0013 -0.0013 -0.0014 138 ILE 10 O 0.0012 -0.0019 -0.0017 139 ILE 10 CB 0.0007 -0.0007 -0.0005 140 ILE 10 CG1 0.0002 -0.0006 0.0001 141 ILE 10 CG2 0.0011 -0.0001 -0.0007 142 ILE 10 CD1 -0.0001 -0.0008 0.0004 143 ILE 10 H 0.0002 -0.0019 -0.0004 144 ILE 10 HA 0.0009 -0.0006 -0.0007 145 ILE 10 HB 0.0007 -0.0011 -0.0006 146 ILE 10 HG12 0.0003 -0.0000 0.0003 147 ILE 10 HG13 0.0000 -0.0008 0.0003 148 ILE 10 HG21 0.0010 0.0002 -0.0004 149 ILE 10 HG22 0.0013 0.0002 -0.0007 150 ILE 10 HG23 0.0014 -0.0002 -0.0011 151 ILE 10 HD11 -0.0002 -0.0013 0.0003 152 ILE 10 HD12 -0.0004 -0.0007 0.0009 153 ILE 10 HD13 0.0001 -0.0005 0.0003 154 HIS 11 N 0.0017 -0.0008 -0.0017 155 HIS 11 CA 0.0021 -0.0010 -0.0023 156 HIS 11 C 0.0024 -0.0005 -0.0025 157 HIS 11 O 0.0026 0.0002 -0.0024 158 HIS 11 CB 0.0024 -0.0010 -0.0027 159 HIS 11 CG 0.0028 -0.0012 -0.0033 160 HIS 11 ND1 0.0033 -0.0007 -0.0036 161 HIS 11 CD2 0.0029 -0.0018 -0.0037 162 HIS 11 CE1 0.0036 -0.0010 -0.0042 163 HIS 11 NE2 0.0034 -0.0017 -0.0042 164 HIS 11 H 0.0017 -0.0003 -0.0015 165 HIS 11 HA 0.0020 -0.0015 -0.0024 166 HIS 11 HB2 0.0022 -0.0014 -0.0026 167 HIS 11 HB3 0.0025 -0.0005 -0.0026 168 HIS 11 HD2 0.0026 -0.0022 -0.0036 169 HIS 11 HE1 0.0040 -0.0008 -0.0045 170 HIS 11 HE2 0.0035 -0.0020 -0.0046 171 ARG 12 N 0.0025 -0.0007 -0.0026 172 ARG 12 CA 0.0028 -0.0003 -0.0028 173 ARG 12 C 0.0033 -0.0000 -0.0033 174 ARG 12 O 0.0036 -0.0004 -0.0038 175 ARG 12 CB 0.0027 -0.0007 -0.0029 176 ARG 12 CG 0.0030 -0.0002 -0.0030 177 ARG 12 CD 0.0028 -0.0006 -0.0030 178 ARG 12 NE 0.0031 -0.0002 -0.0031 179 ARG 12 CZ 0.0033 -0.0005 -0.0035 180 ARG 12 NH1 0.0033 -0.0011 -0.0039 181 ARG 12 NH2 0.0035 -0.0001 -0.0036 182 ARG 12 H 0.0023 -0.0012 -0.0027 183 ARG 12 HA 0.0027 0.0002 -0.0024 184 ARG 12 HB2 0.0023 -0.0009 -0.0025 185 ARG 12 HB3 0.0029 -0.0011 -0.0033 186 ARG 12 HG2 0.0033 -0.0000 -0.0034 187 ARG 12 HG3 0.0028 0.0002 -0.0026 188 ARG 12 HD2 0.0024 -0.0008 -0.0026 189 ARG 12 HD3 0.0029 -0.0011 -0.0034 190 ARG 12 HE 0.0030 0.0002 -0.0029 191 ARG 12 HH11 0.0032 -0.0014 -0.0038 192 ARG 12 HH12 0.0035 -0.0012 -0.0041 193 ARG 12 HH21 0.0035 0.0004 -0.0033 194 ARG 12 HH22 0.0037 -0.0002 -0.0038 195 ALA 13 N 0.0037 0.0006 -0.0035 196 ALA 13 CA 0.0044 0.0009 -0.0040 197 ALA 13 C 0.0049 0.0012 -0.0043 198 ALA 13 O 0.0053 0.0019 -0.0043 199 ALA 13 CB 0.0045 0.0017 -0.0036 200 ALA 13 H 0.0035 0.0009 -0.0030 201 ALA 13 HA 0.0045 0.0005 -0.0043 202 ALA 13 HB1 0.0042 0.0015 -0.0034 203 ALA 13 HB2 0.0050 0.0020 -0.0040 204 ALA 13 HB3 0.0043 0.0021 -0.0032 205 GLY 14 N 0.0049 0.0006 -0.0046 206 GLY 14 CA 0.0053 0.0007 -0.0050 207 GLY 14 C 0.0051 0.0012 -0.0046 208 GLY 14 O 0.0055 0.0015 -0.0048 209 GLY 14 H 0.0045 0.0000 -0.0046 210 GLY 14 HA2 0.0052 0.0001 -0.0053 211 GLY 14 HA3 0.0058 0.0010 -0.0054 212 LYS 15 N 0.0046 0.0013 -0.0039 213 LYS 15 CA 0.0044 0.0018 -0.0035 214 LYS 15 C 0.0037 0.0014 -0.0029 215 LYS 15 O 0.0035 0.0010 -0.0030 216 LYS 15 CB 0.0045 0.0027 -0.0031 217 LYS 15 CG 0.0045 0.0028 -0.0030 218 LYS 15 CD 0.0043 0.0035 -0.0024 219 LYS 15 CE 0.0049 0.0043 -0.0026 220 LYS 15 NZ 0.0048 0.0051 -0.0020 221 LYS 15 H 0.0043 0.0011 -0.0038 222 LYS 15 HA 0.0047 0.0018 -0.0038 223 LYS 15 HB2 0.0042 0.0029 -0.0027 224 LYS 15 HB3 0.0050 0.0030 -0.0035 225 LYS 15 HG2 0.0049 0.0028 -0.0034 226 LYS 15 HG3 0.0041 0.0022 -0.0029 227 LYS 15 HD2 0.0041 0.0035 -0.0022 228 LYS 15 HD3 0.0040 0.0036 -0.0020 229 LYS 15 HE2 0.0051 0.0043 -0.0028 230 LYS 15 HE3 0.0053 0.0043 -0.0030 231 LYS 15 HZ1 0.0045 0.0050 -0.0018 232 LYS 15 HZ2 0.0052 0.0056 -0.0022 233 LYS 15 HZ3 0.0045 0.0051 -0.0017 234 LYS 16 N 0.0033 0.0015 -0.0024 235 LYS 16 CA 0.0026 0.0012 -0.0018 236 LYS 16 C 0.0022 0.0011 -0.0015 237 LYS 16 O 0.0024 0.0013 -0.0017 238 LYS 16 CB 0.0024 0.0018 -0.0013 239 LYS 16 CG 0.0028 0.0027 -0.0012 240 LYS 16 CD 0.0027 0.0032 -0.0008 241 LYS 16 CE 0.0031 0.0041 -0.0008 242 LYS 16 NZ 0.0031 0.0046 -0.0005 243 LYS 16 H 0.0034 0.0019 -0.0024 244 LYS 16 HA 0.0025 0.0006 -0.0021 245 LYS 16 HB2 0.0019 0.0017 -0.0009 246 LYS 16 HB3 0.0025 0.0016 -0.0015 247 LYS 16 HG2 0.0033 0.0028 -0.0017 248 LYS 16 HG3 0.0026 0.0029 -0.0009 249 LYS 16 HD2 0.0022 0.0032 -0.0003 250 LYS 16 HD3 0.0028 0.0029 -0.0011 251 LYS 16 HE2 0.0036 0.0041 -0.0013 252 LYS 16 HE3 0.0030 0.0043 -0.0006 253 LYS 16 HZ1 0.0035 0.0050 -0.0007 254 LYS 16 HZ2 0.0029 0.0042 -0.0005 255 LYS 16 HZ3 0.0028 0.0049 0.0000 256 TYR 17 N 0.0015 0.0008 -0.0010 257 TYR 17 CA 0.0011 0.0007 -0.0006 258 TYR 17 C 0.0010 0.0014 0.0000 259 TYR 17 O 0.0006 0.0015 0.0004 260 TYR 17 CB 0.0005 -0.0001 -0.0003 261 TYR 17 CG 0.0006 -0.0008 -0.0009 262 TYR 17 CD1 0.0007 -0.0010 -0.0010 263 TYR 17 CD2 0.0007 -0.0014 -0.0013 264 TYR 17 CE1 0.0008 -0.0016 -0.0016 265 TYR 17 CE2 0.0009 -0.0020 -0.0018 266 TYR 17 CZ 0.0009 -0.0022 -0.0020 267 TYR 17 OH 0.0010 -0.0028 -0.0025 268 TYR 17 H 0.0014 0.0006 -0.0009 269 TYR 17 HA 0.0014 0.0006 -0.0009 270 TYR 17 HB2 0.0002 0.0001 0.0001 271 TYR 17 HB3 0.0002 -0.0002 -0.0002 272 TYR 17 HD1 0.0006 -0.0005 -0.0007 273 TYR 17 HD2 0.0007 -0.0013 -0.0012 274 TYR 17 HE1 0.0009 -0.0017 -0.0017 275 TYR 17 HE2 0.0009 -0.0025 -0.0022 276 TYR 17 HH 0.0012 -0.0031 -0.0028 277 GLY 18 N 0.0013 0.0021 0.0000 278 GLY 18 CA 0.0012 0.0029 0.0006 279 GLY 18 C 0.0005 0.0029 0.0013 280 GLY 18 O 0.0004 0.0032 0.0017 281 GLY 18 H 0.0015 0.0020 -0.0003 282 GLY 18 HA2 0.0014 0.0032 0.0005 283 GLY 18 HA3 0.0014 0.0031 0.0005 284 PHE 19 N -0.0014 0.0011 0.0020 285 PHE 19 CA -0.0015 0.0010 0.0026 286 PHE 19 C -0.0015 0.0011 0.0026 287 PHE 19 O -0.0015 0.0010 0.0022 288 PHE 19 CB -0.0019 0.0006 0.0028 289 PHE 19 CG -0.0022 0.0002 0.0025 290 PHE 19 CD1 -0.0022 0.0000 0.0019 291 PHE 19 CD2 -0.0024 -0.0000 0.0028 292 PHE 19 CE1 -0.0024 -0.0003 0.0017 293 PHE 19 CE2 -0.0026 -0.0004 0.0025 294 PHE 19 CZ -0.0026 -0.0005 0.0020 295 PHE 19 H -0.0013 0.0011 0.0017 296 PHE 19 HA -0.0014 0.0013 0.0029 297 PHE 19 HB2 -0.0020 0.0006 0.0032 298 PHE 19 HB3 -0.0019 0.0005 0.0027 299 PHE 19 HD1 -0.0020 0.0002 0.0017 300 PHE 19 HD2 -0.0023 0.0001 0.0032 301 PHE 19 HE1 -0.0024 -0.0005 0.0012 302 PHE 19 HE2 -0.0027 -0.0005 0.0028 303 PHE 19 HZ -0.0028 -0.0008 0.0018 304 THR 20 N -0.0014 0.0013 0.0031 305 THR 20 CA -0.0014 0.0014 0.0033 306 THR 20 C -0.0017 0.0010 0.0035 307 THR 20 O -0.0019 0.0009 0.0040 308 THR 20 CB -0.0011 0.0018 0.0037 309 THR 20 OG1 -0.0008 0.0022 0.0035 310 THR 20 CG2 -0.0010 0.0020 0.0038 311 THR 20 H -0.0014 0.0013 0.0034 312 THR 20 HA -0.0012 0.0015 0.0029 313 THR 20 HB -0.0012 0.0017 0.0041 314 THR 20 HG1 -0.0008 0.0021 0.0032 315 THR 20 HG21 -0.0012 0.0017 0.0040 316 THR 20 HG22 -0.0008 0.0023 0.0042 317 THR 20 HG23 -0.0008 0.0021 0.0034 318 LEU 21 N -0.0018 0.0008 0.0032 319 LEU 21 CA -0.0021 0.0005 0.0034 320 LEU 21 C -0.0020 0.0007 0.0038 321 LEU 21 O -0.0019 0.0007 0.0035 322 LEU 21 CB -0.0023 0.0001 0.0029 323 LEU 21 CG -0.0027 -0.0004 0.0030 324 LEU 21 CD1 -0.0028 -0.0005 0.0036 325 LEU 21 CD2 -0.0028 -0.0007 0.0025 326 LEU 21 H -0.0016 0.0010 0.0028 327 LEU 21 HA -0.0023 0.0003 0.0037 328 LEU 21 HB2 -0.0022 0.0001 0.0025 329 LEU 21 HB3 -0.0022 0.0002 0.0028 330 LEU 21 HG -0.0028 -0.0005 0.0031 331 LEU 21 HD11 -0.0027 -0.0004 0.0035 332 LEU 21 HD12 -0.0027 -0.0003 0.0039 333 LEU 21 HD13 -0.0031 -0.0008 0.0036 334 LEU 21 HD21 -0.0031 -0.0010 0.0026 335 LEU 21 HD22 -0.0027 -0.0006 0.0021 336 LEU 21 HD23 -0.0028 -0.0006 0.0025 337 ARG 22 N -0.0020 0.0008 0.0043 338 ARG 22 CA -0.0019 0.0010 0.0047 339 ARG 22 C -0.0022 0.0007 0.0048 340 ARG 22 O -0.0025 0.0003 0.0050 341 ARG 22 CB -0.0018 0.0012 0.0053 342 ARG 22 CG -0.0015 0.0017 0.0055 343 ARG 22 CD -0.0012 0.0021 0.0052 344 ARG 22 NE -0.0009 0.0025 0.0054 345 ARG 22 CZ -0.0005 0.0029 0.0052 346 ARG 22 NH1 -0.0004 0.0029 0.0047 347 ARG 22 NH2 -0.0003 0.0033 0.0055 348 ARG 22 H -0.0021 0.0008 0.0045 349 ARG 22 HA -0.0016 0.0013 0.0045 350 ARG 22 HB2 -0.0018 0.0013 0.0052 351 ARG 22 HB3 -0.0021 0.0010 0.0056 352 ARG 22 HG2 -0.0015 0.0018 0.0059 353 ARG 22 HG3 -0.0015 0.0017 0.0055 354 ARG 22 HD2 -0.0012 0.0020 0.0047 355 ARG 22 HD3 -0.0012 0.0021 0.0051 356 ARG 22 HE -0.0009 0.0025 0.0057 357 ARG 22 HH11 -0.0006 0.0026 0.0046 358 ARG 22 HH12 -0.0002 0.0032 0.0046 359 ARG 22 HH21 -0.0003 0.0033 0.0058 360 ARG 22 HH22 -0.0000 0.0036 0.0053 361 ALA 23 N -0.0021 0.0008 0.0047 362 ALA 23 CA -0.0023 0.0005 0.0048 363 ALA 23 C -0.0024 0.0006 0.0054 364 ALA 23 O -0.0021 0.0010 0.0056 365 ALA 23 CB -0.0022 0.0005 0.0044 366 ALA 23 H -0.0018 0.0010 0.0045 367 ALA 23 HA -0.0026 0.0001 0.0047 368 ALA 23 HB1 -0.0020 0.0008 0.0045 369 ALA 23 HB2 -0.0022 0.0005 0.0039 370 ALA 23 HB3 -0.0024 0.0002 0.0044 371 ILE 24 N -0.0027 0.0002 0.0057 372 ILE 24 CA -0.0027 0.0003 0.0063 373 ILE 24 C -0.0031 -0.0001 0.0065 374 ILE 24 O -0.0034 -0.0005 0.0066 375 ILE 24 CB -0.0027 0.0004 0.0067 376 ILE 24 CG1 -0.0029 0.0002 0.0066 377 ILE 24 CG2 -0.0023 0.0009 0.0069 378 ILE 24 CD1 -0.0029 0.0002 0.0070 379 ILE 24 H -0.0029 -0.0001 0.0055 380 ILE 24 HA -0.0025 0.0006 0.0063 381 ILE 24 HB -0.0029 0.0003 0.0071 382 ILE 24 HG12 -0.0027 0.0003 0.0062 383 ILE 24 HG13 -0.0031 -0.0002 0.0064 384 ILE 24 HG21 -0.0022 0.0011 0.0065 385 ILE 24 HG22 -0.0022 0.0011 0.0070 386 ILE 24 HG23 -0.0023 0.0010 0.0072 387 ILE 24 HD11 -0.0031 0.0000 0.0074 388 ILE 24 HD12 -0.0030 0.0000 0.0069 389 ILE 24 HD13 -0.0027 0.0005 0.0072 390 ARG 25 N -0.0009 -0.0013 0.0053 391 ARG 25 CA -0.0014 0.0006 0.0031 392 ARG 25 C -0.0003 -0.0003 0.0029 393 ARG 25 O 0.0020 -0.0016 0.0017 394 ARG 25 CB -0.0003 0.0014 0.0003 395 ARG 25 CG -0.0014 0.0025 0.0002 396 ARG 25 CD -0.0001 0.0031 -0.0025 397 ARG 25 NE 0.0025 0.0011 -0.0029 398 ARG 25 CZ 0.0035 0.0008 -0.0039 399 ARG 25 NH1 0.0021 0.0025 -0.0046 400 ARG 25 NH2 0.0058 -0.0011 -0.0042 401 ARG 25 H 0.0004 -0.0022 0.0048 402 ARG 25 HA -0.0034 0.0020 0.0037 403 ARG 25 HB2 0.0017 -0.0000 -0.0002 404 ARG 25 HB3 -0.0005 0.0027 -0.0013 405 ARG 25 HG2 -0.0033 0.0040 0.0006 406 ARG 25 HG3 -0.0012 0.0012 0.0019 407 ARG 25 HD2 -0.0000 0.0042 -0.0042 408 ARG 25 HD3 -0.0011 0.0041 -0.0026 409 ARG 25 HE 0.0035 -0.0002 -0.0024 410 ARG 25 HH11 0.0004 0.0039 -0.0044 411 ARG 25 HH12 0.0029 0.0023 -0.0053 412 ARG 25 HH21 0.0068 -0.0023 -0.0036 413 ARG 25 HH22 0.0066 -0.0013 -0.0049 414 VAL 26 N -0.0018 0.0003 0.0041 415 VAL 26 CA -0.0009 -0.0005 0.0041 416 VAL 26 C -0.0004 0.0009 0.0013 417 VAL 26 O -0.0021 0.0029 0.0006 418 VAL 26 CB -0.0028 -0.0004 0.0065 419 VAL 26 CG1 -0.0026 -0.0024 0.0093 420 VAL 26 CG2 -0.0054 0.0019 0.0066 421 VAL 26 H -0.0036 0.0013 0.0050 422 VAL 26 HA 0.0008 -0.0023 0.0045 423 VAL 26 HB -0.0023 -0.0005 0.0060 424 VAL 26 HG11 -0.0041 -0.0021 0.0109 425 VAL 26 HG12 -0.0027 -0.0025 0.0095 426 VAL 26 HG13 -0.0009 -0.0040 0.0093 427 VAL 26 HG21 -0.0067 0.0020 0.0081 428 VAL 26 HG22 -0.0055 0.0033 0.0046 429 VAL 26 HG23 -0.0060 0.0020 0.0072 430 TYR 27 N 0.0020 -0.0002 -0.0003 431 TYR 27 CA 0.0027 0.0009 -0.0030 432 TYR 27 C 0.0025 0.0008 -0.0025 433 TYR 27 O 0.0028 -0.0008 -0.0004 434 TYR 27 CB 0.0054 -0.0003 -0.0048 435 TYR 27 CG 0.0057 0.0004 -0.0064 436 TYR 27 CD1 0.0057 -0.0004 -0.0051 437 TYR 27 CD2 0.0061 0.0020 -0.0092 438 TYR 27 CE1 0.0060 0.0003 -0.0066 439 TYR 27 CE2 0.0064 0.0027 -0.0107 440 TYR 27 CZ 0.0064 0.0018 -0.0094 441 TYR 27 OH 0.0067 0.0025 -0.0108 442 TYR 27 H 0.0032 -0.0018 0.0003 443 TYR 27 HA 0.0015 0.0027 -0.0040 444 TYR 27 HB2 0.0065 -0.0022 -0.0035 445 TYR 27 HB3 0.0062 0.0000 -0.0063 446 TYR 27 HD1 0.0054 -0.0016 -0.0029 447 TYR 27 HD2 0.0061 0.0027 -0.0103 448 TYR 27 HE1 0.0060 -0.0004 -0.0055 449 TYR 27 HE2 0.0067 0.0039 -0.0129 450 TYR 27 HH 0.0058 0.0041 -0.0121 451 MET 28 N 0.0021 0.0024 -0.0045 452 MET 28 CA 0.0019 0.0025 -0.0042 453 MET 28 C 0.0044 0.0011 -0.0056 454 MET 28 O 0.0046 0.0009 -0.0056 455 MET 28 CB 0.0001 0.0050 -0.0055 456 MET 28 CG -0.0024 0.0066 -0.0046 457 MET 28 SD -0.0040 0.0055 -0.0008 458 MET 28 CE -0.0068 0.0078 -0.0005 459 MET 28 H 0.0019 0.0037 -0.0061 460 MET 28 HA 0.0011 0.0017 -0.0020 461 MET 28 HB2 0.0009 0.0057 -0.0078 462 MET 28 HB3 -0.0003 0.0050 -0.0050 463 MET 28 HG2 -0.0020 0.0067 -0.0053 464 MET 28 HG3 -0.0036 0.0082 -0.0055 465 MET 28 HE1 -0.0080 0.0074 0.0017 466 MET 28 HE2 -0.0077 0.0094 -0.0017 467 MET 28 HE3 -0.0063 0.0079 -0.0013 468 GLY 29 N 0.0063 0.0002 -0.0068 469 GLY 29 CA 0.0088 -0.0011 -0.0082 470 GLY 29 C 0.0104 -0.0010 -0.0106 471 GLY 29 O 0.0104 -0.0012 -0.0102 472 GLY 29 H 0.0060 0.0005 -0.0068 473 GLY 29 HA2 0.0096 -0.0029 -0.0067 474 GLY 29 HA3 0.0086 -0.0004 -0.0091 475 ASP 30 N 0.0116 -0.0005 -0.0130 476 ASP 30 CA 0.0132 -0.0004 -0.0154 477 ASP 30 C 0.0117 0.0020 -0.0170 478 ASP 30 O 0.0125 0.0024 -0.0186 479 ASP 30 CB 0.0153 -0.0009 -0.0173 480 ASP 30 CG 0.0172 -0.0011 -0.0197 481 ASP 30 OD1 0.0190 -0.0030 -0.0192 482 ASP 30 OD2 0.0170 0.0006 -0.0220 483 ASP 30 H 0.0115 -0.0003 -0.0131 484 ASP 30 HA 0.0141 -0.0016 -0.0147 485 ASP 30 HB2 0.0162 -0.0025 -0.0161 486 ASP 30 HB3 0.0144 0.0004 -0.0182 487 SER 31 N 0.0090 0.0001 -0.0192 488 SER 31 CA 0.0072 0.0025 -0.0207 489 SER 31 C 0.0065 0.0025 -0.0195 490 SER 31 O 0.0069 0.0010 -0.0170 491 SER 31 CB 0.0047 0.0044 -0.0202 492 SER 31 OG 0.0043 0.0035 -0.0173 493 SER 31 H 0.0083 -0.0000 -0.0176 494 SER 31 HA 0.0081 0.0028 -0.0232 495 SER 31 HB2 0.0030 0.0058 -0.0200 496 SER 31 HB3 0.0049 0.0051 -0.0221 497 SER 31 HG 0.0026 0.0048 -0.0169 498 ASP 32 N 0.0054 0.0043 -0.0213 499 ASP 32 CA 0.0046 0.0046 -0.0205 500 ASP 32 C 0.0021 0.0057 -0.0178 501 ASP 32 O 0.0012 0.0059 -0.0167 502 ASP 32 CB 0.0043 0.0063 -0.0234 503 ASP 32 CG 0.0046 0.0059 -0.0231 504 ASP 32 OD1 0.0067 0.0039 -0.0229 505 ASP 32 OD2 0.0026 0.0077 -0.0232 506 ASP 32 H 0.0050 0.0055 -0.0232 507 ASP 32 HA 0.0062 0.0029 -0.0197 508 ASP 32 HB2 0.0059 0.0058 -0.0255 509 ASP 32 HB3 0.0025 0.0081 -0.0237 510 VAL 33 N 0.0008 0.0063 -0.0167 511 VAL 33 CA -0.0016 0.0073 -0.0142 512 VAL 33 C -0.0012 0.0054 -0.0109 513 VAL 33 O 0.0004 0.0036 -0.0100 514 VAL 33 CB -0.0032 0.0088 -0.0141 515 VAL 33 CG1 -0.0016 0.0073 -0.0142 516 VAL 33 CG2 -0.0057 0.0096 -0.0112 517 VAL 33 H 0.0016 0.0060 -0.0176 518 VAL 33 HA -0.0028 0.0086 -0.0146 519 VAL 33 HB -0.0039 0.0103 -0.0162 520 VAL 33 HG11 -0.0001 0.0070 -0.0164 521 VAL 33 HG12 -0.0028 0.0083 -0.0140 522 VAL 33 HG13 -0.0008 0.0056 -0.0122 523 VAL 33 HG21 -0.0069 0.0108 -0.0114 524 VAL 33 HG22 -0.0051 0.0080 -0.0091 525 VAL 33 HG23 -0.0067 0.0105 -0.0111 526 TYR 34 N -0.0025 0.0058 -0.0092 527 TYR 34 CA -0.0023 0.0042 -0.0061 528 TYR 34 C -0.0047 0.0055 -0.0042 529 TYR 34 O -0.0060 0.0073 -0.0057 530 TYR 34 CB 0.0002 0.0021 -0.0063 531 TYR 34 CG 0.0001 0.0028 -0.0079 532 TYR 34 CD1 -0.0010 0.0030 -0.0061 533 TYR 34 CD2 0.0012 0.0033 -0.0111 534 TYR 34 CE1 -0.0010 0.0036 -0.0075 535 TYR 34 CE2 0.0012 0.0040 -0.0126 536 TYR 34 CZ 0.0001 0.0041 -0.0107 537 TYR 34 OH 0.0001 0.0048 -0.0121 538 TYR 34 H -0.0037 0.0073 -0.0102 539 TYR 34 HA -0.0022 0.0035 -0.0048 540 TYR 34 HB2 0.0004 0.0008 -0.0040 541 TYR 34 HB3 0.0019 0.0012 -0.0077 542 TYR 34 HD1 -0.0019 0.0026 -0.0036 543 TYR 34 HD2 0.0021 0.0032 -0.0126 544 TYR 34 HE1 -0.0019 0.0038 -0.0061 545 TYR 34 HE2 0.0021 0.0044 -0.0151 546 TYR 34 HH -0.0000 0.0059 -0.0143 547 THR 35 N -0.0053 0.0046 -0.0011 548 THR 35 CA -0.0076 0.0056 0.0009 549 THR 35 C -0.0066 0.0039 0.0028 550 THR 35 O -0.0050 0.0018 0.0043 551 THR 35 CB -0.0095 0.0063 0.0032 552 THR 35 OG1 -0.0085 0.0056 0.0029 553 THR 35 CG2 -0.0121 0.0090 0.0026 554 THR 35 H -0.0043 0.0032 -0.0001 555 THR 35 HA -0.0086 0.0073 -0.0006 556 THR 35 HB -0.0097 0.0054 0.0056 557 THR 35 HG1 -0.0087 0.0048 0.0050 558 THR 35 HG21 -0.0119 0.0099 0.0001 559 THR 35 HG22 -0.0130 0.0095 0.0030 560 THR 35 HG23 -0.0134 0.0094 0.0042 561 VAL 36 N -0.0076 0.0048 0.0027 562 VAL 36 CA -0.0068 0.0034 0.0044 563 VAL 36 C -0.0084 0.0032 0.0079 564 VAL 36 O -0.0106 0.0048 0.0087 565 VAL 36 CB -0.0071 0.0044 0.0029 566 VAL 36 CG1 -0.0056 0.0025 0.0040 567 VAL 36 CG2 -0.0062 0.0052 -0.0008 568 VAL 36 H -0.0088 0.0065 0.0014 569 VAL 36 HA -0.0048 0.0016 0.0043 570 VAL 36 HB -0.0092 0.0059 0.0036 571 VAL 36 HG11 -0.0061 0.0033 0.0032 572 VAL 36 HG12 -0.0036 0.0010 0.0031 573 VAL 36 HG13 -0.0062 0.0018 0.0066 574 VAL 36 HG21 -0.0074 0.0067 -0.0016 575 VAL 36 HG22 -0.0042 0.0038 -0.0016 576 VAL 36 HG23 -0.0065 0.0059 -0.0018 577 HIS 37 N -0.0053 -0.0005 0.0056 578 HIS 37 CA -0.0053 -0.0006 0.0055 579 HIS 37 C -0.0049 -0.0002 0.0052 580 HIS 37 O -0.0046 0.0002 0.0051 581 HIS 37 CB -0.0054 -0.0007 0.0062 582 HIS 37 CG -0.0058 -0.0012 0.0065 583 HIS 37 ND1 -0.0061 -0.0016 0.0061 584 HIS 37 CD2 -0.0059 -0.0013 0.0071 585 HIS 37 CE1 -0.0064 -0.0019 0.0065 586 HIS 37 NE2 -0.0063 -0.0017 0.0071 587 HIS 37 H -0.0051 -0.0003 0.0059 588 HIS 37 HA -0.0055 -0.0010 0.0052 589 HIS 37 HB2 -0.0052 -0.0004 0.0065 590 HIS 37 HB3 -0.0054 -0.0007 0.0061 591 HIS 37 HD2 -0.0058 -0.0010 0.0075 592 HIS 37 HE1 -0.0067 -0.0023 0.0064 593 HIS 37 HE2 -0.0065 -0.0020 0.0075 594 HIS 38 N -0.0050 -0.0002 0.0051 595 HIS 38 CA -0.0046 0.0002 0.0048 596 HIS 38 C -0.0047 0.0002 0.0050 597 HIS 38 O -0.0050 -0.0002 0.0052 598 HIS 38 CB -0.0046 0.0001 0.0041 599 HIS 38 CG -0.0046 0.0001 0.0038 600 HIS 38 ND1 -0.0043 0.0006 0.0037 601 HIS 38 CD2 -0.0049 -0.0003 0.0035 602 HIS 38 CE1 -0.0043 0.0004 0.0035 603 HIS 38 NE2 -0.0047 -0.0001 0.0033 604 HIS 38 H -0.0052 -0.0005 0.0052 605 HIS 38 HA -0.0044 0.0006 0.0049 606 HIS 38 HB2 -0.0049 -0.0003 0.0039 607 HIS 38 HB3 -0.0044 0.0004 0.0039 608 HIS 38 HD2 -0.0051 -0.0007 0.0034 609 HIS 38 HE1 -0.0041 0.0007 0.0034 610 HIS 38 HE2 -0.0048 -0.0003 0.0032 611 MET 39 N -0.0044 0.0006 0.0050 612 MET 39 CA -0.0044 0.0006 0.0053 613 MET 39 C -0.0040 0.0010 0.0049 614 MET 39 O -0.0037 0.0014 0.0048 615 MET 39 CB -0.0043 0.0008 0.0060 616 MET 39 CG -0.0046 0.0004 0.0064 617 MET 39 SD -0.0047 0.0005 0.0072 618 MET 39 CE -0.0043 0.0010 0.0075 619 MET 39 H -0.0041 0.0009 0.0049 620 MET 39 HA -0.0046 0.0003 0.0052 621 MET 39 HB2 -0.0041 0.0011 0.0061 622 MET 39 HB3 -0.0042 0.0009 0.0061 623 MET 39 HG2 -0.0049 0.0000 0.0062 624 MET 39 HG3 -0.0046 0.0004 0.0065 625 MET 39 HE1 -0.0040 0.0013 0.0072 626 MET 39 HE2 -0.0044 0.0009 0.0076 627 MET 39 HE3 -0.0043 0.0011 0.0080 628 VAL 40 N -0.0041 0.0009 0.0048 629 VAL 40 CA -0.0038 0.0012 0.0044 630 VAL 40 C -0.0035 0.0017 0.0049 631 VAL 40 O -0.0036 0.0017 0.0053 632 VAL 40 CB -0.0040 0.0010 0.0041 633 VAL 40 CG1 -0.0043 0.0007 0.0046 634 VAL 40 CG2 -0.0037 0.0014 0.0039 635 VAL 40 H -0.0044 0.0006 0.0049 636 VAL 40 HA -0.0037 0.0014 0.0041 637 VAL 40 HB -0.0041 0.0007 0.0038 638 VAL 40 HG11 -0.0045 0.0003 0.0047 639 VAL 40 HG12 -0.0043 0.0006 0.0044 640 VAL 40 HG13 -0.0041 0.0009 0.0051 641 VAL 40 HG21 -0.0038 0.0012 0.0035 642 VAL 40 HG22 -0.0034 0.0016 0.0036 643 VAL 40 HG23 -0.0035 0.0016 0.0042 644 TRP 41 N -0.0032 0.0021 0.0048 645 TRP 41 CA -0.0029 0.0026 0.0051 646 TRP 41 C -0.0027 0.0028 0.0050 647 TRP 41 O -0.0026 0.0031 0.0055 648 TRP 41 CB -0.0026 0.0030 0.0050 649 TRP 41 CG -0.0023 0.0034 0.0055 650 TRP 41 CD1 -0.0019 0.0039 0.0054 651 TRP 41 CD2 -0.0025 0.0033 0.0062 652 TRP 41 NE1 -0.0018 0.0041 0.0060 653 TRP 41 CE2 -0.0021 0.0038 0.0065 654 TRP 41 CE3 -0.0028 0.0029 0.0065 655 TRP 41 CZ2 -0.0021 0.0038 0.0071 656 TRP 41 CZ3 -0.0028 0.0029 0.0071 657 TRP 41 CH2 -0.0025 0.0034 0.0074 658 TRP 41 H -0.0032 0.0021 0.0044 659 TRP 41 HA -0.0030 0.0025 0.0056 660 TRP 41 HB2 -0.0027 0.0028 0.0049 661 TRP 41 HB3 -0.0024 0.0032 0.0046 662 TRP 41 HD1 -0.0018 0.0041 0.0050 663 TRP 41 HE1 -0.0015 0.0045 0.0061 664 TRP 41 HE3 -0.0031 0.0025 0.0063 665 TRP 41 HZ2 -0.0019 0.0042 0.0073 666 TRP 41 HZ3 -0.0031 0.0026 0.0074 667 TRP 41 HH2 -0.0025 0.0034 0.0079 668 HIS 42 N -0.0027 0.0028 0.0044 669 HIS 42 CA -0.0025 0.0030 0.0042 670 HIS 42 C -0.0026 0.0028 0.0036 671 HIS 42 O -0.0026 0.0027 0.0032 672 HIS 42 CB -0.0020 0.0036 0.0041 673 HIS 42 CG -0.0018 0.0039 0.0043 674 HIS 42 ND1 -0.0017 0.0042 0.0049 675 HIS 42 CD2 -0.0017 0.0040 0.0039 676 HIS 42 CE1 -0.0015 0.0044 0.0048 677 HIS 42 NE2 -0.0015 0.0044 0.0043 678 HIS 42 H -0.0028 0.0026 0.0041 679 HIS 42 HA -0.0025 0.0030 0.0046 680 HIS 42 HB2 -0.0020 0.0037 0.0044 681 HIS 42 HB3 -0.0020 0.0036 0.0036 682 HIS 42 HD2 -0.0018 0.0039 0.0034 683 HIS 42 HE1 -0.0013 0.0047 0.0052 684 HIS 42 HE2 -0.0013 0.0046 0.0041 685 VAL 43 N -0.0020 0.0039 0.0030 686 VAL 43 CA -0.0013 0.0035 0.0025 687 VAL 43 C -0.0006 0.0043 0.0022 688 VAL 43 O -0.0007 0.0050 0.0025 689 VAL 43 CB -0.0016 0.0030 0.0025 690 VAL 43 CG1 -0.0020 0.0036 0.0030 691 VAL 43 CG2 -0.0010 0.0027 0.0020 692 VAL 43 H -0.0022 0.0044 0.0034 693 VAL 43 HA -0.0012 0.0030 0.0022 694 VAL 43 HB -0.0021 0.0024 0.0027 695 VAL 43 HG11 -0.0025 0.0038 0.0034 696 VAL 43 HG12 -0.0021 0.0033 0.0030 697 VAL 43 HG13 -0.0016 0.0043 0.0029 698 VAL 43 HG21 -0.0007 0.0022 0.0016 699 VAL 43 HG22 -0.0005 0.0033 0.0018 700 VAL 43 HG23 -0.0012 0.0023 0.0020 701 GLU 44 N 0.0000 0.0041 0.0017 702 GLU 44 CA 0.0008 0.0047 0.0013 703 GLU 44 C 0.0010 0.0049 0.0012 704 GLU 44 O 0.0013 0.0043 0.0008 705 GLU 44 CB 0.0014 0.0043 0.0008 706 GLU 44 CG 0.0015 0.0046 0.0008 707 GLU 44 CD 0.0021 0.0042 0.0003 708 GLU 44 OE1 0.0019 0.0034 0.0002 709 GLU 44 OE2 0.0027 0.0047 -0.0001 710 GLU 44 H 0.0000 0.0035 0.0015 711 GLU 44 HA 0.0007 0.0054 0.0016 712 GLU 44 HB2 0.0012 0.0036 0.0007 713 GLU 44 HB3 0.0020 0.0045 0.0004 714 GLU 44 HG2 0.0016 0.0054 0.0009 715 GLU 44 HG3 0.0009 0.0044 0.0012 716 ASP 45 N 0.0010 0.0057 0.0015 717 ASP 45 CA 0.0013 0.0060 0.0014 718 ASP 45 C 0.0022 0.0063 0.0008 719 ASP 45 O 0.0025 0.0070 0.0008 720 ASP 45 CB 0.0009 0.0068 0.0019 721 ASP 45 CG 0.0010 0.0076 0.0021 722 ASP 45 OD1 0.0007 0.0075 0.0023 723 ASP 45 OD2 0.0014 0.0083 0.0020 724 ASP 45 H 0.0008 0.0062 0.0018 725 ASP 45 HA 0.0011 0.0054 0.0013 726 ASP 45 HB2 0.0011 0.0070 0.0018 727 ASP 45 HB3 0.0002 0.0065 0.0023 728 GLY 46 N 0.0026 0.0057 0.0004 729 GLY 46 CA 0.0034 0.0059 -0.0002 730 GLY 46 C 0.0038 0.0051 -0.0007 731 GLY 46 O 0.0045 0.0051 -0.0012 732 GLY 46 H 0.0023 0.0051 0.0004 733 GLY 46 HA2 0.0036 0.0065 -0.0001 734 GLY 46 HA3 0.0036 0.0061 -0.0003 735 GLY 47 N 0.0034 0.0044 -0.0006 736 GLY 47 CA 0.0037 0.0036 -0.0011 737 GLY 47 C 0.0032 0.0027 -0.0010 738 GLY 47 O 0.0030 0.0024 -0.0010 739 GLY 47 H 0.0028 0.0044 -0.0002 740 GLY 47 HA2 0.0040 0.0038 -0.0013 741 GLY 47 HA3 0.0042 0.0035 -0.0015 742 PRO 48 N 0.0028 0.0023 -0.0009 743 PRO 48 CA 0.0023 0.0014 -0.0008 744 PRO 48 C 0.0015 0.0013 -0.0002 745 PRO 48 O 0.0015 0.0016 -0.0002 746 PRO 48 CB 0.0021 0.0012 -0.0007 747 PRO 48 CG 0.0028 0.0017 -0.0010 748 PRO 48 CD 0.0030 0.0026 -0.0009 749 PRO 48 HA 0.0026 0.0008 -0.0012 750 PRO 48 HB2 0.0016 0.0014 -0.0002 751 PRO 48 HB3 0.0020 0.0005 -0.0009 752 PRO 48 HG2 0.0026 0.0018 -0.0008 753 PRO 48 HG3 0.0033 0.0013 -0.0015 754 PRO 48 HD2 0.0026 0.0031 -0.0005 755 PRO 48 HD3 0.0036 0.0029 -0.0012 756 ALA 49 N 0.0010 0.0009 0.0003 757 ALA 49 CA 0.0003 0.0008 0.0007 758 ALA 49 C 0.0002 0.0015 0.0009 759 ALA 49 O -0.0000 0.0014 0.0011 760 ALA 49 CB -0.0003 0.0006 0.0011 761 ALA 49 H 0.0010 0.0008 0.0002 762 ALA 49 HA 0.0004 0.0002 0.0006 763 ALA 49 HB1 -0.0006 -0.0000 0.0012 764 ALA 49 HB2 -0.0006 0.0011 0.0014 765 ALA 49 HB3 -0.0001 0.0005 0.0009 766 SER 50 N 0.0004 0.0023 0.0009 767 SER 50 CA 0.0002 0.0030 0.0012 768 SER 50 C 0.0006 0.0031 0.0009 769 SER 50 O 0.0003 0.0031 0.0011 770 SER 50 CB 0.0004 0.0039 0.0012 771 SER 50 OG -0.0002 0.0041 0.0017 772 SER 50 H 0.0006 0.0024 0.0008 773 SER 50 HA -0.0003 0.0030 0.0016 774 SER 50 HB2 0.0008 0.0038 0.0009 775 SER 50 HB3 0.0006 0.0044 0.0011 776 SER 50 HG -0.0006 0.0039 0.0019 777 GLU 51 N 0.0013 0.0031 0.0004 778 GLU 51 CA 0.0018 0.0031 0.0001 779 GLU 51 C 0.0016 0.0023 0.0001 780 GLU 51 O 0.0017 0.0023 -0.0000 781 GLU 51 CB 0.0026 0.0032 -0.0005 782 GLU 51 CG 0.0028 0.0040 -0.0005 783 GLU 51 CD 0.0030 0.0048 -0.0005 784 GLU 51 OE1 0.0025 0.0052 -0.0001 785 GLU 51 OE2 0.0036 0.0049 -0.0009 786 GLU 51 H 0.0015 0.0030 0.0002 787 GLU 51 HA 0.0017 0.0036 0.0002 788 GLU 51 HB2 0.0027 0.0027 -0.0006 789 GLU 51 HB3 0.0029 0.0032 -0.0007 790 GLU 51 HG2 0.0024 0.0042 -0.0001 791 GLU 51 HG3 0.0032 0.0039 -0.0008 792 ALA 52 N 0.0014 0.0016 0.0001 793 ALA 52 CA 0.0012 0.0008 0.0001 794 ALA 52 C 0.0006 0.0008 0.0006 795 ALA 52 O 0.0005 0.0004 0.0005 796 ALA 52 CB 0.0010 0.0001 0.0001 797 ALA 52 H 0.0013 0.0016 0.0002 798 ALA 52 HA 0.0016 0.0006 -0.0002 799 ALA 52 HB1 0.0004 0.0001 0.0005 800 ALA 52 HB2 0.0013 0.0002 -0.0001 801 ALA 52 HB3 0.0011 -0.0005 -0.0001 802 GLY 53 N 0.0001 0.0014 0.0010 803 GLY 53 CA -0.0005 0.0015 0.0014 804 GLY 53 C -0.0012 0.0015 0.0019 805 GLY 53 O -0.0017 0.0017 0.0023 806 GLY 53 H 0.0002 0.0018 0.0010 807 GLY 53 HA2 -0.0004 0.0021 0.0015 808 GLY 53 HA3 -0.0006 0.0010 0.0014 809 LEU 54 N -0.0011 0.0014 0.0018 810 LEU 54 CA -0.0018 0.0013 0.0023 811 LEU 54 C -0.0020 0.0022 0.0026 812 LEU 54 O -0.0016 0.0028 0.0024 813 LEU 54 CB -0.0016 0.0009 0.0021 814 LEU 54 CG -0.0023 0.0004 0.0025 815 LEU 54 CD1 -0.0021 -0.0000 0.0023 816 LEU 54 CD2 -0.0029 0.0010 0.0030 817 LEU 54 H -0.0007 0.0012 0.0015 818 LEU 54 HA -0.0022 0.0010 0.0025 819 LEU 54 HB2 -0.0013 0.0005 0.0018 820 LEU 54 HB3 -0.0014 0.0014 0.0021 821 LEU 54 HG -0.0025 -0.0000 0.0026 822 LEU 54 HD11 -0.0018 -0.0005 0.0020 823 LEU 54 HD12 -0.0026 -0.0002 0.0026 824 LEU 54 HD13 -0.0018 0.0004 0.0022 825 LEU 54 HD21 -0.0027 0.0014 0.0029 826 LEU 54 HD22 -0.0034 0.0007 0.0033 827 LEU 54 HD23 -0.0029 0.0014 0.0031 828 ARG 55 N -0.0028 0.0010 -0.0001 829 ARG 55 CA -0.0032 0.0016 -0.0001 830 ARG 55 C -0.0036 0.0017 0.0004 831 ARG 55 O -0.0037 0.0013 0.0009 832 ARG 55 CB -0.0031 0.0015 -0.0002 833 ARG 55 CG -0.0030 0.0010 0.0003 834 ARG 55 CD -0.0035 0.0012 0.0007 835 ARG 55 NE -0.0036 0.0016 0.0005 836 ARG 55 CZ -0.0039 0.0017 0.0008 837 ARG 55 NH1 -0.0040 0.0013 0.0013 838 ARG 55 NH2 -0.0040 0.0021 0.0005 839 ARG 55 H -0.0027 0.0007 0.0001 840 ARG 55 HA -0.0031 0.0019 -0.0005 841 ARG 55 HB2 -0.0034 0.0019 -0.0001 842 ARG 55 HB3 -0.0028 0.0015 -0.0006 843 ARG 55 HG2 -0.0027 0.0008 0.0001 844 ARG 55 HG3 -0.0030 0.0007 0.0005 845 ARG 55 HD2 -0.0034 0.0008 0.0010 846 ARG 55 HD3 -0.0038 0.0013 0.0010 847 ARG 55 HE -0.0035 0.0019 0.0001 848 ARG 55 HH11 -0.0039 0.0010 0.0015 849 ARG 55 HH12 -0.0041 0.0013 0.0015 850 ARG 55 HH21 -0.0039 0.0024 0.0001 851 ARG 55 HH22 -0.0042 0.0021 0.0007 852 GLN 56 N -0.0039 0.0022 0.0003 853 GLN 56 CA -0.0044 0.0024 0.0008 854 GLN 56 C -0.0047 0.0023 0.0013 855 GLN 56 O -0.0046 0.0025 0.0011 856 GLN 56 CB -0.0047 0.0030 0.0006 857 GLN 56 CG -0.0051 0.0032 0.0010 858 GLN 56 CD -0.0053 0.0038 0.0007 859 GLN 56 OE1 -0.0050 0.0038 0.0003 860 GLN 56 NE2 -0.0058 0.0041 0.0010 861 GLN 56 H -0.0038 0.0025 -0.0000 862 GLN 56 HA -0.0044 0.0021 0.0010 863 GLN 56 HB2 -0.0045 0.0031 0.0002 864 GLN 56 HB3 -0.0048 0.0033 0.0004 865 GLN 56 HG2 -0.0054 0.0033 0.0013 866 GLN 56 HG3 -0.0051 0.0029 0.0013 867 GLN 56 HE21 -0.0060 0.0041 0.0013 868 GLN 56 HE22 -0.0059 0.0045 0.0008 869 GLY 57 N -0.0049 0.0022 0.0018 870 GLY 57 CA -0.0052 0.0021 0.0023 871 GLY 57 C -0.0049 0.0015 0.0025 872 GLY 57 O -0.0051 0.0014 0.0028 873 GLY 57 H -0.0050 0.0021 0.0019 874 GLY 57 HA2 -0.0055 0.0022 0.0026 875 GLY 57 HA3 -0.0053 0.0024 0.0021 876 ASP 58 N -0.0046 0.0011 0.0023 877 ASP 58 CA -0.0043 0.0005 0.0025 878 ASP 58 C -0.0044 0.0001 0.0031 879 ASP 58 O -0.0046 0.0003 0.0032 880 ASP 58 CB -0.0038 0.0002 0.0021 881 ASP 58 CG -0.0034 -0.0002 0.0020 882 ASP 58 OD1 -0.0035 -0.0005 0.0025 883 ASP 58 OD2 -0.0031 -0.0002 0.0016 884 ASP 58 H -0.0045 0.0012 0.0021 885 ASP 58 HA -0.0043 0.0005 0.0026 886 ASP 58 HB2 -0.0037 0.0006 0.0017 887 ASP 58 HB3 -0.0036 -0.0000 0.0022 888 LEU 59 N -0.0043 -0.0003 0.0034 889 LEU 59 CA -0.0045 -0.0007 0.0040 890 LEU 59 C -0.0040 -0.0012 0.0039 891 LEU 59 O -0.0036 -0.0015 0.0036 892 LEU 59 CB -0.0047 -0.0009 0.0044 893 LEU 59 CG -0.0047 -0.0014 0.0050 894 LEU 59 CD1 -0.0051 -0.0012 0.0054 895 LEU 59 CD2 -0.0047 -0.0017 0.0052 896 LEU 59 H -0.0042 -0.0004 0.0033 897 LEU 59 HA -0.0047 -0.0005 0.0041 898 LEU 59 HB2 -0.0050 -0.0005 0.0046 899 LEU 59 HB3 -0.0045 -0.0010 0.0043 900 LEU 59 HG -0.0044 -0.0017 0.0048 901 LEU 59 HD11 -0.0051 -0.0010 0.0052 902 LEU 59 HD12 -0.0051 -0.0016 0.0058 903 LEU 59 HD13 -0.0054 -0.0009 0.0055 904 LEU 59 HD21 -0.0043 -0.0019 0.0050 905 LEU 59 HD22 -0.0049 -0.0014 0.0053 906 LEU 59 HD23 -0.0047 -0.0020 0.0056 907 ILE 60 N -0.0040 -0.0014 0.0041 908 ILE 60 CA -0.0036 -0.0019 0.0040 909 ILE 60 C -0.0036 -0.0024 0.0045 910 ILE 60 O -0.0039 -0.0024 0.0050 911 ILE 60 CB -0.0037 -0.0018 0.0039 912 ILE 60 CG1 -0.0036 -0.0013 0.0034 913 ILE 60 CG2 -0.0032 -0.0023 0.0039 914 ILE 60 CD1 -0.0041 -0.0007 0.0034 915 ILE 60 H -0.0043 -0.0011 0.0043 916 ILE 60 HA -0.0033 -0.0019 0.0036 917 ILE 60 HB -0.0040 -0.0017 0.0043 918 ILE 60 HG12 -0.0035 -0.0013 0.0033 919 ILE 60 HG13 -0.0034 -0.0013 0.0030 920 ILE 60 HG21 -0.0033 -0.0023 0.0039 921 ILE 60 HG22 -0.0029 -0.0025 0.0036 922 ILE 60 HG23 -0.0033 -0.0027 0.0043 923 ILE 60 HD11 -0.0044 -0.0007 0.0038 924 ILE 60 HD12 -0.0042 -0.0006 0.0035 925 ILE 60 HD13 -0.0040 -0.0004 0.0030 926 THR 61 N -0.0035 -0.0026 0.0039 927 THR 61 CA -0.0037 -0.0032 0.0042 928 THR 61 C -0.0036 -0.0036 0.0039 929 THR 61 O -0.0037 -0.0039 0.0041 930 THR 61 CB -0.0038 -0.0035 0.0043 931 THR 61 OG1 -0.0035 -0.0037 0.0038 932 THR 61 CG2 -0.0039 -0.0032 0.0047 933 THR 61 H -0.0034 -0.0026 0.0036 934 THR 61 HA -0.0038 -0.0031 0.0046 935 THR 61 HB -0.0039 -0.0039 0.0046 936 THR 61 HG1 -0.0035 -0.0041 0.0037 937 THR 61 HG21 -0.0037 -0.0028 0.0044 938 THR 61 HG22 -0.0040 -0.0029 0.0050 939 THR 61 HG23 -0.0039 -0.0034 0.0048 940 HIS 62 N -0.0033 -0.0036 0.0033 941 HIS 62 CA -0.0032 -0.0040 0.0029 942 HIS 62 C -0.0029 -0.0036 0.0024 943 HIS 62 O -0.0029 -0.0032 0.0023 944 HIS 62 CB -0.0032 -0.0046 0.0028 945 HIS 62 CG -0.0034 -0.0049 0.0033 946 HIS 62 ND1 -0.0035 -0.0049 0.0035 947 HIS 62 CD2 -0.0035 -0.0053 0.0036 948 HIS 62 CE1 -0.0037 -0.0053 0.0039 949 HIS 62 NE2 -0.0037 -0.0056 0.0040 950 HIS 62 H -0.0032 -0.0033 0.0032 951 HIS 62 HA -0.0033 -0.0041 0.0032 952 HIS 62 HB2 -0.0031 -0.0045 0.0026 953 HIS 62 HB3 -0.0031 -0.0048 0.0025 954 HIS 62 HD2 -0.0035 -0.0055 0.0035 955 HIS 62 HE1 -0.0038 -0.0054 0.0042 956 HIS 62 HE2 -0.0039 -0.0058 0.0043 957 VAL 63 N -0.0028 -0.0038 0.0021 958 VAL 63 CA -0.0026 -0.0036 0.0016 959 VAL 63 C -0.0024 -0.0041 0.0011 960 VAL 63 O -0.0025 -0.0044 0.0012 961 VAL 63 CB -0.0026 -0.0031 0.0016 962 VAL 63 CG1 -0.0027 -0.0033 0.0019 963 VAL 63 CG2 -0.0023 -0.0028 0.0011 964 VAL 63 H -0.0029 -0.0042 0.0022 965 VAL 63 HA -0.0025 -0.0034 0.0014 966 VAL 63 HB -0.0027 -0.0027 0.0019 967 VAL 63 HG11 -0.0027 -0.0029 0.0019 968 VAL 63 HG12 -0.0026 -0.0036 0.0016 969 VAL 63 HG13 -0.0029 -0.0035 0.0023 970 VAL 63 HG21 -0.0022 -0.0031 0.0007 971 VAL 63 HG22 -0.0023 -0.0025 0.0011 972 VAL 63 HG23 -0.0023 -0.0024 0.0010 973 ASN 64 N -0.0023 -0.0042 0.0007 974 ASN 64 CA -0.0021 -0.0046 0.0003 975 ASN 64 C -0.0022 -0.0053 0.0005 976 ASN 64 O -0.0022 -0.0057 0.0003 977 ASN 64 CB -0.0020 -0.0045 -0.0000 978 ASN 64 CG -0.0017 -0.0043 -0.0006 979 ASN 64 OD1 -0.0016 -0.0041 -0.0008 980 ASN 64 ND2 -0.0016 -0.0045 -0.0010 981 ASN 64 H -0.0022 -0.0039 0.0007 982 ASN 64 HA -0.0020 -0.0046 -0.0000 983 ASN 64 HB2 -0.0020 -0.0041 0.0002 984 ASN 64 HB3 -0.0020 -0.0048 0.0000 985 ASN 64 HD21 -0.0017 -0.0046 -0.0008 986 ASN 64 HD22 -0.0014 -0.0044 -0.0014 987 GLY 65 N -0.0024 -0.0053 0.0010 988 GLY 65 CA -0.0026 -0.0059 0.0012 989 GLY 65 C -0.0028 -0.0060 0.0016 990 GLY 65 O -0.0028 -0.0065 0.0016 991 GLY 65 H -0.0025 -0.0050 0.0011 992 GLY 65 HA2 -0.0027 -0.0060 0.0015 993 GLY 65 HA3 -0.0025 -0.0063 0.0009 994 GLU 66 N -0.0029 -0.0055 0.0019 995 GLU 66 CA -0.0030 -0.0055 0.0023 996 GLU 66 C -0.0032 -0.0050 0.0028 997 GLU 66 O -0.0031 -0.0045 0.0027 998 GLU 66 CB -0.0029 -0.0053 0.0019 999 GLU 66 CG -0.0029 -0.0056 0.0021 1000 GLU 66 CD -0.0030 -0.0063 0.0021 1001 GLU 66 OE1 -0.0028 -0.0065 0.0017 1002 GLU 66 OE2 -0.0032 -0.0065 0.0025 1003 GLU 66 H -0.0028 -0.0051 0.0019 1004 GLU 66 HA -0.0031 -0.0059 0.0024 1005 GLU 66 HB2 -0.0027 -0.0054 0.0015 1006 GLU 66 HB3 -0.0028 -0.0048 0.0020 1007 GLU 66 HG2 -0.0028 -0.0054 0.0018 1008 GLU 66 HG3 -0.0031 -0.0054 0.0025 1009 PRO 67 N -0.0052 -0.0039 0.0022 1010 PRO 67 CA -0.0052 -0.0035 0.0028 1011 PRO 67 C -0.0049 -0.0031 0.0027 1012 PRO 67 O -0.0048 -0.0032 0.0025 1013 PRO 67 CB -0.0056 -0.0039 0.0031 1014 PRO 67 CG -0.0058 -0.0044 0.0027 1015 PRO 67 CD -0.0055 -0.0044 0.0022 1016 PRO 67 HA -0.0052 -0.0034 0.0030 1017 PRO 67 HB2 -0.0056 -0.0038 0.0032 1018 PRO 67 HB3 -0.0058 -0.0039 0.0034 1019 PRO 67 HG2 -0.0057 -0.0045 0.0025 1020 PRO 67 HG3 -0.0061 -0.0047 0.0029 1021 PRO 67 HD2 -0.0055 -0.0046 0.0018 1022 PRO 67 HD3 -0.0057 -0.0045 0.0023 1023 VAL 68 N -0.0047 -0.0027 0.0030 1024 VAL 68 CA -0.0044 -0.0022 0.0030 1025 VAL 68 C -0.0046 -0.0022 0.0035 1026 VAL 68 O -0.0044 -0.0019 0.0035 1027 VAL 68 CB -0.0041 -0.0017 0.0031 1028 VAL 68 CG1 -0.0039 -0.0018 0.0027 1029 VAL 68 CG2 -0.0043 -0.0016 0.0037 1030 VAL 68 H -0.0048 -0.0026 0.0033 1031 VAL 68 HA -0.0043 -0.0023 0.0026 1032 VAL 68 HB -0.0039 -0.0014 0.0031 1033 VAL 68 HG11 -0.0037 -0.0018 0.0023 1034 VAL 68 HG12 -0.0037 -0.0014 0.0028 1035 VAL 68 HG13 -0.0041 -0.0021 0.0027 1036 VAL 68 HG21 -0.0045 -0.0015 0.0040 1037 VAL 68 HG22 -0.0046 -0.0019 0.0037 1038 VAL 68 HG23 -0.0041 -0.0012 0.0038 1039 HIS 69 N -0.0050 -0.0024 0.0038 1040 HIS 69 CA -0.0052 -0.0024 0.0043 1041 HIS 69 C -0.0053 -0.0026 0.0041 1042 HIS 69 O -0.0055 -0.0031 0.0039 1043 HIS 69 CB -0.0056 -0.0028 0.0046 1044 HIS 69 CG -0.0057 -0.0026 0.0050 1045 HIS 69 ND1 -0.0060 -0.0027 0.0054 1046 HIS 69 CD2 -0.0054 -0.0022 0.0050 1047 HIS 69 CE1 -0.0060 -0.0025 0.0057 1048 HIS 69 NE2 -0.0056 -0.0021 0.0054 1049 HIS 69 H -0.0051 -0.0026 0.0038 1050 HIS 69 HA -0.0051 -0.0021 0.0046 1051 HIS 69 HB2 -0.0057 -0.0031 0.0043 1052 HIS 69 HB3 -0.0059 -0.0030 0.0048 1053 HIS 69 HD2 -0.0051 -0.0020 0.0046 1054 HIS 69 HE1 -0.0062 -0.0025 0.0061 1055 HIS 69 HE2 -0.0054 -0.0018 0.0056 1056 GLY 70 N -0.0050 -0.0022 0.0041 1057 GLY 70 CA -0.0050 -0.0024 0.0039 1058 GLY 70 C -0.0046 -0.0021 0.0034 1059 GLY 70 O -0.0045 -0.0021 0.0033 1060 GLY 70 H -0.0048 -0.0019 0.0042 1061 GLY 70 HA2 -0.0051 -0.0022 0.0043 1062 GLY 70 HA3 -0.0052 -0.0028 0.0038 1063 LEU 71 N -0.0043 -0.0020 0.0032 1064 LEU 71 CA -0.0039 -0.0018 0.0027 1065 LEU 71 C -0.0037 -0.0012 0.0029 1066 LEU 71 O -0.0037 -0.0009 0.0033 1067 LEU 71 CB -0.0038 -0.0018 0.0024 1068 LEU 71 CG -0.0040 -0.0023 0.0021 1069 LEU 71 CD1 -0.0038 -0.0023 0.0017 1070 LEU 71 CD2 -0.0041 -0.0027 0.0018 1071 LEU 71 H -0.0044 -0.0020 0.0033 1072 LEU 71 HA -0.0040 -0.0020 0.0024 1073 LEU 71 HB2 -0.0038 -0.0016 0.0027 1074 LEU 71 HB3 -0.0035 -0.0016 0.0021 1075 LEU 71 HG -0.0043 -0.0025 0.0024 1076 LEU 71 HD11 -0.0040 -0.0026 0.0016 1077 LEU 71 HD12 -0.0035 -0.0021 0.0014 1078 LEU 71 HD13 -0.0037 -0.0020 0.0020 1079 LEU 71 HD21 -0.0043 -0.0027 0.0021 1080 LEU 71 HD22 -0.0038 -0.0025 0.0015 1081 LEU 71 HD23 -0.0042 -0.0030 0.0016 1082 VAL 72 N -0.0034 -0.0011 0.0026 1083 VAL 72 CA -0.0031 -0.0006 0.0027 1084 VAL 72 C -0.0028 -0.0002 0.0026 1085 VAL 72 O -0.0027 -0.0003 0.0023 1086 VAL 72 CB -0.0030 -0.0006 0.0024 1087 VAL 72 CG1 -0.0026 -0.0004 0.0019 1088 VAL 72 CG2 -0.0029 -0.0002 0.0028 1089 VAL 72 H -0.0034 -0.0013 0.0022 1090 VAL 72 HA -0.0033 -0.0005 0.0032 1091 VAL 72 HB -0.0032 -0.0009 0.0023 1092 VAL 72 HG11 -0.0023 0.0000 0.0020 1093 VAL 72 HG12 -0.0026 -0.0006 0.0016 1094 VAL 72 HG13 -0.0025 -0.0004 0.0017 1095 VAL 72 HG21 -0.0032 -0.0003 0.0032 1096 VAL 72 HG22 -0.0027 0.0002 0.0029 1097 VAL 72 HG23 -0.0029 -0.0003 0.0027 1098 HIS 73 N -0.0028 -0.0005 0.0032 1099 HIS 73 CA -0.0024 -0.0000 0.0031 1100 HIS 73 C -0.0021 -0.0002 0.0025 1101 HIS 73 O -0.0020 -0.0001 0.0024 1102 HIS 73 CB -0.0021 0.0005 0.0032 1103 HIS 73 CG -0.0018 0.0010 0.0034 1104 HIS 73 ND1 -0.0018 0.0014 0.0040 1105 HIS 73 CD2 -0.0014 0.0012 0.0032 1106 HIS 73 CE1 -0.0015 0.0018 0.0040 1107 HIS 73 NE2 -0.0013 0.0018 0.0035 1108 HIS 73 H -0.0028 -0.0004 0.0034 1109 HIS 73 HA -0.0025 0.0001 0.0034 1110 HIS 73 HB2 -0.0023 0.0004 0.0036 1111 HIS 73 HB3 -0.0018 0.0004 0.0028 1112 HIS 73 HD1 -0.0020 0.0014 0.0043 1113 HIS 73 HD2 -0.0013 0.0010 0.0027 1114 HIS 73 HE1 -0.0014 0.0022 0.0044 1115 THR 74 N -0.0020 -0.0004 0.0021 1116 THR 74 CA -0.0017 -0.0005 0.0015 1117 THR 74 C -0.0019 -0.0010 0.0012 1118 THR 74 O -0.0017 -0.0011 0.0007 1119 THR 74 CB -0.0014 -0.0004 0.0011 1120 THR 74 OG1 -0.0017 -0.0009 0.0010 1121 THR 74 CG2 -0.0012 0.0001 0.0014 1122 THR 74 H -0.0021 -0.0005 0.0022 1123 THR 74 HA -0.0014 -0.0002 0.0015 1124 THR 74 HB -0.0011 -0.0004 0.0007 1125 THR 74 HG1 -0.0016 -0.0008 0.0009 1126 THR 74 HG21 -0.0010 0.0005 0.0014 1127 THR 74 HG22 -0.0011 0.0001 0.0012 1128 THR 74 HG23 -0.0015 0.0001 0.0019 1129 GLU 75 N -0.0024 -0.0014 0.0015 1130 GLU 75 CA -0.0027 -0.0020 0.0012 1131 GLU 75 C -0.0027 -0.0020 0.0013 1132 GLU 75 O -0.0026 -0.0022 0.0009 1133 GLU 75 CB -0.0031 -0.0023 0.0016 1134 GLU 75 CG -0.0032 -0.0026 0.0013 1135 GLU 75 CD -0.0037 -0.0030 0.0016 1136 GLU 75 OE1 -0.0039 -0.0029 0.0021 1137 GLU 75 OE2 -0.0039 -0.0035 0.0013 1138 GLU 75 H -0.0025 -0.0013 0.0018 1139 GLU 75 HA -0.0025 -0.0021 0.0008 1140 GLU 75 HB2 -0.0032 -0.0021 0.0020 1141 GLU 75 HB3 -0.0034 -0.0026 0.0016 1142 GLU 75 HG2 -0.0031 -0.0028 0.0008 1143 GLU 75 HG3 -0.0030 -0.0023 0.0014 1144 VAL 76 N -0.0027 -0.0016 0.0018 1145 VAL 76 CA -0.0027 -0.0016 0.0018 1146 VAL 76 C -0.0023 -0.0013 0.0014 1147 VAL 76 O -0.0023 -0.0016 0.0011 1148 VAL 76 CB -0.0029 -0.0012 0.0025 1149 VAL 76 CG1 -0.0033 -0.0016 0.0029 1150 VAL 76 CG2 -0.0026 -0.0007 0.0027 1151 VAL 76 H -0.0028 -0.0014 0.0021 1152 VAL 76 HA -0.0030 -0.0020 0.0018 1153 VAL 76 HB -0.0028 -0.0012 0.0025 1154 VAL 76 HG11 -0.0035 -0.0020 0.0027 1155 VAL 76 HG12 -0.0034 -0.0013 0.0033 1156 VAL 76 HG13 -0.0034 -0.0016 0.0029 1157 VAL 76 HG21 -0.0024 -0.0007 0.0024 1158 VAL 76 HG22 -0.0028 -0.0006 0.0031 1159 VAL 76 HG23 -0.0023 -0.0004 0.0026 1160 VAL 77 N -0.0019 -0.0009 0.0013 1161 VAL 77 CA -0.0015 -0.0006 0.0009 1162 VAL 77 C -0.0014 -0.0010 0.0003 1163 VAL 77 O -0.0012 -0.0011 -0.0000 1164 VAL 77 CB -0.0011 -0.0002 0.0009 1165 VAL 77 CG1 -0.0006 0.0001 0.0005 1166 VAL 77 CG2 -0.0012 0.0003 0.0015 1167 VAL 77 H -0.0020 -0.0007 0.0016 1168 VAL 77 HA -0.0014 -0.0005 0.0010 1169 VAL 77 HB -0.0012 -0.0003 0.0009 1170 VAL 77 HG11 -0.0006 0.0001 0.0003 1171 VAL 77 HG12 -0.0006 -0.0001 0.0001 1172 VAL 77 HG13 -0.0004 0.0005 0.0006 1173 VAL 77 HG21 -0.0010 0.0005 0.0016 1174 VAL 77 HG22 -0.0015 0.0001 0.0019 1175 VAL 77 HG23 -0.0010 0.0005 0.0016 1176 GLU 78 N -0.0015 -0.0014 0.0001 1177 GLU 78 CA -0.0015 -0.0018 -0.0004 1178 GLU 78 C -0.0018 -0.0022 -0.0005 1179 GLU 78 O -0.0016 -0.0024 -0.0010 1180 GLU 78 CB -0.0016 -0.0020 -0.0005 1181 GLU 78 CG -0.0013 -0.0017 -0.0007 1182 GLU 78 CD -0.0013 -0.0020 -0.0011 1183 GLU 78 OE1 -0.0012 -0.0023 -0.0016 1184 GLU 78 OE2 -0.0015 -0.0021 -0.0008 1185 GLU 78 H -0.0017 -0.0013 0.0004 1186 GLU 78 HA -0.0011 -0.0016 -0.0008 1187 GLU 78 HB2 -0.0019 -0.0021 -0.0001 1188 GLU 78 HB3 -0.0017 -0.0024 -0.0008 1189 GLU 78 HG2 -0.0010 -0.0015 -0.0010 1190 GLU 78 HG3 -0.0013 -0.0014 -0.0003 1191 LEU 79 N -0.0017 -0.0035 0.0001 1192 LEU 79 CA -0.0018 -0.0040 -0.0000 1193 LEU 79 C -0.0015 -0.0037 -0.0004 1194 LEU 79 O -0.0013 -0.0041 -0.0008 1195 LEU 79 CB -0.0023 -0.0041 0.0006 1196 LEU 79 CG -0.0027 -0.0049 0.0007 1197 LEU 79 CD1 -0.0025 -0.0053 0.0002 1198 LEU 79 CD2 -0.0029 -0.0052 0.0007 1199 LEU 79 H -0.0019 -0.0033 0.0005 1200 LEU 79 HA -0.0018 -0.0045 -0.0003 1201 LEU 79 HB2 -0.0025 -0.0038 0.0010 1202 LEU 79 HB3 -0.0023 -0.0038 0.0007 1203 LEU 79 HG -0.0030 -0.0049 0.0012 1204 LEU 79 HD11 -0.0024 -0.0050 0.0002 1205 LEU 79 HD12 -0.0028 -0.0058 0.0003 1206 LEU 79 HD13 -0.0022 -0.0053 -0.0003 1207 LEU 79 HD21 -0.0031 -0.0057 0.0008 1208 LEU 79 HD22 -0.0030 -0.0049 0.0011 1209 LEU 79 HD23 -0.0026 -0.0052 0.0003 1210 ILE 80 N -0.0013 -0.0030 -0.0002 1211 ILE 80 CA -0.0009 -0.0027 -0.0005 1212 ILE 80 C -0.0004 -0.0027 -0.0012 1213 ILE 80 O -0.0002 -0.0029 -0.0016 1214 ILE 80 CB -0.0009 -0.0019 -0.0001 1215 ILE 80 CG1 -0.0013 -0.0019 0.0005 1216 ILE 80 CG2 -0.0004 -0.0015 -0.0005 1217 ILE 80 CD1 -0.0015 -0.0013 0.0011 1218 ILE 80 H -0.0014 -0.0027 0.0001 1219 ILE 80 HA -0.0011 -0.0030 -0.0005 1220 ILE 80 HB -0.0009 -0.0017 0.0001 1221 ILE 80 HG12 -0.0013 -0.0019 0.0004 1222 ILE 80 HG13 -0.0016 -0.0024 0.0007 1223 ILE 80 HG21 -0.0004 -0.0018 -0.0007 1224 ILE 80 HG22 -0.0001 -0.0013 -0.0008 1225 ILE 80 HG23 -0.0005 -0.0010 -0.0001 1226 ILE 80 HD11 -0.0018 -0.0014 0.0015 1227 ILE 80 HD12 -0.0012 -0.0008 0.0010 1228 ILE 80 HD13 -0.0015 -0.0013 0.0012 1229 LEU 81 N -0.0003 -0.0024 -0.0013 1230 LEU 81 CA 0.0002 -0.0024 -0.0019 1231 LEU 81 C 0.0002 -0.0031 -0.0023 1232 LEU 81 O 0.0006 -0.0032 -0.0029 1233 LEU 81 CB 0.0003 -0.0021 -0.0019 1234 LEU 81 CG 0.0003 -0.0014 -0.0014 1235 LEU 81 CD1 0.0003 -0.0012 -0.0013 1236 LEU 81 CD2 0.0006 -0.0008 -0.0016 1237 LEU 81 H -0.0005 -0.0023 -0.0009 1238 LEU 81 HA 0.0005 -0.0020 -0.0021 1239 LEU 81 HB2 0.0001 -0.0025 -0.0017 1240 LEU 81 HB3 0.0007 -0.0020 -0.0023 1241 LEU 81 HG -0.0001 -0.0014 -0.0009 1242 LEU 81 HD11 0.0000 -0.0016 -0.0012 1243 LEU 81 HD12 0.0003 -0.0007 -0.0010 1244 LEU 81 HD13 0.0007 -0.0011 -0.0018 1245 LEU 81 HD21 0.0006 -0.0009 -0.0015 1246 LEU 81 HD22 0.0010 -0.0008 -0.0020 1247 LEU 81 HD23 0.0006 -0.0003 -0.0012 1248 LYS 82 N -0.0002 -0.0037 -0.0021 1249 LYS 82 CA -0.0003 -0.0044 -0.0024 1250 LYS 82 C -0.0002 -0.0047 -0.0027 1251 LYS 82 O 0.0000 -0.0050 -0.0032 1252 LYS 82 CB -0.0008 -0.0049 -0.0020 1253 LYS 82 CG -0.0009 -0.0056 -0.0023 1254 LYS 82 CD -0.0014 -0.0061 -0.0018 1255 LYS 82 CE -0.0017 -0.0059 -0.0013 1256 LYS 82 NZ -0.0022 -0.0065 -0.0011 1257 LYS 82 H -0.0005 -0.0035 -0.0016 1258 LYS 82 HA -0.0001 -0.0045 -0.0028 1259 LYS 82 HB2 -0.0009 -0.0046 -0.0017 1260 LYS 82 HB3 -0.0010 -0.0049 -0.0017 1261 LYS 82 HG2 -0.0007 -0.0058 -0.0027 1262 LYS 82 HG3 -0.0008 -0.0056 -0.0024 1263 LYS 82 HD2 -0.0016 -0.0061 -0.0016 1264 LYS 82 HD3 -0.0015 -0.0066 -0.0021 1265 LYS 82 HE2 -0.0015 -0.0058 -0.0015 1266 LYS 82 HE3 -0.0018 -0.0055 -0.0010 1267 LYS 82 HZ1 -0.0021 -0.0070 -0.0014 1268 LYS 82 HZ2 -0.0024 -0.0067 -0.0009 1269 LYS 82 HZ3 -0.0024 -0.0064 -0.0007 1270 SER 83 N -0.0004 -0.0044 -0.0023 1271 SER 83 CA -0.0003 -0.0046 -0.0025 1272 SER 83 C 0.0002 -0.0044 -0.0031 1273 SER 83 O 0.0003 -0.0048 -0.0035 1274 SER 83 CB -0.0005 -0.0042 -0.0020 1275 SER 83 OG -0.0005 -0.0044 -0.0021 1276 SER 83 H -0.0005 -0.0041 -0.0019 1277 SER 83 HA -0.0005 -0.0052 -0.0025 1278 SER 83 HB2 -0.0009 -0.0044 -0.0015 1279 SER 83 HB3 -0.0003 -0.0037 -0.0019 1280 SER 83 HG -0.0002 -0.0040 -0.0022 1281 GLY 84 N 0.0005 -0.0039 -0.0032 1282 GLY 84 CA 0.0010 -0.0037 -0.0038 1283 GLY 84 C 0.0013 -0.0029 -0.0037 1284 GLY 84 O 0.0013 -0.0024 -0.0034 1285 GLY 84 H 0.0004 -0.0035 -0.0029 1286 GLY 84 HA2 0.0012 -0.0037 -0.0041 1287 GLY 84 HA3 0.0011 -0.0040 -0.0041 1288 ASN 85 N 0.0018 -0.0031 -0.0038 1289 ASN 85 CA 0.0020 -0.0023 -0.0039 1290 ASN 85 C 0.0017 -0.0022 -0.0034 1291 ASN 85 O 0.0019 -0.0016 -0.0035 1292 ASN 85 CB 0.0025 -0.0022 -0.0046 1293 ASN 85 CG 0.0025 -0.0029 -0.0049 1294 ASN 85 OD1 0.0023 -0.0033 -0.0046 1295 ASN 85 ND2 0.0030 -0.0031 -0.0055 1296 ASN 85 H 0.0019 -0.0035 -0.0041 1297 ASN 85 HA 0.0019 -0.0019 -0.0037 1298 ASN 85 HB2 0.0026 -0.0017 -0.0046 1299 ASN 85 HB3 0.0027 -0.0022 -0.0049 1300 ASN 85 HD21 0.0032 -0.0028 -0.0058 1301 ASN 85 HD22 0.0030 -0.0035 -0.0058 1302 LYS 86 N 0.0013 -0.0026 -0.0030 1303 LYS 86 CA 0.0010 -0.0025 -0.0025 1304 LYS 86 C 0.0005 -0.0030 -0.0020 1305 LYS 86 O 0.0004 -0.0034 -0.0019 1306 LYS 86 CB 0.0012 -0.0028 -0.0029 1307 LYS 86 CG 0.0012 -0.0037 -0.0032 1308 LYS 86 CD 0.0013 -0.0040 -0.0034 1309 LYS 86 CE 0.0013 -0.0048 -0.0037 1310 LYS 86 NZ 0.0009 -0.0054 -0.0032 1311 LYS 86 H 0.0012 -0.0031 -0.0030 1312 LYS 86 HA 0.0010 -0.0019 -0.0024 1313 LYS 86 HB2 0.0009 -0.0028 -0.0025 1314 LYS 86 HB3 0.0015 -0.0024 -0.0032 1315 LYS 86 HG2 0.0015 -0.0037 -0.0036 1316 LYS 86 HG3 0.0009 -0.0040 -0.0029 1317 LYS 86 HD2 0.0010 -0.0039 -0.0029 1318 LYS 86 HD3 0.0016 -0.0036 -0.0037 1319 LYS 86 HE2 0.0014 -0.0050 -0.0038 1320 LYS 86 HE3 0.0016 -0.0049 -0.0041 1321 LYS 86 HZ1 0.0006 -0.0053 -0.0027 1322 LYS 86 HZ2 0.0009 -0.0053 -0.0032 1323 LYS 86 HZ3 0.0009 -0.0059 -0.0034 1324 VAL 87 N 0.0002 -0.0029 -0.0015 1325 VAL 87 CA -0.0003 -0.0034 -0.0009 1326 VAL 87 C -0.0006 -0.0033 -0.0005 1327 VAL 87 O -0.0005 -0.0027 -0.0004 1328 VAL 87 CB -0.0005 -0.0030 -0.0005 1329 VAL 87 CG1 -0.0005 -0.0022 -0.0002 1330 VAL 87 CG2 -0.0010 -0.0036 0.0000 1331 VAL 87 H 0.0003 -0.0026 -0.0015 1332 VAL 87 HA -0.0003 -0.0040 -0.0011 1333 VAL 87 HB -0.0003 -0.0030 -0.0008 1334 VAL 87 HG11 -0.0008 -0.0022 0.0002 1335 VAL 87 HG12 -0.0002 -0.0018 -0.0006 1336 VAL 87 HG13 -0.0007 -0.0020 0.0001 1337 VAL 87 HG21 -0.0009 -0.0041 -0.0002 1338 VAL 87 HG22 -0.0012 -0.0037 0.0003 1339 VAL 87 HG23 -0.0011 -0.0033 0.0004 1340 ALA 88 N -0.0009 -0.0039 -0.0002 1341 ALA 88 CA -0.0012 -0.0040 0.0003 1342 ALA 88 C -0.0016 -0.0037 0.0010 1343 ALA 88 O -0.0020 -0.0042 0.0013 1344 ALA 88 CB -0.0013 -0.0048 0.0002 1345 ALA 88 H -0.0009 -0.0044 -0.0002 1346 ALA 88 HA -0.0010 -0.0036 0.0002 1347 ALA 88 HB1 -0.0010 -0.0050 -0.0002 1348 ALA 88 HB2 -0.0016 -0.0049 0.0006 1349 ALA 88 HB3 -0.0015 -0.0052 0.0003 1350 ILE 89 N -0.0017 -0.0030 0.0012 1351 ILE 89 CA -0.0021 -0.0027 0.0019 1352 ILE 89 C -0.0024 -0.0028 0.0024 1353 ILE 89 O -0.0023 -0.0025 0.0023 1354 ILE 89 CB -0.0019 -0.0018 0.0019 1355 ILE 89 CG1 -0.0023 -0.0015 0.0027 1356 ILE 89 CG2 -0.0016 -0.0013 0.0017 1357 ILE 89 CD1 -0.0022 -0.0007 0.0027 1358 ILE 89 H -0.0014 -0.0026 0.0009 1359 ILE 89 HA -0.0022 -0.0030 0.0020 1360 ILE 89 HB -0.0017 -0.0018 0.0017 1361 ILE 89 HG12 -0.0025 -0.0014 0.0029 1362 ILE 89 HG13 -0.0026 -0.0019 0.0029 1363 ILE 89 HG21 -0.0013 -0.0015 0.0011 1364 ILE 89 HG22 -0.0015 -0.0007 0.0017 1365 ILE 89 HG23 -0.0018 -0.0014 0.0019 1366 ILE 89 HD11 -0.0019 -0.0004 0.0024 1367 ILE 89 HD12 -0.0022 -0.0009 0.0026 1368 ILE 89 HD13 -0.0025 -0.0004 0.0032 1369 SER 90 N -0.0028 -0.0033 0.0028 1370 SER 90 CA -0.0032 -0.0035 0.0033 1371 SER 90 C -0.0035 -0.0029 0.0039 1372 SER 90 O -0.0037 -0.0028 0.0043 1373 SER 90 CB -0.0034 -0.0043 0.0035 1374 SER 90 OG -0.0035 -0.0047 0.0035 1375 SER 90 H -0.0029 -0.0035 0.0028 1376 SER 90 HA -0.0030 -0.0034 0.0031 1377 SER 90 HB2 -0.0033 -0.0046 0.0031 1378 SER 90 HB3 -0.0038 -0.0043 0.0040 1379 SER 90 HG -0.0038 -0.0051 0.0038 1380 THR 91 N -0.0024 -0.0003 0.0053 1381 THR 91 CA -0.0026 -0.0014 0.0034 1382 THR 91 C -0.0010 -0.0009 0.0017 1383 THR 91 O 0.0001 0.0001 0.0019 1384 THR 91 CB -0.0042 -0.0029 0.0030 1385 THR 91 OG1 -0.0040 -0.0027 0.0030 1386 THR 91 CG2 -0.0058 -0.0035 0.0045 1387 THR 91 H -0.0023 -0.0001 0.0055 1388 THR 91 HA -0.0028 -0.0015 0.0035 1389 THR 91 HB -0.0042 -0.0036 0.0015 1390 THR 91 HG1 -0.0043 -0.0035 0.0019 1391 THR 91 HG21 -0.0058 -0.0028 0.0060 1392 THR 91 HG22 -0.0059 -0.0035 0.0045 1393 THR 91 HG23 -0.0069 -0.0046 0.0041 1394 THR 92 N -0.0009 -0.0016 -0.0000 1395 THR 92 CA 0.0006 -0.0011 -0.0017 1396 THR 92 C 0.0003 -0.0021 -0.0033 1397 THR 92 O -0.0006 -0.0034 -0.0044 1398 THR 92 CB 0.0012 -0.0011 -0.0027 1399 THR 92 OG1 0.0025 -0.0009 -0.0046 1400 THR 92 CG2 -0.0002 -0.0024 -0.0031 1401 THR 92 H -0.0019 -0.0024 -0.0002 1402 THR 92 HA 0.0016 -0.0000 -0.0012 1403 THR 92 HB 0.0018 -0.0001 -0.0017 1404 THR 92 HG1 0.0020 -0.0018 -0.0056 1405 THR 92 HG21 0.0003 -0.0024 -0.0037 1406 THR 92 HG22 -0.0008 -0.0034 -0.0040 1407 THR 92 HG23 -0.0012 -0.0026 -0.0016 1408 PRO 93 N 0.0010 -0.0016 -0.0035 1409 PRO 93 CA 0.0009 -0.0025 -0.0050 1410 PRO 93 C 0.0015 -0.0030 -0.0071 1411 PRO 93 O 0.0021 -0.0026 -0.0075 1412 PRO 93 CB 0.0020 -0.0014 -0.0047 1413 PRO 93 CG 0.0021 -0.0003 -0.0026 1414 PRO 93 CD 0.0019 -0.0002 -0.0021 1415 PRO 93 HA -0.0004 -0.0034 -0.0047 1416 PRO 93 HB2 0.0033 -0.0008 -0.0058 1417 PRO 93 HB3 0.0015 -0.0020 -0.0050 1418 PRO 93 HG2 0.0033 0.0008 -0.0025 1419 PRO 93 HG3 0.0011 -0.0007 -0.0017 1420 PRO 93 HD2 0.0032 0.0007 -0.0023 1421 PRO 93 HD3 0.0012 -0.0001 -0.0005 1422 LEU 94 N 0.0012 -0.0038 -0.0085 1423 LEU 94 CA 0.0017 -0.0044 -0.0106 1424 LEU 94 C 0.0037 -0.0032 -0.0114 1425 LEU 94 O 0.0046 -0.0019 -0.0104 1426 LEU 94 CB 0.0012 -0.0055 -0.0118 1427 LEU 94 CG -0.0002 -0.0060 -0.0107 1428 LEU 94 CD1 0.0007 -0.0050 -0.0101 1429 LEU 94 CD2 -0.0014 -0.0076 -0.0118 1430 LEU 94 H 0.0007 -0.0041 -0.0081 1431 LEU 94 HA 0.0011 -0.0050 -0.0108 1432 LEU 94 HB2 0.0023 -0.0049 -0.0126 1433 LEU 94 HB3 0.0007 -0.0064 -0.0129 1434 LEU 94 HG -0.0009 -0.0060 -0.0093 1435 LEU 94 HD11 0.0010 -0.0041 -0.0087 1436 LEU 94 HD12 -0.0000 -0.0056 -0.0100 1437 LEU 94 HD13 0.0019 -0.0046 -0.0113 1438 LEU 94 HD21 -0.0020 -0.0083 -0.0122 1439 LEU 94 HD22 -0.0007 -0.0077 -0.0132 1440 LEU 94 HD23 -0.0023 -0.0080 -0.0110 1441 GLU 95 N 0.0042 -0.0035 -0.0131 1442 GLU 95 CA 0.0060 -0.0024 -0.0140 1443 GLU 95 C 0.0064 -0.0032 -0.0162 1444 GLU 95 O 0.0052 -0.0045 -0.0169 1445 GLU 95 CB 0.0067 -0.0014 -0.0129 1446 GLU 95 CG 0.0062 -0.0020 -0.0133 1447 GLU 95 CD 0.0044 -0.0030 -0.0122 1448 GLU 95 OE1 0.0040 -0.0024 -0.0104 1449 GLU 95 OE2 0.0033 -0.0043 -0.0131 1450 GLU 95 H 0.0034 -0.0045 -0.0138 1451 GLU 95 HA 0.0067 -0.0018 -0.0139 1452 GLU 95 HB2 0.0081 -0.0004 -0.0133 1453 GLU 95 HB3 0.0062 -0.0010 -0.0113 1454 GLU 95 HG2 0.0064 -0.0026 -0.0149 1455 GLU 95 HG3 0.0070 -0.0011 -0.0128 1456 ASN 96 N 0.0079 -0.0025 -0.0174 1457 ASN 96 CA 0.0084 -0.0031 -0.0195 1458 ASN 96 C 0.0087 -0.0030 -0.0198 1459 ASN 96 O 0.0095 -0.0018 -0.0188 1460 ASN 96 CB 0.0100 -0.0023 -0.0206 1461 ASN 96 CG 0.0115 -0.0007 -0.0197 1462 ASN 96 OD1 0.0125 -0.0000 -0.0202 1463 ASN 96 ND2 0.0116 0.0001 -0.0185 1464 ASN 96 OXT 0.0081 -0.0041 -0.0210 1465 ASN 96 H 0.0088 -0.0014 -0.0167 1466 ASN 96 HA 0.0073 -0.0042 -0.0200 1467 ASN 96 HB2 0.0104 -0.0027 -0.0222 1468 ASN 96 HB3 0.0096 -0.0026 -0.0206 1469 ASN 96 HD21 0.0108 -0.0005 -0.0181 1470 ASN 96 HD22 0.0126 0.0012 -0.0179 1471 SER 101 N 0.0040 -0.0018 0.0069 1472 SER 101 CA 0.0029 -0.0019 0.0073 1473 SER 101 C 0.0038 -0.0021 0.0073 1474 SER 101 O 0.0051 -0.0024 0.0077 1475 SER 101 CB 0.0021 -0.0028 0.0086 1476 SER 101 OG 0.0016 -0.0028 0.0087 1477 SER 101 H1 0.0046 -0.0012 0.0060 1478 SER 101 H2 0.0034 -0.0017 0.0069 1479 SER 101 H3 0.0049 -0.0023 0.0076 1480 SER 101 HA 0.0020 -0.0014 0.0065 1481 SER 101 HB2 0.0029 -0.0034 0.0094 1482 SER 101 HB3 0.0011 -0.0028 0.0088 1483 SER 101 HG 0.0013 -0.0033 0.0096 1484 TRP 102 N 0.0030 -0.0017 0.0069 1485 TRP 102 CA 0.0036 -0.0018 0.0069 1486 TRP 102 C 0.0049 -0.0011 0.0058 1487 TRP 102 O 0.0062 -0.0013 0.0058 1488 TRP 102 CB 0.0043 -0.0027 0.0083 1489 TRP 102 CG 0.0047 -0.0029 0.0085 1490 TRP 102 CD1 0.0061 -0.0028 0.0081 1491 TRP 102 CD2 0.0037 -0.0032 0.0091 1492 TRP 102 NE1 0.0060 -0.0030 0.0084 1493 TRP 102 CE2 0.0045 -0.0033 0.0090 1494 TRP 102 CE3 0.0021 -0.0035 0.0097 1495 TRP 102 CZ2 0.0039 -0.0036 0.0096 1496 TRP 102 CZ3 0.0015 -0.0038 0.0102 1497 TRP 102 CH2 0.0024 -0.0038 0.0101 1498 TRP 102 H 0.0019 -0.0014 0.0066 1499 TRP 102 HA 0.0027 -0.0016 0.0067 1500 TRP 102 HB2 0.0034 -0.0032 0.0090 1501 TRP 102 HB3 0.0053 -0.0029 0.0084 1502 TRP 102 HD1 0.0071 -0.0025 0.0076 1503 TRP 102 HE1 0.0068 -0.0029 0.0083 1504 TRP 102 HE3 0.0014 -0.0035 0.0097 1505 TRP 102 HZ2 0.0046 -0.0036 0.0095 1506 TRP 102 HZ3 0.0003 -0.0040 0.0106 1507 TRP 102 HH2 0.0019 -0.0040 0.0105 1508 GLU 103 N 0.0046 -0.0005 0.0048 1509 GLU 103 CA 0.0057 0.0002 0.0037 1510 GLU 103 C 0.0055 0.0007 0.0030 1511 GLU 103 O 0.0067 0.0008 0.0027 1512 GLU 103 CB 0.0055 0.0009 0.0027 1513 GLU 103 CG 0.0065 0.0017 0.0014 1514 GLU 103 CD 0.0056 0.0024 0.0004 1515 GLU 103 OE1 0.0041 0.0026 0.0004 1516 GLU 103 OE2 0.0064 0.0029 -0.0004 1517 GLU 103 H 0.0036 -0.0004 0.0049 1518 GLU 103 HA 0.0069 -0.0001 0.0041 1519 GLU 103 HB2 0.0059 0.0006 0.0031 1520 GLU 103 HB3 0.0043 0.0011 0.0025 1521 GLU 103 HG2 0.0076 0.0015 0.0016 1522 GLU 103 HG3 0.0067 0.0020 0.0010 1523 SER 104 N 0.0041 0.0010 0.0028 1524 SER 104 CA 0.0037 0.0015 0.0021 1525 SER 104 C 0.0038 0.0009 0.0029 1526 SER 104 O 0.0031 0.0012 0.0026 1527 SER 104 CB 0.0021 0.0020 0.0014 1528 SER 104 OG 0.0018 0.0022 0.0012 1529 SER 104 H 0.0032 0.0009 0.0030 1530 SER 104 HA 0.0046 0.0019 0.0013 1531 SER 104 HB2 0.0012 0.0016 0.0021 1532 SER 104 HB3 0.0021 0.0026 0.0005 1533 SER 104 HG 0.0027 0.0024 0.0008 1534 HIS 105 N 0.0046 0.0001 0.0040 1535 HIS 105 CA 0.0047 -0.0005 0.0048 1536 HIS 105 C 0.0056 -0.0001 0.0041 1537 HIS 105 O 0.0054 -0.0002 0.0044 1538 HIS 105 CB 0.0055 -0.0014 0.0061 1539 HIS 105 CG 0.0071 -0.0014 0.0060 1540 HIS 105 ND1 0.0074 -0.0011 0.0055 1541 HIS 105 CD2 0.0085 -0.0017 0.0063 1542 HIS 105 CE1 0.0089 -0.0012 0.0055 1543 HIS 105 NE2 0.0097 -0.0016 0.0059 1544 HIS 105 H 0.0052 -0.0001 0.0042 1545 HIS 105 HA 0.0035 -0.0005 0.0051 1546 HIS 105 HB2 0.0055 -0.0018 0.0067 1547 HIS 105 HB3 0.0047 -0.0017 0.0067 1548 HIS 105 HD2 0.0087 -0.0020 0.0067 1549 HIS 105 HE1 0.0095 -0.0010 0.0051 1550 HIS 105 HE2 0.0108 -0.0019 0.0062 1551 LYS 106 N 0.0067 0.0005 0.0032 1552 LYS 106 CA 0.0076 0.0010 0.0024 1553 LYS 106 C 0.0071 0.0019 0.0009 1554 LYS 106 O 0.0074 0.0024 0.0002 1555 LYS 106 CB 0.0094 0.0008 0.0024 1556 LYS 106 CG 0.0098 0.0006 0.0027 1557 LYS 106 CD 0.0094 0.0013 0.0016 1558 LYS 106 CE 0.0104 0.0021 0.0003 1559 LYS 106 NZ 0.0100 0.0029 -0.0008 1560 LYS 106 H 0.0068 0.0006 0.0030 1561 LYS 106 HA 0.0074 0.0007 0.0028 1562 LYS 106 HB2 0.0100 0.0014 0.0015 1563 LYS 106 HB3 0.0099 0.0002 0.0032 1564 LYS 106 HG2 0.0111 0.0004 0.0029 1565 LYS 106 HG3 0.0092 0.0000 0.0036 1566 LYS 106 HD2 0.0096 0.0011 0.0019 1567 LYS 106 HD3 0.0082 0.0016 0.0014 1568 LYS 106 HE2 0.0103 0.0023 0.0000 1569 LYS 106 HE3 0.0117 0.0019 0.0005 1570 LYS 106 HZ1 0.0105 0.0034 -0.0017 1571 LYS 106 HZ2 0.0087 0.0030 -0.0009 1572 LYS 106 HZ3 0.0103 0.0027 -0.0006 1573 SER 107 N 0.0022 0.0029 0.0027 1574 SER 107 CA 0.0021 0.0030 0.0025 1575 SER 107 C 0.0019 0.0030 0.0024 1576 SER 107 O 0.0017 0.0029 0.0024 1577 SER 107 CB 0.0022 0.0030 0.0026 1578 SER 107 OG 0.0024 0.0029 0.0028 1579 SER 107 H 0.0022 0.0027 0.0028 1580 SER 107 HA 0.0022 0.0032 0.0025 1581 SER 107 HB2 0.0021 0.0028 0.0026 1582 SER 107 HB3 0.0022 0.0031 0.0025 1583 SER 107 HG 0.0025 0.0028 0.0028 1584 GLY 108 N 0.0018 0.0031 0.0022 1585 GLY 108 CA 0.0015 0.0031 0.0021 1586 GLY 108 C 0.0015 0.0031 0.0021 1587 GLY 108 O 0.0013 0.0031 0.0019 1588 GLY 108 H 0.0019 0.0033 0.0022 1589 GLY 108 HA2 0.0015 0.0033 0.0020 1590 GLY 108 HA3 0.0014 0.0030 0.0021 1591 GLY 109 N 0.0016 0.0030 0.0022 1592 GLY 109 CA 0.0016 0.0030 0.0022 1593 GLY 109 C 0.0015 0.0028 0.0023 1594 GLY 109 O 0.0015 0.0026 0.0024 1595 GLY 109 H 0.0018 0.0030 0.0023 1596 GLY 109 HA2 0.0018 0.0031 0.0023 1597 GLY 109 HA3 0.0015 0.0031 0.0021 1598 GLU 110 N 0.0013 0.0027 0.0022 1599 GLU 110 CA 0.0011 0.0025 0.0023 1600 GLU 110 C 0.0009 0.0025 0.0022 1601 GLU 110 O 0.0008 0.0024 0.0021 1602 GLU 110 CB 0.0013 0.0024 0.0024 1603 GLU 110 CG 0.0015 0.0024 0.0026 1604 GLU 110 CD 0.0016 0.0024 0.0027 1605 GLU 110 OE1 0.0016 0.0022 0.0028 1606 GLU 110 OE2 0.0018 0.0025 0.0026 1607 GLU 110 H 0.0012 0.0028 0.0021 1608 GLU 110 HA 0.0012 0.0023 0.0024 1609 GLU 110 HB2 0.0012 0.0025 0.0023 1610 GLU 110 HB3 0.0012 0.0022 0.0025 1611 GLU 110 HG2 0.0016 0.0023 0.0027 1612 GLU 110 HG3 0.0016 0.0026 0.0025 1613 THR 111 N 0.0008 0.0026 0.0020 1614 THR 111 CA 0.0005 0.0026 0.0019 1615 THR 111 C 0.0003 0.0023 0.0019 1616 THR 111 O 0.0004 0.0021 0.0021 1617 THR 111 CB 0.0005 0.0027 0.0018 1618 THR 111 OG1 0.0006 0.0029 0.0017 1619 THR 111 CG2 0.0002 0.0028 0.0016 1620 THR 111 H 0.0009 0.0026 0.0021 1621 THR 111 HA 0.0005 0.0026 0.0018 1622 THR 111 HB 0.0004 0.0026 0.0018 1623 THR 111 HG1 0.0008 0.0029 0.0018 1624 THR 111 HG21 0.0001 0.0026 0.0016 1625 THR 111 HG22 0.0002 0.0029 0.0015 1626 THR 111 HG23 0.0002 0.0029 0.0015 1627 ARG 112 N 0.0002 0.0023 0.0019 1628 ARG 112 CA -0.0000 0.0020 0.0019 1629 ARG 112 C -0.0003 0.0020 0.0018 1630 ARG 112 O -0.0003 0.0022 0.0016 1631 ARG 112 CB 0.0000 0.0019 0.0020 1632 ARG 112 CG 0.0000 0.0021 0.0019 1633 ARG 112 CD -0.0000 0.0019 0.0020 1634 ARG 112 NE -0.0003 0.0018 0.0019 1635 ARG 112 CZ -0.0004 0.0016 0.0020 1636 ARG 112 NH1 -0.0003 0.0016 0.0021 1637 ARG 112 NH2 -0.0007 0.0015 0.0019 1638 ARG 112 H 0.0001 0.0024 0.0018 1639 ARG 112 HA 0.0000 0.0019 0.0020 1640 ARG 112 HB2 -0.0001 0.0017 0.0021 1641 ARG 112 HB3 0.0002 0.0019 0.0022 1642 ARG 112 HG2 0.0002 0.0022 0.0020 1643 ARG 112 HG3 -0.0001 0.0022 0.0018 1644 ARG 112 HD2 0.0001 0.0018 0.0021 1645 ARG 112 HD3 -0.0000 0.0020 0.0019 1646 ARG 112 HE -0.0004 0.0018 0.0019 1647 ARG 112 HH11 -0.0001 0.0017 0.0021 1648 ARG 112 HH12 -0.0004 0.0015 0.0021 1649 ARG 112 HH21 -0.0007 0.0015 0.0018 1650 ARG 112 HH22 -0.0007 0.0014 0.0019 1651 LEU 113 N -0.0006 0.0011 0.0012 1652 LEU 113 CA -0.0004 0.0008 0.0007 1653 LEU 113 C 0.0000 0.0012 0.0004 1654 LEU 113 O 0.0002 0.0010 0.0000 1655 LEU 113 CB -0.0007 0.0003 0.0008 1656 LEU 113 CG -0.0011 -0.0003 0.0008 1657 LEU 113 CD1 -0.0009 -0.0005 0.0004 1658 LEU 113 CD2 -0.0014 -0.0001 0.0014 1659 LEU 113 OXT 0.0002 0.0018 0.0007 1660 LEU 113 H -0.0007 0.0013 0.0015 1661 LEU 113 HA -0.0003 0.0006 0.0004 1662 LEU 113 HB2 -0.0009 0.0005 0.0012 1663 LEU 113 HB3 -0.0006 0.0002 0.0004 1664 LEU 113 HG -0.0012 -0.0006 0.0008 1665 LEU 113 HD11 -0.0007 -0.0002 0.0004 1666 LEU 113 HD12 -0.0006 -0.0005 -0.0000 1667 LEU 113 HD13 -0.0011 -0.0009 0.0004 1668 LEU 113 HD21 -0.0015 0.0000 0.0017 1669 LEU 113 HD22 -0.0012 0.0002 0.0015 1670 LEU 113 HD23 -0.0016 -0.0005 0.0015 1671 GLY 1 N 0.0066 0.0002 -0.0212 1672 GLY 1 CA 0.0044 -0.0007 -0.0194 1673 GLY 1 C 0.0057 0.0000 -0.0184 1674 GLY 1 O 0.0066 0.0003 -0.0206 1675 GLY 1 H1 0.0057 -0.0002 -0.0216 1676 GLY 1 H2 0.0086 0.0012 -0.0200 1677 GLY 1 H3 0.0071 0.0003 -0.0236 1678 GLY 1 HA2 0.0025 -0.0017 -0.0208 1679 GLY 1 HA3 0.0037 -0.0009 -0.0171 1680 GLY 2 N 0.0059 0.0003 -0.0152 1681 GLY 2 CA 0.0072 0.0009 -0.0140 1682 GLY 2 C 0.0084 0.0017 -0.0106 1683 GLY 2 O 0.0079 0.0016 -0.0089 1684 GLY 2 H 0.0052 0.0001 -0.0136 1685 GLY 2 HA2 0.0089 0.0017 -0.0157 1686 GLY 2 HA3 0.0054 0.0001 -0.0140 1687 SER 3 N 0.0101 0.0026 -0.0096 1688 SER 3 CA 0.0114 0.0034 -0.0064 1689 SER 3 C 0.0110 0.0033 -0.0047 1690 SER 3 O 0.0107 0.0030 -0.0064 1691 SER 3 CB 0.0148 0.0049 -0.0067 1692 SER 3 OG 0.0152 0.0050 -0.0089 1693 SER 3 H 0.0105 0.0027 -0.0111 1694 SER 3 HA 0.0103 0.0029 -0.0049 1695 SER 3 HB2 0.0160 0.0055 -0.0076 1696 SER 3 HB3 0.0156 0.0054 -0.0043 1697 SER 3 HG 0.0168 0.0058 -0.0080 1698 MET 4 N 0.0111 0.0035 -0.0014 1699 MET 4 CA 0.0107 0.0035 0.0005 1700 MET 4 C 0.0078 0.0020 -0.0001 1701 MET 4 O 0.0077 0.0019 -0.0020 1702 MET 4 CB 0.0134 0.0047 -0.0001 1703 MET 4 CG 0.0163 0.0061 0.0015 1704 MET 4 SD 0.0193 0.0075 0.0008 1705 MET 4 CE 0.0177 0.0069 0.0026 1706 MET 4 H 0.0114 0.0037 -0.0003 1707 MET 4 HA 0.0107 0.0036 0.0031 1708 MET 4 HB2 0.0138 0.0047 -0.0027 1709 MET 4 HB3 0.0128 0.0044 0.0008 1710 MET 4 HG2 0.0159 0.0061 0.0041 1711 MET 4 HG3 0.0169 0.0064 0.0005 1712 MET 4 HE1 0.0158 0.0059 0.0014 1713 MET 4 HE2 0.0194 0.0076 0.0025 1714 MET 4 HE3 0.0172 0.0068 0.0052 1715 ARG 5 N 0.0054 0.0010 0.0014 1716 ARG 5 CA 0.0024 -0.0004 0.0010 1717 ARG 5 C 0.0023 -0.0004 0.0028 1718 ARG 5 O 0.0031 0.0002 0.0056 1719 ARG 5 CB -0.0000 -0.0015 0.0022 1720 ARG 5 CG -0.0004 -0.0018 0.0001 1721 ARG 5 CD 0.0018 -0.0007 0.0010 1722 ARG 5 NE 0.0021 -0.0007 -0.0015 1723 ARG 5 CZ 0.0038 0.0001 -0.0011 1724 ARG 5 NH1 0.0053 0.0010 0.0017 1725 ARG 5 NH2 0.0040 0.0001 -0.0035 1726 ARG 5 H 0.0056 0.0012 0.0029 1727 ARG 5 HA 0.0022 -0.0007 -0.0016 1728 ARG 5 HB2 0.0005 -0.0011 0.0047 1729 ARG 5 HB3 -0.0021 -0.0025 0.0023 1730 ARG 5 HG2 -0.0027 -0.0028 0.0004 1731 ARG 5 HG3 -0.0000 -0.0018 -0.0025 1732 ARG 5 HD2 0.0040 0.0003 0.0014 1733 ARG 5 HD3 0.0010 -0.0009 0.0033 1734 ARG 5 HE 0.0011 -0.0013 -0.0036 1735 ARG 5 HH11 0.0052 0.0010 0.0035 1736 ARG 5 HH12 0.0066 0.0016 0.0019 1737 ARG 5 HH21 0.0029 -0.0006 -0.0056 1738 ARG 5 HH22 0.0052 0.0007 -0.0032 1739 PRO 6 N 0.0012 -0.0010 0.0012 1740 PRO 6 CA 0.0010 -0.0010 0.0027 1741 PRO 6 C -0.0018 -0.0022 0.0048 1742 PRO 6 O -0.0043 -0.0034 0.0036 1743 PRO 6 CB 0.0009 -0.0012 -0.0004 1744 PRO 6 CG 0.0011 -0.0013 -0.0033 1745 PRO 6 CD 0.0000 -0.0017 -0.0021 1746 PRO 6 HA 0.0029 0.0000 0.0041 1747 PRO 6 HB2 -0.0012 -0.0022 -0.0003 1748 PRO 6 HB3 0.0027 -0.0003 -0.0003 1749 PRO 6 HG2 -0.0004 -0.0021 -0.0052 1750 PRO 6 HG3 0.0033 -0.0003 -0.0043 1751 PRO 6 HD2 -0.0024 -0.0029 -0.0021 1752 PRO 6 HD3 0.0010 -0.0014 -0.0037 1753 PRO 7 N -0.0026 -0.0036 0.0021 1754 PRO 7 CA -0.0022 -0.0034 0.0018 1755 PRO 7 C -0.0018 -0.0030 0.0014 1756 PRO 7 O -0.0016 -0.0031 0.0011 1757 PRO 7 CB -0.0022 -0.0041 0.0014 1758 PRO 7 CG -0.0026 -0.0047 0.0016 1759 PRO 7 CD -0.0028 -0.0044 0.0019 1760 PRO 7 HA -0.0023 -0.0032 0.0020 1761 PRO 7 HB2 -0.0018 -0.0041 0.0009 1762 PRO 7 HB3 -0.0022 -0.0041 0.0013 1763 PRO 7 HG2 -0.0025 -0.0051 0.0013 1764 PRO 7 HG3 -0.0029 -0.0048 0.0019 1765 PRO 7 HD2 -0.0026 -0.0044 0.0017 1766 PRO 7 HD3 -0.0031 -0.0046 0.0023 1767 ILE 8 N -0.0016 -0.0024 0.0015 1768 ILE 8 CA -0.0011 -0.0019 0.0012 1769 ILE 8 C -0.0007 -0.0020 0.0006 1770 ILE 8 O -0.0007 -0.0019 0.0006 1771 ILE 8 CB -0.0011 -0.0012 0.0015 1772 ILE 8 CG1 -0.0016 -0.0011 0.0021 1773 ILE 8 CG2 -0.0007 -0.0007 0.0013 1774 ILE 8 CD1 -0.0017 -0.0005 0.0025 1775 ILE 8 H -0.0017 -0.0023 0.0017 1776 ILE 8 HA -0.0011 -0.0019 0.0011 1777 ILE 8 HB -0.0010 -0.0010 0.0015 1778 ILE 8 HG12 -0.0017 -0.0012 0.0022 1779 ILE 8 HG13 -0.0019 -0.0016 0.0023 1780 ILE 8 HG21 -0.0009 -0.0007 0.0014 1781 ILE 8 HG22 -0.0004 -0.0007 0.0009 1782 ILE 8 HG23 -0.0007 -0.0001 0.0015 1783 ILE 8 HD11 -0.0021 -0.0005 0.0030 1784 ILE 8 HD12 -0.0014 -0.0001 0.0025 1785 ILE 8 HD13 -0.0016 -0.0004 0.0025 1786 ILE 9 N -0.0004 -0.0023 0.0002 1787 ILE 9 CA -0.0000 -0.0024 -0.0004 1788 ILE 9 C 0.0004 -0.0018 -0.0006 1789 ILE 9 O 0.0007 -0.0015 -0.0008 1790 ILE 9 CB 0.0001 -0.0029 -0.0008 1791 ILE 9 CG1 -0.0003 -0.0034 -0.0006 1792 ILE 9 CG2 0.0004 -0.0033 -0.0013 1793 ILE 9 CD1 -0.0007 -0.0039 -0.0003 1794 ILE 9 H -0.0005 -0.0023 0.0002 1795 ILE 9 HA -0.0002 -0.0027 -0.0003 1796 ILE 9 HB 0.0004 -0.0026 -0.0010 1797 ILE 9 HG12 -0.0004 -0.0031 -0.0002 1798 ILE 9 HG13 -0.0001 -0.0037 -0.0009 1799 ILE 9 HG21 0.0007 -0.0030 -0.0015 1800 ILE 9 HG22 0.0004 -0.0037 -0.0016 1801 ILE 9 HG23 0.0001 -0.0036 -0.0011 1802 ILE 9 HD11 -0.0010 -0.0042 -0.0002 1803 ILE 9 HD12 -0.0009 -0.0036 0.0000 1804 ILE 9 HD13 -0.0005 -0.0042 -0.0007 1805 ILE 10 N 0.0004 -0.0016 -0.0006 1806 ILE 10 CA 0.0008 -0.0010 -0.0008 1807 ILE 10 C 0.0013 -0.0013 -0.0014 1808 ILE 10 O 0.0012 -0.0019 -0.0016 1809 ILE 10 CB 0.0007 -0.0007 -0.0005 1810 ILE 10 CG1 0.0003 -0.0005 0.0001 1811 ILE 10 CG2 0.0012 -0.0001 -0.0007 1812 ILE 10 CD1 -0.0000 -0.0007 0.0004 1813 ILE 10 H 0.0002 -0.0018 -0.0004 1814 ILE 10 HA 0.0009 -0.0006 -0.0007 1815 ILE 10 HB 0.0007 -0.0011 -0.0007 1816 ILE 10 HG12 0.0004 0.0000 0.0003 1817 ILE 10 HG13 0.0001 -0.0008 0.0003 1818 ILE 10 HG21 0.0011 0.0002 -0.0005 1819 ILE 10 HG22 0.0013 0.0003 -0.0007 1820 ILE 10 HG23 0.0015 -0.0002 -0.0012 1821 ILE 10 HD11 -0.0001 -0.0013 0.0003 1822 ILE 10 HD12 -0.0003 -0.0006 0.0008 1823 ILE 10 HD13 0.0002 -0.0005 0.0002 1824 HIS 11 N 0.0017 -0.0008 -0.0017 1825 HIS 11 CA 0.0021 -0.0010 -0.0023 1826 HIS 11 C 0.0024 -0.0005 -0.0025 1827 HIS 11 O 0.0026 0.0001 -0.0024 1828 HIS 11 CB 0.0024 -0.0010 -0.0026 1829 HIS 11 CG 0.0027 -0.0014 -0.0033 1830 HIS 11 ND1 0.0032 -0.0010 -0.0037 1831 HIS 11 CD2 0.0027 -0.0021 -0.0035 1832 HIS 11 CE1 0.0034 -0.0015 -0.0042 1833 HIS 11 NE2 0.0031 -0.0021 -0.0041 1834 HIS 11 H 0.0017 -0.0003 -0.0015 1835 HIS 11 HA 0.0020 -0.0015 -0.0024 1836 HIS 11 HB2 0.0021 -0.0013 -0.0024 1837 HIS 11 HB3 0.0026 -0.0005 -0.0026 1838 HIS 11 HD2 0.0023 -0.0025 -0.0033 1839 HIS 11 HE1 0.0038 -0.0014 -0.0046 1840 HIS 11 HE2 0.0032 -0.0026 -0.0044 1841 ARG 12 N 0.0025 -0.0007 -0.0027 1842 ARG 12 CA 0.0028 -0.0003 -0.0028 1843 ARG 12 C 0.0033 -0.0000 -0.0033 1844 ARG 12 O 0.0036 -0.0004 -0.0038 1845 ARG 12 CB 0.0028 -0.0007 -0.0030 1846 ARG 12 CG 0.0030 -0.0003 -0.0030 1847 ARG 12 CD 0.0029 -0.0007 -0.0031 1848 ARG 12 NE 0.0032 -0.0003 -0.0032 1849 ARG 12 CZ 0.0034 -0.0005 -0.0036 1850 ARG 12 NH1 0.0034 -0.0011 -0.0040 1851 ARG 12 NH2 0.0036 -0.0001 -0.0037 1852 ARG 12 H 0.0023 -0.0012 -0.0027 1853 ARG 12 HA 0.0027 0.0001 -0.0025 1854 ARG 12 HB2 0.0024 -0.0010 -0.0027 1855 ARG 12 HB3 0.0030 -0.0011 -0.0034 1856 ARG 12 HG2 0.0034 -0.0000 -0.0034 1857 ARG 12 HG3 0.0028 0.0001 -0.0027 1858 ARG 12 HD2 0.0025 -0.0009 -0.0028 1859 ARG 12 HD3 0.0030 -0.0011 -0.0035 1860 ARG 12 HE 0.0031 0.0002 -0.0030 1861 ARG 12 HH11 0.0033 -0.0015 -0.0039 1862 ARG 12 HH12 0.0036 -0.0013 -0.0043 1863 ARG 12 HH21 0.0036 0.0004 -0.0034 1864 ARG 12 HH22 0.0038 -0.0003 -0.0040 1865 ALA 13 N 0.0039 0.0006 -0.0035 1866 ALA 13 CA 0.0045 0.0010 -0.0039 1867 ALA 13 C 0.0050 0.0012 -0.0044 1868 ALA 13 O 0.0055 0.0018 -0.0045 1869 ALA 13 CB 0.0046 0.0019 -0.0035 1870 ALA 13 H 0.0036 0.0009 -0.0030 1871 ALA 13 HA 0.0047 0.0007 -0.0042 1872 ALA 13 HB1 0.0051 0.0022 -0.0039 1873 ALA 13 HB2 0.0044 0.0022 -0.0032 1874 ALA 13 HB3 0.0043 0.0018 -0.0033 1875 GLY 14 N 0.0050 0.0005 -0.0046 1876 GLY 14 CA 0.0054 0.0006 -0.0051 1877 GLY 14 C 0.0053 0.0010 -0.0047 1878 GLY 14 O 0.0056 0.0012 -0.0050 1879 GLY 14 H 0.0046 -0.0000 -0.0045 1880 GLY 14 HA2 0.0054 -0.0001 -0.0053 1881 GLY 14 HA3 0.0059 0.0009 -0.0054 1882 LYS 15 N 0.0048 0.0013 -0.0040 1883 LYS 15 CA 0.0046 0.0018 -0.0036 1884 LYS 15 C 0.0038 0.0013 -0.0031 1885 LYS 15 O 0.0037 0.0009 -0.0032 1886 LYS 15 CB 0.0047 0.0027 -0.0032 1887 LYS 15 CG 0.0047 0.0028 -0.0031 1888 LYS 15 CD 0.0047 0.0037 -0.0027 1889 LYS 15 CE 0.0053 0.0043 -0.0030 1890 LYS 15 NZ 0.0054 0.0052 -0.0027 1891 LYS 15 H 0.0045 0.0012 -0.0038 1892 LYS 15 HA 0.0049 0.0017 -0.0039 1893 LYS 15 HB2 0.0043 0.0029 -0.0027 1894 LYS 15 HB3 0.0052 0.0030 -0.0035 1895 LYS 15 HG2 0.0051 0.0027 -0.0036 1896 LYS 15 HG3 0.0042 0.0023 -0.0029 1897 LYS 15 HD2 0.0047 0.0037 -0.0027 1898 LYS 15 HD3 0.0043 0.0038 -0.0022 1899 LYS 15 HE2 0.0052 0.0044 -0.0029 1900 LYS 15 HE3 0.0057 0.0041 -0.0035 1901 LYS 15 HZ1 0.0059 0.0056 -0.0029 1902 LYS 15 HZ2 0.0050 0.0054 -0.0022 1903 LYS 15 HZ3 0.0055 0.0051 -0.0028 1904 LYS 16 N 0.0034 0.0015 -0.0025 1905 LYS 16 CA 0.0027 0.0012 -0.0020 1906 LYS 16 C 0.0023 0.0012 -0.0015 1907 LYS 16 O 0.0026 0.0015 -0.0017 1908 LYS 16 CB 0.0025 0.0017 -0.0015 1909 LYS 16 CG 0.0028 0.0026 -0.0013 1910 LYS 16 CD 0.0026 0.0031 -0.0008 1911 LYS 16 CE 0.0028 0.0040 -0.0006 1912 LYS 16 NZ 0.0036 0.0044 -0.0012 1913 LYS 16 H 0.0036 0.0019 -0.0025 1914 LYS 16 HA 0.0026 0.0005 -0.0022 1915 LYS 16 HB2 0.0020 0.0015 -0.0011 1916 LYS 16 HB3 0.0028 0.0016 -0.0018 1917 LYS 16 HG2 0.0033 0.0029 -0.0017 1918 LYS 16 HG3 0.0025 0.0027 -0.0010 1919 LYS 16 HD2 0.0020 0.0029 -0.0004 1920 LYS 16 HD3 0.0028 0.0029 -0.0011 1921 LYS 16 HE2 0.0027 0.0042 -0.0004 1922 LYS 16 HE3 0.0026 0.0043 -0.0002 1923 LYS 16 HZ1 0.0037 0.0043 -0.0013 1924 LYS 16 HZ2 0.0038 0.0050 -0.0010 1925 LYS 16 HZ3 0.0038 0.0040 -0.0016 1926 TYR 17 N 0.0016 0.0009 -0.0010 1927 TYR 17 CA 0.0012 0.0009 -0.0006 1928 TYR 17 C 0.0010 0.0017 0.0000 1929 TYR 17 O 0.0007 0.0019 0.0005 1930 TYR 17 CB 0.0006 0.0001 -0.0003 1931 TYR 17 CG 0.0007 -0.0007 -0.0009 1932 TYR 17 CD1 0.0008 -0.0009 -0.0011 1933 TYR 17 CD2 0.0008 -0.0012 -0.0012 1934 TYR 17 CE1 0.0010 -0.0016 -0.0017 1935 TYR 17 CE2 0.0009 -0.0019 -0.0017 1936 TYR 17 CZ 0.0010 -0.0021 -0.0020 1937 TYR 17 OH 0.0012 -0.0028 -0.0025 1938 TYR 17 H 0.0015 0.0007 -0.0009 1939 TYR 17 HA 0.0014 0.0009 -0.0008 1940 TYR 17 HB2 0.0003 0.0003 0.0000 1941 TYR 17 HB3 0.0003 0.0000 -0.0001 1942 TYR 17 HD1 0.0008 -0.0005 -0.0009 1943 TYR 17 HD2 0.0007 -0.0010 -0.0010 1944 TYR 17 HE1 0.0011 -0.0017 -0.0018 1945 TYR 17 HE2 0.0009 -0.0023 -0.0020 1946 TYR 17 HH 0.0008 -0.0033 -0.0023 1947 GLY 18 N 0.0013 0.0023 -0.0000 1948 GLY 18 CA 0.0013 0.0031 0.0005 1949 GLY 18 C 0.0006 0.0031 0.0012 1950 GLY 18 O 0.0006 0.0037 0.0016 1951 GLY 18 H 0.0016 0.0021 -0.0004 1952 GLY 18 HA2 0.0016 0.0034 0.0003 1953 GLY 18 HA3 0.0015 0.0034 0.0005 1954 PHE 19 N -0.0011 0.0012 0.0020 1955 PHE 19 CA -0.0013 0.0011 0.0025 1956 PHE 19 C -0.0012 0.0012 0.0025 1957 PHE 19 O -0.0012 0.0011 0.0020 1958 PHE 19 CB -0.0017 0.0007 0.0027 1959 PHE 19 CG -0.0020 0.0003 0.0024 1960 PHE 19 CD1 -0.0020 0.0001 0.0019 1961 PHE 19 CD2 -0.0022 0.0001 0.0027 1962 PHE 19 CE1 -0.0022 -0.0003 0.0016 1963 PHE 19 CE2 -0.0024 -0.0003 0.0025 1964 PHE 19 CZ -0.0025 -0.0005 0.0019 1965 PHE 19 H -0.0013 0.0009 0.0017 1966 PHE 19 HA -0.0012 0.0014 0.0028 1967 PHE 19 HB2 -0.0018 0.0007 0.0032 1968 PHE 19 HB3 -0.0018 0.0006 0.0026 1969 PHE 19 HD1 -0.0018 0.0002 0.0016 1970 PHE 19 HD2 -0.0022 0.0002 0.0032 1971 PHE 19 HE1 -0.0022 -0.0005 0.0011 1972 PHE 19 HE2 -0.0026 -0.0005 0.0027 1973 PHE 19 HZ -0.0026 -0.0008 0.0017 1974 THR 20 N -0.0012 0.0014 0.0030 1975 THR 20 CA -0.0011 0.0016 0.0031 1976 THR 20 C -0.0015 0.0012 0.0033 1977 THR 20 O -0.0017 0.0011 0.0038 1978 THR 20 CB -0.0008 0.0021 0.0035 1979 THR 20 OG1 -0.0005 0.0024 0.0032 1980 THR 20 CG2 -0.0007 0.0022 0.0036 1981 THR 20 H -0.0012 0.0015 0.0033 1982 THR 20 HA -0.0010 0.0016 0.0026 1983 THR 20 HB -0.0010 0.0020 0.0039 1984 THR 20 HG1 -0.0006 0.0023 0.0031 1985 THR 20 HG21 -0.0005 0.0023 0.0032 1986 THR 20 HG22 -0.0010 0.0019 0.0036 1987 THR 20 HG23 -0.0006 0.0025 0.0039 1988 LEU 21 N -0.0016 0.0009 0.0030 1989 LEU 21 CA -0.0019 0.0006 0.0032 1990 LEU 21 C -0.0018 0.0008 0.0035 1991 LEU 21 O -0.0018 0.0008 0.0033 1992 LEU 21 CB -0.0021 0.0002 0.0027 1993 LEU 21 CG -0.0026 -0.0003 0.0029 1994 LEU 21 CD1 -0.0027 -0.0003 0.0035 1995 LEU 21 CD2 -0.0027 -0.0007 0.0024 1996 LEU 21 H -0.0014 0.0010 0.0026 1997 LEU 21 HA -0.0021 0.0004 0.0035 1998 LEU 21 HB2 -0.0020 0.0002 0.0024 1999 LEU 21 HB3 -0.0020 0.0003 0.0026 2000 LEU 21 HG -0.0026 -0.0004 0.0029 2001 LEU 21 HD11 -0.0030 -0.0007 0.0036 2002 LEU 21 HD12 -0.0027 -0.0003 0.0034 2003 LEU 21 HD13 -0.0026 -0.0001 0.0038 2004 LEU 21 HD21 -0.0027 -0.0006 0.0024 2005 LEU 21 HD22 -0.0030 -0.0010 0.0025 2006 LEU 21 HD23 -0.0026 -0.0006 0.0020 2007 ARG 22 N -0.0018 0.0010 0.0041 2008 ARG 22 CA -0.0018 0.0012 0.0045 2009 ARG 22 C -0.0021 0.0009 0.0046 2010 ARG 22 O -0.0024 0.0005 0.0047 2011 ARG 22 CB -0.0017 0.0014 0.0051 2012 ARG 22 CG -0.0015 0.0019 0.0053 2013 ARG 22 CD -0.0010 0.0023 0.0050 2014 ARG 22 NE -0.0008 0.0028 0.0054 2015 ARG 22 CZ -0.0004 0.0032 0.0052 2016 ARG 22 NH1 -0.0003 0.0032 0.0046 2017 ARG 22 NH2 -0.0002 0.0036 0.0055 2018 ARG 22 H -0.0019 0.0010 0.0043 2019 ARG 22 HA -0.0015 0.0015 0.0043 2020 ARG 22 HB2 -0.0017 0.0015 0.0050 2021 ARG 22 HB3 -0.0020 0.0012 0.0054 2022 ARG 22 HG2 -0.0015 0.0020 0.0058 2023 ARG 22 HG3 -0.0015 0.0018 0.0053 2024 ARG 22 HD2 -0.0010 0.0023 0.0046 2025 ARG 22 HD3 -0.0010 0.0023 0.0049 2026 ARG 22 HE -0.0009 0.0028 0.0058 2027 ARG 22 HH11 -0.0004 0.0028 0.0043 2028 ARG 22 HH12 0.0000 0.0035 0.0044 2029 ARG 22 HH21 -0.0003 0.0036 0.0060 2030 ARG 22 HH22 0.0001 0.0039 0.0054 2031 ALA 23 N -0.0019 0.0010 0.0045 2032 ALA 23 CA -0.0022 0.0007 0.0046 2033 ALA 23 C -0.0023 0.0008 0.0053 2034 ALA 23 O -0.0021 0.0012 0.0055 2035 ALA 23 CB -0.0020 0.0008 0.0042 2036 ALA 23 H -0.0017 0.0013 0.0044 2037 ALA 23 HA -0.0025 0.0003 0.0045 2038 ALA 23 HB1 -0.0018 0.0012 0.0043 2039 ALA 23 HB2 -0.0020 0.0007 0.0038 2040 ALA 23 HB3 -0.0022 0.0006 0.0043 2041 ILE 24 N -0.0027 0.0004 0.0055 2042 ILE 24 CA -0.0028 0.0004 0.0061 2043 ILE 24 C -0.0031 0.0001 0.0062 2044 ILE 24 O -0.0033 -0.0003 0.0058 2045 ILE 24 CB -0.0030 0.0004 0.0065 2046 ILE 24 CG1 -0.0033 -0.0001 0.0063 2047 ILE 24 CG2 -0.0027 0.0008 0.0065 2048 ILE 24 CD1 -0.0036 -0.0003 0.0068 2049 ILE 24 H -0.0029 0.0001 0.0053 2050 ILE 24 HA -0.0026 0.0008 0.0062 2051 ILE 24 HB -0.0031 0.0004 0.0070 2052 ILE 24 HG12 -0.0032 -0.0001 0.0060 2053 ILE 24 HG13 -0.0035 -0.0004 0.0062 2054 ILE 24 HG21 -0.0026 0.0008 0.0061 2055 ILE 24 HG22 -0.0024 0.0011 0.0067 2056 ILE 24 HG23 -0.0028 0.0007 0.0068 2057 ILE 24 HD11 -0.0038 -0.0006 0.0067 2058 ILE 24 HD12 -0.0034 0.0000 0.0070 2059 ILE 24 HD13 -0.0037 -0.0004 0.0072 2060 ARG 25 N 0.0000 -0.0023 0.0059 2061 ARG 25 CA -0.0001 -0.0007 0.0035 2062 ARG 25 C 0.0003 -0.0010 0.0035 2063 ARG 25 O 0.0023 -0.0021 0.0027 2064 ARG 25 CB 0.0018 -0.0006 0.0011 2065 ARG 25 CG 0.0011 0.0004 0.0003 2066 ARG 25 CD 0.0030 0.0005 -0.0022 2067 ARG 25 NE 0.0023 0.0016 -0.0030 2068 ARG 25 CZ 0.0035 0.0020 -0.0052 2069 ARG 25 NH1 0.0055 0.0015 -0.0069 2070 ARG 25 NH2 0.0028 0.0030 -0.0058 2071 ARG 25 H 0.0012 -0.0038 0.0066 2072 ARG 25 HA -0.0019 0.0008 0.0034 2073 ARG 25 HB2 0.0034 -0.0023 0.0015 2074 ARG 25 HB3 0.0021 0.0002 -0.0006 2075 ARG 25 HG2 -0.0006 0.0020 0.0000 2076 ARG 25 HG3 0.0009 -0.0004 0.0019 2077 ARG 25 HD2 0.0046 -0.0011 -0.0018 2078 ARG 25 HD3 0.0032 0.0013 -0.0037 2079 ARG 25 HE 0.0009 0.0020 -0.0018 2080 ARG 25 HH11 0.0060 0.0008 -0.0065 2081 ARG 25 HH12 0.0064 0.0019 -0.0086 2082 ARG 25 HH21 0.0014 0.0034 -0.0046 2083 ARG 25 HH22 0.0038 0.0033 -0.0075 2084 VAL 26 N -0.0017 0.0000 0.0045 2085 VAL 26 CA -0.0016 -0.0002 0.0046 2086 VAL 26 C -0.0013 0.0013 0.0020 2087 VAL 26 O -0.0027 0.0032 0.0009 2088 VAL 26 CB -0.0039 0.0004 0.0067 2089 VAL 26 CG1 -0.0038 -0.0015 0.0094 2090 VAL 26 CG2 -0.0061 0.0023 0.0066 2091 VAL 26 H -0.0033 0.0009 0.0051 2092 VAL 26 HA -0.0001 -0.0018 0.0052 2093 VAL 26 HB -0.0041 0.0008 0.0063 2094 VAL 26 HG11 -0.0056 -0.0010 0.0109 2095 VAL 26 HG12 -0.0030 -0.0023 0.0096 2096 VAL 26 HG13 -0.0027 -0.0026 0.0097 2097 VAL 26 HG21 -0.0077 0.0028 0.0079 2098 VAL 26 HG22 -0.0061 0.0036 0.0046 2099 VAL 26 HG23 -0.0061 0.0019 0.0072 2100 TYR 27 N 0.0006 0.0003 0.0011 2101 TYR 27 CA 0.0011 0.0015 -0.0014 2102 TYR 27 C -0.0005 0.0026 -0.0010 2103 TYR 27 O -0.0010 0.0017 0.0010 2104 TYR 27 CB 0.0037 0.0001 -0.0026 2105 TYR 27 CG 0.0053 -0.0005 -0.0036 2106 TYR 27 CD1 0.0062 -0.0023 -0.0020 2107 TYR 27 CD2 0.0059 0.0007 -0.0062 2108 TYR 27 CE1 0.0077 -0.0029 -0.0029 2109 TYR 27 CE2 0.0074 0.0001 -0.0071 2110 TYR 27 CZ 0.0082 -0.0017 -0.0055 2111 TYR 27 OH 0.0097 -0.0023 -0.0064 2112 TYR 27 H 0.0017 -0.0012 0.0021 2113 TYR 27 HA 0.0006 0.0028 -0.0027 2114 TYR 27 HB2 0.0043 -0.0013 -0.0011 2115 TYR 27 HB3 0.0040 0.0010 -0.0042 2116 TYR 27 HD1 0.0058 -0.0033 0.0000 2117 TYR 27 HD2 0.0052 0.0021 -0.0075 2118 TYR 27 HE1 0.0084 -0.0043 -0.0017 2119 TYR 27 HE2 0.0078 0.0011 -0.0091 2120 TYR 27 HH 0.0089 -0.0011 -0.0071 2121 MET 28 N -0.0012 0.0044 -0.0029 2122 MET 28 CA -0.0027 0.0056 -0.0028 2123 MET 28 C -0.0016 0.0062 -0.0051 2124 MET 28 O -0.0028 0.0080 -0.0063 2125 MET 28 CB -0.0052 0.0076 -0.0027 2126 MET 28 CG -0.0065 0.0072 -0.0004 2127 MET 28 SD -0.0095 0.0096 -0.0002 2128 MET 28 CE -0.0109 0.0103 0.0004 2129 MET 28 H -0.0007 0.0051 -0.0045 2130 MET 28 HA -0.0029 0.0046 -0.0010 2131 MET 28 HB2 -0.0050 0.0086 -0.0044 2132 MET 28 HB3 -0.0063 0.0085 -0.0026 2133 MET 28 HG2 -0.0066 0.0062 0.0013 2134 MET 28 HG3 -0.0055 0.0064 -0.0005 2135 MET 28 HE1 -0.0107 0.0090 0.0021 2136 MET 28 HE2 -0.0102 0.0108 -0.0012 2137 MET 28 HE3 -0.0128 0.0117 0.0008 2138 GLY 29 N 0.0007 0.0046 -0.0056 2139 GLY 29 CA 0.0020 0.0050 -0.0078 2140 GLY 29 C 0.0046 0.0036 -0.0090 2141 GLY 29 O 0.0056 0.0021 -0.0079 2142 GLY 29 H 0.0016 0.0032 -0.0046 2143 GLY 29 HA2 0.0017 0.0047 -0.0070 2144 GLY 29 HA3 0.0011 0.0066 -0.0092 2145 ASP 30 N 0.0057 0.0042 -0.0113 2146 ASP 30 CA 0.0083 0.0030 -0.0127 2147 ASP 30 C 0.0087 0.0037 -0.0144 2148 ASP 30 O 0.0105 0.0024 -0.0147 2149 ASP 30 CB 0.0093 0.0033 -0.0144 2150 ASP 30 CG 0.0119 0.0023 -0.0162 2151 ASP 30 OD1 0.0135 0.0003 -0.0153 2152 ASP 30 OD2 0.0123 0.0034 -0.0184 2153 ASP 30 H 0.0048 0.0054 -0.0120 2154 ASP 30 HA 0.0092 0.0013 -0.0113 2155 ASP 30 HB2 0.0092 0.0026 -0.0132 2156 ASP 30 HB3 0.0082 0.0049 -0.0156 2157 SER 31 N 0.0069 0.0027 -0.0192 2158 SER 31 CA 0.0072 0.0034 -0.0209 2159 SER 31 C 0.0070 0.0024 -0.0188 2160 SER 31 O 0.0067 0.0013 -0.0161 2161 SER 31 CB 0.0052 0.0061 -0.0224 2162 SER 31 OG 0.0049 0.0071 -0.0236 2163 SER 31 H 0.0054 0.0040 -0.0188 2164 SER 31 HA 0.0090 0.0026 -0.0226 2165 SER 31 HB2 0.0035 0.0069 -0.0208 2166 SER 31 HB3 0.0058 0.0065 -0.0242 2167 SER 31 HG 0.0063 0.0058 -0.0238 2168 ASP 32 N 0.0072 0.0030 -0.0201 2169 ASP 32 CA 0.0070 0.0021 -0.0183 2170 ASP 32 C 0.0044 0.0037 -0.0164 2171 ASP 32 O 0.0037 0.0041 -0.0159 2172 ASP 32 CB 0.0082 0.0022 -0.0204 2173 ASP 32 CG 0.0094 0.0002 -0.0190 2174 ASP 32 OD1 0.0113 -0.0019 -0.0184 2175 ASP 32 OD2 0.0085 0.0008 -0.0185 2176 ASP 32 H 0.0074 0.0039 -0.0222 2177 ASP 32 HA 0.0081 0.0003 -0.0168 2178 ASP 32 HB2 0.0095 0.0020 -0.0224 2179 ASP 32 HB3 0.0067 0.0039 -0.0210 2180 VAL 33 N 0.0029 0.0046 -0.0155 2181 VAL 33 CA 0.0003 0.0061 -0.0136 2182 VAL 33 C 0.0001 0.0045 -0.0103 2183 VAL 33 O 0.0008 0.0032 -0.0090 2184 VAL 33 CB -0.0014 0.0080 -0.0142 2185 VAL 33 CG1 -0.0002 0.0069 -0.0141 2186 VAL 33 CG2 -0.0039 0.0092 -0.0118 2187 VAL 33 H 0.0035 0.0043 -0.0160 2188 VAL 33 HA -0.0003 0.0070 -0.0143 2189 VAL 33 HB -0.0015 0.0093 -0.0163 2190 VAL 33 HG11 -0.0014 0.0082 -0.0146 2191 VAL 33 HG12 -0.0000 0.0055 -0.0119 2192 VAL 33 HG13 0.0016 0.0061 -0.0158 2193 VAL 33 HG21 -0.0051 0.0106 -0.0123 2194 VAL 33 HG22 -0.0047 0.0100 -0.0119 2195 VAL 33 HG23 -0.0038 0.0079 -0.0096 2196 TYR 34 N -0.0009 0.0047 -0.0089 2197 TYR 34 CA -0.0012 0.0033 -0.0058 2198 TYR 34 C -0.0034 0.0047 -0.0043 2199 TYR 34 O -0.0041 0.0062 -0.0059 2200 TYR 34 CB 0.0011 0.0009 -0.0054 2201 TYR 34 CG 0.0019 0.0011 -0.0071 2202 TYR 34 CD1 0.0010 0.0012 -0.0058 2203 TYR 34 CD2 0.0036 0.0010 -0.0100 2204 TYR 34 CE1 0.0017 0.0014 -0.0074 2205 TYR 34 CE2 0.0043 0.0011 -0.0116 2206 TYR 34 CZ 0.0034 0.0013 -0.0103 2207 TYR 34 OH 0.0041 0.0015 -0.0118 2208 TYR 34 H -0.0014 0.0059 -0.0101 2209 TYR 34 HA -0.0015 0.0030 -0.0046 2210 TYR 34 HB2 0.0008 -0.0001 -0.0030 2211 TYR 34 HB3 0.0026 -0.0001 -0.0062 2212 TYR 34 HD1 -0.0003 0.0013 -0.0035 2213 TYR 34 HD2 0.0043 0.0008 -0.0111 2214 TYR 34 HE1 0.0010 0.0015 -0.0063 2215 TYR 34 HE2 0.0056 0.0011 -0.0139 2216 TYR 34 HH 0.0041 0.0026 -0.0139 2217 THR 35 N -0.0046 0.0043 -0.0014 2218 THR 35 CA -0.0068 0.0055 0.0002 2219 THR 35 C -0.0060 0.0037 0.0022 2220 THR 35 O -0.0049 0.0017 0.0039 2221 THR 35 CB -0.0089 0.0064 0.0022 2222 THR 35 OG1 -0.0080 0.0056 0.0023 2223 THR 35 CG2 -0.0110 0.0092 0.0009 2224 THR 35 H -0.0041 0.0032 -0.0004 2225 THR 35 HA -0.0074 0.0069 -0.0014 2226 THR 35 HB -0.0095 0.0058 0.0044 2227 THR 35 HG1 -0.0088 0.0069 0.0012 2228 THR 35 HG21 -0.0126 0.0098 0.0024 2229 THR 35 HG22 -0.0104 0.0098 -0.0013 2230 THR 35 HG23 -0.0116 0.0098 0.0007 2231 VAL 36 N -0.0066 0.0044 0.0019 2232 VAL 36 CA -0.0060 0.0028 0.0037 2233 VAL 36 C -0.0079 0.0029 0.0069 2234 VAL 36 O -0.0098 0.0045 0.0074 2235 VAL 36 CB -0.0058 0.0035 0.0022 2236 VAL 36 CG1 -0.0047 0.0015 0.0038 2237 VAL 36 CG2 -0.0043 0.0038 -0.0011 2238 VAL 36 H -0.0075 0.0060 0.0005 2239 VAL 36 HA -0.0042 0.0010 0.0039 2240 VAL 36 HB -0.0077 0.0051 0.0024 2241 VAL 36 HG11 -0.0047 0.0020 0.0028 2242 VAL 36 HG12 -0.0028 -0.0001 0.0035 2243 VAL 36 HG13 -0.0058 0.0013 0.0062 2244 VAL 36 HG21 -0.0052 0.0052 -0.0022 2245 VAL 36 HG22 -0.0025 0.0022 -0.0014 2246 VAL 36 HG23 -0.0043 0.0044 -0.0021 2247 HIS 37 N -0.0050 -0.0003 0.0053 2248 HIS 37 CA -0.0051 -0.0004 0.0051 2249 HIS 37 C -0.0047 0.0000 0.0049 2250 HIS 37 O -0.0044 0.0004 0.0048 2251 HIS 37 CB -0.0052 -0.0006 0.0057 2252 HIS 37 CG -0.0056 -0.0010 0.0059 2253 HIS 37 ND1 -0.0058 -0.0014 0.0056 2254 HIS 37 CD2 -0.0058 -0.0012 0.0065 2255 HIS 37 CE1 -0.0061 -0.0017 0.0059 2256 HIS 37 NE2 -0.0061 -0.0016 0.0065 2257 HIS 37 H -0.0048 -0.0001 0.0056 2258 HIS 37 HA -0.0052 -0.0007 0.0048 2259 HIS 37 HB2 -0.0051 -0.0003 0.0061 2260 HIS 37 HB3 -0.0053 -0.0006 0.0056 2261 HIS 37 HD2 -0.0057 -0.0010 0.0069 2262 HIS 37 HE1 -0.0064 -0.0021 0.0058 2263 HIS 37 HE2 -0.0063 -0.0018 0.0069 2264 HIS 38 N -0.0047 -0.0000 0.0048 2265 HIS 38 CA -0.0044 0.0004 0.0046 2266 HIS 38 C -0.0045 0.0003 0.0049 2267 HIS 38 O -0.0048 -0.0000 0.0050 2268 HIS 38 CB -0.0044 0.0003 0.0039 2269 HIS 38 CG -0.0043 0.0004 0.0036 2270 HIS 38 ND1 -0.0040 0.0008 0.0036 2271 HIS 38 CD2 -0.0045 0.0001 0.0033 2272 HIS 38 CE1 -0.0040 0.0007 0.0034 2273 HIS 38 NE2 -0.0043 0.0003 0.0032 2274 HIS 38 H -0.0050 -0.0003 0.0049 2275 HIS 38 HA -0.0042 0.0007 0.0048 2276 HIS 38 HB2 -0.0046 0.0000 0.0038 2277 HIS 38 HB3 -0.0041 0.0006 0.0038 2278 HIS 38 HD2 -0.0048 -0.0003 0.0032 2279 HIS 38 HE1 -0.0038 0.0010 0.0033 2280 HIS 38 HE2 -0.0044 0.0001 0.0031 2281 MET 39 N -0.0042 0.0007 0.0048 2282 MET 39 CA -0.0042 0.0007 0.0051 2283 MET 39 C -0.0039 0.0011 0.0047 2284 MET 39 O -0.0036 0.0015 0.0046 2285 MET 39 CB -0.0041 0.0009 0.0058 2286 MET 39 CG -0.0044 0.0005 0.0062 2287 MET 39 SD -0.0044 0.0007 0.0070 2288 MET 39 CE -0.0040 0.0013 0.0071 2289 MET 39 H -0.0039 0.0010 0.0047 2290 MET 39 HA -0.0044 0.0004 0.0050 2291 MET 39 HB2 -0.0039 0.0012 0.0058 2292 MET 39 HB3 -0.0041 0.0010 0.0059 2293 MET 39 HG2 -0.0047 0.0002 0.0060 2294 MET 39 HG3 -0.0044 0.0005 0.0061 2295 MET 39 HE1 -0.0039 0.0014 0.0075 2296 MET 39 HE2 -0.0037 0.0015 0.0068 2297 MET 39 HE3 -0.0040 0.0012 0.0070 2298 VAL 40 N -0.0040 0.0010 0.0047 2299 VAL 40 CA -0.0037 0.0013 0.0043 2300 VAL 40 C -0.0034 0.0017 0.0048 2301 VAL 40 O -0.0035 0.0017 0.0052 2302 VAL 40 CB -0.0039 0.0010 0.0041 2303 VAL 40 CG1 -0.0041 0.0007 0.0046 2304 VAL 40 CG2 -0.0036 0.0014 0.0038 2305 VAL 40 H -0.0042 0.0007 0.0048 2306 VAL 40 HA -0.0036 0.0014 0.0040 2307 VAL 40 HB -0.0040 0.0007 0.0037 2308 VAL 40 HG11 -0.0040 0.0010 0.0050 2309 VAL 40 HG12 -0.0044 0.0005 0.0047 2310 VAL 40 HG13 -0.0042 0.0006 0.0044 2311 VAL 40 HG21 -0.0034 0.0016 0.0036 2312 VAL 40 HG22 -0.0035 0.0016 0.0042 2313 VAL 40 HG23 -0.0037 0.0012 0.0036 2314 TRP 41 N -0.0031 0.0021 0.0046 2315 TRP 41 CA -0.0028 0.0026 0.0050 2316 TRP 41 C -0.0026 0.0028 0.0049 2317 TRP 41 O -0.0025 0.0030 0.0053 2318 TRP 41 CB -0.0025 0.0029 0.0048 2319 TRP 41 CG -0.0022 0.0033 0.0053 2320 TRP 41 CD1 -0.0019 0.0038 0.0053 2321 TRP 41 CD2 -0.0024 0.0032 0.0059 2322 TRP 41 NE1 -0.0017 0.0040 0.0058 2323 TRP 41 CE2 -0.0020 0.0037 0.0062 2324 TRP 41 CE3 -0.0027 0.0028 0.0062 2325 TRP 41 CZ2 -0.0021 0.0037 0.0068 2326 TRP 41 CZ3 -0.0027 0.0028 0.0068 2327 TRP 41 CH2 -0.0024 0.0033 0.0070 2328 TRP 41 H -0.0030 0.0021 0.0043 2329 TRP 41 HA -0.0029 0.0025 0.0055 2330 TRP 41 HB2 -0.0026 0.0027 0.0046 2331 TRP 41 HB3 -0.0023 0.0031 0.0044 2332 TRP 41 HD1 -0.0017 0.0040 0.0049 2333 TRP 41 HE1 -0.0015 0.0044 0.0059 2334 TRP 41 HE3 -0.0030 0.0024 0.0059 2335 TRP 41 HZ2 -0.0018 0.0041 0.0070 2336 TRP 41 HZ3 -0.0030 0.0025 0.0070 2337 TRP 41 HH2 -0.0024 0.0033 0.0075 2338 HIS 42 N -0.0026 0.0027 0.0044 2339 HIS 42 CA -0.0024 0.0029 0.0042 2340 HIS 42 C -0.0025 0.0027 0.0036 2341 HIS 42 O -0.0025 0.0026 0.0032 2342 HIS 42 CB -0.0020 0.0035 0.0041 2343 HIS 42 CG -0.0018 0.0037 0.0043 2344 HIS 42 ND1 -0.0017 0.0040 0.0049 2345 HIS 42 CD2 -0.0017 0.0038 0.0041 2346 HIS 42 CE1 -0.0015 0.0042 0.0049 2347 HIS 42 NE2 -0.0015 0.0041 0.0044 2348 HIS 42 H -0.0027 0.0026 0.0040 2349 HIS 42 HA -0.0025 0.0029 0.0046 2350 HIS 42 HB2 -0.0019 0.0036 0.0044 2351 HIS 42 HB3 -0.0019 0.0035 0.0037 2352 HIS 42 HD2 -0.0018 0.0036 0.0036 2353 HIS 42 HE1 -0.0014 0.0044 0.0053 2354 HIS 42 HE2 -0.0015 0.0041 0.0044 2355 VAL 43 N -0.0018 0.0039 0.0030 2356 VAL 43 CA -0.0012 0.0035 0.0024 2357 VAL 43 C -0.0005 0.0043 0.0021 2358 VAL 43 O -0.0006 0.0050 0.0024 2359 VAL 43 CB -0.0015 0.0030 0.0025 2360 VAL 43 CG1 -0.0020 0.0036 0.0030 2361 VAL 43 CG2 -0.0009 0.0027 0.0019 2362 VAL 43 H -0.0020 0.0045 0.0033 2363 VAL 43 HA -0.0011 0.0030 0.0021 2364 VAL 43 HB -0.0020 0.0024 0.0026 2365 VAL 43 HG11 -0.0025 0.0038 0.0034 2366 VAL 43 HG12 -0.0021 0.0033 0.0030 2367 VAL 43 HG13 -0.0016 0.0043 0.0029 2368 VAL 43 HG21 -0.0006 0.0022 0.0016 2369 VAL 43 HG22 -0.0004 0.0033 0.0018 2370 VAL 43 HG23 -0.0011 0.0024 0.0020 2371 GLU 44 N 0.0002 0.0040 0.0016 2372 GLU 44 CA 0.0010 0.0047 0.0012 2373 GLU 44 C 0.0012 0.0048 0.0011 2374 GLU 44 O 0.0013 0.0042 0.0008 2375 GLU 44 CB 0.0016 0.0043 0.0006 2376 GLU 44 CG 0.0015 0.0043 0.0007 2377 GLU 44 CD 0.0023 0.0042 0.0001 2378 GLU 44 OE1 0.0026 0.0035 -0.0004 2379 GLU 44 OE2 0.0026 0.0049 0.0001 2380 GLU 44 H 0.0002 0.0034 0.0014 2381 GLU 44 HA 0.0009 0.0053 0.0014 2382 GLU 44 HB2 0.0016 0.0035 0.0004 2383 GLU 44 HB3 0.0022 0.0046 0.0003 2384 GLU 44 HG2 0.0014 0.0050 0.0010 2385 GLU 44 HG3 0.0011 0.0037 0.0008 2386 ASP 45 N 0.0012 0.0057 0.0014 2387 ASP 45 CA 0.0014 0.0060 0.0013 2388 ASP 45 C 0.0023 0.0063 0.0008 2389 ASP 45 O 0.0025 0.0069 0.0008 2390 ASP 45 CB 0.0010 0.0069 0.0019 2391 ASP 45 CG 0.0012 0.0077 0.0019 2392 ASP 45 OD1 0.0010 0.0077 0.0021 2393 ASP 45 OD2 0.0017 0.0084 0.0018 2394 ASP 45 H 0.0011 0.0062 0.0016 2395 ASP 45 HA 0.0011 0.0054 0.0013 2396 ASP 45 HB2 0.0011 0.0070 0.0019 2397 ASP 45 HB3 0.0003 0.0067 0.0023 2398 GLY 46 N 0.0027 0.0058 0.0003 2399 GLY 46 CA 0.0036 0.0060 -0.0003 2400 GLY 46 C 0.0040 0.0052 -0.0008 2401 GLY 46 O 0.0047 0.0052 -0.0013 2402 GLY 46 H 0.0025 0.0053 0.0003 2403 GLY 46 HA2 0.0037 0.0065 -0.0002 2404 GLY 46 HA3 0.0038 0.0063 -0.0004 2405 GLY 47 N 0.0035 0.0044 -0.0007 2406 GLY 47 CA 0.0038 0.0036 -0.0012 2407 GLY 47 C 0.0032 0.0027 -0.0010 2408 GLY 47 O 0.0031 0.0023 -0.0011 2409 GLY 47 H 0.0029 0.0044 -0.0003 2410 GLY 47 HA2 0.0041 0.0038 -0.0013 2411 GLY 47 HA3 0.0043 0.0035 -0.0015 2412 PRO 48 N 0.0029 0.0023 -0.0009 2413 PRO 48 CA 0.0023 0.0014 -0.0008 2414 PRO 48 C 0.0015 0.0014 -0.0002 2415 PRO 48 O 0.0016 0.0017 -0.0002 2416 PRO 48 CB 0.0021 0.0013 -0.0006 2417 PRO 48 CG 0.0027 0.0018 -0.0009 2418 PRO 48 CD 0.0030 0.0027 -0.0008 2419 PRO 48 HA 0.0026 0.0009 -0.0012 2420 PRO 48 HB2 0.0015 0.0015 -0.0002 2421 PRO 48 HB3 0.0020 0.0005 -0.0008 2422 PRO 48 HG2 0.0026 0.0020 -0.0008 2423 PRO 48 HG3 0.0032 0.0015 -0.0014 2424 PRO 48 HD2 0.0026 0.0032 -0.0004 2425 PRO 48 HD3 0.0036 0.0030 -0.0012 2426 ALA 49 N 0.0010 0.0010 0.0003 2427 ALA 49 CA 0.0004 0.0008 0.0007 2428 ALA 49 C 0.0002 0.0016 0.0009 2429 ALA 49 O -0.0001 0.0014 0.0011 2430 ALA 49 CB -0.0003 0.0006 0.0011 2431 ALA 49 H 0.0010 0.0008 0.0003 2432 ALA 49 HA 0.0004 0.0003 0.0006 2433 ALA 49 HB1 -0.0006 0.0000 0.0012 2434 ALA 49 HB2 -0.0006 0.0011 0.0014 2435 ALA 49 HB3 -0.0001 0.0004 0.0009 2436 SER 50 N 0.0004 0.0024 0.0009 2437 SER 50 CA 0.0002 0.0031 0.0012 2438 SER 50 C 0.0006 0.0031 0.0009 2439 SER 50 O 0.0003 0.0032 0.0011 2440 SER 50 CB 0.0004 0.0039 0.0012 2441 SER 50 OG -0.0002 0.0041 0.0016 2442 SER 50 H 0.0006 0.0025 0.0008 2443 SER 50 HA -0.0003 0.0030 0.0016 2444 SER 50 HB2 0.0008 0.0038 0.0009 2445 SER 50 HB3 0.0006 0.0044 0.0012 2446 SER 50 HG -0.0005 0.0043 0.0019 2447 GLU 51 N 0.0013 0.0031 0.0004 2448 GLU 51 CA 0.0018 0.0032 0.0001 2449 GLU 51 C 0.0016 0.0024 0.0001 2450 GLU 51 O 0.0016 0.0024 0.0001 2451 GLU 51 CB 0.0026 0.0032 -0.0004 2452 GLU 51 CG 0.0028 0.0040 -0.0005 2453 GLU 51 CD 0.0034 0.0046 -0.0008 2454 GLU 51 OE1 0.0032 0.0048 -0.0007 2455 GLU 51 OE2 0.0039 0.0048 -0.0011 2456 GLU 51 H 0.0015 0.0030 0.0002 2457 GLU 51 HA 0.0017 0.0037 0.0003 2458 GLU 51 HB2 0.0027 0.0026 -0.0006 2459 GLU 51 HB3 0.0029 0.0032 -0.0007 2460 GLU 51 HG2 0.0024 0.0044 -0.0001 2461 GLU 51 HG3 0.0030 0.0038 -0.0007 2462 ALA 52 N 0.0013 0.0017 0.0002 2463 ALA 52 CA 0.0011 0.0009 0.0002 2464 ALA 52 C 0.0005 0.0010 0.0007 2465 ALA 52 O 0.0004 0.0006 0.0007 2466 ALA 52 CB 0.0010 0.0002 0.0002 2467 ALA 52 H 0.0013 0.0017 0.0002 2468 ALA 52 HA 0.0015 0.0007 -0.0001 2469 ALA 52 HB1 0.0006 0.0004 0.0005 2470 ALA 52 HB2 0.0014 0.0000 -0.0002 2471 ALA 52 HB3 0.0007 -0.0004 0.0003 2472 GLY 53 N 0.0000 0.0016 0.0011 2473 GLY 53 CA -0.0006 0.0017 0.0015 2474 GLY 53 C -0.0013 0.0017 0.0020 2475 GLY 53 O -0.0018 0.0019 0.0024 2476 GLY 53 H 0.0001 0.0019 0.0010 2477 GLY 53 HA2 -0.0005 0.0024 0.0016 2478 GLY 53 HA3 -0.0007 0.0013 0.0015 2479 LEU 54 N -0.0012 0.0014 0.0019 2480 LEU 54 CA -0.0018 0.0014 0.0023 2481 LEU 54 C -0.0021 0.0022 0.0026 2482 LEU 54 O -0.0017 0.0028 0.0025 2483 LEU 54 CB -0.0017 0.0009 0.0021 2484 LEU 54 CG -0.0023 0.0004 0.0025 2485 LEU 54 CD1 -0.0021 -0.0000 0.0023 2486 LEU 54 CD2 -0.0029 0.0009 0.0030 2487 LEU 54 H -0.0008 0.0013 0.0016 2488 LEU 54 HA -0.0023 0.0010 0.0026 2489 LEU 54 HB2 -0.0013 0.0005 0.0018 2490 LEU 54 HB3 -0.0015 0.0014 0.0021 2491 LEU 54 HG -0.0025 -0.0001 0.0025 2492 LEU 54 HD11 -0.0017 -0.0005 0.0019 2493 LEU 54 HD12 -0.0026 -0.0003 0.0026 2494 LEU 54 HD13 -0.0018 0.0005 0.0022 2495 LEU 54 HD21 -0.0034 0.0005 0.0033 2496 LEU 54 HD22 -0.0031 0.0012 0.0032 2497 LEU 54 HD23 -0.0028 0.0014 0.0030 2498 ARG 55 N -0.0028 0.0012 0.0005 2499 ARG 55 CA -0.0032 0.0017 0.0006 2500 ARG 55 C -0.0036 0.0019 0.0010 2501 ARG 55 O -0.0038 0.0015 0.0015 2502 ARG 55 CB -0.0032 0.0017 0.0007 2503 ARG 55 CG -0.0033 0.0012 0.0011 2504 ARG 55 CD -0.0038 0.0013 0.0016 2505 ARG 55 NE -0.0040 0.0018 0.0016 2506 ARG 55 CZ -0.0044 0.0020 0.0019 2507 ARG 55 NH1 -0.0047 0.0019 0.0024 2508 ARG 55 NH2 -0.0045 0.0024 0.0019 2509 ARG 55 H -0.0028 0.0008 0.0007 2510 ARG 55 HA -0.0031 0.0021 0.0002 2511 ARG 55 HB2 -0.0035 0.0021 0.0007 2512 ARG 55 HB3 -0.0029 0.0017 0.0003 2513 ARG 55 HG2 -0.0031 0.0010 0.0010 2514 ARG 55 HG3 -0.0032 0.0008 0.0012 2515 ARG 55 HD2 -0.0038 0.0010 0.0019 2516 ARG 55 HD3 -0.0040 0.0015 0.0017 2517 ARG 55 HE -0.0038 0.0019 0.0013 2518 ARG 55 HH11 -0.0046 0.0016 0.0025 2519 ARG 55 HH12 -0.0050 0.0021 0.0027 2520 ARG 55 HH21 -0.0043 0.0025 0.0015 2521 ARG 55 HH22 -0.0048 0.0026 0.0022 2522 GLN 56 N -0.0038 0.0024 0.0009 2523 GLN 56 CA -0.0042 0.0026 0.0014 2524 GLN 56 C -0.0046 0.0025 0.0018 2525 GLN 56 O -0.0046 0.0027 0.0018 2526 GLN 56 CB -0.0044 0.0032 0.0011 2527 GLN 56 CG -0.0048 0.0034 0.0015 2528 GLN 56 CD -0.0049 0.0040 0.0013 2529 GLN 56 OE1 -0.0047 0.0042 0.0008 2530 GLN 56 NE2 -0.0054 0.0044 0.0016 2531 GLN 56 H -0.0037 0.0026 0.0006 2532 GLN 56 HA -0.0042 0.0023 0.0015 2533 GLN 56 HB2 -0.0042 0.0032 0.0008 2534 GLN 56 HB3 -0.0045 0.0035 0.0010 2535 GLN 56 HG2 -0.0051 0.0034 0.0018 2536 GLN 56 HG3 -0.0047 0.0031 0.0017 2537 GLN 56 HE21 -0.0056 0.0042 0.0020 2538 GLN 56 HE22 -0.0055 0.0048 0.0014 2539 GLY 57 N -0.0048 0.0023 0.0023 2540 GLY 57 CA -0.0051 0.0023 0.0028 2541 GLY 57 C -0.0050 0.0017 0.0030 2542 GLY 57 O -0.0052 0.0016 0.0033 2543 GLY 57 H -0.0048 0.0022 0.0024 2544 GLY 57 HA2 -0.0054 0.0023 0.0031 2545 GLY 57 HA3 -0.0053 0.0026 0.0027 2546 ASP 58 N -0.0046 0.0012 0.0028 2547 ASP 58 CA -0.0044 0.0006 0.0029 2548 ASP 58 C -0.0045 0.0003 0.0034 2549 ASP 58 O -0.0046 0.0004 0.0035 2550 ASP 58 CB -0.0039 0.0004 0.0025 2551 ASP 58 CG -0.0037 -0.0000 0.0025 2552 ASP 58 OD1 -0.0039 -0.0003 0.0029 2553 ASP 58 OD2 -0.0033 -0.0001 0.0020 2554 ASP 58 H -0.0045 0.0013 0.0025 2555 ASP 58 HA -0.0045 0.0006 0.0031 2556 ASP 58 HB2 -0.0038 0.0007 0.0021 2557 ASP 58 HB3 -0.0038 0.0001 0.0025 2558 LEU 59 N -0.0045 -0.0002 0.0037 2559 LEU 59 CA -0.0046 -0.0006 0.0042 2560 LEU 59 C -0.0042 -0.0012 0.0040 2561 LEU 59 O -0.0039 -0.0014 0.0038 2562 LEU 59 CB -0.0049 -0.0008 0.0047 2563 LEU 59 CG -0.0050 -0.0013 0.0051 2564 LEU 59 CD1 -0.0053 -0.0012 0.0055 2565 LEU 59 CD2 -0.0050 -0.0016 0.0054 2566 LEU 59 H -0.0044 -0.0003 0.0036 2567 LEU 59 HA -0.0048 -0.0004 0.0043 2568 LEU 59 HB2 -0.0052 -0.0004 0.0048 2569 LEU 59 HB3 -0.0048 -0.0009 0.0045 2570 LEU 59 HG -0.0047 -0.0016 0.0049 2571 LEU 59 HD11 -0.0053 -0.0009 0.0053 2572 LEU 59 HD12 -0.0054 -0.0015 0.0058 2573 LEU 59 HD13 -0.0056 -0.0009 0.0057 2574 LEU 59 HD21 -0.0053 -0.0013 0.0056 2575 LEU 59 HD22 -0.0051 -0.0020 0.0057 2576 LEU 59 HD23 -0.0047 -0.0018 0.0051 2577 ILE 60 N -0.0042 -0.0013 0.0041 2578 ILE 60 CA -0.0038 -0.0018 0.0040 2579 ILE 60 C -0.0039 -0.0024 0.0044 2580 ILE 60 O -0.0042 -0.0024 0.0049 2581 ILE 60 CB -0.0038 -0.0018 0.0039 2582 ILE 60 CG1 -0.0037 -0.0013 0.0034 2583 ILE 60 CG2 -0.0034 -0.0024 0.0038 2584 ILE 60 CD1 -0.0041 -0.0007 0.0035 2585 ILE 60 H -0.0045 -0.0011 0.0043 2586 ILE 60 HA -0.0035 -0.0019 0.0036 2587 ILE 60 HB -0.0041 -0.0017 0.0042 2588 ILE 60 HG12 -0.0035 -0.0013 0.0032 2589 ILE 60 HG13 -0.0035 -0.0013 0.0031 2590 ILE 60 HG21 -0.0035 -0.0027 0.0041 2591 ILE 60 HG22 -0.0034 -0.0023 0.0037 2592 ILE 60 HG23 -0.0031 -0.0024 0.0034 2593 ILE 60 HD11 -0.0043 -0.0007 0.0038 2594 ILE 60 HD12 -0.0042 -0.0006 0.0036 2595 ILE 60 HD13 -0.0040 -0.0003 0.0031 2596 THR 61 N -0.0036 -0.0026 0.0040 2597 THR 61 CA -0.0037 -0.0031 0.0043 2598 THR 61 C -0.0036 -0.0035 0.0039 2599 THR 61 O -0.0037 -0.0038 0.0041 2600 THR 61 CB -0.0038 -0.0035 0.0044 2601 THR 61 OG1 -0.0037 -0.0037 0.0039 2602 THR 61 CG2 -0.0040 -0.0031 0.0048 2603 THR 61 H -0.0034 -0.0026 0.0037 2604 THR 61 HA -0.0039 -0.0030 0.0046 2605 THR 61 HB -0.0040 -0.0039 0.0047 2606 THR 61 HG1 -0.0036 -0.0041 0.0038 2607 THR 61 HG21 -0.0038 -0.0027 0.0046 2608 THR 61 HG22 -0.0041 -0.0029 0.0052 2609 THR 61 HG23 -0.0041 -0.0033 0.0050 2610 HIS 62 N -0.0034 -0.0036 0.0033 2611 HIS 62 CA -0.0032 -0.0039 0.0029 2612 HIS 62 C -0.0030 -0.0036 0.0024 2613 HIS 62 O -0.0029 -0.0032 0.0023 2614 HIS 62 CB -0.0033 -0.0045 0.0028 2615 HIS 62 CG -0.0035 -0.0049 0.0033 2616 HIS 62 ND1 -0.0036 -0.0049 0.0036 2617 HIS 62 CD2 -0.0037 -0.0053 0.0036 2618 HIS 62 CE1 -0.0039 -0.0053 0.0040 2619 HIS 62 NE2 -0.0039 -0.0055 0.0040 2620 HIS 62 H -0.0033 -0.0033 0.0032 2621 HIS 62 HA -0.0033 -0.0041 0.0031 2622 HIS 62 HB2 -0.0032 -0.0044 0.0026 2623 HIS 62 HB3 -0.0032 -0.0048 0.0025 2624 HIS 62 HD2 -0.0036 -0.0054 0.0035 2625 HIS 62 HE1 -0.0040 -0.0053 0.0043 2626 HIS 62 HE2 -0.0040 -0.0059 0.0042 2627 VAL 63 N -0.0028 -0.0038 0.0020 2628 VAL 63 CA -0.0026 -0.0036 0.0015 2629 VAL 63 C -0.0024 -0.0041 0.0011 2630 VAL 63 O -0.0025 -0.0044 0.0011 2631 VAL 63 CB -0.0025 -0.0031 0.0015 2632 VAL 63 CG1 -0.0027 -0.0033 0.0018 2633 VAL 63 CG2 -0.0023 -0.0028 0.0010 2634 VAL 63 H -0.0029 -0.0041 0.0022 2635 VAL 63 HA -0.0025 -0.0034 0.0014 2636 VAL 63 HB -0.0026 -0.0027 0.0018 2637 VAL 63 HG11 -0.0029 -0.0035 0.0022 2638 VAL 63 HG12 -0.0026 -0.0030 0.0018 2639 VAL 63 HG13 -0.0026 -0.0037 0.0015 2640 VAL 63 HG21 -0.0022 -0.0025 0.0010 2641 VAL 63 HG22 -0.0022 -0.0026 0.0009 2642 VAL 63 HG23 -0.0022 -0.0031 0.0007 2643 ASN 64 N -0.0023 -0.0042 0.0007 2644 ASN 64 CA -0.0021 -0.0047 0.0002 2645 ASN 64 C -0.0023 -0.0053 0.0005 2646 ASN 64 O -0.0023 -0.0057 0.0003 2647 ASN 64 CB -0.0020 -0.0046 -0.0001 2648 ASN 64 CG -0.0017 -0.0044 -0.0007 2649 ASN 64 OD1 -0.0016 -0.0041 -0.0008 2650 ASN 64 ND2 -0.0016 -0.0045 -0.0011 2651 ASN 64 H -0.0023 -0.0040 0.0007 2652 ASN 64 HA -0.0020 -0.0047 -0.0000 2653 ASN 64 HB2 -0.0020 -0.0042 0.0001 2654 ASN 64 HB3 -0.0020 -0.0050 -0.0001 2655 ASN 64 HD21 -0.0016 -0.0048 -0.0010 2656 ASN 64 HD22 -0.0014 -0.0044 -0.0015 2657 GLY 65 N -0.0025 -0.0054 0.0010 2658 GLY 65 CA -0.0027 -0.0059 0.0013 2659 GLY 65 C -0.0029 -0.0060 0.0016 2660 GLY 65 O -0.0029 -0.0064 0.0015 2661 GLY 65 H -0.0026 -0.0050 0.0011 2662 GLY 65 HA2 -0.0029 -0.0060 0.0016 2663 GLY 65 HA3 -0.0026 -0.0063 0.0010 2664 GLU 66 N -0.0029 -0.0055 0.0018 2665 GLU 66 CA -0.0031 -0.0054 0.0022 2666 GLU 66 C -0.0032 -0.0050 0.0027 2667 GLU 66 O -0.0032 -0.0044 0.0026 2668 GLU 66 CB -0.0029 -0.0052 0.0018 2669 GLU 66 CG -0.0030 -0.0054 0.0019 2670 GLU 66 CD -0.0031 -0.0061 0.0019 2671 GLU 66 OE1 -0.0029 -0.0064 0.0015 2672 GLU 66 OE2 -0.0033 -0.0063 0.0024 2673 GLU 66 H -0.0029 -0.0051 0.0018 2674 GLU 66 HA -0.0032 -0.0059 0.0023 2675 GLU 66 HB2 -0.0027 -0.0053 0.0013 2676 GLU 66 HB3 -0.0028 -0.0047 0.0018 2677 GLU 66 HG2 -0.0028 -0.0053 0.0016 2678 GLU 66 HG3 -0.0031 -0.0052 0.0023 2679 PRO 67 N -0.0051 -0.0038 0.0022 2680 PRO 67 CA -0.0051 -0.0035 0.0028 2681 PRO 67 C -0.0048 -0.0031 0.0027 2682 PRO 67 O -0.0048 -0.0033 0.0024 2683 PRO 67 CB -0.0055 -0.0039 0.0031 2684 PRO 67 CG -0.0057 -0.0044 0.0026 2685 PRO 67 CD -0.0054 -0.0044 0.0022 2686 PRO 67 HA -0.0051 -0.0033 0.0030 2687 PRO 67 HB2 -0.0055 -0.0038 0.0032 2688 PRO 67 HB3 -0.0057 -0.0039 0.0034 2689 PRO 67 HG2 -0.0056 -0.0045 0.0025 2690 PRO 67 HG3 -0.0060 -0.0047 0.0028 2691 PRO 67 HD2 -0.0053 -0.0046 0.0018 2692 PRO 67 HD3 -0.0056 -0.0045 0.0023 2693 VAL 68 N -0.0047 -0.0027 0.0030 2694 VAL 68 CA -0.0044 -0.0022 0.0030 2695 VAL 68 C -0.0046 -0.0022 0.0034 2696 VAL 68 O -0.0044 -0.0019 0.0035 2697 VAL 68 CB -0.0041 -0.0017 0.0031 2698 VAL 68 CG1 -0.0038 -0.0018 0.0026 2699 VAL 68 CG2 -0.0042 -0.0016 0.0036 2700 VAL 68 H -0.0047 -0.0026 0.0032 2701 VAL 68 HA -0.0042 -0.0023 0.0026 2702 VAL 68 HB -0.0038 -0.0014 0.0030 2703 VAL 68 HG11 -0.0040 -0.0021 0.0026 2704 VAL 68 HG12 -0.0037 -0.0018 0.0022 2705 VAL 68 HG13 -0.0036 -0.0014 0.0027 2706 VAL 68 HG21 -0.0044 -0.0015 0.0039 2707 VAL 68 HG22 -0.0045 -0.0019 0.0036 2708 VAL 68 HG23 -0.0040 -0.0012 0.0037 2709 HIS 69 N -0.0049 -0.0024 0.0038 2710 HIS 69 CA -0.0052 -0.0024 0.0042 2711 HIS 69 C -0.0052 -0.0026 0.0041 2712 HIS 69 O -0.0054 -0.0030 0.0039 2713 HIS 69 CB -0.0056 -0.0028 0.0045 2714 HIS 69 CG -0.0056 -0.0026 0.0049 2715 HIS 69 ND1 -0.0060 -0.0028 0.0053 2716 HIS 69 CD2 -0.0054 -0.0022 0.0048 2717 HIS 69 CE1 -0.0059 -0.0025 0.0055 2718 HIS 69 NE2 -0.0055 -0.0022 0.0052 2719 HIS 69 H -0.0050 -0.0027 0.0037 2720 HIS 69 HA -0.0051 -0.0021 0.0045 2721 HIS 69 HB2 -0.0056 -0.0031 0.0042 2722 HIS 69 HB3 -0.0058 -0.0029 0.0048 2723 HIS 69 HD2 -0.0050 -0.0020 0.0045 2724 HIS 69 HE1 -0.0062 -0.0026 0.0059 2725 HIS 69 HE2 -0.0054 -0.0019 0.0054 2726 GLY 70 N -0.0049 -0.0022 0.0041 2727 GLY 70 CA -0.0049 -0.0023 0.0040 2728 GLY 70 C -0.0045 -0.0021 0.0035 2729 GLY 70 O -0.0045 -0.0021 0.0033 2730 GLY 70 H -0.0048 -0.0018 0.0042 2731 GLY 70 HA2 -0.0050 -0.0021 0.0043 2732 GLY 70 HA3 -0.0052 -0.0027 0.0039 2733 LEU 71 N -0.0043 -0.0020 0.0032 2734 LEU 71 CA -0.0039 -0.0018 0.0027 2735 LEU 71 C -0.0036 -0.0013 0.0028 2736 LEU 71 O -0.0036 -0.0010 0.0033 2737 LEU 71 CB -0.0037 -0.0018 0.0023 2738 LEU 71 CG -0.0040 -0.0024 0.0021 2739 LEU 71 CD1 -0.0037 -0.0023 0.0017 2740 LEU 71 CD2 -0.0041 -0.0028 0.0018 2741 LEU 71 H -0.0044 -0.0020 0.0033 2742 LEU 71 HA -0.0040 -0.0021 0.0024 2743 LEU 71 HB2 -0.0037 -0.0016 0.0026 2744 LEU 71 HB3 -0.0034 -0.0017 0.0020 2745 LEU 71 HG -0.0042 -0.0025 0.0024 2746 LEU 71 HD11 -0.0039 -0.0027 0.0016 2747 LEU 71 HD12 -0.0035 -0.0023 0.0013 2748 LEU 71 HD13 -0.0036 -0.0020 0.0018 2749 LEU 71 HD21 -0.0038 -0.0026 0.0015 2750 LEU 71 HD22 -0.0042 -0.0031 0.0016 2751 LEU 71 HD23 -0.0043 -0.0028 0.0021 2752 VAL 72 N -0.0034 -0.0012 0.0025 2753 VAL 72 CA -0.0031 -0.0006 0.0026 2754 VAL 72 C -0.0027 -0.0003 0.0024 2755 VAL 72 O -0.0027 -0.0005 0.0021 2756 VAL 72 CB -0.0029 -0.0007 0.0023 2757 VAL 72 CG1 -0.0025 -0.0006 0.0017 2758 VAL 72 CG2 -0.0028 -0.0002 0.0026 2759 VAL 72 H -0.0034 -0.0014 0.0022 2760 VAL 72 HA -0.0032 -0.0005 0.0030 2761 VAL 72 HB -0.0031 -0.0010 0.0022 2762 VAL 72 HG11 -0.0023 -0.0002 0.0017 2763 VAL 72 HG12 -0.0026 -0.0008 0.0015 2764 VAL 72 HG13 -0.0025 -0.0007 0.0015 2765 VAL 72 HG21 -0.0028 -0.0003 0.0024 2766 VAL 72 HG22 -0.0030 -0.0003 0.0030 2767 VAL 72 HG23 -0.0025 0.0001 0.0026 2768 HIS 73 N -0.0028 -0.0006 0.0031 2769 HIS 73 CA -0.0024 -0.0001 0.0029 2770 HIS 73 C -0.0021 -0.0003 0.0023 2771 HIS 73 O -0.0020 -0.0003 0.0021 2772 HIS 73 CB -0.0021 0.0005 0.0031 2773 HIS 73 CG -0.0017 0.0009 0.0029 2774 HIS 73 ND1 -0.0017 0.0013 0.0033 2775 HIS 73 CD2 -0.0013 0.0011 0.0024 2776 HIS 73 CE1 -0.0013 0.0016 0.0030 2777 HIS 73 NE2 -0.0010 0.0015 0.0025 2778 HIS 73 H -0.0028 -0.0004 0.0033 2779 HIS 73 HA -0.0025 -0.0001 0.0032 2780 HIS 73 HB2 -0.0023 0.0006 0.0035 2781 HIS 73 HB3 -0.0019 0.0004 0.0028 2782 HIS 73 HD1 -0.0020 0.0012 0.0037 2783 HIS 73 HD2 -0.0011 0.0009 0.0020 2784 HIS 73 HE1 -0.0012 0.0019 0.0032 2785 THR 74 N -0.0020 -0.0005 0.0019 2786 THR 74 CA -0.0017 -0.0006 0.0013 2787 THR 74 C -0.0019 -0.0012 0.0010 2788 THR 74 O -0.0017 -0.0013 0.0005 2789 THR 74 CB -0.0015 -0.0006 0.0010 2790 THR 74 OG1 -0.0018 -0.0011 0.0010 2791 THR 74 CG2 -0.0013 -0.0000 0.0013 2792 THR 74 H -0.0021 -0.0005 0.0021 2793 THR 74 HA -0.0014 -0.0003 0.0012 2794 THR 74 HB -0.0012 -0.0006 0.0005 2795 THR 74 HG1 -0.0017 -0.0010 0.0008 2796 THR 74 HG21 -0.0010 0.0003 0.0012 2797 THR 74 HG22 -0.0013 -0.0001 0.0012 2798 THR 74 HG23 -0.0015 0.0001 0.0018 2799 GLU 75 N -0.0023 -0.0016 0.0013 2800 GLU 75 CA -0.0026 -0.0022 0.0011 2801 GLU 75 C -0.0026 -0.0021 0.0012 2802 GLU 75 O -0.0025 -0.0024 0.0007 2803 GLU 75 CB -0.0031 -0.0026 0.0015 2804 GLU 75 CG -0.0032 -0.0029 0.0013 2805 GLU 75 CD -0.0036 -0.0033 0.0016 2806 GLU 75 OE1 -0.0038 -0.0031 0.0021 2807 GLU 75 OE2 -0.0038 -0.0039 0.0013 2808 GLU 75 H -0.0025 -0.0015 0.0017 2809 GLU 75 HA -0.0024 -0.0024 0.0007 2810 GLU 75 HB2 -0.0032 -0.0023 0.0020 2811 GLU 75 HB3 -0.0033 -0.0029 0.0015 2812 GLU 75 HG2 -0.0030 -0.0031 0.0008 2813 GLU 75 HG3 -0.0030 -0.0026 0.0013 2814 VAL 76 N -0.0026 -0.0018 0.0016 2815 VAL 76 CA -0.0026 -0.0017 0.0017 2816 VAL 76 C -0.0021 -0.0014 0.0012 2817 VAL 76 O -0.0021 -0.0016 0.0009 2818 VAL 76 CB -0.0027 -0.0013 0.0023 2819 VAL 76 CG1 -0.0032 -0.0016 0.0028 2820 VAL 76 CG2 -0.0025 -0.0007 0.0025 2821 VAL 76 H -0.0027 -0.0015 0.0020 2822 VAL 76 HA -0.0028 -0.0021 0.0016 2823 VAL 76 HB -0.0027 -0.0012 0.0022 2824 VAL 76 HG11 -0.0033 -0.0017 0.0028 2825 VAL 76 HG12 -0.0034 -0.0020 0.0026 2826 VAL 76 HG13 -0.0033 -0.0013 0.0032 2827 VAL 76 HG21 -0.0023 -0.0007 0.0022 2828 VAL 76 HG22 -0.0027 -0.0006 0.0029 2829 VAL 76 HG23 -0.0022 -0.0004 0.0024 2830 VAL 77 N -0.0018 -0.0010 0.0011 2831 VAL 77 CA -0.0013 -0.0007 0.0007 2832 VAL 77 C -0.0012 -0.0011 0.0000 2833 VAL 77 O -0.0010 -0.0012 -0.0003 2834 VAL 77 CB -0.0010 -0.0002 0.0007 2835 VAL 77 CG1 -0.0005 0.0001 0.0002 2836 VAL 77 CG2 -0.0011 0.0002 0.0013 2837 VAL 77 H -0.0019 -0.0008 0.0014 2838 VAL 77 HA -0.0013 -0.0005 0.0007 2839 VAL 77 HB -0.0011 -0.0004 0.0006 2840 VAL 77 HG11 -0.0003 0.0003 0.0001 2841 VAL 77 HG12 -0.0004 0.0005 0.0004 2842 VAL 77 HG13 -0.0005 -0.0002 -0.0002 2843 VAL 77 HG21 -0.0014 0.0000 0.0016 2844 VAL 77 HG22 -0.0012 0.0004 0.0015 2845 VAL 77 HG23 -0.0009 0.0006 0.0013 2846 GLU 78 N -0.0014 -0.0015 -0.0001 2847 GLU 78 CA -0.0014 -0.0020 -0.0006 2848 GLU 78 C -0.0016 -0.0024 -0.0007 2849 GLU 78 O -0.0014 -0.0026 -0.0012 2850 GLU 78 CB -0.0016 -0.0023 -0.0007 2851 GLU 78 CG -0.0012 -0.0020 -0.0009 2852 GLU 78 CD -0.0013 -0.0024 -0.0011 2853 GLU 78 OE1 -0.0012 -0.0026 -0.0016 2854 GLU 78 OE2 -0.0016 -0.0024 -0.0008 2855 GLU 78 H -0.0016 -0.0015 0.0002 2856 GLU 78 HA -0.0010 -0.0017 -0.0010 2857 GLU 78 HB2 -0.0019 -0.0023 -0.0002 2858 GLU 78 HB3 -0.0016 -0.0027 -0.0010 2859 GLU 78 HG2 -0.0009 -0.0018 -0.0012 2860 GLU 78 HG3 -0.0012 -0.0016 -0.0005 2861 LEU 79 N -0.0016 -0.0036 -0.0001 2862 LEU 79 CA -0.0017 -0.0040 -0.0002 2863 LEU 79 C -0.0013 -0.0037 -0.0005 2864 LEU 79 O -0.0012 -0.0041 -0.0009 2865 LEU 79 CB -0.0022 -0.0041 0.0005 2866 LEU 79 CG -0.0026 -0.0049 0.0006 2867 LEU 79 CD1 -0.0024 -0.0053 0.0000 2868 LEU 79 CD2 -0.0028 -0.0052 0.0006 2869 LEU 79 H -0.0018 -0.0034 0.0003 2870 LEU 79 HA -0.0017 -0.0046 -0.0005 2871 LEU 79 HB2 -0.0023 -0.0038 0.0008 2872 LEU 79 HB3 -0.0022 -0.0039 0.0006 2873 LEU 79 HG -0.0029 -0.0049 0.0010 2874 LEU 79 HD11 -0.0021 -0.0054 -0.0004 2875 LEU 79 HD12 -0.0023 -0.0051 -0.0000 2876 LEU 79 HD13 -0.0027 -0.0058 0.0001 2877 LEU 79 HD21 -0.0029 -0.0049 0.0010 2878 LEU 79 HD22 -0.0025 -0.0053 0.0001 2879 LEU 79 HD23 -0.0031 -0.0057 0.0007 2880 ILE 80 N -0.0012 -0.0030 -0.0003 2881 ILE 80 CA -0.0008 -0.0027 -0.0006 2882 ILE 80 C -0.0003 -0.0027 -0.0013 2883 ILE 80 O -0.0001 -0.0029 -0.0017 2884 ILE 80 CB -0.0008 -0.0019 -0.0002 2885 ILE 80 CG1 -0.0012 -0.0019 0.0004 2886 ILE 80 CG2 -0.0003 -0.0015 -0.0005 2887 ILE 80 CD1 -0.0014 -0.0013 0.0010 2888 ILE 80 H -0.0013 -0.0028 -0.0000 2889 ILE 80 HA -0.0010 -0.0029 -0.0006 2890 ILE 80 HB -0.0007 -0.0017 -0.0001 2891 ILE 80 HG12 -0.0012 -0.0019 0.0004 2892 ILE 80 HG13 -0.0015 -0.0024 0.0006 2893 ILE 80 HG21 -0.0000 -0.0013 -0.0009 2894 ILE 80 HG22 -0.0004 -0.0010 -0.0002 2895 ILE 80 HG23 -0.0003 -0.0018 -0.0008 2896 ILE 80 HD11 -0.0017 -0.0014 0.0014 2897 ILE 80 HD12 -0.0011 -0.0008 0.0009 2898 ILE 80 HD13 -0.0014 -0.0013 0.0010 2899 LEU 81 N -0.0001 -0.0025 -0.0014 2900 LEU 81 CA 0.0003 -0.0025 -0.0021 2901 LEU 81 C 0.0003 -0.0032 -0.0025 2902 LEU 81 O 0.0007 -0.0033 -0.0030 2903 LEU 81 CB 0.0005 -0.0022 -0.0021 2904 LEU 81 CG 0.0004 -0.0014 -0.0016 2905 LEU 81 CD1 0.0006 -0.0012 -0.0016 2906 LEU 81 CD2 0.0008 -0.0009 -0.0018 2907 LEU 81 H -0.0003 -0.0023 -0.0011 2908 LEU 81 HA 0.0006 -0.0021 -0.0022 2909 LEU 81 HB2 0.0002 -0.0025 -0.0019 2910 LEU 81 HB3 0.0008 -0.0021 -0.0025 2911 LEU 81 HG 0.0001 -0.0015 -0.0011 2912 LEU 81 HD11 0.0003 -0.0016 -0.0015 2913 LEU 81 HD12 0.0006 -0.0007 -0.0013 2914 LEU 81 HD13 0.0009 -0.0012 -0.0021 2915 LEU 81 HD21 0.0011 -0.0009 -0.0023 2916 LEU 81 HD22 0.0009 -0.0003 -0.0016 2917 LEU 81 HD23 0.0007 -0.0010 -0.0016 2918 LYS 82 N -0.0001 -0.0037 -0.0022 2919 LYS 82 CA -0.0002 -0.0045 -0.0025 2920 LYS 82 C -0.0001 -0.0047 -0.0028 2921 LYS 82 O 0.0001 -0.0051 -0.0033 2922 LYS 82 CB -0.0007 -0.0049 -0.0021 2923 LYS 82 CG -0.0008 -0.0056 -0.0024 2924 LYS 82 CD -0.0014 -0.0061 -0.0019 2925 LYS 82 CE -0.0016 -0.0058 -0.0014 2926 LYS 82 NZ -0.0021 -0.0064 -0.0010 2927 LYS 82 H -0.0004 -0.0036 -0.0018 2928 LYS 82 HA 0.0000 -0.0046 -0.0029 2929 LYS 82 HB2 -0.0008 -0.0046 -0.0018 2930 LYS 82 HB3 -0.0010 -0.0050 -0.0018 2931 LYS 82 HG2 -0.0007 -0.0059 -0.0027 2932 LYS 82 HG3 -0.0007 -0.0056 -0.0025 2933 LYS 82 HD2 -0.0015 -0.0061 -0.0017 2934 LYS 82 HD3 -0.0014 -0.0066 -0.0021 2935 LYS 82 HE2 -0.0014 -0.0056 -0.0016 2936 LYS 82 HE3 -0.0017 -0.0054 -0.0010 2937 LYS 82 HZ1 -0.0020 -0.0067 -0.0013 2938 LYS 82 HZ2 -0.0023 -0.0067 -0.0009 2939 LYS 82 HZ3 -0.0023 -0.0062 -0.0006 2940 SER 83 N -0.0003 -0.0045 -0.0024 2941 SER 83 CA -0.0003 -0.0047 -0.0025 2942 SER 83 C 0.0002 -0.0045 -0.0032 2943 SER 83 O 0.0003 -0.0049 -0.0035 2944 SER 83 CB -0.0005 -0.0043 -0.0020 2945 SER 83 OG -0.0005 -0.0045 -0.0022 2946 SER 83 H -0.0005 -0.0042 -0.0020 2947 SER 83 HA -0.0005 -0.0052 -0.0026 2948 SER 83 HB2 -0.0009 -0.0044 -0.0016 2949 SER 83 HB3 -0.0003 -0.0037 -0.0020 2950 SER 83 HG -0.0003 -0.0041 -0.0022 2951 GLY 84 N 0.0006 -0.0039 -0.0033 2952 GLY 84 CA 0.0011 -0.0037 -0.0039 2953 GLY 84 C 0.0014 -0.0030 -0.0038 2954 GLY 84 O 0.0014 -0.0025 -0.0036 2955 GLY 84 H 0.0005 -0.0036 -0.0030 2956 GLY 84 HA2 0.0013 -0.0038 -0.0042 2957 GLY 84 HA3 0.0011 -0.0041 -0.0041 2958 ASN 85 N 0.0018 -0.0032 -0.0039 2959 ASN 85 CA 0.0020 -0.0025 -0.0040 2960 ASN 85 C 0.0017 -0.0023 -0.0035 2961 ASN 85 O 0.0019 -0.0017 -0.0036 2962 ASN 85 CB 0.0025 -0.0025 -0.0047 2963 ASN 85 CG 0.0025 -0.0031 -0.0049 2964 ASN 85 OD1 0.0025 -0.0030 -0.0048 2965 ASN 85 ND2 0.0026 -0.0038 -0.0052 2966 ASN 85 H 0.0018 -0.0037 -0.0041 2967 ASN 85 HA 0.0020 -0.0020 -0.0039 2968 ASN 85 HB2 0.0026 -0.0019 -0.0047 2969 ASN 85 HB3 0.0027 -0.0025 -0.0050 2970 ASN 85 HD21 0.0026 -0.0038 -0.0052 2971 ASN 85 HD22 0.0026 -0.0042 -0.0053 2972 LYS 86 N 0.0013 -0.0027 -0.0030 2973 LYS 86 CA 0.0010 -0.0026 -0.0026 2974 LYS 86 C 0.0005 -0.0031 -0.0020 2975 LYS 86 O 0.0004 -0.0035 -0.0020 2976 LYS 86 CB 0.0011 -0.0029 -0.0029 2977 LYS 86 CG 0.0012 -0.0038 -0.0032 2978 LYS 86 CD 0.0011 -0.0041 -0.0032 2979 LYS 86 CE 0.0012 -0.0049 -0.0036 2980 LYS 86 NZ 0.0009 -0.0055 -0.0032 2981 LYS 86 H 0.0012 -0.0032 -0.0030 2982 LYS 86 HA 0.0010 -0.0020 -0.0024 2983 LYS 86 HB2 0.0009 -0.0029 -0.0025 2984 LYS 86 HB3 0.0015 -0.0026 -0.0032 2985 LYS 86 HG2 0.0015 -0.0038 -0.0037 2986 LYS 86 HG3 0.0009 -0.0041 -0.0029 2987 LYS 86 HD2 0.0008 -0.0041 -0.0027 2988 LYS 86 HD3 0.0014 -0.0037 -0.0034 2989 LYS 86 HE2 0.0012 -0.0051 -0.0036 2990 LYS 86 HE3 0.0015 -0.0049 -0.0040 2991 LYS 86 HZ1 0.0005 -0.0054 -0.0027 2992 LYS 86 HZ2 0.0009 -0.0055 -0.0032 2993 LYS 86 HZ3 0.0009 -0.0061 -0.0034 2994 VAL 87 N 0.0002 -0.0030 -0.0015 2995 VAL 87 CA -0.0003 -0.0034 -0.0009 2996 VAL 87 C -0.0006 -0.0033 -0.0004 2997 VAL 87 O -0.0005 -0.0027 -0.0004 2998 VAL 87 CB -0.0005 -0.0031 -0.0005 2999 VAL 87 CG1 -0.0005 -0.0022 -0.0002 3000 VAL 87 CG2 -0.0010 -0.0036 0.0000 3001 VAL 87 H 0.0003 -0.0027 -0.0015 3002 VAL 87 HA -0.0003 -0.0040 -0.0011 3003 VAL 87 HB -0.0003 -0.0031 -0.0009 3004 VAL 87 HG11 -0.0002 -0.0019 -0.0006 3005 VAL 87 HG12 -0.0007 -0.0020 0.0001 3006 VAL 87 HG13 -0.0008 -0.0022 0.0001 3007 VAL 87 HG21 -0.0012 -0.0037 0.0003 3008 VAL 87 HG22 -0.0011 -0.0033 0.0003 3009 VAL 87 HG23 -0.0009 -0.0041 -0.0002 3010 ALA 88 N -0.0009 -0.0039 -0.0001 3011 ALA 88 CA -0.0013 -0.0040 0.0004 3012 ALA 88 C -0.0017 -0.0037 0.0011 3013 ALA 88 O -0.0020 -0.0042 0.0014 3014 ALA 88 CB -0.0014 -0.0048 0.0003 3015 ALA 88 H -0.0010 -0.0044 -0.0002 3016 ALA 88 HA -0.0011 -0.0036 0.0002 3017 ALA 88 HB1 -0.0011 -0.0050 -0.0002 3018 ALA 88 HB2 -0.0017 -0.0048 0.0007 3019 ALA 88 HB3 -0.0016 -0.0052 0.0005 3020 ILE 89 N -0.0017 -0.0030 0.0013 3021 ILE 89 CA -0.0021 -0.0026 0.0019 3022 ILE 89 C -0.0024 -0.0027 0.0024 3023 ILE 89 O -0.0023 -0.0024 0.0024 3024 ILE 89 CB -0.0019 -0.0018 0.0019 3025 ILE 89 CG1 -0.0023 -0.0014 0.0026 3026 ILE 89 CG2 -0.0016 -0.0013 0.0017 3027 ILE 89 CD1 -0.0022 -0.0007 0.0027 3028 ILE 89 H -0.0014 -0.0026 0.0010 3029 ILE 89 HA -0.0022 -0.0030 0.0021 3030 ILE 89 HB -0.0017 -0.0017 0.0016 3031 ILE 89 HG12 -0.0025 -0.0013 0.0029 3032 ILE 89 HG13 -0.0026 -0.0019 0.0029 3033 ILE 89 HG21 -0.0013 -0.0015 0.0011 3034 ILE 89 HG22 -0.0015 -0.0007 0.0017 3035 ILE 89 HG23 -0.0018 -0.0013 0.0019 3036 ILE 89 HD11 -0.0025 -0.0004 0.0032 3037 ILE 89 HD12 -0.0019 -0.0003 0.0023 3038 ILE 89 HD13 -0.0022 -0.0008 0.0026 3039 SER 90 N -0.0028 -0.0032 0.0028 3040 SER 90 CA -0.0032 -0.0034 0.0033 3041 SER 90 C -0.0035 -0.0028 0.0039 3042 SER 90 O -0.0038 -0.0029 0.0043 3043 SER 90 CB -0.0035 -0.0042 0.0035 3044 SER 90 OG -0.0036 -0.0046 0.0036 3045 SER 90 H -0.0029 -0.0035 0.0028 3046 SER 90 HA -0.0030 -0.0033 0.0031 3047 SER 90 HB2 -0.0033 -0.0046 0.0031 3048 SER 90 HB3 -0.0038 -0.0042 0.0039 3049 SER 90 HG -0.0035 -0.0042 0.0035 3050 THR 91 N -0.0027 -0.0003 0.0054 3051 THR 91 CA -0.0029 -0.0014 0.0036 3052 THR 91 C -0.0013 -0.0009 0.0018 3053 THR 91 O -0.0002 0.0001 0.0020 3054 THR 91 CB -0.0045 -0.0029 0.0030 3055 THR 91 OG1 -0.0043 -0.0029 0.0027 3056 THR 91 CG2 -0.0062 -0.0034 0.0047 3057 THR 91 H -0.0027 -0.0003 0.0055 3058 THR 91 HA -0.0031 -0.0014 0.0039 3059 THR 91 HB -0.0047 -0.0036 0.0017 3060 THR 91 HG1 -0.0047 -0.0038 0.0014 3061 THR 91 HG21 -0.0060 -0.0027 0.0061 3062 THR 91 HG22 -0.0063 -0.0034 0.0050 3063 THR 91 HG23 -0.0073 -0.0045 0.0043 3064 THR 92 N -0.0012 -0.0016 0.0002 3065 THR 92 CA 0.0003 -0.0012 -0.0016 3066 THR 92 C 0.0001 -0.0021 -0.0033 3067 THR 92 O -0.0009 -0.0034 -0.0043 3068 THR 92 CB 0.0009 -0.0011 -0.0024 3069 THR 92 OG1 0.0024 -0.0007 -0.0041 3070 THR 92 CG2 -0.0006 -0.0026 -0.0031 3071 THR 92 H -0.0023 -0.0025 0.0000 3072 THR 92 HA 0.0014 -0.0001 -0.0010 3073 THR 92 HB 0.0012 -0.0003 -0.0013 3074 THR 92 HG1 0.0020 -0.0016 -0.0054 3075 THR 92 HG21 -0.0009 -0.0034 -0.0043 3076 THR 92 HG22 -0.0017 -0.0029 -0.0018 3077 THR 92 HG23 -0.0002 -0.0025 -0.0036 3078 PRO 93 N 0.0009 -0.0016 -0.0035 3079 PRO 93 CA 0.0009 -0.0024 -0.0051 3080 PRO 93 C 0.0014 -0.0029 -0.0072 3081 PRO 93 O 0.0020 -0.0026 -0.0075 3082 PRO 93 CB 0.0022 -0.0013 -0.0049 3083 PRO 93 CG 0.0022 -0.0002 -0.0028 3084 PRO 93 CD 0.0019 -0.0001 -0.0021 3085 PRO 93 HA -0.0004 -0.0033 -0.0049 3086 PRO 93 HB2 0.0034 -0.0007 -0.0059 3087 PRO 93 HB3 0.0017 -0.0018 -0.0053 3088 PRO 93 HG2 0.0035 0.0008 -0.0026 3089 PRO 93 HG3 0.0012 -0.0006 -0.0019 3090 PRO 93 HD2 0.0031 0.0008 -0.0023 3091 PRO 93 HD3 0.0011 -0.0000 -0.0006 3092 LEU 94 N 0.0012 -0.0038 -0.0087 3093 LEU 94 CA 0.0017 -0.0044 -0.0108 3094 LEU 94 C 0.0037 -0.0032 -0.0116 3095 LEU 94 O 0.0047 -0.0019 -0.0106 3096 LEU 94 CB 0.0011 -0.0055 -0.0122 3097 LEU 94 CG 0.0002 -0.0057 -0.0111 3098 LEU 94 CD1 0.0016 -0.0044 -0.0107 3099 LEU 94 CD2 -0.0008 -0.0071 -0.0123 3100 LEU 94 H 0.0008 -0.0040 -0.0084 3101 LEU 94 HA 0.0010 -0.0050 -0.0109 3102 LEU 94 HB2 0.0023 -0.0051 -0.0133 3103 LEU 94 HB3 0.0003 -0.0065 -0.0129 3104 LEU 94 HG -0.0006 -0.0057 -0.0096 3105 LEU 94 HD11 0.0019 -0.0035 -0.0093 3106 LEU 94 HD12 0.0011 -0.0048 -0.0107 3107 LEU 94 HD13 0.0028 -0.0041 -0.0120 3108 LEU 94 HD21 -0.0018 -0.0080 -0.0126 3109 LEU 94 HD22 -0.0000 -0.0071 -0.0138 3110 LEU 94 HD23 -0.0015 -0.0073 -0.0115 3111 GLU 95 N 0.0042 -0.0036 -0.0133 3112 GLU 95 CA 0.0060 -0.0026 -0.0143 3113 GLU 95 C 0.0063 -0.0034 -0.0166 3114 GLU 95 O 0.0050 -0.0047 -0.0173 3115 GLU 95 CB 0.0066 -0.0017 -0.0133 3116 GLU 95 CG 0.0058 -0.0025 -0.0139 3117 GLU 95 CD 0.0039 -0.0035 -0.0127 3118 GLU 95 OE1 0.0035 -0.0030 -0.0109 3119 GLU 95 OE2 0.0028 -0.0049 -0.0137 3120 GLU 95 H 0.0033 -0.0046 -0.0140 3121 GLU 95 HA 0.0068 -0.0018 -0.0140 3122 GLU 95 HB2 0.0080 -0.0008 -0.0139 3123 GLU 95 HB3 0.0062 -0.0012 -0.0117 3124 GLU 95 HG2 0.0059 -0.0032 -0.0155 3125 GLU 95 HG3 0.0065 -0.0018 -0.0135 3126 ASN 96 N 0.0079 -0.0026 -0.0177 3127 ASN 96 CA 0.0084 -0.0033 -0.0199 3128 ASN 96 C 0.0083 -0.0036 -0.0205 3129 ASN 96 O 0.0085 -0.0029 -0.0192 3130 ASN 96 CB 0.0102 -0.0023 -0.0208 3131 ASN 96 CG 0.0116 -0.0009 -0.0203 3132 ASN 96 OD1 0.0124 -0.0008 -0.0214 3133 ASN 96 ND2 0.0121 0.0003 -0.0187 3134 ASN 96 OXT 0.0081 -0.0046 -0.0222 3135 ASN 96 H 0.0088 -0.0016 -0.0170 3136 ASN 96 HA 0.0074 -0.0043 -0.0204 3137 ASN 96 HB2 0.0104 -0.0029 -0.0225 3138 ASN 96 HB3 0.0102 -0.0020 -0.0203 3139 ASN 96 HD21 0.0114 0.0001 -0.0179 3140 ASN 96 HD22 0.0130 0.0012 -0.0183 3141 SER 101 N 0.0007 -0.0038 0.0099 3142 SER 101 CA 0.0029 -0.0035 0.0091 3143 SER 101 C 0.0032 -0.0027 0.0080 3144 SER 101 O 0.0029 -0.0014 0.0065 3145 SER 101 CB 0.0035 -0.0027 0.0080 3146 SER 101 OG 0.0028 -0.0033 0.0088 3147 SER 101 H1 0.0003 -0.0044 0.0108 3148 SER 101 H2 0.0005 -0.0043 0.0106 3149 SER 101 H3 -0.0004 -0.0028 0.0090 3150 SER 101 HA 0.0040 -0.0046 0.0101 3151 SER 101 HB2 0.0027 -0.0016 0.0068 3152 SER 101 HB3 0.0052 -0.0028 0.0076 3153 SER 101 HG 0.0040 -0.0036 0.0089 3154 TRP 102 N 0.0038 -0.0035 0.0088 3155 TRP 102 CA 0.0042 -0.0029 0.0080 3156 TRP 102 C 0.0062 -0.0037 0.0085 3157 TRP 102 O 0.0064 -0.0050 0.0101 3158 TRP 102 CB 0.0022 -0.0028 0.0084 3159 TRP 102 CG 0.0026 -0.0025 0.0079 3160 TRP 102 CD1 0.0033 -0.0013 0.0063 3161 TRP 102 CD2 0.0024 -0.0034 0.0090 3162 TRP 102 NE1 0.0035 -0.0014 0.0064 3163 TRP 102 CE2 0.0030 -0.0027 0.0080 3164 TRP 102 CE3 0.0018 -0.0047 0.0107 3165 TRP 102 CZ2 0.0030 -0.0032 0.0087 3166 TRP 102 CZ3 0.0017 -0.0052 0.0114 3167 TRP 102 CH2 0.0023 -0.0045 0.0104 3168 TRP 102 H 0.0040 -0.0045 0.0101 3169 TRP 102 HA 0.0045 -0.0018 0.0066 3170 TRP 102 HB2 0.0009 -0.0020 0.0077 3171 TRP 102 HB3 0.0017 -0.0038 0.0097 3172 TRP 102 HD1 0.0036 -0.0005 0.0052 3173 TRP 102 HE1 0.0040 -0.0007 0.0054 3174 TRP 102 HE3 0.0013 -0.0052 0.0115 3175 TRP 102 HZ2 0.0034 -0.0027 0.0079 3176 TRP 102 HZ3 0.0012 -0.0062 0.0127 3177 TRP 102 HH2 0.0023 -0.0050 0.0109 3178 GLU 103 N 0.0077 -0.0030 0.0073 3179 GLU 103 CA 0.0096 -0.0037 0.0077 3180 GLU 103 C 0.0092 -0.0039 0.0081 3181 GLU 103 O 0.0087 -0.0050 0.0095 3182 GLU 103 CB 0.0114 -0.0028 0.0062 3183 GLU 103 CG 0.0124 -0.0028 0.0060 3184 GLU 103 CD 0.0110 -0.0018 0.0051 3185 GLU 103 OE1 0.0108 -0.0005 0.0036 3186 GLU 103 OE2 0.0101 -0.0023 0.0059 3187 GLU 103 H 0.0074 -0.0020 0.0061 3188 GLU 103 HA 0.0101 -0.0047 0.0088 3189 GLU 103 HB2 0.0108 -0.0017 0.0050 3190 GLU 103 HB3 0.0127 -0.0032 0.0064 3191 GLU 103 HG2 0.0139 -0.0025 0.0052 3192 GLU 103 HG3 0.0125 -0.0038 0.0072 3193 SER 104 N 0.0094 -0.0028 0.0067 3194 SER 104 CA 0.0090 -0.0029 0.0069 3195 SER 104 C 0.0079 -0.0015 0.0054 3196 SER 104 O 0.0071 -0.0005 0.0045 3197 SER 104 CB 0.0111 -0.0034 0.0071 3198 SER 104 OG 0.0123 -0.0046 0.0082 3199 SER 104 H 0.0097 -0.0020 0.0056 3200 SER 104 HA 0.0079 -0.0037 0.0081 3201 SER 104 HB2 0.0121 -0.0026 0.0058 3202 SER 104 HB3 0.0108 -0.0037 0.0075 3203 SER 104 HG 0.0137 -0.0049 0.0083 3204 HIS 105 N 0.0079 -0.0013 0.0053 3205 HIS 105 CA 0.0069 -0.0000 0.0039 3206 HIS 105 C 0.0080 0.0012 0.0022 3207 HIS 105 O 0.0099 0.0011 0.0018 3208 HIS 105 CB 0.0070 -0.0002 0.0041 3209 HIS 105 CG 0.0050 -0.0007 0.0051 3210 HIS 105 ND1 0.0049 -0.0021 0.0068 3211 HIS 105 CD2 0.0031 0.0001 0.0046 3212 HIS 105 CE1 0.0030 -0.0021 0.0073 3213 HIS 105 NE2 0.0018 -0.0008 0.0060 3214 HIS 105 H 0.0086 -0.0021 0.0061 3215 HIS 105 HA 0.0052 0.0002 0.0040 3216 HIS 105 HB2 0.0084 -0.0010 0.0047 3217 HIS 105 HB3 0.0071 0.0008 0.0028 3218 HIS 105 HD2 0.0026 0.0012 0.0033 3219 HIS 105 HE1 0.0024 -0.0031 0.0086 3220 HIS 105 HE2 0.0005 -0.0006 0.0060 3221 LYS 106 N 0.0067 0.0023 0.0011 3222 LYS 106 CA 0.0075 0.0035 -0.0006 3223 LYS 106 C 0.0060 0.0048 -0.0018 3224 LYS 106 O 0.0062 0.0060 -0.0033 3225 LYS 106 CB 0.0077 0.0036 -0.0007 3226 LYS 106 CG 0.0093 0.0023 0.0004 3227 LYS 106 CD 0.0096 0.0025 0.0001 3228 LYS 106 CE 0.0112 0.0013 0.0012 3229 LYS 106 NZ 0.0118 0.0016 0.0008 3230 LYS 106 H 0.0052 0.0022 0.0016 3231 LYS 106 HA 0.0091 0.0035 -0.0009 3232 LYS 106 HB2 0.0061 0.0035 -0.0003 3233 LYS 106 HB3 0.0082 0.0045 -0.0020 3234 LYS 106 HG2 0.0108 0.0023 0.0002 3235 LYS 106 HG3 0.0087 0.0014 0.0018 3236 LYS 106 HD2 0.0081 0.0026 0.0004 3237 LYS 106 HD3 0.0102 0.0035 -0.0012 3238 LYS 106 HE2 0.0127 0.0012 0.0011 3239 LYS 106 HE3 0.0105 0.0004 0.0025 3240 LYS 106 HZ1 0.0134 0.0016 0.0004 3241 LYS 106 HZ2 0.0109 0.0026 -0.0002 3242 LYS 106 HZ3 0.0114 0.0008 0.0018 3243 SER 107 N 0.0010 0.0023 0.0032 3244 SER 107 CA 0.0009 0.0023 0.0029 3245 SER 107 C 0.0010 0.0025 0.0027 3246 SER 107 O 0.0011 0.0026 0.0028 3247 SER 107 CB 0.0006 0.0021 0.0029 3248 SER 107 OG 0.0006 0.0019 0.0032 3249 SER 107 H 0.0011 0.0023 0.0033 3250 SER 107 HA 0.0009 0.0024 0.0029 3251 SER 107 HB2 0.0006 0.0021 0.0028 3252 SER 107 HB3 0.0005 0.0020 0.0027 3253 SER 107 HG 0.0004 0.0017 0.0032 3254 GLY 108 N 0.0009 0.0026 0.0024 3255 GLY 108 CA 0.0010 0.0028 0.0022 3256 GLY 108 C 0.0008 0.0027 0.0020 3257 GLY 108 O 0.0006 0.0026 0.0019 3258 GLY 108 H 0.0008 0.0026 0.0023 3259 GLY 108 HA2 0.0012 0.0029 0.0023 3260 GLY 108 HA3 0.0010 0.0029 0.0020 3261 GLY 109 N 0.0009 0.0029 0.0020 3262 GLY 109 CA 0.0008 0.0028 0.0018 3263 GLY 109 C 0.0007 0.0026 0.0020 3264 GLY 109 O 0.0007 0.0025 0.0023 3265 GLY 109 H 0.0011 0.0030 0.0021 3266 GLY 109 HA2 0.0009 0.0030 0.0017 3267 GLY 109 HA3 0.0006 0.0027 0.0017 3268 GLU 110 N 0.0007 0.0027 0.0020 3269 GLU 110 CA 0.0007 0.0025 0.0022 3270 GLU 110 C 0.0006 0.0026 0.0020 3271 GLU 110 O 0.0008 0.0027 0.0020 3272 GLU 110 CB 0.0009 0.0026 0.0024 3273 GLU 110 CG 0.0009 0.0024 0.0027 3274 GLU 110 CD 0.0006 0.0022 0.0028 3275 GLU 110 OE1 0.0006 0.0021 0.0027 3276 GLU 110 OE2 0.0005 0.0020 0.0029 3277 GLU 110 H 0.0008 0.0028 0.0018 3278 GLU 110 HA 0.0005 0.0023 0.0022 3279 GLU 110 HB2 0.0011 0.0028 0.0024 3280 GLU 110 HB3 0.0009 0.0026 0.0025 3281 GLU 110 HG2 0.0009 0.0024 0.0027 3282 GLU 110 HG3 0.0010 0.0025 0.0029 3283 THR 111 N 0.0004 0.0024 0.0018 3284 THR 111 CA 0.0003 0.0024 0.0016 3285 THR 111 C 0.0001 0.0022 0.0017 3286 THR 111 O 0.0000 0.0020 0.0019 3287 THR 111 CB 0.0002 0.0025 0.0012 3288 THR 111 OG1 0.0001 0.0026 0.0010 3289 THR 111 CG2 -0.0001 0.0023 0.0012 3290 THR 111 H 0.0003 0.0023 0.0018 3291 THR 111 HA 0.0004 0.0026 0.0016 3292 THR 111 HB 0.0003 0.0027 0.0012 3293 THR 111 HG1 0.0003 0.0028 0.0010 3294 THR 111 HG21 -0.0002 0.0024 0.0009 3295 THR 111 HG22 -0.0002 0.0021 0.0012 3296 THR 111 HG23 -0.0001 0.0023 0.0013 3297 ARG 112 N -0.0000 0.0022 0.0016 3298 ARG 112 CA -0.0002 0.0019 0.0016 3299 ARG 112 C -0.0004 0.0019 0.0014 3300 ARG 112 O -0.0004 0.0020 0.0011 3301 ARG 112 CB -0.0001 0.0019 0.0018 3302 ARG 112 CG -0.0003 0.0018 0.0018 3303 ARG 112 CD -0.0002 0.0019 0.0017 3304 ARG 112 NE -0.0003 0.0020 0.0014 3305 ARG 112 CZ -0.0001 0.0023 0.0012 3306 ARG 112 NH1 0.0001 0.0024 0.0014 3307 ARG 112 NH2 -0.0002 0.0024 0.0009 3308 ARG 112 H 0.0000 0.0023 0.0014 3309 ARG 112 HA -0.0003 0.0018 0.0018 3310 ARG 112 HB2 -0.0000 0.0019 0.0021 3311 ARG 112 HB3 0.0000 0.0021 0.0017 3312 ARG 112 HG2 -0.0005 0.0017 0.0017 3313 ARG 112 HG3 -0.0003 0.0017 0.0021 3314 ARG 112 HD2 -0.0003 0.0018 0.0017 3315 ARG 112 HD3 -0.0000 0.0020 0.0018 3316 ARG 112 HE -0.0004 0.0019 0.0012 3317 ARG 112 HH11 0.0002 0.0023 0.0016 3318 ARG 112 HH12 0.0003 0.0026 0.0013 3319 ARG 112 HH21 -0.0003 0.0023 0.0008 3320 ARG 112 HH22 -0.0000 0.0026 0.0008 3321 LEU 113 N -0.0003 0.0012 0.0009 3322 LEU 113 CA -0.0002 0.0008 0.0004 3323 LEU 113 C 0.0003 0.0012 0.0001 3324 LEU 113 O 0.0006 0.0016 0.0000 3325 LEU 113 CB -0.0005 0.0004 0.0006 3326 LEU 113 CG -0.0009 -0.0002 0.0007 3327 LEU 113 CD1 -0.0007 -0.0005 0.0002 3328 LEU 113 CD2 -0.0012 -0.0001 0.0012 3329 LEU 113 OXT 0.0003 0.0011 0.0000 3330 LEU 113 H -0.0006 0.0012 0.0013 3331 LEU 113 HA -0.0001 0.0006 0.0002 3332 LEU 113 HB2 -0.0007 0.0006 0.0010 3333 LEU 113 HB3 -0.0004 0.0002 0.0002 3334 LEU 113 HG -0.0011 -0.0005 0.0007 3335 LEU 113 HD11 -0.0010 -0.0009 0.0002 3336 LEU 113 HD12 -0.0005 -0.0002 0.0001 3337 LEU 113 HD13 -0.0005 -0.0006 -0.0002 3338 LEU 113 HD21 -0.0015 -0.0005 0.0013 3339 LEU 113 HD22 -0.0013 0.0001 0.0015 3340 LEU 113 HD23 -0.0010 0.0002 0.0012 3341 GLY 1 N 0.0080 0.0010 -0.0215 3342 GLY 1 CA 0.0054 -0.0001 -0.0203 3343 GLY 1 C 0.0065 0.0004 -0.0191 3344 GLY 1 O 0.0066 0.0004 -0.0209 3345 GLY 1 H1 0.0072 0.0006 -0.0225 3346 GLY 1 H2 0.0094 0.0017 -0.0196 3347 GLY 1 H3 0.0092 0.0015 -0.0233 3348 GLY 1 HA2 0.0039 -0.0009 -0.0223 3349 GLY 1 HA3 0.0043 -0.0006 -0.0183 3350 GLY 2 N 0.0073 0.0010 -0.0159 3351 GLY 2 CA 0.0083 0.0015 -0.0145 3352 GLY 2 C 0.0094 0.0022 -0.0110 3353 GLY 2 O 0.0094 0.0022 -0.0097 3354 GLY 2 H 0.0072 0.0010 -0.0145 3355 GLY 2 HA2 0.0102 0.0023 -0.0160 3356 GLY 2 HA3 0.0065 0.0007 -0.0145 3357 SER 3 N 0.0103 0.0027 -0.0094 3358 SER 3 CA 0.0114 0.0034 -0.0060 3359 SER 3 C 0.0111 0.0033 -0.0044 3360 SER 3 O 0.0110 0.0032 -0.0060 3361 SER 3 CB 0.0147 0.0049 -0.0060 3362 SER 3 OG 0.0151 0.0050 -0.0072 3363 SER 3 H 0.0103 0.0026 -0.0106 3364 SER 3 HA 0.0100 0.0028 -0.0047 3365 SER 3 HB2 0.0161 0.0054 -0.0075 3366 SER 3 HB3 0.0155 0.0054 -0.0035 3367 SER 3 HG 0.0132 0.0041 -0.0081 3368 MET 4 N 0.0109 0.0034 -0.0011 3369 MET 4 CA 0.0106 0.0034 0.0009 3370 MET 4 C 0.0077 0.0020 0.0001 3371 MET 4 O 0.0078 0.0020 -0.0017 3372 MET 4 CB 0.0134 0.0046 0.0005 3373 MET 4 CG 0.0162 0.0060 0.0021 3374 MET 4 SD 0.0194 0.0075 0.0015 3375 MET 4 CE 0.0182 0.0070 0.0037 3376 MET 4 H 0.0109 0.0035 0.0001 3377 MET 4 HA 0.0104 0.0034 0.0035 3378 MET 4 HB2 0.0138 0.0047 -0.0021 3379 MET 4 HB3 0.0129 0.0045 0.0017 3380 MET 4 HG2 0.0157 0.0059 0.0047 3381 MET 4 HG3 0.0166 0.0061 0.0009 3382 MET 4 HE1 0.0164 0.0061 0.0024 3383 MET 4 HE2 0.0201 0.0079 0.0038 3384 MET 4 HE3 0.0175 0.0068 0.0062 3385 ARG 5 N 0.0052 0.0009 0.0014 3386 ARG 5 CA 0.0023 -0.0004 0.0008 3387 ARG 5 C 0.0022 -0.0004 0.0027 3388 ARG 5 O 0.0032 0.0002 0.0055 3389 ARG 5 CB -0.0004 -0.0016 0.0019 3390 ARG 5 CG -0.0007 -0.0019 -0.0003 3391 ARG 5 CD 0.0013 -0.0009 0.0009 3392 ARG 5 NE 0.0014 -0.0010 -0.0014 3393 ARG 5 CZ 0.0037 0.0001 -0.0016 3394 ARG 5 NH1 0.0061 0.0013 0.0003 3395 ARG 5 NH2 0.0036 -0.0001 -0.0038 3396 ARG 5 H 0.0052 0.0010 0.0028 3397 ARG 5 HA 0.0022 -0.0006 -0.0018 3398 ARG 5 HB2 -0.0000 -0.0013 0.0044 3399 ARG 5 HB3 -0.0024 -0.0026 0.0017 3400 ARG 5 HG2 -0.0030 -0.0029 -0.0001 3401 ARG 5 HG3 -0.0001 -0.0017 -0.0028 3402 ARG 5 HD2 0.0036 0.0002 0.0012 3403 ARG 5 HD3 0.0005 -0.0012 0.0033 3404 ARG 5 HE -0.0003 -0.0018 -0.0029 3405 ARG 5 HH11 0.0061 0.0014 0.0020 3406 ARG 5 HH12 0.0078 0.0021 0.0002 3407 ARG 5 HH21 0.0019 -0.0010 -0.0052 3408 ARG 5 HH22 0.0054 0.0007 -0.0039 3409 PRO 6 N 0.0011 -0.0010 0.0012 3410 PRO 6 CA 0.0010 -0.0009 0.0028 3411 PRO 6 C -0.0019 -0.0021 0.0050 3412 PRO 6 O -0.0044 -0.0034 0.0037 3413 PRO 6 CB 0.0009 -0.0011 -0.0002 3414 PRO 6 CG 0.0010 -0.0013 -0.0033 3415 PRO 6 CD -0.0001 -0.0017 -0.0022 3416 PRO 6 HA 0.0029 0.0000 0.0042 3417 PRO 6 HB2 -0.0012 -0.0021 -0.0001 3418 PRO 6 HB3 0.0028 -0.0002 -0.0002 3419 PRO 6 HG2 -0.0004 -0.0020 -0.0051 3420 PRO 6 HG3 0.0033 -0.0002 -0.0042 3421 PRO 6 HD2 -0.0026 -0.0028 -0.0021 3422 PRO 6 HD3 0.0008 -0.0014 -0.0038 3423 PRO 7 N -0.0026 -0.0037 0.0022 3424 PRO 7 CA -0.0023 -0.0035 0.0018 3425 PRO 7 C -0.0018 -0.0030 0.0014 3426 PRO 7 O -0.0016 -0.0032 0.0011 3427 PRO 7 CB -0.0022 -0.0041 0.0014 3428 PRO 7 CG -0.0027 -0.0047 0.0017 3429 PRO 7 CD -0.0028 -0.0044 0.0020 3430 PRO 7 HA -0.0024 -0.0032 0.0020 3431 PRO 7 HB2 -0.0019 -0.0042 0.0010 3432 PRO 7 HB3 -0.0022 -0.0042 0.0014 3433 PRO 7 HG2 -0.0026 -0.0052 0.0014 3434 PRO 7 HG3 -0.0029 -0.0048 0.0020 3435 PRO 7 HD2 -0.0026 -0.0045 0.0017 3436 PRO 7 HD3 -0.0032 -0.0046 0.0024 3437 ILE 8 N -0.0016 -0.0024 0.0015 3438 ILE 8 CA -0.0011 -0.0019 0.0011 3439 ILE 8 C -0.0007 -0.0021 0.0006 3440 ILE 8 O -0.0007 -0.0020 0.0006 3441 ILE 8 CB -0.0011 -0.0012 0.0015 3442 ILE 8 CG1 -0.0016 -0.0012 0.0021 3443 ILE 8 CG2 -0.0007 -0.0007 0.0013 3444 ILE 8 CD1 -0.0017 -0.0005 0.0025 3445 ILE 8 H -0.0017 -0.0023 0.0017 3446 ILE 8 HA -0.0011 -0.0020 0.0010 3447 ILE 8 HB -0.0010 -0.0011 0.0015 3448 ILE 8 HG12 -0.0016 -0.0012 0.0021 3449 ILE 8 HG13 -0.0019 -0.0016 0.0023 3450 ILE 8 HG21 -0.0007 -0.0002 0.0015 3451 ILE 8 HG22 -0.0008 -0.0008 0.0013 3452 ILE 8 HG23 -0.0004 -0.0008 0.0008 3453 ILE 8 HD11 -0.0020 -0.0006 0.0030 3454 ILE 8 HD12 -0.0014 -0.0001 0.0024 3455 ILE 8 HD13 -0.0016 -0.0004 0.0025 3456 ILE 9 N -0.0004 -0.0023 0.0001 3457 ILE 9 CA -0.0000 -0.0025 -0.0004 3458 ILE 9 C 0.0004 -0.0018 -0.0006 3459 ILE 9 O 0.0007 -0.0015 -0.0008 3460 ILE 9 CB 0.0002 -0.0029 -0.0009 3461 ILE 9 CG1 -0.0002 -0.0034 -0.0007 3462 ILE 9 CG2 0.0004 -0.0033 -0.0014 3463 ILE 9 CD1 -0.0006 -0.0040 -0.0005 3464 ILE 9 H -0.0004 -0.0023 0.0001 3465 ILE 9 HA -0.0002 -0.0027 -0.0004 3466 ILE 9 HB 0.0004 -0.0026 -0.0011 3467 ILE 9 HG12 -0.0004 -0.0032 -0.0003 3468 ILE 9 HG13 -0.0001 -0.0037 -0.0010 3469 ILE 9 HG21 0.0007 -0.0029 -0.0016 3470 ILE 9 HG22 0.0006 -0.0036 -0.0017 3471 ILE 9 HG23 0.0002 -0.0036 -0.0012 3472 ILE 9 HD11 -0.0009 -0.0043 -0.0003 3473 ILE 9 HD12 -0.0008 -0.0037 -0.0001 3474 ILE 9 HD13 -0.0004 -0.0043 -0.0008 3475 ILE 10 N 0.0004 -0.0016 -0.0006 3476 ILE 10 CA 0.0008 -0.0011 -0.0008 3477 ILE 10 C 0.0013 -0.0013 -0.0015 3478 ILE 10 O 0.0012 -0.0020 -0.0017 3479 ILE 10 CB 0.0007 -0.0008 -0.0006 3480 ILE 10 CG1 0.0003 -0.0006 0.0001 3481 ILE 10 CG2 0.0012 -0.0001 -0.0008 3482 ILE 10 CD1 -0.0000 -0.0008 0.0004 3483 ILE 10 H 0.0002 -0.0019 -0.0004 3484 ILE 10 HA 0.0009 -0.0007 -0.0007 3485 ILE 10 HB 0.0007 -0.0012 -0.0007 3486 ILE 10 HG12 0.0004 -0.0000 0.0002 3487 ILE 10 HG13 0.0001 -0.0008 0.0003 3488 ILE 10 HG21 0.0011 0.0002 -0.0005 3489 ILE 10 HG22 0.0013 0.0002 -0.0008 3490 ILE 10 HG23 0.0015 -0.0003 -0.0012 3491 ILE 10 HD11 -0.0001 -0.0013 0.0002 3492 ILE 10 HD12 -0.0003 -0.0007 0.0008 3493 ILE 10 HD13 0.0002 -0.0004 0.0003 3494 HIS 11 N 0.0017 -0.0009 -0.0018 3495 HIS 11 CA 0.0021 -0.0011 -0.0024 3496 HIS 11 C 0.0025 -0.0005 -0.0025 3497 HIS 11 O 0.0026 0.0001 -0.0025 3498 HIS 11 CB 0.0024 -0.0011 -0.0027 3499 HIS 11 CG 0.0028 -0.0014 -0.0033 3500 HIS 11 ND1 0.0032 -0.0010 -0.0037 3501 HIS 11 CD2 0.0028 -0.0020 -0.0036 3502 HIS 11 CE1 0.0035 -0.0013 -0.0042 3503 HIS 11 NE2 0.0033 -0.0020 -0.0042 3504 HIS 11 H 0.0017 -0.0004 -0.0016 3505 HIS 11 HA 0.0020 -0.0016 -0.0025 3506 HIS 11 HB2 0.0021 -0.0015 -0.0025 3507 HIS 11 HB3 0.0025 -0.0006 -0.0026 3508 HIS 11 HD2 0.0025 -0.0024 -0.0035 3509 HIS 11 HE1 0.0039 -0.0011 -0.0046 3510 HIS 11 HE2 0.0034 -0.0023 -0.0045 3511 ARG 12 N 0.0025 -0.0008 -0.0028 3512 ARG 12 CA 0.0029 -0.0003 -0.0029 3513 ARG 12 C 0.0034 -0.0001 -0.0034 3514 ARG 12 O 0.0036 -0.0004 -0.0039 3515 ARG 12 CB 0.0028 -0.0007 -0.0031 3516 ARG 12 CG 0.0031 -0.0003 -0.0032 3517 ARG 12 CD 0.0030 -0.0007 -0.0033 3518 ARG 12 NE 0.0032 -0.0003 -0.0034 3519 ARG 12 CZ 0.0034 -0.0006 -0.0037 3520 ARG 12 NH1 0.0033 -0.0013 -0.0039 3521 ARG 12 NH2 0.0036 -0.0002 -0.0038 3522 ARG 12 H 0.0024 -0.0013 -0.0028 3523 ARG 12 HA 0.0027 0.0001 -0.0026 3524 ARG 12 HB2 0.0025 -0.0010 -0.0027 3525 ARG 12 HB3 0.0030 -0.0011 -0.0035 3526 ARG 12 HG2 0.0035 -0.0001 -0.0036 3527 ARG 12 HG3 0.0030 0.0001 -0.0028 3528 ARG 12 HD2 0.0026 -0.0009 -0.0029 3529 ARG 12 HD3 0.0031 -0.0012 -0.0036 3530 ARG 12 HE 0.0033 0.0002 -0.0032 3531 ARG 12 HH11 0.0031 -0.0016 -0.0039 3532 ARG 12 HH12 0.0034 -0.0015 -0.0042 3533 ARG 12 HH21 0.0037 0.0003 -0.0036 3534 ARG 12 HH22 0.0037 -0.0004 -0.0041 3535 ALA 13 N 0.0038 0.0005 -0.0036 3536 ALA 13 CA 0.0045 0.0009 -0.0040 3537 ALA 13 C 0.0050 0.0012 -0.0044 3538 ALA 13 O 0.0053 0.0019 -0.0044 3539 ALA 13 CB 0.0045 0.0016 -0.0036 3540 ALA 13 H 0.0035 0.0008 -0.0031 3541 ALA 13 HA 0.0046 0.0004 -0.0044 3542 ALA 13 HB1 0.0050 0.0019 -0.0040 3543 ALA 13 HB2 0.0043 0.0020 -0.0032 3544 ALA 13 HB3 0.0042 0.0014 -0.0034 3545 GLY 14 N 0.0050 0.0006 -0.0047 3546 GLY 14 CA 0.0055 0.0008 -0.0051 3547 GLY 14 C 0.0053 0.0013 -0.0047 3548 GLY 14 O 0.0057 0.0016 -0.0049 3549 GLY 14 H 0.0047 0.0001 -0.0047 3550 GLY 14 HA2 0.0055 0.0003 -0.0054 3551 GLY 14 HA3 0.0059 0.0012 -0.0054 3552 LYS 15 N 0.0047 0.0014 -0.0040 3553 LYS 15 CA 0.0045 0.0019 -0.0035 3554 LYS 15 C 0.0038 0.0014 -0.0031 3555 LYS 15 O 0.0037 0.0009 -0.0032 3556 LYS 15 CB 0.0046 0.0027 -0.0031 3557 LYS 15 CG 0.0044 0.0027 -0.0030 3558 LYS 15 CD 0.0043 0.0035 -0.0025 3559 LYS 15 CE 0.0050 0.0042 -0.0028 3560 LYS 15 NZ 0.0049 0.0050 -0.0022 3561 LYS 15 H 0.0044 0.0011 -0.0039 3562 LYS 15 HA 0.0048 0.0019 -0.0038 3563 LYS 15 HB2 0.0042 0.0029 -0.0027 3564 LYS 15 HB3 0.0050 0.0031 -0.0034 3565 LYS 15 HG2 0.0048 0.0026 -0.0034 3566 LYS 15 HG3 0.0040 0.0022 -0.0028 3567 LYS 15 HD2 0.0041 0.0035 -0.0023 3568 LYS 15 HD3 0.0040 0.0037 -0.0021 3569 LYS 15 HE2 0.0052 0.0043 -0.0030 3570 LYS 15 HE3 0.0053 0.0041 -0.0031 3571 LYS 15 HZ1 0.0054 0.0055 -0.0025 3572 LYS 15 HZ2 0.0047 0.0052 -0.0019 3573 LYS 15 HZ3 0.0046 0.0050 -0.0020 3574 LYS 16 N 0.0034 0.0015 -0.0025 3575 LYS 16 CA 0.0027 0.0011 -0.0020 3576 LYS 16 C 0.0023 0.0010 -0.0016 3577 LYS 16 O 0.0025 0.0011 -0.0018 3578 LYS 16 CB 0.0025 0.0015 -0.0016 3579 LYS 16 CG 0.0027 0.0025 -0.0013 3580 LYS 16 CD 0.0027 0.0029 -0.0010 3581 LYS 16 CE 0.0030 0.0039 -0.0009 3582 LYS 16 NZ 0.0030 0.0043 -0.0006 3583 LYS 16 H 0.0035 0.0018 -0.0024 3584 LYS 16 HA 0.0026 0.0005 -0.0023 3585 LYS 16 HB2 0.0020 0.0013 -0.0012 3586 LYS 16 HB3 0.0027 0.0015 -0.0018 3587 LYS 16 HG2 0.0032 0.0027 -0.0017 3588 LYS 16 HG3 0.0024 0.0026 -0.0009 3589 LYS 16 HD2 0.0022 0.0028 -0.0005 3590 LYS 16 HD3 0.0029 0.0027 -0.0013 3591 LYS 16 HE2 0.0035 0.0040 -0.0014 3592 LYS 16 HE3 0.0028 0.0041 -0.0005 3593 LYS 16 HZ1 0.0031 0.0041 -0.0009 3594 LYS 16 HZ2 0.0025 0.0043 -0.0001 3595 LYS 16 HZ3 0.0033 0.0049 -0.0006 3596 TYR 17 N 0.0016 0.0007 -0.0011 3597 TYR 17 CA 0.0012 0.0006 -0.0007 3598 TYR 17 C 0.0010 0.0014 -0.0001 3599 TYR 17 O 0.0006 0.0014 0.0003 3600 TYR 17 CB 0.0006 -0.0002 -0.0004 3601 TYR 17 CG 0.0007 -0.0009 -0.0010 3602 TYR 17 CD1 0.0008 -0.0014 -0.0014 3603 TYR 17 CD2 0.0008 -0.0011 -0.0012 3604 TYR 17 CE1 0.0010 -0.0021 -0.0019 3605 TYR 17 CE2 0.0009 -0.0017 -0.0017 3606 TYR 17 CZ 0.0010 -0.0022 -0.0021 3607 TYR 17 OH 0.0012 -0.0029 -0.0026 3608 TYR 17 H 0.0015 0.0006 -0.0010 3609 TYR 17 HA 0.0014 0.0004 -0.0010 3610 TYR 17 HB2 0.0003 -0.0000 -0.0001 3611 TYR 17 HB3 0.0003 -0.0003 -0.0002 3612 TYR 17 HD1 0.0008 -0.0013 -0.0013 3613 TYR 17 HD2 0.0007 -0.0007 -0.0008 3614 TYR 17 HE1 0.0011 -0.0025 -0.0023 3615 TYR 17 HE2 0.0010 -0.0018 -0.0018 3616 TYR 17 HH 0.0008 -0.0034 -0.0025 3617 GLY 18 N 0.0014 0.0020 -0.0001 3618 GLY 18 CA 0.0013 0.0028 0.0003 3619 GLY 18 C 0.0007 0.0028 0.0011 3620 GLY 18 O 0.0005 0.0032 0.0015 3621 GLY 18 H 0.0016 0.0019 -0.0005 3622 GLY 18 HA2 0.0016 0.0032 0.0003 3623 GLY 18 HA3 0.0015 0.0030 0.0003 3624 PHE 19 N -0.0012 0.0011 0.0019 3625 PHE 19 CA -0.0013 0.0011 0.0024 3626 PHE 19 C -0.0013 0.0012 0.0025 3627 PHE 19 O -0.0013 0.0011 0.0020 3628 PHE 19 CB -0.0017 0.0007 0.0027 3629 PHE 19 CG -0.0020 0.0002 0.0024 3630 PHE 19 CD1 -0.0020 0.0001 0.0019 3631 PHE 19 CD2 -0.0022 0.0001 0.0028 3632 PHE 19 CE1 -0.0023 -0.0003 0.0016 3633 PHE 19 CE2 -0.0025 -0.0003 0.0025 3634 PHE 19 CZ -0.0025 -0.0005 0.0020 3635 PHE 19 H -0.0012 0.0011 0.0015 3636 PHE 19 HA -0.0012 0.0014 0.0027 3637 PHE 19 HB2 -0.0018 0.0007 0.0031 3638 PHE 19 HB3 -0.0018 0.0006 0.0026 3639 PHE 19 HD1 -0.0019 0.0002 0.0016 3640 PHE 19 HD2 -0.0022 0.0002 0.0032 3641 PHE 19 HE1 -0.0023 -0.0005 0.0012 3642 PHE 19 HE2 -0.0026 -0.0005 0.0028 3643 PHE 19 HZ -0.0027 -0.0008 0.0018 3644 THR 20 N -0.0012 0.0014 0.0030 3645 THR 20 CA -0.0012 0.0015 0.0031 3646 THR 20 C -0.0015 0.0011 0.0033 3647 THR 20 O -0.0017 0.0010 0.0038 3648 THR 20 CB -0.0009 0.0020 0.0035 3649 THR 20 OG1 -0.0006 0.0023 0.0032 3650 THR 20 CG2 -0.0008 0.0021 0.0036 3651 THR 20 H -0.0013 0.0015 0.0033 3652 THR 20 HA -0.0011 0.0015 0.0027 3653 THR 20 HB -0.0010 0.0019 0.0039 3654 THR 20 HG1 -0.0006 0.0022 0.0029 3655 THR 20 HG21 -0.0006 0.0022 0.0032 3656 THR 20 HG22 -0.0011 0.0018 0.0037 3657 THR 20 HG23 -0.0007 0.0024 0.0039 3658 LEU 21 N -0.0017 0.0009 0.0030 3659 LEU 21 CA -0.0020 0.0005 0.0032 3660 LEU 21 C -0.0019 0.0007 0.0036 3661 LEU 21 O -0.0018 0.0007 0.0033 3662 LEU 21 CB -0.0022 0.0001 0.0028 3663 LEU 21 CG -0.0026 -0.0004 0.0029 3664 LEU 21 CD1 -0.0027 -0.0004 0.0035 3665 LEU 21 CD2 -0.0028 -0.0007 0.0025 3666 LEU 21 H -0.0015 0.0009 0.0026 3667 LEU 21 HA -0.0022 0.0003 0.0035 3668 LEU 21 HB2 -0.0021 0.0001 0.0024 3669 LEU 21 HB3 -0.0021 0.0002 0.0026 3670 LEU 21 HG -0.0027 -0.0005 0.0030 3671 LEU 21 HD11 -0.0026 -0.0002 0.0038 3672 LEU 21 HD12 -0.0030 -0.0008 0.0036 3673 LEU 21 HD13 -0.0027 -0.0003 0.0035 3674 LEU 21 HD21 -0.0027 -0.0007 0.0024 3675 LEU 21 HD22 -0.0031 -0.0011 0.0025 3676 LEU 21 HD23 -0.0026 -0.0007 0.0020 3677 ARG 22 N -0.0019 0.0009 0.0041 3678 ARG 22 CA -0.0018 0.0011 0.0045 3679 ARG 22 C -0.0021 0.0007 0.0046 3680 ARG 22 O -0.0024 0.0004 0.0048 3681 ARG 22 CB -0.0017 0.0014 0.0050 3682 ARG 22 CG -0.0014 0.0018 0.0053 3683 ARG 22 CD -0.0010 0.0022 0.0049 3684 ARG 22 NE -0.0007 0.0027 0.0052 3685 ARG 22 CZ -0.0004 0.0030 0.0049 3686 ARG 22 NH1 -0.0003 0.0030 0.0044 3687 ARG 22 NH2 -0.0001 0.0034 0.0052 3688 ARG 22 H -0.0019 0.0009 0.0043 3689 ARG 22 HA -0.0015 0.0014 0.0042 3690 ARG 22 HB2 -0.0016 0.0014 0.0050 3691 ARG 22 HB3 -0.0020 0.0011 0.0054 3692 ARG 22 HG2 -0.0014 0.0019 0.0057 3693 ARG 22 HG3 -0.0014 0.0018 0.0052 3694 ARG 22 HD2 -0.0010 0.0021 0.0045 3695 ARG 22 HD3 -0.0010 0.0022 0.0049 3696 ARG 22 HE -0.0008 0.0027 0.0056 3697 ARG 22 HH11 -0.0005 0.0027 0.0041 3698 ARG 22 HH12 -0.0000 0.0033 0.0041 3699 ARG 22 HH21 -0.0002 0.0034 0.0056 3700 ARG 22 HH22 0.0001 0.0037 0.0050 3701 ALA 23 N -0.0020 0.0008 0.0045 3702 ALA 23 CA -0.0023 0.0005 0.0046 3703 ALA 23 C -0.0023 0.0006 0.0052 3704 ALA 23 O -0.0020 0.0011 0.0054 3705 ALA 23 CB -0.0022 0.0005 0.0042 3706 ALA 23 H -0.0017 0.0011 0.0044 3707 ALA 23 HA -0.0025 0.0002 0.0046 3708 ALA 23 HB1 -0.0019 0.0009 0.0042 3709 ALA 23 HB2 -0.0022 0.0004 0.0038 3710 ALA 23 HB3 -0.0024 0.0003 0.0043 3711 ILE 24 N -0.0026 0.0003 0.0055 3712 ILE 24 CA -0.0027 0.0004 0.0061 3713 ILE 24 C -0.0030 -0.0000 0.0063 3714 ILE 24 O -0.0033 -0.0004 0.0062 3715 ILE 24 CB -0.0027 0.0005 0.0066 3716 ILE 24 CG1 -0.0029 0.0002 0.0064 3717 ILE 24 CG2 -0.0023 0.0010 0.0067 3718 ILE 24 CD1 -0.0030 0.0002 0.0069 3719 ILE 24 H -0.0028 -0.0000 0.0054 3720 ILE 24 HA -0.0025 0.0007 0.0061 3721 ILE 24 HB -0.0028 0.0004 0.0070 3722 ILE 24 HG12 -0.0027 0.0003 0.0061 3723 ILE 24 HG13 -0.0031 -0.0002 0.0063 3724 ILE 24 HG21 -0.0021 0.0011 0.0063 3725 ILE 24 HG22 -0.0022 0.0012 0.0068 3726 ILE 24 HG23 -0.0023 0.0011 0.0070 3727 ILE 24 HD11 -0.0031 0.0001 0.0073 3728 ILE 24 HD12 -0.0032 -0.0001 0.0068 3729 ILE 24 HD13 -0.0028 0.0005 0.0070 3730 ARG 25 N -0.0002 -0.0019 0.0054 3731 ARG 25 CA -0.0008 -0.0000 0.0032 3732 ARG 25 C 0.0002 -0.0007 0.0029 3733 ARG 25 O 0.0023 -0.0019 0.0016 3734 ARG 25 CB 0.0003 0.0006 0.0005 3735 ARG 25 CG -0.0005 0.0012 0.0007 3736 ARG 25 CD 0.0004 0.0021 -0.0021 3737 ARG 25 NE 0.0031 0.0004 -0.0032 3738 ARG 25 CZ 0.0044 0.0009 -0.0057 3739 ARG 25 NH1 0.0033 0.0029 -0.0074 3740 ARG 25 NH2 0.0068 -0.0007 -0.0066 3741 ARG 25 H 0.0014 -0.0031 0.0050 3742 ARG 25 HA -0.0027 0.0013 0.0037 3743 ARG 25 HB2 0.0022 -0.0007 -0.0001 3744 ARG 25 HB3 -0.0002 0.0021 -0.0011 3745 ARG 25 HG2 -0.0025 0.0025 0.0014 3746 ARG 25 HG3 0.0002 -0.0002 0.0020 3747 ARG 25 HD2 -0.0002 0.0035 -0.0036 3748 ARG 25 HD3 -0.0003 0.0027 -0.0020 3749 ARG 25 HE 0.0039 -0.0011 -0.0020 3750 ARG 25 HH11 0.0015 0.0041 -0.0068 3751 ARG 25 HH12 0.0042 0.0032 -0.0093 3752 ARG 25 HH21 0.0076 -0.0023 -0.0054 3753 ARG 25 HH22 0.0077 -0.0004 -0.0085 3754 VAL 26 N -0.0014 0.0000 0.0040 3755 VAL 26 CA -0.0007 -0.0005 0.0039 3756 VAL 26 C -0.0003 0.0009 0.0010 3757 VAL 26 O -0.0020 0.0029 0.0002 3758 VAL 26 CB -0.0026 -0.0002 0.0061 3759 VAL 26 CG1 -0.0023 -0.0022 0.0088 3760 VAL 26 CG2 -0.0052 0.0019 0.0063 3761 VAL 26 H -0.0031 0.0009 0.0049 3762 VAL 26 HA 0.0009 -0.0023 0.0043 3763 VAL 26 HB -0.0024 -0.0000 0.0054 3764 VAL 26 HG11 -0.0040 -0.0017 0.0105 3765 VAL 26 HG12 -0.0015 -0.0030 0.0089 3766 VAL 26 HG13 -0.0011 -0.0034 0.0090 3767 VAL 26 HG21 -0.0053 0.0033 0.0043 3768 VAL 26 HG22 -0.0055 0.0017 0.0072 3769 VAL 26 HG23 -0.0065 0.0022 0.0077 3770 TYR 27 N 0.0019 -0.0002 -0.0005 3771 TYR 27 CA 0.0026 0.0009 -0.0032 3772 TYR 27 C 0.0020 0.0012 -0.0029 3773 TYR 27 O 0.0034 -0.0004 -0.0024 3774 TYR 27 CB 0.0052 -0.0005 -0.0049 3775 TYR 27 CG 0.0058 -0.0003 -0.0059 3776 TYR 27 CD1 0.0059 -0.0015 -0.0042 3777 TYR 27 CD2 0.0062 0.0011 -0.0086 3778 TYR 27 CE1 0.0064 -0.0013 -0.0051 3779 TYR 27 CE2 0.0067 0.0012 -0.0096 3780 TYR 27 CZ 0.0068 0.0000 -0.0079 3781 TYR 27 OH 0.0073 0.0002 -0.0088 3782 TYR 27 H 0.0032 -0.0018 0.0003 3783 TYR 27 HA 0.0015 0.0025 -0.0042 3784 TYR 27 HB2 0.0063 -0.0022 -0.0036 3785 TYR 27 HB3 0.0058 0.0001 -0.0066 3786 TYR 27 HD1 0.0056 -0.0025 -0.0021 3787 TYR 27 HD2 0.0061 0.0020 -0.0100 3788 TYR 27 HE1 0.0065 -0.0022 -0.0038 3789 TYR 27 HE2 0.0069 0.0023 -0.0117 3790 TYR 27 HH 0.0067 0.0016 -0.0103 3791 MET 28 N -0.0000 0.0031 -0.0032 3792 MET 28 CA -0.0007 0.0036 -0.0029 3793 MET 28 C -0.0013 0.0057 -0.0054 3794 MET 28 O -0.0028 0.0075 -0.0061 3795 MET 28 CB -0.0029 0.0040 -0.0003 3796 MET 28 CG -0.0024 0.0019 0.0023 3797 MET 28 SD -0.0049 0.0023 0.0054 3798 MET 28 CE -0.0072 0.0044 0.0051 3799 MET 28 H -0.0010 0.0043 -0.0036 3800 MET 28 HA 0.0008 0.0023 -0.0028 3801 MET 28 HB2 -0.0043 0.0052 -0.0003 3802 MET 28 HB3 -0.0036 0.0045 -0.0003 3803 MET 28 HG2 -0.0009 0.0006 0.0022 3804 MET 28 HG3 -0.0020 0.0015 0.0024 3805 MET 28 HE1 -0.0077 0.0059 0.0034 3806 MET 28 HE2 -0.0065 0.0039 0.0050 3807 MET 28 HE3 -0.0088 0.0047 0.0070 3808 GLY 29 N -0.0002 0.0055 -0.0067 3809 GLY 29 CA -0.0006 0.0074 -0.0091 3810 GLY 29 C 0.0017 0.0067 -0.0114 3811 GLY 29 O 0.0037 0.0049 -0.0113 3812 GLY 29 H 0.0009 0.0041 -0.0060 3813 GLY 29 HA2 -0.0017 0.0080 -0.0086 3814 GLY 29 HA3 -0.0017 0.0087 -0.0098 3815 ASP 30 N 0.0016 0.0082 -0.0136 3816 ASP 30 CA 0.0037 0.0077 -0.0159 3817 ASP 30 C 0.0048 0.0077 -0.0175 3818 ASP 30 O 0.0070 0.0062 -0.0182 3819 ASP 30 CB 0.0032 0.0093 -0.0178 3820 ASP 30 CG 0.0015 0.0117 -0.0192 3821 ASP 30 OD1 0.0024 0.0123 -0.0215 3822 ASP 30 OD2 -0.0007 0.0130 -0.0181 3823 ASP 30 H 0.0000 0.0096 -0.0136 3824 ASP 30 HA 0.0051 0.0060 -0.0151 3825 ASP 30 HB2 0.0049 0.0088 -0.0194 3826 ASP 30 HB3 0.0024 0.0093 -0.0166 3827 SER 31 N 0.0032 0.0069 -0.0218 3828 SER 31 CA 0.0042 0.0069 -0.0235 3829 SER 31 C 0.0050 0.0050 -0.0213 3830 SER 31 O 0.0048 0.0038 -0.0185 3831 SER 31 CB 0.0020 0.0095 -0.0247 3832 SER 31 OG 0.0003 0.0113 -0.0251 3833 SER 31 H 0.0013 0.0083 -0.0210 3834 SER 31 HA 0.0059 0.0063 -0.0255 3835 SER 31 HB2 0.0009 0.0097 -0.0230 3836 SER 31 HB3 0.0029 0.0098 -0.0270 3837 SER 31 HG 0.0013 0.0107 -0.0259 3838 ASP 32 N 0.0058 0.0049 -0.0225 3839 ASP 32 CA 0.0066 0.0032 -0.0206 3840 ASP 32 C 0.0042 0.0043 -0.0184 3841 ASP 32 O 0.0042 0.0040 -0.0177 3842 ASP 32 CB 0.0083 0.0027 -0.0229 3843 ASP 32 CG 0.0107 0.0000 -0.0220 3844 ASP 32 OD1 0.0105 -0.0009 -0.0198 3845 ASP 32 OD2 0.0128 -0.0013 -0.0234 3846 ASP 32 H 0.0058 0.0059 -0.0247 3847 ASP 32 HA 0.0077 0.0015 -0.0193 3848 ASP 32 HB2 0.0089 0.0033 -0.0253 3849 ASP 32 HB3 0.0071 0.0038 -0.0229 3850 VAL 33 N 0.0021 0.0057 -0.0172 3851 VAL 33 CA -0.0003 0.0069 -0.0150 3852 VAL 33 C -0.0002 0.0050 -0.0116 3853 VAL 33 O 0.0009 0.0035 -0.0105 3854 VAL 33 CB -0.0027 0.0091 -0.0151 3855 VAL 33 CG1 -0.0022 0.0084 -0.0146 3856 VAL 33 CG2 -0.0052 0.0103 -0.0127 3857 VAL 33 H 0.0022 0.0059 -0.0177 3858 VAL 33 HA -0.0006 0.0075 -0.0158 3859 VAL 33 HB -0.0029 0.0105 -0.0175 3860 VAL 33 HG11 -0.0006 0.0079 -0.0165 3861 VAL 33 HG12 -0.0040 0.0100 -0.0146 3862 VAL 33 HG13 -0.0018 0.0069 -0.0124 3863 VAL 33 HG21 -0.0068 0.0118 -0.0127 3864 VAL 33 HG22 -0.0057 0.0110 -0.0132 3865 VAL 33 HG23 -0.0050 0.0089 -0.0103 3866 TYR 34 N -0.0012 0.0052 -0.0099 3867 TYR 34 CA -0.0012 0.0035 -0.0067 3868 TYR 34 C -0.0036 0.0049 -0.0047 3869 TYR 34 O -0.0048 0.0066 -0.0061 3870 TYR 34 CB 0.0012 0.0013 -0.0067 3871 TYR 34 CG 0.0014 0.0020 -0.0084 3872 TYR 34 CD1 0.0027 0.0024 -0.0117 3873 TYR 34 CD2 0.0003 0.0022 -0.0068 3874 TYR 34 CE1 0.0029 0.0030 -0.0133 3875 TYR 34 CE2 0.0005 0.0028 -0.0084 3876 TYR 34 CZ 0.0018 0.0032 -0.0117 3877 TYR 34 OH 0.0019 0.0039 -0.0133 3878 TYR 34 H -0.0020 0.0064 -0.0110 3879 TYR 34 HA -0.0011 0.0029 -0.0056 3880 TYR 34 HB2 0.0012 0.0001 -0.0042 3881 TYR 34 HB3 0.0030 0.0002 -0.0078 3882 TYR 34 HD1 0.0035 0.0023 -0.0130 3883 TYR 34 HD2 -0.0006 0.0018 -0.0043 3884 TYR 34 HE1 0.0039 0.0034 -0.0159 3885 TYR 34 HE2 -0.0003 0.0030 -0.0071 3886 TYR 34 HH 0.0008 0.0056 -0.0146 3887 THR 35 N -0.0044 0.0040 -0.0016 3888 THR 35 CA -0.0067 0.0052 0.0004 3889 THR 35 C -0.0060 0.0034 0.0026 3890 THR 35 O -0.0046 0.0013 0.0042 3891 THR 35 CB -0.0087 0.0060 0.0026 3892 THR 35 OG1 -0.0077 0.0052 0.0021 3893 THR 35 CG2 -0.0113 0.0088 0.0018 3894 THR 35 H -0.0034 0.0026 -0.0006 3895 THR 35 HA -0.0077 0.0068 -0.0011 3896 THR 35 HB -0.0091 0.0051 0.0050 3897 THR 35 HG1 -0.0070 0.0057 -0.0001 3898 THR 35 HG21 -0.0127 0.0093 0.0033 3899 THR 35 HG22 -0.0110 0.0097 -0.0007 3900 THR 35 HG23 -0.0121 0.0093 0.0021 3901 VAL 36 N -0.0068 0.0043 0.0024 3902 VAL 36 CA -0.0062 0.0027 0.0043 3903 VAL 36 C -0.0080 0.0028 0.0077 3904 VAL 36 O -0.0103 0.0046 0.0083 3905 VAL 36 CB -0.0063 0.0036 0.0028 3906 VAL 36 CG1 -0.0051 0.0017 0.0044 3907 VAL 36 CG2 -0.0049 0.0041 -0.0008 3908 VAL 36 H -0.0079 0.0060 0.0010 3909 VAL 36 HA -0.0042 0.0009 0.0044 3910 VAL 36 HB -0.0083 0.0053 0.0031 3911 VAL 36 HG11 -0.0047 0.0021 0.0029 3912 VAL 36 HG12 -0.0033 -0.0001 0.0046 3913 VAL 36 HG13 -0.0064 0.0018 0.0067 3914 VAL 36 HG21 -0.0059 0.0056 -0.0020 3915 VAL 36 HG22 -0.0029 0.0024 -0.0013 3916 VAL 36 HG23 -0.0050 0.0047 -0.0018 3917 HIS 37 N -0.0050 -0.0003 0.0054 3918 HIS 37 CA -0.0051 -0.0004 0.0053 3919 HIS 37 C -0.0047 -0.0000 0.0050 3920 HIS 37 O -0.0044 0.0004 0.0049 3921 HIS 37 CB -0.0052 -0.0005 0.0059 3922 HIS 37 CG -0.0056 -0.0010 0.0061 3923 HIS 37 ND1 -0.0059 -0.0014 0.0058 3924 HIS 37 CD2 -0.0057 -0.0011 0.0067 3925 HIS 37 CE1 -0.0061 -0.0017 0.0062 3926 HIS 37 NE2 -0.0061 -0.0015 0.0067 3927 HIS 37 H -0.0048 -0.0001 0.0056 3928 HIS 37 HA -0.0053 -0.0008 0.0050 3929 HIS 37 HB2 -0.0050 -0.0002 0.0062 3930 HIS 37 HB3 -0.0052 -0.0006 0.0058 3931 HIS 37 HD2 -0.0056 -0.0008 0.0071 3932 HIS 37 HE1 -0.0064 -0.0021 0.0060 3933 HIS 37 HE2 -0.0062 -0.0017 0.0071 3934 HIS 38 N -0.0048 -0.0001 0.0049 3935 HIS 38 CA -0.0045 0.0003 0.0046 3936 HIS 38 C -0.0045 0.0003 0.0048 3937 HIS 38 O -0.0048 -0.0001 0.0050 3938 HIS 38 CB -0.0044 0.0002 0.0039 3939 HIS 38 CG -0.0044 0.0002 0.0036 3940 HIS 38 ND1 -0.0041 0.0006 0.0036 3941 HIS 38 CD2 -0.0047 -0.0002 0.0034 3942 HIS 38 CE1 -0.0042 0.0005 0.0033 3943 HIS 38 NE2 -0.0045 -0.0000 0.0032 3944 HIS 38 H -0.0050 -0.0004 0.0050 3945 HIS 38 HA -0.0042 0.0006 0.0047 3946 HIS 38 HB2 -0.0047 -0.0001 0.0038 3947 HIS 38 HB3 -0.0042 0.0005 0.0037 3948 HIS 38 HD2 -0.0049 -0.0006 0.0034 3949 HIS 38 HE1 -0.0040 0.0007 0.0032 3950 HIS 38 HE2 -0.0046 -0.0002 0.0031 3951 MET 39 N -0.0042 0.0007 0.0049 3952 MET 39 CA -0.0042 0.0007 0.0051 3953 MET 39 C -0.0039 0.0011 0.0048 3954 MET 39 O -0.0036 0.0014 0.0046 3955 MET 39 CB -0.0042 0.0009 0.0058 3956 MET 39 CG -0.0045 0.0005 0.0062 3957 MET 39 SD -0.0046 0.0005 0.0069 3958 MET 39 CE -0.0042 0.0011 0.0072 3959 MET 39 H -0.0040 0.0010 0.0047 3960 MET 39 HA -0.0045 0.0003 0.0050 3961 MET 39 HB2 -0.0039 0.0012 0.0058 3962 MET 39 HB3 -0.0041 0.0009 0.0059 3963 MET 39 HG2 -0.0047 0.0001 0.0060 3964 MET 39 HG3 -0.0044 0.0006 0.0062 3965 MET 39 HE1 -0.0042 0.0012 0.0076 3966 MET 39 HE2 -0.0039 0.0014 0.0069 3967 MET 39 HE3 -0.0041 0.0012 0.0072 3968 VAL 40 N -0.0040 0.0010 0.0047 3969 VAL 40 CA -0.0037 0.0013 0.0044 3970 VAL 40 C -0.0034 0.0017 0.0048 3971 VAL 40 O -0.0035 0.0017 0.0052 3972 VAL 40 CB -0.0039 0.0010 0.0041 3973 VAL 40 CG1 -0.0041 0.0008 0.0046 3974 VAL 40 CG2 -0.0036 0.0014 0.0039 3975 VAL 40 H -0.0042 0.0007 0.0048 3976 VAL 40 HA -0.0036 0.0014 0.0040 3977 VAL 40 HB -0.0040 0.0007 0.0038 3978 VAL 40 HG11 -0.0042 0.0006 0.0045 3979 VAL 40 HG12 -0.0040 0.0010 0.0050 3980 VAL 40 HG13 -0.0043 0.0005 0.0048 3981 VAL 40 HG21 -0.0034 0.0016 0.0036 3982 VAL 40 HG22 -0.0035 0.0016 0.0042 3983 VAL 40 HG23 -0.0037 0.0012 0.0036 3984 TRP 41 N -0.0031 0.0021 0.0046 3985 TRP 41 CA -0.0028 0.0026 0.0050 3986 TRP 41 C -0.0026 0.0028 0.0049 3987 TRP 41 O -0.0025 0.0030 0.0053 3988 TRP 41 CB -0.0025 0.0029 0.0048 3989 TRP 41 CG -0.0023 0.0033 0.0053 3990 TRP 41 CD1 -0.0019 0.0038 0.0053 3991 TRP 41 CD2 -0.0025 0.0032 0.0059 3992 TRP 41 NE1 -0.0019 0.0040 0.0058 3993 TRP 41 CE2 -0.0022 0.0037 0.0062 3994 TRP 41 CE3 -0.0028 0.0028 0.0062 3995 TRP 41 CZ2 -0.0022 0.0037 0.0068 3996 TRP 41 CZ3 -0.0028 0.0028 0.0068 3997 TRP 41 CH2 -0.0025 0.0033 0.0071 3998 TRP 41 H -0.0031 0.0021 0.0043 3999 TRP 41 HA -0.0029 0.0025 0.0055 4000 TRP 41 HB2 -0.0027 0.0027 0.0047 4001 TRP 41 HB3 -0.0023 0.0031 0.0044 4002 TRP 41 HD1 -0.0018 0.0040 0.0048 4003 TRP 41 HE1 -0.0016 0.0044 0.0059 4004 TRP 41 HE3 -0.0030 0.0024 0.0060 4005 TRP 41 HZ2 -0.0020 0.0041 0.0070 4006 TRP 41 HZ3 -0.0031 0.0025 0.0071 4007 TRP 41 HH2 -0.0026 0.0033 0.0076 4008 HIS 42 N -0.0026 0.0028 0.0043 4009 HIS 42 CA -0.0024 0.0030 0.0042 4010 HIS 42 C -0.0025 0.0027 0.0036 4011 HIS 42 O -0.0026 0.0026 0.0032 4012 HIS 42 CB -0.0020 0.0035 0.0040 4013 HIS 42 CG -0.0018 0.0038 0.0042 4014 HIS 42 ND1 -0.0016 0.0042 0.0047 4015 HIS 42 CD2 -0.0017 0.0039 0.0039 4016 HIS 42 CE1 -0.0014 0.0044 0.0047 4017 HIS 42 NE2 -0.0015 0.0042 0.0042 4018 HIS 42 H -0.0027 0.0026 0.0040 4019 HIS 42 HA -0.0025 0.0030 0.0045 4020 HIS 42 HB2 -0.0019 0.0037 0.0043 4021 HIS 42 HB3 -0.0019 0.0036 0.0036 4022 HIS 42 HD2 -0.0018 0.0037 0.0035 4023 HIS 42 HE1 -0.0013 0.0047 0.0050 4024 HIS 42 HE2 -0.0015 0.0043 0.0041 4025 VAL 43 N -0.0018 0.0040 0.0030 4026 VAL 43 CA -0.0012 0.0036 0.0024 4027 VAL 43 C -0.0005 0.0043 0.0021 4028 VAL 43 O -0.0005 0.0051 0.0024 4029 VAL 43 CB -0.0016 0.0031 0.0025 4030 VAL 43 CG1 -0.0019 0.0037 0.0029 4031 VAL 43 CG2 -0.0009 0.0027 0.0019 4032 VAL 43 H -0.0020 0.0046 0.0033 4033 VAL 43 HA -0.0010 0.0031 0.0021 4034 VAL 43 HB -0.0020 0.0025 0.0026 4035 VAL 43 HG11 -0.0025 0.0038 0.0034 4036 VAL 43 HG12 -0.0021 0.0033 0.0029 4037 VAL 43 HG13 -0.0015 0.0043 0.0029 4038 VAL 43 HG21 -0.0006 0.0022 0.0016 4039 VAL 43 HG22 -0.0005 0.0032 0.0018 4040 VAL 43 HG23 -0.0012 0.0023 0.0020 4041 GLU 44 N 0.0002 0.0041 0.0016 4042 GLU 44 CA 0.0009 0.0047 0.0012 4043 GLU 44 C 0.0012 0.0049 0.0011 4044 GLU 44 O 0.0014 0.0042 0.0008 4045 GLU 44 CB 0.0015 0.0043 0.0007 4046 GLU 44 CG 0.0015 0.0045 0.0008 4047 GLU 44 CD 0.0019 0.0039 0.0003 4048 GLU 44 OE1 0.0016 0.0031 0.0002 4049 GLU 44 OE2 0.0026 0.0042 -0.0001 4050 GLU 44 H 0.0002 0.0035 0.0014 4051 GLU 44 HA 0.0009 0.0054 0.0015 4052 GLU 44 HB2 0.0015 0.0036 0.0005 4053 GLU 44 HB3 0.0021 0.0047 0.0004 4054 GLU 44 HG2 0.0017 0.0052 0.0008 4055 GLU 44 HG3 0.0008 0.0043 0.0012 4056 ASP 45 N 0.0012 0.0057 0.0013 4057 ASP 45 CA 0.0015 0.0059 0.0012 4058 ASP 45 C 0.0024 0.0062 0.0006 4059 ASP 45 O 0.0027 0.0068 0.0006 4060 ASP 45 CB 0.0011 0.0068 0.0017 4061 ASP 45 CG 0.0013 0.0076 0.0018 4062 ASP 45 OD1 0.0011 0.0076 0.0020 4063 ASP 45 OD2 0.0017 0.0083 0.0018 4064 ASP 45 H 0.0011 0.0062 0.0016 4065 ASP 45 HA 0.0012 0.0054 0.0012 4066 ASP 45 HB2 0.0013 0.0070 0.0017 4067 ASP 45 HB3 0.0005 0.0066 0.0021 4068 GLY 46 N 0.0028 0.0056 0.0002 4069 GLY 46 CA 0.0036 0.0057 -0.0004 4070 GLY 46 C 0.0039 0.0049 -0.0009 4071 GLY 46 O 0.0047 0.0050 -0.0014 4072 GLY 46 H 0.0025 0.0050 0.0002 4073 GLY 46 HA2 0.0038 0.0063 -0.0003 4074 GLY 46 HA3 0.0038 0.0058 -0.0005 4075 GLY 47 N 0.0034 0.0042 -0.0007 4076 GLY 47 CA 0.0037 0.0034 -0.0012 4077 GLY 47 C 0.0031 0.0025 -0.0010 4078 GLY 47 O 0.0030 0.0022 -0.0010 4079 GLY 47 H 0.0029 0.0042 -0.0003 4080 GLY 47 HA2 0.0039 0.0036 -0.0012 4081 GLY 47 HA3 0.0042 0.0033 -0.0016 4082 PRO 48 N 0.0028 0.0021 -0.0009 4083 PRO 48 CA 0.0023 0.0012 -0.0008 4084 PRO 48 C 0.0015 0.0012 -0.0003 4085 PRO 48 O 0.0015 0.0015 -0.0002 4086 PRO 48 CB 0.0021 0.0011 -0.0007 4087 PRO 48 CG 0.0028 0.0016 -0.0011 4088 PRO 48 CD 0.0030 0.0025 -0.0010 4089 PRO 48 HA 0.0026 0.0007 -0.0012 4090 PRO 48 HB2 0.0016 0.0014 -0.0003 4091 PRO 48 HB3 0.0020 0.0004 -0.0009 4092 PRO 48 HG2 0.0027 0.0018 -0.0009 4093 PRO 48 HG3 0.0033 0.0012 -0.0015 4094 PRO 48 HD2 0.0027 0.0030 -0.0006 4095 PRO 48 HD3 0.0037 0.0027 -0.0013 4096 ALA 49 N 0.0010 0.0008 0.0003 4097 ALA 49 CA 0.0003 0.0007 0.0007 4098 ALA 49 C 0.0002 0.0015 0.0009 4099 ALA 49 O -0.0001 0.0013 0.0011 4100 ALA 49 CB -0.0003 0.0005 0.0011 4101 ALA 49 H 0.0010 0.0007 0.0002 4102 ALA 49 HA 0.0003 0.0002 0.0006 4103 ALA 49 HB1 -0.0006 -0.0001 0.0012 4104 ALA 49 HB2 -0.0006 0.0010 0.0014 4105 ALA 49 HB3 -0.0001 0.0004 0.0009 4106 SER 50 N 0.0003 0.0023 0.0010 4107 SER 50 CA 0.0002 0.0030 0.0012 4108 SER 50 C 0.0006 0.0030 0.0009 4109 SER 50 O 0.0002 0.0030 0.0012 4110 SER 50 CB 0.0004 0.0038 0.0012 4111 SER 50 OG -0.0002 0.0041 0.0016 4112 SER 50 H 0.0006 0.0023 0.0008 4113 SER 50 HA -0.0004 0.0030 0.0016 4114 SER 50 HB2 0.0008 0.0037 0.0009 4115 SER 50 HB3 0.0006 0.0043 0.0011 4116 SER 50 HG -0.0000 0.0044 0.0016 4117 GLU 51 N 0.0013 0.0031 0.0004 4118 GLU 51 CA 0.0017 0.0031 0.0002 4119 GLU 51 C 0.0015 0.0023 0.0001 4120 GLU 51 O 0.0016 0.0023 0.0001 4121 GLU 51 CB 0.0025 0.0032 -0.0004 4122 GLU 51 CG 0.0026 0.0040 -0.0004 4123 GLU 51 CD 0.0033 0.0045 -0.0008 4124 GLU 51 OE1 0.0039 0.0041 -0.0012 4125 GLU 51 OE2 0.0033 0.0053 -0.0007 4126 GLU 51 H 0.0015 0.0030 0.0003 4127 GLU 51 HA 0.0015 0.0037 0.0003 4128 GLU 51 HB2 0.0026 0.0027 -0.0006 4129 GLU 51 HB3 0.0028 0.0034 -0.0006 4130 GLU 51 HG2 0.0022 0.0044 -0.0000 4131 GLU 51 HG3 0.0027 0.0037 -0.0004 4132 ALA 52 N 0.0013 0.0016 0.0002 4133 ALA 52 CA 0.0011 0.0008 0.0002 4134 ALA 52 C 0.0005 0.0009 0.0006 4135 ALA 52 O 0.0004 0.0004 0.0006 4136 ALA 52 CB 0.0010 0.0001 0.0002 4137 ALA 52 H 0.0013 0.0017 0.0002 4138 ALA 52 HA 0.0016 0.0007 -0.0002 4139 ALA 52 HB1 0.0014 0.0002 -0.0001 4140 ALA 52 HB2 0.0010 -0.0005 0.0000 4141 ALA 52 HB3 0.0005 0.0002 0.0005 4142 GLY 53 N 0.0000 0.0014 0.0010 4143 GLY 53 CA -0.0006 0.0015 0.0015 4144 GLY 53 C -0.0012 0.0016 0.0019 4145 GLY 53 O -0.0018 0.0018 0.0024 4146 GLY 53 H 0.0001 0.0018 0.0010 4147 GLY 53 HA2 -0.0005 0.0021 0.0015 4148 GLY 53 HA3 -0.0007 0.0010 0.0014 4149 LEU 54 N -0.0012 0.0014 0.0019 4150 LEU 54 CA -0.0018 0.0014 0.0023 4151 LEU 54 C -0.0020 0.0023 0.0026 4152 LEU 54 O -0.0016 0.0028 0.0024 4153 LEU 54 CB -0.0017 0.0009 0.0022 4154 LEU 54 CG -0.0023 0.0004 0.0025 4155 LEU 54 CD1 -0.0021 0.0001 0.0023 4156 LEU 54 CD2 -0.0029 0.0010 0.0030 4157 LEU 54 H -0.0007 0.0012 0.0015 4158 LEU 54 HA -0.0022 0.0010 0.0026 4159 LEU 54 HB2 -0.0013 0.0005 0.0018 4160 LEU 54 HB3 -0.0015 0.0014 0.0021 4161 LEU 54 HG -0.0025 -0.0001 0.0026 4162 LEU 54 HD11 -0.0018 -0.0004 0.0020 4163 LEU 54 HD12 -0.0026 -0.0002 0.0026 4164 LEU 54 HD13 -0.0019 0.0006 0.0022 4165 LEU 54 HD21 -0.0028 0.0015 0.0030 4166 LEU 54 HD22 -0.0034 0.0006 0.0033 4167 LEU 54 HD23 -0.0030 0.0013 0.0032 4168 ARG 55 N -0.0027 0.0013 0.0002 4169 ARG 55 CA -0.0031 0.0018 0.0002 4170 ARG 55 C -0.0036 0.0020 0.0007 4171 ARG 55 O -0.0037 0.0016 0.0012 4172 ARG 55 CB -0.0031 0.0018 0.0003 4173 ARG 55 CG -0.0032 0.0013 0.0007 4174 ARG 55 CD -0.0037 0.0016 0.0012 4175 ARG 55 NE -0.0038 0.0020 0.0010 4176 ARG 55 CZ -0.0042 0.0023 0.0013 4177 ARG 55 NH1 -0.0046 0.0022 0.0018 4178 ARG 55 NH2 -0.0043 0.0026 0.0011 4179 ARG 55 H -0.0027 0.0009 0.0004 4180 ARG 55 HA -0.0030 0.0022 -0.0001 4181 ARG 55 HB2 -0.0034 0.0022 0.0003 4182 ARG 55 HB3 -0.0028 0.0018 -0.0001 4183 ARG 55 HG2 -0.0029 0.0011 0.0006 4184 ARG 55 HG3 -0.0031 0.0010 0.0009 4185 ARG 55 HD2 -0.0037 0.0012 0.0015 4186 ARG 55 HD3 -0.0039 0.0018 0.0013 4187 ARG 55 HE -0.0035 0.0020 0.0006 4188 ARG 55 HH11 -0.0045 0.0020 0.0019 4189 ARG 55 HH12 -0.0049 0.0025 0.0020 4190 ARG 55 HH21 -0.0040 0.0026 0.0007 4191 ARG 55 HH22 -0.0046 0.0028 0.0013 4192 GLN 56 N -0.0038 0.0025 0.0006 4193 GLN 56 CA -0.0043 0.0027 0.0010 4194 GLN 56 C -0.0046 0.0026 0.0015 4195 GLN 56 O -0.0046 0.0028 0.0013 4196 GLN 56 CB -0.0045 0.0033 0.0008 4197 GLN 56 CG -0.0049 0.0035 0.0012 4198 GLN 56 CD -0.0051 0.0040 0.0010 4199 GLN 56 OE1 -0.0048 0.0041 0.0005 4200 GLN 56 NE2 -0.0055 0.0044 0.0012 4201 GLN 56 H -0.0037 0.0027 0.0002 4202 GLN 56 HA -0.0042 0.0024 0.0012 4203 GLN 56 HB2 -0.0043 0.0033 0.0005 4204 GLN 56 HB3 -0.0046 0.0036 0.0007 4205 GLN 56 HG2 -0.0052 0.0036 0.0015 4206 GLN 56 HG3 -0.0049 0.0031 0.0015 4207 GLN 56 HE21 -0.0058 0.0043 0.0016 4208 GLN 56 HE22 -0.0056 0.0047 0.0011 4209 GLY 57 N -0.0049 0.0024 0.0020 4210 GLY 57 CA -0.0052 0.0023 0.0024 4211 GLY 57 C -0.0049 0.0018 0.0026 4212 GLY 57 O -0.0049 0.0018 0.0025 4213 GLY 57 H -0.0048 0.0023 0.0021 4214 GLY 57 HA2 -0.0055 0.0023 0.0028 4215 GLY 57 HA3 -0.0053 0.0027 0.0023 4216 ASP 58 N -0.0047 0.0013 0.0027 4217 ASP 58 CA -0.0045 0.0007 0.0029 4218 ASP 58 C -0.0046 0.0003 0.0033 4219 ASP 58 O -0.0046 0.0003 0.0034 4220 ASP 58 CB -0.0039 0.0005 0.0024 4221 ASP 58 CG -0.0037 0.0001 0.0024 4222 ASP 58 OD1 -0.0038 -0.0003 0.0028 4223 ASP 58 OD2 -0.0034 0.0002 0.0019 4224 ASP 58 H -0.0048 0.0013 0.0027 4225 ASP 58 HA -0.0046 0.0007 0.0030 4226 ASP 58 HB2 -0.0039 0.0008 0.0020 4227 ASP 58 HB3 -0.0038 0.0002 0.0024 4228 LEU 59 N -0.0046 -0.0002 0.0037 4229 LEU 59 CA -0.0047 -0.0006 0.0042 4230 LEU 59 C -0.0042 -0.0011 0.0040 4231 LEU 59 O -0.0039 -0.0014 0.0038 4232 LEU 59 CB -0.0049 -0.0008 0.0046 4233 LEU 59 CG -0.0049 -0.0013 0.0051 4234 LEU 59 CD1 -0.0053 -0.0012 0.0055 4235 LEU 59 CD2 -0.0050 -0.0016 0.0054 4236 LEU 59 H -0.0045 -0.0002 0.0036 4237 LEU 59 HA -0.0049 -0.0004 0.0043 4238 LEU 59 HB2 -0.0053 -0.0004 0.0048 4239 LEU 59 HB3 -0.0048 -0.0008 0.0045 4240 LEU 59 HG -0.0046 -0.0017 0.0049 4241 LEU 59 HD11 -0.0052 -0.0011 0.0052 4242 LEU 59 HD12 -0.0053 -0.0016 0.0058 4243 LEU 59 HD13 -0.0056 -0.0009 0.0056 4244 LEU 59 HD21 -0.0054 -0.0013 0.0056 4245 LEU 59 HD22 -0.0051 -0.0020 0.0058 4246 LEU 59 HD23 -0.0047 -0.0017 0.0052 4247 ILE 60 N -0.0042 -0.0013 0.0042 4248 ILE 60 CA -0.0038 -0.0018 0.0041 4249 ILE 60 C -0.0038 -0.0024 0.0045 4250 ILE 60 O -0.0042 -0.0024 0.0050 4251 ILE 60 CB -0.0037 -0.0018 0.0040 4252 ILE 60 CG1 -0.0036 -0.0013 0.0034 4253 ILE 60 CG2 -0.0033 -0.0024 0.0039 4254 ILE 60 CD1 -0.0041 -0.0007 0.0035 4255 ILE 60 H -0.0045 -0.0011 0.0043 4256 ILE 60 HA -0.0035 -0.0019 0.0037 4257 ILE 60 HB -0.0041 -0.0017 0.0043 4258 ILE 60 HG12 -0.0035 -0.0013 0.0033 4259 ILE 60 HG13 -0.0034 -0.0013 0.0031 4260 ILE 60 HG21 -0.0033 -0.0023 0.0039 4261 ILE 60 HG22 -0.0030 -0.0025 0.0036 4262 ILE 60 HG23 -0.0034 -0.0027 0.0043 4263 ILE 60 HD11 -0.0040 -0.0003 0.0031 4264 ILE 60 HD12 -0.0043 -0.0006 0.0038 4265 ILE 60 HD13 -0.0042 -0.0006 0.0035 4266 THR 61 N -0.0036 -0.0026 0.0040 4267 THR 61 CA -0.0038 -0.0031 0.0043 4268 THR 61 C -0.0037 -0.0035 0.0039 4269 THR 61 O -0.0038 -0.0038 0.0041 4270 THR 61 CB -0.0039 -0.0035 0.0045 4271 THR 61 OG1 -0.0037 -0.0037 0.0040 4272 THR 61 CG2 -0.0040 -0.0030 0.0048 4273 THR 61 H -0.0035 -0.0026 0.0037 4274 THR 61 HA -0.0039 -0.0030 0.0047 4275 THR 61 HB -0.0041 -0.0038 0.0047 4276 THR 61 HG1 -0.0037 -0.0041 0.0039 4277 THR 61 HG21 -0.0038 -0.0027 0.0045 4278 THR 61 HG22 -0.0041 -0.0028 0.0051 4279 THR 61 HG23 -0.0041 -0.0033 0.0049 4280 HIS 62 N -0.0034 -0.0036 0.0034 4281 HIS 62 CA -0.0033 -0.0039 0.0030 4282 HIS 62 C -0.0030 -0.0036 0.0024 4283 HIS 62 O -0.0029 -0.0032 0.0023 4284 HIS 62 CB -0.0033 -0.0045 0.0028 4285 HIS 62 CG -0.0036 -0.0049 0.0033 4286 HIS 62 ND1 -0.0037 -0.0049 0.0037 4287 HIS 62 CD2 -0.0037 -0.0054 0.0035 4288 HIS 62 CE1 -0.0040 -0.0053 0.0041 4289 HIS 62 NE2 -0.0040 -0.0056 0.0040 4290 HIS 62 H -0.0034 -0.0033 0.0033 4291 HIS 62 HA -0.0034 -0.0040 0.0031 4292 HIS 62 HB2 -0.0033 -0.0044 0.0027 4293 HIS 62 HB3 -0.0032 -0.0048 0.0025 4294 HIS 62 HD2 -0.0037 -0.0055 0.0033 4295 HIS 62 HE1 -0.0041 -0.0054 0.0044 4296 HIS 62 HE2 -0.0041 -0.0060 0.0041 4297 VAL 63 N -0.0029 -0.0038 0.0021 4298 VAL 63 CA -0.0026 -0.0036 0.0015 4299 VAL 63 C -0.0025 -0.0040 0.0011 4300 VAL 63 O -0.0026 -0.0043 0.0012 4301 VAL 63 CB -0.0026 -0.0030 0.0016 4302 VAL 63 CG1 -0.0027 -0.0033 0.0018 4303 VAL 63 CG2 -0.0023 -0.0028 0.0010 4304 VAL 63 H -0.0030 -0.0041 0.0022 4305 VAL 63 HA -0.0026 -0.0034 0.0014 4306 VAL 63 HB -0.0027 -0.0027 0.0019 4307 VAL 63 HG11 -0.0029 -0.0035 0.0022 4308 VAL 63 HG12 -0.0027 -0.0029 0.0018 4309 VAL 63 HG13 -0.0026 -0.0036 0.0015 4310 VAL 63 HG21 -0.0022 -0.0024 0.0010 4311 VAL 63 HG22 -0.0022 -0.0031 0.0007 4312 VAL 63 HG23 -0.0023 -0.0026 0.0010 4313 ASN 64 N -0.0024 -0.0042 0.0007 4314 ASN 64 CA -0.0022 -0.0046 0.0003 4315 ASN 64 C -0.0024 -0.0053 0.0005 4316 ASN 64 O -0.0023 -0.0056 0.0003 4317 ASN 64 CB -0.0020 -0.0045 -0.0001 4318 ASN 64 CG -0.0018 -0.0046 -0.0007 4319 ASN 64 OD1 -0.0017 -0.0046 -0.0009 4320 ASN 64 ND2 -0.0017 -0.0047 -0.0010 4321 ASN 64 H -0.0023 -0.0040 0.0007 4322 ASN 64 HA -0.0021 -0.0047 0.0000 4323 ASN 64 HB2 -0.0020 -0.0040 -0.0000 4324 ASN 64 HB3 -0.0021 -0.0047 0.0001 4325 ASN 64 HD21 -0.0017 -0.0047 -0.0008 4326 ASN 64 HD22 -0.0015 -0.0048 -0.0014 4327 GLY 65 N -0.0026 -0.0054 0.0010 4328 GLY 65 CA -0.0028 -0.0059 0.0012 4329 GLY 65 C -0.0029 -0.0060 0.0015 4330 GLY 65 O -0.0030 -0.0064 0.0015 4331 GLY 65 H -0.0026 -0.0051 0.0011 4332 GLY 65 HA2 -0.0029 -0.0060 0.0015 4333 GLY 65 HA3 -0.0027 -0.0063 0.0009 4334 GLU 66 N -0.0030 -0.0055 0.0018 4335 GLU 66 CA -0.0031 -0.0054 0.0022 4336 GLU 66 C -0.0033 -0.0050 0.0027 4337 GLU 66 O -0.0032 -0.0044 0.0026 4338 GLU 66 CB -0.0029 -0.0052 0.0018 4339 GLU 66 CG -0.0030 -0.0053 0.0020 4340 GLU 66 CD -0.0032 -0.0059 0.0021 4341 GLU 66 OE1 -0.0031 -0.0064 0.0018 4342 GLU 66 OE2 -0.0034 -0.0060 0.0026 4343 GLU 66 H -0.0030 -0.0051 0.0018 4344 GLU 66 HA -0.0033 -0.0058 0.0023 4345 GLU 66 HB2 -0.0028 -0.0054 0.0014 4346 GLU 66 HB3 -0.0029 -0.0047 0.0018 4347 GLU 66 HG2 -0.0029 -0.0052 0.0016 4348 GLU 66 HG3 -0.0032 -0.0050 0.0023 4349 PRO 67 N -0.0051 -0.0038 0.0023 4350 PRO 67 CA -0.0051 -0.0035 0.0028 4351 PRO 67 C -0.0048 -0.0031 0.0028 4352 PRO 67 O -0.0048 -0.0032 0.0025 4353 PRO 67 CB -0.0056 -0.0038 0.0031 4354 PRO 67 CG -0.0057 -0.0043 0.0027 4355 PRO 67 CD -0.0054 -0.0043 0.0022 4356 PRO 67 HA -0.0051 -0.0033 0.0030 4357 PRO 67 HB2 -0.0056 -0.0037 0.0033 4358 PRO 67 HB3 -0.0058 -0.0039 0.0034 4359 PRO 67 HG2 -0.0056 -0.0044 0.0025 4360 PRO 67 HG3 -0.0060 -0.0047 0.0029 4361 PRO 67 HD2 -0.0053 -0.0045 0.0019 4362 PRO 67 HD3 -0.0056 -0.0045 0.0023 4363 VAL 68 N -0.0047 -0.0026 0.0030 4364 VAL 68 CA -0.0044 -0.0022 0.0030 4365 VAL 68 C -0.0046 -0.0021 0.0035 4366 VAL 68 O -0.0044 -0.0018 0.0035 4367 VAL 68 CB -0.0041 -0.0016 0.0031 4368 VAL 68 CG1 -0.0039 -0.0017 0.0027 4369 VAL 68 CG2 -0.0043 -0.0015 0.0037 4370 VAL 68 H -0.0048 -0.0025 0.0033 4371 VAL 68 HA -0.0042 -0.0022 0.0027 4372 VAL 68 HB -0.0038 -0.0013 0.0031 4373 VAL 68 HG11 -0.0041 -0.0020 0.0027 4374 VAL 68 HG12 -0.0037 -0.0018 0.0023 4375 VAL 68 HG13 -0.0037 -0.0013 0.0028 4376 VAL 68 HG21 -0.0044 -0.0014 0.0040 4377 VAL 68 HG22 -0.0045 -0.0018 0.0038 4378 VAL 68 HG23 -0.0041 -0.0011 0.0038 4379 HIS 69 N -0.0050 -0.0024 0.0038 4380 HIS 69 CA -0.0052 -0.0024 0.0043 4381 HIS 69 C -0.0052 -0.0026 0.0041 4382 HIS 69 O -0.0054 -0.0030 0.0039 4383 HIS 69 CB -0.0056 -0.0028 0.0045 4384 HIS 69 CG -0.0057 -0.0025 0.0049 4385 HIS 69 ND1 -0.0060 -0.0027 0.0053 4386 HIS 69 CD2 -0.0054 -0.0022 0.0049 4387 HIS 69 CE1 -0.0060 -0.0024 0.0056 4388 HIS 69 NE2 -0.0056 -0.0021 0.0053 4389 HIS 69 H -0.0051 -0.0026 0.0038 4390 HIS 69 HA -0.0051 -0.0020 0.0046 4391 HIS 69 HB2 -0.0057 -0.0031 0.0042 4392 HIS 69 HB3 -0.0058 -0.0029 0.0048 4393 HIS 69 HD2 -0.0051 -0.0020 0.0045 4394 HIS 69 HE1 -0.0062 -0.0025 0.0059 4395 HIS 69 HE2 -0.0054 -0.0018 0.0054 4396 GLY 70 N -0.0050 -0.0022 0.0041 4397 GLY 70 CA -0.0050 -0.0023 0.0039 4398 GLY 70 C -0.0046 -0.0022 0.0034 4399 GLY 70 O -0.0045 -0.0022 0.0033 4400 GLY 70 H -0.0048 -0.0018 0.0042 4401 GLY 70 HA2 -0.0050 -0.0022 0.0042 4402 GLY 70 HA3 -0.0052 -0.0028 0.0038 4403 LEU 71 N -0.0043 -0.0020 0.0031 4404 LEU 71 CA -0.0039 -0.0019 0.0027 4405 LEU 71 C -0.0037 -0.0013 0.0028 4406 LEU 71 O -0.0037 -0.0010 0.0032 4407 LEU 71 CB -0.0038 -0.0019 0.0023 4408 LEU 71 CG -0.0040 -0.0024 0.0021 4409 LEU 71 CD1 -0.0037 -0.0023 0.0017 4410 LEU 71 CD2 -0.0040 -0.0027 0.0017 4411 LEU 71 H -0.0044 -0.0020 0.0033 4412 LEU 71 HA -0.0040 -0.0021 0.0024 4413 LEU 71 HB2 -0.0038 -0.0017 0.0026 4414 LEU 71 HB3 -0.0035 -0.0017 0.0020 4415 LEU 71 HG -0.0043 -0.0026 0.0024 4416 LEU 71 HD11 -0.0039 -0.0027 0.0014 4417 LEU 71 HD12 -0.0034 -0.0021 0.0014 4418 LEU 71 HD13 -0.0037 -0.0021 0.0019 4419 LEU 71 HD21 -0.0043 -0.0028 0.0020 4420 LEU 71 HD22 -0.0038 -0.0026 0.0015 4421 LEU 71 HD23 -0.0041 -0.0031 0.0015 4422 VAL 72 N -0.0034 -0.0012 0.0025 4423 VAL 72 CA -0.0031 -0.0007 0.0026 4424 VAL 72 C -0.0028 -0.0003 0.0025 4425 VAL 72 O -0.0027 -0.0005 0.0022 4426 VAL 72 CB -0.0029 -0.0007 0.0023 4427 VAL 72 CG1 -0.0025 -0.0006 0.0018 4428 VAL 72 CG2 -0.0029 -0.0003 0.0026 4429 VAL 72 H -0.0034 -0.0015 0.0022 4430 VAL 72 HA -0.0033 -0.0005 0.0030 4431 VAL 72 HB -0.0032 -0.0011 0.0022 4432 VAL 72 HG11 -0.0023 -0.0001 0.0018 4433 VAL 72 HG12 -0.0026 -0.0008 0.0016 4434 VAL 72 HG13 -0.0025 -0.0007 0.0015 4435 VAL 72 HG21 -0.0028 -0.0003 0.0024 4436 VAL 72 HG22 -0.0032 -0.0004 0.0030 4437 VAL 72 HG23 -0.0027 0.0001 0.0028 4438 HIS 73 N -0.0028 -0.0006 0.0031 4439 HIS 73 CA -0.0024 -0.0001 0.0030 4440 HIS 73 C -0.0021 -0.0003 0.0024 4441 HIS 73 O -0.0021 -0.0003 0.0022 4442 HIS 73 CB -0.0021 0.0004 0.0031 4443 HIS 73 CG -0.0018 0.0009 0.0030 4444 HIS 73 ND1 -0.0018 0.0012 0.0034 4445 HIS 73 CD2 -0.0013 0.0012 0.0026 4446 HIS 73 CE1 -0.0014 0.0016 0.0032 4447 HIS 73 NE2 -0.0011 0.0016 0.0027 4448 HIS 73 H -0.0029 -0.0005 0.0034 4449 HIS 73 HA -0.0026 -0.0001 0.0033 4450 HIS 73 HB2 -0.0023 0.0006 0.0036 4451 HIS 73 HB3 -0.0020 0.0004 0.0028 4452 HIS 73 HD1 -0.0021 0.0012 0.0038 4453 HIS 73 HD2 -0.0012 0.0010 0.0022 4454 HIS 73 HE1 -0.0013 0.0019 0.0034 4455 THR 74 N -0.0020 -0.0004 0.0020 4456 THR 74 CA -0.0017 -0.0006 0.0013 4457 THR 74 C -0.0019 -0.0012 0.0011 4458 THR 74 O -0.0017 -0.0013 0.0006 4459 THR 74 CB -0.0014 -0.0005 0.0010 4460 THR 74 OG1 -0.0017 -0.0010 0.0010 4461 THR 74 CG2 -0.0013 0.0001 0.0014 4462 THR 74 H -0.0021 -0.0004 0.0021 4463 THR 74 HA -0.0014 -0.0002 0.0013 4464 THR 74 HB -0.0011 -0.0005 0.0006 4465 THR 74 HG1 -0.0016 -0.0012 0.0006 4466 THR 74 HG21 -0.0010 0.0004 0.0013 4467 THR 74 HG22 -0.0012 0.0001 0.0013 4468 THR 74 HG23 -0.0015 0.0001 0.0019 4469 GLU 75 N -0.0023 -0.0015 0.0014 4470 GLU 75 CA -0.0026 -0.0021 0.0012 4471 GLU 75 C -0.0026 -0.0021 0.0012 4472 GLU 75 O -0.0025 -0.0024 0.0007 4473 GLU 75 CB -0.0031 -0.0025 0.0015 4474 GLU 75 CG -0.0031 -0.0028 0.0013 4475 GLU 75 CD -0.0036 -0.0032 0.0016 4476 GLU 75 OE1 -0.0038 -0.0031 0.0021 4477 GLU 75 OE2 -0.0038 -0.0038 0.0013 4478 GLU 75 H -0.0025 -0.0014 0.0018 4479 GLU 75 HA -0.0024 -0.0023 0.0007 4480 GLU 75 HB2 -0.0032 -0.0023 0.0020 4481 GLU 75 HB3 -0.0033 -0.0028 0.0015 4482 GLU 75 HG2 -0.0030 -0.0030 0.0008 4483 GLU 75 HG3 -0.0029 -0.0025 0.0014 4484 VAL 76 N -0.0026 -0.0017 0.0016 4485 VAL 76 CA -0.0026 -0.0017 0.0017 4486 VAL 76 C -0.0022 -0.0014 0.0012 4487 VAL 76 O -0.0021 -0.0016 0.0009 4488 VAL 76 CB -0.0028 -0.0013 0.0023 4489 VAL 76 CG1 -0.0033 -0.0017 0.0027 4490 VAL 76 CG2 -0.0025 -0.0007 0.0025 4491 VAL 76 H -0.0027 -0.0015 0.0020 4492 VAL 76 HA -0.0029 -0.0021 0.0016 4493 VAL 76 HB -0.0027 -0.0013 0.0023 4494 VAL 76 HG11 -0.0033 -0.0017 0.0028 4495 VAL 76 HG12 -0.0035 -0.0021 0.0026 4496 VAL 76 HG13 -0.0034 -0.0014 0.0032 4497 VAL 76 HG21 -0.0024 -0.0007 0.0023 4498 VAL 76 HG22 -0.0027 -0.0006 0.0030 4499 VAL 76 HG23 -0.0022 -0.0004 0.0024 4500 VAL 77 N -0.0018 -0.0010 0.0012 4501 VAL 77 CA -0.0014 -0.0007 0.0007 4502 VAL 77 C -0.0013 -0.0011 0.0001 4503 VAL 77 O -0.0011 -0.0011 -0.0003 4504 VAL 77 CB -0.0011 -0.0002 0.0008 4505 VAL 77 CG1 -0.0006 0.0001 0.0003 4506 VAL 77 CG2 -0.0012 0.0002 0.0014 4507 VAL 77 H -0.0019 -0.0008 0.0015 4508 VAL 77 HA -0.0013 -0.0005 0.0008 4509 VAL 77 HB -0.0011 -0.0004 0.0006 4510 VAL 77 HG11 -0.0004 0.0005 0.0003 4511 VAL 77 HG12 -0.0005 0.0003 0.0004 4512 VAL 77 HG13 -0.0005 -0.0002 -0.0001 4513 VAL 77 HG21 -0.0015 0.0000 0.0017 4514 VAL 77 HG22 -0.0012 0.0004 0.0015 4515 VAL 77 HG23 -0.0009 0.0006 0.0014 4516 GLU 78 N -0.0014 -0.0015 -0.0000 4517 GLU 78 CA -0.0014 -0.0019 -0.0006 4518 GLU 78 C -0.0016 -0.0024 -0.0007 4519 GLU 78 O -0.0014 -0.0025 -0.0012 4520 GLU 78 CB -0.0015 -0.0022 -0.0006 4521 GLU 78 CG -0.0012 -0.0018 -0.0008 4522 GLU 78 CD -0.0013 -0.0022 -0.0011 4523 GLU 78 OE1 -0.0011 -0.0025 -0.0016 4524 GLU 78 OE2 -0.0015 -0.0022 -0.0008 4525 GLU 78 H -0.0016 -0.0014 0.0003 4526 GLU 78 HA -0.0010 -0.0017 -0.0009 4527 GLU 78 HB2 -0.0019 -0.0023 -0.0002 4528 GLU 78 HB3 -0.0016 -0.0026 -0.0010 4529 GLU 78 HG2 -0.0009 -0.0016 -0.0011 4530 GLU 78 HG3 -0.0012 -0.0015 -0.0004 4531 LEU 79 N -0.0016 -0.0036 -0.0001 4532 LEU 79 CA -0.0017 -0.0040 -0.0001 4533 LEU 79 C -0.0014 -0.0038 -0.0005 4534 LEU 79 O -0.0012 -0.0042 -0.0009 4535 LEU 79 CB -0.0022 -0.0041 0.0005 4536 LEU 79 CG -0.0026 -0.0049 0.0006 4537 LEU 79 CD1 -0.0024 -0.0053 0.0001 4538 LEU 79 CD2 -0.0027 -0.0053 0.0005 4539 LEU 79 H -0.0018 -0.0034 0.0003 4540 LEU 79 HA -0.0017 -0.0046 -0.0004 4541 LEU 79 HB2 -0.0024 -0.0039 0.0009 4542 LEU 79 HB3 -0.0022 -0.0038 0.0006 4543 LEU 79 HG -0.0029 -0.0049 0.0010 4544 LEU 79 HD11 -0.0023 -0.0050 0.0001 4545 LEU 79 HD12 -0.0027 -0.0058 0.0002 4546 LEU 79 HD13 -0.0021 -0.0053 -0.0004 4547 LEU 79 HD21 -0.0024 -0.0053 0.0001 4548 LEU 79 HD22 -0.0030 -0.0058 0.0006 4549 LEU 79 HD23 -0.0028 -0.0050 0.0009 4550 ILE 80 N -0.0012 -0.0031 -0.0003 4551 ILE 80 CA -0.0008 -0.0027 -0.0006 4552 ILE 80 C -0.0004 -0.0027 -0.0013 4553 ILE 80 O -0.0001 -0.0029 -0.0017 4554 ILE 80 CB -0.0008 -0.0019 -0.0002 4555 ILE 80 CG1 -0.0012 -0.0019 0.0004 4556 ILE 80 CG2 -0.0003 -0.0015 -0.0006 4557 ILE 80 CD1 -0.0013 -0.0013 0.0010 4558 ILE 80 H -0.0013 -0.0028 0.0000 4559 ILE 80 HA -0.0010 -0.0030 -0.0006 4560 ILE 80 HB -0.0008 -0.0017 -0.0001 4561 ILE 80 HG12 -0.0012 -0.0019 0.0004 4562 ILE 80 HG13 -0.0015 -0.0024 0.0006 4563 ILE 80 HG21 -0.0003 -0.0018 -0.0008 4564 ILE 80 HG22 -0.0000 -0.0013 -0.0009 4565 ILE 80 HG23 -0.0004 -0.0010 -0.0002 4566 ILE 80 HD11 -0.0017 -0.0013 0.0014 4567 ILE 80 HD12 -0.0010 -0.0008 0.0008 4568 ILE 80 HD13 -0.0014 -0.0013 0.0010 4569 LEU 81 N -0.0002 -0.0025 -0.0014 4570 LEU 81 CA 0.0003 -0.0025 -0.0021 4571 LEU 81 C 0.0002 -0.0033 -0.0025 4572 LEU 81 O 0.0006 -0.0034 -0.0030 4573 LEU 81 CB 0.0004 -0.0022 -0.0020 4574 LEU 81 CG 0.0004 -0.0015 -0.0016 4575 LEU 81 CD1 0.0005 -0.0013 -0.0016 4576 LEU 81 CD2 0.0009 -0.0009 -0.0019 4577 LEU 81 H -0.0004 -0.0024 -0.0011 4578 LEU 81 HA 0.0006 -0.0022 -0.0022 4579 LEU 81 HB2 0.0001 -0.0026 -0.0019 4580 LEU 81 HB3 0.0007 -0.0022 -0.0025 4581 LEU 81 HG 0.0001 -0.0015 -0.0012 4582 LEU 81 HD11 0.0005 -0.0008 -0.0013 4583 LEU 81 HD12 0.0008 -0.0014 -0.0020 4584 LEU 81 HD13 0.0001 -0.0017 -0.0013 4585 LEU 81 HD21 0.0012 -0.0010 -0.0024 4586 LEU 81 HD22 0.0009 -0.0004 -0.0016 4587 LEU 81 HD23 0.0008 -0.0011 -0.0019 4588 LYS 82 N -0.0002 -0.0038 -0.0022 4589 LYS 82 CA -0.0003 -0.0046 -0.0025 4590 LYS 82 C -0.0002 -0.0048 -0.0027 4591 LYS 82 O -0.0000 -0.0053 -0.0032 4592 LYS 82 CB -0.0008 -0.0050 -0.0020 4593 LYS 82 CG -0.0009 -0.0057 -0.0024 4594 LYS 82 CD -0.0014 -0.0062 -0.0019 4595 LYS 82 CE -0.0017 -0.0060 -0.0014 4596 LYS 82 NZ -0.0022 -0.0066 -0.0010 4597 LYS 82 H -0.0004 -0.0037 -0.0017 4598 LYS 82 HA -0.0000 -0.0046 -0.0029 4599 LYS 82 HB2 -0.0009 -0.0047 -0.0018 4600 LYS 82 HB3 -0.0010 -0.0051 -0.0017 4601 LYS 82 HG2 -0.0006 -0.0059 -0.0028 4602 LYS 82 HG3 -0.0008 -0.0057 -0.0025 4603 LYS 82 HD2 -0.0015 -0.0063 -0.0018 4604 LYS 82 HD3 -0.0014 -0.0068 -0.0022 4605 LYS 82 HE2 -0.0016 -0.0060 -0.0015 4606 LYS 82 HE3 -0.0017 -0.0055 -0.0011 4607 LYS 82 HZ1 -0.0024 -0.0064 -0.0006 4608 LYS 82 HZ2 -0.0022 -0.0071 -0.0012 4609 LYS 82 HZ3 -0.0024 -0.0067 -0.0008 4610 SER 83 N -0.0004 -0.0046 -0.0023 4611 SER 83 CA -0.0004 -0.0048 -0.0025 4612 SER 83 C 0.0001 -0.0047 -0.0031 4613 SER 83 O 0.0002 -0.0051 -0.0035 4614 SER 83 CB -0.0006 -0.0044 -0.0020 4615 SER 83 OG -0.0006 -0.0046 -0.0021 4616 SER 83 H -0.0006 -0.0043 -0.0019 4617 SER 83 HA -0.0006 -0.0054 -0.0025 4618 SER 83 HB2 -0.0010 -0.0046 -0.0015 4619 SER 83 HB3 -0.0004 -0.0039 -0.0019 4620 SER 83 HG -0.0003 -0.0042 -0.0022 4621 GLY 84 N 0.0005 -0.0041 -0.0033 4622 GLY 84 CA 0.0010 -0.0040 -0.0039 4623 GLY 84 C 0.0013 -0.0032 -0.0038 4624 GLY 84 O 0.0013 -0.0027 -0.0035 4625 GLY 84 H 0.0004 -0.0038 -0.0030 4626 GLY 84 HA2 0.0012 -0.0041 -0.0042 4627 GLY 84 HA3 0.0010 -0.0043 -0.0041 4628 ASN 85 N 0.0017 -0.0034 -0.0038 4629 ASN 85 CA 0.0019 -0.0026 -0.0039 4630 ASN 85 C 0.0017 -0.0024 -0.0035 4631 ASN 85 O 0.0018 -0.0018 -0.0035 4632 ASN 85 CB 0.0024 -0.0025 -0.0046 4633 ASN 85 CG 0.0025 -0.0031 -0.0049 4634 ASN 85 OD1 0.0025 -0.0029 -0.0048 4635 ASN 85 ND2 0.0026 -0.0038 -0.0052 4636 ASN 85 H 0.0018 -0.0038 -0.0041 4637 ASN 85 HA 0.0019 -0.0022 -0.0038 4638 ASN 85 HB2 0.0026 -0.0019 -0.0047 4639 ASN 85 HB3 0.0026 -0.0026 -0.0049 4640 ASN 85 HD21 0.0026 -0.0038 -0.0053 4641 ASN 85 HD22 0.0026 -0.0041 -0.0054 4642 LYS 86 N 0.0013 -0.0028 -0.0030 4643 LYS 86 CA 0.0010 -0.0027 -0.0026 4644 LYS 86 C 0.0005 -0.0032 -0.0020 4645 LYS 86 O 0.0004 -0.0037 -0.0020 4646 LYS 86 CB 0.0011 -0.0029 -0.0029 4647 LYS 86 CG 0.0013 -0.0037 -0.0033 4648 LYS 86 CD 0.0013 -0.0040 -0.0034 4649 LYS 86 CE 0.0014 -0.0048 -0.0038 4650 LYS 86 NZ 0.0010 -0.0054 -0.0034 4651 LYS 86 H 0.0012 -0.0033 -0.0030 4652 LYS 86 HA 0.0010 -0.0021 -0.0024 4653 LYS 86 HB2 0.0009 -0.0029 -0.0025 4654 LYS 86 HB3 0.0014 -0.0025 -0.0032 4655 LYS 86 HG2 0.0016 -0.0037 -0.0037 4656 LYS 86 HG3 0.0010 -0.0042 -0.0030 4657 LYS 86 HD2 0.0010 -0.0039 -0.0030 4658 LYS 86 HD3 0.0016 -0.0035 -0.0037 4659 LYS 86 HE2 0.0014 -0.0049 -0.0039 4660 LYS 86 HE3 0.0017 -0.0048 -0.0043 4661 LYS 86 HZ1 0.0011 -0.0054 -0.0035 4662 LYS 86 HZ2 0.0010 -0.0059 -0.0036 4663 LYS 86 HZ3 0.0007 -0.0053 -0.0029 4664 VAL 87 N 0.0002 -0.0031 -0.0015 4665 VAL 87 CA -0.0003 -0.0035 -0.0009 4666 VAL 87 C -0.0006 -0.0034 -0.0005 4667 VAL 87 O -0.0005 -0.0028 -0.0004 4668 VAL 87 CB -0.0005 -0.0032 -0.0005 4669 VAL 87 CG1 -0.0006 -0.0024 -0.0002 4670 VAL 87 CG2 -0.0010 -0.0037 -0.0000 4671 VAL 87 H 0.0003 -0.0027 -0.0015 4672 VAL 87 HA -0.0003 -0.0041 -0.0011 4673 VAL 87 HB -0.0003 -0.0032 -0.0009 4674 VAL 87 HG11 -0.0008 -0.0023 0.0001 4675 VAL 87 HG12 -0.0002 -0.0020 -0.0006 4676 VAL 87 HG13 -0.0007 -0.0022 0.0000 4677 VAL 87 HG21 -0.0012 -0.0038 0.0003 4678 VAL 87 HG22 -0.0012 -0.0035 0.0003 4679 VAL 87 HG23 -0.0009 -0.0043 -0.0002 4680 ALA 88 N -0.0010 -0.0040 -0.0001 4681 ALA 88 CA -0.0013 -0.0040 0.0004 4682 ALA 88 C -0.0017 -0.0037 0.0011 4683 ALA 88 O -0.0020 -0.0041 0.0014 4684 ALA 88 CB -0.0014 -0.0048 0.0003 4685 ALA 88 H -0.0010 -0.0044 -0.0002 4686 ALA 88 HA -0.0011 -0.0036 0.0002 4687 ALA 88 HB1 -0.0011 -0.0050 -0.0001 4688 ALA 88 HB2 -0.0017 -0.0048 0.0007 4689 ALA 88 HB3 -0.0016 -0.0052 0.0004 4690 ILE 89 N -0.0017 -0.0030 0.0013 4691 ILE 89 CA -0.0021 -0.0026 0.0019 4692 ILE 89 C -0.0025 -0.0027 0.0024 4693 ILE 89 O -0.0024 -0.0024 0.0024 4694 ILE 89 CB -0.0019 -0.0018 0.0020 4695 ILE 89 CG1 -0.0024 -0.0014 0.0027 4696 ILE 89 CG2 -0.0016 -0.0013 0.0016 4697 ILE 89 CD1 -0.0022 -0.0006 0.0027 4698 ILE 89 H -0.0014 -0.0026 0.0010 4699 ILE 89 HA -0.0023 -0.0030 0.0021 4700 ILE 89 HB -0.0017 -0.0017 0.0017 4701 ILE 89 HG12 -0.0025 -0.0013 0.0029 4702 ILE 89 HG13 -0.0026 -0.0018 0.0029 4703 ILE 89 HG21 -0.0013 -0.0015 0.0011 4704 ILE 89 HG22 -0.0015 -0.0007 0.0017 4705 ILE 89 HG23 -0.0018 -0.0013 0.0019 4706 ILE 89 HD11 -0.0025 -0.0004 0.0032 4707 ILE 89 HD12 -0.0019 -0.0003 0.0024 4708 ILE 89 HD13 -0.0022 -0.0008 0.0026 4709 SER 90 N -0.0029 -0.0032 0.0029 4710 SER 90 CA -0.0032 -0.0034 0.0034 4711 SER 90 C -0.0035 -0.0028 0.0040 4712 SER 90 O -0.0038 -0.0028 0.0044 4713 SER 90 CB -0.0035 -0.0042 0.0036 4714 SER 90 OG -0.0037 -0.0045 0.0037 4715 SER 90 H -0.0029 -0.0035 0.0029 4716 SER 90 HA -0.0031 -0.0033 0.0031 4717 SER 90 HB2 -0.0033 -0.0046 0.0031 4718 SER 90 HB3 -0.0038 -0.0042 0.0040 4719 SER 90 HG -0.0035 -0.0043 0.0034 4720 THR 91 N -0.0027 -0.0002 0.0053 4721 THR 91 CA -0.0029 -0.0014 0.0035 4722 THR 91 C -0.0013 -0.0009 0.0018 4723 THR 91 O -0.0003 0.0001 0.0020 4724 THR 91 CB -0.0044 -0.0029 0.0031 4725 THR 91 OG1 -0.0043 -0.0028 0.0031 4726 THR 91 CG2 -0.0060 -0.0036 0.0047 4727 THR 91 H -0.0028 -0.0002 0.0056 4728 THR 91 HA -0.0031 -0.0015 0.0036 4729 THR 91 HB -0.0045 -0.0037 0.0017 4730 THR 91 HG1 -0.0041 -0.0033 0.0018 4731 THR 91 HG21 -0.0061 -0.0029 0.0061 4732 THR 91 HG22 -0.0061 -0.0036 0.0047 4733 THR 91 HG23 -0.0071 -0.0047 0.0043 4734 THR 92 N -0.0011 -0.0016 0.0001 4735 THR 92 CA 0.0004 -0.0011 -0.0016 4736 THR 92 C 0.0001 -0.0022 -0.0031 4737 THR 92 O -0.0007 -0.0035 -0.0042 4738 THR 92 CB 0.0011 -0.0010 -0.0026 4739 THR 92 OG1 0.0023 -0.0009 -0.0044 4740 THR 92 CG2 -0.0003 -0.0024 -0.0029 4741 THR 92 H -0.0020 -0.0024 -0.0000 4742 THR 92 HA 0.0013 0.0000 -0.0010 4743 THR 92 HB 0.0016 0.0000 -0.0016 4744 THR 92 HG1 0.0018 -0.0018 -0.0054 4745 THR 92 HG21 -0.0009 -0.0034 -0.0038 4746 THR 92 HG22 -0.0012 -0.0025 -0.0015 4747 THR 92 HG23 0.0002 -0.0022 -0.0035 4748 PRO 93 N 0.0007 -0.0017 -0.0032 4749 PRO 93 CA 0.0005 -0.0026 -0.0046 4750 PRO 93 C 0.0011 -0.0032 -0.0068 4751 PRO 93 O 0.0018 -0.0027 -0.0072 4752 PRO 93 CB 0.0016 -0.0015 -0.0044 4753 PRO 93 CG 0.0016 -0.0004 -0.0023 4754 PRO 93 CD 0.0015 -0.0002 -0.0018 4755 PRO 93 HA -0.0008 -0.0036 -0.0043 4756 PRO 93 HB2 0.0028 -0.0009 -0.0054 4757 PRO 93 HB3 0.0010 -0.0021 -0.0046 4758 PRO 93 HG2 0.0028 0.0007 -0.0022 4759 PRO 93 HG3 0.0006 -0.0008 -0.0013 4760 PRO 93 HD2 0.0028 0.0007 -0.0021 4761 PRO 93 HD3 0.0008 -0.0000 -0.0003 4762 LEU 94 N 0.0009 -0.0041 -0.0081 4763 LEU 94 CA 0.0014 -0.0047 -0.0102 4764 LEU 94 C 0.0033 -0.0035 -0.0111 4765 LEU 94 O 0.0042 -0.0021 -0.0101 4766 LEU 94 CB 0.0008 -0.0058 -0.0114 4767 LEU 94 CG -0.0004 -0.0062 -0.0101 4768 LEU 94 CD1 0.0006 -0.0051 -0.0096 4769 LEU 94 CD2 -0.0016 -0.0079 -0.0111 4770 LEU 94 H 0.0003 -0.0043 -0.0077 4771 LEU 94 HA 0.0008 -0.0053 -0.0104 4772 LEU 94 HB2 0.0019 -0.0053 -0.0123 4773 LEU 94 HB3 0.0002 -0.0069 -0.0123 4774 LEU 94 HG -0.0011 -0.0062 -0.0087 4775 LEU 94 HD11 0.0009 -0.0041 -0.0083 4776 LEU 94 HD12 -0.0002 -0.0056 -0.0094 4777 LEU 94 HD13 0.0017 -0.0048 -0.0109 4778 LEU 94 HD21 -0.0024 -0.0087 -0.0113 4779 LEU 94 HD22 -0.0009 -0.0080 -0.0126 4780 LEU 94 HD23 -0.0024 -0.0081 -0.0103 4781 GLU 95 N 0.0038 -0.0039 -0.0128 4782 GLU 95 CA 0.0056 -0.0028 -0.0138 4783 GLU 95 C 0.0059 -0.0037 -0.0160 4784 GLU 95 O 0.0047 -0.0051 -0.0167 4785 GLU 95 CB 0.0062 -0.0018 -0.0129 4786 GLU 95 CG 0.0056 -0.0026 -0.0133 4787 GLU 95 CD 0.0038 -0.0034 -0.0120 4788 GLU 95 OE1 0.0036 -0.0027 -0.0103 4789 GLU 95 OE2 0.0026 -0.0048 -0.0126 4790 GLU 95 H 0.0030 -0.0050 -0.0135 4791 GLU 95 HA 0.0062 -0.0021 -0.0136 4792 GLU 95 HB2 0.0076 -0.0009 -0.0135 4793 GLU 95 HB3 0.0059 -0.0012 -0.0113 4794 GLU 95 HG2 0.0056 -0.0034 -0.0148 4795 GLU 95 HG3 0.0064 -0.0017 -0.0131 4796 ASN 96 N 0.0075 -0.0029 -0.0172 4797 ASN 96 CA 0.0079 -0.0036 -0.0193 4798 ASN 96 C 0.0077 -0.0040 -0.0197 4799 ASN 96 O 0.0082 -0.0030 -0.0188 4800 ASN 96 CB 0.0097 -0.0025 -0.0203 4801 ASN 96 CG 0.0110 -0.0009 -0.0194 4802 ASN 96 OD1 0.0117 -0.0006 -0.0200 4803 ASN 96 ND2 0.0113 0.0001 -0.0180 4804 ASN 96 OXT 0.0070 -0.0052 -0.0210 4805 ASN 96 H 0.0083 -0.0018 -0.0165 4806 ASN 96 HA 0.0071 -0.0046 -0.0198 4807 ASN 96 HB2 0.0101 -0.0030 -0.0219 4808 ASN 96 HB3 0.0097 -0.0025 -0.0203 4809 ASN 96 HD21 0.0107 -0.0003 -0.0177 4810 ASN 96 HD22 0.0121 0.0011 -0.0174 4811 SER 101 N 0.0071 -0.0026 0.0069 4812 SER 101 CA 0.0056 -0.0017 0.0061 4813 SER 101 C 0.0057 -0.0017 0.0060 4814 SER 101 O 0.0057 -0.0007 0.0048 4815 SER 101 CB 0.0036 -0.0021 0.0069 4816 SER 101 OG 0.0036 -0.0025 0.0074 4817 SER 101 H1 0.0084 -0.0025 0.0067 4818 SER 101 H2 0.0073 -0.0023 0.0066 4819 SER 101 H3 0.0067 -0.0034 0.0081 4820 SER 101 HA 0.0057 -0.0008 0.0049 4821 SER 101 HB2 0.0032 -0.0028 0.0078 4822 SER 101 HB3 0.0025 -0.0013 0.0060 4823 SER 101 HG 0.0028 -0.0031 0.0084 4824 TRP 102 N 0.0059 -0.0027 0.0073 4825 TRP 102 CA 0.0061 -0.0028 0.0074 4826 TRP 102 C 0.0081 -0.0035 0.0080 4827 TRP 102 O 0.0083 -0.0046 0.0094 4828 TRP 102 CB 0.0044 -0.0034 0.0084 4829 TRP 102 CG 0.0045 -0.0034 0.0084 4830 TRP 102 CD1 0.0054 -0.0027 0.0074 4831 TRP 102 CD2 0.0035 -0.0042 0.0096 4832 TRP 102 NE1 0.0052 -0.0030 0.0078 4833 TRP 102 CE2 0.0040 -0.0039 0.0091 4834 TRP 102 CE3 0.0023 -0.0051 0.0109 4835 TRP 102 CZ2 0.0033 -0.0045 0.0100 4836 TRP 102 CZ3 0.0016 -0.0056 0.0117 4837 TRP 102 CH2 0.0021 -0.0053 0.0113 4838 TRP 102 H 0.0059 -0.0035 0.0083 4839 TRP 102 HA 0.0061 -0.0019 0.0062 4840 TRP 102 HB2 0.0031 -0.0029 0.0080 4841 TRP 102 HB3 0.0045 -0.0043 0.0096 4842 TRP 102 HD1 0.0063 -0.0020 0.0064 4843 TRP 102 HE1 0.0057 -0.0026 0.0072 4844 TRP 102 HE3 0.0019 -0.0053 0.0113 4845 TRP 102 HZ2 0.0036 -0.0042 0.0096 4846 TRP 102 HZ3 0.0007 -0.0063 0.0128 4847 TRP 102 HH2 0.0015 -0.0058 0.0120 4848 GLU 103 N 0.0095 -0.0028 0.0069 4849 GLU 103 CA 0.0115 -0.0034 0.0073 4850 GLU 103 C 0.0118 -0.0033 0.0072 4851 GLU 103 O 0.0127 -0.0041 0.0081 4852 GLU 103 CB 0.0130 -0.0028 0.0063 4853 GLU 103 CG 0.0131 -0.0030 0.0065 4854 GLU 103 CD 0.0113 -0.0024 0.0061 4855 GLU 103 OE1 0.0106 -0.0014 0.0049 4856 GLU 103 OE2 0.0105 -0.0030 0.0070 4857 GLU 103 H 0.0093 -0.0020 0.0058 4858 GLU 103 HA 0.0116 -0.0043 0.0085 4859 GLU 103 HB2 0.0127 -0.0018 0.0051 4860 GLU 103 HB3 0.0144 -0.0031 0.0064 4861 GLU 103 HG2 0.0143 -0.0026 0.0059 4862 GLU 103 HG3 0.0132 -0.0040 0.0078 4863 SER 104 N 0.0109 -0.0023 0.0060 4864 SER 104 CA 0.0111 -0.0021 0.0057 4865 SER 104 C 0.0094 -0.0013 0.0049 4866 SER 104 O 0.0080 -0.0010 0.0048 4867 SER 104 CB 0.0130 -0.0016 0.0048 4868 SER 104 OG 0.0146 -0.0024 0.0055 4869 SER 104 H 0.0102 -0.0017 0.0053 4870 SER 104 HA 0.0111 -0.0030 0.0068 4871 SER 104 HB2 0.0130 -0.0007 0.0037 4872 SER 104 HB3 0.0132 -0.0015 0.0046 4873 SER 104 HG 0.0142 -0.0031 0.0065 4874 HIS 105 N 0.0095 -0.0009 0.0044 4875 HIS 105 CA 0.0079 -0.0000 0.0036 4876 HIS 105 C 0.0079 0.0012 0.0020 4877 HIS 105 O 0.0083 0.0021 0.0008 4878 HIS 105 CB 0.0082 0.0001 0.0034 4879 HIS 105 CG 0.0086 -0.0011 0.0049 4880 HIS 105 ND1 0.0103 -0.0019 0.0055 4881 HIS 105 CD2 0.0075 -0.0016 0.0057 4882 HIS 105 CE1 0.0102 -0.0028 0.0068 4883 HIS 105 NE2 0.0085 -0.0027 0.0069 4884 HIS 105 H 0.0106 -0.0011 0.0045 4885 HIS 105 HA 0.0066 -0.0004 0.0042 4886 HIS 105 HB2 0.0095 0.0006 0.0026 4887 HIS 105 HB3 0.0070 0.0006 0.0030 4888 HIS 105 HD2 0.0061 -0.0013 0.0055 4889 HIS 105 HE1 0.0113 -0.0036 0.0076 4890 HIS 105 HE2 0.0082 -0.0032 0.0076 4891 LYS 106 N 0.0073 0.0013 0.0020 4892 LYS 106 CA 0.0071 0.0024 0.0005 4893 LYS 106 C 0.0052 0.0032 -0.0002 4894 LYS 106 O 0.0040 0.0035 -0.0003 4895 LYS 106 CB 0.0072 0.0022 0.0008 4896 LYS 106 CG 0.0091 0.0015 0.0014 4897 LYS 106 CD 0.0090 0.0012 0.0018 4898 LYS 106 CE 0.0110 0.0012 0.0015 4899 LYS 106 NZ 0.0109 0.0009 0.0019 4900 LYS 106 H 0.0069 0.0006 0.0029 4901 LYS 106 HA 0.0083 0.0029 -0.0003 4902 LYS 106 HB2 0.0060 0.0017 0.0017 4903 LYS 106 HB3 0.0070 0.0030 -0.0002 4904 LYS 106 HG2 0.0102 0.0021 0.0005 4905 LYS 106 HG3 0.0094 0.0007 0.0024 4906 LYS 106 HD2 0.0086 0.0003 0.0030 4907 LYS 106 HD3 0.0080 0.0019 0.0011 4908 LYS 106 HE2 0.0114 0.0021 0.0003 4909 LYS 106 HE3 0.0120 0.0005 0.0022 4910 LYS 106 HZ1 0.0107 0.0000 0.0030 4911 LYS 106 HZ2 0.0123 0.0011 0.0015 4912 LYS 106 HZ3 0.0098 0.0015 0.0013 4913 SER 107 N 0.0010 0.0022 0.0033 4914 SER 107 CA 0.0008 0.0022 0.0030 4915 SER 107 C 0.0009 0.0024 0.0028 4916 SER 107 O 0.0009 0.0024 0.0026 4917 SER 107 CB 0.0007 0.0020 0.0030 4918 SER 107 OG 0.0008 0.0020 0.0031 4919 SER 107 H 0.0011 0.0023 0.0033 4920 SER 107 HA 0.0008 0.0021 0.0030 4921 SER 107 HB2 0.0006 0.0020 0.0028 4922 SER 107 HB3 0.0006 0.0018 0.0031 4923 SER 107 HG 0.0007 0.0019 0.0032 4924 GLY 108 N 0.0010 0.0024 0.0027 4925 GLY 108 CA 0.0010 0.0026 0.0025 4926 GLY 108 C 0.0009 0.0026 0.0023 4927 GLY 108 O 0.0007 0.0025 0.0022 4928 GLY 108 H 0.0010 0.0024 0.0029 4929 GLY 108 HA2 0.0012 0.0028 0.0026 4930 GLY 108 HA3 0.0010 0.0027 0.0024 4931 GLY 109 N 0.0010 0.0027 0.0023 4932 GLY 109 CA 0.0009 0.0026 0.0021 4933 GLY 109 C 0.0008 0.0026 0.0022 4934 GLY 109 O 0.0008 0.0024 0.0024 4935 GLY 109 H 0.0011 0.0028 0.0024 4936 GLY 109 HA2 0.0009 0.0028 0.0020 4937 GLY 109 HA3 0.0007 0.0025 0.0020 4938 GLU 110 N 0.0008 0.0026 0.0021 4939 GLU 110 CA 0.0008 0.0026 0.0022 4940 GLU 110 C 0.0007 0.0025 0.0020 4941 GLU 110 O 0.0007 0.0025 0.0020 4942 GLU 110 CB 0.0010 0.0027 0.0023 4943 GLU 110 CG 0.0012 0.0028 0.0026 4944 GLU 110 CD 0.0013 0.0029 0.0027 4945 GLU 110 OE1 0.0015 0.0031 0.0026 4946 GLU 110 OE2 0.0013 0.0028 0.0028 4947 GLU 110 H 0.0009 0.0028 0.0020 4948 GLU 110 HA 0.0008 0.0024 0.0024 4949 GLU 110 HB2 0.0011 0.0029 0.0022 4950 GLU 110 HB3 0.0010 0.0027 0.0023 4951 GLU 110 HG2 0.0011 0.0026 0.0027 4952 GLU 110 HG3 0.0012 0.0028 0.0025 4953 THR 111 N 0.0006 0.0025 0.0018 4954 THR 111 CA 0.0004 0.0024 0.0016 4955 THR 111 C 0.0003 0.0022 0.0017 4956 THR 111 O 0.0002 0.0021 0.0019 4957 THR 111 CB 0.0003 0.0024 0.0014 4958 THR 111 OG1 0.0004 0.0026 0.0014 4959 THR 111 CG2 0.0002 0.0024 0.0011 4960 THR 111 H 0.0006 0.0025 0.0018 4961 THR 111 HA 0.0005 0.0026 0.0015 4962 THR 111 HB 0.0002 0.0022 0.0014 4963 THR 111 HG1 0.0004 0.0025 0.0015 4964 THR 111 HG21 0.0001 0.0023 0.0011 4965 THR 111 HG22 0.0001 0.0024 0.0010 4966 THR 111 HG23 0.0003 0.0026 0.0010 4967 ARG 112 N 0.0002 0.0022 0.0015 4968 ARG 112 CA 0.0000 0.0020 0.0016 4969 ARG 112 C -0.0001 0.0019 0.0013 4970 ARG 112 O -0.0001 0.0020 0.0011 4971 ARG 112 CB 0.0001 0.0020 0.0017 4972 ARG 112 CG 0.0003 0.0022 0.0016 4973 ARG 112 CD 0.0002 0.0022 0.0015 4974 ARG 112 NE 0.0002 0.0021 0.0017 4975 ARG 112 CZ 0.0001 0.0020 0.0017 4976 ARG 112 NH1 -0.0001 0.0019 0.0015 4977 ARG 112 NH2 0.0001 0.0020 0.0018 4978 ARG 112 H 0.0002 0.0023 0.0014 4979 ARG 112 HA -0.0000 0.0019 0.0017 4980 ARG 112 HB2 0.0000 0.0019 0.0017 4981 ARG 112 HB3 0.0002 0.0020 0.0019 4982 ARG 112 HG2 0.0004 0.0023 0.0017 4983 ARG 112 HG3 0.0003 0.0023 0.0014 4984 ARG 112 HD2 0.0002 0.0023 0.0013 4985 ARG 112 HD3 0.0000 0.0021 0.0014 4986 ARG 112 HE 0.0003 0.0022 0.0018 4987 ARG 112 HH11 -0.0002 0.0019 0.0014 4988 ARG 112 HH12 -0.0002 0.0018 0.0015 4989 ARG 112 HH21 0.0003 0.0021 0.0020 4990 ARG 112 HH22 0.0000 0.0019 0.0018 4991 LEU 113 N -0.0003 0.0012 0.0010 4992 LEU 113 CA -0.0002 0.0008 0.0005 4993 LEU 113 C 0.0002 0.0013 0.0003 4994 LEU 113 O 0.0005 0.0018 0.0003 4995 LEU 113 CB -0.0005 0.0004 0.0006 4996 LEU 113 CG -0.0009 -0.0002 0.0007 4997 LEU 113 CD1 -0.0007 -0.0005 0.0002 4998 LEU 113 CD2 -0.0012 -0.0001 0.0013 4999 LEU 113 OXT 0.0003 0.0011 0.0001 5000 LEU 113 H -0.0005 0.0013 0.0013 5001 LEU 113 HA -0.0001 0.0006 0.0002 5002 LEU 113 HB2 -0.0007 0.0006 0.0010 5003 LEU 113 HB3 -0.0004 0.0002 0.0003 5004 LEU 113 HG -0.0011 -0.0006 0.0007 5005 LEU 113 HD11 -0.0005 -0.0006 -0.0002 5006 LEU 113 HD12 -0.0010 -0.0009 0.0003 5007 LEU 113 HD13 -0.0005 -0.0001 0.0002 5008 LEU 113 HD21 -0.0011 0.0003 0.0013 5009 LEU 113 HD22 -0.0015 -0.0005 0.0013 5010 LEU 113 HD23 -0.0014 0.0001 0.0016 5011 GLY 1 N 0.0066 0.0002 -0.0212 5012 GLY 1 CA 0.0051 -0.0003 -0.0190 5013 GLY 1 C 0.0072 0.0007 -0.0181 5014 GLY 1 O 0.0095 0.0017 -0.0197 5015 GLY 1 H1 0.0075 0.0005 -0.0232 5016 GLY 1 H2 0.0050 -0.0005 -0.0219 5017 GLY 1 H3 0.0082 0.0011 -0.0200 5018 GLY 1 HA2 0.0033 -0.0012 -0.0203 5019 GLY 1 HA3 0.0043 -0.0006 -0.0169 5020 GLY 2 N 0.0065 0.0005 -0.0155 5021 GLY 2 CA 0.0083 0.0014 -0.0143 5022 GLY 2 C 0.0094 0.0021 -0.0110 5023 GLY 2 O 0.0094 0.0022 -0.0099 5024 GLY 2 H 0.0047 -0.0002 -0.0143 5025 GLY 2 HA2 0.0102 0.0022 -0.0160 5026 GLY 2 HA3 0.0071 0.0009 -0.0143 5027 SER 3 N 0.0101 0.0026 -0.0093 5028 SER 3 CA 0.0112 0.0033 -0.0061 5029 SER 3 C 0.0108 0.0032 -0.0044 5030 SER 3 O 0.0104 0.0029 -0.0059 5031 SER 3 CB 0.0144 0.0048 -0.0061 5032 SER 3 OG 0.0154 0.0054 -0.0030 5033 SER 3 H 0.0100 0.0025 -0.0103 5034 SER 3 HA 0.0099 0.0028 -0.0048 5035 SER 3 HB2 0.0148 0.0048 -0.0078 5036 SER 3 HB3 0.0158 0.0054 -0.0069 5037 SER 3 HG 0.0146 0.0051 -0.0026 5038 MET 4 N 0.0109 0.0035 -0.0012 5039 MET 4 CA 0.0106 0.0034 0.0008 5040 MET 4 C 0.0077 0.0021 0.0001 5041 MET 4 O 0.0076 0.0019 -0.0016 5042 MET 4 CB 0.0131 0.0046 0.0002 5043 MET 4 CG 0.0157 0.0059 0.0024 5044 MET 4 SD 0.0188 0.0073 0.0014 5045 MET 4 CE 0.0171 0.0065 0.0015 5046 MET 4 H 0.0113 0.0037 -0.0001 5047 MET 4 HA 0.0106 0.0036 0.0033 5048 MET 4 HB2 0.0139 0.0048 -0.0023 5049 MET 4 HB3 0.0124 0.0042 0.0006 5050 MET 4 HG2 0.0150 0.0057 0.0048 5051 MET 4 HG3 0.0164 0.0062 0.0022 5052 MET 4 HE1 0.0154 0.0056 -0.0002 5053 MET 4 HE2 0.0187 0.0072 0.0010 5054 MET 4 HE3 0.0161 0.0062 0.0039 5055 ARG 5 N 0.0053 0.0011 0.0016 5056 ARG 5 CA 0.0024 -0.0003 0.0012 5057 ARG 5 C 0.0022 -0.0003 0.0029 5058 ARG 5 O 0.0033 0.0003 0.0056 5059 ARG 5 CB 0.0000 -0.0014 0.0024 5060 ARG 5 CG -0.0003 -0.0017 0.0003 5061 ARG 5 CD 0.0019 -0.0006 0.0011 5062 ARG 5 NE 0.0022 -0.0006 -0.0015 5063 ARG 5 CZ 0.0044 0.0004 -0.0018 5064 ARG 5 NH1 0.0066 0.0015 0.0004 5065 ARG 5 NH2 0.0046 0.0003 -0.0041 5066 ARG 5 H 0.0056 0.0012 0.0030 5067 ARG 5 HA 0.0022 -0.0006 -0.0014 5068 ARG 5 HB2 0.0006 -0.0010 0.0048 5069 ARG 5 HB3 -0.0020 -0.0023 0.0025 5070 ARG 5 HG2 -0.0025 -0.0026 0.0006 5071 ARG 5 HG3 -0.0000 -0.0017 -0.0022 5072 ARG 5 HD2 0.0040 0.0004 0.0014 5073 ARG 5 HD3 0.0012 -0.0008 0.0033 5074 ARG 5 HE 0.0006 -0.0014 -0.0030 5075 ARG 5 HH11 0.0065 0.0016 0.0022 5076 ARG 5 HH12 0.0083 0.0023 0.0001 5077 ARG 5 HH21 0.0030 -0.0005 -0.0058 5078 ARG 5 HH22 0.0063 0.0011 -0.0044 5079 PRO 6 N 0.0010 -0.0010 0.0015 5080 PRO 6 CA 0.0007 -0.0010 0.0029 5081 PRO 6 C -0.0020 -0.0021 0.0051 5082 PRO 6 O -0.0045 -0.0033 0.0040 5083 PRO 6 CB 0.0005 -0.0013 -0.0001 5084 PRO 6 CG 0.0004 -0.0015 -0.0029 5085 PRO 6 CD -0.0004 -0.0018 -0.0017 5086 PRO 6 HA 0.0026 -0.0000 0.0042 5087 PRO 6 HB2 -0.0015 -0.0022 0.0002 5088 PRO 6 HB3 0.0024 -0.0004 -0.0002 5089 PRO 6 HG2 -0.0012 -0.0023 -0.0046 5090 PRO 6 HG3 0.0026 -0.0006 -0.0041 5091 PRO 6 HD2 -0.0028 -0.0029 -0.0014 5092 PRO 6 HD3 0.0005 -0.0015 -0.0032 5093 PRO 7 N -0.0026 -0.0037 0.0021 5094 PRO 7 CA -0.0022 -0.0035 0.0017 5095 PRO 7 C -0.0017 -0.0030 0.0014 5096 PRO 7 O -0.0015 -0.0032 0.0010 5097 PRO 7 CB -0.0022 -0.0042 0.0014 5098 PRO 7 CG -0.0026 -0.0047 0.0016 5099 PRO 7 CD -0.0028 -0.0044 0.0019 5100 PRO 7 HA -0.0023 -0.0033 0.0020 5101 PRO 7 HB2 -0.0019 -0.0042 0.0009 5102 PRO 7 HB3 -0.0022 -0.0042 0.0013 5103 PRO 7 HG2 -0.0025 -0.0052 0.0013 5104 PRO 7 HG3 -0.0029 -0.0049 0.0019 5105 PRO 7 HD2 -0.0026 -0.0045 0.0016 5106 PRO 7 HD3 -0.0031 -0.0046 0.0023 5107 ILE 8 N -0.0016 -0.0024 0.0015 5108 ILE 8 CA -0.0011 -0.0019 0.0011 5109 ILE 8 C -0.0007 -0.0021 0.0006 5110 ILE 8 O -0.0007 -0.0020 0.0006 5111 ILE 8 CB -0.0011 -0.0012 0.0015 5112 ILE 8 CG1 -0.0016 -0.0012 0.0021 5113 ILE 8 CG2 -0.0007 -0.0007 0.0013 5114 ILE 8 CD1 -0.0017 -0.0005 0.0025 5115 ILE 8 H -0.0018 -0.0023 0.0017 5116 ILE 8 HA -0.0011 -0.0020 0.0010 5117 ILE 8 HB -0.0011 -0.0011 0.0015 5118 ILE 8 HG12 -0.0017 -0.0012 0.0021 5119 ILE 8 HG13 -0.0019 -0.0016 0.0023 5120 ILE 8 HG21 -0.0007 -0.0002 0.0015 5121 ILE 8 HG22 -0.0008 -0.0008 0.0013 5122 ILE 8 HG23 -0.0004 -0.0007 0.0008 5123 ILE 8 HD11 -0.0016 -0.0004 0.0025 5124 ILE 8 HD12 -0.0021 -0.0006 0.0030 5125 ILE 8 HD13 -0.0015 -0.0001 0.0025 5126 ILE 9 N -0.0004 -0.0023 0.0001 5127 ILE 9 CA -0.0000 -0.0025 -0.0004 5128 ILE 9 C 0.0004 -0.0018 -0.0006 5129 ILE 9 O 0.0007 -0.0015 -0.0008 5130 ILE 9 CB 0.0002 -0.0029 -0.0009 5131 ILE 9 CG1 -0.0003 -0.0034 -0.0006 5132 ILE 9 CG2 0.0004 -0.0033 -0.0014 5133 ILE 9 CD1 -0.0006 -0.0040 -0.0005 5134 ILE 9 H -0.0005 -0.0024 0.0001 5135 ILE 9 HA -0.0002 -0.0027 -0.0004 5136 ILE 9 HB 0.0004 -0.0026 -0.0011 5137 ILE 9 HG12 -0.0005 -0.0032 -0.0003 5138 ILE 9 HG13 -0.0001 -0.0037 -0.0009 5139 ILE 9 HG21 0.0007 -0.0029 -0.0016 5140 ILE 9 HG22 0.0005 -0.0037 -0.0017 5141 ILE 9 HG23 0.0002 -0.0036 -0.0012 5142 ILE 9 HD11 -0.0009 -0.0044 -0.0003 5143 ILE 9 HD12 -0.0008 -0.0038 -0.0002 5144 ILE 9 HD13 -0.0004 -0.0043 -0.0009 5145 ILE 10 N 0.0004 -0.0016 -0.0006 5146 ILE 10 CA 0.0008 -0.0010 -0.0008 5147 ILE 10 C 0.0013 -0.0013 -0.0014 5148 ILE 10 O 0.0012 -0.0019 -0.0016 5149 ILE 10 CB 0.0007 -0.0007 -0.0005 5150 ILE 10 CG1 0.0003 -0.0005 0.0001 5151 ILE 10 CG2 0.0012 -0.0001 -0.0007 5152 ILE 10 CD1 -0.0000 -0.0007 0.0004 5153 ILE 10 H 0.0002 -0.0019 -0.0004 5154 ILE 10 HA 0.0009 -0.0006 -0.0007 5155 ILE 10 HB 0.0007 -0.0011 -0.0007 5156 ILE 10 HG12 0.0004 0.0000 0.0003 5157 ILE 10 HG13 0.0001 -0.0008 0.0003 5158 ILE 10 HG21 0.0010 0.0002 -0.0004 5159 ILE 10 HG22 0.0013 0.0002 -0.0007 5160 ILE 10 HG23 0.0014 -0.0002 -0.0011 5161 ILE 10 HD11 -0.0000 -0.0012 0.0002 5162 ILE 10 HD12 -0.0004 -0.0007 0.0008 5163 ILE 10 HD13 0.0002 -0.0004 0.0003 5164 HIS 11 N 0.0017 -0.0008 -0.0017 5165 HIS 11 CA 0.0021 -0.0010 -0.0023 5166 HIS 11 C 0.0024 -0.0005 -0.0025 5167 HIS 11 O 0.0026 0.0001 -0.0024 5168 HIS 11 CB 0.0024 -0.0010 -0.0027 5169 HIS 11 CG 0.0028 -0.0012 -0.0033 5170 HIS 11 ND1 0.0032 -0.0009 -0.0037 5171 HIS 11 CD2 0.0028 -0.0018 -0.0036 5172 HIS 11 CE1 0.0035 -0.0012 -0.0042 5173 HIS 11 NE2 0.0033 -0.0018 -0.0042 5174 HIS 11 H 0.0017 -0.0003 -0.0015 5175 HIS 11 HA 0.0020 -0.0015 -0.0024 5176 HIS 11 HB2 0.0021 -0.0013 -0.0025 5177 HIS 11 HB3 0.0025 -0.0005 -0.0026 5178 HIS 11 HD2 0.0025 -0.0022 -0.0034 5179 HIS 11 HE1 0.0039 -0.0010 -0.0046 5180 HIS 11 HE2 0.0034 -0.0022 -0.0045 5181 ARG 12 N 0.0025 -0.0007 -0.0027 5182 ARG 12 CA 0.0028 -0.0003 -0.0028 5183 ARG 12 C 0.0033 -0.0000 -0.0033 5184 ARG 12 O 0.0035 -0.0004 -0.0038 5185 ARG 12 CB 0.0027 -0.0007 -0.0029 5186 ARG 12 CG 0.0030 -0.0003 -0.0030 5187 ARG 12 CD 0.0028 -0.0007 -0.0030 5188 ARG 12 NE 0.0031 -0.0003 -0.0032 5189 ARG 12 CZ 0.0033 -0.0006 -0.0036 5190 ARG 12 NH1 0.0034 -0.0012 -0.0039 5191 ARG 12 NH2 0.0035 -0.0002 -0.0037 5192 ARG 12 H 0.0023 -0.0012 -0.0027 5193 ARG 12 HA 0.0027 0.0002 -0.0024 5194 ARG 12 HB2 0.0023 -0.0009 -0.0025 5195 ARG 12 HB3 0.0028 -0.0011 -0.0033 5196 ARG 12 HG2 0.0033 -0.0001 -0.0034 5197 ARG 12 HG3 0.0029 0.0002 -0.0027 5198 ARG 12 HD2 0.0024 -0.0008 -0.0026 5199 ARG 12 HD3 0.0029 -0.0012 -0.0034 5200 ARG 12 HE 0.0030 0.0002 -0.0029 5201 ARG 12 HH11 0.0032 -0.0014 -0.0039 5202 ARG 12 HH12 0.0035 -0.0014 -0.0043 5203 ARG 12 HH21 0.0035 0.0003 -0.0034 5204 ARG 12 HH22 0.0037 -0.0004 -0.0040 5205 ALA 13 N 0.0038 0.0005 -0.0035 5206 ALA 13 CA 0.0044 0.0009 -0.0040 5207 ALA 13 C 0.0049 0.0011 -0.0043 5208 ALA 13 O 0.0053 0.0019 -0.0043 5209 ALA 13 CB 0.0045 0.0017 -0.0036 5210 ALA 13 H 0.0035 0.0009 -0.0030 5211 ALA 13 HA 0.0046 0.0005 -0.0043 5212 ALA 13 HB1 0.0050 0.0020 -0.0040 5213 ALA 13 HB2 0.0044 0.0021 -0.0032 5214 ALA 13 HB3 0.0042 0.0015 -0.0034 5215 GLY 14 N 0.0049 0.0005 -0.0046 5216 GLY 14 CA 0.0053 0.0007 -0.0050 5217 GLY 14 C 0.0050 0.0010 -0.0045 5218 GLY 14 O 0.0050 0.0007 -0.0046 5219 GLY 14 H 0.0045 -0.0000 -0.0046 5220 GLY 14 HA2 0.0053 0.0001 -0.0053 5221 GLY 14 HA3 0.0057 0.0011 -0.0052 5222 LYS 15 N 0.0048 0.0016 -0.0039 5223 LYS 15 CA 0.0045 0.0020 -0.0034 5224 LYS 15 C 0.0038 0.0015 -0.0030 5225 LYS 15 O 0.0037 0.0010 -0.0031 5226 LYS 15 CB 0.0046 0.0029 -0.0030 5227 LYS 15 CG 0.0046 0.0030 -0.0029 5228 LYS 15 CD 0.0045 0.0039 -0.0025 5229 LYS 15 CE 0.0051 0.0046 -0.0027 5230 LYS 15 NZ 0.0051 0.0054 -0.0022 5231 LYS 15 H 0.0048 0.0018 -0.0039 5232 LYS 15 HA 0.0048 0.0021 -0.0037 5233 LYS 15 HB2 0.0041 0.0030 -0.0025 5234 LYS 15 HB3 0.0050 0.0033 -0.0032 5235 LYS 15 HG2 0.0050 0.0030 -0.0034 5236 LYS 15 HG3 0.0041 0.0025 -0.0028 5237 LYS 15 HD2 0.0045 0.0039 -0.0024 5238 LYS 15 HD3 0.0041 0.0039 -0.0020 5239 LYS 15 HE2 0.0052 0.0045 -0.0028 5240 LYS 15 HE3 0.0056 0.0045 -0.0032 5241 LYS 15 HZ1 0.0047 0.0054 -0.0017 5242 LYS 15 HZ2 0.0051 0.0055 -0.0022 5243 LYS 15 HZ3 0.0055 0.0058 -0.0024 5244 LYS 16 N 0.0033 0.0016 -0.0024 5245 LYS 16 CA 0.0027 0.0012 -0.0020 5246 LYS 16 C 0.0023 0.0011 -0.0016 5247 LYS 16 O 0.0025 0.0013 -0.0017 5248 LYS 16 CB 0.0024 0.0016 -0.0015 5249 LYS 16 CG 0.0027 0.0025 -0.0012 5250 LYS 16 CD 0.0026 0.0029 -0.0010 5251 LYS 16 CE 0.0030 0.0039 -0.0008 5252 LYS 16 NZ 0.0030 0.0043 -0.0006 5253 LYS 16 H 0.0035 0.0020 -0.0024 5254 LYS 16 HA 0.0026 0.0005 -0.0023 5255 LYS 16 HB2 0.0019 0.0014 -0.0011 5256 LYS 16 HB3 0.0026 0.0014 -0.0017 5257 LYS 16 HG2 0.0032 0.0027 -0.0016 5258 LYS 16 HG3 0.0024 0.0027 -0.0008 5259 LYS 16 HD2 0.0022 0.0028 -0.0005 5260 LYS 16 HD3 0.0029 0.0027 -0.0014 5261 LYS 16 HE2 0.0035 0.0040 -0.0013 5262 LYS 16 HE3 0.0027 0.0041 -0.0004 5263 LYS 16 HZ1 0.0031 0.0049 -0.0004 5264 LYS 16 HZ2 0.0034 0.0042 -0.0010 5265 LYS 16 HZ3 0.0026 0.0040 -0.0003 5266 TYR 17 N 0.0016 0.0008 -0.0011 5267 TYR 17 CA 0.0012 0.0007 -0.0006 5268 TYR 17 C 0.0010 0.0014 -0.0001 5269 TYR 17 O 0.0006 0.0015 0.0004 5270 TYR 17 CB 0.0005 -0.0001 -0.0004 5271 TYR 17 CG 0.0007 -0.0008 -0.0010 5272 TYR 17 CD1 0.0008 -0.0014 -0.0013 5273 TYR 17 CD2 0.0007 -0.0010 -0.0011 5274 TYR 17 CE1 0.0009 -0.0020 -0.0019 5275 TYR 17 CE2 0.0009 -0.0017 -0.0016 5276 TYR 17 CZ 0.0010 -0.0022 -0.0020 5277 TYR 17 OH 0.0011 -0.0029 -0.0025 5278 TYR 17 H 0.0014 0.0006 -0.0010 5279 TYR 17 HA 0.0014 0.0006 -0.0009 5280 TYR 17 HB2 0.0003 0.0001 -0.0000 5281 TYR 17 HB3 0.0003 -0.0002 -0.0002 5282 TYR 17 HD1 0.0007 -0.0012 -0.0012 5283 TYR 17 HD2 0.0007 -0.0006 -0.0008 5284 TYR 17 HE1 0.0010 -0.0024 -0.0022 5285 TYR 17 HE2 0.0009 -0.0018 -0.0017 5286 TYR 17 HH 0.0008 -0.0032 -0.0024 5287 GLY 18 N 0.0013 0.0021 -0.0001 5288 GLY 18 CA 0.0013 0.0029 0.0004 5289 GLY 18 C 0.0006 0.0029 0.0012 5290 GLY 18 O 0.0004 0.0032 0.0016 5291 GLY 18 H 0.0016 0.0020 -0.0004 5292 GLY 18 HA2 0.0015 0.0032 0.0004 5293 GLY 18 HA3 0.0015 0.0032 0.0004 5294 PHE 19 N -0.0012 0.0011 0.0020 5295 PHE 19 CA -0.0014 0.0011 0.0025 5296 PHE 19 C -0.0013 0.0011 0.0025 5297 PHE 19 O -0.0013 0.0011 0.0021 5298 PHE 19 CB -0.0018 0.0006 0.0027 5299 PHE 19 CG -0.0021 0.0002 0.0024 5300 PHE 19 CD1 -0.0021 0.0000 0.0019 5301 PHE 19 CD2 -0.0023 0.0000 0.0027 5302 PHE 19 CE1 -0.0024 -0.0003 0.0016 5303 PHE 19 CE2 -0.0025 -0.0003 0.0025 5304 PHE 19 CZ -0.0026 -0.0005 0.0019 5305 PHE 19 H -0.0012 0.0011 0.0016 5306 PHE 19 HA -0.0012 0.0013 0.0028 5307 PHE 19 HB2 -0.0019 0.0006 0.0032 5308 PHE 19 HB3 -0.0019 0.0005 0.0026 5309 PHE 19 HD1 -0.0020 0.0002 0.0016 5310 PHE 19 HD2 -0.0022 0.0002 0.0032 5311 PHE 19 HE1 -0.0024 -0.0005 0.0012 5312 PHE 19 HE2 -0.0027 -0.0005 0.0027 5313 PHE 19 HZ -0.0028 -0.0008 0.0017 5314 THR 20 N -0.0013 0.0013 0.0030 5315 THR 20 CA -0.0012 0.0014 0.0032 5316 THR 20 C -0.0016 0.0010 0.0034 5317 THR 20 O -0.0018 0.0009 0.0039 5318 THR 20 CB -0.0009 0.0019 0.0036 5319 THR 20 OG1 -0.0006 0.0022 0.0034 5320 THR 20 CG2 -0.0008 0.0020 0.0037 5321 THR 20 H -0.0013 0.0014 0.0034 5322 THR 20 HA -0.0011 0.0015 0.0028 5323 THR 20 HB -0.0011 0.0018 0.0040 5324 THR 20 HG1 -0.0007 0.0021 0.0032 5325 THR 20 HG21 -0.0007 0.0022 0.0034 5326 THR 20 HG22 -0.0011 0.0018 0.0038 5327 THR 20 HG23 -0.0007 0.0023 0.0041 5328 LEU 21 N -0.0017 0.0009 0.0031 5329 LEU 21 CA -0.0020 0.0005 0.0033 5330 LEU 21 C -0.0019 0.0007 0.0036 5331 LEU 21 O -0.0018 0.0007 0.0034 5332 LEU 21 CB -0.0022 0.0001 0.0028 5333 LEU 21 CG -0.0026 -0.0004 0.0030 5334 LEU 21 CD1 -0.0028 -0.0004 0.0035 5335 LEU 21 CD2 -0.0028 -0.0007 0.0025 5336 LEU 21 H -0.0015 0.0010 0.0027 5337 LEU 21 HA -0.0022 0.0003 0.0036 5338 LEU 21 HB2 -0.0021 0.0001 0.0024 5339 LEU 21 HB3 -0.0021 0.0002 0.0026 5340 LEU 21 HG -0.0027 -0.0004 0.0030 5341 LEU 21 HD11 -0.0027 -0.0002 0.0039 5342 LEU 21 HD12 -0.0031 -0.0008 0.0036 5343 LEU 21 HD13 -0.0027 -0.0003 0.0034 5344 LEU 21 HD21 -0.0031 -0.0010 0.0025 5345 LEU 21 HD22 -0.0027 -0.0006 0.0021 5346 LEU 21 HD23 -0.0028 -0.0007 0.0024 5347 ARG 22 N -0.0018 0.0009 0.0042 5348 ARG 22 CA -0.0017 0.0011 0.0045 5349 ARG 22 C -0.0020 0.0007 0.0046 5350 ARG 22 O -0.0024 0.0004 0.0047 5351 ARG 22 CB -0.0017 0.0013 0.0051 5352 ARG 22 CG -0.0014 0.0017 0.0054 5353 ARG 22 CD -0.0010 0.0022 0.0052 5354 ARG 22 NE -0.0008 0.0026 0.0056 5355 ARG 22 CZ -0.0004 0.0030 0.0055 5356 ARG 22 NH1 -0.0002 0.0031 0.0050 5357 ARG 22 NH2 -0.0002 0.0033 0.0060 5358 ARG 22 H -0.0019 0.0009 0.0043 5359 ARG 22 HA -0.0015 0.0014 0.0043 5360 ARG 22 HB2 -0.0016 0.0014 0.0051 5361 ARG 22 HB3 -0.0019 0.0010 0.0054 5362 ARG 22 HG2 -0.0015 0.0017 0.0059 5363 ARG 22 HG3 -0.0014 0.0017 0.0053 5364 ARG 22 HD2 -0.0009 0.0022 0.0048 5365 ARG 22 HD3 -0.0010 0.0021 0.0052 5366 ARG 22 HE -0.0009 0.0025 0.0060 5367 ARG 22 HH11 -0.0004 0.0029 0.0047 5368 ARG 22 HH12 0.0001 0.0034 0.0050 5369 ARG 22 HH21 -0.0003 0.0033 0.0064 5370 ARG 22 HH22 0.0001 0.0037 0.0059 5371 ALA 23 N -0.0019 0.0009 0.0046 5372 ALA 23 CA -0.0022 0.0006 0.0047 5373 ALA 23 C -0.0022 0.0007 0.0053 5374 ALA 23 O -0.0019 0.0011 0.0055 5375 ALA 23 CB -0.0021 0.0006 0.0043 5376 ALA 23 H -0.0017 0.0012 0.0046 5377 ALA 23 HA -0.0025 0.0002 0.0047 5378 ALA 23 HB1 -0.0018 0.0010 0.0043 5379 ALA 23 HB2 -0.0020 0.0006 0.0038 5380 ALA 23 HB3 -0.0023 0.0004 0.0043 5381 ILE 24 N -0.0026 0.0003 0.0056 5382 ILE 24 CA -0.0026 0.0004 0.0062 5383 ILE 24 C -0.0030 -0.0000 0.0063 5384 ILE 24 O -0.0032 -0.0004 0.0059 5385 ILE 24 CB -0.0027 0.0004 0.0067 5386 ILE 24 CG1 -0.0029 0.0001 0.0065 5387 ILE 24 CG2 -0.0023 0.0009 0.0068 5388 ILE 24 CD1 -0.0031 -0.0001 0.0070 5389 ILE 24 H -0.0028 0.0000 0.0054 5390 ILE 24 HA -0.0024 0.0007 0.0063 5391 ILE 24 HB -0.0028 0.0003 0.0071 5392 ILE 24 HG12 -0.0028 0.0002 0.0062 5393 ILE 24 HG13 -0.0031 -0.0002 0.0063 5394 ILE 24 HG21 -0.0024 0.0009 0.0071 5395 ILE 24 HG22 -0.0022 0.0010 0.0064 5396 ILE 24 HG23 -0.0021 0.0011 0.0069 5397 ILE 24 HD11 -0.0033 -0.0002 0.0073 5398 ILE 24 HD12 -0.0033 -0.0003 0.0069 5399 ILE 24 HD13 -0.0029 0.0002 0.0073 5400 ARG 25 N -0.0005 -0.0014 0.0049 5401 ARG 25 CA -0.0010 0.0004 0.0028 5402 ARG 25 C -0.0003 -0.0002 0.0029 5403 ARG 25 O 0.0020 -0.0016 0.0025 5404 ARG 25 CB 0.0006 0.0011 -0.0000 5405 ARG 25 CG 0.0033 -0.0007 -0.0002 5406 ARG 25 CD 0.0040 -0.0002 -0.0017 5407 ARG 25 NE 0.0021 0.0004 -0.0005 5408 ARG 25 CZ 0.0019 -0.0011 0.0019 5409 ARG 25 NH1 0.0035 -0.0031 0.0033 5410 ARG 25 NH2 0.0002 -0.0004 0.0028 5411 ARG 25 H 0.0011 -0.0028 0.0053 5412 ARG 25 HA -0.0031 0.0017 0.0030 5413 ARG 25 HB2 0.0008 0.0020 -0.0015 5414 ARG 25 HB3 -0.0006 0.0022 -0.0004 5415 ARG 25 HG2 0.0033 -0.0021 0.0019 5416 ARG 25 HG3 0.0047 -0.0011 -0.0012 5417 ARG 25 HD2 0.0059 -0.0015 -0.0018 5418 ARG 25 HD3 0.0039 0.0012 -0.0038 5419 ARG 25 HE 0.0010 0.0019 -0.0015 5420 ARG 25 HH11 0.0048 -0.0036 0.0026 5421 ARG 25 HH12 0.0033 -0.0042 0.0051 5422 ARG 25 HH21 -0.0010 0.0011 0.0017 5423 ARG 25 HH22 -0.0000 -0.0015 0.0046 5424 VAL 26 N -0.0023 0.0008 0.0036 5425 VAL 26 CA -0.0019 0.0004 0.0038 5426 VAL 26 C -0.0013 0.0017 0.0011 5427 VAL 26 O -0.0029 0.0037 -0.0002 5428 VAL 26 CB -0.0044 0.0008 0.0059 5429 VAL 26 CG1 -0.0046 -0.0010 0.0088 5430 VAL 26 CG2 -0.0069 0.0030 0.0053 5431 VAL 26 H -0.0041 0.0019 0.0039 5432 VAL 26 HA -0.0003 -0.0013 0.0046 5433 VAL 26 HB -0.0042 0.0008 0.0057 5434 VAL 26 HG11 -0.0066 -0.0003 0.0100 5435 VAL 26 HG12 -0.0035 -0.0018 0.0088 5436 VAL 26 HG13 -0.0038 -0.0022 0.0097 5437 VAL 26 HG21 -0.0070 0.0042 0.0035 5438 VAL 26 HG22 -0.0069 0.0032 0.0050 5439 VAL 26 HG23 -0.0086 0.0030 0.0070 5440 TYR 27 N 0.0011 0.0007 0.0002 5441 TYR 27 CA 0.0018 0.0018 -0.0024 5442 TYR 27 C 0.0006 0.0024 -0.0019 5443 TYR 27 O 0.0014 0.0010 -0.0007 5444 TYR 27 CB 0.0049 0.0004 -0.0036 5445 TYR 27 CG 0.0062 0.0005 -0.0051 5446 TYR 27 CD1 0.0063 -0.0005 -0.0037 5447 TYR 27 CD2 0.0072 0.0016 -0.0079 5448 TYR 27 CE1 0.0075 -0.0005 -0.0051 5449 TYR 27 CE2 0.0084 0.0016 -0.0093 5450 TYR 27 CZ 0.0085 0.0006 -0.0079 5451 TYR 27 OH 0.0097 0.0007 -0.0092 5452 TYR 27 H 0.0023 -0.0009 0.0012 5453 TYR 27 HA 0.0011 0.0033 -0.0038 5454 TYR 27 HB2 0.0057 -0.0012 -0.0019 5455 TYR 27 HB3 0.0054 0.0010 -0.0050 5456 TYR 27 HD1 0.0055 -0.0014 -0.0015 5457 TYR 27 HD2 0.0071 0.0024 -0.0090 5458 TYR 27 HE1 0.0076 -0.0013 -0.0040 5459 TYR 27 HE2 0.0093 0.0025 -0.0114 5460 TYR 27 HH 0.0092 0.0021 -0.0108 5461 MET 28 N -0.0014 0.0044 -0.0029 5462 MET 28 CA -0.0028 0.0052 -0.0025 5463 MET 28 C -0.0013 0.0056 -0.0046 5464 MET 28 O -0.0022 0.0062 -0.0046 5465 MET 28 CB -0.0056 0.0073 -0.0026 5466 MET 28 CG -0.0077 0.0071 -0.0000 5467 MET 28 SD -0.0075 0.0050 0.0029 5468 MET 28 CE -0.0098 0.0049 0.0056 5469 MET 28 H -0.0019 0.0055 -0.0038 5470 MET 28 HA -0.0029 0.0040 -0.0005 5471 MET 28 HB2 -0.0058 0.0077 -0.0030 5472 MET 28 HB3 -0.0058 0.0085 -0.0042 5473 MET 28 HG2 -0.0096 0.0086 -0.0003 5474 MET 28 HG3 -0.0076 0.0068 0.0003 5475 MET 28 HE1 -0.0100 0.0038 0.0075 5476 MET 28 HE2 -0.0092 0.0044 0.0056 5477 MET 28 HE3 -0.0117 0.0065 0.0052 5478 GLY 29 N 0.0009 0.0052 -0.0064 5479 GLY 29 CA 0.0025 0.0054 -0.0085 5480 GLY 29 C 0.0053 0.0041 -0.0096 5481 GLY 29 O 0.0060 0.0034 -0.0093 5482 GLY 29 H 0.0016 0.0047 -0.0063 5483 GLY 29 HA2 0.0024 0.0049 -0.0076 5484 GLY 29 HA3 0.0016 0.0071 -0.0101 5485 ASP 30 N 0.0070 0.0039 -0.0110 5486 ASP 30 CA 0.0098 0.0027 -0.0123 5487 ASP 30 C 0.0103 0.0041 -0.0150 5488 ASP 30 O 0.0116 0.0046 -0.0171 5489 ASP 30 CB 0.0114 0.0018 -0.0126 5490 ASP 30 CG 0.0143 0.0003 -0.0136 5491 ASP 30 OD1 0.0153 -0.0014 -0.0121 5492 ASP 30 OD2 0.0157 0.0008 -0.0158 5493 ASP 30 H 0.0063 0.0045 -0.0112 5494 ASP 30 HA 0.0104 0.0013 -0.0109 5495 ASP 30 HB2 0.0108 0.0009 -0.0107 5496 ASP 30 HB3 0.0109 0.0031 -0.0141 5497 SER 31 N 0.0088 0.0011 -0.0188 5498 SER 31 CA 0.0091 0.0022 -0.0214 5499 SER 31 C 0.0086 0.0019 -0.0200 5500 SER 31 O 0.0087 0.0004 -0.0173 5501 SER 31 CB 0.0071 0.0049 -0.0231 5502 SER 31 OG 0.0075 0.0052 -0.0245 5503 SER 31 H 0.0080 0.0007 -0.0166 5504 SER 31 HA 0.0110 0.0012 -0.0230 5505 SER 31 HB2 0.0051 0.0058 -0.0215 5506 SER 31 HB3 0.0073 0.0057 -0.0250 5507 SER 31 HG 0.0090 0.0036 -0.0240 5508 ASP 32 N 0.0079 0.0034 -0.0217 5509 ASP 32 CA 0.0074 0.0033 -0.0206 5510 ASP 32 C 0.0046 0.0046 -0.0182 5511 ASP 32 O 0.0037 0.0050 -0.0173 5512 ASP 32 CB 0.0078 0.0044 -0.0234 5513 ASP 32 CG 0.0054 0.0072 -0.0245 5514 ASP 32 OD1 0.0045 0.0084 -0.0254 5515 ASP 32 OD2 0.0043 0.0081 -0.0244 5516 ASP 32 H 0.0078 0.0046 -0.0238 5517 ASP 32 HA 0.0088 0.0014 -0.0193 5518 ASP 32 HB2 0.0082 0.0036 -0.0227 5519 ASP 32 HB3 0.0094 0.0039 -0.0253 5520 VAL 33 N 0.0032 0.0054 -0.0173 5521 VAL 33 CA 0.0006 0.0066 -0.0151 5522 VAL 33 C 0.0006 0.0048 -0.0117 5523 VAL 33 O 0.0018 0.0032 -0.0106 5524 VAL 33 CB -0.0010 0.0083 -0.0156 5525 VAL 33 CG1 0.0006 0.0070 -0.0158 5526 VAL 33 CG2 -0.0036 0.0093 -0.0129 5527 VAL 33 H 0.0040 0.0050 -0.0181 5528 VAL 33 HA -0.0004 0.0078 -0.0156 5529 VAL 33 HB -0.0015 0.0099 -0.0177 5530 VAL 33 HG11 0.0011 0.0054 -0.0137 5531 VAL 33 HG12 0.0023 0.0065 -0.0178 5532 VAL 33 HG13 -0.0006 0.0082 -0.0160 5533 VAL 33 HG21 -0.0032 0.0077 -0.0107 5534 VAL 33 HG22 -0.0047 0.0104 -0.0132 5535 VAL 33 HG23 -0.0048 0.0103 -0.0129 5536 TYR 34 N -0.0007 0.0052 -0.0101 5537 TYR 34 CA -0.0009 0.0037 -0.0068 5538 TYR 34 C -0.0033 0.0050 -0.0052 5539 TYR 34 O -0.0042 0.0066 -0.0068 5540 TYR 34 CB 0.0016 0.0012 -0.0065 5541 TYR 34 CG 0.0022 0.0015 -0.0082 5542 TYR 34 CD1 0.0011 0.0017 -0.0066 5543 TYR 34 CD2 0.0038 0.0017 -0.0113 5544 TYR 34 CE1 0.0016 0.0020 -0.0082 5545 TYR 34 CE2 0.0043 0.0020 -0.0128 5546 TYR 34 CZ 0.0033 0.0022 -0.0113 5547 TYR 34 OH 0.0038 0.0025 -0.0128 5548 TYR 34 H -0.0016 0.0066 -0.0111 5549 TYR 34 HA -0.0012 0.0033 -0.0056 5550 TYR 34 HB2 0.0013 0.0001 -0.0040 5551 TYR 34 HB3 0.0032 0.0002 -0.0075 5552 TYR 34 HD1 -0.0001 0.0016 -0.0042 5553 TYR 34 HD2 0.0046 0.0016 -0.0125 5554 TYR 34 HE1 0.0008 0.0021 -0.0069 5555 TYR 34 HE2 0.0056 0.0021 -0.0152 5556 TYR 34 HH 0.0027 0.0042 -0.0142 5557 THR 35 N -0.0045 0.0044 -0.0021 5558 THR 35 CA -0.0067 0.0056 -0.0004 5559 THR 35 C -0.0060 0.0037 0.0019 5560 THR 35 O -0.0048 0.0017 0.0037 5561 THR 35 CB -0.0091 0.0068 0.0014 5562 THR 35 OG1 -0.0085 0.0066 0.0007 5563 THR 35 CG2 -0.0116 0.0094 0.0007 5564 THR 35 H -0.0038 0.0032 -0.0010 5565 THR 35 HA -0.0073 0.0070 -0.0021 5566 THR 35 HB -0.0094 0.0058 0.0039 5567 THR 35 HG1 -0.0072 0.0065 -0.0013 5568 THR 35 HG21 -0.0120 0.0095 0.0013 5569 THR 35 HG22 -0.0132 0.0102 0.0020 5570 THR 35 HG23 -0.0113 0.0104 -0.0018 5571 VAL 36 N -0.0066 0.0044 0.0018 5572 VAL 36 CA -0.0061 0.0028 0.0038 5573 VAL 36 C -0.0082 0.0030 0.0070 5574 VAL 36 O -0.0105 0.0049 0.0073 5575 VAL 36 CB -0.0057 0.0032 0.0024 5576 VAL 36 CG1 -0.0051 0.0015 0.0045 5577 VAL 36 CG2 -0.0036 0.0030 -0.0009 5578 VAL 36 H -0.0076 0.0060 0.0003 5579 VAL 36 HA -0.0042 0.0009 0.0042 5580 VAL 36 HB -0.0076 0.0051 0.0021 5581 VAL 36 HG11 -0.0052 0.0020 0.0037 5582 VAL 36 HG12 -0.0031 -0.0003 0.0046 5583 VAL 36 HG13 -0.0065 0.0015 0.0069 5584 VAL 36 HG21 -0.0035 0.0034 -0.0019 5585 VAL 36 HG22 -0.0042 0.0043 -0.0024 5586 VAL 36 HG23 -0.0018 0.0012 -0.0006 5587 HIS 37 N -0.0050 -0.0003 0.0054 5588 HIS 37 CA -0.0051 -0.0004 0.0053 5589 HIS 37 C -0.0047 0.0000 0.0050 5590 HIS 37 O -0.0044 0.0004 0.0049 5591 HIS 37 CB -0.0052 -0.0006 0.0058 5592 HIS 37 CG -0.0056 -0.0011 0.0060 5593 HIS 37 ND1 -0.0059 -0.0015 0.0058 5594 HIS 37 CD2 -0.0057 -0.0012 0.0065 5595 HIS 37 CE1 -0.0062 -0.0018 0.0061 5596 HIS 37 NE2 -0.0061 -0.0017 0.0065 5597 HIS 37 H -0.0048 0.0000 0.0056 5598 HIS 37 HA -0.0053 -0.0007 0.0049 5599 HIS 37 HB2 -0.0051 -0.0003 0.0062 5600 HIS 37 HB3 -0.0052 -0.0006 0.0057 5601 HIS 37 HD2 -0.0056 -0.0009 0.0068 5602 HIS 37 HE1 -0.0065 -0.0022 0.0060 5603 HIS 37 HE2 -0.0063 -0.0018 0.0068 5604 HIS 38 N -0.0048 -0.0001 0.0049 5605 HIS 38 CA -0.0045 0.0003 0.0046 5606 HIS 38 C -0.0045 0.0003 0.0048 5607 HIS 38 O -0.0048 -0.0001 0.0050 5608 HIS 38 CB -0.0044 0.0002 0.0039 5609 HIS 38 CG -0.0044 0.0003 0.0036 5610 HIS 38 ND1 -0.0040 0.0007 0.0036 5611 HIS 38 CD2 -0.0046 -0.0001 0.0034 5612 HIS 38 CE1 -0.0041 0.0006 0.0033 5613 HIS 38 NE2 -0.0044 0.0002 0.0032 5614 HIS 38 H -0.0050 -0.0004 0.0050 5615 HIS 38 HA -0.0042 0.0007 0.0048 5616 HIS 38 HB2 -0.0047 -0.0001 0.0038 5617 HIS 38 HB3 -0.0042 0.0005 0.0037 5618 HIS 38 HD2 -0.0049 -0.0004 0.0033 5619 HIS 38 HE1 -0.0039 0.0009 0.0033 5620 HIS 38 HE2 -0.0046 0.0000 0.0031 5621 MET 39 N -0.0042 0.0007 0.0049 5622 MET 39 CA -0.0042 0.0007 0.0051 5623 MET 39 C -0.0039 0.0010 0.0048 5624 MET 39 O -0.0036 0.0014 0.0046 5625 MET 39 CB -0.0042 0.0008 0.0058 5626 MET 39 CG -0.0045 0.0005 0.0062 5627 MET 39 SD -0.0046 0.0005 0.0069 5628 MET 39 CE -0.0041 0.0011 0.0072 5629 MET 39 H -0.0040 0.0010 0.0047 5630 MET 39 HA -0.0045 0.0003 0.0050 5631 MET 39 HB2 -0.0039 0.0012 0.0058 5632 MET 39 HB3 -0.0042 0.0008 0.0059 5633 MET 39 HG2 -0.0047 0.0001 0.0060 5634 MET 39 HG3 -0.0044 0.0006 0.0062 5635 MET 39 HE1 -0.0039 0.0013 0.0069 5636 MET 39 HE2 -0.0040 0.0012 0.0071 5637 MET 39 HE3 -0.0041 0.0011 0.0076 5638 VAL 40 N -0.0040 0.0009 0.0047 5639 VAL 40 CA -0.0037 0.0012 0.0044 5640 VAL 40 C -0.0034 0.0017 0.0048 5641 VAL 40 O -0.0035 0.0017 0.0052 5642 VAL 40 CB -0.0039 0.0010 0.0041 5643 VAL 40 CG1 -0.0042 0.0007 0.0046 5644 VAL 40 CG2 -0.0036 0.0013 0.0039 5645 VAL 40 H -0.0043 0.0006 0.0048 5646 VAL 40 HA -0.0036 0.0014 0.0040 5647 VAL 40 HB -0.0041 0.0007 0.0038 5648 VAL 40 HG11 -0.0044 0.0004 0.0048 5649 VAL 40 HG12 -0.0043 0.0005 0.0044 5650 VAL 40 HG13 -0.0040 0.0009 0.0050 5651 VAL 40 HG21 -0.0034 0.0016 0.0037 5652 VAL 40 HG22 -0.0035 0.0015 0.0042 5653 VAL 40 HG23 -0.0037 0.0012 0.0036 5654 TRP 41 N -0.0031 0.0021 0.0047 5655 TRP 41 CA -0.0028 0.0025 0.0050 5656 TRP 41 C -0.0027 0.0028 0.0049 5657 TRP 41 O -0.0025 0.0029 0.0054 5658 TRP 41 CB -0.0025 0.0029 0.0049 5659 TRP 41 CG -0.0023 0.0032 0.0054 5660 TRP 41 CD1 -0.0020 0.0037 0.0054 5661 TRP 41 CD2 -0.0025 0.0031 0.0060 5662 TRP 41 NE1 -0.0019 0.0039 0.0060 5663 TRP 41 CE2 -0.0022 0.0036 0.0063 5664 TRP 41 CE3 -0.0028 0.0027 0.0063 5665 TRP 41 CZ2 -0.0022 0.0036 0.0070 5666 TRP 41 CZ3 -0.0029 0.0027 0.0069 5667 TRP 41 CH2 -0.0026 0.0031 0.0072 5668 TRP 41 H -0.0031 0.0021 0.0043 5669 TRP 41 HA -0.0029 0.0025 0.0055 5670 TRP 41 HB2 -0.0027 0.0027 0.0047 5671 TRP 41 HB3 -0.0024 0.0031 0.0045 5672 TRP 41 HD1 -0.0018 0.0039 0.0050 5673 TRP 41 HE1 -0.0016 0.0043 0.0061 5674 TRP 41 HE3 -0.0031 0.0023 0.0061 5675 TRP 41 HZ2 -0.0020 0.0039 0.0072 5676 TRP 41 HZ3 -0.0032 0.0024 0.0071 5677 TRP 41 HH2 -0.0026 0.0031 0.0077 5678 HIS 42 N -0.0026 0.0027 0.0044 5679 HIS 42 CA -0.0025 0.0029 0.0042 5680 HIS 42 C -0.0026 0.0027 0.0036 5681 HIS 42 O -0.0026 0.0026 0.0032 5682 HIS 42 CB -0.0020 0.0035 0.0041 5683 HIS 42 CG -0.0018 0.0038 0.0043 5684 HIS 42 ND1 -0.0017 0.0040 0.0049 5685 HIS 42 CD2 -0.0018 0.0038 0.0040 5686 HIS 42 CE1 -0.0015 0.0043 0.0049 5687 HIS 42 NE2 -0.0016 0.0041 0.0044 5688 HIS 42 H -0.0027 0.0026 0.0041 5689 HIS 42 HA -0.0025 0.0029 0.0046 5690 HIS 42 HB2 -0.0020 0.0036 0.0044 5691 HIS 42 HB3 -0.0020 0.0035 0.0036 5692 HIS 42 HD2 -0.0019 0.0036 0.0036 5693 HIS 42 HE1 -0.0014 0.0045 0.0053 5694 HIS 42 HE2 -0.0015 0.0042 0.0044 5695 VAL 43 N -0.0019 0.0040 0.0030 5696 VAL 43 CA -0.0013 0.0036 0.0024 5697 VAL 43 C -0.0006 0.0043 0.0022 5698 VAL 43 O -0.0006 0.0051 0.0024 5699 VAL 43 CB -0.0016 0.0031 0.0025 5700 VAL 43 CG1 -0.0020 0.0037 0.0030 5701 VAL 43 CG2 -0.0009 0.0027 0.0019 5702 VAL 43 H -0.0021 0.0045 0.0033 5703 VAL 43 HA -0.0011 0.0030 0.0021 5704 VAL 43 HB -0.0021 0.0025 0.0026 5705 VAL 43 HG11 -0.0025 0.0038 0.0034 5706 VAL 43 HG12 -0.0021 0.0034 0.0030 5707 VAL 43 HG13 -0.0016 0.0044 0.0029 5708 VAL 43 HG21 -0.0007 0.0022 0.0016 5709 VAL 43 HG22 -0.0005 0.0033 0.0018 5710 VAL 43 HG23 -0.0012 0.0024 0.0020 5711 GLU 44 N 0.0001 0.0041 0.0016 5712 GLU 44 CA 0.0009 0.0047 0.0013 5713 GLU 44 C 0.0012 0.0049 0.0011 5714 GLU 44 O 0.0014 0.0043 0.0008 5715 GLU 44 CB 0.0015 0.0043 0.0007 5716 GLU 44 CG 0.0018 0.0049 0.0007 5717 GLU 44 CD 0.0025 0.0046 0.0001 5718 GLU 44 OE1 0.0024 0.0038 -0.0001 5719 GLU 44 OE2 0.0032 0.0052 -0.0002 5720 GLU 44 H 0.0001 0.0035 0.0014 5721 GLU 44 HA 0.0008 0.0054 0.0015 5722 GLU 44 HB2 0.0013 0.0036 0.0006 5723 GLU 44 HB3 0.0021 0.0044 0.0003 5724 GLU 44 HG2 0.0019 0.0056 0.0009 5725 GLU 44 HG3 0.0013 0.0047 0.0010 5726 ASP 45 N 0.0012 0.0058 0.0014 5727 ASP 45 CA 0.0014 0.0060 0.0013 5728 ASP 45 C 0.0024 0.0062 0.0007 5729 ASP 45 O 0.0027 0.0069 0.0007 5730 ASP 45 CB 0.0011 0.0069 0.0018 5731 ASP 45 CG 0.0013 0.0077 0.0019 5732 ASP 45 OD1 0.0011 0.0076 0.0020 5733 ASP 45 OD2 0.0017 0.0085 0.0019 5734 ASP 45 H 0.0010 0.0062 0.0016 5735 ASP 45 HA 0.0012 0.0054 0.0013 5736 ASP 45 HB2 0.0013 0.0071 0.0017 5737 ASP 45 HB3 0.0004 0.0067 0.0022 5738 GLY 46 N 0.0028 0.0057 0.0003 5739 GLY 46 CA 0.0036 0.0058 -0.0003 5740 GLY 46 C 0.0040 0.0051 -0.0008 5741 GLY 46 O 0.0047 0.0052 -0.0013 5742 GLY 46 H 0.0025 0.0051 0.0003 5743 GLY 46 HA2 0.0038 0.0065 -0.0003 5744 GLY 46 HA3 0.0038 0.0058 -0.0005 5745 GLY 47 N 0.0034 0.0043 -0.0006 5746 GLY 47 CA 0.0037 0.0036 -0.0011 5747 GLY 47 C 0.0032 0.0027 -0.0010 5748 GLY 47 O 0.0030 0.0023 -0.0010 5749 GLY 47 H 0.0029 0.0043 -0.0003 5750 GLY 47 HA2 0.0038 0.0039 -0.0011 5751 GLY 47 HA3 0.0043 0.0035 -0.0015 5752 PRO 48 N 0.0028 0.0023 -0.0009 5753 PRO 48 CA 0.0023 0.0014 -0.0008 5754 PRO 48 C 0.0015 0.0013 -0.0002 5755 PRO 48 O 0.0015 0.0015 -0.0002 5756 PRO 48 CB 0.0021 0.0012 -0.0007 5757 PRO 48 CG 0.0028 0.0018 -0.0010 5758 PRO 48 CD 0.0030 0.0026 -0.0009 5759 PRO 48 HA 0.0026 0.0008 -0.0012 5760 PRO 48 HB2 0.0016 0.0015 -0.0003 5761 PRO 48 HB3 0.0021 0.0005 -0.0009 5762 PRO 48 HG2 0.0027 0.0019 -0.0009 5763 PRO 48 HG3 0.0033 0.0014 -0.0015 5764 PRO 48 HD2 0.0027 0.0031 -0.0005 5765 PRO 48 HD3 0.0037 0.0029 -0.0013 5766 ALA 49 N 0.0010 0.0010 0.0003 5767 ALA 49 CA 0.0003 0.0008 0.0007 5768 ALA 49 C 0.0002 0.0015 0.0010 5769 ALA 49 O -0.0001 0.0014 0.0011 5770 ALA 49 CB -0.0003 0.0006 0.0011 5771 ALA 49 H 0.0010 0.0008 0.0003 5772 ALA 49 HA 0.0004 0.0003 0.0006 5773 ALA 49 HB1 -0.0005 -0.0000 0.0012 5774 ALA 49 HB2 -0.0006 0.0011 0.0015 5775 ALA 49 HB3 -0.0001 0.0006 0.0010 5776 SER 50 N 0.0003 0.0023 0.0010 5777 SER 50 CA 0.0002 0.0031 0.0012 5778 SER 50 C 0.0006 0.0031 0.0009 5779 SER 50 O 0.0002 0.0030 0.0012 5780 SER 50 CB 0.0004 0.0039 0.0012 5781 SER 50 OG -0.0001 0.0041 0.0015 5782 SER 50 H 0.0006 0.0024 0.0008 5783 SER 50 HA -0.0004 0.0031 0.0016 5784 SER 50 HB2 0.0009 0.0038 0.0008 5785 SER 50 HB3 0.0005 0.0044 0.0012 5786 SER 50 HG -0.0005 0.0042 0.0019 5787 GLU 51 N 0.0013 0.0031 0.0005 5788 GLU 51 CA 0.0017 0.0032 0.0002 5789 GLU 51 C 0.0015 0.0023 0.0001 5790 GLU 51 O 0.0017 0.0023 0.0000 5791 GLU 51 CB 0.0025 0.0033 -0.0004 5792 GLU 51 CG 0.0027 0.0042 -0.0003 5793 GLU 51 CD 0.0027 0.0049 -0.0003 5794 GLU 51 OE1 0.0022 0.0052 0.0002 5795 GLU 51 OE2 0.0033 0.0051 -0.0006 5796 GLU 51 H 0.0015 0.0031 0.0003 5797 GLU 51 HA 0.0015 0.0037 0.0004 5798 GLU 51 HB2 0.0026 0.0028 -0.0005 5799 GLU 51 HB3 0.0028 0.0032 -0.0006 5800 GLU 51 HG2 0.0023 0.0043 -0.0000 5801 GLU 51 HG3 0.0032 0.0042 -0.0007 5802 ALA 52 N 0.0013 0.0017 0.0002 5803 ALA 52 CA 0.0011 0.0008 0.0002 5804 ALA 52 C 0.0005 0.0009 0.0006 5805 ALA 52 O 0.0004 0.0004 0.0006 5806 ALA 52 CB 0.0010 0.0001 0.0002 5807 ALA 52 H 0.0012 0.0017 0.0003 5808 ALA 52 HA 0.0016 0.0007 -0.0002 5809 ALA 52 HB1 0.0013 0.0003 0.0000 5810 ALA 52 HB2 0.0011 -0.0005 -0.0000 5811 ALA 52 HB3 0.0004 0.0001 0.0006 5812 GLY 53 N 0.0000 0.0015 0.0010 5813 GLY 53 CA -0.0006 0.0016 0.0015 5814 GLY 53 C -0.0013 0.0016 0.0020 5815 GLY 53 O -0.0018 0.0017 0.0024 5816 GLY 53 H 0.0001 0.0018 0.0010 5817 GLY 53 HA2 -0.0005 0.0021 0.0015 5818 GLY 53 HA3 -0.0006 0.0010 0.0014 5819 LEU 54 N -0.0012 0.0014 0.0019 5820 LEU 54 CA -0.0018 0.0013 0.0023 5821 LEU 54 C -0.0020 0.0022 0.0026 5822 LEU 54 O -0.0016 0.0028 0.0024 5823 LEU 54 CB -0.0017 0.0009 0.0021 5824 LEU 54 CG -0.0023 0.0004 0.0025 5825 LEU 54 CD1 -0.0021 0.0000 0.0023 5826 LEU 54 CD2 -0.0029 0.0010 0.0030 5827 LEU 54 H -0.0007 0.0012 0.0015 5828 LEU 54 HA -0.0023 0.0010 0.0026 5829 LEU 54 HB2 -0.0013 0.0005 0.0018 5830 LEU 54 HB3 -0.0014 0.0014 0.0021 5831 LEU 54 HG -0.0025 -0.0001 0.0026 5832 LEU 54 HD11 -0.0017 -0.0005 0.0020 5833 LEU 54 HD12 -0.0026 -0.0002 0.0026 5834 LEU 54 HD13 -0.0018 0.0005 0.0022 5835 LEU 54 HD21 -0.0029 0.0014 0.0031 5836 LEU 54 HD22 -0.0028 0.0013 0.0030 5837 LEU 54 HD23 -0.0034 0.0006 0.0033 5838 ARG 55 N -0.0028 0.0011 0.0001 5839 ARG 55 CA -0.0032 0.0017 0.0001 5840 ARG 55 C -0.0037 0.0018 0.0006 5841 ARG 55 O -0.0038 0.0014 0.0011 5842 ARG 55 CB -0.0032 0.0016 0.0001 5843 ARG 55 CG -0.0031 0.0011 0.0005 5844 ARG 55 CD -0.0036 0.0013 0.0010 5845 ARG 55 NE -0.0037 0.0017 0.0008 5846 ARG 55 CZ -0.0040 0.0018 0.0011 5847 ARG 55 NH1 -0.0042 0.0016 0.0016 5848 ARG 55 NH2 -0.0041 0.0022 0.0008 5849 ARG 55 H -0.0027 0.0008 0.0003 5850 ARG 55 HA -0.0031 0.0020 -0.0003 5851 ARG 55 HB2 -0.0035 0.0020 0.0002 5852 ARG 55 HB3 -0.0028 0.0016 -0.0003 5853 ARG 55 HG2 -0.0028 0.0009 0.0003 5854 ARG 55 HG3 -0.0030 0.0008 0.0007 5855 ARG 55 HD2 -0.0035 0.0009 0.0013 5856 ARG 55 HD3 -0.0038 0.0014 0.0012 5857 ARG 55 HE -0.0035 0.0019 0.0003 5858 ARG 55 HH11 -0.0042 0.0013 0.0018 5859 ARG 55 HH12 -0.0045 0.0016 0.0019 5860 ARG 55 HH21 -0.0039 0.0024 0.0004 5861 ARG 55 HH22 -0.0043 0.0023 0.0011 5862 GLN 56 N -0.0039 0.0023 0.0005 5863 GLN 56 CA -0.0044 0.0025 0.0010 5864 GLN 56 C -0.0047 0.0024 0.0014 5865 GLN 56 O -0.0047 0.0026 0.0013 5866 GLN 56 CB -0.0047 0.0031 0.0008 5867 GLN 56 CG -0.0051 0.0033 0.0012 5868 GLN 56 CD -0.0053 0.0039 0.0009 5869 GLN 56 OE1 -0.0050 0.0040 0.0005 5870 GLN 56 NE2 -0.0058 0.0042 0.0012 5871 GLN 56 H -0.0038 0.0025 0.0002 5872 GLN 56 HA -0.0044 0.0022 0.0012 5873 GLN 56 HB2 -0.0044 0.0031 0.0004 5874 GLN 56 HB3 -0.0047 0.0034 0.0006 5875 GLN 56 HG2 -0.0054 0.0034 0.0015 5876 GLN 56 HG3 -0.0051 0.0030 0.0014 5877 GLN 56 HE21 -0.0060 0.0041 0.0016 5878 GLN 56 HE22 -0.0059 0.0046 0.0011 5879 GLY 57 N -0.0050 0.0023 0.0020 5880 GLY 57 CA -0.0053 0.0022 0.0024 5881 GLY 57 C -0.0050 0.0016 0.0027 5882 GLY 57 O -0.0052 0.0015 0.0030 5883 GLY 57 H -0.0050 0.0022 0.0021 5884 GLY 57 HA2 -0.0056 0.0023 0.0027 5885 GLY 57 HA3 -0.0054 0.0025 0.0022 5886 ASP 58 N -0.0046 0.0012 0.0025 5887 ASP 58 CA -0.0044 0.0006 0.0027 5888 ASP 58 C -0.0045 0.0002 0.0032 5889 ASP 58 O -0.0047 0.0004 0.0033 5890 ASP 58 CB -0.0038 0.0003 0.0022 5891 ASP 58 CG -0.0036 -0.0001 0.0023 5892 ASP 58 OD1 -0.0037 -0.0004 0.0027 5893 ASP 58 OD2 -0.0033 -0.0000 0.0018 5894 ASP 58 H -0.0045 0.0013 0.0022 5895 ASP 58 HA -0.0045 0.0006 0.0028 5896 ASP 58 HB2 -0.0038 0.0007 0.0018 5897 ASP 58 HB3 -0.0037 0.0001 0.0023 5898 LEU 59 N -0.0044 -0.0002 0.0035 5899 LEU 59 CA -0.0045 -0.0006 0.0040 5900 LEU 59 C -0.0041 -0.0011 0.0039 5901 LEU 59 O -0.0037 -0.0014 0.0037 5902 LEU 59 CB -0.0048 -0.0008 0.0045 5903 LEU 59 CG -0.0048 -0.0013 0.0050 5904 LEU 59 CD1 -0.0052 -0.0012 0.0054 5905 LEU 59 CD2 -0.0048 -0.0016 0.0053 5906 LEU 59 H -0.0043 -0.0003 0.0034 5907 LEU 59 HA -0.0048 -0.0004 0.0042 5908 LEU 59 HB2 -0.0052 -0.0004 0.0047 5909 LEU 59 HB3 -0.0046 -0.0008 0.0044 5910 LEU 59 HG -0.0044 -0.0016 0.0049 5911 LEU 59 HD11 -0.0051 -0.0011 0.0052 5912 LEU 59 HD12 -0.0051 -0.0016 0.0058 5913 LEU 59 HD13 -0.0055 -0.0009 0.0056 5914 LEU 59 HD21 -0.0048 -0.0020 0.0057 5915 LEU 59 HD22 -0.0045 -0.0017 0.0050 5916 LEU 59 HD23 -0.0051 -0.0013 0.0054 5917 ILE 60 N -0.0041 -0.0013 0.0041 5918 ILE 60 CA -0.0037 -0.0018 0.0041 5919 ILE 60 C -0.0037 -0.0023 0.0046 5920 ILE 60 O -0.0041 -0.0024 0.0050 5921 ILE 60 CB -0.0037 -0.0017 0.0040 5922 ILE 60 CG1 -0.0036 -0.0013 0.0034 5923 ILE 60 CG2 -0.0033 -0.0023 0.0040 5924 ILE 60 CD1 -0.0041 -0.0007 0.0034 5925 ILE 60 H -0.0044 -0.0011 0.0043 5926 ILE 60 HA -0.0034 -0.0019 0.0037 5927 ILE 60 HB -0.0040 -0.0016 0.0043 5928 ILE 60 HG12 -0.0035 -0.0013 0.0033 5929 ILE 60 HG13 -0.0033 -0.0013 0.0031 5930 ILE 60 HG21 -0.0030 -0.0024 0.0036 5931 ILE 60 HG22 -0.0034 -0.0026 0.0044 5932 ILE 60 HG23 -0.0033 -0.0022 0.0039 5933 ILE 60 HD11 -0.0043 -0.0006 0.0038 5934 ILE 60 HD12 -0.0041 -0.0006 0.0035 5935 ILE 60 HD13 -0.0040 -0.0003 0.0031 5936 THR 61 N -0.0036 -0.0026 0.0040 5937 THR 61 CA -0.0038 -0.0031 0.0043 5938 THR 61 C -0.0037 -0.0035 0.0039 5939 THR 61 O -0.0038 -0.0038 0.0041 5940 THR 61 CB -0.0040 -0.0034 0.0045 5941 THR 61 OG1 -0.0038 -0.0037 0.0040 5942 THR 61 CG2 -0.0040 -0.0030 0.0048 5943 THR 61 H -0.0035 -0.0026 0.0038 5944 THR 61 HA -0.0040 -0.0030 0.0047 5945 THR 61 HB -0.0041 -0.0038 0.0048 5946 THR 61 HG1 -0.0038 -0.0041 0.0039 5947 THR 61 HG21 -0.0039 -0.0027 0.0045 5948 THR 61 HG22 -0.0042 -0.0028 0.0052 5949 THR 61 HG23 -0.0041 -0.0033 0.0050 5950 HIS 62 N -0.0035 -0.0035 0.0034 5951 HIS 62 CA -0.0033 -0.0039 0.0030 5952 HIS 62 C -0.0031 -0.0036 0.0024 5953 HIS 62 O -0.0029 -0.0032 0.0023 5954 HIS 62 CB -0.0034 -0.0045 0.0029 5955 HIS 62 CG -0.0036 -0.0049 0.0033 5956 HIS 62 ND1 -0.0038 -0.0048 0.0038 5957 HIS 62 CD2 -0.0037 -0.0054 0.0034 5958 HIS 62 CE1 -0.0040 -0.0053 0.0041 5959 HIS 62 NE2 -0.0040 -0.0057 0.0039 5960 HIS 62 H -0.0034 -0.0033 0.0033 5961 HIS 62 HA -0.0034 -0.0040 0.0031 5962 HIS 62 HB2 -0.0033 -0.0044 0.0028 5963 HIS 62 HB3 -0.0032 -0.0047 0.0025 5964 HIS 62 HD2 -0.0036 -0.0056 0.0031 5965 HIS 62 HE1 -0.0042 -0.0053 0.0045 5966 HIS 62 HE2 -0.0041 -0.0061 0.0040 5967 VAL 63 N -0.0029 -0.0038 0.0021 5968 VAL 63 CA -0.0027 -0.0035 0.0016 5969 VAL 63 C -0.0025 -0.0040 0.0011 5970 VAL 63 O -0.0026 -0.0043 0.0012 5971 VAL 63 CB -0.0026 -0.0030 0.0016 5972 VAL 63 CG1 -0.0027 -0.0033 0.0018 5973 VAL 63 CG2 -0.0023 -0.0028 0.0010 5974 VAL 63 H -0.0030 -0.0041 0.0022 5975 VAL 63 HA -0.0026 -0.0033 0.0015 5976 VAL 63 HB -0.0027 -0.0027 0.0019 5977 VAL 63 HG11 -0.0029 -0.0035 0.0022 5978 VAL 63 HG12 -0.0027 -0.0029 0.0019 5979 VAL 63 HG13 -0.0027 -0.0036 0.0015 5980 VAL 63 HG21 -0.0023 -0.0023 0.0011 5981 VAL 63 HG22 -0.0022 -0.0029 0.0008 5982 VAL 63 HG23 -0.0023 -0.0030 0.0009 5983 ASN 64 N -0.0024 -0.0041 0.0007 5984 ASN 64 CA -0.0022 -0.0046 0.0003 5985 ASN 64 C -0.0024 -0.0052 0.0005 5986 ASN 64 O -0.0024 -0.0056 0.0003 5987 ASN 64 CB -0.0020 -0.0045 -0.0000 5988 ASN 64 CG -0.0018 -0.0044 -0.0006 5989 ASN 64 OD1 -0.0017 -0.0041 -0.0008 5990 ASN 64 ND2 -0.0016 -0.0045 -0.0010 5991 ASN 64 H -0.0023 -0.0039 0.0007 5992 ASN 64 HA -0.0021 -0.0046 0.0000 5993 ASN 64 HB2 -0.0021 -0.0041 0.0001 5994 ASN 64 HB3 -0.0021 -0.0048 -0.0000 5995 ASN 64 HD21 -0.0017 -0.0047 -0.0009 5996 ASN 64 HD22 -0.0014 -0.0045 -0.0014 5997 GLY 65 N -0.0026 -0.0053 0.0010 5998 GLY 65 CA -0.0028 -0.0059 0.0013 5999 GLY 65 C -0.0030 -0.0059 0.0016 6000 GLY 65 O -0.0030 -0.0064 0.0015 6001 GLY 65 H -0.0027 -0.0050 0.0012 6002 GLY 65 HA2 -0.0030 -0.0059 0.0016 6003 GLY 65 HA3 -0.0027 -0.0062 0.0010 6004 GLU 66 N -0.0030 -0.0054 0.0019 6005 GLU 66 CA -0.0032 -0.0054 0.0022 6006 GLU 66 C -0.0033 -0.0050 0.0027 6007 GLU 66 O -0.0032 -0.0044 0.0026 6008 GLU 66 CB -0.0030 -0.0052 0.0018 6009 GLU 66 CG -0.0030 -0.0054 0.0019 6010 GLU 66 CD -0.0032 -0.0061 0.0020 6011 GLU 66 OE1 -0.0030 -0.0064 0.0015 6012 GLU 66 OE2 -0.0034 -0.0062 0.0024 6013 GLU 66 H -0.0030 -0.0051 0.0019 6014 GLU 66 HA -0.0033 -0.0058 0.0023 6015 GLU 66 HB2 -0.0028 -0.0053 0.0013 6016 GLU 66 HB3 -0.0029 -0.0047 0.0018 6017 GLU 66 HG2 -0.0029 -0.0053 0.0015 6018 GLU 66 HG3 -0.0032 -0.0052 0.0022 6019 PRO 67 N -0.0051 -0.0038 0.0023 6020 PRO 67 CA -0.0052 -0.0035 0.0028 6021 PRO 67 C -0.0049 -0.0031 0.0027 6022 PRO 67 O -0.0048 -0.0032 0.0025 6023 PRO 67 CB -0.0055 -0.0038 0.0031 6024 PRO 67 CG -0.0057 -0.0043 0.0026 6025 PRO 67 CD -0.0055 -0.0043 0.0022 6026 PRO 67 HA -0.0052 -0.0033 0.0030 6027 PRO 67 HB2 -0.0055 -0.0037 0.0032 6028 PRO 67 HB3 -0.0057 -0.0039 0.0034 6029 PRO 67 HG2 -0.0056 -0.0043 0.0024 6030 PRO 67 HG3 -0.0060 -0.0046 0.0028 6031 PRO 67 HD2 -0.0054 -0.0045 0.0018 6032 PRO 67 HD3 -0.0056 -0.0044 0.0023 6033 VAL 68 N -0.0047 -0.0026 0.0030 6034 VAL 68 CA -0.0044 -0.0022 0.0030 6035 VAL 68 C -0.0045 -0.0022 0.0034 6036 VAL 68 O -0.0043 -0.0019 0.0035 6037 VAL 68 CB -0.0041 -0.0017 0.0032 6038 VAL 68 CG1 -0.0040 -0.0018 0.0028 6039 VAL 68 CG2 -0.0043 -0.0016 0.0037 6040 VAL 68 H -0.0048 -0.0026 0.0033 6041 VAL 68 HA -0.0042 -0.0023 0.0026 6042 VAL 68 HB -0.0039 -0.0014 0.0031 6043 VAL 68 HG11 -0.0038 -0.0015 0.0029 6044 VAL 68 HG12 -0.0042 -0.0021 0.0028 6045 VAL 68 HG13 -0.0038 -0.0018 0.0024 6046 VAL 68 HG21 -0.0044 -0.0016 0.0040 6047 VAL 68 HG22 -0.0045 -0.0019 0.0038 6048 VAL 68 HG23 -0.0041 -0.0013 0.0038 6049 HIS 69 N -0.0049 -0.0025 0.0037 6050 HIS 69 CA -0.0051 -0.0025 0.0042 6051 HIS 69 C -0.0051 -0.0026 0.0039 6052 HIS 69 O -0.0052 -0.0030 0.0037 6053 HIS 69 CB -0.0055 -0.0029 0.0044 6054 HIS 69 CG -0.0056 -0.0028 0.0047 6055 HIS 69 ND1 -0.0060 -0.0031 0.0051 6056 HIS 69 CD2 -0.0054 -0.0025 0.0047 6057 HIS 69 CE1 -0.0059 -0.0029 0.0053 6058 HIS 69 NE2 -0.0056 -0.0025 0.0051 6059 HIS 69 H -0.0050 -0.0027 0.0037 6060 HIS 69 HA -0.0050 -0.0022 0.0045 6061 HIS 69 HB2 -0.0056 -0.0033 0.0040 6062 HIS 69 HB3 -0.0057 -0.0030 0.0046 6063 HIS 69 HD2 -0.0050 -0.0022 0.0045 6064 HIS 69 HE1 -0.0062 -0.0031 0.0056 6065 HIS 69 HE2 -0.0055 -0.0023 0.0052 6066 GLY 70 N -0.0048 -0.0022 0.0041 6067 GLY 70 CA -0.0048 -0.0022 0.0039 6068 GLY 70 C -0.0044 -0.0020 0.0034 6069 GLY 70 O -0.0043 -0.0020 0.0032 6070 GLY 70 H -0.0047 -0.0019 0.0043 6071 GLY 70 HA2 -0.0048 -0.0020 0.0042 6072 GLY 70 HA3 -0.0050 -0.0026 0.0038 6073 LEU 71 N -0.0042 -0.0019 0.0032 6074 LEU 71 CA -0.0038 -0.0017 0.0027 6075 LEU 71 C -0.0036 -0.0012 0.0028 6076 LEU 71 O -0.0036 -0.0009 0.0033 6077 LEU 71 CB -0.0037 -0.0017 0.0024 6078 LEU 71 CG -0.0040 -0.0022 0.0021 6079 LEU 71 CD1 -0.0038 -0.0022 0.0018 6080 LEU 71 CD2 -0.0040 -0.0025 0.0018 6081 LEU 71 H -0.0043 -0.0019 0.0033 6082 LEU 71 HA -0.0039 -0.0019 0.0024 6083 LEU 71 HB2 -0.0037 -0.0015 0.0027 6084 LEU 71 HB3 -0.0034 -0.0015 0.0021 6085 LEU 71 HG -0.0042 -0.0024 0.0024 6086 LEU 71 HD11 -0.0037 -0.0019 0.0020 6087 LEU 71 HD12 -0.0040 -0.0026 0.0016 6088 LEU 71 HD13 -0.0035 -0.0021 0.0014 6089 LEU 71 HD21 -0.0038 -0.0024 0.0015 6090 LEU 71 HD22 -0.0042 -0.0029 0.0016 6091 LEU 71 HD23 -0.0042 -0.0026 0.0021 6092 VAL 72 N -0.0033 -0.0010 0.0025 6093 VAL 72 CA -0.0030 -0.0005 0.0026 6094 VAL 72 C -0.0027 -0.0002 0.0025 6095 VAL 72 O -0.0027 -0.0004 0.0022 6096 VAL 72 CB -0.0028 -0.0004 0.0023 6097 VAL 72 CG1 -0.0025 -0.0004 0.0018 6098 VAL 72 CG2 -0.0026 0.0000 0.0026 6099 VAL 72 H -0.0033 -0.0012 0.0022 6100 VAL 72 HA -0.0031 -0.0004 0.0031 6101 VAL 72 HB -0.0030 -0.0007 0.0023 6102 VAL 72 HG11 -0.0023 -0.0000 0.0017 6103 VAL 72 HG12 -0.0026 -0.0006 0.0016 6104 VAL 72 HG13 -0.0025 -0.0005 0.0015 6105 VAL 72 HG21 -0.0026 -0.0000 0.0025 6106 VAL 72 HG22 -0.0028 0.0001 0.0031 6107 VAL 72 HG23 -0.0024 0.0003 0.0025 6108 HIS 73 N -0.0027 -0.0005 0.0031 6109 HIS 73 CA -0.0024 -0.0001 0.0029 6110 HIS 73 C -0.0021 -0.0003 0.0023 6111 HIS 73 O -0.0020 -0.0003 0.0021 6112 HIS 73 CB -0.0021 0.0005 0.0031 6113 HIS 73 CG -0.0017 0.0010 0.0031 6114 HIS 73 ND1 -0.0018 0.0013 0.0036 6115 HIS 73 CD2 -0.0014 0.0011 0.0027 6116 HIS 73 CE1 -0.0015 0.0017 0.0035 6117 HIS 73 NE2 -0.0012 0.0016 0.0029 6118 HIS 73 H -0.0028 -0.0004 0.0033 6119 HIS 73 HA -0.0025 -0.0000 0.0032 6120 HIS 73 HB2 -0.0022 0.0006 0.0035 6121 HIS 73 HB3 -0.0018 0.0005 0.0027 6122 HIS 73 HD1 -0.0021 0.0013 0.0040 6123 HIS 73 HD2 -0.0012 0.0009 0.0022 6124 HIS 73 HE1 -0.0015 0.0021 0.0038 6125 THR 74 N -0.0019 -0.0004 0.0019 6126 THR 74 CA -0.0017 -0.0006 0.0013 6127 THR 74 C -0.0019 -0.0011 0.0011 6128 THR 74 O -0.0017 -0.0013 0.0006 6129 THR 74 CB -0.0015 -0.0005 0.0010 6130 THR 74 OG1 -0.0018 -0.0010 0.0010 6131 THR 74 CG2 -0.0013 0.0000 0.0013 6132 THR 74 H -0.0020 -0.0004 0.0021 6133 THR 74 HA -0.0014 -0.0002 0.0012 6134 THR 74 HB -0.0012 -0.0005 0.0006 6135 THR 74 HG1 -0.0017 -0.0009 0.0010 6136 THR 74 HG21 -0.0010 0.0004 0.0012 6137 THR 74 HG22 -0.0013 -0.0001 0.0012 6138 THR 74 HG23 -0.0015 0.0001 0.0018 6139 GLU 75 N -0.0023 -0.0015 0.0014 6140 GLU 75 CA -0.0026 -0.0021 0.0012 6141 GLU 75 C -0.0026 -0.0021 0.0012 6142 GLU 75 O -0.0026 -0.0024 0.0008 6143 GLU 75 CB -0.0031 -0.0024 0.0016 6144 GLU 75 CG -0.0031 -0.0027 0.0013 6145 GLU 75 CD -0.0036 -0.0032 0.0016 6146 GLU 75 OE1 -0.0038 -0.0030 0.0022 6147 GLU 75 OE2 -0.0038 -0.0037 0.0014 6148 GLU 75 H -0.0025 -0.0014 0.0018 6149 GLU 75 HA -0.0025 -0.0023 0.0007 6150 GLU 75 HB2 -0.0032 -0.0022 0.0020 6151 GLU 75 HB3 -0.0033 -0.0028 0.0016 6152 GLU 75 HG2 -0.0030 -0.0030 0.0009 6153 GLU 75 HG3 -0.0030 -0.0024 0.0014 6154 VAL 76 N -0.0027 -0.0017 0.0017 6155 VAL 76 CA -0.0027 -0.0016 0.0017 6156 VAL 76 C -0.0022 -0.0014 0.0013 6157 VAL 76 O -0.0021 -0.0016 0.0010 6158 VAL 76 CB -0.0028 -0.0013 0.0023 6159 VAL 76 CG1 -0.0033 -0.0016 0.0028 6160 VAL 76 CG2 -0.0025 -0.0007 0.0026 6161 VAL 76 H -0.0027 -0.0015 0.0020 6162 VAL 76 HA -0.0029 -0.0021 0.0017 6163 VAL 76 HB -0.0027 -0.0012 0.0023 6164 VAL 76 HG11 -0.0034 -0.0017 0.0028 6165 VAL 76 HG12 -0.0035 -0.0020 0.0026 6166 VAL 76 HG13 -0.0034 -0.0014 0.0032 6167 VAL 76 HG21 -0.0024 -0.0007 0.0023 6168 VAL 76 HG22 -0.0027 -0.0006 0.0030 6169 VAL 76 HG23 -0.0023 -0.0004 0.0025 6170 VAL 77 N -0.0019 -0.0009 0.0012 6171 VAL 77 CA -0.0014 -0.0007 0.0008 6172 VAL 77 C -0.0013 -0.0011 0.0002 6173 VAL 77 O -0.0011 -0.0011 -0.0002 6174 VAL 77 CB -0.0011 -0.0002 0.0008 6175 VAL 77 CG1 -0.0006 0.0001 0.0003 6176 VAL 77 CG2 -0.0012 0.0003 0.0014 6177 VAL 77 H -0.0019 -0.0008 0.0015 6178 VAL 77 HA -0.0013 -0.0005 0.0009 6179 VAL 77 HB -0.0011 -0.0003 0.0007 6180 VAL 77 HG11 -0.0005 -0.0002 -0.0001 6181 VAL 77 HG12 -0.0004 0.0005 0.0003 6182 VAL 77 HG13 -0.0005 0.0004 0.0005 6183 VAL 77 HG21 -0.0015 0.0001 0.0017 6184 VAL 77 HG22 -0.0012 0.0003 0.0016 6185 VAL 77 HG23 -0.0009 0.0007 0.0014 6186 GLU 78 N -0.0015 -0.0014 0.0000 6187 GLU 78 CA -0.0014 -0.0019 -0.0005 6188 GLU 78 C -0.0017 -0.0023 -0.0006 6189 GLU 78 O -0.0015 -0.0025 -0.0011 6190 GLU 78 CB -0.0016 -0.0022 -0.0006 6191 GLU 78 CG -0.0012 -0.0018 -0.0008 6192 GLU 78 CD -0.0014 -0.0022 -0.0009 6193 GLU 78 OE1 -0.0015 -0.0027 -0.0013 6194 GLU 78 OE2 -0.0013 -0.0019 -0.0007 6195 GLU 78 H -0.0016 -0.0014 0.0003 6196 GLU 78 HA -0.0011 -0.0017 -0.0009 6197 GLU 78 HB2 -0.0019 -0.0022 -0.0002 6198 GLU 78 HB3 -0.0016 -0.0026 -0.0009 6199 GLU 78 HG2 -0.0009 -0.0017 -0.0011 6200 GLU 78 HG3 -0.0012 -0.0015 -0.0004 6201 LEU 79 N -0.0016 -0.0035 -0.0000 6202 LEU 79 CA -0.0018 -0.0040 -0.0001 6203 LEU 79 C -0.0014 -0.0037 -0.0004 6204 LEU 79 O -0.0013 -0.0041 -0.0008 6205 LEU 79 CB -0.0023 -0.0040 0.0006 6206 LEU 79 CG -0.0027 -0.0048 0.0007 6207 LEU 79 CD1 -0.0025 -0.0052 0.0002 6208 LEU 79 CD2 -0.0028 -0.0051 0.0007 6209 LEU 79 H -0.0018 -0.0033 0.0004 6210 LEU 79 HA -0.0018 -0.0045 -0.0003 6211 LEU 79 HB2 -0.0024 -0.0038 0.0009 6212 LEU 79 HB3 -0.0022 -0.0038 0.0007 6213 LEU 79 HG -0.0030 -0.0047 0.0012 6214 LEU 79 HD11 -0.0024 -0.0049 0.0002 6215 LEU 79 HD12 -0.0028 -0.0057 0.0003 6216 LEU 79 HD13 -0.0022 -0.0053 -0.0002 6217 LEU 79 HD21 -0.0029 -0.0048 0.0010 6218 LEU 79 HD22 -0.0025 -0.0052 0.0002 6219 LEU 79 HD23 -0.0031 -0.0057 0.0008 6220 ILE 80 N -0.0012 -0.0030 -0.0002 6221 ILE 80 CA -0.0009 -0.0027 -0.0005 6222 ILE 80 C -0.0004 -0.0027 -0.0012 6223 ILE 80 O -0.0002 -0.0029 -0.0016 6224 ILE 80 CB -0.0008 -0.0019 -0.0002 6225 ILE 80 CG1 -0.0012 -0.0018 0.0005 6226 ILE 80 CG2 -0.0004 -0.0015 -0.0005 6227 ILE 80 CD1 -0.0013 -0.0012 0.0010 6228 ILE 80 H -0.0013 -0.0027 0.0001 6229 ILE 80 HA -0.0010 -0.0029 -0.0005 6230 ILE 80 HB -0.0008 -0.0016 -0.0001 6231 ILE 80 HG12 -0.0012 -0.0019 0.0004 6232 ILE 80 HG13 -0.0016 -0.0023 0.0006 6233 ILE 80 HG21 -0.0001 -0.0013 -0.0009 6234 ILE 80 HG22 -0.0004 -0.0010 -0.0002 6235 ILE 80 HG23 -0.0004 -0.0018 -0.0007 6236 ILE 80 HD11 -0.0016 -0.0012 0.0014 6237 ILE 80 HD12 -0.0010 -0.0007 0.0008 6238 ILE 80 HD13 -0.0014 -0.0012 0.0011 6239 LEU 81 N -0.0002 -0.0025 -0.0013 6240 LEU 81 CA 0.0002 -0.0025 -0.0020 6241 LEU 81 C 0.0002 -0.0033 -0.0024 6242 LEU 81 O 0.0005 -0.0034 -0.0029 6243 LEU 81 CB 0.0004 -0.0022 -0.0020 6244 LEU 81 CG 0.0004 -0.0014 -0.0016 6245 LEU 81 CD1 0.0005 -0.0013 -0.0016 6246 LEU 81 CD2 0.0009 -0.0009 -0.0019 6247 LEU 81 H -0.0004 -0.0023 -0.0010 6248 LEU 81 HA 0.0005 -0.0022 -0.0022 6249 LEU 81 HB2 0.0001 -0.0025 -0.0018 6250 LEU 81 HB3 0.0007 -0.0022 -0.0025 6251 LEU 81 HG 0.0001 -0.0014 -0.0012 6252 LEU 81 HD11 0.0002 -0.0016 -0.0013 6253 LEU 81 HD12 0.0005 -0.0007 -0.0013 6254 LEU 81 HD13 0.0008 -0.0013 -0.0020 6255 LEU 81 HD21 0.0012 -0.0010 -0.0024 6256 LEU 81 HD22 0.0009 -0.0004 -0.0017 6257 LEU 81 HD23 0.0008 -0.0010 -0.0019 6258 LYS 82 N -0.0002 -0.0038 -0.0021 6259 LYS 82 CA -0.0003 -0.0045 -0.0024 6260 LYS 82 C -0.0003 -0.0048 -0.0026 6261 LYS 82 O -0.0001 -0.0052 -0.0031 6262 LYS 82 CB -0.0009 -0.0049 -0.0019 6263 LYS 82 CG -0.0010 -0.0057 -0.0022 6264 LYS 82 CD -0.0015 -0.0061 -0.0017 6265 LYS 82 CE -0.0018 -0.0059 -0.0012 6266 LYS 82 NZ -0.0023 -0.0063 -0.0007 6267 LYS 82 H -0.0005 -0.0036 -0.0016 6268 LYS 82 HA -0.0001 -0.0046 -0.0027 6269 LYS 82 HB2 -0.0009 -0.0047 -0.0016 6270 LYS 82 HB3 -0.0011 -0.0049 -0.0016 6271 LYS 82 HG2 -0.0008 -0.0059 -0.0025 6272 LYS 82 HG3 -0.0009 -0.0057 -0.0024 6273 LYS 82 HD2 -0.0017 -0.0060 -0.0014 6274 LYS 82 HD3 -0.0016 -0.0067 -0.0019 6275 LYS 82 HE2 -0.0016 -0.0059 -0.0014 6276 LYS 82 HE3 -0.0017 -0.0053 -0.0010 6277 LYS 82 HZ1 -0.0024 -0.0068 -0.0009 6278 LYS 82 HZ2 -0.0024 -0.0064 -0.0005 6279 LYS 82 HZ3 -0.0025 -0.0061 -0.0004 6280 SER 83 N -0.0004 -0.0045 -0.0023 6281 SER 83 CA -0.0003 -0.0047 -0.0025 6282 SER 83 C 0.0002 -0.0045 -0.0031 6283 SER 83 O 0.0003 -0.0050 -0.0035 6284 SER 83 CB -0.0005 -0.0043 -0.0020 6285 SER 83 OG -0.0005 -0.0045 -0.0021 6286 SER 83 H -0.0005 -0.0042 -0.0019 6287 SER 83 HA -0.0006 -0.0052 -0.0025 6288 SER 83 HB2 -0.0009 -0.0044 -0.0015 6289 SER 83 HB3 -0.0003 -0.0037 -0.0020 6290 SER 83 HG -0.0002 -0.0041 -0.0022 6291 GLY 84 N 0.0005 -0.0039 -0.0032 6292 GLY 84 CA 0.0010 -0.0038 -0.0038 6293 GLY 84 C 0.0013 -0.0030 -0.0038 6294 GLY 84 O 0.0014 -0.0025 -0.0036 6295 GLY 84 H 0.0004 -0.0036 -0.0029 6296 GLY 84 HA2 0.0012 -0.0038 -0.0041 6297 GLY 84 HA3 0.0011 -0.0041 -0.0041 6298 ASN 85 N 0.0017 -0.0033 -0.0038 6299 ASN 85 CA 0.0020 -0.0025 -0.0039 6300 ASN 85 C 0.0017 -0.0023 -0.0035 6301 ASN 85 O 0.0019 -0.0017 -0.0036 6302 ASN 85 CB 0.0025 -0.0025 -0.0046 6303 ASN 85 CG 0.0025 -0.0032 -0.0049 6304 ASN 85 OD1 0.0024 -0.0031 -0.0048 6305 ASN 85 ND2 0.0025 -0.0038 -0.0051 6306 ASN 85 H 0.0017 -0.0037 -0.0040 6307 ASN 85 HA 0.0020 -0.0021 -0.0038 6308 ASN 85 HB2 0.0026 -0.0020 -0.0047 6309 ASN 85 HB3 0.0027 -0.0025 -0.0050 6310 ASN 85 HD21 0.0025 -0.0038 -0.0052 6311 ASN 85 HD22 0.0025 -0.0043 -0.0053 6312 LYS 86 N 0.0013 -0.0027 -0.0030 6313 LYS 86 CA 0.0010 -0.0026 -0.0026 6314 LYS 86 C 0.0005 -0.0031 -0.0020 6315 LYS 86 O 0.0004 -0.0035 -0.0020 6316 LYS 86 CB 0.0011 -0.0029 -0.0029 6317 LYS 86 CG 0.0012 -0.0037 -0.0032 6318 LYS 86 CD 0.0011 -0.0041 -0.0032 6319 LYS 86 CE 0.0011 -0.0050 -0.0035 6320 LYS 86 NZ 0.0008 -0.0054 -0.0032 6321 LYS 86 H 0.0012 -0.0032 -0.0030 6322 LYS 86 HA 0.0010 -0.0020 -0.0024 6323 LYS 86 HB2 0.0009 -0.0029 -0.0025 6324 LYS 86 HB3 0.0014 -0.0025 -0.0032 6325 LYS 86 HG2 0.0016 -0.0037 -0.0037 6326 LYS 86 HG3 0.0010 -0.0041 -0.0030 6327 LYS 86 HD2 0.0008 -0.0041 -0.0027 6328 LYS 86 HD3 0.0014 -0.0039 -0.0035 6329 LYS 86 HE2 0.0010 -0.0053 -0.0034 6330 LYS 86 HE3 0.0015 -0.0050 -0.0040 6331 LYS 86 HZ1 0.0009 -0.0052 -0.0032 6332 LYS 86 HZ2 0.0008 -0.0060 -0.0034 6333 LYS 86 HZ3 0.0005 -0.0054 -0.0027 6334 VAL 87 N 0.0002 -0.0029 -0.0015 6335 VAL 87 CA -0.0003 -0.0033 -0.0009 6336 VAL 87 C -0.0006 -0.0033 -0.0004 6337 VAL 87 O -0.0005 -0.0027 -0.0004 6338 VAL 87 CB -0.0005 -0.0030 -0.0005 6339 VAL 87 CG1 -0.0005 -0.0022 -0.0002 6340 VAL 87 CG2 -0.0010 -0.0035 0.0000 6341 VAL 87 H 0.0003 -0.0026 -0.0015 6342 VAL 87 HA -0.0003 -0.0039 -0.0010 6343 VAL 87 HB -0.0003 -0.0030 -0.0008 6344 VAL 87 HG11 -0.0002 -0.0018 -0.0006 6345 VAL 87 HG12 -0.0007 -0.0020 0.0001 6346 VAL 87 HG13 -0.0007 -0.0021 0.0001 6347 VAL 87 HG21 -0.0009 -0.0041 -0.0002 6348 VAL 87 HG22 -0.0012 -0.0036 0.0003 6349 VAL 87 HG23 -0.0011 -0.0032 0.0003 6350 ALA 88 N -0.0010 -0.0039 -0.0001 6351 ALA 88 CA -0.0013 -0.0039 0.0004 6352 ALA 88 C -0.0017 -0.0036 0.0011 6353 ALA 88 O -0.0020 -0.0041 0.0014 6354 ALA 88 CB -0.0015 -0.0048 0.0003 6355 ALA 88 H -0.0010 -0.0043 -0.0002 6356 ALA 88 HA -0.0011 -0.0036 0.0002 6357 ALA 88 HB1 -0.0016 -0.0051 0.0005 6358 ALA 88 HB2 -0.0012 -0.0050 -0.0002 6359 ALA 88 HB3 -0.0017 -0.0048 0.0007 6360 ILE 89 N -0.0017 -0.0029 0.0013 6361 ILE 89 CA -0.0021 -0.0026 0.0019 6362 ILE 89 C -0.0025 -0.0027 0.0024 6363 ILE 89 O -0.0024 -0.0024 0.0024 6364 ILE 89 CB -0.0019 -0.0017 0.0020 6365 ILE 89 CG1 -0.0023 -0.0014 0.0027 6366 ILE 89 CG2 -0.0017 -0.0012 0.0017 6367 ILE 89 CD1 -0.0022 -0.0006 0.0027 6368 ILE 89 H -0.0014 -0.0026 0.0010 6369 ILE 89 HA -0.0023 -0.0029 0.0021 6370 ILE 89 HB -0.0017 -0.0017 0.0017 6371 ILE 89 HG12 -0.0025 -0.0012 0.0029 6372 ILE 89 HG13 -0.0026 -0.0018 0.0029 6373 ILE 89 HG21 -0.0014 -0.0015 0.0012 6374 ILE 89 HG22 -0.0015 -0.0006 0.0017 6375 ILE 89 HG23 -0.0019 -0.0012 0.0020 6376 ILE 89 HD11 -0.0025 -0.0003 0.0032 6377 ILE 89 HD12 -0.0019 -0.0003 0.0024 6378 ILE 89 HD13 -0.0021 -0.0008 0.0026 6379 SER 90 N -0.0029 -0.0032 0.0029 6380 SER 90 CA -0.0032 -0.0034 0.0034 6381 SER 90 C -0.0035 -0.0028 0.0040 6382 SER 90 O -0.0038 -0.0028 0.0044 6383 SER 90 CB -0.0035 -0.0042 0.0035 6384 SER 90 OG -0.0036 -0.0046 0.0035 6385 SER 90 H -0.0029 -0.0034 0.0029 6386 SER 90 HA -0.0031 -0.0033 0.0031 6387 SER 90 HB2 -0.0033 -0.0045 0.0031 6388 SER 90 HB3 -0.0038 -0.0042 0.0040 6389 SER 90 HG -0.0034 -0.0043 0.0034 6390 THR 91 N -0.0026 -0.0003 0.0054 6391 THR 91 CA -0.0029 -0.0014 0.0036 6392 THR 91 C -0.0012 -0.0008 0.0019 6393 THR 91 O -0.0001 0.0003 0.0021 6394 THR 91 CB -0.0044 -0.0029 0.0030 6395 THR 91 OG1 -0.0041 -0.0027 0.0029 6396 THR 91 CG2 -0.0060 -0.0035 0.0046 6397 THR 91 H -0.0027 -0.0002 0.0056 6398 THR 91 HA -0.0031 -0.0015 0.0038 6399 THR 91 HB -0.0045 -0.0036 0.0016 6400 THR 91 HG1 -0.0040 -0.0033 0.0015 6401 THR 91 HG21 -0.0060 -0.0028 0.0060 6402 THR 91 HG22 -0.0062 -0.0036 0.0048 6403 THR 91 HG23 -0.0071 -0.0046 0.0042 6404 THR 92 N -0.0012 -0.0016 0.0001 6405 THR 92 CA 0.0003 -0.0012 -0.0016 6406 THR 92 C 0.0001 -0.0022 -0.0032 6407 THR 92 O -0.0007 -0.0034 -0.0044 6408 THR 92 CB 0.0009 -0.0011 -0.0024 6409 THR 92 OG1 0.0023 -0.0008 -0.0042 6410 THR 92 CG2 -0.0006 -0.0026 -0.0029 6411 THR 92 H -0.0022 -0.0025 -0.0000 6412 THR 92 HA 0.0013 -0.0000 -0.0010 6413 THR 92 HB 0.0013 -0.0003 -0.0013 6414 THR 92 HG1 0.0020 -0.0015 -0.0051 6415 THR 92 HG21 -0.0010 -0.0035 -0.0040 6416 THR 92 HG22 -0.0016 -0.0028 -0.0016 6417 THR 92 HG23 -0.0002 -0.0025 -0.0035 6418 PRO 93 N 0.0008 -0.0016 -0.0033 6419 PRO 93 CA 0.0006 -0.0025 -0.0048 6420 PRO 93 C 0.0013 -0.0030 -0.0069 6421 PRO 93 O 0.0021 -0.0025 -0.0073 6422 PRO 93 CB 0.0018 -0.0014 -0.0045 6423 PRO 93 CG 0.0018 -0.0003 -0.0024 6424 PRO 93 CD 0.0016 -0.0002 -0.0018 6425 PRO 93 HA -0.0006 -0.0034 -0.0045 6426 PRO 93 HB2 0.0031 -0.0008 -0.0055 6427 PRO 93 HB3 0.0013 -0.0019 -0.0049 6428 PRO 93 HG2 0.0030 0.0008 -0.0022 6429 PRO 93 HG3 0.0007 -0.0008 -0.0015 6430 PRO 93 HD2 0.0028 0.0007 -0.0020 6431 PRO 93 HD3 0.0008 -0.0002 -0.0003 6432 LEU 94 N 0.0009 -0.0040 -0.0083 6433 LEU 94 CA 0.0014 -0.0046 -0.0104 6434 LEU 94 C 0.0033 -0.0034 -0.0113 6435 LEU 94 O 0.0042 -0.0022 -0.0105 6436 LEU 94 CB 0.0006 -0.0058 -0.0116 6437 LEU 94 CG -0.0003 -0.0061 -0.0105 6438 LEU 94 CD1 0.0009 -0.0048 -0.0101 6439 LEU 94 CD2 -0.0015 -0.0076 -0.0116 6440 LEU 94 H 0.0003 -0.0043 -0.0079 6441 LEU 94 HA 0.0009 -0.0051 -0.0106 6442 LEU 94 HB2 0.0017 -0.0055 -0.0128 6443 LEU 94 HB3 -0.0002 -0.0068 -0.0123 6444 LEU 94 HG -0.0011 -0.0060 -0.0090 6445 LEU 94 HD11 0.0012 -0.0039 -0.0087 6446 LEU 94 HD12 0.0003 -0.0052 -0.0099 6447 LEU 94 HD13 0.0020 -0.0045 -0.0113 6448 LEU 94 HD21 -0.0024 -0.0084 -0.0117 6449 LEU 94 HD22 -0.0007 -0.0076 -0.0130 6450 LEU 94 HD23 -0.0022 -0.0077 -0.0107 6451 GLU 95 N 0.0039 -0.0036 -0.0129 6452 GLU 95 CA 0.0058 -0.0026 -0.0139 6453 GLU 95 C 0.0061 -0.0034 -0.0161 6454 GLU 95 O 0.0049 -0.0046 -0.0167 6455 GLU 95 CB 0.0066 -0.0013 -0.0127 6456 GLU 95 CG 0.0063 -0.0018 -0.0131 6457 GLU 95 CD 0.0044 -0.0029 -0.0122 6458 GLU 95 OE1 0.0040 -0.0024 -0.0104 6459 GLU 95 OE2 0.0034 -0.0042 -0.0132 6460 GLU 95 H 0.0032 -0.0046 -0.0135 6461 GLU 95 HA 0.0063 -0.0021 -0.0138 6462 GLU 95 HB2 0.0079 -0.0004 -0.0132 6463 GLU 95 HB3 0.0061 -0.0010 -0.0112 6464 GLU 95 HG2 0.0066 -0.0023 -0.0147 6465 GLU 95 HG3 0.0071 -0.0008 -0.0125 6466 ASN 96 N 0.0077 -0.0026 -0.0172 6467 ASN 96 CA 0.0082 -0.0032 -0.0193 6468 ASN 96 C 0.0084 -0.0031 -0.0196 6469 ASN 96 O 0.0084 -0.0024 -0.0181 6470 ASN 96 CB 0.0099 -0.0023 -0.0204 6471 ASN 96 CG 0.0113 -0.0006 -0.0195 6472 ASN 96 OD1 0.0121 -0.0001 -0.0199 6473 ASN 96 ND2 0.0115 0.0002 -0.0182 6474 ASN 96 OXT 0.0085 -0.0038 -0.0212 6475 ASN 96 H 0.0085 -0.0016 -0.0166 6476 ASN 96 HA 0.0072 -0.0043 -0.0199 6477 ASN 96 HB2 0.0103 -0.0027 -0.0219 6478 ASN 96 HB3 0.0097 -0.0024 -0.0204 6479 ASN 96 HD21 0.0108 -0.0003 -0.0179 6480 ASN 96 HD22 0.0125 0.0013 -0.0175 6481 SER 101 N 0.0018 -0.0026 0.0089 6482 SER 101 CA 0.0005 -0.0026 0.0092 6483 SER 101 C 0.0017 -0.0029 0.0093 6484 SER 101 O 0.0032 -0.0036 0.0100 6485 SER 101 CB -0.0009 -0.0033 0.0106 6486 SER 101 OG -0.0011 -0.0035 0.0110 6487 SER 101 H1 0.0027 -0.0034 0.0098 6488 SER 101 H2 0.0026 -0.0020 0.0079 6489 SER 101 H3 0.0010 -0.0025 0.0090 6490 SER 101 HA -0.0003 -0.0017 0.0081 6491 SER 101 HB2 -0.0004 -0.0041 0.0116 6492 SER 101 HB3 -0.0023 -0.0029 0.0104 6493 SER 101 HG -0.0024 -0.0032 0.0109 6494 TRP 102 N 0.0010 -0.0024 0.0088 6495 TRP 102 CA 0.0019 -0.0026 0.0089 6496 TRP 102 C 0.0037 -0.0021 0.0077 6497 TRP 102 O 0.0047 -0.0020 0.0073 6498 TRP 102 CB 0.0023 -0.0039 0.0106 6499 TRP 102 CG 0.0033 -0.0042 0.0107 6500 TRP 102 CD1 0.0052 -0.0046 0.0107 6501 TRP 102 CD2 0.0024 -0.0042 0.0110 6502 TRP 102 NE1 0.0056 -0.0048 0.0109 6503 TRP 102 CE2 0.0039 -0.0046 0.0111 6504 TRP 102 CE3 0.0005 -0.0040 0.0112 6505 TRP 102 CZ2 0.0035 -0.0047 0.0113 6506 TRP 102 CZ3 0.0002 -0.0041 0.0114 6507 TRP 102 CH2 0.0016 -0.0044 0.0115 6508 TRP 102 H -0.0002 -0.0018 0.0083 6509 TRP 102 HA 0.0009 -0.0022 0.0085 6510 TRP 102 HB2 0.0010 -0.0042 0.0113 6511 TRP 102 HB3 0.0032 -0.0043 0.0109 6512 TRP 102 HD1 0.0063 -0.0046 0.0105 6513 TRP 102 HE1 0.0068 -0.0050 0.0109 6514 TRP 102 HE3 -0.0006 -0.0037 0.0111 6515 TRP 102 HZ2 0.0046 -0.0049 0.0114 6516 TRP 102 HZ3 -0.0013 -0.0039 0.0115 6517 TRP 102 HH2 0.0013 -0.0045 0.0117 6518 GLU 103 N 0.0042 -0.0018 0.0072 6519 GLU 103 CA 0.0059 -0.0014 0.0061 6520 GLU 103 C 0.0064 -0.0015 0.0061 6521 GLU 103 O 0.0054 -0.0019 0.0069 6522 GLU 103 CB 0.0055 -0.0001 0.0044 6523 GLU 103 CG 0.0070 0.0002 0.0036 6524 GLU 103 CD 0.0089 0.0002 0.0030 6525 GLU 103 OE1 0.0100 -0.0008 0.0041 6526 GLU 103 OE2 0.0093 0.0011 0.0016 6527 GLU 103 H 0.0034 -0.0019 0.0075 6528 GLU 103 HA 0.0070 -0.0019 0.0064 6529 GLU 103 HB2 0.0042 0.0001 0.0044 6530 GLU 103 HB3 0.0055 0.0004 0.0037 6531 GLU 103 HG2 0.0073 -0.0005 0.0044 6532 GLU 103 HG3 0.0065 0.0010 0.0025 6533 SER 104 N 0.0080 -0.0013 0.0053 6534 SER 104 CA 0.0088 -0.0014 0.0052 6535 SER 104 C 0.0076 -0.0004 0.0043 6536 SER 104 O 0.0064 0.0004 0.0035 6537 SER 104 CB 0.0108 -0.0013 0.0046 6538 SER 104 OG 0.0112 -0.0004 0.0033 6539 SER 104 H 0.0088 -0.0010 0.0047 6540 SER 104 HA 0.0086 -0.0022 0.0064 6541 SER 104 HB2 0.0112 -0.0011 0.0041 6542 SER 104 HB3 0.0117 -0.0021 0.0055 6543 SER 104 HG 0.0110 -0.0007 0.0037 6544 HIS 105 N 0.0079 -0.0006 0.0043 6545 HIS 105 CA 0.0068 0.0003 0.0035 6546 HIS 105 C 0.0076 0.0014 0.0017 6547 HIS 105 O 0.0092 0.0014 0.0012 6548 HIS 105 CB 0.0071 -0.0002 0.0041 6549 HIS 105 CG 0.0052 -0.0001 0.0044 6550 HIS 105 ND1 0.0044 -0.0010 0.0059 6551 HIS 105 CD2 0.0041 0.0009 0.0033 6552 HIS 105 CE1 0.0028 -0.0006 0.0057 6553 HIS 105 NE2 0.0025 0.0006 0.0042 6554 HIS 105 H 0.0088 -0.0012 0.0050 6555 HIS 105 HA 0.0054 0.0004 0.0036 6556 HIS 105 HB2 0.0077 -0.0011 0.0052 6557 HIS 105 HB3 0.0080 0.0002 0.0032 6558 HIS 105 HD2 0.0043 0.0018 0.0021 6559 HIS 105 HE1 0.0018 -0.0011 0.0067 6560 HIS 105 HE2 0.0017 0.0010 0.0038 6561 LYS 106 N 0.0063 0.0023 0.0008 6562 LYS 106 CA 0.0067 0.0034 -0.0009 6563 LYS 106 C 0.0056 0.0042 -0.0018 6564 LYS 106 O 0.0051 0.0038 -0.0011 6565 LYS 106 CB 0.0062 0.0039 -0.0015 6566 LYS 106 CG 0.0079 0.0040 -0.0020 6567 LYS 106 CD 0.0089 0.0028 -0.0007 6568 LYS 106 CE 0.0106 0.0029 -0.0013 6569 LYS 106 NZ 0.0115 0.0018 0.0000 6570 LYS 106 H 0.0049 0.0022 0.0012 6571 LYS 106 HA 0.0082 0.0033 -0.0012 6572 LYS 106 HB2 0.0054 0.0034 -0.0005 6573 LYS 106 HB3 0.0053 0.0048 -0.0024 6574 LYS 106 HG2 0.0074 0.0045 -0.0027 6575 LYS 106 HG3 0.0089 0.0043 -0.0028 6576 LYS 106 HD2 0.0094 0.0023 -0.0001 6577 LYS 106 HD3 0.0079 0.0025 0.0001 6578 LYS 106 HE2 0.0101 0.0035 -0.0020 6579 LYS 106 HE3 0.0116 0.0032 -0.0020 6580 LYS 106 HZ1 0.0105 0.0016 0.0006 6581 LYS 106 HZ2 0.0118 0.0012 0.0008 6582 LYS 106 HZ3 0.0127 0.0019 -0.0004 6583 SER 107 N 0.0009 0.0028 0.0028 6584 SER 107 CA 0.0008 0.0028 0.0025 6585 SER 107 C 0.0006 0.0027 0.0024 6586 SER 107 O 0.0004 0.0024 0.0025 6587 SER 107 CB 0.0007 0.0027 0.0024 6588 SER 107 OG 0.0008 0.0028 0.0026 6589 SER 107 H 0.0009 0.0027 0.0030 6590 SER 107 HA 0.0009 0.0030 0.0024 6591 SER 107 HB2 0.0005 0.0026 0.0024 6592 SER 107 HB3 0.0007 0.0028 0.0022 6593 SER 107 HG 0.0007 0.0027 0.0026 6594 GLY 108 N 0.0006 0.0028 0.0022 6595 GLY 108 CA 0.0005 0.0026 0.0020 6596 GLY 108 C 0.0006 0.0028 0.0020 6597 GLY 108 O 0.0005 0.0028 0.0017 6598 GLY 108 H 0.0008 0.0029 0.0021 6599 GLY 108 HA2 0.0004 0.0026 0.0018 6600 GLY 108 HA3 0.0004 0.0025 0.0022 6601 GLY 109 N 0.0008 0.0029 0.0022 6602 GLY 109 CA 0.0009 0.0030 0.0022 6603 GLY 109 C 0.0008 0.0029 0.0023 6604 GLY 109 O 0.0006 0.0027 0.0024 6605 GLY 109 H 0.0008 0.0029 0.0024 6606 GLY 109 HA2 0.0010 0.0031 0.0023 6607 GLY 109 HA3 0.0009 0.0031 0.0019 6608 GLU 110 N 0.0008 0.0029 0.0021 6609 GLU 110 CA 0.0007 0.0028 0.0022 6610 GLU 110 C 0.0006 0.0028 0.0019 6611 GLU 110 O 0.0008 0.0030 0.0017 6612 GLU 110 CB 0.0009 0.0029 0.0024 6613 GLU 110 CG 0.0008 0.0028 0.0027 6614 GLU 110 CD 0.0006 0.0026 0.0028 6615 GLU 110 OE1 0.0007 0.0026 0.0028 6616 GLU 110 OE2 0.0004 0.0024 0.0027 6617 GLU 110 H 0.0009 0.0031 0.0020 6618 GLU 110 HA 0.0005 0.0026 0.0023 6619 GLU 110 HB2 0.0010 0.0031 0.0024 6620 GLU 110 HB3 0.0009 0.0029 0.0023 6621 GLU 110 HG2 0.0008 0.0027 0.0028 6622 GLU 110 HG3 0.0010 0.0029 0.0029 6623 THR 111 N 0.0004 0.0027 0.0018 6624 THR 111 CA 0.0003 0.0027 0.0015 6625 THR 111 C 0.0001 0.0025 0.0015 6626 THR 111 O -0.0001 0.0023 0.0015 6627 THR 111 CB 0.0002 0.0026 0.0012 6628 THR 111 OG1 0.0004 0.0028 0.0012 6629 THR 111 CG2 0.0002 0.0027 0.0009 6630 THR 111 H 0.0003 0.0025 0.0019 6631 THR 111 HA 0.0005 0.0028 0.0014 6632 THR 111 HB 0.0001 0.0025 0.0013 6633 THR 111 HG1 0.0005 0.0029 0.0014 6634 THR 111 HG21 0.0001 0.0027 0.0007 6635 THR 111 HG22 0.0003 0.0028 0.0009 6636 THR 111 HG23 0.0000 0.0025 0.0009 6637 ARG 112 N 0.0002 0.0025 0.0016 6638 ARG 112 CA 0.0001 0.0023 0.0017 6639 ARG 112 C -0.0001 0.0023 0.0014 6640 ARG 112 O 0.0000 0.0025 0.0012 6641 ARG 112 CB 0.0002 0.0024 0.0019 6642 ARG 112 CG 0.0003 0.0025 0.0018 6643 ARG 112 CD 0.0001 0.0023 0.0019 6644 ARG 112 NE 0.0002 0.0024 0.0019 6645 ARG 112 CZ 0.0001 0.0023 0.0018 6646 ARG 112 NH1 -0.0001 0.0022 0.0017 6647 ARG 112 NH2 0.0002 0.0024 0.0019 6648 ARG 112 H 0.0004 0.0026 0.0017 6649 ARG 112 HA -0.0001 0.0022 0.0018 6650 ARG 112 HB2 0.0001 0.0022 0.0021 6651 ARG 112 HB3 0.0003 0.0025 0.0021 6652 ARG 112 HG2 0.0004 0.0026 0.0019 6653 ARG 112 HG3 0.0002 0.0025 0.0016 6654 ARG 112 HD2 -0.0000 0.0022 0.0017 6655 ARG 112 HD3 0.0000 0.0022 0.0021 6656 ARG 112 HE 0.0004 0.0025 0.0020 6657 ARG 112 HH11 -0.0002 0.0021 0.0016 6658 ARG 112 HH12 -0.0002 0.0021 0.0016 6659 ARG 112 HH21 0.0004 0.0026 0.0020 6660 ARG 112 HH22 0.0001 0.0024 0.0018 6661 LEU 113 N -0.0001 0.0014 0.0009 6662 LEU 113 CA 0.0002 0.0012 0.0003 6663 LEU 113 C 0.0002 0.0014 0.0003 6664 LEU 113 O 0.0002 0.0010 0.0000 6665 LEU 113 CB -0.0000 0.0005 0.0000 6666 LEU 113 CG -0.0005 0.0001 0.0004 6667 LEU 113 CD1 -0.0007 0.0001 0.0008 6668 LEU 113 CD2 -0.0006 -0.0005 0.0001 6669 LEU 113 OXT 0.0003 0.0019 0.0006 6670 LEU 113 H -0.0004 0.0013 0.0012 6671 LEU 113 HA 0.0005 0.0015 0.0000 6672 LEU 113 HB2 0.0001 0.0004 -0.0003 6673 LEU 113 HB3 0.0001 0.0005 -0.0002 6674 LEU 113 HG -0.0006 0.0003 0.0007 6675 LEU 113 HD11 -0.0007 0.0006 0.0010 6676 LEU 113 HD12 -0.0011 -0.0002 0.0011 6677 LEU 113 HD13 -0.0006 -0.0000 0.0005 6678 LEU 113 HD21 -0.0006 -0.0007 -0.0002 6679 LEU 113 HD22 -0.0010 -0.0008 0.0004 6680 LEU 113 HD23 -0.0005 -0.0006 -0.0002 6681 GLY 1 N 0.0063 0.0003 -0.0218 6682 GLY 1 CA 0.0044 -0.0005 -0.0197 6683 GLY 1 C 0.0059 0.0003 -0.0186 6684 GLY 1 O 0.0059 0.0001 -0.0203 6685 GLY 1 H1 0.0072 0.0006 -0.0237 6686 GLY 1 H2 0.0050 -0.0003 -0.0228 6687 GLY 1 H3 0.0080 0.0011 -0.0205 6688 GLY 1 HA2 0.0024 -0.0015 -0.0211 6689 GLY 1 HA3 0.0037 -0.0007 -0.0176 6690 GLY 2 N 0.0074 0.0011 -0.0159 6691 GLY 2 CA 0.0090 0.0019 -0.0146 6692 GLY 2 C 0.0096 0.0023 -0.0110 6693 GLY 2 O 0.0090 0.0021 -0.0096 6694 GLY 2 H 0.0074 0.0011 -0.0147 6695 GLY 2 HA2 0.0111 0.0028 -0.0159 6696 GLY 2 HA3 0.0077 0.0013 -0.0150 6697 SER 3 N 0.0108 0.0029 -0.0095 6698 SER 3 CA 0.0115 0.0034 -0.0060 6699 SER 3 C 0.0111 0.0033 -0.0046 6700 SER 3 O 0.0108 0.0031 -0.0064 6701 SER 3 CB 0.0146 0.0049 -0.0055 6702 SER 3 OG 0.0149 0.0049 -0.0068 6703 SER 3 H 0.0113 0.0031 -0.0108 6704 SER 3 HA 0.0099 0.0027 -0.0048 6705 SER 3 HB2 0.0162 0.0055 -0.0068 6706 SER 3 HB3 0.0151 0.0052 -0.0029 6707 SER 3 HG 0.0132 0.0041 -0.0081 6708 MET 4 N 0.0112 0.0035 -0.0013 6709 MET 4 CA 0.0109 0.0034 0.0004 6710 MET 4 C 0.0080 0.0020 -0.0002 6711 MET 4 O 0.0078 0.0019 -0.0022 6712 MET 4 CB 0.0135 0.0046 -0.0005 6713 MET 4 CG 0.0160 0.0058 0.0020 6714 MET 4 SD 0.0189 0.0071 0.0010 6715 MET 4 CE 0.0168 0.0062 0.0004 6716 MET 4 H 0.0115 0.0037 -0.0001 6717 MET 4 HA 0.0110 0.0036 0.0030 6718 MET 4 HB2 0.0145 0.0049 -0.0028 6719 MET 4 HB3 0.0127 0.0042 -0.0008 6720 MET 4 HG2 0.0150 0.0055 0.0043 6721 MET 4 HG3 0.0169 0.0063 0.0022 6722 MET 4 HE1 0.0155 0.0056 0.0026 6723 MET 4 HE2 0.0154 0.0054 -0.0017 6724 MET 4 HE3 0.0184 0.0069 0.0001 6725 ARG 5 N 0.0056 0.0010 0.0014 6726 ARG 5 CA 0.0027 -0.0003 0.0010 6727 ARG 5 C 0.0025 -0.0003 0.0028 6728 ARG 5 O 0.0036 0.0003 0.0055 6729 ARG 5 CB 0.0003 -0.0014 0.0024 6730 ARG 5 CG -0.0001 -0.0016 0.0004 6731 ARG 5 CD 0.0021 -0.0006 0.0014 6732 ARG 5 NE 0.0018 -0.0008 -0.0004 6733 ARG 5 CZ 0.0036 0.0001 -0.0002 6734 ARG 5 NH1 0.0059 0.0012 0.0018 6735 ARG 5 NH2 0.0032 -0.0002 -0.0019 6736 ARG 5 H 0.0059 0.0012 0.0029 6737 ARG 5 HA 0.0023 -0.0006 -0.0016 6738 ARG 5 HB2 0.0008 -0.0010 0.0048 6739 ARG 5 HB3 -0.0018 -0.0024 0.0024 6740 ARG 5 HG2 -0.0023 -0.0026 0.0007 6741 ARG 5 HG3 0.0003 -0.0016 -0.0022 6742 ARG 5 HD2 0.0044 0.0004 0.0010 6743 ARG 5 HD3 0.0018 -0.0006 0.0040 6744 ARG 5 HE 0.0001 -0.0017 -0.0019 6745 ARG 5 HH11 0.0063 0.0014 0.0031 6746 ARG 5 HH12 0.0073 0.0019 0.0020 6747 ARG 5 HH21 0.0014 -0.0011 -0.0034 6748 ARG 5 HH22 0.0046 0.0004 -0.0017 6749 PRO 6 N 0.0012 -0.0010 0.0013 6750 PRO 6 CA 0.0009 -0.0011 0.0028 6751 PRO 6 C -0.0019 -0.0022 0.0049 6752 PRO 6 O -0.0043 -0.0034 0.0036 6753 PRO 6 CB 0.0008 -0.0013 -0.0003 6754 PRO 6 CG 0.0007 -0.0014 -0.0032 6755 PRO 6 CD -0.0002 -0.0018 -0.0019 6756 PRO 6 HA 0.0029 -0.0001 0.0041 6757 PRO 6 HB2 -0.0012 -0.0022 -0.0001 6758 PRO 6 HB3 0.0027 -0.0004 -0.0004 6759 PRO 6 HG2 -0.0009 -0.0023 -0.0049 6760 PRO 6 HG3 0.0029 -0.0005 -0.0043 6761 PRO 6 HD2 -0.0026 -0.0029 -0.0017 6762 PRO 6 HD3 0.0006 -0.0015 -0.0035 6763 PRO 7 N -0.0026 -0.0037 0.0021 6764 PRO 7 CA -0.0022 -0.0035 0.0018 6765 PRO 7 C -0.0017 -0.0030 0.0014 6766 PRO 7 O -0.0015 -0.0032 0.0010 6767 PRO 7 CB -0.0022 -0.0042 0.0014 6768 PRO 7 CG -0.0026 -0.0047 0.0016 6769 PRO 7 CD -0.0027 -0.0044 0.0019 6770 PRO 7 HA -0.0023 -0.0032 0.0020 6771 PRO 7 HB2 -0.0019 -0.0042 0.0010 6772 PRO 7 HB3 -0.0022 -0.0042 0.0014 6773 PRO 7 HG2 -0.0025 -0.0052 0.0013 6774 PRO 7 HG3 -0.0029 -0.0048 0.0020 6775 PRO 7 HD2 -0.0025 -0.0045 0.0016 6776 PRO 7 HD3 -0.0031 -0.0046 0.0023 6777 ILE 8 N -0.0016 -0.0024 0.0015 6778 ILE 8 CA -0.0011 -0.0019 0.0011 6779 ILE 8 C -0.0007 -0.0021 0.0006 6780 ILE 8 O -0.0007 -0.0020 0.0006 6781 ILE 8 CB -0.0011 -0.0012 0.0015 6782 ILE 8 CG1 -0.0016 -0.0012 0.0021 6783 ILE 8 CG2 -0.0007 -0.0007 0.0012 6784 ILE 8 CD1 -0.0017 -0.0007 0.0025 6785 ILE 8 H -0.0018 -0.0023 0.0017 6786 ILE 8 HA -0.0010 -0.0020 0.0010 6787 ILE 8 HB -0.0010 -0.0011 0.0014 6788 ILE 8 HG12 -0.0016 -0.0010 0.0022 6789 ILE 8 HG13 -0.0018 -0.0017 0.0022 6790 ILE 8 HG21 -0.0009 -0.0008 0.0014 6791 ILE 8 HG22 -0.0004 -0.0009 0.0008 6792 ILE 8 HG23 -0.0006 -0.0002 0.0014 6793 ILE 8 HD11 -0.0021 -0.0006 0.0029 6794 ILE 8 HD12 -0.0015 -0.0002 0.0024 6795 ILE 8 HD13 -0.0018 -0.0010 0.0025 6796 ILE 9 N -0.0004 -0.0023 0.0001 6797 ILE 9 CA -0.0000 -0.0025 -0.0005 6798 ILE 9 C 0.0004 -0.0019 -0.0007 6799 ILE 9 O 0.0007 -0.0016 -0.0009 6800 ILE 9 CB 0.0001 -0.0030 -0.0009 6801 ILE 9 CG1 -0.0003 -0.0035 -0.0007 6802 ILE 9 CG2 0.0004 -0.0034 -0.0014 6803 ILE 9 CD1 -0.0006 -0.0041 -0.0005 6804 ILE 9 H -0.0005 -0.0024 0.0001 6805 ILE 9 HA -0.0002 -0.0028 -0.0004 6806 ILE 9 HB 0.0004 -0.0027 -0.0011 6807 ILE 9 HG12 -0.0005 -0.0032 -0.0003 6808 ILE 9 HG13 -0.0001 -0.0037 -0.0010 6809 ILE 9 HG21 0.0007 -0.0030 -0.0016 6810 ILE 9 HG22 0.0005 -0.0037 -0.0017 6811 ILE 9 HG23 0.0001 -0.0037 -0.0012 6812 ILE 9 HD11 -0.0008 -0.0044 -0.0004 6813 ILE 9 HD12 -0.0008 -0.0039 -0.0002 6814 ILE 9 HD13 -0.0004 -0.0043 -0.0009 6815 ILE 10 N 0.0004 -0.0017 -0.0006 6816 ILE 10 CA 0.0008 -0.0011 -0.0008 6817 ILE 10 C 0.0012 -0.0013 -0.0014 6818 ILE 10 O 0.0012 -0.0019 -0.0017 6819 ILE 10 CB 0.0007 -0.0007 -0.0005 6820 ILE 10 CG1 0.0003 -0.0006 0.0001 6821 ILE 10 CG2 0.0011 -0.0001 -0.0007 6822 ILE 10 CD1 -0.0000 -0.0007 0.0004 6823 ILE 10 H 0.0001 -0.0019 -0.0004 6824 ILE 10 HA 0.0009 -0.0007 -0.0007 6825 ILE 10 HB 0.0007 -0.0011 -0.0007 6826 ILE 10 HG12 0.0004 -0.0000 0.0003 6827 ILE 10 HG13 0.0000 -0.0008 0.0003 6828 ILE 10 HG21 0.0010 0.0002 -0.0004 6829 ILE 10 HG22 0.0013 0.0002 -0.0008 6830 ILE 10 HG23 0.0014 -0.0002 -0.0012 6831 ILE 10 HD11 -0.0001 -0.0012 0.0002 6832 ILE 10 HD12 -0.0004 -0.0007 0.0008 6833 ILE 10 HD13 0.0002 -0.0004 0.0003 6834 HIS 11 N 0.0017 -0.0009 -0.0018 6835 HIS 11 CA 0.0021 -0.0010 -0.0024 6836 HIS 11 C 0.0024 -0.0005 -0.0025 6837 HIS 11 O 0.0026 0.0001 -0.0024 6838 HIS 11 CB 0.0023 -0.0011 -0.0027 6839 HIS 11 CG 0.0028 -0.0013 -0.0033 6840 HIS 11 ND1 0.0032 -0.0009 -0.0037 6841 HIS 11 CD2 0.0028 -0.0019 -0.0036 6842 HIS 11 CE1 0.0035 -0.0013 -0.0042 6843 HIS 11 NE2 0.0033 -0.0019 -0.0042 6844 HIS 11 H 0.0017 -0.0004 -0.0016 6845 HIS 11 HA 0.0020 -0.0015 -0.0025 6846 HIS 11 HB2 0.0021 -0.0014 -0.0025 6847 HIS 11 HB3 0.0025 -0.0006 -0.0026 6848 HIS 11 HD2 0.0025 -0.0023 -0.0035 6849 HIS 11 HE1 0.0039 -0.0011 -0.0046 6850 HIS 11 HE2 0.0034 -0.0022 -0.0045 6851 ARG 12 N 0.0025 -0.0007 -0.0027 6852 ARG 12 CA 0.0028 -0.0003 -0.0029 6853 ARG 12 C 0.0033 -0.0000 -0.0034 6854 ARG 12 O 0.0036 -0.0004 -0.0039 6855 ARG 12 CB 0.0028 -0.0007 -0.0030 6856 ARG 12 CG 0.0029 -0.0002 -0.0029 6857 ARG 12 CD 0.0027 -0.0006 -0.0029 6858 ARG 12 NE 0.0028 -0.0002 -0.0029 6859 ARG 12 CZ 0.0027 -0.0004 -0.0029 6860 ARG 12 NH1 0.0025 -0.0011 -0.0029 6861 ARG 12 NH2 0.0028 -0.0000 -0.0028 6862 ARG 12 H 0.0023 -0.0012 -0.0027 6863 ARG 12 HA 0.0027 0.0001 -0.0025 6864 ARG 12 HB2 0.0024 -0.0010 -0.0027 6865 ARG 12 HB3 0.0030 -0.0010 -0.0034 6866 ARG 12 HG2 0.0033 0.0000 -0.0033 6867 ARG 12 HG3 0.0027 0.0002 -0.0025 6868 ARG 12 HD2 0.0023 -0.0009 -0.0026 6869 ARG 12 HD3 0.0029 -0.0010 -0.0033 6870 ARG 12 HE 0.0030 0.0003 -0.0029 6871 ARG 12 HH11 0.0024 -0.0014 -0.0029 6872 ARG 12 HH12 0.0024 -0.0013 -0.0029 6873 ARG 12 HH21 0.0030 0.0005 -0.0028 6874 ARG 12 HH22 0.0028 -0.0002 -0.0028 6875 ALA 13 N 0.0038 0.0006 -0.0035 6876 ALA 13 CA 0.0044 0.0010 -0.0039 6877 ALA 13 C 0.0049 0.0012 -0.0043 6878 ALA 13 O 0.0053 0.0019 -0.0044 6879 ALA 13 CB 0.0044 0.0017 -0.0036 6880 ALA 13 H 0.0035 0.0009 -0.0030 6881 ALA 13 HA 0.0045 0.0006 -0.0043 6882 ALA 13 HB1 0.0049 0.0020 -0.0039 6883 ALA 13 HB2 0.0043 0.0021 -0.0032 6884 ALA 13 HB3 0.0041 0.0015 -0.0033 6885 GLY 14 N 0.0049 0.0007 -0.0046 6886 GLY 14 CA 0.0053 0.0008 -0.0050 6887 GLY 14 C 0.0052 0.0013 -0.0046 6888 GLY 14 O 0.0056 0.0016 -0.0048 6889 GLY 14 H 0.0046 0.0001 -0.0046 6890 GLY 14 HA2 0.0053 0.0002 -0.0053 6891 GLY 14 HA3 0.0058 0.0011 -0.0054 6892 LYS 15 N 0.0046 0.0014 -0.0039 6893 LYS 15 CA 0.0045 0.0019 -0.0035 6894 LYS 15 C 0.0038 0.0015 -0.0030 6895 LYS 15 O 0.0036 0.0010 -0.0031 6896 LYS 15 CB 0.0046 0.0028 -0.0031 6897 LYS 15 CG 0.0045 0.0028 -0.0030 6898 LYS 15 CD 0.0044 0.0036 -0.0025 6899 LYS 15 CE 0.0049 0.0044 -0.0025 6900 LYS 15 NZ 0.0047 0.0051 -0.0019 6901 LYS 15 H 0.0043 0.0012 -0.0038 6902 LYS 15 HA 0.0048 0.0020 -0.0038 6903 LYS 15 HB2 0.0042 0.0030 -0.0026 6904 LYS 15 HB3 0.0050 0.0032 -0.0034 6905 LYS 15 HG2 0.0050 0.0029 -0.0035 6906 LYS 15 HG3 0.0042 0.0023 -0.0029 6907 LYS 15 HD2 0.0044 0.0036 -0.0025 6908 LYS 15 HD3 0.0039 0.0035 -0.0020 6909 LYS 15 HE2 0.0048 0.0043 -0.0025 6910 LYS 15 HE3 0.0053 0.0045 -0.0030 6911 LYS 15 HZ1 0.0047 0.0052 -0.0019 6912 LYS 15 HZ2 0.0050 0.0056 -0.0020 6913 LYS 15 HZ3 0.0042 0.0050 -0.0015 6914 LYS 16 N 0.0033 0.0016 -0.0024 6915 LYS 16 CA 0.0026 0.0012 -0.0019 6916 LYS 16 C 0.0022 0.0011 -0.0015 6917 LYS 16 O 0.0025 0.0013 -0.0017 6918 LYS 16 CB 0.0025 0.0017 -0.0014 6919 LYS 16 CG 0.0028 0.0027 -0.0012 6920 LYS 16 CD 0.0029 0.0031 -0.0011 6921 LYS 16 CE 0.0032 0.0041 -0.0009 6922 LYS 16 NZ 0.0035 0.0045 -0.0010 6923 LYS 16 H 0.0034 0.0019 -0.0024 6924 LYS 16 HA 0.0026 0.0006 -0.0022 6925 LYS 16 HB2 0.0019 0.0016 -0.0010 6926 LYS 16 HB3 0.0026 0.0016 -0.0016 6927 LYS 16 HG2 0.0032 0.0028 -0.0016 6928 LYS 16 HG3 0.0025 0.0029 -0.0008 6929 LYS 16 HD2 0.0025 0.0030 -0.0008 6930 LYS 16 HD3 0.0033 0.0030 -0.0016 6931 LYS 16 HE2 0.0036 0.0042 -0.0013 6932 LYS 16 HE3 0.0028 0.0042 -0.0004 6933 LYS 16 HZ1 0.0037 0.0051 -0.0008 6934 LYS 16 HZ2 0.0039 0.0043 -0.0015 6935 LYS 16 HZ3 0.0032 0.0044 -0.0007 6936 TYR 17 N 0.0016 0.0008 -0.0010 6937 TYR 17 CA 0.0012 0.0006 -0.0006 6938 TYR 17 C 0.0010 0.0014 -0.0001 6939 TYR 17 O 0.0006 0.0014 0.0004 6940 TYR 17 CB 0.0006 -0.0001 -0.0004 6941 TYR 17 CG 0.0007 -0.0008 -0.0010 6942 TYR 17 CD1 0.0008 -0.0010 -0.0011 6943 TYR 17 CD2 0.0008 -0.0014 -0.0014 6944 TYR 17 CE1 0.0010 -0.0016 -0.0017 6945 TYR 17 CE2 0.0010 -0.0020 -0.0019 6946 TYR 17 CZ 0.0010 -0.0021 -0.0021 6947 TYR 17 OH 0.0012 -0.0028 -0.0026 6948 TYR 17 H 0.0014 0.0006 -0.0009 6949 TYR 17 HA 0.0014 0.0005 -0.0010 6950 TYR 17 HB2 0.0003 0.0000 -0.0000 6951 TYR 17 HB3 0.0003 -0.0003 -0.0002 6952 TYR 17 HD1 0.0007 -0.0005 -0.0008 6953 TYR 17 HD2 0.0008 -0.0013 -0.0013 6954 TYR 17 HE1 0.0010 -0.0017 -0.0018 6955 TYR 17 HE2 0.0010 -0.0025 -0.0022 6956 TYR 17 HH 0.0012 -0.0031 -0.0028 6957 GLY 18 N 0.0013 0.0020 -0.0000 6958 GLY 18 CA 0.0013 0.0028 0.0005 6959 GLY 18 C 0.0006 0.0029 0.0012 6960 GLY 18 O 0.0004 0.0032 0.0016 6961 GLY 18 H 0.0016 0.0020 -0.0004 6962 GLY 18 HA2 0.0016 0.0032 0.0004 6963 GLY 18 HA3 0.0015 0.0031 0.0004 6964 PHE 19 N -0.0013 0.0011 0.0020 6965 PHE 19 CA -0.0014 0.0010 0.0025 6966 PHE 19 C -0.0013 0.0011 0.0025 6967 PHE 19 O -0.0013 0.0011 0.0021 6968 PHE 19 CB -0.0018 0.0006 0.0027 6969 PHE 19 CG -0.0021 0.0002 0.0025 6970 PHE 19 CD1 -0.0021 0.0000 0.0019 6971 PHE 19 CD2 -0.0023 0.0000 0.0028 6972 PHE 19 CE1 -0.0024 -0.0003 0.0016 6973 PHE 19 CE2 -0.0025 -0.0003 0.0025 6974 PHE 19 CZ -0.0026 -0.0005 0.0020 6975 PHE 19 H -0.0012 0.0011 0.0016 6976 PHE 19 HA -0.0013 0.0013 0.0028 6977 PHE 19 HB2 -0.0019 0.0006 0.0032 6978 PHE 19 HB3 -0.0019 0.0005 0.0027 6979 PHE 19 HD1 -0.0020 0.0002 0.0016 6980 PHE 19 HD2 -0.0022 0.0002 0.0032 6981 PHE 19 HE1 -0.0024 -0.0005 0.0012 6982 PHE 19 HE2 -0.0027 -0.0005 0.0028 6983 PHE 19 HZ -0.0027 -0.0008 0.0018 6984 THR 20 N -0.0013 0.0013 0.0030 6985 THR 20 CA -0.0012 0.0014 0.0031 6986 THR 20 C -0.0015 0.0011 0.0034 6987 THR 20 O -0.0017 0.0009 0.0039 6988 THR 20 CB -0.0009 0.0019 0.0036 6989 THR 20 OG1 -0.0006 0.0022 0.0033 6990 THR 20 CG2 -0.0008 0.0020 0.0037 6991 THR 20 H -0.0013 0.0014 0.0034 6992 THR 20 HA -0.0011 0.0015 0.0027 6993 THR 20 HB -0.0010 0.0018 0.0040 6994 THR 20 HG1 -0.0006 0.0022 0.0033 6995 THR 20 HG21 -0.0007 0.0022 0.0033 6996 THR 20 HG22 -0.0011 0.0017 0.0038 6997 THR 20 HG23 -0.0007 0.0023 0.0041 6998 LEU 21 N -0.0016 0.0009 0.0031 6999 LEU 21 CA -0.0020 0.0005 0.0033 7000 LEU 21 C -0.0018 0.0007 0.0036 7001 LEU 21 O -0.0018 0.0008 0.0034 7002 LEU 21 CB -0.0021 0.0002 0.0028 7003 LEU 21 CG -0.0026 -0.0003 0.0029 7004 LEU 21 CD1 -0.0027 -0.0004 0.0034 7005 LEU 21 CD2 -0.0027 -0.0006 0.0024 7006 LEU 21 H -0.0015 0.0010 0.0027 7007 LEU 21 HA -0.0022 0.0003 0.0036 7008 LEU 21 HB2 -0.0021 0.0002 0.0024 7009 LEU 21 HB3 -0.0020 0.0003 0.0027 7010 LEU 21 HG -0.0027 -0.0004 0.0030 7011 LEU 21 HD11 -0.0030 -0.0008 0.0035 7012 LEU 21 HD12 -0.0026 -0.0003 0.0034 7013 LEU 21 HD13 -0.0026 -0.0002 0.0038 7014 LEU 21 HD21 -0.0030 -0.0010 0.0025 7015 LEU 21 HD22 -0.0026 -0.0006 0.0020 7016 LEU 21 HD23 -0.0027 -0.0006 0.0023 7017 ARG 22 N -0.0018 0.0009 0.0042 7018 ARG 22 CA -0.0017 0.0011 0.0046 7019 ARG 22 C -0.0020 0.0007 0.0047 7020 ARG 22 O -0.0023 0.0003 0.0048 7021 ARG 22 CB -0.0017 0.0013 0.0052 7022 ARG 22 CG -0.0014 0.0017 0.0055 7023 ARG 22 CD -0.0010 0.0021 0.0052 7024 ARG 22 NE -0.0007 0.0025 0.0056 7025 ARG 22 CZ -0.0004 0.0029 0.0054 7026 ARG 22 NH1 -0.0002 0.0030 0.0049 7027 ARG 22 NH2 -0.0002 0.0033 0.0058 7028 ARG 22 H -0.0019 0.0008 0.0044 7029 ARG 22 HA -0.0015 0.0014 0.0044 7030 ARG 22 HB2 -0.0016 0.0013 0.0051 7031 ARG 22 HB3 -0.0019 0.0010 0.0055 7032 ARG 22 HG2 -0.0014 0.0017 0.0059 7033 ARG 22 HG3 -0.0014 0.0016 0.0054 7034 ARG 22 HD2 -0.0009 0.0021 0.0048 7035 ARG 22 HD3 -0.0010 0.0021 0.0051 7036 ARG 22 HE -0.0008 0.0025 0.0060 7037 ARG 22 HH11 -0.0004 0.0028 0.0046 7038 ARG 22 HH12 0.0000 0.0033 0.0048 7039 ARG 22 HH21 -0.0003 0.0032 0.0062 7040 ARG 22 HH22 0.0001 0.0036 0.0057 7041 ALA 23 N -0.0019 0.0009 0.0047 7042 ALA 23 CA -0.0021 0.0006 0.0049 7043 ALA 23 C -0.0022 0.0007 0.0055 7044 ALA 23 O -0.0019 0.0011 0.0057 7045 ALA 23 CB -0.0020 0.0006 0.0044 7046 ALA 23 H -0.0016 0.0012 0.0047 7047 ALA 23 HA -0.0024 0.0002 0.0048 7048 ALA 23 HB1 -0.0018 0.0010 0.0044 7049 ALA 23 HB2 -0.0021 0.0005 0.0040 7050 ALA 23 HB3 -0.0022 0.0004 0.0045 7051 ILE 24 N -0.0025 0.0004 0.0057 7052 ILE 24 CA -0.0025 0.0004 0.0063 7053 ILE 24 C -0.0028 0.0001 0.0064 7054 ILE 24 O -0.0031 -0.0003 0.0062 7055 ILE 24 CB -0.0026 0.0004 0.0068 7056 ILE 24 CG1 -0.0029 0.0000 0.0066 7057 ILE 24 CG2 -0.0023 0.0009 0.0069 7058 ILE 24 CD1 -0.0030 -0.0001 0.0071 7059 ILE 24 H -0.0027 0.0001 0.0055 7060 ILE 24 HA -0.0023 0.0008 0.0064 7061 ILE 24 HB -0.0028 0.0003 0.0072 7062 ILE 24 HG12 -0.0027 0.0002 0.0062 7063 ILE 24 HG13 -0.0031 -0.0003 0.0064 7064 ILE 24 HG21 -0.0021 0.0011 0.0071 7065 ILE 24 HG22 -0.0024 0.0008 0.0073 7066 ILE 24 HG23 -0.0021 0.0010 0.0066 7067 ILE 24 HD11 -0.0032 -0.0003 0.0069 7068 ILE 24 HD12 -0.0028 0.0002 0.0072 7069 ILE 24 HD13 -0.0032 -0.0002 0.0074 7070 ARG 25 N 0.0005 -0.0021 0.0046 7071 ARG 25 CA 0.0004 -0.0003 0.0022 7072 ARG 25 C 0.0010 -0.0008 0.0022 7073 ARG 25 O 0.0032 -0.0020 0.0015 7074 ARG 25 CB 0.0024 -0.0001 -0.0003 7075 ARG 25 CG 0.0025 -0.0003 -0.0002 7076 ARG 25 CD 0.0034 0.0010 -0.0029 7077 ARG 25 NE 0.0057 0.0004 -0.0047 7078 ARG 25 CZ 0.0074 0.0005 -0.0068 7079 ARG 25 NH1 0.0072 0.0009 -0.0072 7080 ARG 25 NH2 0.0094 0.0000 -0.0084 7081 ARG 25 H 0.0021 -0.0035 0.0048 7082 ARG 25 HA -0.0015 0.0012 0.0022 7083 ARG 25 HB2 0.0042 -0.0014 -0.0005 7084 ARG 25 HB3 0.0019 0.0015 -0.0020 7085 ARG 25 HG2 0.0006 0.0004 0.0009 7086 ARG 25 HG3 0.0038 -0.0020 0.0008 7087 ARG 25 HD2 0.0019 0.0027 -0.0037 7088 ARG 25 HD3 0.0038 0.0005 -0.0028 7089 ARG 25 HE 0.0059 0.0000 -0.0044 7090 ARG 25 HH11 0.0058 0.0012 -0.0060 7091 ARG 25 HH12 0.0085 0.0010 -0.0088 7092 ARG 25 HH21 0.0096 -0.0003 -0.0081 7093 ARG 25 HH22 0.0107 0.0001 -0.0100 7094 VAL 26 N -0.0010 0.0002 0.0032 7095 VAL 26 CA -0.0007 -0.0002 0.0033 7096 VAL 26 C -0.0003 0.0014 0.0007 7097 VAL 26 O -0.0020 0.0034 -0.0003 7098 VAL 26 CB -0.0030 0.0002 0.0055 7099 VAL 26 CG1 -0.0030 -0.0018 0.0082 7100 VAL 26 CG2 -0.0055 0.0023 0.0053 7101 VAL 26 H -0.0027 0.0011 0.0038 7102 VAL 26 HA 0.0009 -0.0019 0.0038 7103 VAL 26 HB -0.0029 0.0002 0.0053 7104 VAL 26 HG11 -0.0049 -0.0013 0.0097 7105 VAL 26 HG12 -0.0026 -0.0022 0.0083 7106 VAL 26 HG13 -0.0017 -0.0032 0.0087 7107 VAL 26 HG21 -0.0054 0.0037 0.0033 7108 VAL 26 HG22 -0.0058 0.0022 0.0058 7109 VAL 26 HG23 -0.0070 0.0026 0.0066 7110 TYR 27 N 0.0019 0.0004 -0.0005 7111 TYR 27 CA 0.0026 0.0017 -0.0031 7112 TYR 27 C 0.0015 0.0023 -0.0026 7113 TYR 27 O 0.0021 0.0008 -0.0013 7114 TYR 27 CB 0.0054 0.0005 -0.0046 7115 TYR 27 CG 0.0065 0.0005 -0.0058 7116 TYR 27 CD1 0.0060 -0.0001 -0.0044 7117 TYR 27 CD2 0.0080 0.0012 -0.0085 7118 TYR 27 CE1 0.0070 -0.0001 -0.0055 7119 TYR 27 CE2 0.0090 0.0012 -0.0097 7120 TYR 27 CZ 0.0085 0.0005 -0.0081 7121 TYR 27 OH 0.0095 0.0006 -0.0093 7122 TYR 27 H 0.0032 -0.0012 0.0003 7123 TYR 27 HA 0.0017 0.0033 -0.0042 7124 TYR 27 HB2 0.0063 -0.0012 -0.0032 7125 TYR 27 HB3 0.0059 0.0012 -0.0061 7126 TYR 27 HD1 0.0048 -0.0006 -0.0023 7127 TYR 27 HD2 0.0085 0.0017 -0.0097 7128 TYR 27 HE1 0.0066 -0.0006 -0.0043 7129 TYR 27 HE2 0.0102 0.0017 -0.0117 7130 TYR 27 HH 0.0100 0.0015 -0.0112 7131 MET 28 N -0.0001 0.0044 -0.0038 7132 MET 28 CA -0.0012 0.0052 -0.0036 7133 MET 28 C 0.0005 0.0052 -0.0055 7134 MET 28 O 0.0005 0.0068 -0.0078 7135 MET 28 CB -0.0037 0.0075 -0.0039 7136 MET 28 CG -0.0057 0.0076 -0.0019 7137 MET 28 SD -0.0067 0.0060 0.0014 7138 MET 28 CE -0.0047 0.0035 0.0028 7139 MET 28 H -0.0004 0.0055 -0.0050 7140 MET 28 HA -0.0015 0.0040 -0.0016 7141 MET 28 HB2 -0.0035 0.0086 -0.0058 7142 MET 28 HB3 -0.0045 0.0080 -0.0038 7143 MET 28 HG2 -0.0049 0.0069 -0.0019 7144 MET 28 HG3 -0.0073 0.0093 -0.0024 7145 MET 28 HE1 -0.0052 0.0038 0.0028 7146 MET 28 HE2 -0.0028 0.0028 0.0015 7147 MET 28 HE3 -0.0050 0.0023 0.0047 7148 GLY 29 N 0.0020 0.0033 -0.0047 7149 GLY 29 CA 0.0038 0.0031 -0.0064 7150 GLY 29 C 0.0064 0.0020 -0.0077 7151 GLY 29 O 0.0072 0.0005 -0.0066 7152 GLY 29 H 0.0019 0.0021 -0.0029 7153 GLY 29 HA2 0.0039 0.0022 -0.0052 7154 GLY 29 HA3 0.0031 0.0048 -0.0079 7155 ASP 30 N 0.0077 0.0026 -0.0101 7156 ASP 30 CA 0.0103 0.0016 -0.0116 7157 ASP 30 C 0.0102 0.0031 -0.0136 7158 ASP 30 O 0.0121 0.0023 -0.0147 7159 ASP 30 CB 0.0120 0.0012 -0.0130 7160 ASP 30 CG 0.0147 -0.0000 -0.0144 7161 ASP 30 OD1 0.0159 -0.0020 -0.0130 7162 ASP 30 OD2 0.0156 0.0010 -0.0168 7163 ASP 30 H 0.0069 0.0038 -0.0109 7164 ASP 30 HA 0.0110 0.0000 -0.0102 7165 ASP 30 HB2 0.0119 0.0003 -0.0116 7166 ASP 30 HB3 0.0113 0.0028 -0.0145 7167 SER 31 N 0.0069 0.0019 -0.0178 7168 SER 31 CA 0.0067 0.0031 -0.0197 7169 SER 31 C 0.0068 0.0022 -0.0182 7170 SER 31 O 0.0068 0.0009 -0.0155 7171 SER 31 CB 0.0043 0.0058 -0.0204 7172 SER 31 OG 0.0035 0.0064 -0.0202 7173 SER 31 H 0.0055 0.0027 -0.0167 7174 SER 31 HA 0.0082 0.0027 -0.0217 7175 SER 31 HB2 0.0029 0.0063 -0.0188 7176 SER 31 HB3 0.0045 0.0067 -0.0226 7177 SER 31 HG 0.0018 0.0075 -0.0190 7178 ASP 32 N 0.0071 0.0029 -0.0199 7179 ASP 32 CA 0.0073 0.0021 -0.0188 7180 ASP 32 C 0.0048 0.0035 -0.0169 7181 ASP 32 O 0.0046 0.0032 -0.0161 7182 ASP 32 CB 0.0085 0.0023 -0.0214 7183 ASP 32 CG 0.0068 0.0047 -0.0230 7184 ASP 32 OD1 0.0055 0.0065 -0.0238 7185 ASP 32 OD2 0.0068 0.0050 -0.0235 7186 ASP 32 H 0.0071 0.0039 -0.0220 7187 ASP 32 HA 0.0084 0.0002 -0.0174 7188 ASP 32 HB2 0.0093 0.0011 -0.0206 7189 ASP 32 HB3 0.0100 0.0017 -0.0231 7190 VAL 33 N 0.0029 0.0049 -0.0161 7191 VAL 33 CA 0.0005 0.0062 -0.0143 7192 VAL 33 C 0.0003 0.0047 -0.0110 7193 VAL 33 O 0.0009 0.0034 -0.0098 7194 VAL 33 CB -0.0016 0.0084 -0.0147 7195 VAL 33 CG1 -0.0012 0.0077 -0.0141 7196 VAL 33 CG2 -0.0041 0.0097 -0.0125 7197 VAL 33 H 0.0031 0.0050 -0.0168 7198 VAL 33 HA 0.0002 0.0069 -0.0151 7199 VAL 33 HB -0.0017 0.0096 -0.0169 7200 VAL 33 HG11 -0.0026 0.0093 -0.0145 7201 VAL 33 HG12 -0.0012 0.0065 -0.0118 7202 VAL 33 HG13 0.0006 0.0068 -0.0157 7203 VAL 33 HG21 -0.0042 0.0085 -0.0102 7204 VAL 33 HG22 -0.0056 0.0113 -0.0130 7205 VAL 33 HG23 -0.0044 0.0101 -0.0129 7206 TYR 34 N -0.0006 0.0047 -0.0096 7207 TYR 34 CA -0.0008 0.0033 -0.0065 7208 TYR 34 C -0.0031 0.0047 -0.0049 7209 TYR 34 O -0.0039 0.0061 -0.0063 7210 TYR 34 CB 0.0015 0.0010 -0.0062 7211 TYR 34 CG 0.0019 0.0013 -0.0077 7212 TYR 34 CD1 0.0032 0.0017 -0.0107 7213 TYR 34 CD2 0.0010 0.0014 -0.0060 7214 TYR 34 CE1 0.0036 0.0020 -0.0120 7215 TYR 34 CE2 0.0014 0.0017 -0.0073 7216 TYR 34 CZ 0.0027 0.0020 -0.0103 7217 TYR 34 OH 0.0031 0.0023 -0.0117 7218 TYR 34 H -0.0010 0.0058 -0.0108 7219 TYR 34 HA -0.0009 0.0029 -0.0054 7220 TYR 34 HB2 0.0012 -0.0000 -0.0038 7221 TYR 34 HB3 0.0031 -0.0000 -0.0072 7222 TYR 34 HD1 0.0040 0.0016 -0.0120 7223 TYR 34 HD2 -0.0001 0.0011 -0.0036 7224 TYR 34 HE1 0.0047 0.0022 -0.0144 7225 TYR 34 HE2 0.0006 0.0017 -0.0060 7226 TYR 34 HH 0.0022 0.0040 -0.0131 7227 THR 35 N -0.0042 0.0042 -0.0020 7228 THR 35 CA -0.0064 0.0054 -0.0003 7229 THR 35 C -0.0058 0.0036 0.0019 7230 THR 35 O -0.0045 0.0016 0.0034 7231 THR 35 CB -0.0085 0.0065 0.0014 7232 THR 35 OG1 -0.0080 0.0066 0.0003 7233 THR 35 CG2 -0.0110 0.0090 0.0011 7234 THR 35 H -0.0036 0.0031 -0.0010 7235 THR 35 HA -0.0070 0.0068 -0.0018 7236 THR 35 HB -0.0087 0.0054 0.0038 7237 THR 35 HG1 -0.0070 0.0067 -0.0018 7238 THR 35 HG21 -0.0124 0.0097 0.0024 7239 THR 35 HG22 -0.0109 0.0101 -0.0012 7240 THR 35 HG23 -0.0114 0.0089 0.0020 7241 VAL 36 N -0.0066 0.0044 0.0021 7242 VAL 36 CA -0.0061 0.0028 0.0041 7243 VAL 36 C -0.0080 0.0029 0.0073 7244 VAL 36 O -0.0101 0.0047 0.0078 7245 VAL 36 CB -0.0061 0.0034 0.0030 7246 VAL 36 CG1 -0.0049 0.0014 0.0047 7247 VAL 36 CG2 -0.0047 0.0038 -0.0004 7248 VAL 36 H -0.0076 0.0060 0.0008 7249 VAL 36 HA -0.0043 0.0010 0.0042 7250 VAL 36 HB -0.0080 0.0050 0.0033 7251 VAL 36 HG11 -0.0049 0.0018 0.0039 7252 VAL 36 HG12 -0.0031 -0.0003 0.0044 7253 VAL 36 HG13 -0.0060 0.0011 0.0071 7254 VAL 36 HG21 -0.0055 0.0053 -0.0016 7255 VAL 36 HG22 -0.0028 0.0022 -0.0008 7256 VAL 36 HG23 -0.0048 0.0043 -0.0011 7257 HIS 37 N -0.0050 -0.0003 0.0054 7258 HIS 37 CA -0.0051 -0.0004 0.0053 7259 HIS 37 C -0.0047 -0.0000 0.0050 7260 HIS 37 O -0.0045 0.0004 0.0049 7261 HIS 37 CB -0.0052 -0.0006 0.0059 7262 HIS 37 CG -0.0056 -0.0010 0.0061 7263 HIS 37 ND1 -0.0059 -0.0015 0.0058 7264 HIS 37 CD2 -0.0057 -0.0011 0.0066 7265 HIS 37 CE1 -0.0062 -0.0018 0.0062 7266 HIS 37 NE2 -0.0061 -0.0016 0.0067 7267 HIS 37 H -0.0048 -0.0000 0.0056 7268 HIS 37 HA -0.0053 -0.0008 0.0050 7269 HIS 37 HB2 -0.0051 -0.0003 0.0062 7270 HIS 37 HB3 -0.0053 -0.0006 0.0058 7271 HIS 37 HD2 -0.0056 -0.0008 0.0070 7272 HIS 37 HE1 -0.0065 -0.0022 0.0061 7273 HIS 37 HE2 -0.0063 -0.0018 0.0070 7274 HIS 38 N -0.0048 -0.0001 0.0049 7275 HIS 38 CA -0.0045 0.0003 0.0046 7276 HIS 38 C -0.0045 0.0003 0.0049 7277 HIS 38 O -0.0048 -0.0001 0.0050 7278 HIS 38 CB -0.0044 0.0002 0.0039 7279 HIS 38 CG -0.0044 0.0003 0.0037 7280 HIS 38 ND1 -0.0041 0.0007 0.0037 7281 HIS 38 CD2 -0.0046 -0.0001 0.0034 7282 HIS 38 CE1 -0.0041 0.0006 0.0034 7283 HIS 38 NE2 -0.0044 0.0001 0.0032 7284 HIS 38 H -0.0050 -0.0004 0.0050 7285 HIS 38 HA -0.0042 0.0006 0.0048 7286 HIS 38 HB2 -0.0047 -0.0001 0.0038 7287 HIS 38 HB3 -0.0042 0.0005 0.0038 7288 HIS 38 HD2 -0.0049 -0.0005 0.0033 7289 HIS 38 HE1 -0.0039 0.0009 0.0033 7290 HIS 38 HE2 -0.0045 -0.0000 0.0031 7291 MET 39 N -0.0042 0.0007 0.0049 7292 MET 39 CA -0.0042 0.0007 0.0051 7293 MET 39 C -0.0039 0.0011 0.0048 7294 MET 39 O -0.0036 0.0014 0.0046 7295 MET 39 CB -0.0042 0.0008 0.0058 7296 MET 39 CG -0.0045 0.0005 0.0062 7297 MET 39 SD -0.0046 0.0005 0.0069 7298 MET 39 CE -0.0042 0.0011 0.0072 7299 MET 39 H -0.0040 0.0010 0.0047 7300 MET 39 HA -0.0045 0.0003 0.0050 7301 MET 39 HB2 -0.0039 0.0012 0.0059 7302 MET 39 HB3 -0.0042 0.0009 0.0059 7303 MET 39 HG2 -0.0047 0.0001 0.0060 7304 MET 39 HG3 -0.0044 0.0006 0.0063 7305 MET 39 HE1 -0.0042 0.0011 0.0077 7306 MET 39 HE2 -0.0039 0.0014 0.0069 7307 MET 39 HE3 -0.0041 0.0011 0.0073 7308 VAL 40 N -0.0040 0.0010 0.0047 7309 VAL 40 CA -0.0037 0.0013 0.0043 7310 VAL 40 C -0.0034 0.0017 0.0048 7311 VAL 40 O -0.0035 0.0017 0.0052 7312 VAL 40 CB -0.0039 0.0010 0.0041 7313 VAL 40 CG1 -0.0041 0.0008 0.0046 7314 VAL 40 CG2 -0.0036 0.0014 0.0038 7315 VAL 40 H -0.0042 0.0006 0.0048 7316 VAL 40 HA -0.0036 0.0014 0.0040 7317 VAL 40 HB -0.0040 0.0007 0.0037 7318 VAL 40 HG11 -0.0040 0.0010 0.0050 7319 VAL 40 HG12 -0.0044 0.0005 0.0047 7320 VAL 40 HG13 -0.0042 0.0006 0.0044 7321 VAL 40 HG21 -0.0035 0.0016 0.0042 7322 VAL 40 HG22 -0.0037 0.0012 0.0035 7323 VAL 40 HG23 -0.0034 0.0016 0.0036 7324 TRP 41 N -0.0031 0.0021 0.0047 7325 TRP 41 CA -0.0028 0.0026 0.0050 7326 TRP 41 C -0.0026 0.0028 0.0049 7327 TRP 41 O -0.0025 0.0030 0.0053 7328 TRP 41 CB -0.0025 0.0030 0.0049 7329 TRP 41 CG -0.0023 0.0033 0.0054 7330 TRP 41 CD1 -0.0020 0.0038 0.0054 7331 TRP 41 CD2 -0.0025 0.0032 0.0060 7332 TRP 41 NE1 -0.0019 0.0040 0.0059 7333 TRP 41 CE2 -0.0022 0.0036 0.0063 7334 TRP 41 CE3 -0.0028 0.0028 0.0063 7335 TRP 41 CZ2 -0.0022 0.0037 0.0069 7336 TRP 41 CZ3 -0.0029 0.0028 0.0069 7337 TRP 41 CH2 -0.0026 0.0032 0.0072 7338 TRP 41 H -0.0031 0.0021 0.0043 7339 TRP 41 HA -0.0029 0.0025 0.0055 7340 TRP 41 HB2 -0.0027 0.0027 0.0047 7341 TRP 41 HB3 -0.0023 0.0032 0.0045 7342 TRP 41 HD1 -0.0018 0.0040 0.0050 7343 TRP 41 HE1 -0.0016 0.0044 0.0060 7344 TRP 41 HE3 -0.0031 0.0024 0.0061 7345 TRP 41 HZ2 -0.0020 0.0040 0.0072 7346 TRP 41 HZ3 -0.0032 0.0024 0.0072 7347 TRP 41 HH2 -0.0026 0.0032 0.0077 7348 HIS 42 N -0.0026 0.0028 0.0044 7349 HIS 42 CA -0.0024 0.0030 0.0042 7350 HIS 42 C -0.0025 0.0028 0.0036 7351 HIS 42 O -0.0025 0.0027 0.0031 7352 HIS 42 CB -0.0020 0.0036 0.0041 7353 HIS 42 CG -0.0018 0.0039 0.0041 7354 HIS 42 ND1 -0.0016 0.0042 0.0047 7355 HIS 42 CD2 -0.0017 0.0039 0.0038 7356 HIS 42 CE1 -0.0014 0.0044 0.0046 7357 HIS 42 NE2 -0.0015 0.0043 0.0040 7358 HIS 42 H -0.0027 0.0026 0.0040 7359 HIS 42 HA -0.0025 0.0030 0.0045 7360 HIS 42 HB2 -0.0019 0.0037 0.0044 7361 HIS 42 HB3 -0.0019 0.0036 0.0036 7362 HIS 42 HD2 -0.0018 0.0038 0.0033 7363 HIS 42 HE1 -0.0013 0.0046 0.0049 7364 HIS 42 HE2 -0.0013 0.0044 0.0038 7365 VAL 43 N -0.0019 0.0040 0.0030 7366 VAL 43 CA -0.0013 0.0036 0.0025 7367 VAL 43 C -0.0006 0.0043 0.0022 7368 VAL 43 O -0.0007 0.0051 0.0024 7369 VAL 43 CB -0.0016 0.0031 0.0025 7370 VAL 43 CG1 -0.0020 0.0037 0.0030 7371 VAL 43 CG2 -0.0010 0.0027 0.0020 7372 VAL 43 H -0.0021 0.0045 0.0033 7373 VAL 43 HA -0.0011 0.0031 0.0022 7374 VAL 43 HB -0.0021 0.0025 0.0027 7375 VAL 43 HG11 -0.0026 0.0039 0.0034 7376 VAL 43 HG12 -0.0022 0.0034 0.0030 7377 VAL 43 HG13 -0.0016 0.0044 0.0029 7378 VAL 43 HG21 -0.0007 0.0022 0.0016 7379 VAL 43 HG22 -0.0005 0.0033 0.0018 7380 VAL 43 HG23 -0.0012 0.0023 0.0020 7381 GLU 44 N 0.0001 0.0041 0.0016 7382 GLU 44 CA 0.0008 0.0048 0.0013 7383 GLU 44 C 0.0011 0.0049 0.0011 7384 GLU 44 O 0.0012 0.0042 0.0008 7385 GLU 44 CB 0.0015 0.0044 0.0007 7386 GLU 44 CG 0.0013 0.0044 0.0008 7387 GLU 44 CD 0.0019 0.0040 0.0003 7388 GLU 44 OE1 0.0019 0.0031 0.0001 7389 GLU 44 OE2 0.0025 0.0045 0.0001 7390 GLU 44 H 0.0001 0.0035 0.0014 7391 GLU 44 HA 0.0008 0.0054 0.0015 7392 GLU 44 HB2 0.0015 0.0036 0.0005 7393 GLU 44 HB3 0.0020 0.0048 0.0004 7394 GLU 44 HG2 0.0014 0.0052 0.0010 7395 GLU 44 HG3 0.0007 0.0041 0.0012 7396 ASP 45 N 0.0012 0.0057 0.0013 7397 ASP 45 CA 0.0014 0.0059 0.0012 7398 ASP 45 C 0.0023 0.0061 0.0006 7399 ASP 45 O 0.0027 0.0065 0.0005 7400 ASP 45 CB 0.0011 0.0068 0.0017 7401 ASP 45 CG 0.0014 0.0077 0.0018 7402 ASP 45 OD1 0.0013 0.0076 0.0018 7403 ASP 45 OD2 0.0017 0.0084 0.0018 7404 ASP 45 H 0.0011 0.0062 0.0016 7405 ASP 45 HA 0.0012 0.0053 0.0012 7406 ASP 45 HB2 0.0013 0.0069 0.0016 7407 ASP 45 HB3 0.0005 0.0066 0.0021 7408 GLY 46 N 0.0027 0.0057 0.0002 7409 GLY 46 CA 0.0036 0.0058 -0.0003 7410 GLY 46 C 0.0039 0.0051 -0.0008 7411 GLY 46 O 0.0046 0.0052 -0.0012 7412 GLY 46 H 0.0024 0.0053 0.0003 7413 GLY 46 HA2 0.0038 0.0065 -0.0003 7414 GLY 46 HA3 0.0038 0.0056 -0.0005 7415 GLY 47 N 0.0034 0.0043 -0.0006 7416 GLY 47 CA 0.0036 0.0036 -0.0010 7417 GLY 47 C 0.0031 0.0027 -0.0009 7418 GLY 47 O 0.0029 0.0024 -0.0008 7419 GLY 47 H 0.0028 0.0042 -0.0003 7420 GLY 47 HA2 0.0037 0.0039 -0.0010 7421 GLY 47 HA3 0.0042 0.0035 -0.0015 7422 PRO 48 N 0.0028 0.0022 -0.0008 7423 PRO 48 CA 0.0023 0.0013 -0.0007 7424 PRO 48 C 0.0015 0.0013 -0.0002 7425 PRO 48 O 0.0014 0.0015 -0.0001 7426 PRO 48 CB 0.0021 0.0012 -0.0007 7427 PRO 48 CG 0.0028 0.0017 -0.0010 7428 PRO 48 CD 0.0030 0.0025 -0.0009 7429 PRO 48 HA 0.0026 0.0008 -0.0011 7430 PRO 48 HB2 0.0016 0.0015 -0.0002 7431 PRO 48 HB3 0.0020 0.0004 -0.0008 7432 PRO 48 HG2 0.0027 0.0018 -0.0009 7433 PRO 48 HG3 0.0033 0.0012 -0.0015 7434 PRO 48 HD2 0.0027 0.0031 -0.0005 7435 PRO 48 HD3 0.0037 0.0028 -0.0013 7436 ALA 49 N 0.0010 0.0009 0.0003 7437 ALA 49 CA 0.0003 0.0008 0.0008 7438 ALA 49 C 0.0001 0.0015 0.0010 7439 ALA 49 O -0.0001 0.0014 0.0012 7440 ALA 49 CB -0.0003 0.0005 0.0011 7441 ALA 49 H 0.0010 0.0008 0.0003 7442 ALA 49 HA 0.0003 0.0002 0.0007 7443 ALA 49 HB1 -0.0006 -0.0001 0.0012 7444 ALA 49 HB2 -0.0007 0.0010 0.0015 7445 ALA 49 HB3 -0.0001 0.0005 0.0010 7446 SER 50 N 0.0003 0.0023 0.0010 7447 SER 50 CA 0.0001 0.0030 0.0012 7448 SER 50 C 0.0005 0.0031 0.0010 7449 SER 50 O 0.0001 0.0030 0.0012 7450 SER 50 CB 0.0003 0.0038 0.0012 7451 SER 50 OG -0.0003 0.0042 0.0017 7452 SER 50 H 0.0005 0.0024 0.0009 7453 SER 50 HA -0.0005 0.0030 0.0016 7454 SER 50 HB2 0.0007 0.0037 0.0010 7455 SER 50 HB3 0.0005 0.0043 0.0011 7456 SER 50 HG -0.0007 0.0042 0.0020 7457 GLU 51 N 0.0012 0.0031 0.0005 7458 GLU 51 CA 0.0016 0.0032 0.0003 7459 GLU 51 C 0.0014 0.0024 0.0002 7460 GLU 51 O 0.0014 0.0025 0.0002 7461 GLU 51 CB 0.0024 0.0034 -0.0003 7462 GLU 51 CG 0.0026 0.0042 -0.0003 7463 GLU 51 CD 0.0027 0.0049 -0.0003 7464 GLU 51 OE1 0.0022 0.0052 0.0001 7465 GLU 51 OE2 0.0034 0.0052 -0.0007 7466 GLU 51 H 0.0014 0.0031 0.0004 7467 GLU 51 HA 0.0014 0.0038 0.0005 7468 GLU 51 HB2 0.0025 0.0029 -0.0004 7469 GLU 51 HB3 0.0026 0.0033 -0.0005 7470 GLU 51 HG2 0.0021 0.0044 0.0000 7471 GLU 51 HG3 0.0030 0.0042 -0.0006 7472 ALA 52 N 0.0013 0.0017 0.0002 7473 ALA 52 CA 0.0011 0.0009 0.0002 7474 ALA 52 C 0.0004 0.0009 0.0007 7475 ALA 52 O 0.0004 0.0005 0.0007 7476 ALA 52 CB 0.0010 0.0002 0.0002 7477 ALA 52 H 0.0013 0.0017 0.0002 7478 ALA 52 HA 0.0015 0.0008 -0.0001 7479 ALA 52 HB1 0.0008 -0.0004 0.0002 7480 ALA 52 HB2 0.0006 0.0004 0.0005 7481 ALA 52 HB3 0.0015 0.0001 -0.0002 7482 GLY 53 N -0.0000 0.0015 0.0011 7483 GLY 53 CA -0.0007 0.0015 0.0016 7484 GLY 53 C -0.0013 0.0016 0.0020 7485 GLY 53 O -0.0019 0.0018 0.0024 7486 GLY 53 H 0.0001 0.0018 0.0011 7487 GLY 53 HA2 -0.0006 0.0021 0.0016 7488 GLY 53 HA3 -0.0007 0.0010 0.0015 7489 LEU 54 N -0.0013 0.0013 0.0019 7490 LEU 54 CA -0.0019 0.0013 0.0023 7491 LEU 54 C -0.0021 0.0022 0.0026 7492 LEU 54 O -0.0017 0.0027 0.0024 7493 LEU 54 CB -0.0017 0.0009 0.0022 7494 LEU 54 CG -0.0023 0.0004 0.0025 7495 LEU 54 CD1 -0.0021 0.0000 0.0023 7496 LEU 54 CD2 -0.0030 0.0009 0.0030 7497 LEU 54 H -0.0008 0.0012 0.0016 7498 LEU 54 HA -0.0023 0.0009 0.0026 7499 LEU 54 HB2 -0.0013 0.0004 0.0018 7500 LEU 54 HB3 -0.0015 0.0013 0.0021 7501 LEU 54 HG -0.0025 -0.0002 0.0026 7502 LEU 54 HD11 -0.0018 -0.0004 0.0020 7503 LEU 54 HD12 -0.0026 -0.0003 0.0026 7504 LEU 54 HD13 -0.0019 0.0005 0.0023 7505 LEU 54 HD21 -0.0028 0.0014 0.0030 7506 LEU 54 HD22 -0.0034 0.0005 0.0033 7507 LEU 54 HD23 -0.0031 0.0011 0.0032 7508 ARG 55 N -0.0029 0.0011 0.0004 7509 ARG 55 CA -0.0032 0.0017 0.0004 7510 ARG 55 C -0.0036 0.0019 0.0009 7511 ARG 55 O -0.0038 0.0015 0.0014 7512 ARG 55 CB -0.0032 0.0016 0.0005 7513 ARG 55 CG -0.0033 0.0011 0.0010 7514 ARG 55 CD -0.0038 0.0014 0.0015 7515 ARG 55 NE -0.0038 0.0017 0.0014 7516 ARG 55 CZ -0.0042 0.0022 0.0014 7517 ARG 55 NH1 -0.0044 0.0026 0.0015 7518 ARG 55 NH2 -0.0042 0.0024 0.0013 7519 ARG 55 H -0.0028 0.0007 0.0006 7520 ARG 55 HA -0.0031 0.0020 0.0000 7521 ARG 55 HB2 -0.0035 0.0021 0.0005 7522 ARG 55 HB3 -0.0029 0.0015 0.0001 7523 ARG 55 HG2 -0.0031 0.0009 0.0009 7524 ARG 55 HG3 -0.0033 0.0008 0.0012 7525 ARG 55 HD2 -0.0039 0.0011 0.0019 7526 ARG 55 HD3 -0.0040 0.0018 0.0015 7527 ARG 55 HE -0.0036 0.0014 0.0012 7528 ARG 55 HH11 -0.0044 0.0025 0.0016 7529 ARG 55 HH12 -0.0047 0.0030 0.0016 7530 ARG 55 HH21 -0.0040 0.0022 0.0012 7531 ARG 55 HH22 -0.0044 0.0029 0.0013 7532 GLN 56 N -0.0039 0.0024 0.0008 7533 GLN 56 CA -0.0043 0.0026 0.0013 7534 GLN 56 C -0.0046 0.0026 0.0018 7535 GLN 56 O -0.0046 0.0027 0.0017 7536 GLN 56 CB -0.0045 0.0033 0.0010 7537 GLN 56 CG -0.0049 0.0036 0.0014 7538 GLN 56 CD -0.0050 0.0042 0.0011 7539 GLN 56 OE1 -0.0047 0.0043 0.0006 7540 GLN 56 NE2 -0.0054 0.0046 0.0015 7541 GLN 56 H -0.0037 0.0027 0.0004 7542 GLN 56 HA -0.0042 0.0024 0.0014 7543 GLN 56 HB2 -0.0042 0.0034 0.0007 7544 GLN 56 HB3 -0.0046 0.0036 0.0010 7545 GLN 56 HG2 -0.0051 0.0036 0.0018 7546 GLN 56 HG3 -0.0048 0.0032 0.0016 7547 GLN 56 HE21 -0.0056 0.0044 0.0019 7548 GLN 56 HE22 -0.0055 0.0050 0.0013 7549 GLY 57 N -0.0048 0.0024 0.0023 7550 GLY 57 CA -0.0051 0.0023 0.0028 7551 GLY 57 C -0.0049 0.0017 0.0030 7552 GLY 57 O -0.0051 0.0015 0.0034 7553 GLY 57 H -0.0048 0.0023 0.0023 7554 GLY 57 HA2 -0.0054 0.0024 0.0031 7555 GLY 57 HA3 -0.0052 0.0026 0.0027 7556 ASP 58 N -0.0046 0.0013 0.0027 7557 ASP 58 CA -0.0043 0.0006 0.0029 7558 ASP 58 C -0.0045 0.0003 0.0034 7559 ASP 58 O -0.0046 0.0004 0.0034 7560 ASP 58 CB -0.0039 0.0004 0.0024 7561 ASP 58 CG -0.0036 -0.0001 0.0024 7562 ASP 58 OD1 -0.0038 -0.0004 0.0028 7563 ASP 58 OD2 -0.0033 -0.0002 0.0019 7564 ASP 58 H -0.0044 0.0014 0.0024 7565 ASP 58 HA -0.0044 0.0006 0.0030 7566 ASP 58 HB2 -0.0038 0.0007 0.0020 7567 ASP 58 HB3 -0.0037 0.0001 0.0024 7568 LEU 59 N -0.0045 -0.0002 0.0037 7569 LEU 59 CA -0.0046 -0.0006 0.0042 7570 LEU 59 C -0.0042 -0.0012 0.0040 7571 LEU 59 O -0.0039 -0.0015 0.0038 7572 LEU 59 CB -0.0049 -0.0008 0.0047 7573 LEU 59 CG -0.0049 -0.0013 0.0052 7574 LEU 59 CD1 -0.0052 -0.0011 0.0056 7575 LEU 59 CD2 -0.0050 -0.0016 0.0056 7576 LEU 59 H -0.0044 -0.0003 0.0037 7577 LEU 59 HA -0.0048 -0.0004 0.0043 7578 LEU 59 HB2 -0.0052 -0.0004 0.0049 7579 LEU 59 HB3 -0.0047 -0.0009 0.0046 7580 LEU 59 HG -0.0046 -0.0017 0.0050 7581 LEU 59 HD11 -0.0051 -0.0010 0.0053 7582 LEU 59 HD12 -0.0053 -0.0015 0.0059 7583 LEU 59 HD13 -0.0055 -0.0008 0.0057 7584 LEU 59 HD21 -0.0050 -0.0020 0.0059 7585 LEU 59 HD22 -0.0047 -0.0018 0.0053 7586 LEU 59 HD23 -0.0053 -0.0013 0.0057 7587 ILE 60 N -0.0042 -0.0013 0.0041 7588 ILE 60 CA -0.0038 -0.0018 0.0040 7589 ILE 60 C -0.0039 -0.0024 0.0045 7590 ILE 60 O -0.0042 -0.0024 0.0050 7591 ILE 60 CB -0.0038 -0.0017 0.0039 7592 ILE 60 CG1 -0.0037 -0.0012 0.0033 7593 ILE 60 CG2 -0.0034 -0.0023 0.0038 7594 ILE 60 CD1 -0.0041 -0.0006 0.0034 7595 ILE 60 H -0.0044 -0.0011 0.0043 7596 ILE 60 HA -0.0035 -0.0019 0.0036 7597 ILE 60 HB -0.0041 -0.0016 0.0042 7598 ILE 60 HG12 -0.0036 -0.0013 0.0032 7599 ILE 60 HG13 -0.0034 -0.0013 0.0030 7600 ILE 60 HG21 -0.0034 -0.0022 0.0037 7601 ILE 60 HG22 -0.0031 -0.0025 0.0035 7602 ILE 60 HG23 -0.0035 -0.0027 0.0042 7603 ILE 60 HD11 -0.0043 -0.0005 0.0037 7604 ILE 60 HD12 -0.0042 -0.0005 0.0035 7605 ILE 60 HD13 -0.0040 -0.0003 0.0030 7606 THR 61 N -0.0036 -0.0026 0.0040 7607 THR 61 CA -0.0038 -0.0031 0.0043 7608 THR 61 C -0.0037 -0.0035 0.0039 7609 THR 61 O -0.0038 -0.0038 0.0041 7610 THR 61 CB -0.0039 -0.0035 0.0044 7611 THR 61 OG1 -0.0037 -0.0037 0.0039 7612 THR 61 CG2 -0.0040 -0.0031 0.0048 7613 THR 61 H -0.0035 -0.0026 0.0037 7614 THR 61 HA -0.0039 -0.0030 0.0046 7615 THR 61 HB -0.0040 -0.0038 0.0047 7616 THR 61 HG1 -0.0037 -0.0041 0.0038 7617 THR 61 HG21 -0.0038 -0.0027 0.0045 7618 THR 61 HG22 -0.0041 -0.0029 0.0051 7619 THR 61 HG23 -0.0041 -0.0033 0.0049 7620 HIS 62 N -0.0034 -0.0035 0.0034 7621 HIS 62 CA -0.0033 -0.0039 0.0029 7622 HIS 62 C -0.0030 -0.0036 0.0024 7623 HIS 62 O -0.0029 -0.0032 0.0023 7624 HIS 62 CB -0.0033 -0.0045 0.0028 7625 HIS 62 CG -0.0035 -0.0049 0.0033 7626 HIS 62 ND1 -0.0037 -0.0049 0.0036 7627 HIS 62 CD2 -0.0037 -0.0054 0.0035 7628 HIS 62 CE1 -0.0039 -0.0053 0.0040 7629 HIS 62 NE2 -0.0039 -0.0056 0.0039 7630 HIS 62 H -0.0033 -0.0033 0.0032 7631 HIS 62 HA -0.0034 -0.0040 0.0031 7632 HIS 62 HB2 -0.0032 -0.0044 0.0027 7633 HIS 62 HB3 -0.0032 -0.0048 0.0025 7634 HIS 62 HD2 -0.0036 -0.0055 0.0033 7635 HIS 62 HE1 -0.0041 -0.0053 0.0044 7636 HIS 62 HE2 -0.0040 -0.0059 0.0041 7637 VAL 63 N -0.0029 -0.0038 0.0021 7638 VAL 63 CA -0.0026 -0.0035 0.0015 7639 VAL 63 C -0.0025 -0.0040 0.0011 7640 VAL 63 O -0.0025 -0.0043 0.0012 7641 VAL 63 CB -0.0026 -0.0030 0.0016 7642 VAL 63 CG1 -0.0027 -0.0033 0.0018 7643 VAL 63 CG2 -0.0023 -0.0028 0.0010 7644 VAL 63 H -0.0030 -0.0041 0.0022 7645 VAL 63 HA -0.0025 -0.0033 0.0014 7646 VAL 63 HB -0.0027 -0.0027 0.0019 7647 VAL 63 HG11 -0.0029 -0.0035 0.0022 7648 VAL 63 HG12 -0.0027 -0.0029 0.0018 7649 VAL 63 HG13 -0.0026 -0.0036 0.0015 7650 VAL 63 HG21 -0.0023 -0.0025 0.0010 7651 VAL 63 HG22 -0.0022 -0.0025 0.0009 7652 VAL 63 HG23 -0.0022 -0.0031 0.0007 7653 ASN 64 N -0.0023 -0.0041 0.0007 7654 ASN 64 CA -0.0022 -0.0046 0.0003 7655 ASN 64 C -0.0023 -0.0052 0.0005 7656 ASN 64 O -0.0023 -0.0056 0.0002 7657 ASN 64 CB -0.0020 -0.0044 -0.0001 7658 ASN 64 CG -0.0017 -0.0045 -0.0007 7659 ASN 64 OD1 -0.0016 -0.0044 -0.0009 7660 ASN 64 ND2 -0.0016 -0.0046 -0.0010 7661 ASN 64 H -0.0023 -0.0039 0.0007 7662 ASN 64 HA -0.0020 -0.0046 -0.0000 7663 ASN 64 HB2 -0.0020 -0.0040 0.0000 7664 ASN 64 HB3 -0.0021 -0.0047 0.0000 7665 ASN 64 HD21 -0.0017 -0.0046 -0.0009 7666 ASN 64 HD22 -0.0014 -0.0046 -0.0014 7667 GLY 65 N -0.0026 -0.0053 0.0010 7668 GLY 65 CA -0.0027 -0.0059 0.0012 7669 GLY 65 C -0.0029 -0.0060 0.0015 7670 GLY 65 O -0.0029 -0.0064 0.0015 7671 GLY 65 H -0.0026 -0.0050 0.0011 7672 GLY 65 HA2 -0.0029 -0.0059 0.0015 7673 GLY 65 HA3 -0.0026 -0.0062 0.0009 7674 GLU 66 N -0.0030 -0.0055 0.0018 7675 GLU 66 CA -0.0031 -0.0055 0.0022 7676 GLU 66 C -0.0033 -0.0050 0.0027 7677 GLU 66 O -0.0032 -0.0045 0.0026 7678 GLU 66 CB -0.0029 -0.0052 0.0018 7679 GLU 66 CG -0.0030 -0.0056 0.0020 7680 GLU 66 CD -0.0031 -0.0062 0.0019 7681 GLU 66 OE1 -0.0033 -0.0065 0.0024 7682 GLU 66 OE2 -0.0029 -0.0065 0.0015 7683 GLU 66 H -0.0029 -0.0051 0.0018 7684 GLU 66 HA -0.0032 -0.0059 0.0023 7685 GLU 66 HB2 -0.0028 -0.0053 0.0014 7686 GLU 66 HB3 -0.0029 -0.0048 0.0019 7687 GLU 66 HG2 -0.0029 -0.0054 0.0017 7688 GLU 66 HG3 -0.0032 -0.0054 0.0024 7689 PRO 67 N -0.0051 -0.0038 0.0023 7690 PRO 67 CA -0.0052 -0.0035 0.0028 7691 PRO 67 C -0.0049 -0.0031 0.0028 7692 PRO 67 O -0.0048 -0.0032 0.0025 7693 PRO 67 CB -0.0056 -0.0039 0.0031 7694 PRO 67 CG -0.0057 -0.0044 0.0027 7695 PRO 67 CD -0.0055 -0.0043 0.0022 7696 PRO 67 HA -0.0052 -0.0033 0.0030 7697 PRO 67 HB2 -0.0055 -0.0037 0.0032 7698 PRO 67 HB3 -0.0058 -0.0039 0.0034 7699 PRO 67 HG2 -0.0056 -0.0044 0.0025 7700 PRO 67 HG3 -0.0060 -0.0047 0.0028 7701 PRO 67 HD2 -0.0054 -0.0045 0.0018 7702 PRO 67 HD3 -0.0056 -0.0045 0.0023 7703 VAL 68 N -0.0047 -0.0027 0.0031 7704 VAL 68 CA -0.0044 -0.0022 0.0031 7705 VAL 68 C -0.0046 -0.0022 0.0035 7706 VAL 68 O -0.0044 -0.0019 0.0035 7707 VAL 68 CB -0.0041 -0.0017 0.0032 7708 VAL 68 CG1 -0.0039 -0.0018 0.0027 7709 VAL 68 CG2 -0.0043 -0.0016 0.0037 7710 VAL 68 H -0.0048 -0.0026 0.0033 7711 VAL 68 HA -0.0042 -0.0023 0.0027 7712 VAL 68 HB -0.0039 -0.0014 0.0032 7713 VAL 68 HG11 -0.0042 -0.0021 0.0027 7714 VAL 68 HG12 -0.0038 -0.0018 0.0024 7715 VAL 68 HG13 -0.0038 -0.0014 0.0029 7716 VAL 68 HG21 -0.0044 -0.0016 0.0040 7717 VAL 68 HG22 -0.0045 -0.0019 0.0038 7718 VAL 68 HG23 -0.0041 -0.0013 0.0038 7719 HIS 69 N -0.0049 -0.0025 0.0038 7720 HIS 69 CA -0.0052 -0.0025 0.0042 7721 HIS 69 C -0.0051 -0.0026 0.0040 7722 HIS 69 O -0.0053 -0.0030 0.0038 7723 HIS 69 CB -0.0056 -0.0029 0.0045 7724 HIS 69 CG -0.0056 -0.0028 0.0048 7725 HIS 69 ND1 -0.0060 -0.0030 0.0052 7726 HIS 69 CD2 -0.0054 -0.0025 0.0048 7727 HIS 69 CE1 -0.0060 -0.0028 0.0055 7728 HIS 69 NE2 -0.0056 -0.0025 0.0052 7729 HIS 69 H -0.0051 -0.0027 0.0037 7730 HIS 69 HA -0.0051 -0.0022 0.0045 7731 HIS 69 HB2 -0.0056 -0.0032 0.0041 7732 HIS 69 HB3 -0.0058 -0.0030 0.0047 7733 HIS 69 HD2 -0.0051 -0.0023 0.0045 7734 HIS 69 HE1 -0.0062 -0.0029 0.0058 7735 HIS 69 HE2 -0.0055 -0.0022 0.0053 7736 GLY 70 N -0.0049 -0.0022 0.0041 7737 GLY 70 CA -0.0048 -0.0023 0.0039 7738 GLY 70 C -0.0044 -0.0021 0.0034 7739 GLY 70 O -0.0043 -0.0020 0.0032 7740 GLY 70 H -0.0047 -0.0019 0.0042 7741 GLY 70 HA2 -0.0049 -0.0021 0.0042 7742 GLY 70 HA3 -0.0050 -0.0027 0.0038 7743 LEU 71 N -0.0042 -0.0019 0.0031 7744 LEU 71 CA -0.0039 -0.0017 0.0027 7745 LEU 71 C -0.0036 -0.0012 0.0028 7746 LEU 71 O -0.0036 -0.0009 0.0033 7747 LEU 71 CB -0.0037 -0.0018 0.0024 7748 LEU 71 CG -0.0039 -0.0023 0.0021 7749 LEU 71 CD1 -0.0037 -0.0022 0.0017 7750 LEU 71 CD2 -0.0040 -0.0026 0.0017 7751 LEU 71 H -0.0043 -0.0020 0.0033 7752 LEU 71 HA -0.0039 -0.0019 0.0024 7753 LEU 71 HB2 -0.0038 -0.0016 0.0027 7754 LEU 71 HB3 -0.0034 -0.0015 0.0021 7755 LEU 71 HG -0.0042 -0.0025 0.0024 7756 LEU 71 HD11 -0.0039 -0.0026 0.0015 7757 LEU 71 HD12 -0.0035 -0.0020 0.0014 7758 LEU 71 HD13 -0.0037 -0.0020 0.0020 7759 LEU 71 HD21 -0.0042 -0.0027 0.0020 7760 LEU 71 HD22 -0.0037 -0.0024 0.0014 7761 LEU 71 HD23 -0.0041 -0.0029 0.0015 7762 VAL 72 N -0.0033 -0.0010 0.0025 7763 VAL 72 CA -0.0030 -0.0005 0.0027 7764 VAL 72 C -0.0027 -0.0002 0.0025 7765 VAL 72 O -0.0027 -0.0004 0.0022 7766 VAL 72 CB -0.0029 -0.0005 0.0024 7767 VAL 72 CG1 -0.0025 -0.0004 0.0018 7768 VAL 72 CG2 -0.0027 -0.0001 0.0028 7769 VAL 72 H -0.0033 -0.0013 0.0022 7770 VAL 72 HA -0.0032 -0.0004 0.0031 7771 VAL 72 HB -0.0031 -0.0008 0.0024 7772 VAL 72 HG11 -0.0023 -0.0000 0.0019 7773 VAL 72 HG12 -0.0026 -0.0006 0.0016 7774 VAL 72 HG13 -0.0025 -0.0005 0.0016 7775 VAL 72 HG21 -0.0030 -0.0001 0.0032 7776 VAL 72 HG22 -0.0025 0.0003 0.0027 7777 VAL 72 HG23 -0.0027 -0.0001 0.0026 7778 HIS 73 N -0.0027 -0.0005 0.0032 7779 HIS 73 CA -0.0024 -0.0000 0.0030 7780 HIS 73 C -0.0021 -0.0002 0.0024 7781 HIS 73 O -0.0019 -0.0001 0.0022 7782 HIS 73 CB -0.0021 0.0005 0.0032 7783 HIS 73 CG -0.0018 0.0011 0.0032 7784 HIS 73 ND1 -0.0019 0.0013 0.0037 7785 HIS 73 CD2 -0.0013 0.0014 0.0028 7786 HIS 73 CE1 -0.0015 0.0018 0.0036 7787 HIS 73 NE2 -0.0011 0.0018 0.0031 7788 HIS 73 H -0.0028 -0.0003 0.0034 7789 HIS 73 HA -0.0025 0.0000 0.0033 7790 HIS 73 HB2 -0.0023 0.0006 0.0036 7791 HIS 73 HB3 -0.0019 0.0005 0.0029 7792 HIS 73 HD1 -0.0022 0.0012 0.0041 7793 HIS 73 HD2 -0.0011 0.0013 0.0024 7794 HIS 73 HE1 -0.0015 0.0021 0.0039 7795 THR 74 N -0.0020 -0.0003 0.0020 7796 THR 74 CA -0.0017 -0.0005 0.0014 7797 THR 74 C -0.0019 -0.0011 0.0011 7798 THR 74 O -0.0017 -0.0012 0.0007 7799 THR 74 CB -0.0015 -0.0004 0.0011 7800 THR 74 OG1 -0.0018 -0.0009 0.0011 7801 THR 74 CG2 -0.0013 0.0001 0.0015 7802 THR 74 H -0.0021 -0.0004 0.0022 7803 THR 74 HA -0.0014 -0.0001 0.0013 7804 THR 74 HB -0.0012 -0.0004 0.0007 7805 THR 74 HG1 -0.0016 -0.0009 0.0008 7806 THR 74 HG21 -0.0010 0.0005 0.0014 7807 THR 74 HG22 -0.0013 0.0001 0.0014 7808 THR 74 HG23 -0.0015 0.0002 0.0019 7809 GLU 75 N -0.0023 -0.0014 0.0014 7810 GLU 75 CA -0.0026 -0.0020 0.0012 7811 GLU 75 C -0.0026 -0.0020 0.0012 7812 GLU 75 O -0.0025 -0.0023 0.0008 7813 GLU 75 CB -0.0030 -0.0024 0.0015 7814 GLU 75 CG -0.0031 -0.0027 0.0013 7815 GLU 75 CD -0.0036 -0.0031 0.0016 7816 GLU 75 OE1 -0.0037 -0.0029 0.0021 7817 GLU 75 OE2 -0.0037 -0.0036 0.0014 7818 GLU 75 H -0.0025 -0.0013 0.0018 7819 GLU 75 HA -0.0024 -0.0022 0.0007 7820 GLU 75 HB2 -0.0032 -0.0022 0.0020 7821 GLU 75 HB3 -0.0032 -0.0027 0.0015 7822 GLU 75 HG2 -0.0030 -0.0029 0.0008 7823 GLU 75 HG3 -0.0029 -0.0023 0.0013 7824 VAL 76 N -0.0026 -0.0016 0.0017 7825 VAL 76 CA -0.0026 -0.0016 0.0017 7826 VAL 76 C -0.0022 -0.0013 0.0012 7827 VAL 76 O -0.0021 -0.0016 0.0009 7828 VAL 76 CB -0.0027 -0.0012 0.0023 7829 VAL 76 CG1 -0.0032 -0.0016 0.0028 7830 VAL 76 CG2 -0.0025 -0.0007 0.0025 7831 VAL 76 H -0.0027 -0.0014 0.0020 7832 VAL 76 HA -0.0029 -0.0020 0.0016 7833 VAL 76 HB -0.0027 -0.0011 0.0023 7834 VAL 76 HG11 -0.0033 -0.0017 0.0028 7835 VAL 76 HG12 -0.0034 -0.0020 0.0026 7836 VAL 76 HG13 -0.0033 -0.0013 0.0032 7837 VAL 76 HG21 -0.0024 -0.0007 0.0023 7838 VAL 76 HG22 -0.0027 -0.0006 0.0030 7839 VAL 76 HG23 -0.0022 -0.0003 0.0025 7840 VAL 77 N -0.0018 -0.0009 0.0012 7841 VAL 77 CA -0.0014 -0.0006 0.0007 7842 VAL 77 C -0.0013 -0.0011 0.0001 7843 VAL 77 O -0.0011 -0.0011 -0.0002 7844 VAL 77 CB -0.0010 -0.0001 0.0008 7845 VAL 77 CG1 -0.0006 0.0002 0.0003 7846 VAL 77 CG2 -0.0011 0.0003 0.0014 7847 VAL 77 H -0.0019 -0.0007 0.0015 7848 VAL 77 HA -0.0013 -0.0004 0.0008 7849 VAL 77 HB -0.0011 -0.0003 0.0007 7850 VAL 77 HG11 -0.0005 -0.0002 -0.0001 7851 VAL 77 HG12 -0.0004 0.0004 0.0002 7852 VAL 77 HG13 -0.0004 0.0005 0.0004 7853 VAL 77 HG21 -0.0011 0.0004 0.0015 7854 VAL 77 HG22 -0.0014 0.0001 0.0017 7855 VAL 77 HG23 -0.0009 0.0007 0.0013 7856 GLU 78 N -0.0014 -0.0014 0.0000 7857 GLU 78 CA -0.0014 -0.0018 -0.0005 7858 GLU 78 C -0.0016 -0.0023 -0.0006 7859 GLU 78 O -0.0015 -0.0025 -0.0011 7860 GLU 78 CB -0.0015 -0.0021 -0.0006 7861 GLU 78 CG -0.0012 -0.0018 -0.0008 7862 GLU 78 CD -0.0012 -0.0021 -0.0011 7863 GLU 78 OE1 -0.0015 -0.0027 -0.0012 7864 GLU 78 OE2 -0.0010 -0.0019 -0.0012 7865 GLU 78 H -0.0016 -0.0013 0.0003 7866 GLU 78 HA -0.0010 -0.0016 -0.0009 7867 GLU 78 HB2 -0.0018 -0.0021 -0.0002 7868 GLU 78 HB3 -0.0016 -0.0025 -0.0009 7869 GLU 78 HG2 -0.0009 -0.0016 -0.0011 7870 GLU 78 HG3 -0.0012 -0.0014 -0.0004 7871 LEU 79 N -0.0016 -0.0035 -0.0000 7872 LEU 79 CA -0.0018 -0.0040 -0.0001 7873 LEU 79 C -0.0014 -0.0037 -0.0004 7874 LEU 79 O -0.0013 -0.0041 -0.0008 7875 LEU 79 CB -0.0023 -0.0041 0.0006 7876 LEU 79 CG -0.0027 -0.0048 0.0007 7877 LEU 79 CD1 -0.0025 -0.0053 0.0001 7878 LEU 79 CD2 -0.0028 -0.0052 0.0007 7879 LEU 79 H -0.0018 -0.0033 0.0004 7880 LEU 79 HA -0.0018 -0.0045 -0.0004 7881 LEU 79 HB2 -0.0024 -0.0038 0.0009 7882 LEU 79 HB3 -0.0022 -0.0038 0.0007 7883 LEU 79 HG -0.0030 -0.0048 0.0011 7884 LEU 79 HD11 -0.0028 -0.0058 0.0002 7885 LEU 79 HD12 -0.0022 -0.0053 -0.0003 7886 LEU 79 HD13 -0.0024 -0.0050 0.0001 7887 LEU 79 HD21 -0.0031 -0.0057 0.0007 7888 LEU 79 HD22 -0.0030 -0.0048 0.0010 7889 LEU 79 HD23 -0.0025 -0.0052 0.0002 7890 ILE 80 N -0.0012 -0.0030 -0.0003 7891 ILE 80 CA -0.0009 -0.0027 -0.0005 7892 ILE 80 C -0.0004 -0.0027 -0.0012 7893 ILE 80 O -0.0002 -0.0030 -0.0016 7894 ILE 80 CB -0.0008 -0.0019 -0.0002 7895 ILE 80 CG1 -0.0012 -0.0019 0.0005 7896 ILE 80 CG2 -0.0003 -0.0015 -0.0006 7897 ILE 80 CD1 -0.0013 -0.0012 0.0010 7898 ILE 80 H -0.0013 -0.0027 0.0001 7899 ILE 80 HA -0.0010 -0.0030 -0.0005 7900 ILE 80 HB -0.0008 -0.0017 -0.0001 7901 ILE 80 HG12 -0.0012 -0.0019 0.0004 7902 ILE 80 HG13 -0.0016 -0.0024 0.0006 7903 ILE 80 HG21 -0.0000 -0.0013 -0.0009 7904 ILE 80 HG22 -0.0004 -0.0010 -0.0002 7905 ILE 80 HG23 -0.0003 -0.0018 -0.0008 7906 ILE 80 HD11 -0.0017 -0.0013 0.0014 7907 ILE 80 HD12 -0.0010 -0.0008 0.0008 7908 ILE 80 HD13 -0.0014 -0.0012 0.0010 7909 LEU 81 N -0.0002 -0.0025 -0.0014 7910 LEU 81 CA 0.0003 -0.0025 -0.0020 7911 LEU 81 C 0.0002 -0.0032 -0.0024 7912 LEU 81 O 0.0006 -0.0034 -0.0030 7913 LEU 81 CB 0.0004 -0.0022 -0.0020 7914 LEU 81 CG 0.0005 -0.0014 -0.0016 7915 LEU 81 CD1 0.0006 -0.0011 -0.0016 7916 LEU 81 CD2 0.0009 -0.0009 -0.0019 7917 LEU 81 H -0.0004 -0.0023 -0.0010 7918 LEU 81 HA 0.0005 -0.0022 -0.0022 7919 LEU 81 HB2 0.0001 -0.0025 -0.0018 7920 LEU 81 HB3 0.0007 -0.0022 -0.0025 7921 LEU 81 HG 0.0002 -0.0013 -0.0012 7922 LEU 81 HD11 0.0003 -0.0014 -0.0014 7923 LEU 81 HD12 0.0006 -0.0006 -0.0014 7924 LEU 81 HD13 0.0009 -0.0012 -0.0021 7925 LEU 81 HD21 0.0008 -0.0010 -0.0019 7926 LEU 81 HD22 0.0012 -0.0010 -0.0024 7927 LEU 81 HD23 0.0010 -0.0004 -0.0017 7928 LYS 82 N -0.0002 -0.0038 -0.0021 7929 LYS 82 CA -0.0003 -0.0045 -0.0024 7930 LYS 82 C -0.0002 -0.0048 -0.0027 7931 LYS 82 O -0.0001 -0.0052 -0.0032 7932 LYS 82 CB -0.0008 -0.0049 -0.0020 7933 LYS 82 CG -0.0009 -0.0057 -0.0023 7934 LYS 82 CD -0.0015 -0.0062 -0.0018 7935 LYS 82 CE -0.0018 -0.0060 -0.0013 7936 LYS 82 NZ -0.0019 -0.0064 -0.0014 7937 LYS 82 H -0.0005 -0.0036 -0.0017 7938 LYS 82 HA -0.0001 -0.0046 -0.0028 7939 LYS 82 HB2 -0.0009 -0.0046 -0.0017 7940 LYS 82 HB3 -0.0011 -0.0050 -0.0017 7941 LYS 82 HG2 -0.0007 -0.0059 -0.0027 7942 LYS 82 HG3 -0.0009 -0.0056 -0.0023 7943 LYS 82 HD2 -0.0016 -0.0061 -0.0017 7944 LYS 82 HD3 -0.0015 -0.0067 -0.0021 7945 LYS 82 HE2 -0.0017 -0.0055 -0.0011 7946 LYS 82 HE3 -0.0022 -0.0062 -0.0009 7947 LYS 82 HZ1 -0.0016 -0.0062 -0.0017 7948 LYS 82 HZ2 -0.0020 -0.0070 -0.0015 7949 LYS 82 HZ3 -0.0022 -0.0063 -0.0010 7950 SER 83 N -0.0004 -0.0045 -0.0023 7951 SER 83 CA -0.0003 -0.0047 -0.0025 7952 SER 83 C 0.0002 -0.0046 -0.0032 7953 SER 83 O 0.0003 -0.0051 -0.0036 7954 SER 83 CB -0.0005 -0.0043 -0.0020 7955 SER 83 OG -0.0005 -0.0045 -0.0022 7956 SER 83 H -0.0005 -0.0042 -0.0019 7957 SER 83 HA -0.0005 -0.0053 -0.0026 7958 SER 83 HB2 -0.0009 -0.0044 -0.0016 7959 SER 83 HB3 -0.0003 -0.0038 -0.0020 7960 SER 83 HG -0.0003 -0.0041 -0.0023 7961 GLY 84 N 0.0005 -0.0039 -0.0033 7962 GLY 84 CA 0.0010 -0.0038 -0.0039 7963 GLY 84 C 0.0013 -0.0030 -0.0038 7964 GLY 84 O 0.0013 -0.0025 -0.0034 7965 GLY 84 H 0.0004 -0.0036 -0.0029 7966 GLY 84 HA2 0.0012 -0.0038 -0.0041 7967 GLY 84 HA3 0.0011 -0.0042 -0.0041 7968 ASN 85 N 0.0018 -0.0033 -0.0039 7969 ASN 85 CA 0.0020 -0.0026 -0.0041 7970 ASN 85 C 0.0017 -0.0024 -0.0036 7971 ASN 85 O 0.0018 -0.0018 -0.0036 7972 ASN 85 CB 0.0024 -0.0027 -0.0048 7973 ASN 85 CG 0.0024 -0.0034 -0.0049 7974 ASN 85 OD1 0.0023 -0.0033 -0.0048 7975 ASN 85 ND2 0.0024 -0.0041 -0.0051 7976 ASN 85 H 0.0019 -0.0038 -0.0042 7977 ASN 85 HA 0.0021 -0.0021 -0.0041 7978 ASN 85 HB2 0.0026 -0.0022 -0.0049 7979 ASN 85 HB3 0.0027 -0.0028 -0.0051 7980 ASN 85 HD21 0.0025 -0.0041 -0.0052 7981 ASN 85 HD22 0.0024 -0.0045 -0.0052 7982 LYS 86 N 0.0013 -0.0028 -0.0031 7983 LYS 86 CA 0.0010 -0.0027 -0.0026 7984 LYS 86 C 0.0005 -0.0032 -0.0021 7985 LYS 86 O 0.0004 -0.0036 -0.0021 7986 LYS 86 CB 0.0011 -0.0030 -0.0029 7987 LYS 86 CG 0.0012 -0.0038 -0.0033 7988 LYS 86 CD 0.0013 -0.0041 -0.0034 7989 LYS 86 CE 0.0013 -0.0049 -0.0037 7990 LYS 86 NZ 0.0010 -0.0055 -0.0033 7991 LYS 86 H 0.0012 -0.0033 -0.0031 7992 LYS 86 HA 0.0010 -0.0021 -0.0025 7993 LYS 86 HB2 0.0009 -0.0029 -0.0025 7994 LYS 86 HB3 0.0014 -0.0025 -0.0033 7995 LYS 86 HG2 0.0016 -0.0038 -0.0038 7996 LYS 86 HG3 0.0010 -0.0042 -0.0030 7997 LYS 86 HD2 0.0009 -0.0041 -0.0029 7998 LYS 86 HD3 0.0015 -0.0037 -0.0037 7999 LYS 86 HE2 0.0014 -0.0051 -0.0038 8000 LYS 86 HE3 0.0017 -0.0049 -0.0042 8001 LYS 86 HZ1 0.0010 -0.0054 -0.0033 8002 LYS 86 HZ2 0.0010 -0.0061 -0.0035 8003 LYS 86 HZ3 0.0007 -0.0054 -0.0028 8004 VAL 87 N 0.0002 -0.0030 -0.0015 8005 VAL 87 CA -0.0003 -0.0034 -0.0009 8006 VAL 87 C -0.0006 -0.0033 -0.0005 8007 VAL 87 O -0.0005 -0.0028 -0.0004 8008 VAL 87 CB -0.0005 -0.0031 -0.0006 8009 VAL 87 CG1 -0.0005 -0.0022 -0.0003 8010 VAL 87 CG2 -0.0010 -0.0036 0.0000 8011 VAL 87 H 0.0003 -0.0027 -0.0016 8012 VAL 87 HA -0.0003 -0.0040 -0.0011 8013 VAL 87 HB -0.0003 -0.0031 -0.0009 8014 VAL 87 HG11 -0.0007 -0.0022 -0.0000 8015 VAL 87 HG12 -0.0002 -0.0019 -0.0007 8016 VAL 87 HG13 -0.0007 -0.0020 -0.0000 8017 VAL 87 HG21 -0.0009 -0.0041 -0.0002 8018 VAL 87 HG22 -0.0012 -0.0037 0.0003 8019 VAL 87 HG23 -0.0011 -0.0033 0.0003 8020 ALA 88 N -0.0009 -0.0039 -0.0001 8021 ALA 88 CA -0.0012 -0.0040 0.0003 8022 ALA 88 C -0.0017 -0.0037 0.0010 8023 ALA 88 O -0.0020 -0.0041 0.0014 8024 ALA 88 CB -0.0014 -0.0048 0.0003 8025 ALA 88 H -0.0010 -0.0044 -0.0002 8026 ALA 88 HA -0.0011 -0.0036 0.0002 8027 ALA 88 HB1 -0.0011 -0.0050 -0.0002 8028 ALA 88 HB2 -0.0016 -0.0048 0.0007 8029 ALA 88 HB3 -0.0015 -0.0052 0.0005 8030 ILE 89 N -0.0017 -0.0029 0.0012 8031 ILE 89 CA -0.0021 -0.0026 0.0019 8032 ILE 89 C -0.0024 -0.0027 0.0024 8033 ILE 89 O -0.0023 -0.0024 0.0023 8034 ILE 89 CB -0.0019 -0.0017 0.0019 8035 ILE 89 CG1 -0.0023 -0.0014 0.0026 8036 ILE 89 CG2 -0.0016 -0.0012 0.0016 8037 ILE 89 CD1 -0.0022 -0.0006 0.0027 8038 ILE 89 H -0.0014 -0.0026 0.0009 8039 ILE 89 HA -0.0022 -0.0029 0.0021 8040 ILE 89 HB -0.0017 -0.0017 0.0017 8041 ILE 89 HG12 -0.0025 -0.0012 0.0029 8042 ILE 89 HG13 -0.0026 -0.0018 0.0029 8043 ILE 89 HG21 -0.0013 -0.0014 0.0011 8044 ILE 89 HG22 -0.0015 -0.0006 0.0016 8045 ILE 89 HG23 -0.0018 -0.0013 0.0018 8046 ILE 89 HD11 -0.0025 -0.0003 0.0032 8047 ILE 89 HD12 -0.0019 -0.0003 0.0023 8048 ILE 89 HD13 -0.0022 -0.0008 0.0026 8049 SER 90 N -0.0028 -0.0032 0.0028 8050 SER 90 CA -0.0031 -0.0034 0.0033 8051 SER 90 C -0.0035 -0.0028 0.0039 8052 SER 90 O -0.0037 -0.0028 0.0043 8053 SER 90 CB -0.0034 -0.0042 0.0035 8054 SER 90 OG -0.0035 -0.0046 0.0035 8055 SER 90 H -0.0029 -0.0035 0.0029 8056 SER 90 HA -0.0030 -0.0033 0.0031 8057 SER 90 HB2 -0.0032 -0.0046 0.0031 8058 SER 90 HB3 -0.0037 -0.0042 0.0039 8059 SER 90 HG -0.0038 -0.0050 0.0039 8060 THR 91 N -0.0026 -0.0003 0.0054 8061 THR 91 CA -0.0029 -0.0013 0.0036 8062 THR 91 C -0.0013 -0.0009 0.0018 8063 THR 91 O -0.0000 0.0002 0.0020 8064 THR 91 CB -0.0045 -0.0029 0.0030 8065 THR 91 OG1 -0.0043 -0.0028 0.0029 8066 THR 91 CG2 -0.0062 -0.0034 0.0046 8067 THR 91 H -0.0026 -0.0002 0.0055 8068 THR 91 HA -0.0031 -0.0014 0.0038 8069 THR 91 HB -0.0046 -0.0036 0.0016 8070 THR 91 HG1 -0.0044 -0.0035 0.0016 8071 THR 91 HG21 -0.0061 -0.0027 0.0061 8072 THR 91 HG22 -0.0063 -0.0035 0.0047 8073 THR 91 HG23 -0.0073 -0.0045 0.0042 8074 THR 92 N -0.0012 -0.0016 0.0001 8075 THR 92 CA 0.0003 -0.0012 -0.0017 8076 THR 92 C 0.0000 -0.0022 -0.0033 8077 THR 92 O -0.0009 -0.0035 -0.0044 8078 THR 92 CB 0.0010 -0.0011 -0.0026 8079 THR 92 OG1 0.0024 -0.0009 -0.0044 8080 THR 92 CG2 -0.0005 -0.0025 -0.0031 8081 THR 92 H -0.0022 -0.0025 -0.0001 8082 THR 92 HA 0.0014 -0.0001 -0.0011 8083 THR 92 HB 0.0015 -0.0002 -0.0015 8084 THR 92 HG1 0.0019 -0.0018 -0.0056 8085 THR 92 HG21 -0.0000 -0.0024 -0.0036 8086 THR 92 HG22 -0.0010 -0.0034 -0.0042 8087 THR 92 HG23 -0.0016 -0.0027 -0.0017 8088 PRO 93 N 0.0008 -0.0017 -0.0034 8089 PRO 93 CA 0.0006 -0.0025 -0.0050 8090 PRO 93 C 0.0013 -0.0031 -0.0071 8091 PRO 93 O 0.0020 -0.0027 -0.0075 8092 PRO 93 CB 0.0018 -0.0015 -0.0047 8093 PRO 93 CG 0.0019 -0.0004 -0.0025 8094 PRO 93 CD 0.0018 -0.0003 -0.0020 8095 PRO 93 HA -0.0007 -0.0035 -0.0047 8096 PRO 93 HB2 0.0031 -0.0009 -0.0057 8097 PRO 93 HB3 0.0013 -0.0020 -0.0050 8098 PRO 93 HG2 0.0031 0.0006 -0.0024 8099 PRO 93 HG3 0.0008 -0.0008 -0.0016 8100 PRO 93 HD2 0.0030 0.0006 -0.0023 8101 PRO 93 HD3 0.0010 -0.0001 -0.0005 8102 LEU 94 N 0.0010 -0.0039 -0.0086 8103 LEU 94 CA 0.0015 -0.0045 -0.0107 8104 LEU 94 C 0.0035 -0.0033 -0.0115 8105 LEU 94 O 0.0045 -0.0021 -0.0106 8106 LEU 94 CB 0.0009 -0.0056 -0.0120 8107 LEU 94 CG 0.0002 -0.0057 -0.0109 8108 LEU 94 CD1 0.0016 -0.0043 -0.0104 8109 LEU 94 CD2 -0.0009 -0.0071 -0.0121 8110 LEU 94 H 0.0005 -0.0041 -0.0082 8111 LEU 94 HA 0.0009 -0.0051 -0.0109 8112 LEU 94 HB2 0.0021 -0.0052 -0.0132 8113 LEU 94 HB3 -0.0000 -0.0066 -0.0127 8114 LEU 94 HG -0.0007 -0.0057 -0.0094 8115 LEU 94 HD11 0.0018 -0.0035 -0.0090 8116 LEU 94 HD12 0.0012 -0.0046 -0.0105 8117 LEU 94 HD13 0.0028 -0.0039 -0.0116 8118 LEU 94 HD21 -0.0013 -0.0071 -0.0113 8119 LEU 94 HD22 -0.0020 -0.0080 -0.0122 8120 LEU 94 HD23 -0.0001 -0.0071 -0.0136 8121 GLU 95 N 0.0041 -0.0036 -0.0132 8122 GLU 95 CA 0.0059 -0.0026 -0.0141 8123 GLU 95 C 0.0063 -0.0034 -0.0163 8124 GLU 95 O 0.0051 -0.0046 -0.0171 8125 GLU 95 CB 0.0066 -0.0016 -0.0130 8126 GLU 95 CG 0.0061 -0.0022 -0.0136 8127 GLU 95 CD 0.0042 -0.0034 -0.0128 8128 GLU 95 OE1 0.0036 -0.0030 -0.0110 8129 GLU 95 OE2 0.0032 -0.0047 -0.0139 8130 GLU 95 H 0.0032 -0.0046 -0.0139 8131 GLU 95 HA 0.0066 -0.0020 -0.0139 8132 GLU 95 HB2 0.0080 -0.0006 -0.0133 8133 GLU 95 HB3 0.0060 -0.0012 -0.0114 8134 GLU 95 HG2 0.0065 -0.0027 -0.0152 8135 GLU 95 HG3 0.0068 -0.0013 -0.0129 8136 ASN 96 N 0.0079 -0.0026 -0.0174 8137 ASN 96 CA 0.0084 -0.0032 -0.0196 8138 ASN 96 C 0.0087 -0.0032 -0.0201 8139 ASN 96 O 0.0089 -0.0024 -0.0187 8140 ASN 96 CB 0.0101 -0.0023 -0.0206 8141 ASN 96 CG 0.0116 -0.0007 -0.0197 8142 ASN 96 OD1 0.0126 -0.0002 -0.0202 8143 ASN 96 ND2 0.0118 0.0001 -0.0183 8144 ASN 96 OXT 0.0088 -0.0039 -0.0218 8145 ASN 96 H 0.0088 -0.0016 -0.0168 8146 ASN 96 HA 0.0074 -0.0043 -0.0202 8147 ASN 96 HB2 0.0105 -0.0028 -0.0222 8148 ASN 96 HB3 0.0098 -0.0025 -0.0205 8149 ASN 96 HD21 0.0111 -0.0004 -0.0180 8150 ASN 96 HD22 0.0128 0.0012 -0.0177 8151 SER 101 N 0.0020 -0.0026 0.0086 8152 SER 101 CA 0.0005 -0.0028 0.0093 8153 SER 101 C 0.0011 -0.0029 0.0093 8154 SER 101 O 0.0001 -0.0032 0.0099 8155 SER 101 CB -0.0002 -0.0039 0.0110 8156 SER 101 OG -0.0006 -0.0038 0.0111 8157 SER 101 H1 0.0032 -0.0033 0.0093 8158 SER 101 H2 0.0024 -0.0019 0.0074 8159 SER 101 H3 0.0015 -0.0026 0.0087 8160 SER 101 HA -0.0007 -0.0021 0.0086 8161 SER 101 HB2 0.0009 -0.0046 0.0118 8162 SER 101 HB3 -0.0015 -0.0039 0.0114 8163 SER 101 HG -0.0018 -0.0040 0.0116 8164 TRP 102 N 0.0028 -0.0027 0.0085 8165 TRP 102 CA 0.0037 -0.0028 0.0084 8166 TRP 102 C 0.0056 -0.0025 0.0075 8167 TRP 102 O 0.0071 -0.0033 0.0082 8168 TRP 102 CB 0.0038 -0.0040 0.0101 8169 TRP 102 CG 0.0044 -0.0040 0.0100 8170 TRP 102 CD1 0.0060 -0.0039 0.0094 8171 TRP 102 CD2 0.0032 -0.0043 0.0107 8172 TRP 102 NE1 0.0060 -0.0040 0.0096 8173 TRP 102 CE2 0.0043 -0.0043 0.0104 8174 TRP 102 CE3 0.0014 -0.0045 0.0115 8175 TRP 102 CZ2 0.0036 -0.0045 0.0109 8176 TRP 102 CZ3 0.0007 -0.0047 0.0120 8177 TRP 102 CH2 0.0018 -0.0047 0.0117 8178 TRP 102 H 0.0036 -0.0025 0.0080 8179 TRP 102 HA 0.0028 -0.0022 0.0077 8180 TRP 102 HB2 0.0025 -0.0042 0.0107 8181 TRP 102 HB3 0.0049 -0.0046 0.0106 8182 TRP 102 HD1 0.0072 -0.0037 0.0088 8183 TRP 102 HE1 0.0070 -0.0040 0.0092 8184 TRP 102 HE3 0.0006 -0.0045 0.0118 8185 TRP 102 HZ2 0.0044 -0.0045 0.0107 8186 TRP 102 HZ3 -0.0006 -0.0049 0.0127 8187 TRP 102 HH2 0.0013 -0.0049 0.0121 8188 GLU 103 N 0.0057 -0.0015 0.0059 8189 GLU 103 CA 0.0075 -0.0011 0.0049 8190 GLU 103 C 0.0081 -0.0007 0.0041 8191 GLU 103 O 0.0094 -0.0013 0.0046 8192 GLU 103 CB 0.0072 -0.0002 0.0037 8193 GLU 103 CG 0.0071 -0.0007 0.0044 8194 GLU 103 CD 0.0055 -0.0012 0.0056 8195 GLU 103 OE1 0.0038 -0.0007 0.0053 8196 GLU 103 OE2 0.0058 -0.0022 0.0070 8197 GLU 103 H 0.0045 -0.0009 0.0054 8198 GLU 103 HA 0.0085 -0.0018 0.0057 8199 GLU 103 HB2 0.0060 0.0004 0.0032 8200 GLU 103 HB3 0.0084 0.0001 0.0028 8201 GLU 103 HG2 0.0070 -0.0000 0.0034 8202 GLU 103 HG3 0.0084 -0.0013 0.0049 8203 SER 104 N 0.0072 0.0003 0.0029 8204 SER 104 CA 0.0078 0.0008 0.0021 8205 SER 104 C 0.0064 0.0007 0.0026 8206 SER 104 O 0.0047 0.0008 0.0029 8207 SER 104 CB 0.0078 0.0020 0.0003 8208 SER 104 OG 0.0082 0.0022 -0.0002 8209 SER 104 H 0.0062 0.0007 0.0026 8210 SER 104 HA 0.0092 0.0003 0.0023 8211 SER 104 HB2 0.0064 0.0025 -0.0001 8212 SER 104 HB3 0.0089 0.0022 -0.0004 8213 SER 104 HG 0.0092 0.0016 0.0005 8214 HIS 105 N 0.0072 0.0005 0.0026 8215 HIS 105 CA 0.0060 0.0004 0.0031 8216 HIS 105 C 0.0058 0.0014 0.0017 8217 HIS 105 O 0.0046 0.0016 0.0017 8218 HIS 105 CB 0.0069 -0.0006 0.0044 8219 HIS 105 CG 0.0055 -0.0012 0.0055 8220 HIS 105 ND1 0.0047 -0.0020 0.0069 8221 HIS 105 CD2 0.0047 -0.0010 0.0054 8222 HIS 105 CE1 0.0035 -0.0022 0.0076 8223 HIS 105 NE2 0.0035 -0.0016 0.0068 8224 HIS 105 H 0.0085 0.0004 0.0023 8225 HIS 105 HA 0.0046 0.0003 0.0036 8226 HIS 105 HB2 0.0077 -0.0013 0.0050 8227 HIS 105 HB3 0.0079 -0.0004 0.0038 8228 HIS 105 HD2 0.0051 -0.0004 0.0045 8229 HIS 105 HE1 0.0027 -0.0029 0.0087 8230 HIS 105 HE2 0.0025 -0.0015 0.0069 8231 LYS 106 N 0.0070 0.0021 0.0004 8232 LYS 106 CA 0.0070 0.0031 -0.0011 8233 LYS 106 C 0.0051 0.0040 -0.0018 8234 LYS 106 O 0.0050 0.0046 -0.0027 8235 LYS 106 CB 0.0087 0.0036 -0.0023 8236 LYS 106 CG 0.0088 0.0046 -0.0038 8237 LYS 106 CD 0.0104 0.0051 -0.0050 8238 LYS 106 CE 0.0103 0.0063 -0.0066 8239 LYS 106 NZ 0.0119 0.0068 -0.0078 8240 LYS 106 H 0.0079 0.0019 0.0004 8241 LYS 106 HA 0.0070 0.0029 -0.0008 8242 LYS 106 HB2 0.0100 0.0029 -0.0017 8243 LYS 106 HB3 0.0086 0.0038 -0.0026 8244 LYS 106 HG2 0.0075 0.0052 -0.0043 8245 LYS 106 HG3 0.0091 0.0044 -0.0035 8246 LYS 106 HD2 0.0118 0.0046 -0.0046 8247 LYS 106 HD3 0.0103 0.0052 -0.0051 8248 LYS 106 HE2 0.0090 0.0068 -0.0070 8249 LYS 106 HE3 0.0104 0.0061 -0.0065 8250 LYS 106 HZ1 0.0131 0.0064 -0.0076 8251 LYS 106 HZ2 0.0115 0.0076 -0.0089 8252 LYS 106 HZ3 0.0121 0.0066 -0.0076 8253 SER 107 N 0.0001 0.0021 0.0030 8254 SER 107 CA -0.0001 0.0019 0.0028 8255 SER 107 C -0.0001 0.0020 0.0025 8256 SER 107 O -0.0002 0.0018 0.0024 8257 SER 107 CB -0.0003 0.0017 0.0030 8258 SER 107 OG -0.0003 0.0018 0.0032 8259 SER 107 H 0.0001 0.0022 0.0030 8260 SER 107 HA -0.0001 0.0019 0.0028 8261 SER 107 HB2 -0.0004 0.0016 0.0029 8262 SER 107 HB3 -0.0004 0.0016 0.0031 8263 SER 107 HG -0.0001 0.0019 0.0033 8264 GLY 108 N 0.0001 0.0022 0.0025 8265 GLY 108 CA 0.0001 0.0022 0.0022 8266 GLY 108 C 0.0003 0.0025 0.0022 8267 GLY 108 O 0.0005 0.0026 0.0022 8268 GLY 108 H 0.0002 0.0023 0.0026 8269 GLY 108 HA2 0.0001 0.0023 0.0020 8270 GLY 108 HA3 0.0000 0.0021 0.0021 8271 GLY 109 N 0.0003 0.0024 0.0023 8272 GLY 109 CA 0.0005 0.0026 0.0023 8273 GLY 109 C 0.0005 0.0026 0.0024 8274 GLY 109 O 0.0004 0.0025 0.0026 8275 GLY 109 H 0.0002 0.0023 0.0023 8276 GLY 109 HA2 0.0006 0.0028 0.0025 8277 GLY 109 HA3 0.0006 0.0027 0.0021 8278 GLU 110 N 0.0005 0.0027 0.0022 8279 GLU 110 CA 0.0005 0.0026 0.0023 8280 GLU 110 C 0.0004 0.0026 0.0020 8281 GLU 110 O 0.0005 0.0026 0.0020 8282 GLU 110 CB 0.0007 0.0029 0.0024 8283 GLU 110 CG 0.0008 0.0029 0.0027 8284 GLU 110 CD 0.0010 0.0031 0.0029 8285 GLU 110 OE1 0.0011 0.0033 0.0028 8286 GLU 110 OE2 0.0009 0.0031 0.0031 8287 GLU 110 H 0.0006 0.0028 0.0021 8288 GLU 110 HA 0.0004 0.0025 0.0025 8289 GLU 110 HB2 0.0008 0.0030 0.0023 8290 GLU 110 HB3 0.0007 0.0028 0.0025 8291 GLU 110 HG2 0.0007 0.0028 0.0029 8292 GLU 110 HG3 0.0008 0.0030 0.0027 8293 THR 111 N 0.0003 0.0025 0.0018 8294 THR 111 CA 0.0002 0.0024 0.0015 8295 THR 111 C 0.0001 0.0022 0.0016 8296 THR 111 O -0.0001 0.0020 0.0017 8297 THR 111 CB 0.0002 0.0023 0.0013 8298 THR 111 OG1 0.0003 0.0024 0.0013 8299 THR 111 CG2 0.0001 0.0022 0.0010 8300 THR 111 H 0.0003 0.0024 0.0019 8301 THR 111 HA 0.0004 0.0025 0.0014 8302 THR 111 HB 0.0000 0.0021 0.0014 8303 THR 111 HG1 0.0004 0.0026 0.0014 8304 THR 111 HG21 0.0001 0.0022 0.0009 8305 THR 111 HG22 0.0003 0.0024 0.0009 8306 THR 111 HG23 0.0000 0.0021 0.0010 8307 ARG 112 N 0.0001 0.0023 0.0016 8308 ARG 112 CA 0.0000 0.0021 0.0017 8309 ARG 112 C -0.0001 0.0020 0.0014 8310 ARG 112 O -0.0000 0.0021 0.0011 8311 ARG 112 CB 0.0001 0.0022 0.0018 8312 ARG 112 CG 0.0003 0.0024 0.0017 8313 ARG 112 CD 0.0003 0.0025 0.0017 8314 ARG 112 NE 0.0002 0.0023 0.0015 8315 ARG 112 CZ 0.0002 0.0023 0.0016 8316 ARG 112 NH1 0.0003 0.0024 0.0018 8317 ARG 112 NH2 0.0000 0.0021 0.0014 8318 ARG 112 H 0.0003 0.0024 0.0016 8319 ARG 112 HA -0.0001 0.0020 0.0018 8320 ARG 112 HB2 0.0000 0.0021 0.0018 8321 ARG 112 HB3 0.0002 0.0023 0.0021 8322 ARG 112 HG2 0.0004 0.0026 0.0018 8323 ARG 112 HG3 0.0003 0.0024 0.0014 8324 ARG 112 HD2 0.0003 0.0025 0.0020 8325 ARG 112 HD3 0.0005 0.0026 0.0016 8326 ARG 112 HE 0.0001 0.0022 0.0014 8327 ARG 112 HH11 0.0004 0.0025 0.0019 8328 ARG 112 HH12 0.0003 0.0024 0.0018 8329 ARG 112 HH21 -0.0001 0.0020 0.0013 8330 ARG 112 HH22 0.0000 0.0021 0.0014 8331 LEU 113 N -0.0004 0.0012 0.0011 8332 LEU 113 CA -0.0002 0.0009 0.0005 8333 LEU 113 C 0.0002 0.0013 0.0003 8334 LEU 113 O 0.0005 0.0018 0.0002 8335 LEU 113 CB -0.0006 0.0004 0.0007 8336 LEU 113 CG -0.0009 -0.0002 0.0007 8337 LEU 113 CD1 -0.0007 -0.0004 0.0002 8338 LEU 113 CD2 -0.0013 -0.0001 0.0013 8339 LEU 113 OXT 0.0002 0.0012 0.0002 8340 LEU 113 H -0.0006 0.0013 0.0014 8341 LEU 113 HA -0.0001 0.0007 0.0003 8342 LEU 113 HB2 -0.0007 0.0006 0.0010 8343 LEU 113 HB3 -0.0004 0.0003 0.0003 8344 LEU 113 HG -0.0011 -0.0005 0.0007 8345 LEU 113 HD11 -0.0010 -0.0009 0.0003 8346 LEU 113 HD12 -0.0006 -0.0001 0.0003 8347 LEU 113 HD13 -0.0005 -0.0005 -0.0002 8348 LEU 113 HD21 -0.0014 0.0001 0.0016 8349 LEU 113 HD22 -0.0011 0.0003 0.0013 8350 LEU 113 HD23 -0.0015 -0.0005 0.0013 8351 GLY 1 N 0.0060 0.0004 -0.0224 8352 GLY 1 CA 0.0048 -0.0001 -0.0200 8353 GLY 1 C 0.0072 0.0010 -0.0188 8354 GLY 1 O 0.0097 0.0022 -0.0200 8355 GLY 1 H1 0.0043 -0.0005 -0.0233 8356 GLY 1 H2 0.0076 0.0012 -0.0212 8357 GLY 1 H3 0.0071 0.0008 -0.0244 8358 GLY 1 HA2 0.0031 -0.0010 -0.0212 8359 GLY 1 HA3 0.0038 -0.0005 -0.0180 8360 GLY 2 N 0.0064 0.0008 -0.0163 8361 GLY 2 CA 0.0085 0.0018 -0.0149 8362 GLY 2 C 0.0087 0.0020 -0.0112 8363 GLY 2 O 0.0071 0.0013 -0.0097 8364 GLY 2 H 0.0044 -0.0002 -0.0154 8365 GLY 2 HA2 0.0107 0.0028 -0.0160 8366 GLY 2 HA3 0.0078 0.0014 -0.0155 8367 SER 3 N 0.0106 0.0030 -0.0097 8368 SER 3 CA 0.0110 0.0033 -0.0062 8369 SER 3 C 0.0107 0.0032 -0.0047 8370 SER 3 O 0.0102 0.0029 -0.0065 8371 SER 3 CB 0.0141 0.0048 -0.0054 8372 SER 3 OG 0.0145 0.0049 -0.0072 8373 SER 3 H 0.0118 0.0035 -0.0110 8374 SER 3 HA 0.0093 0.0025 -0.0051 8375 SER 3 HB2 0.0158 0.0056 -0.0061 8376 SER 3 HB3 0.0142 0.0049 -0.0028 8377 SER 3 HG 0.0134 0.0043 -0.0092 8378 MET 4 N 0.0111 0.0035 -0.0015 8379 MET 4 CA 0.0109 0.0035 0.0002 8380 MET 4 C 0.0079 0.0021 -0.0003 8381 MET 4 O 0.0077 0.0019 -0.0022 8382 MET 4 CB 0.0135 0.0047 -0.0009 8383 MET 4 CG 0.0162 0.0060 0.0014 8384 MET 4 SD 0.0193 0.0074 -0.0002 8385 MET 4 CE 0.0179 0.0068 0.0002 8386 MET 4 H 0.0115 0.0038 -0.0002 8387 MET 4 HA 0.0111 0.0037 0.0028 8388 MET 4 HB2 0.0142 0.0049 -0.0033 8389 MET 4 HB3 0.0126 0.0043 -0.0009 8390 MET 4 HG2 0.0155 0.0058 0.0038 8391 MET 4 HG3 0.0169 0.0063 0.0017 8392 MET 4 HE1 0.0158 0.0058 -0.0012 8393 MET 4 HE2 0.0195 0.0075 -0.0007 8394 MET 4 HE3 0.0173 0.0066 0.0028 8395 ARG 5 N 0.0056 0.0011 0.0013 8396 ARG 5 CA 0.0026 -0.0004 0.0010 8397 ARG 5 C 0.0025 -0.0004 0.0028 8398 ARG 5 O 0.0036 0.0003 0.0056 8399 ARG 5 CB 0.0002 -0.0014 0.0022 8400 ARG 5 CG 0.0000 -0.0016 0.0002 8401 ARG 5 CD 0.0022 -0.0005 0.0013 8402 ARG 5 NE 0.0023 -0.0006 -0.0009 8403 ARG 5 CZ 0.0039 0.0002 -0.0002 8404 ARG 5 NH1 0.0055 0.0010 0.0025 8405 ARG 5 NH2 0.0038 0.0001 -0.0023 8406 ARG 5 H 0.0059 0.0012 0.0028 8407 ARG 5 HA 0.0023 -0.0006 -0.0016 8408 ARG 5 HB2 0.0008 -0.0011 0.0047 8409 ARG 5 HB3 -0.0019 -0.0024 0.0022 8410 ARG 5 HG2 -0.0022 -0.0027 0.0005 8411 ARG 5 HG3 0.0005 -0.0015 -0.0024 8412 ARG 5 HD2 0.0044 0.0005 0.0013 8413 ARG 5 HD3 0.0016 -0.0007 0.0038 8414 ARG 5 HE 0.0011 -0.0012 -0.0029 8415 ARG 5 HH11 0.0056 0.0011 0.0041 8416 ARG 5 HH12 0.0066 0.0016 0.0030 8417 ARG 5 HH21 0.0026 -0.0006 -0.0044 8418 ARG 5 HH22 0.0049 0.0006 -0.0018 8419 PRO 6 N 0.0012 -0.0010 0.0014 8420 PRO 6 CA 0.0010 -0.0011 0.0029 8421 PRO 6 C -0.0018 -0.0023 0.0051 8422 PRO 6 O -0.0043 -0.0035 0.0040 8423 PRO 6 CB 0.0007 -0.0013 -0.0001 8424 PRO 6 CG 0.0008 -0.0014 -0.0031 8425 PRO 6 CD -0.0002 -0.0018 -0.0019 8426 PRO 6 HA 0.0029 -0.0001 0.0043 8427 PRO 6 HB2 -0.0013 -0.0022 0.0001 8428 PRO 6 HB3 0.0026 -0.0004 -0.0002 8429 PRO 6 HG2 -0.0008 -0.0022 -0.0049 8430 PRO 6 HG3 0.0030 -0.0004 -0.0041 8431 PRO 6 HD2 -0.0026 -0.0029 -0.0017 8432 PRO 6 HD3 0.0007 -0.0014 -0.0035 8433 PRO 7 N -0.0027 -0.0037 0.0021 8434 PRO 7 CA -0.0023 -0.0035 0.0017 8435 PRO 7 C -0.0018 -0.0030 0.0014 8436 PRO 7 O -0.0016 -0.0032 0.0010 8437 PRO 7 CB -0.0022 -0.0042 0.0014 8438 PRO 7 CG -0.0026 -0.0047 0.0016 8439 PRO 7 CD -0.0028 -0.0044 0.0019 8440 PRO 7 HA -0.0024 -0.0032 0.0020 8441 PRO 7 HB2 -0.0019 -0.0042 0.0009 8442 PRO 7 HB3 -0.0023 -0.0042 0.0014 8443 PRO 7 HG2 -0.0025 -0.0052 0.0012 8444 PRO 7 HG3 -0.0030 -0.0049 0.0019 8445 PRO 7 HD2 -0.0025 -0.0045 0.0016 8446 PRO 7 HD3 -0.0032 -0.0046 0.0022 8447 ILE 8 N -0.0016 -0.0024 0.0015 8448 ILE 8 CA -0.0011 -0.0019 0.0011 8449 ILE 8 C -0.0007 -0.0021 0.0006 8450 ILE 8 O -0.0007 -0.0020 0.0006 8451 ILE 8 CB -0.0011 -0.0012 0.0015 8452 ILE 8 CG1 -0.0016 -0.0011 0.0021 8453 ILE 8 CG2 -0.0007 -0.0007 0.0013 8454 ILE 8 CD1 -0.0018 -0.0006 0.0025 8455 ILE 8 H -0.0018 -0.0023 0.0017 8456 ILE 8 HA -0.0011 -0.0020 0.0010 8457 ILE 8 HB -0.0011 -0.0011 0.0014 8458 ILE 8 HG12 -0.0017 -0.0010 0.0022 8459 ILE 8 HG13 -0.0019 -0.0016 0.0022 8460 ILE 8 HG21 -0.0004 -0.0007 0.0008 8461 ILE 8 HG22 -0.0007 -0.0002 0.0015 8462 ILE 8 HG23 -0.0008 -0.0008 0.0013 8463 ILE 8 HD11 -0.0014 -0.0001 0.0024 8464 ILE 8 HD12 -0.0019 -0.0008 0.0026 8465 ILE 8 HD13 -0.0020 -0.0004 0.0029 8466 ILE 9 N -0.0004 -0.0023 0.0001 8467 ILE 9 CA -0.0001 -0.0025 -0.0004 8468 ILE 9 C 0.0004 -0.0019 -0.0007 8469 ILE 9 O 0.0007 -0.0016 -0.0009 8470 ILE 9 CB 0.0001 -0.0030 -0.0009 8471 ILE 9 CG1 -0.0003 -0.0035 -0.0006 8472 ILE 9 CG2 0.0004 -0.0034 -0.0014 8473 ILE 9 CD1 -0.0007 -0.0040 -0.0004 8474 ILE 9 H -0.0005 -0.0023 0.0001 8475 ILE 9 HA -0.0002 -0.0028 -0.0004 8476 ILE 9 HB 0.0004 -0.0026 -0.0011 8477 ILE 9 HG12 -0.0005 -0.0032 -0.0003 8478 ILE 9 HG13 -0.0001 -0.0037 -0.0010 8479 ILE 9 HG21 0.0007 -0.0030 -0.0016 8480 ILE 9 HG22 0.0005 -0.0037 -0.0017 8481 ILE 9 HG23 0.0001 -0.0037 -0.0012 8482 ILE 9 HD11 -0.0009 -0.0043 -0.0003 8483 ILE 9 HD12 -0.0009 -0.0037 -0.0001 8484 ILE 9 HD13 -0.0005 -0.0043 -0.0008 8485 ILE 10 N 0.0004 -0.0017 -0.0006 8486 ILE 10 CA 0.0008 -0.0011 -0.0008 8487 ILE 10 C 0.0012 -0.0013 -0.0014 8488 ILE 10 O 0.0012 -0.0020 -0.0016 8489 ILE 10 CB 0.0007 -0.0008 -0.0005 8490 ILE 10 CG1 0.0003 -0.0006 0.0001 8491 ILE 10 CG2 0.0011 -0.0001 -0.0007 8492 ILE 10 CD1 -0.0001 -0.0008 0.0004 8493 ILE 10 H 0.0001 -0.0019 -0.0004 8494 ILE 10 HA 0.0009 -0.0007 -0.0007 8495 ILE 10 HB 0.0007 -0.0012 -0.0007 8496 ILE 10 HG12 0.0004 -0.0000 0.0003 8497 ILE 10 HG13 0.0000 -0.0008 0.0003 8498 ILE 10 HG21 0.0010 0.0002 -0.0004 8499 ILE 10 HG22 0.0013 0.0002 -0.0008 8500 ILE 10 HG23 0.0014 -0.0003 -0.0012 8501 ILE 10 HD11 -0.0003 -0.0013 0.0004 8502 ILE 10 HD12 -0.0003 -0.0005 0.0008 8503 ILE 10 HD13 0.0002 -0.0007 0.0002 8504 HIS 11 N 0.0017 -0.0009 -0.0017 8505 HIS 11 CA 0.0021 -0.0011 -0.0024 8506 HIS 11 C 0.0024 -0.0006 -0.0025 8507 HIS 11 O 0.0026 0.0001 -0.0024 8508 HIS 11 CB 0.0024 -0.0011 -0.0027 8509 HIS 11 CG 0.0028 -0.0013 -0.0033 8510 HIS 11 ND1 0.0033 -0.0008 -0.0037 8511 HIS 11 CD2 0.0029 -0.0019 -0.0037 8512 HIS 11 CE1 0.0036 -0.0012 -0.0042 8513 HIS 11 NE2 0.0034 -0.0018 -0.0042 8514 HIS 11 H 0.0017 -0.0004 -0.0016 8515 HIS 11 HA 0.0020 -0.0016 -0.0025 8516 HIS 11 HB2 0.0021 -0.0014 -0.0026 8517 HIS 11 HB3 0.0025 -0.0006 -0.0026 8518 HIS 11 HD2 0.0026 -0.0023 -0.0035 8519 HIS 11 HE1 0.0040 -0.0010 -0.0046 8520 HIS 11 HE2 0.0035 -0.0021 -0.0046 8521 ARG 12 N 0.0025 -0.0008 -0.0027 8522 ARG 12 CA 0.0028 -0.0004 -0.0028 8523 ARG 12 C 0.0033 -0.0001 -0.0033 8524 ARG 12 O 0.0036 -0.0004 -0.0038 8525 ARG 12 CB 0.0027 -0.0008 -0.0030 8526 ARG 12 CG 0.0030 -0.0003 -0.0030 8527 ARG 12 CD 0.0029 -0.0007 -0.0031 8528 ARG 12 NE 0.0031 -0.0003 -0.0032 8529 ARG 12 CZ 0.0034 -0.0005 -0.0036 8530 ARG 12 NH1 0.0035 -0.0010 -0.0041 8531 ARG 12 NH2 0.0036 -0.0000 -0.0037 8532 ARG 12 H 0.0023 -0.0013 -0.0027 8533 ARG 12 HA 0.0027 0.0001 -0.0025 8534 ARG 12 HB2 0.0024 -0.0010 -0.0026 8535 ARG 12 HB3 0.0029 -0.0011 -0.0034 8536 ARG 12 HG2 0.0033 -0.0001 -0.0034 8537 ARG 12 HG3 0.0028 0.0001 -0.0026 8538 ARG 12 HD2 0.0025 -0.0009 -0.0027 8539 ARG 12 HD3 0.0030 -0.0011 -0.0035 8540 ARG 12 HE 0.0030 0.0001 -0.0029 8541 ARG 12 HH11 0.0034 -0.0013 -0.0040 8542 ARG 12 HH12 0.0038 -0.0011 -0.0044 8543 ARG 12 HH21 0.0035 0.0004 -0.0034 8544 ARG 12 HH22 0.0039 -0.0001 -0.0040 8545 ALA 13 N 0.0037 0.0005 -0.0034 8546 ALA 13 CA 0.0044 0.0009 -0.0039 8547 ALA 13 C 0.0049 0.0011 -0.0043 8548 ALA 13 O 0.0053 0.0018 -0.0043 8549 ALA 13 CB 0.0044 0.0017 -0.0035 8550 ALA 13 H 0.0034 0.0008 -0.0030 8551 ALA 13 HA 0.0045 0.0005 -0.0042 8552 ALA 13 HB1 0.0049 0.0020 -0.0039 8553 ALA 13 HB2 0.0043 0.0021 -0.0032 8554 ALA 13 HB3 0.0041 0.0015 -0.0033 8555 GLY 14 N 0.0048 0.0005 -0.0046 8556 GLY 14 CA 0.0052 0.0007 -0.0049 8557 GLY 14 C 0.0051 0.0011 -0.0045 8558 GLY 14 O 0.0054 0.0012 -0.0048 8559 GLY 14 H 0.0045 0.0000 -0.0045 8560 GLY 14 HA2 0.0052 0.0001 -0.0053 8561 GLY 14 HA3 0.0057 0.0010 -0.0053 8562 LYS 15 N 0.0046 0.0014 -0.0039 8563 LYS 15 CA 0.0044 0.0018 -0.0034 8564 LYS 15 C 0.0037 0.0014 -0.0029 8565 LYS 15 O 0.0035 0.0009 -0.0030 8566 LYS 15 CB 0.0045 0.0027 -0.0030 8567 LYS 15 CG 0.0044 0.0028 -0.0029 8568 LYS 15 CD 0.0044 0.0037 -0.0024 8569 LYS 15 CE 0.0050 0.0043 -0.0027 8570 LYS 15 NZ 0.0050 0.0052 -0.0023 8571 LYS 15 H 0.0044 0.0013 -0.0037 8572 LYS 15 HA 0.0047 0.0018 -0.0037 8573 LYS 15 HB2 0.0041 0.0029 -0.0026 8574 LYS 15 HB3 0.0049 0.0031 -0.0033 8575 LYS 15 HG2 0.0048 0.0027 -0.0034 8576 LYS 15 HG3 0.0040 0.0023 -0.0027 8577 LYS 15 HD2 0.0043 0.0037 -0.0023 8578 LYS 15 HD3 0.0040 0.0037 -0.0020 8579 LYS 15 HE2 0.0050 0.0044 -0.0027 8580 LYS 15 HE3 0.0054 0.0042 -0.0032 8581 LYS 15 HZ1 0.0049 0.0051 -0.0022 8582 LYS 15 HZ2 0.0055 0.0056 -0.0025 8583 LYS 15 HZ3 0.0047 0.0053 -0.0018 8584 LYS 16 N 0.0032 0.0015 -0.0024 8585 LYS 16 CA 0.0025 0.0011 -0.0019 8586 LYS 16 C 0.0022 0.0010 -0.0015 8587 LYS 16 O 0.0024 0.0012 -0.0017 8588 LYS 16 CB 0.0023 0.0016 -0.0014 8589 LYS 16 CG 0.0027 0.0025 -0.0012 8590 LYS 16 CD 0.0024 0.0030 -0.0006 8591 LYS 16 CE 0.0028 0.0039 -0.0006 8592 LYS 16 NZ 0.0025 0.0044 0.0000 8593 LYS 16 H 0.0034 0.0018 -0.0023 8594 LYS 16 HA 0.0025 0.0005 -0.0021 8595 LYS 16 HB2 0.0018 0.0015 -0.0009 8596 LYS 16 HB3 0.0024 0.0014 -0.0016 8597 LYS 16 HG2 0.0032 0.0027 -0.0017 8598 LYS 16 HG3 0.0026 0.0027 -0.0011 8599 LYS 16 HD2 0.0019 0.0030 -0.0002 8600 LYS 16 HD3 0.0023 0.0027 -0.0007 8601 LYS 16 HE2 0.0032 0.0039 -0.0010 8602 LYS 16 HE3 0.0030 0.0041 -0.0007 8603 LYS 16 HZ1 0.0022 0.0046 0.0004 8604 LYS 16 HZ2 0.0028 0.0049 -0.0001 8605 LYS 16 HZ3 0.0021 0.0041 0.0002 8606 TYR 17 N 0.0015 0.0007 -0.0010 8607 TYR 17 CA 0.0011 0.0006 -0.0006 8608 TYR 17 C 0.0010 0.0014 -0.0000 8609 TYR 17 O 0.0006 0.0014 0.0004 8610 TYR 17 CB 0.0005 -0.0001 -0.0004 8611 TYR 17 CG 0.0006 -0.0009 -0.0009 8612 TYR 17 CD1 0.0007 -0.0010 -0.0011 8613 TYR 17 CD2 0.0007 -0.0014 -0.0013 8614 TYR 17 CE1 0.0009 -0.0017 -0.0016 8615 TYR 17 CE2 0.0009 -0.0021 -0.0019 8616 TYR 17 CZ 0.0010 -0.0022 -0.0020 8617 TYR 17 OH 0.0011 -0.0028 -0.0025 8618 TYR 17 H 0.0013 0.0006 -0.0009 8619 TYR 17 HA 0.0014 0.0005 -0.0009 8620 TYR 17 HB2 0.0002 0.0000 0.0000 8621 TYR 17 HB3 0.0002 -0.0003 -0.0002 8622 TYR 17 HD1 0.0006 -0.0006 -0.0008 8623 TYR 17 HD2 0.0007 -0.0013 -0.0012 8624 TYR 17 HE1 0.0009 -0.0018 -0.0017 8625 TYR 17 HE2 0.0010 -0.0025 -0.0022 8626 TYR 17 HH 0.0013 -0.0031 -0.0028 8627 GLY 18 N 0.0013 0.0020 -0.0000 8628 GLY 18 CA 0.0012 0.0028 0.0004 8629 GLY 18 C 0.0006 0.0029 0.0012 8630 GLY 18 O 0.0004 0.0033 0.0016 8631 GLY 18 H 0.0016 0.0019 -0.0004 8632 GLY 18 HA2 0.0015 0.0032 0.0003 8633 GLY 18 HA3 0.0014 0.0031 0.0004 8634 PHE 19 N -0.0012 0.0012 0.0019 8635 PHE 19 CA -0.0013 0.0012 0.0025 8636 PHE 19 C -0.0013 0.0013 0.0025 8637 PHE 19 O -0.0013 0.0011 0.0021 8638 PHE 19 CB -0.0017 0.0007 0.0027 8639 PHE 19 CG -0.0020 0.0003 0.0024 8640 PHE 19 CD1 -0.0020 0.0001 0.0019 8641 PHE 19 CD2 -0.0022 0.0001 0.0028 8642 PHE 19 CE1 -0.0023 -0.0003 0.0016 8643 PHE 19 CE2 -0.0025 -0.0003 0.0026 8644 PHE 19 CZ -0.0025 -0.0005 0.0020 8645 PHE 19 H -0.0011 0.0012 0.0015 8646 PHE 19 HA -0.0012 0.0015 0.0027 8647 PHE 19 HB2 -0.0018 0.0008 0.0031 8648 PHE 19 HB3 -0.0018 0.0007 0.0026 8649 PHE 19 HD1 -0.0019 0.0002 0.0016 8650 PHE 19 HD2 -0.0022 0.0003 0.0032 8651 PHE 19 HE1 -0.0023 -0.0005 0.0012 8652 PHE 19 HE2 -0.0026 -0.0004 0.0028 8653 PHE 19 HZ -0.0027 -0.0008 0.0018 8654 THR 20 N -0.0013 0.0015 0.0030 8655 THR 20 CA -0.0012 0.0016 0.0031 8656 THR 20 C -0.0016 0.0012 0.0034 8657 THR 20 O -0.0018 0.0011 0.0039 8658 THR 20 CB -0.0010 0.0021 0.0035 8659 THR 20 OG1 -0.0006 0.0024 0.0033 8660 THR 20 CG2 -0.0009 0.0022 0.0037 8661 THR 20 H -0.0013 0.0016 0.0033 8662 THR 20 HA -0.0011 0.0016 0.0027 8663 THR 20 HB -0.0011 0.0020 0.0039 8664 THR 20 HG1 -0.0007 0.0023 0.0030 8665 THR 20 HG21 -0.0007 0.0023 0.0033 8666 THR 20 HG22 -0.0011 0.0019 0.0038 8667 THR 20 HG23 -0.0008 0.0025 0.0041 8668 LEU 21 N -0.0017 0.0009 0.0031 8669 LEU 21 CA -0.0020 0.0005 0.0033 8670 LEU 21 C -0.0020 0.0007 0.0037 8671 LEU 21 O -0.0019 0.0007 0.0034 8672 LEU 21 CB -0.0022 0.0001 0.0029 8673 LEU 21 CG -0.0026 -0.0004 0.0030 8674 LEU 21 CD1 -0.0028 -0.0004 0.0036 8675 LEU 21 CD2 -0.0028 -0.0007 0.0025 8676 LEU 21 H -0.0016 0.0010 0.0027 8677 LEU 21 HA -0.0022 0.0004 0.0036 8678 LEU 21 HB2 -0.0021 0.0001 0.0025 8679 LEU 21 HB3 -0.0021 0.0002 0.0027 8680 LEU 21 HG -0.0028 -0.0005 0.0031 8681 LEU 21 HD11 -0.0031 -0.0008 0.0037 8682 LEU 21 HD12 -0.0027 -0.0003 0.0035 8683 LEU 21 HD13 -0.0027 -0.0002 0.0039 8684 LEU 21 HD21 -0.0027 -0.0006 0.0025 8685 LEU 21 HD22 -0.0031 -0.0011 0.0026 8686 LEU 21 HD23 -0.0027 -0.0007 0.0021 8687 ARG 22 N -0.0020 0.0009 0.0042 8688 ARG 22 CA -0.0019 0.0011 0.0046 8689 ARG 22 C -0.0022 0.0007 0.0048 8690 ARG 22 O -0.0025 0.0004 0.0049 8691 ARG 22 CB -0.0018 0.0015 0.0051 8692 ARG 22 CG -0.0014 0.0020 0.0052 8693 ARG 22 CD -0.0011 0.0022 0.0046 8694 ARG 22 NE -0.0007 0.0027 0.0048 8695 ARG 22 CZ -0.0004 0.0030 0.0043 8696 ARG 22 NH1 -0.0004 0.0028 0.0038 8697 ARG 22 NH2 -0.0001 0.0035 0.0045 8698 ARG 22 H -0.0020 0.0010 0.0044 8699 ARG 22 HA -0.0017 0.0014 0.0043 8700 ARG 22 HB2 -0.0018 0.0015 0.0051 8701 ARG 22 HB3 -0.0020 0.0013 0.0055 8702 ARG 22 HG2 -0.0013 0.0022 0.0056 8703 ARG 22 HG3 -0.0014 0.0020 0.0052 8704 ARG 22 HD2 -0.0011 0.0021 0.0043 8705 ARG 22 HD3 -0.0011 0.0021 0.0045 8706 ARG 22 HE -0.0007 0.0029 0.0052 8707 ARG 22 HH11 -0.0007 0.0025 0.0037 8708 ARG 22 HH12 -0.0002 0.0031 0.0035 8709 ARG 22 HH21 -0.0001 0.0036 0.0049 8710 ARG 22 HH22 0.0001 0.0037 0.0042 8711 ALA 23 N -0.0022 0.0008 0.0048 8712 ALA 23 CA -0.0025 0.0005 0.0050 8713 ALA 23 C -0.0025 0.0006 0.0056 8714 ALA 23 O -0.0023 0.0010 0.0058 8715 ALA 23 CB -0.0024 0.0005 0.0046 8716 ALA 23 H -0.0019 0.0011 0.0047 8717 ALA 23 HA -0.0027 0.0001 0.0049 8718 ALA 23 HB1 -0.0022 0.0008 0.0047 8719 ALA 23 HB2 -0.0023 0.0005 0.0042 8720 ALA 23 HB3 -0.0027 0.0001 0.0046 8721 ILE 24 N -0.0029 0.0002 0.0059 8722 ILE 24 CA -0.0030 0.0003 0.0065 8723 ILE 24 C -0.0033 -0.0001 0.0066 8724 ILE 24 O -0.0035 -0.0005 0.0064 8725 ILE 24 CB -0.0031 0.0003 0.0069 8726 ILE 24 CG1 -0.0033 -0.0001 0.0068 8727 ILE 24 CG2 -0.0027 0.0008 0.0070 8728 ILE 24 CD1 -0.0035 -0.0002 0.0073 8729 ILE 24 H -0.0031 -0.0001 0.0057 8730 ILE 24 HA -0.0027 0.0007 0.0066 8731 ILE 24 HB -0.0032 0.0003 0.0074 8732 ILE 24 HG12 -0.0032 -0.0001 0.0064 8733 ILE 24 HG13 -0.0036 -0.0004 0.0067 8734 ILE 24 HG21 -0.0025 0.0011 0.0071 8735 ILE 24 HG22 -0.0028 0.0008 0.0072 8736 ILE 24 HG23 -0.0026 0.0008 0.0065 8737 ILE 24 HD11 -0.0037 -0.0003 0.0076 8738 ILE 24 HD12 -0.0037 -0.0005 0.0071 8739 ILE 24 HD13 -0.0033 0.0001 0.0074 8740 ARG 25 N -0.0003 -0.0021 0.0052 8741 ARG 25 CA -0.0006 -0.0002 0.0029 8742 ARG 25 C 0.0000 -0.0007 0.0027 8743 ARG 25 O 0.0023 -0.0020 0.0020 8744 ARG 25 CB 0.0012 0.0001 0.0003 8745 ARG 25 CG 0.0011 0.0001 0.0004 8746 ARG 25 CD 0.0026 0.0007 -0.0024 8747 ARG 25 NE 0.0039 -0.0005 -0.0021 8748 ARG 25 CZ 0.0053 -0.0003 -0.0042 8749 ARG 25 NH1 0.0057 0.0012 -0.0067 8750 ARG 25 NH2 0.0065 -0.0015 -0.0038 8751 ARG 25 H 0.0014 -0.0036 0.0053 8752 ARG 25 HA -0.0025 0.0013 0.0030 8753 ARG 25 HB2 0.0031 -0.0012 -0.0002 8754 ARG 25 HB3 0.0006 0.0017 -0.0014 8755 ARG 25 HG2 -0.0009 0.0013 0.0009 8756 ARG 25 HG3 0.0019 -0.0016 0.0018 8757 ARG 25 HD2 0.0041 0.0003 -0.0035 8758 ARG 25 HD3 0.0014 0.0025 -0.0035 8759 ARG 25 HE 0.0036 -0.0015 -0.0003 8760 ARG 25 HH11 0.0048 0.0022 -0.0071 8761 ARG 25 HH12 0.0068 0.0014 -0.0083 8762 ARG 25 HH21 0.0062 -0.0026 -0.0019 8763 ARG 25 HH22 0.0076 -0.0013 -0.0054 8764 VAL 26 N -0.0019 0.0004 0.0035 8765 VAL 26 CA -0.0016 0.0002 0.0034 8766 VAL 26 C -0.0012 0.0018 0.0006 8767 VAL 26 O -0.0028 0.0039 -0.0004 8768 VAL 26 CB -0.0038 0.0006 0.0055 8769 VAL 26 CG1 -0.0037 -0.0014 0.0084 8770 VAL 26 CG2 -0.0063 0.0027 0.0055 8771 VAL 26 H -0.0036 0.0014 0.0041 8772 VAL 26 HA 0.0001 -0.0015 0.0039 8773 VAL 26 HB -0.0037 0.0009 0.0050 8774 VAL 26 HG11 -0.0053 -0.0011 0.0098 8775 VAL 26 HG12 -0.0038 -0.0018 0.0089 8776 VAL 26 HG13 -0.0020 -0.0029 0.0084 8777 VAL 26 HG21 -0.0079 0.0030 0.0070 8778 VAL 26 HG22 -0.0064 0.0042 0.0035 8779 VAL 26 HG23 -0.0065 0.0025 0.0061 8780 TYR 27 N 0.0011 0.0009 -0.0008 8781 TYR 27 CA 0.0016 0.0023 -0.0035 8782 TYR 27 C 0.0005 0.0031 -0.0032 8783 TYR 27 O 0.0003 0.0019 -0.0013 8784 TYR 27 CB 0.0045 0.0010 -0.0050 8785 TYR 27 CG 0.0056 0.0010 -0.0064 8786 TYR 27 CD1 0.0055 0.0002 -0.0050 8787 TYR 27 CD2 0.0069 0.0019 -0.0092 8788 TYR 27 CE1 0.0066 0.0002 -0.0063 8789 TYR 27 CE2 0.0080 0.0019 -0.0106 8790 TYR 27 CZ 0.0078 0.0011 -0.0091 8791 TYR 27 OH 0.0089 0.0011 -0.0104 8792 TYR 27 H 0.0024 -0.0008 0.0001 8793 TYR 27 HA 0.0008 0.0037 -0.0045 8794 TYR 27 HB2 0.0054 -0.0008 -0.0036 8795 TYR 27 HB3 0.0049 0.0017 -0.0065 8796 TYR 27 HD1 0.0045 -0.0005 -0.0028 8797 TYR 27 HD2 0.0070 0.0026 -0.0104 8798 TYR 27 HE1 0.0064 -0.0005 -0.0051 8799 TYR 27 HE2 0.0090 0.0026 -0.0127 8800 TYR 27 HH 0.0085 0.0025 -0.0120 8801 MET 28 N -0.0003 0.0051 -0.0052 8802 MET 28 CA -0.0014 0.0061 -0.0053 8803 MET 28 C 0.0007 0.0053 -0.0066 8804 MET 28 O 0.0009 0.0066 -0.0088 8805 MET 28 CB -0.0033 0.0087 -0.0068 8806 MET 28 CG -0.0052 0.0096 -0.0057 8807 MET 28 SD -0.0076 0.0126 -0.0073 8808 MET 28 CE -0.0095 0.0131 -0.0056 8809 MET 28 H -0.0000 0.0060 -0.0067 8810 MET 28 HA -0.0024 0.0055 -0.0032 8811 MET 28 HB2 -0.0022 0.0093 -0.0088 8812 MET 28 HB3 -0.0042 0.0093 -0.0066 8813 MET 28 HG2 -0.0062 0.0089 -0.0036 8814 MET 28 HG3 -0.0043 0.0091 -0.0061 8815 MET 28 HE1 -0.0084 0.0125 -0.0061 8816 MET 28 HE2 -0.0103 0.0122 -0.0035 8817 MET 28 HE3 -0.0111 0.0149 -0.0064 8818 GLY 29 N 0.0023 0.0030 -0.0054 8819 GLY 29 CA 0.0044 0.0021 -0.0065 8820 GLY 29 C 0.0065 0.0020 -0.0089 8821 GLY 29 O 0.0072 0.0014 -0.0088 8822 GLY 29 H 0.0021 0.0021 -0.0037 8823 GLY 29 HA2 0.0052 0.0003 -0.0049 8824 GLY 29 HA3 0.0038 0.0030 -0.0071 8825 ASP 30 N 0.0075 0.0027 -0.0111 8826 ASP 30 CA 0.0095 0.0027 -0.0135 8827 ASP 30 C 0.0082 0.0050 -0.0154 8828 ASP 30 O 0.0079 0.0066 -0.0171 8829 ASP 30 CB 0.0113 0.0022 -0.0150 8830 ASP 30 CG 0.0135 0.0021 -0.0174 8831 ASP 30 OD1 0.0148 0.0008 -0.0171 8832 ASP 30 OD2 0.0139 0.0033 -0.0197 8833 ASP 30 H 0.0069 0.0032 -0.0110 8834 ASP 30 HA 0.0105 0.0015 -0.0129 8835 ASP 30 HB2 0.0121 0.0006 -0.0136 8836 ASP 30 HB3 0.0103 0.0036 -0.0157 8837 SER 31 N 0.0070 0.0019 -0.0178 8838 SER 31 CA 0.0058 0.0039 -0.0195 8839 SER 31 C 0.0063 0.0031 -0.0189 8840 SER 31 O 0.0070 0.0013 -0.0167 8841 SER 31 CB 0.0029 0.0060 -0.0185 8842 SER 31 OG 0.0018 0.0053 -0.0153 8843 SER 31 H 0.0075 0.0005 -0.0161 8844 SER 31 HA 0.0066 0.0044 -0.0220 8845 SER 31 HB2 0.0019 0.0074 -0.0195 8846 SER 31 HB3 0.0025 0.0068 -0.0194 8847 SER 31 HG 0.0013 0.0053 -0.0145 8848 ASP 32 N 0.0059 0.0045 -0.0209 8849 ASP 32 CA 0.0063 0.0039 -0.0205 8850 ASP 32 C 0.0040 0.0048 -0.0182 8851 ASP 32 O 0.0041 0.0041 -0.0169 8852 ASP 32 CB 0.0069 0.0050 -0.0236 8853 ASP 32 CG 0.0075 0.0044 -0.0235 8854 ASP 32 OD1 0.0094 0.0022 -0.0228 8855 ASP 32 OD2 0.0060 0.0060 -0.0241 8856 ASP 32 H 0.0053 0.0059 -0.0226 8857 ASP 32 HA 0.0079 0.0020 -0.0197 8858 ASP 32 HB2 0.0085 0.0043 -0.0253 8859 ASP 32 HB3 0.0052 0.0069 -0.0245 8860 VAL 33 N 0.0018 0.0065 -0.0175 8861 VAL 33 CA -0.0006 0.0075 -0.0153 8862 VAL 33 C -0.0006 0.0059 -0.0120 8863 VAL 33 O 0.0002 0.0047 -0.0112 8864 VAL 33 CB -0.0029 0.0100 -0.0159 8865 VAL 33 CG1 -0.0029 0.0098 -0.0156 8866 VAL 33 CG2 -0.0054 0.0112 -0.0138 8867 VAL 33 H 0.0019 0.0069 -0.0185 8868 VAL 33 HA -0.0007 0.0078 -0.0157 8869 VAL 33 HB -0.0029 0.0112 -0.0183 8870 VAL 33 HG11 -0.0047 0.0115 -0.0157 8871 VAL 33 HG12 -0.0027 0.0084 -0.0133 8872 VAL 33 HG13 -0.0013 0.0092 -0.0174 8873 VAL 33 HG21 -0.0071 0.0128 -0.0140 8874 VAL 33 HG22 -0.0056 0.0117 -0.0144 8875 VAL 33 HG23 -0.0054 0.0099 -0.0114 8876 TYR 34 N -0.0016 0.0057 -0.0101 8877 TYR 34 CA -0.0018 0.0042 -0.0068 8878 TYR 34 C -0.0041 0.0053 -0.0049 8879 TYR 34 O -0.0050 0.0068 -0.0061 8880 TYR 34 CB 0.0007 0.0017 -0.0063 8881 TYR 34 CG 0.0013 0.0017 -0.0074 8882 TYR 34 CD1 0.0003 0.0016 -0.0054 8883 TYR 34 CD2 0.0029 0.0018 -0.0103 8884 TYR 34 CE1 0.0008 0.0016 -0.0064 8885 TYR 34 CE2 0.0034 0.0018 -0.0113 8886 TYR 34 CZ 0.0024 0.0017 -0.0093 8887 TYR 34 OH 0.0030 0.0016 -0.0103 8888 TYR 34 H -0.0022 0.0067 -0.0108 8889 TYR 34 HA -0.0020 0.0041 -0.0061 8890 TYR 34 HB2 0.0005 0.0006 -0.0039 8891 TYR 34 HB3 0.0023 0.0009 -0.0076 8892 TYR 34 HD1 -0.0010 0.0015 -0.0031 8893 TYR 34 HD2 0.0037 0.0019 -0.0119 8894 TYR 34 HE1 0.0000 0.0015 -0.0048 8895 TYR 34 HE2 0.0047 0.0018 -0.0136 8896 TYR 34 HH 0.0024 0.0031 -0.0120 8897 THR 35 N -0.0051 0.0047 -0.0019 8898 THR 35 CA -0.0073 0.0057 0.0001 8899 THR 35 C -0.0064 0.0038 0.0022 8900 THR 35 O -0.0050 0.0017 0.0037 8901 THR 35 CB -0.0093 0.0065 0.0021 8902 THR 35 OG1 -0.0086 0.0064 0.0011 8903 THR 35 CG2 -0.0120 0.0091 0.0019 8904 THR 35 H -0.0043 0.0036 -0.0011 8905 THR 35 HA -0.0081 0.0072 -0.0013 8906 THR 35 HB -0.0093 0.0053 0.0045 8907 THR 35 HG1 -0.0096 0.0065 0.0026 8908 THR 35 HG21 -0.0119 0.0103 -0.0005 8909 THR 35 HG22 -0.0125 0.0091 0.0027 8910 THR 35 HG23 -0.0133 0.0096 0.0032 8911 VAL 36 N -0.0072 0.0044 0.0023 8912 VAL 36 CA -0.0064 0.0028 0.0042 8913 VAL 36 C -0.0083 0.0028 0.0075 8914 VAL 36 O -0.0105 0.0045 0.0080 8915 VAL 36 CB -0.0063 0.0033 0.0029 8916 VAL 36 CG1 -0.0046 0.0011 0.0042 8917 VAL 36 CG2 -0.0053 0.0042 -0.0007 8918 VAL 36 H -0.0083 0.0061 0.0011 8919 VAL 36 HA -0.0045 0.0010 0.0043 8920 VAL 36 HB -0.0082 0.0048 0.0035 8921 VAL 36 HG11 -0.0054 0.0005 0.0067 8922 VAL 36 HG12 -0.0047 0.0016 0.0033 8923 VAL 36 HG13 -0.0027 -0.0003 0.0035 8924 VAL 36 HG21 -0.0066 0.0059 -0.0016 8925 VAL 36 HG22 -0.0034 0.0029 -0.0014 8926 VAL 36 HG23 -0.0050 0.0045 -0.0015 8927 HIS 37 N -0.0051 -0.0004 0.0054 8928 HIS 37 CA -0.0051 -0.0005 0.0053 8929 HIS 37 C -0.0048 -0.0001 0.0051 8930 HIS 37 O -0.0045 0.0003 0.0050 8931 HIS 37 CB -0.0053 -0.0006 0.0060 8932 HIS 37 CG -0.0057 -0.0011 0.0062 8933 HIS 37 ND1 -0.0060 -0.0015 0.0059 8934 HIS 37 CD2 -0.0058 -0.0012 0.0068 8935 HIS 37 CE1 -0.0062 -0.0018 0.0063 8936 HIS 37 NE2 -0.0062 -0.0016 0.0069 8937 HIS 37 H -0.0049 -0.0002 0.0057 8938 HIS 37 HA -0.0054 -0.0009 0.0050 8939 HIS 37 HB2 -0.0051 -0.0003 0.0063 8940 HIS 37 HB3 -0.0053 -0.0007 0.0059 8941 HIS 37 HD2 -0.0056 -0.0009 0.0072 8942 HIS 37 HE1 -0.0065 -0.0022 0.0061 8943 HIS 37 HE2 -0.0063 -0.0018 0.0072 8944 HIS 38 N -0.0048 -0.0002 0.0049 8945 HIS 38 CA -0.0045 0.0002 0.0047 8946 HIS 38 C -0.0046 0.0002 0.0049 8947 HIS 38 O -0.0049 -0.0002 0.0051 8948 HIS 38 CB -0.0045 0.0001 0.0040 8949 HIS 38 CG -0.0044 0.0001 0.0037 8950 HIS 38 ND1 -0.0041 0.0006 0.0036 8951 HIS 38 CD2 -0.0047 -0.0002 0.0034 8952 HIS 38 CE1 -0.0041 0.0005 0.0034 8953 HIS 38 NE2 -0.0045 0.0000 0.0032 8954 HIS 38 H -0.0051 -0.0005 0.0051 8955 HIS 38 HA -0.0042 0.0005 0.0048 8956 HIS 38 HB2 -0.0048 -0.0002 0.0038 8957 HIS 38 HB3 -0.0043 0.0004 0.0038 8958 HIS 38 HD2 -0.0050 -0.0006 0.0033 8959 HIS 38 HE1 -0.0039 0.0008 0.0033 8960 HIS 38 HE2 -0.0046 -0.0002 0.0031 8961 MET 39 N -0.0042 0.0006 0.0049 8962 MET 39 CA -0.0042 0.0006 0.0052 8963 MET 39 C -0.0039 0.0010 0.0048 8964 MET 39 O -0.0036 0.0013 0.0046 8965 MET 39 CB -0.0042 0.0008 0.0059 8966 MET 39 CG -0.0045 0.0004 0.0063 8967 MET 39 SD -0.0044 0.0006 0.0071 8968 MET 39 CE -0.0039 0.0013 0.0071 8969 MET 39 H -0.0040 0.0009 0.0048 8970 MET 39 HA -0.0045 0.0002 0.0051 8971 MET 39 HB2 -0.0039 0.0011 0.0059 8972 MET 39 HB3 -0.0042 0.0007 0.0060 8973 MET 39 HG2 -0.0048 0.0001 0.0062 8974 MET 39 HG3 -0.0044 0.0005 0.0061 8975 MET 39 HE1 -0.0039 0.0014 0.0076 8976 MET 39 HE2 -0.0038 0.0014 0.0069 8977 MET 39 HE3 -0.0039 0.0013 0.0069 8978 VAL 40 N -0.0040 0.0009 0.0047 8979 VAL 40 CA -0.0037 0.0012 0.0044 8980 VAL 40 C -0.0034 0.0016 0.0048 8981 VAL 40 O -0.0035 0.0016 0.0053 8982 VAL 40 CB -0.0039 0.0009 0.0042 8983 VAL 40 CG1 -0.0041 0.0007 0.0047 8984 VAL 40 CG2 -0.0036 0.0013 0.0039 8985 VAL 40 H -0.0042 0.0006 0.0049 8986 VAL 40 HA -0.0036 0.0013 0.0040 8987 VAL 40 HB -0.0041 0.0007 0.0038 8988 VAL 40 HG11 -0.0042 0.0006 0.0046 8989 VAL 40 HG12 -0.0040 0.0009 0.0051 8990 VAL 40 HG13 -0.0044 0.0004 0.0048 8991 VAL 40 HG21 -0.0033 0.0016 0.0037 8992 VAL 40 HG22 -0.0035 0.0015 0.0043 8993 VAL 40 HG23 -0.0037 0.0011 0.0036 8994 TRP 41 N -0.0031 0.0020 0.0047 8995 TRP 41 CA -0.0028 0.0025 0.0051 8996 TRP 41 C -0.0026 0.0027 0.0050 8997 TRP 41 O -0.0025 0.0029 0.0054 8998 TRP 41 CB -0.0025 0.0028 0.0049 8999 TRP 41 CG -0.0023 0.0032 0.0054 9000 TRP 41 CD1 -0.0019 0.0036 0.0054 9001 TRP 41 CD2 -0.0025 0.0030 0.0059 9002 TRP 41 NE1 -0.0018 0.0038 0.0059 9003 TRP 41 CE2 -0.0022 0.0034 0.0062 9004 TRP 41 CE3 -0.0028 0.0025 0.0061 9005 TRP 41 CZ2 -0.0022 0.0034 0.0068 9006 TRP 41 CZ3 -0.0029 0.0025 0.0066 9007 TRP 41 CH2 -0.0026 0.0029 0.0070 9008 TRP 41 H -0.0031 0.0020 0.0043 9009 TRP 41 HA -0.0029 0.0024 0.0055 9010 TRP 41 HB2 -0.0026 0.0026 0.0046 9011 TRP 41 HB3 -0.0023 0.0031 0.0045 9012 TRP 41 HD1 -0.0017 0.0039 0.0051 9013 TRP 41 HE1 -0.0016 0.0042 0.0061 9014 TRP 41 HE3 -0.0031 0.0022 0.0058 9015 TRP 41 HZ2 -0.0020 0.0037 0.0071 9016 TRP 41 HZ3 -0.0032 0.0022 0.0068 9017 TRP 41 HH2 -0.0027 0.0029 0.0074 9018 HIS 42 N -0.0025 0.0027 0.0044 9019 HIS 42 CA -0.0024 0.0029 0.0043 9020 HIS 42 C -0.0025 0.0026 0.0037 9021 HIS 42 O -0.0025 0.0026 0.0032 9022 HIS 42 CB -0.0019 0.0034 0.0042 9023 HIS 42 CG -0.0017 0.0037 0.0044 9024 HIS 42 ND1 -0.0015 0.0040 0.0049 9025 HIS 42 CD2 -0.0017 0.0038 0.0041 9026 HIS 42 CE1 -0.0014 0.0043 0.0049 9027 HIS 42 NE2 -0.0015 0.0041 0.0044 9028 HIS 42 H -0.0026 0.0025 0.0041 9029 HIS 42 HA -0.0024 0.0029 0.0047 9030 HIS 42 HB2 -0.0019 0.0036 0.0044 9031 HIS 42 HB3 -0.0019 0.0035 0.0037 9032 HIS 42 HD2 -0.0018 0.0036 0.0037 9033 HIS 42 HE1 -0.0012 0.0045 0.0053 9034 HIS 42 HE2 -0.0014 0.0041 0.0044 9035 VAL 43 N -0.0019 0.0040 0.0030 9036 VAL 43 CA -0.0013 0.0036 0.0024 9037 VAL 43 C -0.0006 0.0043 0.0022 9038 VAL 43 O -0.0007 0.0051 0.0024 9039 VAL 43 CB -0.0016 0.0031 0.0025 9040 VAL 43 CG1 -0.0020 0.0037 0.0030 9041 VAL 43 CG2 -0.0010 0.0027 0.0019 9042 VAL 43 H -0.0021 0.0045 0.0033 9043 VAL 43 HA -0.0011 0.0031 0.0022 9044 VAL 43 HB -0.0021 0.0025 0.0027 9045 VAL 43 HG11 -0.0025 0.0039 0.0034 9046 VAL 43 HG12 -0.0022 0.0033 0.0030 9047 VAL 43 HG13 -0.0016 0.0043 0.0029 9048 VAL 43 HG21 -0.0007 0.0022 0.0016 9049 VAL 43 HG22 -0.0005 0.0033 0.0018 9050 VAL 43 HG23 -0.0012 0.0023 0.0020 9051 GLU 44 N 0.0001 0.0041 0.0016 9052 GLU 44 CA 0.0009 0.0048 0.0013 9053 GLU 44 C 0.0011 0.0048 0.0011 9054 GLU 44 O 0.0012 0.0042 0.0008 9055 GLU 44 CB 0.0015 0.0044 0.0007 9056 GLU 44 CG 0.0015 0.0048 0.0008 9057 GLU 44 CD 0.0019 0.0042 0.0004 9058 GLU 44 OE1 0.0026 0.0041 -0.0001 9059 GLU 44 OE2 0.0014 0.0037 0.0006 9060 GLU 44 H 0.0001 0.0035 0.0014 9061 GLU 44 HA 0.0008 0.0054 0.0015 9062 GLU 44 HB2 0.0013 0.0036 0.0006 9063 GLU 44 HB3 0.0021 0.0046 0.0004 9064 GLU 44 HG2 0.0019 0.0055 0.0008 9065 GLU 44 HG3 0.0009 0.0049 0.0013 9066 ASP 45 N 0.0013 0.0057 0.0013 9067 ASP 45 CA 0.0015 0.0059 0.0012 9068 ASP 45 C 0.0024 0.0060 0.0006 9069 ASP 45 O 0.0028 0.0064 0.0005 9070 ASP 45 CB 0.0012 0.0068 0.0017 9071 ASP 45 CG 0.0016 0.0077 0.0017 9072 ASP 45 OD1 0.0014 0.0076 0.0018 9073 ASP 45 OD2 0.0020 0.0083 0.0016 9074 ASP 45 H 0.0012 0.0062 0.0015 9075 ASP 45 HA 0.0012 0.0053 0.0012 9076 ASP 45 HB2 0.0014 0.0070 0.0016 9077 ASP 45 HB3 0.0006 0.0067 0.0021 9078 GLY 46 N 0.0028 0.0056 0.0002 9079 GLY 46 CA 0.0037 0.0057 -0.0004 9080 GLY 46 C 0.0040 0.0050 -0.0008 9081 GLY 46 O 0.0047 0.0051 -0.0013 9082 GLY 46 H 0.0025 0.0053 0.0003 9083 GLY 46 HA2 0.0039 0.0064 -0.0004 9084 GLY 46 HA3 0.0039 0.0056 -0.0005 9085 GLY 47 N 0.0034 0.0043 -0.0007 9086 GLY 47 CA 0.0037 0.0036 -0.0011 9087 GLY 47 C 0.0031 0.0026 -0.0010 9088 GLY 47 O 0.0030 0.0023 -0.0010 9089 GLY 47 H 0.0029 0.0042 -0.0003 9090 GLY 47 HA2 0.0038 0.0038 -0.0011 9091 GLY 47 HA3 0.0043 0.0034 -0.0015 9092 PRO 48 N 0.0028 0.0022 -0.0009 9093 PRO 48 CA 0.0022 0.0013 -0.0008 9094 PRO 48 C 0.0015 0.0013 -0.0002 9095 PRO 48 O 0.0014 0.0016 -0.0001 9096 PRO 48 CB 0.0021 0.0011 -0.0007 9097 PRO 48 CG 0.0028 0.0016 -0.0010 9098 PRO 48 CD 0.0030 0.0025 -0.0009 9099 PRO 48 HA 0.0025 0.0008 -0.0011 9100 PRO 48 HB2 0.0015 0.0014 -0.0002 9101 PRO 48 HB3 0.0020 0.0004 -0.0008 9102 PRO 48 HG2 0.0027 0.0018 -0.0009 9103 PRO 48 HG3 0.0033 0.0012 -0.0015 9104 PRO 48 HD2 0.0026 0.0030 -0.0005 9105 PRO 48 HD3 0.0036 0.0028 -0.0013 9106 ALA 49 N 0.0010 0.0009 0.0003 9107 ALA 49 CA 0.0003 0.0008 0.0008 9108 ALA 49 C 0.0001 0.0015 0.0010 9109 ALA 49 O -0.0001 0.0014 0.0011 9110 ALA 49 CB -0.0003 0.0006 0.0011 9111 ALA 49 H 0.0010 0.0007 0.0002 9112 ALA 49 HA 0.0003 0.0002 0.0006 9113 ALA 49 HB1 -0.0006 -0.0001 0.0012 9114 ALA 49 HB2 -0.0007 0.0010 0.0015 9115 ALA 49 HB3 -0.0001 0.0005 0.0010 9116 SER 50 N 0.0003 0.0023 0.0010 9117 SER 50 CA 0.0001 0.0030 0.0012 9118 SER 50 C 0.0005 0.0031 0.0010 9119 SER 50 O 0.0002 0.0031 0.0012 9120 SER 50 CB 0.0003 0.0039 0.0013 9121 SER 50 OG -0.0003 0.0042 0.0017 9122 SER 50 H 0.0005 0.0024 0.0009 9123 SER 50 HA -0.0004 0.0030 0.0016 9124 SER 50 HB2 0.0006 0.0038 0.0010 9125 SER 50 HB3 0.0005 0.0044 0.0012 9126 SER 50 HG -0.0008 0.0039 0.0020 9127 GLU 51 N 0.0012 0.0032 0.0005 9128 GLU 51 CA 0.0017 0.0032 0.0002 9129 GLU 51 C 0.0016 0.0024 0.0001 9130 GLU 51 O 0.0017 0.0024 0.0000 9131 GLU 51 CB 0.0025 0.0034 -0.0003 9132 GLU 51 CG 0.0026 0.0042 -0.0003 9133 GLU 51 CD 0.0032 0.0048 -0.0006 9134 GLU 51 OE1 0.0038 0.0046 -0.0011 9135 GLU 51 OE2 0.0031 0.0054 -0.0005 9136 GLU 51 H 0.0014 0.0032 0.0003 9137 GLU 51 HA 0.0015 0.0038 0.0004 9138 GLU 51 HB2 0.0026 0.0029 -0.0005 9139 GLU 51 HB3 0.0028 0.0035 -0.0005 9140 GLU 51 HG2 0.0021 0.0045 0.0001 9141 GLU 51 HG3 0.0027 0.0039 -0.0004 9142 ALA 52 N 0.0013 0.0017 0.0002 9143 ALA 52 CA 0.0012 0.0009 0.0002 9144 ALA 52 C 0.0005 0.0009 0.0006 9145 ALA 52 O 0.0004 0.0005 0.0006 9146 ALA 52 CB 0.0010 0.0002 0.0001 9147 ALA 52 H 0.0012 0.0018 0.0003 9148 ALA 52 HA 0.0016 0.0008 -0.0002 9149 ALA 52 HB1 0.0005 0.0001 0.0005 9150 ALA 52 HB2 0.0013 0.0004 -0.0000 9151 ALA 52 HB3 0.0012 -0.0004 -0.0001 9152 GLY 53 N 0.0000 0.0015 0.0010 9153 GLY 53 CA -0.0006 0.0016 0.0015 9154 GLY 53 C -0.0013 0.0016 0.0020 9155 GLY 53 O -0.0018 0.0018 0.0024 9156 GLY 53 H 0.0001 0.0019 0.0010 9157 GLY 53 HA2 -0.0005 0.0021 0.0015 9158 GLY 53 HA3 -0.0007 0.0010 0.0014 9159 LEU 54 N -0.0012 0.0014 0.0019 9160 LEU 54 CA -0.0018 0.0014 0.0023 9161 LEU 54 C -0.0020 0.0023 0.0026 9162 LEU 54 O -0.0016 0.0028 0.0024 9163 LEU 54 CB -0.0017 0.0009 0.0022 9164 LEU 54 CG -0.0024 0.0005 0.0025 9165 LEU 54 CD1 -0.0022 0.0000 0.0023 9166 LEU 54 CD2 -0.0029 0.0011 0.0030 9167 LEU 54 H -0.0008 0.0012 0.0016 9168 LEU 54 HA -0.0023 0.0010 0.0026 9169 LEU 54 HB2 -0.0013 0.0005 0.0018 9170 LEU 54 HB3 -0.0015 0.0014 0.0021 9171 LEU 54 HG -0.0026 -0.0000 0.0026 9172 LEU 54 HD11 -0.0018 -0.0005 0.0020 9173 LEU 54 HD12 -0.0027 -0.0002 0.0026 9174 LEU 54 HD13 -0.0019 0.0005 0.0022 9175 LEU 54 HD21 -0.0027 0.0015 0.0030 9176 LEU 54 HD22 -0.0034 0.0007 0.0033 9177 LEU 54 HD23 -0.0030 0.0014 0.0032 9178 ARG 55 N -0.0028 0.0011 0.0000 9179 ARG 55 CA -0.0032 0.0017 0.0000 9180 ARG 55 C -0.0037 0.0018 0.0006 9181 ARG 55 O -0.0038 0.0015 0.0010 9182 ARG 55 CB -0.0031 0.0017 -0.0000 9183 ARG 55 CG -0.0031 0.0011 0.0004 9184 ARG 55 CD -0.0036 0.0013 0.0009 9185 ARG 55 NE -0.0038 0.0017 0.0007 9186 ARG 55 CZ -0.0039 0.0017 0.0010 9187 ARG 55 NH1 -0.0038 0.0012 0.0014 9188 ARG 55 NH2 -0.0041 0.0021 0.0008 9189 ARG 55 H -0.0027 0.0008 0.0002 9190 ARG 55 HA -0.0032 0.0020 -0.0004 9191 ARG 55 HB2 -0.0035 0.0020 0.0000 9192 ARG 55 HB3 -0.0028 0.0017 -0.0005 9193 ARG 55 HG2 -0.0028 0.0010 0.0002 9194 ARG 55 HG3 -0.0030 0.0008 0.0006 9195 ARG 55 HD2 -0.0035 0.0009 0.0012 9196 ARG 55 HD3 -0.0038 0.0014 0.0011 9197 ARG 55 HE -0.0038 0.0021 0.0004 9198 ARG 55 HH11 -0.0037 0.0009 0.0015 9199 ARG 55 HH12 -0.0039 0.0012 0.0015 9200 ARG 55 HH21 -0.0041 0.0025 0.0005 9201 ARG 55 HH22 -0.0042 0.0021 0.0010 9202 GLN 56 N -0.0040 0.0023 0.0005 9203 GLN 56 CA -0.0044 0.0025 0.0009 9204 GLN 56 C -0.0047 0.0024 0.0014 9205 GLN 56 O -0.0047 0.0025 0.0013 9206 GLN 56 CB -0.0047 0.0031 0.0007 9207 GLN 56 CG -0.0051 0.0033 0.0011 9208 GLN 56 CD -0.0053 0.0039 0.0008 9209 GLN 56 OE1 -0.0050 0.0040 0.0004 9210 GLN 56 NE2 -0.0058 0.0043 0.0011 9211 GLN 56 H -0.0038 0.0026 0.0001 9212 GLN 56 HA -0.0044 0.0022 0.0011 9213 GLN 56 HB2 -0.0045 0.0032 0.0003 9214 GLN 56 HB3 -0.0048 0.0034 0.0006 9215 GLN 56 HG2 -0.0054 0.0034 0.0014 9216 GLN 56 HG3 -0.0051 0.0030 0.0014 9217 GLN 56 HE21 -0.0060 0.0042 0.0015 9218 GLN 56 HE22 -0.0059 0.0046 0.0009 9219 GLY 57 N -0.0050 0.0023 0.0019 9220 GLY 57 CA -0.0053 0.0022 0.0024 9221 GLY 57 C -0.0050 0.0016 0.0026 9222 GLY 57 O -0.0052 0.0015 0.0030 9223 GLY 57 H -0.0050 0.0022 0.0020 9224 GLY 57 HA2 -0.0056 0.0023 0.0028 9225 GLY 57 HA3 -0.0054 0.0025 0.0022 9226 ASP 58 N -0.0046 0.0012 0.0024 9227 ASP 58 CA -0.0043 0.0006 0.0026 9228 ASP 58 C -0.0044 0.0002 0.0031 9229 ASP 58 O -0.0045 0.0003 0.0032 9230 ASP 58 CB -0.0038 0.0003 0.0021 9231 ASP 58 CG -0.0035 -0.0001 0.0021 9232 ASP 58 OD1 -0.0036 -0.0003 0.0025 9233 ASP 58 OD2 -0.0031 -0.0002 0.0016 9234 ASP 58 H -0.0045 0.0013 0.0021 9235 ASP 58 HA -0.0044 0.0006 0.0027 9236 ASP 58 HB2 -0.0037 0.0007 0.0017 9237 ASP 58 HB3 -0.0036 0.0001 0.0022 9238 LEU 59 N -0.0044 -0.0002 0.0035 9239 LEU 59 CA -0.0045 -0.0006 0.0040 9240 LEU 59 C -0.0041 -0.0011 0.0039 9241 LEU 59 O -0.0037 -0.0014 0.0037 9242 LEU 59 CB -0.0048 -0.0007 0.0045 9243 LEU 59 CG -0.0047 -0.0013 0.0050 9244 LEU 59 CD1 -0.0051 -0.0012 0.0055 9245 LEU 59 CD2 -0.0048 -0.0016 0.0053 9246 LEU 59 H -0.0043 -0.0002 0.0034 9247 LEU 59 HA -0.0047 -0.0003 0.0041 9248 LEU 59 HB2 -0.0051 -0.0004 0.0047 9249 LEU 59 HB3 -0.0046 -0.0008 0.0044 9250 LEU 59 HG -0.0044 -0.0016 0.0049 9251 LEU 59 HD11 -0.0051 -0.0010 0.0052 9252 LEU 59 HD12 -0.0051 -0.0016 0.0058 9253 LEU 59 HD13 -0.0054 -0.0008 0.0056 9254 LEU 59 HD21 -0.0051 -0.0012 0.0055 9255 LEU 59 HD22 -0.0048 -0.0019 0.0057 9256 LEU 59 HD23 -0.0044 -0.0017 0.0051 9257 ILE 60 N -0.0041 -0.0013 0.0041 9258 ILE 60 CA -0.0037 -0.0018 0.0041 9259 ILE 60 C -0.0037 -0.0023 0.0046 9260 ILE 60 O -0.0040 -0.0023 0.0051 9261 ILE 60 CB -0.0037 -0.0017 0.0040 9262 ILE 60 CG1 -0.0036 -0.0012 0.0034 9263 ILE 60 CG2 -0.0033 -0.0023 0.0040 9264 ILE 60 CD1 -0.0040 -0.0006 0.0034 9265 ILE 60 H -0.0044 -0.0011 0.0043 9266 ILE 60 HA -0.0034 -0.0018 0.0037 9267 ILE 60 HB -0.0040 -0.0016 0.0043 9268 ILE 60 HG12 -0.0035 -0.0013 0.0033 9269 ILE 60 HG13 -0.0033 -0.0013 0.0031 9270 ILE 60 HG21 -0.0033 -0.0022 0.0039 9271 ILE 60 HG22 -0.0029 -0.0024 0.0036 9272 ILE 60 HG23 -0.0033 -0.0026 0.0044 9273 ILE 60 HD11 -0.0043 -0.0006 0.0038 9274 ILE 60 HD12 -0.0041 -0.0005 0.0035 9275 ILE 60 HD13 -0.0040 -0.0003 0.0030 9276 THR 61 N -0.0036 -0.0025 0.0040 9277 THR 61 CA -0.0038 -0.0031 0.0043 9278 THR 61 C -0.0037 -0.0035 0.0039 9279 THR 61 O -0.0038 -0.0038 0.0041 9280 THR 61 CB -0.0039 -0.0034 0.0045 9281 THR 61 OG1 -0.0037 -0.0037 0.0040 9282 THR 61 CG2 -0.0040 -0.0030 0.0048 9283 THR 61 H -0.0035 -0.0026 0.0037 9284 THR 61 HA -0.0039 -0.0029 0.0047 9285 THR 61 HB -0.0040 -0.0038 0.0047 9286 THR 61 HG1 -0.0037 -0.0040 0.0039 9287 THR 61 HG21 -0.0038 -0.0027 0.0045 9288 THR 61 HG22 -0.0041 -0.0028 0.0051 9289 THR 61 HG23 -0.0041 -0.0033 0.0049 9290 HIS 62 N -0.0034 -0.0035 0.0034 9291 HIS 62 CA -0.0033 -0.0039 0.0030 9292 HIS 62 C -0.0030 -0.0036 0.0025 9293 HIS 62 O -0.0029 -0.0032 0.0023 9294 HIS 62 CB -0.0033 -0.0045 0.0029 9295 HIS 62 CG -0.0036 -0.0049 0.0034 9296 HIS 62 ND1 -0.0037 -0.0048 0.0037 9297 HIS 62 CD2 -0.0037 -0.0053 0.0036 9298 HIS 62 CE1 -0.0039 -0.0052 0.0041 9299 HIS 62 NE2 -0.0039 -0.0055 0.0040 9300 HIS 62 H -0.0033 -0.0033 0.0033 9301 HIS 62 HA -0.0034 -0.0040 0.0032 9302 HIS 62 HB2 -0.0032 -0.0044 0.0027 9303 HIS 62 HB3 -0.0032 -0.0048 0.0026 9304 HIS 62 HD2 -0.0037 -0.0054 0.0035 9305 HIS 62 HE1 -0.0040 -0.0053 0.0044 9306 HIS 62 HE2 -0.0040 -0.0058 0.0043 9307 VAL 63 N -0.0029 -0.0038 0.0021 9308 VAL 63 CA -0.0027 -0.0035 0.0016 9309 VAL 63 C -0.0025 -0.0040 0.0012 9310 VAL 63 O -0.0026 -0.0043 0.0013 9311 VAL 63 CB -0.0026 -0.0030 0.0016 9312 VAL 63 CG1 -0.0027 -0.0032 0.0019 9313 VAL 63 CG2 -0.0023 -0.0027 0.0011 9314 VAL 63 H -0.0030 -0.0041 0.0023 9315 VAL 63 HA -0.0026 -0.0034 0.0014 9316 VAL 63 HB -0.0027 -0.0027 0.0019 9317 VAL 63 HG11 -0.0029 -0.0034 0.0023 9318 VAL 63 HG12 -0.0027 -0.0028 0.0019 9319 VAL 63 HG13 -0.0026 -0.0035 0.0016 9320 VAL 63 HG21 -0.0023 -0.0025 0.0011 9321 VAL 63 HG22 -0.0023 -0.0024 0.0010 9322 VAL 63 HG23 -0.0022 -0.0031 0.0008 9323 ASN 64 N -0.0023 -0.0041 0.0007 9324 ASN 64 CA -0.0022 -0.0046 0.0003 9325 ASN 64 C -0.0024 -0.0052 0.0006 9326 ASN 64 O -0.0023 -0.0056 0.0004 9327 ASN 64 CB -0.0021 -0.0045 0.0001 9328 ASN 64 CG -0.0018 -0.0047 -0.0005 9329 ASN 64 OD1 -0.0018 -0.0051 -0.0007 9330 ASN 64 ND2 -0.0017 -0.0045 -0.0008 9331 ASN 64 H -0.0023 -0.0039 0.0007 9332 ASN 64 HA -0.0021 -0.0046 0.0000 9333 ASN 64 HB2 -0.0020 -0.0040 0.0001 9334 ASN 64 HB3 -0.0022 -0.0046 0.0003 9335 ASN 64 HD21 -0.0017 -0.0041 -0.0007 9336 ASN 64 HD22 -0.0015 -0.0046 -0.0012 9337 GLY 65 N -0.0026 -0.0053 0.0010 9338 GLY 65 CA -0.0028 -0.0058 0.0013 9339 GLY 65 C -0.0029 -0.0059 0.0017 9340 GLY 65 O -0.0030 -0.0064 0.0017 9341 GLY 65 H -0.0026 -0.0049 0.0012 9342 GLY 65 HA2 -0.0029 -0.0059 0.0016 9343 GLY 65 HA3 -0.0027 -0.0062 0.0010 9344 GLU 66 N -0.0030 -0.0054 0.0020 9345 GLU 66 CA -0.0032 -0.0054 0.0023 9346 GLU 66 C -0.0033 -0.0050 0.0028 9347 GLU 66 O -0.0032 -0.0044 0.0027 9348 GLU 66 CB -0.0030 -0.0052 0.0020 9349 GLU 66 CG -0.0031 -0.0055 0.0022 9350 GLU 66 CD -0.0032 -0.0061 0.0022 9351 GLU 66 OE1 -0.0034 -0.0064 0.0026 9352 GLU 66 OE2 -0.0030 -0.0064 0.0018 9353 GLU 66 H -0.0030 -0.0051 0.0019 9354 GLU 66 HA -0.0033 -0.0059 0.0025 9355 GLU 66 HB2 -0.0028 -0.0054 0.0015 9356 GLU 66 HB3 -0.0029 -0.0047 0.0020 9357 GLU 66 HG2 -0.0030 -0.0053 0.0019 9358 GLU 66 HG3 -0.0033 -0.0053 0.0026 9359 PRO 67 N -0.0052 -0.0036 0.0024 9360 PRO 67 CA -0.0053 -0.0033 0.0029 9361 PRO 67 C -0.0049 -0.0029 0.0028 9362 PRO 67 O -0.0049 -0.0030 0.0025 9363 PRO 67 CB -0.0057 -0.0037 0.0032 9364 PRO 67 CG -0.0059 -0.0042 0.0029 9365 PRO 67 CD -0.0056 -0.0042 0.0024 9366 PRO 67 HA -0.0053 -0.0032 0.0031 9367 PRO 67 HB2 -0.0056 -0.0037 0.0031 9368 PRO 67 HB3 -0.0058 -0.0036 0.0036 9369 PRO 67 HG2 -0.0060 -0.0045 0.0028 9370 PRO 67 HG3 -0.0061 -0.0043 0.0031 9371 PRO 67 HD2 -0.0056 -0.0044 0.0020 9372 PRO 67 HD3 -0.0057 -0.0043 0.0024 9373 VAL 68 N -0.0048 -0.0025 0.0031 9374 VAL 68 CA -0.0045 -0.0021 0.0031 9375 VAL 68 C -0.0046 -0.0020 0.0035 9376 VAL 68 O -0.0044 -0.0017 0.0035 9377 VAL 68 CB -0.0042 -0.0016 0.0032 9378 VAL 68 CG1 -0.0040 -0.0016 0.0028 9379 VAL 68 CG2 -0.0044 -0.0014 0.0038 9380 VAL 68 H -0.0049 -0.0024 0.0034 9381 VAL 68 HA -0.0043 -0.0021 0.0027 9382 VAL 68 HB -0.0039 -0.0013 0.0032 9383 VAL 68 HG11 -0.0042 -0.0019 0.0028 9384 VAL 68 HG12 -0.0038 -0.0017 0.0024 9385 VAL 68 HG13 -0.0038 -0.0013 0.0029 9386 VAL 68 HG21 -0.0045 -0.0014 0.0041 9387 VAL 68 HG22 -0.0046 -0.0017 0.0038 9388 VAL 68 HG23 -0.0042 -0.0011 0.0039 9389 HIS 69 N -0.0050 -0.0023 0.0038 9390 HIS 69 CA -0.0052 -0.0023 0.0043 9391 HIS 69 C -0.0052 -0.0024 0.0041 9392 HIS 69 O -0.0054 -0.0029 0.0039 9393 HIS 69 CB -0.0056 -0.0027 0.0045 9394 HIS 69 CG -0.0057 -0.0025 0.0049 9395 HIS 69 ND1 -0.0061 -0.0027 0.0053 9396 HIS 69 CD2 -0.0054 -0.0022 0.0049 9397 HIS 69 CE1 -0.0060 -0.0025 0.0056 9398 HIS 69 NE2 -0.0056 -0.0021 0.0053 9399 HIS 69 H -0.0051 -0.0025 0.0038 9400 HIS 69 HA -0.0051 -0.0019 0.0046 9401 HIS 69 HB2 -0.0057 -0.0030 0.0042 9402 HIS 69 HB3 -0.0058 -0.0028 0.0047 9403 HIS 69 HD2 -0.0051 -0.0019 0.0046 9404 HIS 69 HE1 -0.0063 -0.0026 0.0059 9405 HIS 69 HE2 -0.0055 -0.0019 0.0055 9406 GLY 70 N -0.0050 -0.0020 0.0041 9407 GLY 70 CA -0.0049 -0.0021 0.0039 9408 GLY 70 C -0.0045 -0.0019 0.0035 9409 GLY 70 O -0.0044 -0.0018 0.0033 9410 GLY 70 H -0.0048 -0.0017 0.0043 9411 GLY 70 HA2 -0.0050 -0.0019 0.0043 9412 GLY 70 HA3 -0.0051 -0.0025 0.0038 9413 LEU 71 N -0.0043 -0.0018 0.0032 9414 LEU 71 CA -0.0039 -0.0016 0.0027 9415 LEU 71 C -0.0036 -0.0010 0.0029 9416 LEU 71 O -0.0037 -0.0008 0.0034 9417 LEU 71 CB -0.0038 -0.0016 0.0024 9418 LEU 71 CG -0.0040 -0.0021 0.0021 9419 LEU 71 CD1 -0.0038 -0.0021 0.0018 9420 LEU 71 CD2 -0.0041 -0.0024 0.0018 9421 LEU 71 H -0.0044 -0.0018 0.0033 9422 LEU 71 HA -0.0039 -0.0018 0.0025 9423 LEU 71 HB2 -0.0038 -0.0014 0.0027 9424 LEU 71 HB3 -0.0035 -0.0014 0.0021 9425 LEU 71 HG -0.0043 -0.0023 0.0025 9426 LEU 71 HD11 -0.0038 -0.0019 0.0020 9427 LEU 71 HD12 -0.0040 -0.0025 0.0016 9428 LEU 71 HD13 -0.0035 -0.0019 0.0015 9429 LEU 71 HD21 -0.0043 -0.0025 0.0021 9430 LEU 71 HD22 -0.0038 -0.0023 0.0015 9431 LEU 71 HD23 -0.0042 -0.0028 0.0016 9432 VAL 72 N -0.0033 -0.0009 0.0026 9433 VAL 72 CA -0.0030 -0.0004 0.0027 9434 VAL 72 C -0.0027 -0.0000 0.0026 9435 VAL 72 O -0.0027 -0.0002 0.0023 9436 VAL 72 CB -0.0029 -0.0003 0.0024 9437 VAL 72 CG1 -0.0025 -0.0002 0.0019 9438 VAL 72 CG2 -0.0028 0.0000 0.0028 9439 VAL 72 H -0.0033 -0.0011 0.0022 9440 VAL 72 HA -0.0032 -0.0003 0.0032 9441 VAL 72 HB -0.0031 -0.0007 0.0023 9442 VAL 72 HG11 -0.0025 -0.0004 0.0017 9443 VAL 72 HG12 -0.0024 -0.0003 0.0016 9444 VAL 72 HG13 -0.0023 0.0002 0.0020 9445 VAL 72 HG21 -0.0026 0.0004 0.0029 9446 VAL 72 HG22 -0.0027 0.0000 0.0026 9447 VAL 72 HG23 -0.0031 -0.0001 0.0032 9448 HIS 73 N -0.0027 -0.0004 0.0032 9449 HIS 73 CA -0.0023 0.0000 0.0031 9450 HIS 73 C -0.0021 -0.0001 0.0025 9451 HIS 73 O -0.0020 -0.0001 0.0024 9452 HIS 73 CB -0.0020 0.0006 0.0033 9453 HIS 73 CG -0.0018 0.0011 0.0035 9454 HIS 73 ND1 -0.0018 0.0015 0.0040 9455 HIS 73 CD2 -0.0015 0.0013 0.0032 9456 HIS 73 CE1 -0.0016 0.0019 0.0040 9457 HIS 73 NE2 -0.0013 0.0018 0.0035 9458 HIS 73 H -0.0028 -0.0003 0.0035 9459 HIS 73 HA -0.0025 0.0001 0.0034 9460 HIS 73 HB2 -0.0022 0.0006 0.0036 9461 HIS 73 HB3 -0.0018 0.0006 0.0029 9462 HIS 73 HD1 -0.0021 0.0014 0.0043 9463 HIS 73 HD2 -0.0013 0.0011 0.0027 9464 HIS 73 HE1 -0.0015 0.0022 0.0044 9465 THR 74 N -0.0019 -0.0002 0.0021 9466 THR 74 CA -0.0016 -0.0004 0.0015 9467 THR 74 C -0.0019 -0.0009 0.0012 9468 THR 74 O -0.0017 -0.0011 0.0008 9469 THR 74 CB -0.0014 -0.0003 0.0012 9470 THR 74 OG1 -0.0017 -0.0007 0.0011 9471 THR 74 CG2 -0.0012 0.0003 0.0015 9472 THR 74 H -0.0020 -0.0003 0.0022 9473 THR 74 HA -0.0014 -0.0001 0.0015 9474 THR 74 HB -0.0011 -0.0003 0.0007 9475 THR 74 HG1 -0.0017 -0.0006 0.0013 9476 THR 74 HG21 -0.0010 0.0006 0.0015 9477 THR 74 HG22 -0.0010 0.0003 0.0013 9478 THR 74 HG23 -0.0015 0.0003 0.0020 9479 GLU 75 N -0.0023 -0.0013 0.0015 9480 GLU 75 CA -0.0026 -0.0019 0.0013 9481 GLU 75 C -0.0026 -0.0019 0.0013 9482 GLU 75 O -0.0026 -0.0022 0.0009 9483 GLU 75 CB -0.0031 -0.0022 0.0017 9484 GLU 75 CG -0.0031 -0.0025 0.0015 9485 GLU 75 CD -0.0036 -0.0029 0.0017 9486 GLU 75 OE1 -0.0038 -0.0028 0.0022 9487 GLU 75 OE2 -0.0037 -0.0034 0.0013 9488 GLU 75 H -0.0025 -0.0012 0.0019 9489 GLU 75 HA -0.0025 -0.0020 0.0009 9490 GLU 75 HB2 -0.0032 -0.0020 0.0021 9491 GLU 75 HB3 -0.0033 -0.0026 0.0016 9492 GLU 75 HG2 -0.0029 -0.0026 0.0010 9493 GLU 75 HG3 -0.0030 -0.0021 0.0016 9494 VAL 76 N -0.0027 -0.0016 0.0018 9495 VAL 76 CA -0.0027 -0.0016 0.0018 9496 VAL 76 C -0.0022 -0.0013 0.0013 9497 VAL 76 O -0.0022 -0.0016 0.0010 9498 VAL 76 CB -0.0028 -0.0012 0.0024 9499 VAL 76 CG1 -0.0033 -0.0016 0.0028 9500 VAL 76 CG2 -0.0025 -0.0007 0.0026 9501 VAL 76 H -0.0027 -0.0013 0.0021 9502 VAL 76 HA -0.0029 -0.0020 0.0017 9503 VAL 76 HB -0.0027 -0.0012 0.0023 9504 VAL 76 HG11 -0.0034 -0.0016 0.0029 9505 VAL 76 HG12 -0.0035 -0.0020 0.0026 9506 VAL 76 HG13 -0.0034 -0.0014 0.0032 9507 VAL 76 HG21 -0.0023 -0.0004 0.0025 9508 VAL 76 HG22 -0.0024 -0.0007 0.0024 9509 VAL 76 HG23 -0.0027 -0.0006 0.0031 9510 VAL 77 N -0.0019 -0.0009 0.0013 9511 VAL 77 CA -0.0014 -0.0006 0.0008 9512 VAL 77 C -0.0014 -0.0011 0.0002 9513 VAL 77 O -0.0012 -0.0011 -0.0001 9514 VAL 77 CB -0.0011 -0.0002 0.0009 9515 VAL 77 CG1 -0.0006 0.0001 0.0004 9516 VAL 77 CG2 -0.0012 0.0003 0.0015 9517 VAL 77 H -0.0019 -0.0007 0.0016 9518 VAL 77 HA -0.0014 -0.0005 0.0009 9519 VAL 77 HB -0.0012 -0.0003 0.0008 9520 VAL 77 HG11 -0.0006 0.0002 0.0004 9521 VAL 77 HG12 -0.0006 -0.0002 -0.0000 9522 VAL 77 HG13 -0.0004 0.0005 0.0005 9523 VAL 77 HG21 -0.0010 0.0005 0.0015 9524 VAL 77 HG22 -0.0015 0.0001 0.0018 9525 VAL 77 HG23 -0.0010 0.0005 0.0015 9526 GLU 78 N -0.0015 -0.0014 0.0001 9527 GLU 78 CA -0.0015 -0.0018 -0.0004 9528 GLU 78 C -0.0017 -0.0022 -0.0005 9529 GLU 78 O -0.0016 -0.0024 -0.0010 9530 GLU 78 CB -0.0017 -0.0021 -0.0005 9531 GLU 78 CG -0.0014 -0.0017 -0.0006 9532 GLU 78 CD -0.0015 -0.0020 -0.0007 9533 GLU 78 OE1 -0.0019 -0.0023 -0.0004 9534 GLU 78 OE2 -0.0012 -0.0019 -0.0010 9535 GLU 78 H -0.0016 -0.0013 0.0004 9536 GLU 78 HA -0.0012 -0.0016 -0.0008 9537 GLU 78 HB2 -0.0020 -0.0021 -0.0001 9538 GLU 78 HB3 -0.0017 -0.0024 -0.0008 9539 GLU 78 HG2 -0.0010 -0.0016 -0.0010 9540 GLU 78 HG3 -0.0013 -0.0013 -0.0002 9541 LEU 79 N -0.0017 -0.0035 0.0000 9542 LEU 79 CA -0.0018 -0.0040 -0.0001 9543 LEU 79 C -0.0014 -0.0037 -0.0004 9544 LEU 79 O -0.0013 -0.0041 -0.0008 9545 LEU 79 CB -0.0023 -0.0041 0.0006 9546 LEU 79 CG -0.0027 -0.0048 0.0007 9547 LEU 79 CD1 -0.0026 -0.0053 0.0002 9548 LEU 79 CD2 -0.0028 -0.0052 0.0006 9549 LEU 79 H -0.0019 -0.0033 0.0004 9550 LEU 79 HA -0.0018 -0.0045 -0.0003 9551 LEU 79 HB2 -0.0025 -0.0038 0.0009 9552 LEU 79 HB3 -0.0023 -0.0038 0.0007 9553 LEU 79 HG -0.0031 -0.0048 0.0011 9554 LEU 79 HD11 -0.0025 -0.0050 0.0002 9555 LEU 79 HD12 -0.0029 -0.0058 0.0003 9556 LEU 79 HD13 -0.0022 -0.0053 -0.0003 9557 LEU 79 HD21 -0.0029 -0.0049 0.0009 9558 LEU 79 HD22 -0.0025 -0.0053 0.0001 9559 LEU 79 HD23 -0.0031 -0.0057 0.0007 9560 ILE 80 N -0.0013 -0.0030 -0.0002 9561 ILE 80 CA -0.0009 -0.0027 -0.0005 9562 ILE 80 C -0.0004 -0.0026 -0.0012 9563 ILE 80 O -0.0002 -0.0028 -0.0016 9564 ILE 80 CB -0.0009 -0.0019 -0.0001 9565 ILE 80 CG1 -0.0013 -0.0019 0.0005 9566 ILE 80 CG2 -0.0004 -0.0014 -0.0005 9567 ILE 80 CD1 -0.0015 -0.0013 0.0011 9568 ILE 80 H -0.0014 -0.0027 0.0001 9569 ILE 80 HA -0.0010 -0.0030 -0.0005 9570 ILE 80 HB -0.0008 -0.0016 0.0000 9571 ILE 80 HG12 -0.0012 -0.0019 0.0004 9572 ILE 80 HG13 -0.0016 -0.0024 0.0006 9573 ILE 80 HG21 -0.0004 -0.0010 -0.0001 9574 ILE 80 HG22 -0.0003 -0.0018 -0.0007 9575 ILE 80 HG23 -0.0001 -0.0012 -0.0008 9576 ILE 80 HD11 -0.0018 -0.0014 0.0015 9577 ILE 80 HD12 -0.0012 -0.0008 0.0010 9578 ILE 80 HD13 -0.0015 -0.0013 0.0011 9579 LEU 81 N -0.0002 -0.0024 -0.0013 9580 LEU 81 CA 0.0003 -0.0023 -0.0019 9581 LEU 81 C 0.0003 -0.0030 -0.0024 9582 LEU 81 O 0.0007 -0.0031 -0.0029 9583 LEU 81 CB 0.0004 -0.0020 -0.0019 9584 LEU 81 CG 0.0004 -0.0013 -0.0014 9585 LEU 81 CD1 0.0004 -0.0011 -0.0014 9586 LEU 81 CD2 0.0008 -0.0007 -0.0017 9587 LEU 81 H -0.0004 -0.0022 -0.0009 9588 LEU 81 HA 0.0005 -0.0020 -0.0021 9589 LEU 81 HB2 0.0001 -0.0024 -0.0017 9590 LEU 81 HB3 0.0007 -0.0020 -0.0023 9591 LEU 81 HG 0.0000 -0.0013 -0.0010 9592 LEU 81 HD11 0.0001 -0.0014 -0.0012 9593 LEU 81 HD12 0.0004 -0.0005 -0.0011 9594 LEU 81 HD13 0.0008 -0.0011 -0.0018 9595 LEU 81 HD21 0.0011 -0.0008 -0.0022 9596 LEU 81 HD22 0.0009 -0.0002 -0.0014 9597 LEU 81 HD23 0.0007 -0.0008 -0.0017 9598 LYS 82 N -0.0001 -0.0036 -0.0022 9599 LYS 82 CA -0.0002 -0.0043 -0.0025 9600 LYS 82 C -0.0001 -0.0046 -0.0028 9601 LYS 82 O 0.0001 -0.0050 -0.0033 9602 LYS 82 CB -0.0007 -0.0048 -0.0022 9603 LYS 82 CG -0.0007 -0.0055 -0.0025 9604 LYS 82 CD -0.0012 -0.0061 -0.0022 9605 LYS 82 CE -0.0015 -0.0061 -0.0017 9606 LYS 82 NZ -0.0020 -0.0067 -0.0015 9607 LYS 82 H -0.0004 -0.0035 -0.0017 9608 LYS 82 HA 0.0001 -0.0044 -0.0029 9609 LYS 82 HB2 -0.0008 -0.0046 -0.0018 9610 LYS 82 HB3 -0.0009 -0.0050 -0.0019 9611 LYS 82 HG2 -0.0004 -0.0057 -0.0030 9612 LYS 82 HG3 -0.0006 -0.0055 -0.0027 9613 LYS 82 HD2 -0.0013 -0.0061 -0.0020 9614 LYS 82 HD3 -0.0012 -0.0066 -0.0025 9615 LYS 82 HE2 -0.0014 -0.0059 -0.0019 9616 LYS 82 HE3 -0.0016 -0.0056 -0.0013 9617 LYS 82 HZ1 -0.0022 -0.0069 -0.0013 9618 LYS 82 HZ2 -0.0022 -0.0066 -0.0011 9619 LYS 82 HZ3 -0.0019 -0.0071 -0.0018 9620 SER 83 N -0.0003 -0.0044 -0.0024 9621 SER 83 CA -0.0003 -0.0046 -0.0025 9622 SER 83 C 0.0003 -0.0044 -0.0032 9623 SER 83 O 0.0004 -0.0049 -0.0036 9624 SER 83 CB -0.0005 -0.0042 -0.0020 9625 SER 83 OG -0.0006 -0.0045 -0.0021 9626 SER 83 H -0.0005 -0.0041 -0.0020 9627 SER 83 HA -0.0005 -0.0052 -0.0026 9628 SER 83 HB2 -0.0008 -0.0042 -0.0016 9629 SER 83 HB3 -0.0002 -0.0036 -0.0020 9630 SER 83 HG -0.0003 -0.0042 -0.0022 9631 GLY 84 N 0.0006 -0.0038 -0.0033 9632 GLY 84 CA 0.0011 -0.0036 -0.0039 9633 GLY 84 C 0.0014 -0.0029 -0.0038 9634 GLY 84 O 0.0013 -0.0024 -0.0034 9635 GLY 84 H 0.0005 -0.0034 -0.0029 9636 GLY 84 HA2 0.0013 -0.0036 -0.0041 9637 GLY 84 HA3 0.0011 -0.0041 -0.0042 9638 ASN 85 N 0.0018 -0.0033 -0.0040 9639 ASN 85 CA 0.0020 -0.0026 -0.0041 9640 ASN 85 C 0.0017 -0.0024 -0.0036 9641 ASN 85 O 0.0018 -0.0018 -0.0036 9642 ASN 85 CB 0.0025 -0.0028 -0.0048 9643 ASN 85 CG 0.0024 -0.0034 -0.0048 9644 ASN 85 OD1 0.0023 -0.0034 -0.0047 9645 ASN 85 ND2 0.0024 -0.0042 -0.0050 9646 ASN 85 H 0.0019 -0.0038 -0.0042 9647 ASN 85 HA 0.0021 -0.0021 -0.0041 9648 ASN 85 HB2 0.0026 -0.0022 -0.0049 9649 ASN 85 HB3 0.0027 -0.0029 -0.0052 9650 ASN 85 HD21 0.0024 -0.0042 -0.0051 9651 ASN 85 HD22 0.0023 -0.0046 -0.0051 9652 LYS 86 N 0.0013 -0.0029 -0.0032 9653 LYS 86 CA 0.0010 -0.0027 -0.0026 9654 LYS 86 C 0.0005 -0.0032 -0.0021 9655 LYS 86 O 0.0004 -0.0036 -0.0021 9656 LYS 86 CB 0.0011 -0.0030 -0.0029 9657 LYS 86 CG 0.0012 -0.0039 -0.0032 9658 LYS 86 CD 0.0012 -0.0041 -0.0033 9659 LYS 86 CE 0.0012 -0.0050 -0.0036 9660 LYS 86 NZ 0.0008 -0.0056 -0.0032 9661 LYS 86 H 0.0012 -0.0033 -0.0032 9662 LYS 86 HA 0.0010 -0.0021 -0.0025 9663 LYS 86 HB2 0.0009 -0.0029 -0.0025 9664 LYS 86 HB3 0.0014 -0.0026 -0.0033 9665 LYS 86 HG2 0.0015 -0.0039 -0.0037 9666 LYS 86 HG3 0.0009 -0.0042 -0.0029 9667 LYS 86 HD2 0.0008 -0.0041 -0.0028 9668 LYS 86 HD3 0.0014 -0.0038 -0.0036 9669 LYS 86 HE2 0.0013 -0.0051 -0.0038 9670 LYS 86 HE3 0.0015 -0.0050 -0.0041 9671 LYS 86 HZ1 0.0008 -0.0055 -0.0031 9672 LYS 86 HZ2 0.0009 -0.0061 -0.0035 9673 LYS 86 HZ3 0.0005 -0.0055 -0.0028 9674 VAL 87 N 0.0002 -0.0031 -0.0015 9675 VAL 87 CA -0.0003 -0.0035 -0.0009 9676 VAL 87 C -0.0006 -0.0034 -0.0005 9677 VAL 87 O -0.0005 -0.0028 -0.0004 9678 VAL 87 CB -0.0005 -0.0031 -0.0006 9679 VAL 87 CG1 -0.0005 -0.0023 -0.0003 9680 VAL 87 CG2 -0.0010 -0.0036 -0.0000 9681 VAL 87 H 0.0003 -0.0027 -0.0016 9682 VAL 87 HA -0.0003 -0.0041 -0.0011 9683 VAL 87 HB -0.0002 -0.0031 -0.0009 9684 VAL 87 HG11 -0.0007 -0.0022 -0.0000 9685 VAL 87 HG12 -0.0002 -0.0019 -0.0007 9686 VAL 87 HG13 -0.0007 -0.0021 0.0000 9687 VAL 87 HG21 -0.0009 -0.0041 -0.0003 9688 VAL 87 HG22 -0.0012 -0.0038 0.0002 9689 VAL 87 HG23 -0.0011 -0.0033 0.0003 9690 ALA 88 N -0.0010 -0.0040 -0.0001 9691 ALA 88 CA -0.0013 -0.0040 0.0003 9692 ALA 88 C -0.0017 -0.0037 0.0010 9693 ALA 88 O -0.0020 -0.0042 0.0014 9694 ALA 88 CB -0.0014 -0.0048 0.0003 9695 ALA 88 H -0.0010 -0.0044 -0.0002 9696 ALA 88 HA -0.0011 -0.0036 0.0002 9697 ALA 88 HB1 -0.0011 -0.0050 -0.0001 9698 ALA 88 HB2 -0.0017 -0.0049 0.0007 9699 ALA 88 HB3 -0.0016 -0.0052 0.0004 9700 ILE 89 N -0.0017 -0.0030 0.0013 9701 ILE 89 CA -0.0021 -0.0027 0.0019 9702 ILE 89 C -0.0024 -0.0027 0.0024 9703 ILE 89 O -0.0023 -0.0024 0.0023 9704 ILE 89 CB -0.0020 -0.0018 0.0020 9705 ILE 89 CG1 -0.0024 -0.0014 0.0027 9706 ILE 89 CG2 -0.0016 -0.0013 0.0016 9707 ILE 89 CD1 -0.0023 -0.0007 0.0027 9708 ILE 89 H -0.0015 -0.0027 0.0010 9709 ILE 89 HA -0.0023 -0.0030 0.0021 9710 ILE 89 HB -0.0018 -0.0018 0.0017 9711 ILE 89 HG12 -0.0025 -0.0013 0.0029 9712 ILE 89 HG13 -0.0026 -0.0018 0.0029 9713 ILE 89 HG21 -0.0013 -0.0015 0.0011 9714 ILE 89 HG22 -0.0015 -0.0007 0.0016 9715 ILE 89 HG23 -0.0018 -0.0013 0.0019 9716 ILE 89 HD11 -0.0025 -0.0004 0.0032 9717 ILE 89 HD12 -0.0019 -0.0003 0.0024 9718 ILE 89 HD13 -0.0022 -0.0008 0.0026 9719 SER 90 N -0.0029 -0.0032 0.0029 9720 SER 90 CA -0.0032 -0.0034 0.0033 9721 SER 90 C -0.0035 -0.0028 0.0040 9722 SER 90 O -0.0038 -0.0028 0.0043 9723 SER 90 CB -0.0035 -0.0042 0.0035 9724 SER 90 OG -0.0036 -0.0045 0.0036 9725 SER 90 H -0.0029 -0.0035 0.0029 9726 SER 90 HA -0.0030 -0.0033 0.0031 9727 SER 90 HB2 -0.0033 -0.0046 0.0031 9728 SER 90 HB3 -0.0038 -0.0042 0.0040 9729 SER 90 HG -0.0034 -0.0043 0.0033 9730 THR 91 N -0.0026 -0.0002 0.0053 9731 THR 91 CA -0.0028 -0.0013 0.0035 9732 THR 91 C -0.0012 -0.0008 0.0017 9733 THR 91 O -0.0000 0.0003 0.0020 9734 THR 91 CB -0.0044 -0.0029 0.0030 9735 THR 91 OG1 -0.0042 -0.0029 0.0027 9736 THR 91 CG2 -0.0060 -0.0034 0.0047 9737 THR 91 H -0.0026 -0.0002 0.0055 9738 THR 91 HA -0.0030 -0.0013 0.0037 9739 THR 91 HB -0.0045 -0.0036 0.0016 9740 THR 91 HG1 -0.0047 -0.0038 0.0015 9741 THR 91 HG21 -0.0059 -0.0026 0.0061 9742 THR 91 HG22 -0.0062 -0.0035 0.0049 9743 THR 91 HG23 -0.0071 -0.0045 0.0043 9744 THR 92 N -0.0012 -0.0017 -0.0000 9745 THR 92 CA 0.0003 -0.0013 -0.0018 9746 THR 92 C 0.0001 -0.0022 -0.0033 9747 THR 92 O -0.0008 -0.0035 -0.0045 9748 THR 92 CB 0.0008 -0.0013 -0.0028 9749 THR 92 OG1 0.0022 -0.0011 -0.0046 9750 THR 92 CG2 -0.0007 -0.0028 -0.0032 9751 THR 92 H -0.0022 -0.0026 -0.0002 9752 THR 92 HA 0.0014 -0.0001 -0.0012 9753 THR 92 HB 0.0013 -0.0004 -0.0018 9754 THR 92 HG1 0.0023 -0.0012 -0.0050 9755 THR 92 HG21 -0.0003 -0.0028 -0.0039 9756 THR 92 HG22 -0.0012 -0.0037 -0.0042 9757 THR 92 HG23 -0.0017 -0.0029 -0.0018 9758 PRO 93 N 0.0008 -0.0017 -0.0034 9759 PRO 93 CA 0.0007 -0.0025 -0.0049 9760 PRO 93 C 0.0013 -0.0030 -0.0070 9761 PRO 93 O 0.0021 -0.0026 -0.0075 9762 PRO 93 CB 0.0019 -0.0013 -0.0046 9763 PRO 93 CG 0.0019 -0.0003 -0.0024 9764 PRO 93 CD 0.0017 -0.0002 -0.0019 9765 PRO 93 HA -0.0006 -0.0034 -0.0046 9766 PRO 93 HB2 0.0032 -0.0008 -0.0056 9767 PRO 93 HB3 0.0014 -0.0019 -0.0048 9768 PRO 93 HG2 0.0031 0.0008 -0.0022 9769 PRO 93 HG3 0.0008 -0.0007 -0.0015 9770 PRO 93 HD2 0.0029 0.0007 -0.0021 9771 PRO 93 HD3 0.0009 -0.0001 -0.0004 9772 LEU 94 N 0.0010 -0.0039 -0.0084 9773 LEU 94 CA 0.0015 -0.0046 -0.0106 9774 LEU 94 C 0.0035 -0.0033 -0.0114 9775 LEU 94 O 0.0044 -0.0021 -0.0105 9776 LEU 94 CB 0.0009 -0.0057 -0.0118 9777 LEU 94 CG -0.0002 -0.0059 -0.0105 9778 LEU 94 CD1 0.0011 -0.0047 -0.0100 9779 LEU 94 CD2 -0.0013 -0.0074 -0.0116 9780 LEU 94 H 0.0004 -0.0042 -0.0080 9781 LEU 94 HA 0.0010 -0.0051 -0.0108 9782 LEU 94 HB2 0.0020 -0.0053 -0.0129 9783 LEU 94 HB3 0.0000 -0.0067 -0.0125 9784 LEU 94 HG -0.0010 -0.0059 -0.0091 9785 LEU 94 HD11 0.0015 -0.0037 -0.0087 9786 LEU 94 HD12 0.0005 -0.0050 -0.0097 9787 LEU 94 HD13 0.0022 -0.0044 -0.0113 9788 LEU 94 HD21 -0.0023 -0.0083 -0.0118 9789 LEU 94 HD22 -0.0005 -0.0075 -0.0131 9790 LEU 94 HD23 -0.0019 -0.0075 -0.0108 9791 GLU 95 N 0.0041 -0.0036 -0.0130 9792 GLU 95 CA 0.0059 -0.0025 -0.0139 9793 GLU 95 C 0.0063 -0.0032 -0.0161 9794 GLU 95 O 0.0052 -0.0045 -0.0168 9795 GLU 95 CB 0.0066 -0.0014 -0.0127 9796 GLU 95 CG 0.0062 -0.0019 -0.0132 9797 GLU 95 CD 0.0044 -0.0029 -0.0121 9798 GLU 95 OE1 0.0032 -0.0043 -0.0129 9799 GLU 95 OE2 0.0041 -0.0024 -0.0105 9800 GLU 95 H 0.0033 -0.0046 -0.0137 9801 GLU 95 HA 0.0066 -0.0019 -0.0138 9802 GLU 95 HB2 0.0080 -0.0004 -0.0131 9803 GLU 95 HB3 0.0061 -0.0010 -0.0111 9804 GLU 95 HG2 0.0064 -0.0025 -0.0148 9805 GLU 95 HG3 0.0071 -0.0010 -0.0127 9806 ASN 96 N 0.0080 -0.0024 -0.0172 9807 ASN 96 CA 0.0085 -0.0030 -0.0193 9808 ASN 96 C 0.0089 -0.0027 -0.0195 9809 ASN 96 O 0.0096 -0.0016 -0.0182 9810 ASN 96 CB 0.0101 -0.0022 -0.0204 9811 ASN 96 CG 0.0118 -0.0007 -0.0202 9812 ASN 96 OD1 0.0127 -0.0005 -0.0213 9813 ASN 96 ND2 0.0123 0.0005 -0.0186 9814 ASN 96 OXT 0.0085 -0.0037 -0.0208 9815 ASN 96 H 0.0088 -0.0014 -0.0166 9816 ASN 96 HA 0.0075 -0.0042 -0.0200 9817 ASN 96 HB2 0.0102 -0.0029 -0.0220 9818 ASN 96 HB3 0.0100 -0.0021 -0.0199 9819 ASN 96 HD21 0.0115 0.0003 -0.0178 9820 ASN 96 HD22 0.0134 0.0015 -0.0184 9821 SER 101 N 0.0045 -0.0056 0.0111 9822 SER 101 CA 0.0027 -0.0052 0.0110 9823 SER 101 C 0.0024 -0.0038 0.0095 9824 SER 101 O 0.0010 -0.0032 0.0090 9825 SER 101 CB 0.0025 -0.0059 0.0119 9826 SER 101 OG 0.0031 -0.0072 0.0133 9827 SER 101 H1 0.0046 -0.0052 0.0106 9828 SER 101 H2 0.0047 -0.0066 0.0122 9829 SER 101 H3 0.0055 -0.0054 0.0106 9830 SER 101 HA 0.0016 -0.0054 0.0115 9831 SER 101 HB2 0.0033 -0.0056 0.0114 9832 SER 101 HB3 0.0011 -0.0058 0.0121 9833 SER 101 HG 0.0021 -0.0076 0.0139 9834 TRP 102 N 0.0037 -0.0035 0.0088 9835 TRP 102 CA 0.0036 -0.0022 0.0073 9836 TRP 102 C 0.0055 -0.0019 0.0065 9837 TRP 102 O 0.0068 -0.0027 0.0071 9838 TRP 102 CB 0.0026 -0.0018 0.0072 9839 TRP 102 CG 0.0034 -0.0026 0.0078 9840 TRP 102 CD1 0.0048 -0.0024 0.0073 9841 TRP 102 CD2 0.0028 -0.0037 0.0092 9842 TRP 102 NE1 0.0052 -0.0033 0.0082 9843 TRP 102 CE2 0.0039 -0.0041 0.0094 9844 TRP 102 CE3 0.0013 -0.0043 0.0103 9845 TRP 102 CZ2 0.0037 -0.0051 0.0106 9846 TRP 102 CZ3 0.0011 -0.0053 0.0115 9847 TRP 102 CH2 0.0023 -0.0057 0.0117 9848 TRP 102 H 0.0047 -0.0040 0.0092 9849 TRP 102 HA 0.0028 -0.0016 0.0068 9850 TRP 102 HB2 0.0026 -0.0009 0.0061 9851 TRP 102 HB3 0.0012 -0.0020 0.0076 9852 TRP 102 HD1 0.0056 -0.0017 0.0063 9853 TRP 102 HE1 0.0062 -0.0034 0.0081 9854 TRP 102 HE3 0.0004 -0.0040 0.0102 9855 TRP 102 HZ2 0.0046 -0.0054 0.0108 9856 TRP 102 HZ3 0.0001 -0.0058 0.0123 9857 TRP 102 HH2 0.0021 -0.0065 0.0126 9858 GLU 103 N 0.0057 -0.0007 0.0052 9859 GLU 103 CA 0.0075 -0.0004 0.0043 9860 GLU 103 C 0.0078 0.0002 0.0036 9861 GLU 103 O 0.0094 0.0002 0.0032 9862 GLU 103 CB 0.0077 0.0005 0.0032 9863 GLU 103 CG 0.0080 -0.0001 0.0039 9864 GLU 103 CD 0.0064 -0.0007 0.0050 9865 GLU 103 OE1 0.0048 -0.0001 0.0047 9866 GLU 103 OE2 0.0068 -0.0018 0.0061 9867 GLU 103 H 0.0046 -0.0002 0.0047 9868 GLU 103 HA 0.0085 -0.0012 0.0050 9869 GLU 103 HB2 0.0065 0.0012 0.0027 9870 GLU 103 HB3 0.0088 0.0010 0.0024 9871 GLU 103 HG2 0.0082 0.0006 0.0030 9872 GLU 103 HG3 0.0092 -0.0008 0.0044 9873 SER 104 N 0.0063 0.0007 0.0034 9874 SER 104 CA 0.0065 0.0013 0.0027 9875 SER 104 C 0.0051 0.0009 0.0035 9876 SER 104 O 0.0036 0.0006 0.0040 9877 SER 104 CB 0.0061 0.0027 0.0011 9878 SER 104 OG 0.0069 0.0030 0.0005 9879 SER 104 H 0.0051 0.0007 0.0037 9880 SER 104 HA 0.0078 0.0009 0.0027 9881 SER 104 HB2 0.0047 0.0030 0.0011 9882 SER 104 HB3 0.0068 0.0030 0.0005 9883 SER 104 HG 0.0081 0.0026 0.0008 9884 HIS 105 N 0.0055 0.0008 0.0035 9885 HIS 105 CA 0.0043 0.0004 0.0042 9886 HIS 105 C 0.0037 0.0014 0.0032 9887 HIS 105 O 0.0022 0.0020 0.0028 9888 HIS 105 CB 0.0053 -0.0008 0.0053 9889 HIS 105 CG 0.0042 -0.0013 0.0062 9890 HIS 105 ND1 0.0042 -0.0010 0.0058 9891 HIS 105 CD2 0.0031 -0.0022 0.0074 9892 HIS 105 CE1 0.0031 -0.0016 0.0068 9893 HIS 105 NE2 0.0024 -0.0024 0.0078 9894 HIS 105 H 0.0067 0.0009 0.0030 9895 HIS 105 HA 0.0031 0.0002 0.0047 9896 HIS 105 HB2 0.0057 -0.0015 0.0060 9897 HIS 105 HB3 0.0065 -0.0006 0.0048 9898 HIS 105 HD2 0.0028 -0.0026 0.0080 9899 HIS 105 HE1 0.0029 -0.0016 0.0068 9900 HIS 105 HE2 0.0019 -0.0031 0.0088 9901 LYS 106 N 0.0050 0.0016 0.0026 9902 LYS 106 CA 0.0046 0.0025 0.0016 9903 LYS 106 C 0.0039 0.0038 0.0004 9904 LYS 106 O 0.0049 0.0043 -0.0005 9905 LYS 106 CB 0.0064 0.0026 0.0012 9906 LYS 106 CG 0.0067 0.0016 0.0022 9907 LYS 106 CD 0.0086 0.0015 0.0019 9908 LYS 106 CE 0.0088 0.0008 0.0027 9909 LYS 106 NZ 0.0086 -0.0005 0.0042 9910 LYS 106 H 0.0062 0.0011 0.0029 9911 LYS 106 HA 0.0036 0.0023 0.0022 9912 LYS 106 HB2 0.0075 0.0024 0.0011 9913 LYS 106 HB3 0.0063 0.0034 0.0002 9914 LYS 106 HG2 0.0057 0.0018 0.0022 9915 LYS 106 HG3 0.0066 0.0007 0.0033 9916 LYS 106 HD2 0.0096 0.0011 0.0021 9917 LYS 106 HD3 0.0088 0.0025 0.0007 9918 LYS 106 HE2 0.0101 0.0008 0.0023 9919 LYS 106 HE3 0.0077 0.0012 0.0025 9920 LYS 106 HZ1 0.0090 -0.0008 0.0044 9921 LYS 106 HZ2 0.0073 -0.0007 0.0047 9922 LYS 106 HZ3 0.0095 -0.0011 0.0047 9923 SER 107 N 0.0004 0.0021 0.0032 9924 SER 107 CA 0.0002 0.0020 0.0029 9925 SER 107 C 0.0001 0.0021 0.0025 9926 SER 107 O -0.0002 0.0019 0.0024 9927 SER 107 CB -0.0001 0.0017 0.0031 9928 SER 107 OG -0.0000 0.0017 0.0035 9929 SER 107 H 0.0003 0.0021 0.0031 9930 SER 107 HA 0.0003 0.0021 0.0030 9931 SER 107 HB2 -0.0002 0.0016 0.0030 9932 SER 107 HB3 -0.0002 0.0017 0.0030 9933 SER 107 HG 0.0001 0.0017 0.0036 9934 GLY 108 N 0.0003 0.0023 0.0024 9935 GLY 108 CA 0.0002 0.0024 0.0020 9936 GLY 108 C 0.0004 0.0026 0.0019 9937 GLY 108 O 0.0003 0.0026 0.0016 9938 GLY 108 H 0.0005 0.0025 0.0025 9939 GLY 108 HA2 0.0003 0.0025 0.0018 9940 GLY 108 HA3 0.0000 0.0022 0.0019 9941 GLY 109 N 0.0006 0.0026 0.0022 9942 GLY 109 CA 0.0007 0.0028 0.0022 9943 GLY 109 C 0.0006 0.0026 0.0024 9944 GLY 109 O 0.0005 0.0024 0.0027 9945 GLY 109 H 0.0006 0.0026 0.0024 9946 GLY 109 HA2 0.0009 0.0030 0.0023 9947 GLY 109 HA3 0.0007 0.0028 0.0019 9948 GLU 110 N 0.0006 0.0027 0.0023 9949 GLU 110 CA 0.0006 0.0025 0.0025 9950 GLU 110 C 0.0004 0.0025 0.0022 9951 GLU 110 O 0.0005 0.0026 0.0022 9952 GLU 110 CB 0.0008 0.0027 0.0028 9953 GLU 110 CG 0.0010 0.0028 0.0030 9954 GLU 110 CD 0.0012 0.0029 0.0033 9955 GLU 110 OE1 0.0014 0.0031 0.0032 9956 GLU 110 OE2 0.0013 0.0029 0.0036 9957 GLU 110 H 0.0007 0.0028 0.0021 9958 GLU 110 HA 0.0004 0.0024 0.0027 9959 GLU 110 HB2 0.0009 0.0029 0.0026 9960 GLU 110 HB3 0.0007 0.0026 0.0029 9961 GLU 110 HG2 0.0009 0.0026 0.0032 9962 GLU 110 HG3 0.0011 0.0029 0.0029 9963 THR 111 N 0.0002 0.0023 0.0020 9964 THR 111 CA 0.0000 0.0023 0.0017 9965 THR 111 C -0.0001 0.0021 0.0019 9966 THR 111 O -0.0001 0.0020 0.0022 9967 THR 111 CB -0.0002 0.0022 0.0015 9968 THR 111 OG1 -0.0001 0.0023 0.0015 9969 THR 111 CG2 -0.0002 0.0022 0.0011 9970 THR 111 H 0.0001 0.0023 0.0020 9971 THR 111 HA 0.0002 0.0024 0.0016 9972 THR 111 HB -0.0004 0.0019 0.0015 9973 THR 111 HG1 -0.0000 0.0024 0.0012 9974 THR 111 HG21 -0.0000 0.0025 0.0010 9975 THR 111 HG22 -0.0003 0.0022 0.0011 9976 THR 111 HG23 -0.0004 0.0022 0.0009 9977 ARG 112 N -0.0003 0.0020 0.0017 9978 ARG 112 CA -0.0005 0.0018 0.0018 9979 ARG 112 C -0.0007 0.0017 0.0015 9980 ARG 112 O -0.0007 0.0018 0.0011 9981 ARG 112 CB -0.0003 0.0019 0.0020 9982 ARG 112 CG -0.0001 0.0022 0.0017 9983 ARG 112 CD 0.0002 0.0023 0.0020 9984 ARG 112 NE 0.0003 0.0025 0.0018 9985 ARG 112 CZ 0.0005 0.0027 0.0019 9986 ARG 112 NH1 0.0006 0.0026 0.0023 9987 ARG 112 NH2 0.0006 0.0028 0.0017 9988 ARG 112 H -0.0003 0.0021 0.0014 9989 ARG 112 HA -0.0006 0.0016 0.0020 9990 ARG 112 HB2 -0.0004 0.0018 0.0020 9991 ARG 112 HB3 -0.0002 0.0020 0.0022 9992 ARG 112 HG2 0.0000 0.0023 0.0016 9993 ARG 112 HG3 -0.0002 0.0021 0.0015 9994 ARG 112 HD2 0.0001 0.0022 0.0022 9995 ARG 112 HD3 0.0003 0.0024 0.0021 9996 ARG 112 HE 0.0003 0.0026 0.0015 9997 ARG 112 HH11 0.0005 0.0025 0.0025 9998 ARG 112 HH12 0.0007 0.0027 0.0024 9999 ARG 112 HH21 0.0006 0.0029 0.0015 10000 ARG 112 HH22 0.0007 0.0029 0.0019 10001 LEU 113 N -0.0005 0.0011 0.0011 10002 LEU 113 CA -0.0003 0.0008 0.0006 10003 LEU 113 C 0.0001 0.0012 0.0003 10004 LEU 113 O 0.0004 0.0016 0.0002 10005 LEU 113 CB -0.0007 0.0003 0.0007 10006 LEU 113 CG -0.0010 -0.0003 0.0008 10007 LEU 113 CD1 -0.0008 -0.0005 0.0003 10008 LEU 113 CD2 -0.0013 -0.0002 0.0013 10009 LEU 113 OXT 0.0001 0.0012 0.0002 10010 LEU 113 H -0.0006 0.0013 0.0014 10011 LEU 113 HA -0.0002 0.0005 0.0003 10012 LEU 113 HB2 -0.0008 0.0005 0.0011 10013 LEU 113 HB3 -0.0005 0.0002 0.0004 10014 LEU 113 HG -0.0012 -0.0006 0.0008 10015 LEU 113 HD11 -0.0006 -0.0006 -0.0001 10016 LEU 113 HD12 -0.0011 -0.0010 0.0003 10017 LEU 113 HD13 -0.0007 -0.0002 0.0003 10018 LEU 113 HD21 -0.0016 -0.0006 0.0014 10019 LEU 113 HD22 -0.0015 0.0000 0.0017 10020 LEU 113 HD23 -0.0012 0.0001 0.0014 10021 GLY 1 N 0.0065 0.0001 -0.0212 10022 GLY 1 CA 0.0048 -0.0006 -0.0194 10023 GLY 1 C 0.0066 0.0003 -0.0184 10024 GLY 1 O 0.0076 0.0007 -0.0204 10025 GLY 1 H1 0.0053 -0.0005 -0.0217 10026 GLY 1 H2 0.0083 0.0011 -0.0199 10027 GLY 1 H3 0.0073 0.0003 -0.0233 10028 GLY 1 HA2 0.0031 -0.0015 -0.0208 10029 GLY 1 HA3 0.0039 -0.0009 -0.0173 10030 GLY 2 N 0.0069 0.0007 -0.0154 10031 GLY 2 CA 0.0085 0.0015 -0.0142 10032 GLY 2 C 0.0089 0.0019 -0.0106 10033 GLY 2 O 0.0079 0.0016 -0.0092 10034 GLY 2 H 0.0060 0.0003 -0.0139 10035 GLY 2 HA2 0.0106 0.0025 -0.0153 10036 GLY 2 HA3 0.0074 0.0010 -0.0147 10037 SER 3 N 0.0103 0.0027 -0.0093 10038 SER 3 CA 0.0108 0.0032 -0.0059 10039 SER 3 C 0.0104 0.0031 -0.0046 10040 SER 3 O 0.0097 0.0026 -0.0064 10041 SER 3 CB 0.0138 0.0046 -0.0053 10042 SER 3 OG 0.0138 0.0048 -0.0026 10043 SER 3 H 0.0111 0.0030 -0.0106 10044 SER 3 HA 0.0092 0.0025 -0.0048 10045 SER 3 HB2 0.0146 0.0049 -0.0073 10046 SER 3 HB3 0.0152 0.0053 -0.0049 10047 SER 3 HG 0.0130 0.0044 -0.0032 10048 MET 4 N 0.0110 0.0035 -0.0016 10049 MET 4 CA 0.0107 0.0035 -0.0000 10050 MET 4 C 0.0078 0.0021 -0.0004 10051 MET 4 O 0.0074 0.0018 -0.0022 10052 MET 4 CB 0.0130 0.0045 -0.0013 10053 MET 4 CG 0.0135 0.0049 0.0008 10054 MET 4 SD 0.0159 0.0059 -0.0010 10055 MET 4 CE 0.0137 0.0047 -0.0039 10056 MET 4 H 0.0116 0.0039 -0.0004 10057 MET 4 HA 0.0110 0.0038 0.0024 10058 MET 4 HB2 0.0150 0.0055 -0.0016 10059 MET 4 HB3 0.0124 0.0041 -0.0036 10060 MET 4 HG2 0.0115 0.0040 0.0013 10061 MET 4 HG3 0.0144 0.0055 0.0030 10062 MET 4 HE1 0.0133 0.0044 -0.0057 10063 MET 4 HE2 0.0148 0.0051 -0.0051 10064 MET 4 HE3 0.0117 0.0038 -0.0029 10065 ARG 5 N 0.0056 0.0012 0.0011 10066 ARG 5 CA 0.0027 -0.0002 0.0009 10067 ARG 5 C 0.0024 -0.0003 0.0027 10068 ARG 5 O 0.0034 0.0004 0.0053 10069 ARG 5 CB 0.0006 -0.0011 0.0023 10070 ARG 5 CG 0.0004 -0.0014 0.0004 10071 ARG 5 CD 0.0028 -0.0002 0.0010 10072 ARG 5 NE 0.0028 -0.0003 -0.0011 10073 ARG 5 CZ 0.0048 0.0006 -0.0010 10074 ARG 5 NH1 0.0069 0.0018 0.0009 10075 ARG 5 NH2 0.0046 0.0004 -0.0030 10076 ARG 5 H 0.0061 0.0015 0.0025 10077 ARG 5 HA 0.0023 -0.0006 -0.0015 10078 ARG 5 HB2 0.0013 -0.0007 0.0047 10079 ARG 5 HB3 -0.0015 -0.0021 0.0025 10080 ARG 5 HG2 -0.0016 -0.0023 0.0009 10081 ARG 5 HG3 0.0005 -0.0015 -0.0021 10082 ARG 5 HD2 0.0048 0.0007 0.0007 10083 ARG 5 HD3 0.0026 -0.0001 0.0034 10084 ARG 5 HE 0.0012 -0.0012 -0.0026 10085 ARG 5 HH11 0.0071 0.0019 0.0024 10086 ARG 5 HH12 0.0084 0.0025 0.0010 10087 ARG 5 HH21 0.0030 -0.0005 -0.0045 10088 ARG 5 HH22 0.0061 0.0011 -0.0030 10089 PRO 6 N 0.0011 -0.0010 0.0012 10090 PRO 6 CA 0.0007 -0.0011 0.0026 10091 PRO 6 C -0.0019 -0.0022 0.0048 10092 PRO 6 O -0.0043 -0.0034 0.0036 10093 PRO 6 CB 0.0005 -0.0014 -0.0003 10094 PRO 6 CG 0.0005 -0.0015 -0.0031 10095 PRO 6 CD -0.0002 -0.0018 -0.0019 10096 PRO 6 HA 0.0026 -0.0001 0.0040 10097 PRO 6 HB2 -0.0015 -0.0023 -0.0001 10098 PRO 6 HB3 0.0023 -0.0005 -0.0003 10099 PRO 6 HG2 -0.0010 -0.0024 -0.0047 10100 PRO 6 HG3 0.0026 -0.0006 -0.0042 10101 PRO 6 HD2 -0.0025 -0.0029 -0.0017 10102 PRO 6 HD3 0.0007 -0.0015 -0.0034 10103 PRO 7 N -0.0026 -0.0037 0.0021 10104 PRO 7 CA -0.0023 -0.0035 0.0018 10105 PRO 7 C -0.0018 -0.0030 0.0014 10106 PRO 7 O -0.0016 -0.0032 0.0011 10107 PRO 7 CB -0.0022 -0.0042 0.0014 10108 PRO 7 CG -0.0026 -0.0047 0.0016 10109 PRO 7 CD -0.0028 -0.0044 0.0020 10110 PRO 7 HA -0.0024 -0.0032 0.0020 10111 PRO 7 HB2 -0.0019 -0.0042 0.0010 10112 PRO 7 HB3 -0.0022 -0.0042 0.0014 10113 PRO 7 HG2 -0.0025 -0.0052 0.0013 10114 PRO 7 HG3 -0.0029 -0.0048 0.0019 10115 PRO 7 HD2 -0.0026 -0.0045 0.0017 10116 PRO 7 HD3 -0.0032 -0.0046 0.0023 10117 ILE 8 N -0.0016 -0.0024 0.0015 10118 ILE 8 CA -0.0011 -0.0019 0.0012 10119 ILE 8 C -0.0007 -0.0021 0.0006 10120 ILE 8 O -0.0007 -0.0020 0.0006 10121 ILE 8 CB -0.0011 -0.0012 0.0015 10122 ILE 8 CG1 -0.0016 -0.0011 0.0021 10123 ILE 8 CG2 -0.0007 -0.0007 0.0013 10124 ILE 8 CD1 -0.0017 -0.0006 0.0025 10125 ILE 8 H -0.0018 -0.0023 0.0018 10126 ILE 8 HA -0.0011 -0.0020 0.0011 10127 ILE 8 HB -0.0010 -0.0011 0.0014 10128 ILE 8 HG12 -0.0016 -0.0010 0.0022 10129 ILE 8 HG13 -0.0019 -0.0016 0.0022 10130 ILE 8 HG21 -0.0004 -0.0008 0.0008 10131 ILE 8 HG22 -0.0007 -0.0002 0.0015 10132 ILE 8 HG23 -0.0009 -0.0007 0.0014 10133 ILE 8 HD11 -0.0014 -0.0001 0.0024 10134 ILE 8 HD12 -0.0018 -0.0007 0.0026 10135 ILE 8 HD13 -0.0020 -0.0004 0.0029 10136 ILE 9 N -0.0004 -0.0023 0.0001 10137 ILE 9 CA -0.0001 -0.0025 -0.0004 10138 ILE 9 C 0.0004 -0.0019 -0.0006 10139 ILE 9 O 0.0007 -0.0016 -0.0009 10140 ILE 9 CB 0.0001 -0.0030 -0.0009 10141 ILE 9 CG1 -0.0003 -0.0035 -0.0006 10142 ILE 9 CG2 0.0004 -0.0034 -0.0014 10143 ILE 9 CD1 -0.0007 -0.0041 -0.0005 10144 ILE 9 H -0.0005 -0.0024 0.0002 10145 ILE 9 HA -0.0002 -0.0028 -0.0004 10146 ILE 9 HB 0.0004 -0.0027 -0.0011 10147 ILE 9 HG12 -0.0005 -0.0032 -0.0003 10148 ILE 9 HG13 -0.0001 -0.0038 -0.0009 10149 ILE 9 HG21 0.0007 -0.0030 -0.0016 10150 ILE 9 HG22 0.0005 -0.0037 -0.0017 10151 ILE 9 HG23 0.0001 -0.0037 -0.0012 10152 ILE 9 HD11 -0.0009 -0.0045 -0.0004 10153 ILE 9 HD12 -0.0009 -0.0038 -0.0001 10154 ILE 9 HD13 -0.0005 -0.0043 -0.0008 10155 ILE 10 N 0.0004 -0.0017 -0.0006 10156 ILE 10 CA 0.0008 -0.0011 -0.0008 10157 ILE 10 C 0.0012 -0.0014 -0.0014 10158 ILE 10 O 0.0012 -0.0020 -0.0016 10159 ILE 10 CB 0.0007 -0.0008 -0.0005 10160 ILE 10 CG1 0.0003 -0.0006 0.0001 10161 ILE 10 CG2 0.0011 -0.0002 -0.0008 10162 ILE 10 CD1 -0.0000 -0.0008 0.0004 10163 ILE 10 H 0.0001 -0.0019 -0.0004 10164 ILE 10 HA 0.0009 -0.0007 -0.0007 10165 ILE 10 HB 0.0007 -0.0012 -0.0007 10166 ILE 10 HG12 0.0004 -0.0000 0.0002 10167 ILE 10 HG13 0.0000 -0.0008 0.0003 10168 ILE 10 HG21 0.0010 0.0002 -0.0005 10169 ILE 10 HG22 0.0013 0.0001 -0.0008 10170 ILE 10 HG23 0.0014 -0.0003 -0.0012 10171 ILE 10 HD11 -0.0002 -0.0014 0.0002 10172 ILE 10 HD12 -0.0003 -0.0006 0.0008 10173 ILE 10 HD13 0.0002 -0.0006 0.0002 10174 HIS 11 N 0.0017 -0.0009 -0.0017 10175 HIS 11 CA 0.0021 -0.0011 -0.0024 10176 HIS 11 C 0.0024 -0.0006 -0.0025 10177 HIS 11 O 0.0026 0.0001 -0.0025 10178 HIS 11 CB 0.0023 -0.0011 -0.0027 10179 HIS 11 CG 0.0028 -0.0013 -0.0033 10180 HIS 11 ND1 0.0032 -0.0009 -0.0036 10181 HIS 11 CD2 0.0029 -0.0018 -0.0037 10182 HIS 11 CE1 0.0036 -0.0012 -0.0042 10183 HIS 11 NE2 0.0034 -0.0017 -0.0042 10184 HIS 11 H 0.0017 -0.0004 -0.0016 10185 HIS 11 HA 0.0020 -0.0016 -0.0025 10186 HIS 11 HB2 0.0021 -0.0015 -0.0026 10187 HIS 11 HB3 0.0024 -0.0006 -0.0025 10188 HIS 11 HD2 0.0026 -0.0022 -0.0035 10189 HIS 11 HE1 0.0039 -0.0010 -0.0045 10190 HIS 11 HE2 0.0036 -0.0019 -0.0045 10191 ARG 12 N 0.0025 -0.0008 -0.0027 10192 ARG 12 CA 0.0028 -0.0003 -0.0028 10193 ARG 12 C 0.0033 -0.0001 -0.0034 10194 ARG 12 O 0.0036 -0.0005 -0.0038 10195 ARG 12 CB 0.0027 -0.0007 -0.0029 10196 ARG 12 CG 0.0030 -0.0003 -0.0031 10197 ARG 12 CD 0.0029 -0.0007 -0.0031 10198 ARG 12 NE 0.0031 -0.0002 -0.0032 10199 ARG 12 CZ 0.0033 -0.0005 -0.0036 10200 ARG 12 NH1 0.0032 -0.0012 -0.0038 10201 ARG 12 NH2 0.0036 -0.0001 -0.0037 10202 ARG 12 H 0.0023 -0.0013 -0.0027 10203 ARG 12 HA 0.0027 0.0001 -0.0025 10204 ARG 12 HB2 0.0023 -0.0009 -0.0026 10205 ARG 12 HB3 0.0029 -0.0011 -0.0033 10206 ARG 12 HG2 0.0034 -0.0001 -0.0034 10207 ARG 12 HG3 0.0029 0.0002 -0.0027 10208 ARG 12 HD2 0.0025 -0.0008 -0.0027 10209 ARG 12 HD3 0.0030 -0.0011 -0.0034 10210 ARG 12 HE 0.0032 0.0003 -0.0031 10211 ARG 12 HH11 0.0030 -0.0015 -0.0037 10212 ARG 12 HH12 0.0034 -0.0014 -0.0041 10213 ARG 12 HH21 0.0036 0.0004 -0.0035 10214 ARG 12 HH22 0.0037 -0.0003 -0.0039 10215 ALA 13 N 0.0038 0.0005 -0.0035 10216 ALA 13 CA 0.0044 0.0009 -0.0040 10217 ALA 13 C 0.0049 0.0011 -0.0044 10218 ALA 13 O 0.0053 0.0018 -0.0044 10219 ALA 13 CB 0.0045 0.0016 -0.0037 10220 ALA 13 H 0.0035 0.0008 -0.0030 10221 ALA 13 HA 0.0045 0.0004 -0.0043 10222 ALA 13 HB1 0.0050 0.0019 -0.0040 10223 ALA 13 HB2 0.0045 0.0021 -0.0033 10224 ALA 13 HB3 0.0042 0.0015 -0.0033 10225 GLY 14 N 0.0048 0.0005 -0.0046 10226 GLY 14 CA 0.0053 0.0006 -0.0050 10227 GLY 14 C 0.0050 0.0010 -0.0045 10228 GLY 14 O 0.0051 0.0008 -0.0047 10229 GLY 14 H 0.0045 -0.0001 -0.0046 10230 GLY 14 HA2 0.0053 -0.0000 -0.0053 10231 GLY 14 HA3 0.0057 0.0010 -0.0053 10232 LYS 15 N 0.0048 0.0016 -0.0040 10233 LYS 15 CA 0.0045 0.0020 -0.0035 10234 LYS 15 C 0.0039 0.0015 -0.0030 10235 LYS 15 O 0.0037 0.0010 -0.0032 10236 LYS 15 CB 0.0046 0.0028 -0.0031 10237 LYS 15 CG 0.0046 0.0029 -0.0030 10238 LYS 15 CD 0.0046 0.0038 -0.0025 10239 LYS 15 CE 0.0052 0.0044 -0.0028 10240 LYS 15 NZ 0.0052 0.0053 -0.0024 10241 LYS 15 H 0.0048 0.0017 -0.0039 10242 LYS 15 HA 0.0048 0.0020 -0.0038 10243 LYS 15 HB2 0.0042 0.0030 -0.0026 10244 LYS 15 HB3 0.0051 0.0033 -0.0033 10245 LYS 15 HG2 0.0050 0.0028 -0.0035 10246 LYS 15 HG3 0.0041 0.0025 -0.0028 10247 LYS 15 HD2 0.0045 0.0038 -0.0024 10248 LYS 15 HD3 0.0042 0.0039 -0.0021 10249 LYS 15 HE2 0.0053 0.0044 -0.0029 10250 LYS 15 HE3 0.0056 0.0043 -0.0033 10251 LYS 15 HZ1 0.0048 0.0054 -0.0019 10252 LYS 15 HZ2 0.0052 0.0053 -0.0023 10253 LYS 15 HZ3 0.0057 0.0057 -0.0026 10254 LYS 16 N 0.0034 0.0016 -0.0025 10255 LYS 16 CA 0.0027 0.0012 -0.0020 10256 LYS 16 C 0.0023 0.0011 -0.0016 10257 LYS 16 O 0.0025 0.0013 -0.0017 10258 LYS 16 CB 0.0025 0.0016 -0.0015 10259 LYS 16 CG 0.0028 0.0026 -0.0013 10260 LYS 16 CD 0.0026 0.0030 -0.0009 10261 LYS 16 CE 0.0032 0.0038 -0.0010 10262 LYS 16 NZ 0.0032 0.0044 -0.0008 10263 LYS 16 H 0.0035 0.0020 -0.0024 10264 LYS 16 HA 0.0027 0.0006 -0.0023 10265 LYS 16 HB2 0.0020 0.0014 -0.0011 10266 LYS 16 HB3 0.0027 0.0015 -0.0018 10267 LYS 16 HG2 0.0033 0.0028 -0.0017 10268 LYS 16 HG3 0.0025 0.0027 -0.0010 10269 LYS 16 HD2 0.0022 0.0032 -0.0003 10270 LYS 16 HD3 0.0025 0.0026 -0.0010 10271 LYS 16 HE2 0.0030 0.0041 -0.0008 10272 LYS 16 HE3 0.0036 0.0037 -0.0016 10273 LYS 16 HZ1 0.0035 0.0050 -0.0007 10274 LYS 16 HZ2 0.0028 0.0044 -0.0003 10275 LYS 16 HZ3 0.0035 0.0043 -0.0011 10276 TYR 17 N 0.0016 0.0008 -0.0011 10277 TYR 17 CA 0.0012 0.0006 -0.0007 10278 TYR 17 C 0.0010 0.0014 -0.0001 10279 TYR 17 O 0.0006 0.0014 0.0004 10280 TYR 17 CB 0.0006 -0.0001 -0.0004 10281 TYR 17 CG 0.0007 -0.0009 -0.0010 10282 TYR 17 CD1 0.0008 -0.0010 -0.0012 10283 TYR 17 CD2 0.0008 -0.0014 -0.0014 10284 TYR 17 CE1 0.0010 -0.0017 -0.0017 10285 TYR 17 CE2 0.0009 -0.0021 -0.0019 10286 TYR 17 CZ 0.0010 -0.0022 -0.0021 10287 TYR 17 OH 0.0012 -0.0029 -0.0026 10288 TYR 17 H 0.0015 0.0006 -0.0010 10289 TYR 17 HA 0.0014 0.0005 -0.0010 10290 TYR 17 HB2 0.0003 0.0000 -0.0001 10291 TYR 17 HB3 0.0003 -0.0003 -0.0002 10292 TYR 17 HD1 0.0008 -0.0006 -0.0009 10293 TYR 17 HD2 0.0007 -0.0013 -0.0012 10294 TYR 17 HE1 0.0011 -0.0018 -0.0019 10295 TYR 17 HE2 0.0010 -0.0025 -0.0022 10296 TYR 17 HH 0.0013 -0.0031 -0.0029 10297 GLY 18 N 0.0013 0.0020 -0.0001 10298 GLY 18 CA 0.0013 0.0028 0.0004 10299 GLY 18 C 0.0006 0.0028 0.0012 10300 GLY 18 O 0.0004 0.0032 0.0016 10301 GLY 18 H 0.0016 0.0019 -0.0004 10302 GLY 18 HA2 0.0015 0.0032 0.0004 10303 GLY 18 HA3 0.0015 0.0031 0.0004 10304 PHE 19 N -0.0011 0.0012 0.0020 10305 PHE 19 CA -0.0013 0.0012 0.0025 10306 PHE 19 C -0.0013 0.0012 0.0025 10307 PHE 19 O -0.0013 0.0011 0.0021 10308 PHE 19 CB -0.0017 0.0007 0.0027 10309 PHE 19 CG -0.0020 0.0003 0.0025 10310 PHE 19 CD1 -0.0020 0.0001 0.0019 10311 PHE 19 CD2 -0.0023 0.0001 0.0028 10312 PHE 19 CE1 -0.0023 -0.0003 0.0016 10313 PHE 19 CE2 -0.0025 -0.0003 0.0025 10314 PHE 19 CZ -0.0025 -0.0005 0.0019 10315 PHE 19 H -0.0011 0.0012 0.0016 10316 PHE 19 HA -0.0012 0.0015 0.0028 10317 PHE 19 HB2 -0.0018 0.0008 0.0032 10318 PHE 19 HB3 -0.0018 0.0007 0.0027 10319 PHE 19 HD1 -0.0018 0.0003 0.0016 10320 PHE 19 HD2 -0.0023 0.0002 0.0032 10321 PHE 19 HE1 -0.0023 -0.0005 0.0012 10322 PHE 19 HE2 -0.0027 -0.0005 0.0028 10323 PHE 19 HZ -0.0027 -0.0008 0.0017 10324 THR 20 N -0.0012 0.0015 0.0030 10325 THR 20 CA -0.0012 0.0015 0.0032 10326 THR 20 C -0.0016 0.0011 0.0034 10327 THR 20 O -0.0018 0.0010 0.0039 10328 THR 20 CB -0.0009 0.0020 0.0036 10329 THR 20 OG1 -0.0006 0.0024 0.0033 10330 THR 20 CG2 -0.0009 0.0021 0.0037 10331 THR 20 H -0.0012 0.0016 0.0034 10332 THR 20 HA -0.0010 0.0016 0.0027 10333 THR 20 HB -0.0011 0.0020 0.0040 10334 THR 20 HG1 -0.0006 0.0023 0.0032 10335 THR 20 HG21 -0.0008 0.0024 0.0041 10336 THR 20 HG22 -0.0007 0.0023 0.0034 10337 THR 20 HG23 -0.0012 0.0018 0.0038 10338 LEU 21 N -0.0017 0.0009 0.0031 10339 LEU 21 CA -0.0020 0.0005 0.0033 10340 LEU 21 C -0.0020 0.0007 0.0036 10341 LEU 21 O -0.0019 0.0007 0.0034 10342 LEU 21 CB -0.0022 0.0001 0.0028 10343 LEU 21 CG -0.0027 -0.0004 0.0029 10344 LEU 21 CD1 -0.0028 -0.0004 0.0034 10345 LEU 21 CD2 -0.0028 -0.0007 0.0024 10346 LEU 21 H -0.0015 0.0010 0.0027 10347 LEU 21 HA -0.0023 0.0004 0.0036 10348 LEU 21 HB2 -0.0021 0.0001 0.0024 10349 LEU 21 HB3 -0.0021 0.0002 0.0026 10350 LEU 21 HG -0.0028 -0.0005 0.0029 10351 LEU 21 HD11 -0.0032 -0.0008 0.0035 10352 LEU 21 HD12 -0.0027 -0.0003 0.0034 10353 LEU 21 HD13 -0.0028 -0.0002 0.0038 10354 LEU 21 HD21 -0.0031 -0.0011 0.0024 10355 LEU 21 HD22 -0.0026 -0.0007 0.0020 10356 LEU 21 HD23 -0.0027 -0.0006 0.0023 10357 ARG 22 N -0.0020 0.0009 0.0042 10358 ARG 22 CA -0.0019 0.0011 0.0045 10359 ARG 22 C -0.0023 0.0007 0.0047 10360 ARG 22 O -0.0026 0.0004 0.0049 10361 ARG 22 CB -0.0019 0.0014 0.0051 10362 ARG 22 CG -0.0016 0.0018 0.0054 10363 ARG 22 CD -0.0012 0.0022 0.0051 10364 ARG 22 NE -0.0009 0.0027 0.0054 10365 ARG 22 CZ -0.0005 0.0031 0.0053 10366 ARG 22 NH1 -0.0003 0.0032 0.0048 10367 ARG 22 NH2 -0.0003 0.0035 0.0056 10368 ARG 22 H -0.0020 0.0009 0.0043 10369 ARG 22 HA -0.0016 0.0014 0.0043 10370 ARG 22 HB2 -0.0017 0.0015 0.0050 10371 ARG 22 HB3 -0.0021 0.0011 0.0054 10372 ARG 22 HG2 -0.0016 0.0019 0.0058 10373 ARG 22 HG3 -0.0016 0.0017 0.0053 10374 ARG 22 HD2 -0.0011 0.0022 0.0046 10375 ARG 22 HD3 -0.0011 0.0023 0.0051 10376 ARG 22 HE -0.0010 0.0027 0.0058 10377 ARG 22 HH11 -0.0005 0.0029 0.0045 10378 ARG 22 HH12 -0.0000 0.0035 0.0046 10379 ARG 22 HH21 -0.0004 0.0035 0.0060 10380 ARG 22 HH22 0.0000 0.0038 0.0055 10381 ALA 23 N -0.0022 0.0008 0.0045 10382 ALA 23 CA -0.0025 0.0005 0.0047 10383 ALA 23 C -0.0026 0.0006 0.0053 10384 ALA 23 O -0.0023 0.0010 0.0056 10385 ALA 23 CB -0.0024 0.0005 0.0043 10386 ALA 23 H -0.0019 0.0011 0.0044 10387 ALA 23 HA -0.0027 0.0001 0.0046 10388 ALA 23 HB1 -0.0021 0.0008 0.0044 10389 ALA 23 HB2 -0.0023 0.0004 0.0038 10390 ALA 23 HB3 -0.0026 0.0002 0.0044 10391 ILE 24 N -0.0029 0.0002 0.0056 10392 ILE 24 CA -0.0030 0.0003 0.0062 10393 ILE 24 C -0.0034 -0.0001 0.0063 10394 ILE 24 O -0.0036 -0.0005 0.0061 10395 ILE 24 CB -0.0032 0.0003 0.0066 10396 ILE 24 CG1 -0.0034 -0.0002 0.0064 10397 ILE 24 CG2 -0.0028 0.0007 0.0067 10398 ILE 24 CD1 -0.0036 -0.0003 0.0069 10399 ILE 24 H -0.0031 -0.0001 0.0054 10400 ILE 24 HA -0.0028 0.0006 0.0063 10401 ILE 24 HB -0.0033 0.0002 0.0071 10402 ILE 24 HG12 -0.0033 -0.0001 0.0060 10403 ILE 24 HG13 -0.0037 -0.0005 0.0063 10404 ILE 24 HG21 -0.0026 0.0010 0.0069 10405 ILE 24 HG22 -0.0029 0.0007 0.0070 10406 ILE 24 HG23 -0.0026 0.0008 0.0063 10407 ILE 24 HD11 -0.0039 -0.0004 0.0072 10408 ILE 24 HD12 -0.0038 -0.0005 0.0066 10409 ILE 24 HD13 -0.0034 0.0001 0.0071 10410 ARG 25 N -0.0003 -0.0017 0.0052 10411 ARG 25 CA -0.0002 -0.0001 0.0028 10412 ARG 25 C 0.0001 -0.0005 0.0029 10413 ARG 25 O 0.0022 -0.0018 0.0024 10414 ARG 25 CB 0.0019 -0.0002 0.0004 10415 ARG 25 CG 0.0020 -0.0001 0.0002 10416 ARG 25 CD 0.0038 0.0004 -0.0024 10417 ARG 25 NE 0.0063 -0.0012 -0.0031 10418 ARG 25 CZ 0.0083 -0.0015 -0.0049 10419 ARG 25 NH1 0.0081 -0.0004 -0.0063 10420 ARG 25 NH2 0.0105 -0.0030 -0.0054 10421 ARG 25 H 0.0013 -0.0032 0.0055 10422 ARG 25 HA -0.0020 0.0015 0.0025 10423 ARG 25 HB2 0.0037 -0.0016 0.0005 10424 ARG 25 HB3 0.0017 0.0012 -0.0014 10425 ARG 25 HG2 0.0002 0.0011 0.0005 10426 ARG 25 HG3 0.0027 -0.0017 0.0017 10427 ARG 25 HD2 0.0030 0.0020 -0.0039 10428 ARG 25 HD3 0.0038 0.0003 -0.0025 10429 ARG 25 HE 0.0065 -0.0020 -0.0021 10430 ARG 25 HH11 0.0064 0.0007 -0.0060 10431 ARG 25 HH12 0.0096 -0.0007 -0.0077 10432 ARG 25 HH21 0.0106 -0.0038 -0.0043 10433 ARG 25 HH22 0.0120 -0.0032 -0.0067 10434 VAL 26 N -0.0020 0.0006 0.0037 10435 VAL 26 CA -0.0019 0.0004 0.0040 10436 VAL 26 C -0.0014 0.0018 0.0013 10437 VAL 26 O -0.0030 0.0038 0.0003 10438 VAL 26 CB -0.0043 0.0009 0.0059 10439 VAL 26 CG1 -0.0044 -0.0010 0.0087 10440 VAL 26 CG2 -0.0066 0.0030 0.0056 10441 VAL 26 H -0.0036 0.0016 0.0042 10442 VAL 26 HA -0.0004 -0.0013 0.0046 10443 VAL 26 HB -0.0044 0.0013 0.0055 10444 VAL 26 HG11 -0.0062 -0.0005 0.0101 10445 VAL 26 HG12 -0.0041 -0.0015 0.0091 10446 VAL 26 HG13 -0.0029 -0.0023 0.0090 10447 VAL 26 HG21 -0.0083 0.0035 0.0068 10448 VAL 26 HG22 -0.0064 0.0042 0.0036 10449 VAL 26 HG23 -0.0067 0.0026 0.0063 10450 TYR 27 N 0.0010 0.0009 0.0000 10451 TYR 27 CA 0.0017 0.0020 -0.0025 10452 TYR 27 C 0.0010 0.0024 -0.0022 10453 TYR 27 O 0.0007 0.0012 -0.0001 10454 TYR 27 CB 0.0045 0.0009 -0.0040 10455 TYR 27 CG 0.0052 0.0013 -0.0055 10456 TYR 27 CD1 0.0055 0.0002 -0.0043 10457 TYR 27 CD2 0.0056 0.0029 -0.0081 10458 TYR 27 CE1 0.0062 0.0007 -0.0056 10459 TYR 27 CE2 0.0062 0.0033 -0.0095 10460 TYR 27 CZ 0.0066 0.0022 -0.0083 10461 TYR 27 OH 0.0072 0.0026 -0.0097 10462 TYR 27 H 0.0022 -0.0007 0.0009 10463 TYR 27 HA 0.0007 0.0036 -0.0036 10464 TYR 27 HB2 0.0054 -0.0009 -0.0026 10465 TYR 27 HB3 0.0051 0.0013 -0.0054 10466 TYR 27 HD1 0.0053 -0.0010 -0.0022 10467 TYR 27 HD2 0.0053 0.0038 -0.0091 10468 TYR 27 HE1 0.0065 -0.0002 -0.0047 10469 TYR 27 HE2 0.0065 0.0046 -0.0116 10470 TYR 27 HH 0.0065 0.0042 -0.0110 10471 MET 28 N 0.0008 0.0040 -0.0042 10472 MET 28 CA 0.0001 0.0044 -0.0041 10473 MET 28 C 0.0025 0.0032 -0.0051 10474 MET 28 O 0.0028 0.0042 -0.0069 10475 MET 28 CB -0.0015 0.0068 -0.0057 10476 MET 28 CG -0.0040 0.0081 -0.0047 10477 MET 28 SD -0.0058 0.0072 -0.0013 10478 MET 28 CE -0.0067 0.0082 -0.0017 10479 MET 28 H 0.0011 0.0049 -0.0058 10480 MET 28 HA -0.0009 0.0038 -0.0021 10481 MET 28 HB2 -0.0006 0.0075 -0.0077 10482 MET 28 HB3 -0.0020 0.0071 -0.0056 10483 MET 28 HG2 -0.0036 0.0078 -0.0047 10484 MET 28 HG3 -0.0050 0.0098 -0.0059 10485 MET 28 HE1 -0.0050 0.0074 -0.0025 10486 MET 28 HE2 -0.0077 0.0099 -0.0031 10487 MET 28 HE3 -0.0079 0.0078 0.0001 10488 GLY 29 N 0.0041 0.0011 -0.0039 10489 GLY 29 CA 0.0065 -0.0002 -0.0047 10490 GLY 29 C 0.0082 0.0003 -0.0074 10491 GLY 29 O 0.0087 0.0003 -0.0080 10492 GLY 29 H 0.0038 0.0004 -0.0025 10493 GLY 29 HA2 0.0074 -0.0019 -0.0034 10494 GLY 29 HA3 0.0061 0.0001 -0.0047 10495 ASP 30 N 0.0090 0.0009 -0.0092 10496 ASP 30 CA 0.0107 0.0014 -0.0118 10497 ASP 30 C 0.0092 0.0038 -0.0135 10498 ASP 30 O 0.0089 0.0052 -0.0151 10499 ASP 30 CB 0.0122 0.0010 -0.0130 10500 ASP 30 CG 0.0143 0.0011 -0.0156 10501 ASP 30 OD1 0.0163 -0.0005 -0.0156 10502 ASP 30 OD2 0.0140 0.0029 -0.0177 10503 ASP 30 H 0.0085 0.0009 -0.0086 10504 ASP 30 HA 0.0119 0.0004 -0.0118 10505 ASP 30 HB2 0.0130 -0.0006 -0.0116 10506 ASP 30 HB3 0.0110 0.0022 -0.0133 10507 SER 31 N 0.0071 0.0006 -0.0166 10508 SER 31 CA 0.0056 0.0028 -0.0179 10509 SER 31 C 0.0058 0.0022 -0.0172 10510 SER 31 O 0.0061 0.0007 -0.0149 10511 SER 31 CB 0.0029 0.0047 -0.0167 10512 SER 31 OG 0.0027 0.0053 -0.0174 10513 SER 31 H 0.0076 -0.0007 -0.0150 10514 SER 31 HA 0.0063 0.0033 -0.0203 10515 SER 31 HB2 0.0023 0.0041 -0.0143 10516 SER 31 HB3 0.0019 0.0063 -0.0178 10517 SER 31 HG 0.0043 0.0043 -0.0184 10518 ASP 32 N 0.0055 0.0035 -0.0193 10519 ASP 32 CA 0.0057 0.0031 -0.0189 10520 ASP 32 C 0.0033 0.0043 -0.0168 10521 ASP 32 O 0.0032 0.0039 -0.0157 10522 ASP 32 CB 0.0063 0.0041 -0.0220 10523 ASP 32 CG 0.0070 0.0034 -0.0218 10524 ASP 32 OD1 0.0088 0.0012 -0.0211 10525 ASP 32 OD2 0.0056 0.0050 -0.0223 10526 ASP 32 H 0.0052 0.0047 -0.0211 10527 ASP 32 HA 0.0071 0.0013 -0.0180 10528 ASP 32 HB2 0.0079 0.0034 -0.0235 10529 ASP 32 HB3 0.0048 0.0060 -0.0228 10530 VAL 33 N 0.0014 0.0058 -0.0161 10531 VAL 33 CA -0.0009 0.0071 -0.0141 10532 VAL 33 C -0.0009 0.0054 -0.0108 10533 VAL 33 O -0.0002 0.0041 -0.0098 10534 VAL 33 CB -0.0030 0.0093 -0.0144 10535 VAL 33 CG1 -0.0025 0.0086 -0.0141 10536 VAL 33 CG2 -0.0054 0.0105 -0.0122 10537 VAL 33 H 0.0016 0.0061 -0.0169 10538 VAL 33 HA -0.0012 0.0076 -0.0146 10539 VAL 33 HB -0.0031 0.0105 -0.0167 10540 VAL 33 HG11 -0.0026 0.0075 -0.0118 10541 VAL 33 HG12 -0.0008 0.0077 -0.0156 10542 VAL 33 HG13 -0.0039 0.0102 -0.0147 10543 VAL 33 HG21 -0.0069 0.0121 -0.0127 10544 VAL 33 HG22 -0.0057 0.0108 -0.0124 10545 VAL 33 HG23 -0.0055 0.0094 -0.0099 10546 TYR 34 N -0.0018 0.0055 -0.0093 10547 TYR 34 CA -0.0020 0.0040 -0.0061 10548 TYR 34 C -0.0041 0.0053 -0.0045 10549 TYR 34 O -0.0048 0.0066 -0.0058 10550 TYR 34 CB 0.0003 0.0016 -0.0058 10551 TYR 34 CG 0.0008 0.0017 -0.0068 10552 TYR 34 CD1 0.0017 0.0024 -0.0098 10553 TYR 34 CD2 0.0004 0.0010 -0.0047 10554 TYR 34 CE1 0.0021 0.0025 -0.0107 10555 TYR 34 CE2 0.0008 0.0011 -0.0056 10556 TYR 34 CZ 0.0016 0.0018 -0.0086 10557 TYR 34 OH 0.0021 0.0018 -0.0095 10558 TYR 34 H -0.0024 0.0066 -0.0103 10559 TYR 34 HA -0.0023 0.0038 -0.0051 10560 TYR 34 HB2 0.0003 0.0005 -0.0035 10561 TYR 34 HB3 0.0019 0.0008 -0.0072 10562 TYR 34 HD1 0.0020 0.0029 -0.0115 10563 TYR 34 HD2 -0.0003 0.0005 -0.0023 10564 TYR 34 HE1 0.0027 0.0030 -0.0131 10565 TYR 34 HE2 0.0005 0.0005 -0.0039 10566 TYR 34 HH 0.0012 0.0034 -0.0109 10567 THR 35 N -0.0052 0.0049 -0.0016 10568 THR 35 CA -0.0072 0.0059 0.0001 10569 THR 35 C -0.0064 0.0041 0.0021 10570 THR 35 O -0.0051 0.0021 0.0036 10571 THR 35 CB -0.0093 0.0069 0.0021 10572 THR 35 OG1 -0.0086 0.0064 0.0018 10573 THR 35 CG2 -0.0116 0.0095 0.0014 10574 THR 35 H -0.0047 0.0038 -0.0007 10575 THR 35 HA -0.0079 0.0073 -0.0014 10576 THR 35 HB -0.0096 0.0060 0.0045 10577 THR 35 HG1 -0.0090 0.0077 0.0001 10578 THR 35 HG21 -0.0113 0.0104 -0.0010 10579 THR 35 HG22 -0.0121 0.0099 0.0017 10580 THR 35 HG23 -0.0130 0.0102 0.0028 10581 VAL 36 N -0.0069 0.0047 0.0020 10582 VAL 36 CA -0.0062 0.0031 0.0037 10583 VAL 36 C -0.0079 0.0031 0.0069 10584 VAL 36 O -0.0099 0.0047 0.0076 10585 VAL 36 CB -0.0061 0.0036 0.0023 10586 VAL 36 CG1 -0.0046 0.0016 0.0037 10587 VAL 36 CG2 -0.0049 0.0043 -0.0011 10588 VAL 36 H -0.0079 0.0063 0.0007 10589 VAL 36 HA -0.0044 0.0013 0.0038 10590 VAL 36 HB -0.0079 0.0051 0.0028 10591 VAL 36 HG11 -0.0046 0.0020 0.0027 10592 VAL 36 HG12 -0.0028 0.0000 0.0032 10593 VAL 36 HG13 -0.0055 0.0012 0.0061 10594 VAL 36 HG21 -0.0062 0.0060 -0.0020 10595 VAL 36 HG22 -0.0033 0.0030 -0.0016 10596 VAL 36 HG23 -0.0044 0.0042 -0.0019 10597 HIS 37 N -0.0050 -0.0003 0.0051 10598 HIS 37 CA -0.0051 -0.0004 0.0051 10599 HIS 37 C -0.0047 0.0000 0.0048 10600 HIS 37 O -0.0044 0.0004 0.0048 10601 HIS 37 CB -0.0052 -0.0006 0.0056 10602 HIS 37 CG -0.0056 -0.0010 0.0058 10603 HIS 37 ND1 -0.0058 -0.0014 0.0054 10604 HIS 37 CD2 -0.0058 -0.0012 0.0064 10605 HIS 37 CE1 -0.0061 -0.0017 0.0057 10606 HIS 37 NE2 -0.0061 -0.0016 0.0063 10607 HIS 37 H -0.0048 -0.0001 0.0055 10608 HIS 37 HA -0.0052 -0.0007 0.0047 10609 HIS 37 HB2 -0.0051 -0.0003 0.0060 10610 HIS 37 HB3 -0.0052 -0.0006 0.0056 10611 HIS 37 HD2 -0.0057 -0.0010 0.0068 10612 HIS 37 HE1 -0.0064 -0.0021 0.0056 10613 HIS 37 HE2 -0.0063 -0.0018 0.0066 10614 HIS 38 N -0.0047 -0.0000 0.0048 10615 HIS 38 CA -0.0044 0.0004 0.0046 10616 HIS 38 C -0.0045 0.0004 0.0049 10617 HIS 38 O -0.0048 -0.0000 0.0051 10618 HIS 38 CB -0.0044 0.0003 0.0039 10619 HIS 38 CG -0.0043 0.0003 0.0036 10620 HIS 38 ND1 -0.0040 0.0008 0.0035 10621 HIS 38 CD2 -0.0046 -0.0000 0.0033 10622 HIS 38 CE1 -0.0041 0.0006 0.0032 10623 HIS 38 NE2 -0.0044 0.0002 0.0031 10624 HIS 38 H -0.0050 -0.0003 0.0049 10625 HIS 38 HA -0.0042 0.0007 0.0047 10626 HIS 38 HB2 -0.0046 0.0000 0.0038 10627 HIS 38 HB3 -0.0041 0.0006 0.0038 10628 HIS 38 HD2 -0.0049 -0.0004 0.0033 10629 HIS 38 HE1 -0.0039 0.0009 0.0031 10630 HIS 38 HE2 -0.0046 -0.0000 0.0030 10631 MET 39 N -0.0042 0.0007 0.0049 10632 MET 39 CA -0.0042 0.0008 0.0051 10633 MET 39 C -0.0039 0.0011 0.0048 10634 MET 39 O -0.0036 0.0015 0.0046 10635 MET 39 CB -0.0041 0.0009 0.0058 10636 MET 39 CG -0.0042 0.0009 0.0061 10637 MET 39 SD -0.0040 0.0012 0.0068 10638 MET 39 CE -0.0043 0.0008 0.0072 10639 MET 39 H -0.0039 0.0010 0.0046 10640 MET 39 HA -0.0044 0.0004 0.0051 10641 MET 39 HB2 -0.0043 0.0008 0.0060 10642 MET 39 HB3 -0.0038 0.0013 0.0058 10643 MET 39 HG2 -0.0040 0.0010 0.0059 10644 MET 39 HG3 -0.0045 0.0005 0.0061 10645 MET 39 HE1 -0.0042 0.0010 0.0076 10646 MET 39 HE2 -0.0043 0.0008 0.0069 10647 MET 39 HE3 -0.0046 0.0005 0.0072 10648 VAL 40 N -0.0040 0.0010 0.0047 10649 VAL 40 CA -0.0037 0.0013 0.0044 10650 VAL 40 C -0.0034 0.0017 0.0048 10651 VAL 40 O -0.0035 0.0016 0.0052 10652 VAL 40 CB -0.0039 0.0010 0.0041 10653 VAL 40 CG1 -0.0042 0.0007 0.0046 10654 VAL 40 CG2 -0.0036 0.0013 0.0039 10655 VAL 40 H -0.0042 0.0007 0.0048 10656 VAL 40 HA -0.0036 0.0014 0.0040 10657 VAL 40 HB -0.0041 0.0007 0.0038 10658 VAL 40 HG11 -0.0043 0.0005 0.0044 10659 VAL 40 HG12 -0.0040 0.0010 0.0050 10660 VAL 40 HG13 -0.0043 0.0005 0.0048 10661 VAL 40 HG21 -0.0034 0.0016 0.0037 10662 VAL 40 HG22 -0.0035 0.0015 0.0042 10663 VAL 40 HG23 -0.0037 0.0011 0.0036 10664 TRP 41 N -0.0031 0.0021 0.0047 10665 TRP 41 CA -0.0028 0.0025 0.0050 10666 TRP 41 C -0.0027 0.0027 0.0049 10667 TRP 41 O -0.0026 0.0029 0.0054 10668 TRP 41 CB -0.0025 0.0028 0.0048 10669 TRP 41 CG -0.0023 0.0032 0.0054 10670 TRP 41 CD1 -0.0020 0.0036 0.0054 10671 TRP 41 CD2 -0.0025 0.0030 0.0059 10672 TRP 41 NE1 -0.0019 0.0038 0.0059 10673 TRP 41 CE2 -0.0022 0.0034 0.0063 10674 TRP 41 CE3 -0.0029 0.0026 0.0062 10675 TRP 41 CZ2 -0.0023 0.0034 0.0069 10676 TRP 41 CZ3 -0.0029 0.0026 0.0068 10677 TRP 41 CH2 -0.0026 0.0030 0.0071 10678 TRP 41 H -0.0031 0.0021 0.0043 10679 TRP 41 HA -0.0029 0.0024 0.0055 10680 TRP 41 HB2 -0.0027 0.0027 0.0047 10681 TRP 41 HB3 -0.0023 0.0031 0.0045 10682 TRP 41 HD1 -0.0018 0.0038 0.0050 10683 TRP 41 HE1 -0.0017 0.0041 0.0060 10684 TRP 41 HE3 -0.0031 0.0023 0.0059 10685 TRP 41 HZ2 -0.0021 0.0037 0.0071 10686 TRP 41 HZ3 -0.0032 0.0022 0.0070 10687 TRP 41 HH2 -0.0027 0.0030 0.0075 10688 HIS 42 N -0.0026 0.0027 0.0044 10689 HIS 42 CA -0.0025 0.0029 0.0042 10690 HIS 42 C -0.0026 0.0026 0.0037 10691 HIS 42 O -0.0026 0.0026 0.0032 10692 HIS 42 CB -0.0021 0.0034 0.0042 10693 HIS 42 CG -0.0019 0.0037 0.0043 10694 HIS 42 ND1 -0.0017 0.0039 0.0049 10695 HIS 42 CD2 -0.0018 0.0037 0.0041 10696 HIS 42 CE1 -0.0016 0.0041 0.0049 10697 HIS 42 NE2 -0.0016 0.0040 0.0044 10698 HIS 42 H -0.0027 0.0025 0.0041 10699 HIS 42 HA -0.0025 0.0028 0.0046 10700 HIS 42 HB2 -0.0020 0.0035 0.0044 10701 HIS 42 HB3 -0.0020 0.0034 0.0037 10702 HIS 42 HD2 -0.0019 0.0035 0.0037 10703 HIS 42 HE1 -0.0014 0.0044 0.0053 10704 HIS 42 HE2 -0.0015 0.0041 0.0043 10705 VAL 43 N -0.0020 0.0039 0.0030 10706 VAL 43 CA -0.0014 0.0035 0.0025 10707 VAL 43 C -0.0006 0.0042 0.0022 10708 VAL 43 O -0.0007 0.0050 0.0025 10709 VAL 43 CB -0.0017 0.0030 0.0025 10710 VAL 43 CG1 -0.0021 0.0036 0.0030 10711 VAL 43 CG2 -0.0011 0.0026 0.0020 10712 VAL 43 H -0.0022 0.0044 0.0033 10713 VAL 43 HA -0.0012 0.0030 0.0022 10714 VAL 43 HB -0.0021 0.0024 0.0027 10715 VAL 43 HG11 -0.0026 0.0038 0.0034 10716 VAL 43 HG12 -0.0023 0.0032 0.0030 10717 VAL 43 HG13 -0.0017 0.0042 0.0029 10718 VAL 43 HG21 -0.0008 0.0021 0.0017 10719 VAL 43 HG22 -0.0006 0.0031 0.0018 10720 VAL 43 HG23 -0.0013 0.0022 0.0020 10721 GLU 44 N 0.0000 0.0041 0.0016 10722 GLU 44 CA 0.0008 0.0047 0.0013 10723 GLU 44 C 0.0010 0.0047 0.0011 10724 GLU 44 O 0.0012 0.0040 0.0008 10725 GLU 44 CB 0.0014 0.0043 0.0008 10726 GLU 44 CG 0.0012 0.0042 0.0009 10727 GLU 44 CD 0.0018 0.0040 0.0004 10728 GLU 44 OE1 0.0019 0.0032 0.0001 10729 GLU 44 OE2 0.0023 0.0047 0.0003 10730 GLU 44 H 0.0000 0.0035 0.0015 10731 GLU 44 HA 0.0007 0.0054 0.0016 10732 GLU 44 HB2 0.0015 0.0037 0.0005 10733 GLU 44 HB3 0.0019 0.0048 0.0005 10734 GLU 44 HG2 0.0010 0.0048 0.0012 10735 GLU 44 HG3 0.0007 0.0036 0.0011 10736 ASP 45 N 0.0011 0.0056 0.0013 10737 ASP 45 CA 0.0014 0.0057 0.0012 10738 ASP 45 C 0.0023 0.0060 0.0006 10739 ASP 45 O 0.0026 0.0065 0.0006 10740 ASP 45 CB 0.0010 0.0065 0.0017 10741 ASP 45 CG 0.0012 0.0074 0.0018 10742 ASP 45 OD1 0.0011 0.0074 0.0019 10743 ASP 45 OD2 0.0015 0.0082 0.0019 10744 ASP 45 H 0.0010 0.0061 0.0016 10745 ASP 45 HA 0.0012 0.0051 0.0012 10746 ASP 45 HB2 0.0012 0.0067 0.0016 10747 ASP 45 HB3 0.0004 0.0063 0.0021 10748 GLY 46 N 0.0027 0.0055 0.0002 10749 GLY 46 CA 0.0035 0.0057 -0.0003 10750 GLY 46 C 0.0039 0.0050 -0.0008 10751 GLY 46 O 0.0045 0.0052 -0.0012 10752 GLY 46 H 0.0024 0.0051 0.0003 10753 GLY 46 HA2 0.0037 0.0064 -0.0003 10754 GLY 46 HA3 0.0037 0.0056 -0.0005 10755 GLY 47 N 0.0034 0.0042 -0.0007 10756 GLY 47 CA 0.0037 0.0035 -0.0011 10757 GLY 47 C 0.0031 0.0025 -0.0010 10758 GLY 47 O 0.0030 0.0022 -0.0010 10759 GLY 47 H 0.0028 0.0040 -0.0003 10760 GLY 47 HA2 0.0038 0.0037 -0.0011 10761 GLY 47 HA3 0.0042 0.0033 -0.0015 10762 PRO 48 N 0.0028 0.0021 -0.0009 10763 PRO 48 CA 0.0023 0.0012 -0.0008 10764 PRO 48 C 0.0015 0.0012 -0.0002 10765 PRO 48 O 0.0015 0.0015 -0.0001 10766 PRO 48 CB 0.0021 0.0011 -0.0007 10767 PRO 48 CG 0.0028 0.0016 -0.0011 10768 PRO 48 CD 0.0030 0.0025 -0.0009 10769 PRO 48 HA 0.0026 0.0007 -0.0011 10770 PRO 48 HB2 0.0016 0.0014 -0.0003 10771 PRO 48 HB3 0.0020 0.0004 -0.0009 10772 PRO 48 HG2 0.0027 0.0018 -0.0009 10773 PRO 48 HG3 0.0033 0.0012 -0.0015 10774 PRO 48 HD2 0.0026 0.0030 -0.0005 10775 PRO 48 HD3 0.0036 0.0028 -0.0013 10776 ALA 49 N 0.0010 0.0008 0.0003 10777 ALA 49 CA 0.0003 0.0007 0.0007 10778 ALA 49 C 0.0001 0.0014 0.0010 10779 ALA 49 O -0.0001 0.0013 0.0011 10780 ALA 49 CB -0.0003 0.0005 0.0011 10781 ALA 49 H 0.0010 0.0007 0.0002 10782 ALA 49 HA 0.0003 0.0001 0.0006 10783 ALA 49 HB1 -0.0006 -0.0001 0.0012 10784 ALA 49 HB2 -0.0007 0.0010 0.0014 10785 ALA 49 HB3 -0.0001 0.0004 0.0009 10786 SER 50 N 0.0002 0.0022 0.0010 10787 SER 50 CA 0.0001 0.0029 0.0013 10788 SER 50 C 0.0005 0.0030 0.0010 10789 SER 50 O 0.0002 0.0030 0.0012 10790 SER 50 CB 0.0002 0.0038 0.0013 10791 SER 50 OG -0.0004 0.0040 0.0018 10792 SER 50 H 0.0005 0.0023 0.0009 10793 SER 50 HA -0.0005 0.0028 0.0016 10794 SER 50 HB2 0.0006 0.0037 0.0010 10795 SER 50 HB3 0.0004 0.0043 0.0012 10796 SER 50 HG -0.0008 0.0037 0.0020 10797 GLU 51 N 0.0012 0.0031 0.0005 10798 GLU 51 CA 0.0016 0.0032 0.0002 10799 GLU 51 C 0.0015 0.0024 0.0001 10800 GLU 51 O 0.0017 0.0025 0.0001 10801 GLU 51 CB 0.0024 0.0034 -0.0003 10802 GLU 51 CG 0.0026 0.0042 -0.0003 10803 GLU 51 CD 0.0030 0.0049 -0.0005 10804 GLU 51 OE1 0.0027 0.0053 -0.0002 10805 GLU 51 OE2 0.0036 0.0050 -0.0009 10806 GLU 51 H 0.0014 0.0031 0.0004 10807 GLU 51 HA 0.0015 0.0037 0.0004 10808 GLU 51 HB2 0.0025 0.0029 -0.0005 10809 GLU 51 HB3 0.0027 0.0034 -0.0005 10810 GLU 51 HG2 0.0021 0.0044 0.0001 10811 GLU 51 HG3 0.0029 0.0041 -0.0005 10812 ALA 52 N 0.0013 0.0017 0.0002 10813 ALA 52 CA 0.0011 0.0009 0.0002 10814 ALA 52 C 0.0005 0.0009 0.0006 10815 ALA 52 O 0.0004 0.0005 0.0006 10816 ALA 52 CB 0.0010 0.0002 0.0001 10817 ALA 52 H 0.0012 0.0017 0.0003 10818 ALA 52 HA 0.0016 0.0008 -0.0002 10819 ALA 52 HB1 0.0007 0.0004 0.0004 10820 ALA 52 HB2 0.0015 0.0000 -0.0003 10821 ALA 52 HB3 0.0008 -0.0004 0.0002 10822 GLY 53 N 0.0000 0.0015 0.0010 10823 GLY 53 CA -0.0006 0.0016 0.0015 10824 GLY 53 C -0.0013 0.0016 0.0020 10825 GLY 53 O -0.0018 0.0018 0.0024 10826 GLY 53 H 0.0001 0.0018 0.0010 10827 GLY 53 HA2 -0.0005 0.0022 0.0015 10828 GLY 53 HA3 -0.0007 0.0010 0.0015 10829 LEU 54 N -0.0012 0.0014 0.0019 10830 LEU 54 CA -0.0018 0.0014 0.0023 10831 LEU 54 C -0.0020 0.0023 0.0026 10832 LEU 54 O -0.0016 0.0028 0.0024 10833 LEU 54 CB -0.0017 0.0009 0.0021 10834 LEU 54 CG -0.0023 0.0004 0.0025 10835 LEU 54 CD1 -0.0021 -0.0000 0.0023 10836 LEU 54 CD2 -0.0029 0.0010 0.0030 10837 LEU 54 H -0.0008 0.0012 0.0015 10838 LEU 54 HA -0.0023 0.0011 0.0026 10839 LEU 54 HB2 -0.0013 0.0005 0.0018 10840 LEU 54 HB3 -0.0015 0.0014 0.0021 10841 LEU 54 HG -0.0025 -0.0000 0.0026 10842 LEU 54 HD11 -0.0018 -0.0005 0.0020 10843 LEU 54 HD12 -0.0026 -0.0003 0.0026 10844 LEU 54 HD13 -0.0019 0.0004 0.0022 10845 LEU 54 HD21 -0.0028 0.0013 0.0030 10846 LEU 54 HD22 -0.0034 0.0007 0.0033 10847 LEU 54 HD23 -0.0029 0.0015 0.0031 10848 ARG 55 N -0.0028 0.0013 0.0003 10849 ARG 55 CA -0.0032 0.0018 0.0003 10850 ARG 55 C -0.0036 0.0020 0.0009 10851 ARG 55 O -0.0037 0.0016 0.0013 10852 ARG 55 CB -0.0032 0.0018 0.0003 10853 ARG 55 CG -0.0032 0.0013 0.0007 10854 ARG 55 CD -0.0036 0.0014 0.0013 10855 ARG 55 NE -0.0038 0.0019 0.0012 10856 ARG 55 CZ -0.0042 0.0021 0.0016 10857 ARG 55 NH1 -0.0045 0.0019 0.0021 10858 ARG 55 NH2 -0.0044 0.0026 0.0014 10859 ARG 55 H -0.0028 0.0009 0.0005 10860 ARG 55 HA -0.0031 0.0022 -0.0000 10861 ARG 55 HB2 -0.0035 0.0022 0.0005 10862 ARG 55 HB3 -0.0029 0.0019 -0.0001 10863 ARG 55 HG2 -0.0029 0.0012 0.0005 10864 ARG 55 HG3 -0.0030 0.0009 0.0008 10865 ARG 55 HD2 -0.0036 0.0010 0.0015 10866 ARG 55 HD3 -0.0038 0.0015 0.0015 10867 ARG 55 HE -0.0036 0.0020 0.0008 10868 ARG 55 HH11 -0.0044 0.0016 0.0022 10869 ARG 55 HH12 -0.0048 0.0021 0.0024 10870 ARG 55 HH21 -0.0042 0.0028 0.0011 10871 ARG 55 HH22 -0.0047 0.0028 0.0017 10872 GLN 56 N -0.0039 0.0025 0.0008 10873 GLN 56 CA -0.0043 0.0027 0.0013 10874 GLN 56 C -0.0046 0.0026 0.0017 10875 GLN 56 O -0.0046 0.0027 0.0016 10876 GLN 56 CB -0.0045 0.0033 0.0011 10877 GLN 56 CG -0.0049 0.0035 0.0015 10878 GLN 56 CD -0.0051 0.0041 0.0013 10879 GLN 56 OE1 -0.0048 0.0043 0.0008 10880 GLN 56 NE2 -0.0055 0.0045 0.0016 10881 GLN 56 H -0.0037 0.0028 0.0004 10882 GLN 56 HA -0.0043 0.0024 0.0014 10883 GLN 56 HB2 -0.0043 0.0034 0.0007 10884 GLN 56 HB3 -0.0046 0.0036 0.0010 10885 GLN 56 HG2 -0.0052 0.0035 0.0018 10886 GLN 56 HG3 -0.0048 0.0032 0.0016 10887 GLN 56 HE21 -0.0057 0.0043 0.0020 10888 GLN 56 HE22 -0.0056 0.0049 0.0015 10889 GLY 57 N -0.0049 0.0024 0.0023 10890 GLY 57 CA -0.0051 0.0023 0.0027 10891 GLY 57 C -0.0049 0.0017 0.0029 10892 GLY 57 O -0.0050 0.0016 0.0030 10893 GLY 57 H -0.0049 0.0023 0.0023 10894 GLY 57 HA2 -0.0054 0.0023 0.0031 10895 GLY 57 HA3 -0.0053 0.0026 0.0026 10896 ASP 58 N -0.0046 0.0012 0.0028 10897 ASP 58 CA -0.0044 0.0006 0.0030 10898 ASP 58 C -0.0045 0.0002 0.0034 10899 ASP 58 O -0.0046 0.0003 0.0034 10900 ASP 58 CB -0.0039 0.0004 0.0025 10901 ASP 58 CG -0.0037 -0.0000 0.0025 10902 ASP 58 OD1 -0.0037 -0.0005 0.0028 10903 ASP 58 OD2 -0.0035 0.0001 0.0021 10904 ASP 58 H -0.0046 0.0013 0.0027 10905 ASP 58 HA -0.0045 0.0006 0.0031 10906 ASP 58 HB2 -0.0039 0.0008 0.0021 10907 ASP 58 HB3 -0.0038 0.0001 0.0024 10908 LEU 59 N -0.0046 -0.0002 0.0038 10909 LEU 59 CA -0.0047 -0.0006 0.0042 10910 LEU 59 C -0.0043 -0.0012 0.0041 10911 LEU 59 O -0.0040 -0.0015 0.0039 10912 LEU 59 CB -0.0049 -0.0008 0.0047 10913 LEU 59 CG -0.0050 -0.0013 0.0052 10914 LEU 59 CD1 -0.0053 -0.0012 0.0056 10915 LEU 59 CD2 -0.0051 -0.0016 0.0056 10916 LEU 59 H -0.0045 -0.0002 0.0037 10917 LEU 59 HA -0.0049 -0.0004 0.0044 10918 LEU 59 HB2 -0.0053 -0.0004 0.0049 10919 LEU 59 HB3 -0.0048 -0.0009 0.0046 10920 LEU 59 HG -0.0047 -0.0017 0.0050 10921 LEU 59 HD11 -0.0053 -0.0009 0.0053 10922 LEU 59 HD12 -0.0053 -0.0015 0.0059 10923 LEU 59 HD13 -0.0057 -0.0009 0.0058 10924 LEU 59 HD21 -0.0054 -0.0013 0.0057 10925 LEU 59 HD22 -0.0052 -0.0020 0.0059 10926 LEU 59 HD23 -0.0048 -0.0018 0.0053 10927 ILE 60 N -0.0042 -0.0013 0.0042 10928 ILE 60 CA -0.0039 -0.0018 0.0040 10929 ILE 60 C -0.0039 -0.0024 0.0045 10930 ILE 60 O -0.0042 -0.0024 0.0050 10931 ILE 60 CB -0.0038 -0.0018 0.0039 10932 ILE 60 CG1 -0.0037 -0.0012 0.0034 10933 ILE 60 CG2 -0.0034 -0.0023 0.0038 10934 ILE 60 CD1 -0.0041 -0.0006 0.0035 10935 ILE 60 H -0.0045 -0.0011 0.0043 10936 ILE 60 HA -0.0036 -0.0019 0.0037 10937 ILE 60 HB -0.0041 -0.0017 0.0042 10938 ILE 60 HG12 -0.0036 -0.0013 0.0032 10939 ILE 60 HG13 -0.0035 -0.0013 0.0031 10940 ILE 60 HG21 -0.0034 -0.0023 0.0037 10941 ILE 60 HG22 -0.0031 -0.0025 0.0035 10942 ILE 60 HG23 -0.0035 -0.0027 0.0042 10943 ILE 60 HD11 -0.0042 -0.0005 0.0036 10944 ILE 60 HD12 -0.0040 -0.0003 0.0031 10945 ILE 60 HD13 -0.0044 -0.0006 0.0038 10946 THR 61 N -0.0036 -0.0026 0.0040 10947 THR 61 CA -0.0038 -0.0031 0.0043 10948 THR 61 C -0.0036 -0.0035 0.0039 10949 THR 61 O -0.0037 -0.0038 0.0041 10950 THR 61 CB -0.0038 -0.0035 0.0044 10951 THR 61 OG1 -0.0036 -0.0037 0.0039 10952 THR 61 CG2 -0.0040 -0.0031 0.0048 10953 THR 61 H -0.0035 -0.0026 0.0037 10954 THR 61 HA -0.0039 -0.0030 0.0047 10955 THR 61 HB -0.0040 -0.0039 0.0047 10956 THR 61 HG1 -0.0036 -0.0041 0.0038 10957 THR 61 HG21 -0.0038 -0.0027 0.0045 10958 THR 61 HG22 -0.0041 -0.0029 0.0051 10959 THR 61 HG23 -0.0040 -0.0033 0.0049 10960 HIS 62 N -0.0034 -0.0036 0.0034 10961 HIS 62 CA -0.0033 -0.0040 0.0030 10962 HIS 62 C -0.0030 -0.0036 0.0024 10963 HIS 62 O -0.0029 -0.0032 0.0023 10964 HIS 62 CB -0.0033 -0.0045 0.0028 10965 HIS 62 CG -0.0035 -0.0049 0.0033 10966 HIS 62 ND1 -0.0036 -0.0049 0.0036 10967 HIS 62 CD2 -0.0037 -0.0053 0.0036 10968 HIS 62 CE1 -0.0038 -0.0053 0.0040 10969 HIS 62 NE2 -0.0039 -0.0055 0.0041 10970 HIS 62 H -0.0033 -0.0033 0.0032 10971 HIS 62 HA -0.0033 -0.0041 0.0032 10972 HIS 62 HB2 -0.0032 -0.0044 0.0026 10973 HIS 62 HB3 -0.0032 -0.0048 0.0025 10974 HIS 62 HD2 -0.0036 -0.0054 0.0036 10975 HIS 62 HE1 -0.0039 -0.0054 0.0043 10976 HIS 62 HE2 -0.0040 -0.0059 0.0043 10977 VAL 63 N -0.0029 -0.0038 0.0021 10978 VAL 63 CA -0.0026 -0.0036 0.0016 10979 VAL 63 C -0.0025 -0.0041 0.0011 10980 VAL 63 O -0.0025 -0.0044 0.0012 10981 VAL 63 CB -0.0026 -0.0031 0.0016 10982 VAL 63 CG1 -0.0027 -0.0033 0.0018 10983 VAL 63 CG2 -0.0023 -0.0028 0.0010 10984 VAL 63 H -0.0030 -0.0042 0.0022 10985 VAL 63 HA -0.0025 -0.0034 0.0014 10986 VAL 63 HB -0.0027 -0.0027 0.0019 10987 VAL 63 HG11 -0.0029 -0.0035 0.0022 10988 VAL 63 HG12 -0.0027 -0.0029 0.0019 10989 VAL 63 HG13 -0.0026 -0.0036 0.0015 10990 VAL 63 HG21 -0.0023 -0.0025 0.0010 10991 VAL 63 HG22 -0.0023 -0.0024 0.0010 10992 VAL 63 HG23 -0.0022 -0.0031 0.0007 10993 ASN 64 N -0.0023 -0.0042 0.0007 10994 ASN 64 CA -0.0022 -0.0046 0.0003 10995 ASN 64 C -0.0023 -0.0053 0.0005 10996 ASN 64 O -0.0023 -0.0057 0.0003 10997 ASN 64 CB -0.0020 -0.0045 -0.0001 10998 ASN 64 CG -0.0017 -0.0044 -0.0007 10999 ASN 64 OD1 -0.0016 -0.0042 -0.0008 11000 ASN 64 ND2 -0.0016 -0.0046 -0.0010 11001 ASN 64 H -0.0023 -0.0039 0.0007 11002 ASN 64 HA -0.0020 -0.0047 -0.0000 11003 ASN 64 HB2 -0.0020 -0.0041 0.0001 11004 ASN 64 HB3 -0.0021 -0.0048 -0.0000 11005 ASN 64 HD21 -0.0017 -0.0047 -0.0009 11006 ASN 64 HD22 -0.0014 -0.0045 -0.0014 11007 GLY 65 N -0.0025 -0.0054 0.0010 11008 GLY 65 CA -0.0027 -0.0060 0.0012 11009 GLY 65 C -0.0028 -0.0060 0.0016 11010 GLY 65 O -0.0029 -0.0065 0.0016 11011 GLY 65 H -0.0026 -0.0051 0.0011 11012 GLY 65 HA2 -0.0028 -0.0060 0.0015 11013 GLY 65 HA3 -0.0026 -0.0063 0.0009 11014 GLU 66 N -0.0029 -0.0055 0.0019 11015 GLU 66 CA -0.0031 -0.0055 0.0023 11016 GLU 66 C -0.0032 -0.0050 0.0027 11017 GLU 66 O -0.0032 -0.0045 0.0026 11018 GLU 66 CB -0.0029 -0.0053 0.0019 11019 GLU 66 CG -0.0030 -0.0056 0.0021 11020 GLU 66 CD -0.0031 -0.0062 0.0021 11021 GLU 66 OE1 -0.0033 -0.0065 0.0026 11022 GLU 66 OE2 -0.0030 -0.0066 0.0018 11023 GLU 66 H -0.0029 -0.0052 0.0019 11024 GLU 66 HA -0.0032 -0.0059 0.0024 11025 GLU 66 HB2 -0.0027 -0.0054 0.0015 11026 GLU 66 HB3 -0.0029 -0.0048 0.0019 11027 GLU 66 HG2 -0.0029 -0.0055 0.0018 11028 GLU 66 HG3 -0.0032 -0.0054 0.0025 11029 PRO 67 N -0.0051 -0.0038 0.0023 11030 PRO 67 CA -0.0052 -0.0035 0.0028 11031 PRO 67 C -0.0048 -0.0031 0.0028 11032 PRO 67 O -0.0048 -0.0032 0.0025 11033 PRO 67 CB -0.0055 -0.0039 0.0032 11034 PRO 67 CG -0.0057 -0.0044 0.0028 11035 PRO 67 CD -0.0055 -0.0043 0.0023 11036 PRO 67 HA -0.0051 -0.0034 0.0031 11037 PRO 67 HB2 -0.0055 -0.0037 0.0033 11038 PRO 67 HB3 -0.0057 -0.0039 0.0035 11039 PRO 67 HG2 -0.0056 -0.0044 0.0026 11040 PRO 67 HG3 -0.0060 -0.0046 0.0030 11041 PRO 67 HD2 -0.0055 -0.0045 0.0020 11042 PRO 67 HD3 -0.0056 -0.0045 0.0024 11043 VAL 68 N -0.0047 -0.0027 0.0031 11044 VAL 68 CA -0.0044 -0.0023 0.0031 11045 VAL 68 C -0.0045 -0.0022 0.0034 11046 VAL 68 O -0.0043 -0.0019 0.0035 11047 VAL 68 CB -0.0041 -0.0018 0.0032 11048 VAL 68 CG1 -0.0040 -0.0019 0.0028 11049 VAL 68 CG2 -0.0043 -0.0017 0.0037 11050 VAL 68 H -0.0048 -0.0027 0.0033 11051 VAL 68 HA -0.0042 -0.0023 0.0027 11052 VAL 68 HB -0.0039 -0.0015 0.0031 11053 VAL 68 HG11 -0.0042 -0.0022 0.0027 11054 VAL 68 HG12 -0.0038 -0.0019 0.0024 11055 VAL 68 HG13 -0.0038 -0.0016 0.0029 11056 VAL 68 HG21 -0.0044 -0.0017 0.0040 11057 VAL 68 HG22 -0.0045 -0.0020 0.0038 11058 VAL 68 HG23 -0.0041 -0.0014 0.0038 11059 HIS 69 N -0.0049 -0.0025 0.0038 11060 HIS 69 CA -0.0051 -0.0026 0.0042 11061 HIS 69 C -0.0050 -0.0027 0.0039 11062 HIS 69 O -0.0052 -0.0031 0.0037 11063 HIS 69 CB -0.0055 -0.0030 0.0044 11064 HIS 69 CG -0.0056 -0.0029 0.0047 11065 HIS 69 ND1 -0.0059 -0.0032 0.0051 11066 HIS 69 CD2 -0.0053 -0.0026 0.0047 11067 HIS 69 CE1 -0.0059 -0.0030 0.0053 11068 HIS 69 NE2 -0.0055 -0.0027 0.0051 11069 HIS 69 H -0.0050 -0.0028 0.0037 11070 HIS 69 HA -0.0050 -0.0023 0.0045 11071 HIS 69 HB2 -0.0055 -0.0033 0.0041 11072 HIS 69 HB3 -0.0056 -0.0031 0.0046 11073 HIS 69 HD2 -0.0050 -0.0023 0.0044 11074 HIS 69 HE1 -0.0061 -0.0031 0.0056 11075 HIS 69 HE2 -0.0054 -0.0024 0.0052 11076 GLY 70 N -0.0048 -0.0023 0.0040 11077 GLY 70 CA -0.0047 -0.0023 0.0038 11078 GLY 70 C -0.0044 -0.0021 0.0033 11079 GLY 70 O -0.0042 -0.0020 0.0032 11080 GLY 70 H -0.0046 -0.0019 0.0042 11081 GLY 70 HA2 -0.0048 -0.0021 0.0041 11082 GLY 70 HA3 -0.0049 -0.0027 0.0037 11083 LEU 71 N -0.0042 -0.0020 0.0031 11084 LEU 71 CA -0.0038 -0.0017 0.0026 11085 LEU 71 C -0.0035 -0.0012 0.0028 11086 LEU 71 O -0.0035 -0.0010 0.0032 11087 LEU 71 CB -0.0037 -0.0018 0.0023 11088 LEU 71 CG -0.0039 -0.0023 0.0021 11089 LEU 71 CD1 -0.0038 -0.0023 0.0017 11090 LEU 71 CD2 -0.0040 -0.0026 0.0017 11091 LEU 71 H -0.0043 -0.0020 0.0032 11092 LEU 71 HA -0.0038 -0.0019 0.0024 11093 LEU 71 HB2 -0.0037 -0.0016 0.0026 11094 LEU 71 HB3 -0.0034 -0.0016 0.0021 11095 LEU 71 HG -0.0042 -0.0025 0.0024 11096 LEU 71 HD11 -0.0035 -0.0021 0.0014 11097 LEU 71 HD12 -0.0037 -0.0021 0.0020 11098 LEU 71 HD13 -0.0039 -0.0026 0.0015 11099 LEU 71 HD21 -0.0041 -0.0027 0.0020 11100 LEU 71 HD22 -0.0037 -0.0023 0.0015 11101 LEU 71 HD23 -0.0041 -0.0029 0.0015 11102 VAL 72 N -0.0033 -0.0011 0.0025 11103 VAL 72 CA -0.0030 -0.0006 0.0026 11104 VAL 72 C -0.0027 -0.0002 0.0025 11105 VAL 72 O -0.0027 -0.0004 0.0022 11106 VAL 72 CB -0.0028 -0.0005 0.0024 11107 VAL 72 CG1 -0.0025 -0.0004 0.0018 11108 VAL 72 CG2 -0.0027 -0.0001 0.0027 11109 VAL 72 H -0.0033 -0.0013 0.0022 11110 VAL 72 HA -0.0031 -0.0005 0.0031 11111 VAL 72 HB -0.0030 -0.0009 0.0023 11112 VAL 72 HG11 -0.0024 -0.0005 0.0016 11113 VAL 72 HG12 -0.0023 0.0000 0.0019 11114 VAL 72 HG13 -0.0025 -0.0006 0.0016 11115 VAL 72 HG21 -0.0030 -0.0002 0.0031 11116 VAL 72 HG22 -0.0025 0.0002 0.0028 11117 VAL 72 HG23 -0.0027 -0.0002 0.0026 11118 HIS 73 N -0.0027 -0.0005 0.0031 11119 HIS 73 CA -0.0023 -0.0000 0.0030 11120 HIS 73 C -0.0020 -0.0002 0.0024 11121 HIS 73 O -0.0019 -0.0001 0.0023 11122 HIS 73 CB -0.0020 0.0005 0.0031 11123 HIS 73 CG -0.0017 0.0011 0.0033 11124 HIS 73 ND1 -0.0017 0.0015 0.0038 11125 HIS 73 CD2 -0.0014 0.0013 0.0030 11126 HIS 73 CE1 -0.0014 0.0019 0.0038 11127 HIS 73 NE2 -0.0012 0.0018 0.0033 11128 HIS 73 H -0.0027 -0.0004 0.0033 11129 HIS 73 HA -0.0024 0.0001 0.0033 11130 HIS 73 HB2 -0.0022 0.0005 0.0035 11131 HIS 73 HB3 -0.0018 0.0005 0.0027 11132 HIS 73 HD1 -0.0020 0.0014 0.0041 11133 HIS 73 HD2 -0.0013 0.0010 0.0026 11134 HIS 73 HE1 -0.0014 0.0023 0.0042 11135 THR 74 N -0.0019 -0.0004 0.0019 11136 THR 74 CA -0.0016 -0.0005 0.0013 11137 THR 74 C -0.0019 -0.0011 0.0011 11138 THR 74 O -0.0017 -0.0012 0.0006 11139 THR 74 CB -0.0013 -0.0005 0.0010 11140 THR 74 OG1 -0.0017 -0.0009 0.0010 11141 THR 74 CG2 -0.0011 0.0001 0.0013 11142 THR 74 H -0.0020 -0.0004 0.0021 11143 THR 74 HA -0.0014 -0.0002 0.0013 11144 THR 74 HB -0.0011 -0.0005 0.0005 11145 THR 74 HG1 -0.0016 -0.0012 0.0006 11146 THR 74 HG21 -0.0009 0.0005 0.0013 11147 THR 74 HG22 -0.0010 0.0001 0.0011 11148 THR 74 HG23 -0.0014 0.0001 0.0018 11149 GLU 75 N -0.0023 -0.0015 0.0014 11150 GLU 75 CA -0.0026 -0.0020 0.0012 11151 GLU 75 C -0.0026 -0.0020 0.0012 11152 GLU 75 O -0.0025 -0.0024 0.0007 11153 GLU 75 CB -0.0030 -0.0024 0.0015 11154 GLU 75 CG -0.0031 -0.0027 0.0013 11155 GLU 75 CD -0.0036 -0.0032 0.0016 11156 GLU 75 OE1 -0.0038 -0.0031 0.0021 11157 GLU 75 OE2 -0.0037 -0.0036 0.0012 11158 GLU 75 H -0.0025 -0.0013 0.0018 11159 GLU 75 HA -0.0024 -0.0022 0.0007 11160 GLU 75 HB2 -0.0031 -0.0022 0.0020 11161 GLU 75 HB3 -0.0033 -0.0028 0.0015 11162 GLU 75 HG2 -0.0029 -0.0028 0.0009 11163 GLU 75 HG3 -0.0030 -0.0023 0.0015 11164 VAL 76 N -0.0026 -0.0017 0.0016 11165 VAL 76 CA -0.0026 -0.0017 0.0017 11166 VAL 76 C -0.0022 -0.0014 0.0012 11167 VAL 76 O -0.0021 -0.0017 0.0009 11168 VAL 76 CB -0.0027 -0.0013 0.0023 11169 VAL 76 CG1 -0.0033 -0.0017 0.0027 11170 VAL 76 CG2 -0.0025 -0.0007 0.0025 11171 VAL 76 H -0.0027 -0.0015 0.0020 11172 VAL 76 HA -0.0029 -0.0021 0.0016 11173 VAL 76 HB -0.0027 -0.0012 0.0023 11174 VAL 76 HG11 -0.0034 -0.0021 0.0026 11175 VAL 76 HG12 -0.0033 -0.0014 0.0031 11176 VAL 76 HG13 -0.0033 -0.0017 0.0028 11177 VAL 76 HG21 -0.0023 -0.0008 0.0023 11178 VAL 76 HG22 -0.0027 -0.0007 0.0030 11179 VAL 76 HG23 -0.0022 -0.0004 0.0025 11180 VAL 77 N -0.0018 -0.0010 0.0012 11181 VAL 77 CA -0.0014 -0.0007 0.0007 11182 VAL 77 C -0.0013 -0.0011 0.0001 11183 VAL 77 O -0.0011 -0.0012 -0.0003 11184 VAL 77 CB -0.0010 -0.0002 0.0007 11185 VAL 77 CG1 -0.0005 0.0000 0.0002 11186 VAL 77 CG2 -0.0011 0.0002 0.0013 11187 VAL 77 H -0.0019 -0.0008 0.0014 11188 VAL 77 HA -0.0013 -0.0005 0.0008 11189 VAL 77 HB -0.0011 -0.0004 0.0007 11190 VAL 77 HG11 -0.0003 0.0004 0.0003 11191 VAL 77 HG12 -0.0005 0.0001 0.0002 11192 VAL 77 HG13 -0.0005 -0.0003 -0.0002 11193 VAL 77 HG21 -0.0010 0.0005 0.0014 11194 VAL 77 HG22 -0.0014 0.0000 0.0017 11195 VAL 77 HG23 -0.0009 0.0005 0.0013 11196 GLU 78 N -0.0014 -0.0015 -0.0000 11197 GLU 78 CA -0.0014 -0.0019 -0.0006 11198 GLU 78 C -0.0017 -0.0023 -0.0007 11199 GLU 78 O -0.0015 -0.0025 -0.0012 11200 GLU 78 CB -0.0016 -0.0022 -0.0006 11201 GLU 78 CG -0.0013 -0.0019 -0.0009 11202 GLU 78 CD -0.0014 -0.0024 -0.0012 11203 GLU 78 OE1 -0.0013 -0.0027 -0.0017 11204 GLU 78 OE2 -0.0015 -0.0024 -0.0009 11205 GLU 78 H -0.0016 -0.0014 0.0003 11206 GLU 78 HA -0.0011 -0.0017 -0.0009 11207 GLU 78 HB2 -0.0019 -0.0022 -0.0002 11208 GLU 78 HB3 -0.0017 -0.0027 -0.0009 11209 GLU 78 HG2 -0.0009 -0.0017 -0.0012 11210 GLU 78 HG3 -0.0013 -0.0016 -0.0005 11211 LEU 79 N -0.0016 -0.0036 -0.0001 11212 LEU 79 CA -0.0017 -0.0041 -0.0002 11213 LEU 79 C -0.0014 -0.0038 -0.0005 11214 LEU 79 O -0.0012 -0.0042 -0.0009 11215 LEU 79 CB -0.0022 -0.0042 0.0004 11216 LEU 79 CG -0.0026 -0.0050 0.0005 11217 LEU 79 CD1 -0.0024 -0.0054 0.0000 11218 LEU 79 CD2 -0.0027 -0.0054 0.0004 11219 LEU 79 H -0.0018 -0.0035 0.0003 11220 LEU 79 HA -0.0017 -0.0046 -0.0005 11221 LEU 79 HB2 -0.0024 -0.0039 0.0008 11222 LEU 79 HB3 -0.0022 -0.0039 0.0006 11223 LEU 79 HG -0.0030 -0.0050 0.0010 11224 LEU 79 HD11 -0.0024 -0.0051 0.0001 11225 LEU 79 HD12 -0.0027 -0.0059 0.0001 11226 LEU 79 HD13 -0.0021 -0.0054 -0.0005 11227 LEU 79 HD21 -0.0029 -0.0051 0.0008 11228 LEU 79 HD22 -0.0024 -0.0054 -0.0001 11229 LEU 79 HD23 -0.0030 -0.0059 0.0005 11230 ILE 80 N -0.0012 -0.0031 -0.0003 11231 ILE 80 CA -0.0009 -0.0027 -0.0006 11232 ILE 80 C -0.0004 -0.0027 -0.0013 11233 ILE 80 O -0.0002 -0.0030 -0.0017 11234 ILE 80 CB -0.0008 -0.0020 -0.0002 11235 ILE 80 CG1 -0.0013 -0.0020 0.0004 11236 ILE 80 CG2 -0.0003 -0.0015 -0.0006 11237 ILE 80 CD1 -0.0014 -0.0014 0.0010 11238 ILE 80 H -0.0013 -0.0028 -0.0000 11239 ILE 80 HA -0.0010 -0.0030 -0.0006 11240 ILE 80 HB -0.0008 -0.0017 -0.0001 11241 ILE 80 HG12 -0.0012 -0.0020 0.0004 11242 ILE 80 HG13 -0.0016 -0.0025 0.0006 11243 ILE 80 HG21 -0.0004 -0.0011 -0.0002 11244 ILE 80 HG22 -0.0003 -0.0018 -0.0008 11245 ILE 80 HG23 -0.0000 -0.0013 -0.0009 11246 ILE 80 HD11 -0.0017 -0.0014 0.0014 11247 ILE 80 HD12 -0.0011 -0.0009 0.0009 11248 ILE 80 HD13 -0.0014 -0.0014 0.0011 11249 LEU 81 N -0.0002 -0.0025 -0.0014 11250 LEU 81 CA 0.0003 -0.0025 -0.0020 11251 LEU 81 C 0.0003 -0.0032 -0.0025 11252 LEU 81 O 0.0007 -0.0033 -0.0030 11253 LEU 81 CB 0.0004 -0.0021 -0.0020 11254 LEU 81 CG 0.0005 -0.0014 -0.0016 11255 LEU 81 CD1 0.0005 -0.0012 -0.0015 11256 LEU 81 CD2 0.0009 -0.0009 -0.0019 11257 LEU 81 H -0.0003 -0.0023 -0.0011 11258 LEU 81 HA 0.0006 -0.0021 -0.0022 11259 LEU 81 HB2 0.0002 -0.0025 -0.0019 11260 LEU 81 HB3 0.0008 -0.0021 -0.0025 11261 LEU 81 HG 0.0001 -0.0014 -0.0011 11262 LEU 81 HD11 0.0002 -0.0016 -0.0013 11263 LEU 81 HD12 0.0005 -0.0007 -0.0012 11264 LEU 81 HD13 0.0008 -0.0012 -0.0020 11265 LEU 81 HD21 0.0012 -0.0009 -0.0023 11266 LEU 81 HD22 0.0009 -0.0003 -0.0016 11267 LEU 81 HD23 0.0009 -0.0010 -0.0019 11268 LYS 82 N -0.0001 -0.0037 -0.0022 11269 LYS 82 CA -0.0002 -0.0045 -0.0026 11270 LYS 82 C -0.0001 -0.0048 -0.0028 11271 LYS 82 O 0.0001 -0.0052 -0.0033 11272 LYS 82 CB -0.0007 -0.0049 -0.0021 11273 LYS 82 CG -0.0007 -0.0056 -0.0025 11274 LYS 82 CD -0.0013 -0.0061 -0.0020 11275 LYS 82 CE -0.0015 -0.0059 -0.0016 11276 LYS 82 NZ -0.0020 -0.0064 -0.0012 11277 LYS 82 H -0.0004 -0.0036 -0.0018 11278 LYS 82 HA 0.0001 -0.0045 -0.0030 11279 LYS 82 HB2 -0.0008 -0.0046 -0.0019 11280 LYS 82 HB3 -0.0009 -0.0050 -0.0019 11281 LYS 82 HG2 -0.0006 -0.0059 -0.0029 11282 LYS 82 HG3 -0.0006 -0.0056 -0.0027 11283 LYS 82 HD2 -0.0015 -0.0061 -0.0018 11284 LYS 82 HD3 -0.0013 -0.0067 -0.0023 11285 LYS 82 HE2 -0.0013 -0.0058 -0.0018 11286 LYS 82 HE3 -0.0016 -0.0054 -0.0012 11287 LYS 82 HZ1 -0.0022 -0.0063 -0.0009 11288 LYS 82 HZ2 -0.0020 -0.0069 -0.0015 11289 LYS 82 HZ3 -0.0023 -0.0066 -0.0010 11290 SER 83 N -0.0003 -0.0045 -0.0024 11291 SER 83 CA -0.0003 -0.0048 -0.0026 11292 SER 83 C 0.0002 -0.0046 -0.0032 11293 SER 83 O 0.0003 -0.0051 -0.0036 11294 SER 83 CB -0.0005 -0.0044 -0.0020 11295 SER 83 OG -0.0005 -0.0046 -0.0022 11296 SER 83 H -0.0005 -0.0042 -0.0020 11297 SER 83 HA -0.0005 -0.0053 -0.0026 11298 SER 83 HB2 -0.0009 -0.0045 -0.0016 11299 SER 83 HB3 -0.0003 -0.0038 -0.0020 11300 SER 83 HG -0.0002 -0.0041 -0.0023 11301 GLY 84 N 0.0006 -0.0040 -0.0033 11302 GLY 84 CA 0.0011 -0.0038 -0.0039 11303 GLY 84 C 0.0013 -0.0031 -0.0038 11304 GLY 84 O 0.0013 -0.0026 -0.0035 11305 GLY 84 H 0.0005 -0.0036 -0.0030 11306 GLY 84 HA2 0.0013 -0.0039 -0.0042 11307 GLY 84 HA3 0.0011 -0.0042 -0.0042 11308 ASN 85 N 0.0018 -0.0033 -0.0040 11309 ASN 85 CA 0.0020 -0.0026 -0.0041 11310 ASN 85 C 0.0017 -0.0024 -0.0036 11311 ASN 85 O 0.0018 -0.0018 -0.0036 11312 ASN 85 CB 0.0025 -0.0026 -0.0048 11313 ASN 85 CG 0.0024 -0.0033 -0.0049 11314 ASN 85 OD1 0.0024 -0.0032 -0.0048 11315 ASN 85 ND2 0.0025 -0.0040 -0.0052 11316 ASN 85 H 0.0019 -0.0038 -0.0043 11317 ASN 85 HA 0.0021 -0.0021 -0.0041 11318 ASN 85 HB2 0.0026 -0.0021 -0.0049 11319 ASN 85 HB3 0.0027 -0.0027 -0.0052 11320 ASN 85 HD21 0.0026 -0.0040 -0.0054 11321 ASN 85 HD22 0.0025 -0.0044 -0.0053 11322 LYS 86 N 0.0013 -0.0029 -0.0032 11323 LYS 86 CA 0.0010 -0.0027 -0.0026 11324 LYS 86 C 0.0005 -0.0032 -0.0021 11325 LYS 86 O 0.0004 -0.0036 -0.0021 11326 LYS 86 CB 0.0011 -0.0030 -0.0029 11327 LYS 86 CG 0.0012 -0.0038 -0.0033 11328 LYS 86 CD 0.0011 -0.0042 -0.0032 11329 LYS 86 CE 0.0011 -0.0051 -0.0035 11330 LYS 86 NZ 0.0008 -0.0056 -0.0032 11331 LYS 86 H 0.0012 -0.0033 -0.0032 11332 LYS 86 HA 0.0010 -0.0021 -0.0025 11333 LYS 86 HB2 0.0009 -0.0030 -0.0025 11334 LYS 86 HB3 0.0014 -0.0026 -0.0033 11335 LYS 86 HG2 0.0016 -0.0038 -0.0038 11336 LYS 86 HG3 0.0010 -0.0042 -0.0031 11337 LYS 86 HD2 0.0007 -0.0042 -0.0027 11338 LYS 86 HD3 0.0013 -0.0039 -0.0034 11339 LYS 86 HE2 0.0010 -0.0054 -0.0034 11340 LYS 86 HE3 0.0015 -0.0051 -0.0040 11341 LYS 86 HZ1 0.0009 -0.0054 -0.0033 11342 LYS 86 HZ2 0.0008 -0.0062 -0.0034 11343 LYS 86 HZ3 0.0005 -0.0056 -0.0027 11344 VAL 87 N 0.0002 -0.0031 -0.0016 11345 VAL 87 CA -0.0003 -0.0035 -0.0010 11346 VAL 87 C -0.0006 -0.0034 -0.0005 11347 VAL 87 O -0.0005 -0.0028 -0.0004 11348 VAL 87 CB -0.0005 -0.0031 -0.0006 11349 VAL 87 CG1 -0.0005 -0.0023 -0.0003 11350 VAL 87 CG2 -0.0010 -0.0036 -0.0000 11351 VAL 87 H 0.0003 -0.0027 -0.0016 11352 VAL 87 HA -0.0003 -0.0041 -0.0011 11353 VAL 87 HB -0.0002 -0.0031 -0.0009 11354 VAL 87 HG11 -0.0007 -0.0021 -0.0000 11355 VAL 87 HG12 -0.0007 -0.0022 -0.0000 11356 VAL 87 HG13 -0.0002 -0.0019 -0.0007 11357 VAL 87 HG21 -0.0012 -0.0038 0.0002 11358 VAL 87 HG22 -0.0011 -0.0033 0.0003 11359 VAL 87 HG23 -0.0009 -0.0042 -0.0003 11360 ALA 88 N -0.0010 -0.0040 -0.0001 11361 ALA 88 CA -0.0013 -0.0040 0.0003 11362 ALA 88 C -0.0017 -0.0038 0.0010 11363 ALA 88 O -0.0020 -0.0042 0.0014 11364 ALA 88 CB -0.0014 -0.0049 0.0003 11365 ALA 88 H -0.0010 -0.0045 -0.0002 11366 ALA 88 HA -0.0011 -0.0037 0.0002 11367 ALA 88 HB1 -0.0011 -0.0051 -0.0002 11368 ALA 88 HB2 -0.0017 -0.0049 0.0007 11369 ALA 88 HB3 -0.0016 -0.0053 0.0004 11370 ILE 89 N -0.0017 -0.0030 0.0012 11371 ILE 89 CA -0.0021 -0.0027 0.0019 11372 ILE 89 C -0.0024 -0.0028 0.0024 11373 ILE 89 O -0.0024 -0.0024 0.0023 11374 ILE 89 CB -0.0020 -0.0018 0.0019 11375 ILE 89 CG1 -0.0024 -0.0015 0.0027 11376 ILE 89 CG2 -0.0016 -0.0013 0.0016 11377 ILE 89 CD1 -0.0023 -0.0007 0.0027 11378 ILE 89 H -0.0014 -0.0027 0.0009 11379 ILE 89 HA -0.0023 -0.0030 0.0021 11380 ILE 89 HB -0.0018 -0.0018 0.0017 11381 ILE 89 HG12 -0.0025 -0.0014 0.0029 11382 ILE 89 HG13 -0.0026 -0.0019 0.0029 11383 ILE 89 HG21 -0.0013 -0.0015 0.0011 11384 ILE 89 HG22 -0.0016 -0.0007 0.0017 11385 ILE 89 HG23 -0.0018 -0.0014 0.0018 11386 ILE 89 HD11 -0.0026 -0.0004 0.0032 11387 ILE 89 HD12 -0.0020 -0.0003 0.0024 11388 ILE 89 HD13 -0.0022 -0.0008 0.0026 11389 SER 90 N -0.0029 -0.0033 0.0028 11390 SER 90 CA -0.0032 -0.0034 0.0033 11391 SER 90 C -0.0035 -0.0028 0.0039 11392 SER 90 O -0.0038 -0.0029 0.0043 11393 SER 90 CB -0.0035 -0.0043 0.0035 11394 SER 90 OG -0.0036 -0.0046 0.0036 11395 SER 90 H -0.0029 -0.0035 0.0029 11396 SER 90 HA -0.0030 -0.0033 0.0031 11397 SER 90 HB2 -0.0033 -0.0046 0.0031 11398 SER 90 HB3 -0.0038 -0.0043 0.0040 11399 SER 90 HG -0.0034 -0.0042 0.0034 11400 THR 91 N -0.0026 -0.0002 0.0054 11401 THR 91 CA -0.0028 -0.0013 0.0035 11402 THR 91 C -0.0012 -0.0008 0.0018 11403 THR 91 O -0.0001 0.0004 0.0021 11404 THR 91 CB -0.0042 -0.0029 0.0031 11405 THR 91 OG1 -0.0041 -0.0027 0.0033 11406 THR 91 CG2 -0.0058 -0.0037 0.0046 11407 THR 91 H -0.0026 -0.0001 0.0057 11408 THR 91 HA -0.0030 -0.0015 0.0037 11409 THR 91 HB -0.0042 -0.0037 0.0017 11410 THR 91 HG1 -0.0039 -0.0032 0.0021 11411 THR 91 HG21 -0.0059 -0.0029 0.0061 11412 THR 91 HG22 -0.0059 -0.0037 0.0046 11413 THR 91 HG23 -0.0068 -0.0048 0.0042 11414 THR 92 N -0.0011 -0.0016 0.0001 11415 THR 92 CA 0.0004 -0.0011 -0.0016 11416 THR 92 C 0.0001 -0.0022 -0.0032 11417 THR 92 O -0.0006 -0.0035 -0.0043 11418 THR 92 CB 0.0011 -0.0009 -0.0025 11419 THR 92 OG1 0.0026 -0.0004 -0.0042 11420 THR 92 CG2 -0.0001 -0.0024 -0.0032 11421 THR 92 H -0.0020 -0.0025 -0.0001 11422 THR 92 HA 0.0013 0.0001 -0.0010 11423 THR 92 HB 0.0014 -0.0000 -0.0014 11424 THR 92 HG1 0.0025 -0.0009 -0.0049 11425 THR 92 HG21 -0.0004 -0.0033 -0.0044 11426 THR 92 HG22 -0.0012 -0.0028 -0.0019 11427 THR 92 HG23 0.0004 -0.0022 -0.0037 11428 PRO 93 N 0.0008 -0.0016 -0.0033 11429 PRO 93 CA 0.0006 -0.0026 -0.0048 11430 PRO 93 C 0.0012 -0.0031 -0.0069 11431 PRO 93 O 0.0020 -0.0026 -0.0073 11432 PRO 93 CB 0.0017 -0.0014 -0.0045 11433 PRO 93 CG 0.0017 -0.0003 -0.0025 11434 PRO 93 CD 0.0015 -0.0002 -0.0019 11435 PRO 93 HA -0.0006 -0.0036 -0.0045 11436 PRO 93 HB2 0.0029 -0.0009 -0.0056 11437 PRO 93 HB3 0.0011 -0.0021 -0.0048 11438 PRO 93 HG2 0.0028 0.0008 -0.0024 11439 PRO 93 HG3 0.0007 -0.0008 -0.0015 11440 PRO 93 HD2 0.0027 0.0008 -0.0021 11441 PRO 93 HD3 0.0008 -0.0001 -0.0004 11442 LEU 94 N 0.0010 -0.0041 -0.0083 11443 LEU 94 CA 0.0015 -0.0047 -0.0104 11444 LEU 94 C 0.0034 -0.0034 -0.0112 11445 LEU 94 O 0.0042 -0.0021 -0.0104 11446 LEU 94 CB 0.0008 -0.0059 -0.0115 11447 LEU 94 CG -0.0004 -0.0064 -0.0103 11448 LEU 94 CD1 0.0005 -0.0053 -0.0098 11449 LEU 94 CD2 -0.0016 -0.0081 -0.0114 11450 LEU 94 H 0.0004 -0.0044 -0.0078 11451 LEU 94 HA 0.0010 -0.0052 -0.0105 11452 LEU 94 HB2 0.0019 -0.0055 -0.0125 11453 LEU 94 HB3 0.0003 -0.0069 -0.0125 11454 LEU 94 HG -0.0011 -0.0063 -0.0089 11455 LEU 94 HD11 0.0008 -0.0044 -0.0085 11456 LEU 94 HD12 -0.0003 -0.0060 -0.0097 11457 LEU 94 HD13 0.0016 -0.0050 -0.0111 11458 LEU 94 HD21 -0.0023 -0.0088 -0.0116 11459 LEU 94 HD22 -0.0009 -0.0082 -0.0128 11460 LEU 94 HD23 -0.0025 -0.0084 -0.0105 11461 GLU 95 N 0.0039 -0.0037 -0.0129 11462 GLU 95 CA 0.0057 -0.0026 -0.0139 11463 GLU 95 C 0.0061 -0.0034 -0.0161 11464 GLU 95 O 0.0049 -0.0049 -0.0168 11465 GLU 95 CB 0.0064 -0.0015 -0.0130 11466 GLU 95 CG 0.0059 -0.0022 -0.0135 11467 GLU 95 CD 0.0041 -0.0033 -0.0124 11468 GLU 95 OE1 0.0037 -0.0028 -0.0107 11469 GLU 95 OE2 0.0031 -0.0048 -0.0134 11470 GLU 95 H 0.0032 -0.0048 -0.0136 11471 GLU 95 HA 0.0063 -0.0019 -0.0137 11472 GLU 95 HB2 0.0077 -0.0005 -0.0135 11473 GLU 95 HB3 0.0059 -0.0011 -0.0114 11474 GLU 95 HG2 0.0061 -0.0029 -0.0151 11475 GLU 95 HG3 0.0066 -0.0013 -0.0131 11476 ASN 96 N 0.0076 -0.0025 -0.0172 11477 ASN 96 CA 0.0082 -0.0032 -0.0193 11478 ASN 96 C 0.0079 -0.0037 -0.0198 11479 ASN 96 O 0.0076 -0.0032 -0.0185 11480 ASN 96 CB 0.0100 -0.0020 -0.0203 11481 ASN 96 CG 0.0111 -0.0007 -0.0199 11482 ASN 96 OD1 0.0116 -0.0009 -0.0211 11483 ASN 96 ND2 0.0116 0.0005 -0.0183 11484 ASN 96 OXT 0.0078 -0.0046 -0.0215 11485 ASN 96 H 0.0085 -0.0014 -0.0165 11486 ASN 96 HA 0.0074 -0.0042 -0.0200 11487 ASN 96 HB2 0.0102 -0.0026 -0.0219 11488 ASN 96 HB3 0.0102 -0.0014 -0.0197 11489 ASN 96 HD21 0.0111 0.0006 -0.0175 11490 ASN 96 HD22 0.0123 0.0014 -0.0181 11491 SER 101 N 0.0025 -0.0062 0.0136 11492 SER 101 CA 0.0005 -0.0052 0.0131 11493 SER 101 C 0.0008 -0.0038 0.0112 11494 SER 101 O -0.0001 -0.0029 0.0104 11495 SER 101 CB -0.0004 -0.0056 0.0140 11496 SER 101 OG -0.0002 -0.0070 0.0157 11497 SER 101 H1 0.0031 -0.0060 0.0132 11498 SER 101 H2 0.0024 -0.0071 0.0149 11499 SER 101 H3 0.0036 -0.0061 0.0131 11500 SER 101 HA -0.0004 -0.0052 0.0135 11501 SER 101 HB2 0.0003 -0.0053 0.0134 11502 SER 101 HB3 -0.0020 -0.0050 0.0140 11503 SER 101 HG -0.0015 -0.0071 0.0164 11504 TRP 102 N 0.0020 -0.0036 0.0105 11505 TRP 102 CA 0.0024 -0.0023 0.0087 11506 TRP 102 C 0.0046 -0.0025 0.0080 11507 TRP 102 O 0.0058 -0.0037 0.0090 11508 TRP 102 CB 0.0012 -0.0016 0.0083 11509 TRP 102 CG 0.0021 -0.0022 0.0087 11510 TRP 102 CD1 0.0035 -0.0019 0.0077 11511 TRP 102 CD2 0.0015 -0.0033 0.0102 11512 TRP 102 NE1 0.0039 -0.0027 0.0085 11513 TRP 102 CE2 0.0027 -0.0035 0.0101 11514 TRP 102 CE3 0.0001 -0.0040 0.0117 11515 TRP 102 CZ2 0.0026 -0.0045 0.0113 11516 TRP 102 CZ3 0.0000 -0.0049 0.0130 11517 TRP 102 CH2 0.0012 -0.0051 0.0128 11518 TRP 102 H 0.0027 -0.0044 0.0112 11519 TRP 102 HA 0.0018 -0.0017 0.0081 11520 TRP 102 HB2 0.0012 -0.0006 0.0069 11521 TRP 102 HB3 -0.0004 -0.0017 0.0089 11522 TRP 102 HD1 0.0042 -0.0012 0.0064 11523 TRP 102 HE1 0.0049 -0.0027 0.0081 11524 TRP 102 HE3 -0.0008 -0.0038 0.0119 11525 TRP 102 HZ2 0.0035 -0.0046 0.0112 11526 TRP 102 HZ3 -0.0011 -0.0055 0.0142 11527 TRP 102 HH2 0.0011 -0.0059 0.0138 11528 GLU 103 N 0.0052 -0.0015 0.0064 11529 GLU 103 CA 0.0073 -0.0015 0.0056 11530 GLU 103 C 0.0081 -0.0019 0.0058 11531 GLU 103 O 0.0093 -0.0030 0.0068 11532 GLU 103 CB 0.0075 -0.0001 0.0037 11533 GLU 103 CG 0.0077 0.0001 0.0033 11534 GLU 103 CD 0.0060 -0.0002 0.0044 11535 GLU 103 OE1 0.0042 0.0003 0.0045 11536 GLU 103 OE2 0.0064 -0.0008 0.0050 11537 GLU 103 H 0.0042 -0.0006 0.0057 11538 GLU 103 HA 0.0082 -0.0022 0.0062 11539 GLU 103 HB2 0.0062 0.0006 0.0032 11540 GLU 103 HB3 0.0089 -0.0000 0.0030 11541 GLU 103 HG2 0.0077 0.0011 0.0020 11542 GLU 103 HG3 0.0091 -0.0006 0.0036 11543 SER 104 N 0.0074 -0.0010 0.0049 11544 SER 104 CA 0.0081 -0.0013 0.0050 11545 SER 104 C 0.0066 -0.0003 0.0043 11546 SER 104 O 0.0053 0.0006 0.0036 11547 SER 104 CB 0.0102 -0.0011 0.0039 11548 SER 104 OG 0.0106 -0.0002 0.0025 11549 SER 104 H 0.0065 -0.0001 0.0041 11550 SER 104 HA 0.0082 -0.0023 0.0063 11551 SER 104 HB2 0.0104 -0.0008 0.0034 11552 SER 104 HB3 0.0113 -0.0021 0.0047 11553 SER 104 HG 0.0116 -0.0006 0.0027 11554 HIS 105 N 0.0069 -0.0007 0.0046 11555 HIS 105 CA 0.0057 0.0001 0.0041 11556 HIS 105 C 0.0069 0.0009 0.0027 11557 HIS 105 O 0.0083 0.0002 0.0029 11558 HIS 105 CB 0.0049 -0.0008 0.0056 11559 HIS 105 CG 0.0039 -0.0002 0.0052 11560 HIS 105 ND1 0.0041 -0.0009 0.0061 11561 HIS 105 CD2 0.0028 0.0011 0.0040 11562 HIS 105 CE1 0.0031 -0.0001 0.0055 11563 HIS 105 NE2 0.0023 0.0012 0.0042 11564 HIS 105 H 0.0080 -0.0015 0.0052 11565 HIS 105 HA 0.0044 0.0009 0.0037 11566 HIS 105 HB2 0.0038 -0.0011 0.0065 11567 HIS 105 HB3 0.0062 -0.0017 0.0062 11568 HIS 105 HD2 0.0025 0.0019 0.0031 11569 HIS 105 HE1 0.0029 -0.0004 0.0059 11570 HIS 105 HE2 0.0019 0.0020 0.0033 11571 LYS 106 N 0.0065 0.0022 0.0012 11572 LYS 106 CA 0.0076 0.0030 -0.0003 11573 LYS 106 C 0.0060 0.0042 -0.0013 11574 LYS 106 O 0.0066 0.0052 -0.0028 11575 LYS 106 CB 0.0090 0.0034 -0.0014 11576 LYS 106 CG 0.0112 0.0028 -0.0016 11577 LYS 106 CD 0.0120 0.0013 0.0000 11578 LYS 106 CE 0.0142 0.0008 -0.0002 11579 LYS 106 NZ 0.0150 -0.0007 0.0014 11580 LYS 106 H 0.0054 0.0026 0.0010 11581 LYS 106 HA 0.0084 0.0024 0.0001 11582 LYS 106 HB2 0.0088 0.0030 -0.0009 11583 LYS 106 HB3 0.0086 0.0044 -0.0027 11584 LYS 106 HG2 0.0121 0.0033 -0.0026 11585 LYS 106 HG3 0.0114 0.0031 -0.0020 11586 LYS 106 HD2 0.0111 0.0009 0.0010 11587 LYS 106 HD3 0.0120 0.0011 0.0003 11588 LYS 106 HE2 0.0151 0.0012 -0.0012 11589 LYS 106 HE3 0.0142 0.0010 -0.0005 11590 LYS 106 HZ1 0.0140 -0.0012 0.0024 11591 LYS 106 HZ2 0.0164 -0.0011 0.0013 11592 LYS 106 HZ3 0.0151 -0.0009 0.0017 11593 SER 107 N 0.0008 0.0024 0.0029 11594 SER 107 CA 0.0006 0.0024 0.0026 11595 SER 107 C 0.0005 0.0024 0.0024 11596 SER 107 O 0.0004 0.0022 0.0025 11597 SER 107 CB 0.0002 0.0021 0.0026 11598 SER 107 OG 0.0003 0.0021 0.0027 11599 SER 107 H 0.0007 0.0023 0.0031 11600 SER 107 HA 0.0007 0.0025 0.0024 11601 SER 107 HB2 0.0001 0.0020 0.0028 11602 SER 107 HB3 0.0001 0.0021 0.0023 11603 SER 107 HG 0.0003 0.0022 0.0026 11604 GLY 108 N 0.0006 0.0026 0.0021 11605 GLY 108 CA 0.0006 0.0026 0.0019 11606 GLY 108 C 0.0009 0.0027 0.0021 11607 GLY 108 O 0.0010 0.0027 0.0024 11608 GLY 108 H 0.0008 0.0027 0.0020 11609 GLY 108 HA2 0.0007 0.0028 0.0017 11610 GLY 108 HA3 0.0004 0.0025 0.0019 11611 GLY 109 N 0.0009 0.0028 0.0020 11612 GLY 109 CA 0.0011 0.0029 0.0021 11613 GLY 109 C 0.0010 0.0027 0.0024 11614 GLY 109 O 0.0010 0.0026 0.0027 11615 GLY 109 H 0.0008 0.0028 0.0017 11616 GLY 109 HA2 0.0013 0.0030 0.0023 11617 GLY 109 HA3 0.0012 0.0030 0.0019 11618 GLU 110 N 0.0009 0.0027 0.0023 11619 GLU 110 CA 0.0008 0.0025 0.0025 11620 GLU 110 C 0.0006 0.0025 0.0022 11621 GLU 110 O 0.0006 0.0025 0.0023 11622 GLU 110 CB 0.0011 0.0026 0.0027 11623 GLU 110 CG 0.0013 0.0027 0.0030 11624 GLU 110 CD 0.0015 0.0027 0.0033 11625 GLU 110 OE1 0.0014 0.0026 0.0034 11626 GLU 110 OE2 0.0018 0.0029 0.0034 11627 GLU 110 H 0.0010 0.0028 0.0020 11628 GLU 110 HA 0.0007 0.0024 0.0027 11629 GLU 110 HB2 0.0012 0.0028 0.0026 11630 GLU 110 HB3 0.0010 0.0025 0.0029 11631 GLU 110 HG2 0.0012 0.0025 0.0032 11632 GLU 110 HG3 0.0014 0.0028 0.0029 11633 THR 111 N 0.0004 0.0024 0.0020 11634 THR 111 CA 0.0001 0.0024 0.0017 11635 THR 111 C -0.0001 0.0021 0.0019 11636 THR 111 O -0.0002 0.0020 0.0022 11637 THR 111 CB -0.0000 0.0024 0.0014 11638 THR 111 OG1 0.0002 0.0026 0.0013 11639 THR 111 CG2 -0.0002 0.0023 0.0011 11640 THR 111 H 0.0004 0.0024 0.0020 11641 THR 111 HA 0.0003 0.0025 0.0016 11642 THR 111 HB -0.0002 0.0022 0.0015 11643 THR 111 HG1 0.0004 0.0027 0.0014 11644 THR 111 HG21 -0.0001 0.0025 0.0010 11645 THR 111 HG22 -0.0004 0.0022 0.0012 11646 THR 111 HG23 -0.0004 0.0023 0.0009 11647 ARG 112 N -0.0002 0.0021 0.0018 11648 ARG 112 CA -0.0005 0.0019 0.0019 11649 ARG 112 C -0.0007 0.0018 0.0016 11650 ARG 112 O -0.0007 0.0020 0.0013 11651 ARG 112 CB -0.0003 0.0019 0.0022 11652 ARG 112 CG -0.0001 0.0021 0.0020 11653 ARG 112 CD 0.0002 0.0022 0.0023 11654 ARG 112 NE 0.0004 0.0023 0.0024 11655 ARG 112 CZ 0.0006 0.0024 0.0027 11656 ARG 112 NH1 0.0007 0.0023 0.0029 11657 ARG 112 NH2 0.0008 0.0025 0.0028 11658 ARG 112 H -0.0002 0.0022 0.0015 11659 ARG 112 HA -0.0006 0.0017 0.0021 11660 ARG 112 HB2 -0.0005 0.0017 0.0023 11661 ARG 112 HB3 -0.0001 0.0019 0.0024 11662 ARG 112 HG2 -0.0000 0.0023 0.0018 11663 ARG 112 HG3 -0.0002 0.0021 0.0019 11664 ARG 112 HD2 0.0003 0.0023 0.0021 11665 ARG 112 HD3 0.0001 0.0021 0.0025 11666 ARG 112 HE 0.0004 0.0024 0.0023 11667 ARG 112 HH11 0.0005 0.0022 0.0028 11668 ARG 112 HH12 0.0008 0.0023 0.0031 11669 ARG 112 HH21 0.0008 0.0025 0.0026 11670 ARG 112 HH22 0.0010 0.0025 0.0030 11671 LEU 113 N -0.0004 0.0011 0.0010 11672 LEU 113 CA -0.0002 0.0008 0.0005 11673 LEU 113 C 0.0002 0.0012 0.0003 11674 LEU 113 O 0.0003 0.0010 -0.0000 11675 LEU 113 CB -0.0006 0.0003 0.0006 11676 LEU 113 CG -0.0009 -0.0003 0.0007 11677 LEU 113 CD1 -0.0007 -0.0005 0.0002 11678 LEU 113 CD2 -0.0013 -0.0002 0.0012 11679 LEU 113 OXT 0.0004 0.0018 0.0004 11680 LEU 113 H -0.0006 0.0012 0.0014 11681 LEU 113 HA -0.0001 0.0006 0.0002 11682 LEU 113 HB2 -0.0007 0.0005 0.0010 11683 LEU 113 HB3 -0.0004 0.0001 0.0003 11684 LEU 113 HG -0.0011 -0.0006 0.0007 11685 LEU 113 HD11 -0.0005 -0.0006 -0.0002 11686 LEU 113 HD12 -0.0010 -0.0010 0.0002 11687 LEU 113 HD13 -0.0006 -0.0002 0.0002 11688 LEU 113 HD21 -0.0014 -0.0000 0.0016 11689 LEU 113 HD22 -0.0011 0.0002 0.0013 11690 LEU 113 HD23 -0.0015 -0.0006 0.0013 11691 GLY 1 N 0.0053 -0.0005 -0.0220 11692 GLY 1 CA 0.0042 -0.0008 -0.0188 11693 GLY 1 C 0.0057 -0.0000 -0.0181 11694 GLY 1 O 0.0067 0.0003 -0.0204 11695 GLY 1 H1 0.0042 -0.0010 -0.0224 11696 GLY 1 H2 0.0076 0.0006 -0.0220 11697 GLY 1 H3 0.0048 -0.0008 -0.0239 11698 GLY 1 HA2 0.0018 -0.0019 -0.0188 11699 GLY 1 HA3 0.0048 -0.0004 -0.0168 11700 GLY 2 N 0.0058 0.0002 -0.0150 11701 GLY 2 CA 0.0072 0.0009 -0.0141 11702 GLY 2 C 0.0086 0.0017 -0.0107 11703 GLY 2 O 0.0081 0.0016 -0.0089 11704 GLY 2 H 0.0049 -0.0001 -0.0132 11705 GLY 2 HA2 0.0089 0.0015 -0.0159 11706 GLY 2 HA3 0.0054 0.0001 -0.0141 11707 SER 3 N 0.0103 0.0025 -0.0099 11708 SER 3 CA 0.0118 0.0034 -0.0068 11709 SER 3 C 0.0114 0.0033 -0.0053 11710 SER 3 O 0.0109 0.0030 -0.0071 11711 SER 3 CB 0.0151 0.0049 -0.0072 11712 SER 3 OG 0.0156 0.0050 -0.0092 11713 SER 3 H 0.0106 0.0026 -0.0115 11714 SER 3 HA 0.0107 0.0030 -0.0051 11715 SER 3 HB2 0.0163 0.0054 -0.0084 11716 SER 3 HB3 0.0161 0.0055 -0.0048 11717 SER 3 HG 0.0148 0.0047 -0.0080 11718 MET 4 N 0.0117 0.0037 -0.0020 11719 MET 4 CA 0.0114 0.0037 -0.0002 11720 MET 4 C 0.0083 0.0022 -0.0006 11721 MET 4 O 0.0078 0.0019 -0.0025 11722 MET 4 CB 0.0138 0.0047 -0.0014 11723 MET 4 CG 0.0171 0.0062 -0.0006 11724 MET 4 SD 0.0199 0.0074 -0.0021 11725 MET 4 CE 0.0189 0.0071 0.0003 11726 MET 4 H 0.0121 0.0039 -0.0007 11727 MET 4 HA 0.0117 0.0040 0.0024 11728 MET 4 HB2 0.0137 0.0045 -0.0041 11729 MET 4 HB3 0.0134 0.0045 -0.0003 11730 MET 4 HG2 0.0172 0.0064 0.0020 11731 MET 4 HG3 0.0175 0.0063 -0.0017 11732 MET 4 HE1 0.0167 0.0060 -0.0004 11733 MET 4 HE2 0.0206 0.0078 -0.0002 11734 MET 4 HE3 0.0189 0.0072 0.0029 11735 ARG 5 N 0.0061 0.0013 0.0012 11736 ARG 5 CA 0.0030 -0.0001 0.0011 11737 ARG 5 C 0.0027 -0.0001 0.0029 11738 ARG 5 O 0.0039 0.0006 0.0056 11739 ARG 5 CB 0.0008 -0.0010 0.0026 11740 ARG 5 CG 0.0003 -0.0014 0.0004 11741 ARG 5 CD 0.0029 -0.0002 0.0006 11742 ARG 5 NE 0.0024 -0.0005 -0.0015 11743 ARG 5 CZ 0.0039 0.0002 -0.0012 11744 ARG 5 NH1 0.0060 0.0013 0.0012 11745 ARG 5 NH2 0.0034 -0.0002 -0.0032 11746 ARG 5 H 0.0066 0.0016 0.0027 11747 ARG 5 HA 0.0024 -0.0005 -0.0015 11748 ARG 5 HB2 0.0017 -0.0005 0.0049 11749 ARG 5 HB3 -0.0014 -0.0020 0.0031 11750 ARG 5 HG2 -0.0018 -0.0023 0.0012 11751 ARG 5 HG3 0.0001 -0.0016 -0.0022 11752 ARG 5 HD2 0.0050 0.0007 -0.0001 11753 ARG 5 HD3 0.0030 0.0000 0.0032 11754 ARG 5 HE 0.0010 -0.0013 -0.0033 11755 ARG 5 HH11 0.0064 0.0016 0.0027 11756 ARG 5 HH12 0.0070 0.0018 0.0014 11757 ARG 5 HH21 0.0019 -0.0010 -0.0050 11758 ARG 5 HH22 0.0045 0.0003 -0.0030 11759 PRO 6 N 0.0011 -0.0009 0.0015 11760 PRO 6 CA 0.0008 -0.0010 0.0029 11761 PRO 6 C -0.0021 -0.0022 0.0051 11762 PRO 6 O -0.0046 -0.0034 0.0039 11763 PRO 6 CB 0.0005 -0.0013 -0.0001 11764 PRO 6 CG 0.0004 -0.0015 -0.0031 11765 PRO 6 CD -0.0004 -0.0018 -0.0017 11766 PRO 6 HA 0.0027 -0.0000 0.0044 11767 PRO 6 HB2 -0.0015 -0.0022 0.0001 11768 PRO 6 HB3 0.0025 -0.0004 -0.0003 11769 PRO 6 HG2 -0.0013 -0.0024 -0.0047 11770 PRO 6 HG3 0.0026 -0.0006 -0.0044 11771 PRO 6 HD2 -0.0028 -0.0029 -0.0014 11772 PRO 6 HD3 0.0005 -0.0015 -0.0033 11773 PRO 7 N -0.0027 -0.0037 0.0021 11774 PRO 7 CA -0.0023 -0.0035 0.0018 11775 PRO 7 C -0.0018 -0.0030 0.0014 11776 PRO 7 O -0.0016 -0.0032 0.0011 11777 PRO 7 CB -0.0022 -0.0042 0.0014 11778 PRO 7 CG -0.0026 -0.0047 0.0016 11779 PRO 7 CD -0.0028 -0.0044 0.0019 11780 PRO 7 HA -0.0024 -0.0032 0.0020 11781 PRO 7 HB2 -0.0019 -0.0042 0.0009 11782 PRO 7 HB3 -0.0022 -0.0042 0.0014 11783 PRO 7 HG2 -0.0025 -0.0052 0.0013 11784 PRO 7 HG3 -0.0030 -0.0049 0.0019 11785 PRO 7 HD2 -0.0026 -0.0045 0.0016 11786 PRO 7 HD3 -0.0032 -0.0046 0.0023 11787 ILE 8 N -0.0016 -0.0024 0.0015 11788 ILE 8 CA -0.0011 -0.0019 0.0012 11789 ILE 8 C -0.0007 -0.0021 0.0006 11790 ILE 8 O -0.0007 -0.0020 0.0006 11791 ILE 8 CB -0.0011 -0.0012 0.0015 11792 ILE 8 CG1 -0.0016 -0.0011 0.0021 11793 ILE 8 CG2 -0.0008 -0.0006 0.0013 11794 ILE 8 CD1 -0.0018 -0.0007 0.0025 11795 ILE 8 H -0.0018 -0.0023 0.0018 11796 ILE 8 HA -0.0011 -0.0019 0.0011 11797 ILE 8 HB -0.0010 -0.0011 0.0015 11798 ILE 8 HG12 -0.0016 -0.0009 0.0022 11799 ILE 8 HG13 -0.0019 -0.0016 0.0022 11800 ILE 8 HG21 -0.0004 -0.0008 0.0009 11801 ILE 8 HG22 -0.0006 -0.0001 0.0014 11802 ILE 8 HG23 -0.0009 -0.0006 0.0015 11803 ILE 8 HD11 -0.0019 -0.0010 0.0025 11804 ILE 8 HD12 -0.0021 -0.0006 0.0030 11805 ILE 8 HD13 -0.0015 -0.0002 0.0024 11806 ILE 9 N -0.0004 -0.0023 0.0001 11807 ILE 9 CA -0.0001 -0.0025 -0.0004 11808 ILE 9 C 0.0004 -0.0018 -0.0007 11809 ILE 9 O 0.0007 -0.0016 -0.0009 11810 ILE 9 CB 0.0001 -0.0030 -0.0009 11811 ILE 9 CG1 -0.0003 -0.0035 -0.0006 11812 ILE 9 CG2 0.0004 -0.0034 -0.0014 11813 ILE 9 CD1 -0.0007 -0.0040 -0.0004 11814 ILE 9 H -0.0005 -0.0023 0.0002 11815 ILE 9 HA -0.0002 -0.0028 -0.0004 11816 ILE 9 HB 0.0004 -0.0026 -0.0011 11817 ILE 9 HG12 -0.0005 -0.0032 -0.0002 11818 ILE 9 HG13 -0.0002 -0.0037 -0.0009 11819 ILE 9 HG21 0.0007 -0.0030 -0.0016 11820 ILE 9 HG22 0.0005 -0.0037 -0.0017 11821 ILE 9 HG23 0.0001 -0.0037 -0.0012 11822 ILE 9 HD11 -0.0009 -0.0044 -0.0003 11823 ILE 9 HD12 -0.0009 -0.0038 -0.0001 11824 ILE 9 HD13 -0.0005 -0.0043 -0.0008 11825 ILE 10 N 0.0004 -0.0016 -0.0006 11826 ILE 10 CA 0.0008 -0.0010 -0.0008 11827 ILE 10 C 0.0012 -0.0013 -0.0014 11828 ILE 10 O 0.0012 -0.0019 -0.0016 11829 ILE 10 CB 0.0007 -0.0007 -0.0005 11830 ILE 10 CG1 0.0002 -0.0005 0.0001 11831 ILE 10 CG2 0.0011 -0.0001 -0.0007 11832 ILE 10 CD1 -0.0000 -0.0007 0.0004 11833 ILE 10 H 0.0001 -0.0019 -0.0004 11834 ILE 10 HA 0.0009 -0.0006 -0.0007 11835 ILE 10 HB 0.0007 -0.0011 -0.0007 11836 ILE 10 HG12 0.0003 0.0000 0.0003 11837 ILE 10 HG13 0.0000 -0.0008 0.0003 11838 ILE 10 HG21 0.0010 0.0002 -0.0004 11839 ILE 10 HG22 0.0013 0.0002 -0.0007 11840 ILE 10 HG23 0.0014 -0.0002 -0.0011 11841 ILE 10 HD11 -0.0002 -0.0013 0.0004 11842 ILE 10 HD12 -0.0003 -0.0005 0.0009 11843 ILE 10 HD13 0.0002 -0.0005 0.0002 11844 HIS 11 N 0.0017 -0.0008 -0.0017 11845 HIS 11 CA 0.0021 -0.0010 -0.0024 11846 HIS 11 C 0.0024 -0.0005 -0.0025 11847 HIS 11 O 0.0026 0.0001 -0.0024 11848 HIS 11 CB 0.0024 -0.0010 -0.0027 11849 HIS 11 CG 0.0028 -0.0012 -0.0033 11850 HIS 11 ND1 0.0033 -0.0007 -0.0037 11851 HIS 11 CD2 0.0029 -0.0018 -0.0037 11852 HIS 11 CE1 0.0036 -0.0011 -0.0042 11853 HIS 11 NE2 0.0034 -0.0018 -0.0042 11854 HIS 11 H 0.0017 -0.0003 -0.0016 11855 HIS 11 HA 0.0020 -0.0015 -0.0025 11856 HIS 11 HB2 0.0022 -0.0014 -0.0026 11857 HIS 11 HB3 0.0025 -0.0005 -0.0026 11858 HIS 11 HD2 0.0026 -0.0023 -0.0036 11859 HIS 11 HE1 0.0040 -0.0008 -0.0046 11860 HIS 11 HE2 0.0035 -0.0021 -0.0046 11861 ARG 12 N 0.0025 -0.0008 -0.0027 11862 ARG 12 CA 0.0028 -0.0003 -0.0028 11863 ARG 12 C 0.0033 -0.0000 -0.0033 11864 ARG 12 O 0.0036 -0.0004 -0.0038 11865 ARG 12 CB 0.0027 -0.0008 -0.0030 11866 ARG 12 CG 0.0029 -0.0003 -0.0030 11867 ARG 12 CD 0.0028 -0.0008 -0.0031 11868 ARG 12 NE 0.0030 -0.0004 -0.0032 11869 ARG 12 CZ 0.0032 -0.0007 -0.0035 11870 ARG 12 NH1 0.0032 -0.0014 -0.0039 11871 ARG 12 NH2 0.0034 -0.0004 -0.0036 11872 ARG 12 H 0.0023 -0.0013 -0.0027 11873 ARG 12 HA 0.0026 0.0001 -0.0025 11874 ARG 12 HB2 0.0024 -0.0011 -0.0027 11875 ARG 12 HB3 0.0030 -0.0011 -0.0034 11876 ARG 12 HG2 0.0033 -0.0001 -0.0034 11877 ARG 12 HG3 0.0027 0.0000 -0.0026 11878 ARG 12 HD2 0.0024 -0.0010 -0.0027 11879 ARG 12 HD3 0.0029 -0.0013 -0.0034 11880 ARG 12 HE 0.0030 0.0000 -0.0029 11881 ARG 12 HH11 0.0031 -0.0016 -0.0038 11882 ARG 12 HH12 0.0033 -0.0016 -0.0041 11883 ARG 12 HH21 0.0034 0.0001 -0.0033 11884 ARG 12 HH22 0.0035 -0.0006 -0.0039 11885 ALA 13 N 0.0038 0.0006 -0.0034 11886 ALA 13 CA 0.0044 0.0011 -0.0038 11887 ALA 13 C 0.0049 0.0012 -0.0043 11888 ALA 13 O 0.0053 0.0019 -0.0043 11889 ALA 13 CB 0.0045 0.0019 -0.0034 11890 ALA 13 H 0.0035 0.0009 -0.0029 11891 ALA 13 HA 0.0046 0.0007 -0.0042 11892 ALA 13 HB1 0.0045 0.0023 -0.0032 11893 ALA 13 HB2 0.0040 0.0018 -0.0030 11894 ALA 13 HB3 0.0049 0.0021 -0.0037 11895 GLY 14 N 0.0049 0.0006 -0.0046 11896 GLY 14 CA 0.0054 0.0006 -0.0050 11897 GLY 14 C 0.0052 0.0011 -0.0046 11898 GLY 14 O 0.0057 0.0015 -0.0049 11899 GLY 14 H 0.0046 0.0000 -0.0046 11900 GLY 14 HA2 0.0053 0.0000 -0.0053 11901 GLY 14 HA3 0.0059 0.0009 -0.0054 11902 LYS 15 N 0.0046 0.0011 -0.0040 11903 LYS 15 CA 0.0044 0.0016 -0.0035 11904 LYS 15 C 0.0037 0.0012 -0.0030 11905 LYS 15 O 0.0035 0.0007 -0.0031 11906 LYS 15 CB 0.0046 0.0025 -0.0032 11907 LYS 15 CG 0.0045 0.0027 -0.0031 11908 LYS 15 CD 0.0045 0.0036 -0.0026 11909 LYS 15 CE 0.0052 0.0042 -0.0029 11910 LYS 15 NZ 0.0052 0.0050 -0.0025 11911 LYS 15 H 0.0043 0.0009 -0.0038 11912 LYS 15 HA 0.0047 0.0016 -0.0038 11913 LYS 15 HB2 0.0043 0.0028 -0.0028 11914 LYS 15 HB3 0.0051 0.0029 -0.0036 11915 LYS 15 HG2 0.0049 0.0026 -0.0035 11916 LYS 15 HG3 0.0041 0.0023 -0.0028 11917 LYS 15 HD2 0.0043 0.0036 -0.0023 11918 LYS 15 HD3 0.0042 0.0037 -0.0022 11919 LYS 15 HE2 0.0054 0.0043 -0.0031 11920 LYS 15 HE3 0.0055 0.0040 -0.0033 11921 LYS 15 HZ1 0.0049 0.0053 -0.0021 11922 LYS 15 HZ2 0.0050 0.0050 -0.0023 11923 LYS 15 HZ3 0.0057 0.0055 -0.0028 11924 LYS 16 N 0.0033 0.0014 -0.0025 11925 LYS 16 CA 0.0026 0.0011 -0.0019 11926 LYS 16 C 0.0022 0.0011 -0.0015 11927 LYS 16 O 0.0025 0.0014 -0.0017 11928 LYS 16 CB 0.0024 0.0016 -0.0014 11929 LYS 16 CG 0.0027 0.0026 -0.0012 11930 LYS 16 CD 0.0026 0.0030 -0.0009 11931 LYS 16 CE 0.0026 0.0039 -0.0004 11932 LYS 16 NZ 0.0033 0.0044 -0.0008 11933 LYS 16 H 0.0035 0.0018 -0.0024 11934 LYS 16 HA 0.0025 0.0005 -0.0021 11935 LYS 16 HB2 0.0019 0.0014 -0.0010 11936 LYS 16 HB3 0.0026 0.0015 -0.0017 11937 LYS 16 HG2 0.0032 0.0027 -0.0016 11938 LYS 16 HG3 0.0024 0.0027 -0.0008 11939 LYS 16 HD2 0.0021 0.0027 -0.0006 11940 LYS 16 HD3 0.0030 0.0031 -0.0013 11941 LYS 16 HE2 0.0022 0.0039 -0.0001 11942 LYS 16 HE3 0.0025 0.0042 -0.0002 11943 LYS 16 HZ1 0.0032 0.0046 -0.0007 11944 LYS 16 HZ2 0.0036 0.0041 -0.0013 11945 LYS 16 HZ3 0.0035 0.0049 -0.0008 11946 TYR 17 N 0.0015 0.0008 -0.0010 11947 TYR 17 CA 0.0011 0.0008 -0.0005 11948 TYR 17 C 0.0010 0.0016 0.0000 11949 TYR 17 O 0.0006 0.0018 0.0005 11950 TYR 17 CB 0.0005 0.0001 -0.0003 11951 TYR 17 CG 0.0006 -0.0007 -0.0009 11952 TYR 17 CD1 0.0007 -0.0009 -0.0010 11953 TYR 17 CD2 0.0007 -0.0013 -0.0012 11954 TYR 17 CE1 0.0008 -0.0016 -0.0015 11955 TYR 17 CE2 0.0008 -0.0020 -0.0017 11956 TYR 17 CZ 0.0009 -0.0022 -0.0019 11957 TYR 17 OH 0.0010 -0.0029 -0.0024 11958 TYR 17 H 0.0013 0.0006 -0.0009 11959 TYR 17 HA 0.0014 0.0008 -0.0008 11960 TYR 17 HB2 0.0002 0.0002 0.0001 11961 TYR 17 HB3 0.0003 -0.0000 -0.0001 11962 TYR 17 HD1 0.0006 -0.0005 -0.0007 11963 TYR 17 HD2 0.0007 -0.0011 -0.0011 11964 TYR 17 HE1 0.0008 -0.0018 -0.0016 11965 TYR 17 HE2 0.0009 -0.0024 -0.0020 11966 TYR 17 HH 0.0012 -0.0030 -0.0027 11967 GLY 18 N 0.0013 0.0022 -0.0000 11968 GLY 18 CA 0.0013 0.0030 0.0005 11969 GLY 18 C 0.0006 0.0031 0.0012 11970 GLY 18 O 0.0006 0.0037 0.0016 11971 GLY 18 H 0.0016 0.0020 -0.0004 11972 GLY 18 HA2 0.0016 0.0033 0.0003 11973 GLY 18 HA3 0.0014 0.0033 0.0005 11974 PHE 19 N -0.0012 0.0011 0.0020 11975 PHE 19 CA -0.0014 0.0011 0.0026 11976 PHE 19 C -0.0013 0.0012 0.0025 11977 PHE 19 O -0.0013 0.0011 0.0021 11978 PHE 19 CB -0.0018 0.0006 0.0028 11979 PHE 19 CG -0.0021 0.0003 0.0025 11980 PHE 19 CD1 -0.0021 0.0001 0.0019 11981 PHE 19 CD2 -0.0023 0.0001 0.0028 11982 PHE 19 CE1 -0.0023 -0.0003 0.0017 11983 PHE 19 CE2 -0.0025 -0.0003 0.0025 11984 PHE 19 CZ -0.0025 -0.0005 0.0020 11985 PHE 19 H -0.0014 0.0009 0.0017 11986 PHE 19 HA -0.0013 0.0014 0.0029 11987 PHE 19 HB2 -0.0019 0.0007 0.0032 11988 PHE 19 HB3 -0.0019 0.0006 0.0027 11989 PHE 19 HD1 -0.0019 0.0002 0.0017 11990 PHE 19 HD2 -0.0023 0.0002 0.0032 11991 PHE 19 HE1 -0.0024 -0.0005 0.0012 11992 PHE 19 HE2 -0.0027 -0.0004 0.0028 11993 PHE 19 HZ -0.0027 -0.0008 0.0018 11994 THR 20 N -0.0013 0.0014 0.0030 11995 THR 20 CA -0.0012 0.0015 0.0031 11996 THR 20 C -0.0016 0.0011 0.0034 11997 THR 20 O -0.0017 0.0011 0.0039 11998 THR 20 CB -0.0009 0.0020 0.0035 11999 THR 20 OG1 -0.0006 0.0023 0.0033 12000 THR 20 CG2 -0.0008 0.0021 0.0036 12001 THR 20 H -0.0013 0.0015 0.0034 12002 THR 20 HA -0.0011 0.0016 0.0027 12003 THR 20 HB -0.0010 0.0020 0.0039 12004 THR 20 HG1 -0.0006 0.0022 0.0031 12005 THR 20 HG21 -0.0006 0.0022 0.0033 12006 THR 20 HG22 -0.0011 0.0018 0.0038 12007 THR 20 HG23 -0.0007 0.0024 0.0040 12008 LEU 21 N -0.0017 0.0009 0.0031 12009 LEU 21 CA -0.0020 0.0005 0.0033 12010 LEU 21 C -0.0019 0.0008 0.0036 12011 LEU 21 O -0.0018 0.0008 0.0034 12012 LEU 21 CB -0.0022 0.0002 0.0028 12013 LEU 21 CG -0.0026 -0.0003 0.0030 12014 LEU 21 CD1 -0.0028 -0.0003 0.0035 12015 LEU 21 CD2 -0.0028 -0.0007 0.0025 12016 LEU 21 H -0.0015 0.0010 0.0027 12017 LEU 21 HA -0.0022 0.0004 0.0036 12018 LEU 21 HB2 -0.0022 0.0001 0.0024 12019 LEU 21 HB3 -0.0021 0.0003 0.0026 12020 LEU 21 HG -0.0027 -0.0004 0.0030 12021 LEU 21 HD11 -0.0027 -0.0003 0.0035 12022 LEU 21 HD12 -0.0027 -0.0001 0.0039 12023 LEU 21 HD13 -0.0031 -0.0007 0.0037 12024 LEU 21 HD21 -0.0027 -0.0006 0.0021 12025 LEU 21 HD22 -0.0028 -0.0006 0.0025 12026 LEU 21 HD23 -0.0031 -0.0010 0.0026 12027 ARG 22 N -0.0019 0.0009 0.0042 12028 ARG 22 CA -0.0018 0.0011 0.0045 12029 ARG 22 C -0.0021 0.0008 0.0046 12030 ARG 22 O -0.0025 0.0004 0.0047 12031 ARG 22 CB -0.0018 0.0013 0.0051 12032 ARG 22 CG -0.0015 0.0018 0.0054 12033 ARG 22 CD -0.0011 0.0022 0.0051 12034 ARG 22 NE -0.0008 0.0026 0.0055 12035 ARG 22 CZ -0.0005 0.0030 0.0054 12036 ARG 22 NH1 -0.0003 0.0031 0.0049 12037 ARG 22 NH2 -0.0003 0.0034 0.0058 12038 ARG 22 H -0.0020 0.0009 0.0043 12039 ARG 22 HA -0.0016 0.0014 0.0043 12040 ARG 22 HB2 -0.0017 0.0014 0.0051 12041 ARG 22 HB3 -0.0021 0.0011 0.0054 12042 ARG 22 HG2 -0.0016 0.0018 0.0059 12043 ARG 22 HG3 -0.0016 0.0017 0.0053 12044 ARG 22 HD2 -0.0010 0.0022 0.0047 12045 ARG 22 HD3 -0.0011 0.0022 0.0051 12046 ARG 22 HE -0.0010 0.0026 0.0059 12047 ARG 22 HH11 -0.0005 0.0028 0.0046 12048 ARG 22 HH12 -0.0000 0.0034 0.0048 12049 ARG 22 HH21 -0.0004 0.0034 0.0062 12050 ARG 22 HH22 0.0000 0.0037 0.0057 12051 ALA 23 N -0.0020 0.0009 0.0047 12052 ALA 23 CA -0.0023 0.0006 0.0048 12053 ALA 23 C -0.0024 0.0007 0.0054 12054 ALA 23 O -0.0021 0.0011 0.0057 12055 ALA 23 CB -0.0022 0.0006 0.0043 12056 ALA 23 H -0.0018 0.0012 0.0046 12057 ALA 23 HA -0.0026 0.0002 0.0047 12058 ALA 23 HB1 -0.0023 0.0005 0.0045 12059 ALA 23 HB2 -0.0019 0.0010 0.0043 12060 ALA 23 HB3 -0.0022 0.0005 0.0039 12061 ILE 24 N -0.0027 0.0003 0.0056 12062 ILE 24 CA -0.0028 0.0004 0.0062 12063 ILE 24 C -0.0031 0.0000 0.0062 12064 ILE 24 O -0.0033 -0.0003 0.0058 12065 ILE 24 CB -0.0030 0.0003 0.0066 12066 ILE 24 CG1 -0.0033 -0.0001 0.0064 12067 ILE 24 CG2 -0.0027 0.0007 0.0068 12068 ILE 24 CD1 -0.0036 -0.0004 0.0069 12069 ILE 24 H -0.0029 0.0000 0.0054 12070 ILE 24 HA -0.0026 0.0007 0.0063 12071 ILE 24 HB -0.0032 0.0002 0.0070 12072 ILE 24 HG12 -0.0031 -0.0000 0.0061 12073 ILE 24 HG13 -0.0034 -0.0004 0.0061 12074 ILE 24 HG21 -0.0025 0.0008 0.0065 12075 ILE 24 HG22 -0.0025 0.0010 0.0070 12076 ILE 24 HG23 -0.0028 0.0006 0.0071 12077 ILE 24 HD11 -0.0037 -0.0006 0.0066 12078 ILE 24 HD12 -0.0034 -0.0001 0.0071 12079 ILE 24 HD13 -0.0038 -0.0005 0.0071 12080 ARG 25 N -0.0003 -0.0023 0.0055 12081 ARG 25 CA -0.0004 -0.0004 0.0029 12082 ARG 25 C 0.0001 -0.0007 0.0026 12083 ARG 25 O 0.0023 -0.0017 0.0013 12084 ARG 25 CB 0.0016 -0.0004 0.0004 12085 ARG 25 CG 0.0009 0.0002 0.0002 12086 ARG 25 CD 0.0031 -0.0002 -0.0020 12087 ARG 25 NE 0.0026 0.0020 -0.0045 12088 ARG 25 CZ 0.0036 0.0022 -0.0062 12089 ARG 25 NH1 0.0052 0.0005 -0.0056 12090 ARG 25 NH2 0.0030 0.0042 -0.0084 12091 ARG 25 H 0.0009 -0.0038 0.0062 12092 ARG 25 HA -0.0023 0.0012 0.0029 12093 ARG 25 HB2 0.0034 -0.0022 0.0006 12094 ARG 25 HB3 0.0017 0.0007 -0.0015 12095 ARG 25 HG2 -0.0007 0.0021 -0.0004 12096 ARG 25 HG3 0.0006 -0.0008 0.0022 12097 ARG 25 HD2 0.0035 -0.0011 -0.0011 12098 ARG 25 HD3 0.0048 -0.0012 -0.0026 12099 ARG 25 HE 0.0014 0.0033 -0.0050 12100 ARG 25 HH11 0.0056 -0.0011 -0.0039 12101 ARG 25 HH12 0.0059 0.0007 -0.0068 12102 ARG 25 HH21 0.0018 0.0056 -0.0088 12103 ARG 25 HH22 0.0037 0.0044 -0.0097 12104 VAL 26 N -0.0019 0.0003 0.0037 12105 VAL 26 CA -0.0016 0.0002 0.0036 12106 VAL 26 C -0.0012 0.0018 0.0007 12107 VAL 26 O -0.0030 0.0039 -0.0001 12108 VAL 26 CB -0.0039 0.0006 0.0058 12109 VAL 26 CG1 -0.0037 -0.0014 0.0087 12110 VAL 26 CG2 -0.0064 0.0028 0.0059 12111 VAL 26 H -0.0035 0.0012 0.0046 12112 VAL 26 HA 0.0001 -0.0016 0.0040 12113 VAL 26 HB -0.0039 0.0010 0.0053 12114 VAL 26 HG11 -0.0054 -0.0010 0.0102 12115 VAL 26 HG12 -0.0034 -0.0020 0.0091 12116 VAL 26 HG13 -0.0021 -0.0028 0.0087 12117 VAL 26 HG21 -0.0064 0.0042 0.0038 12118 VAL 26 HG22 -0.0066 0.0024 0.0067 12119 VAL 26 HG23 -0.0079 0.0032 0.0073 12120 TYR 27 N 0.0011 0.0008 -0.0009 12121 TYR 27 CA 0.0018 0.0021 -0.0036 12122 TYR 27 C 0.0012 0.0025 -0.0035 12123 TYR 27 O 0.0018 0.0009 -0.0019 12124 TYR 27 CB 0.0046 0.0008 -0.0054 12125 TYR 27 CG 0.0052 0.0012 -0.0067 12126 TYR 27 CD1 0.0051 0.0002 -0.0051 12127 TYR 27 CD2 0.0058 0.0026 -0.0096 12128 TYR 27 CE1 0.0056 0.0006 -0.0063 12129 TYR 27 CE2 0.0063 0.0029 -0.0108 12130 TYR 27 CZ 0.0063 0.0019 -0.0092 12131 TYR 27 OH 0.0068 0.0023 -0.0104 12132 TYR 27 H 0.0024 -0.0009 -0.0001 12133 TYR 27 HA 0.0006 0.0038 -0.0046 12134 TYR 27 HB2 0.0057 -0.0010 -0.0040 12135 TYR 27 HB3 0.0052 0.0014 -0.0070 12136 TYR 27 HD1 0.0046 -0.0008 -0.0029 12137 TYR 27 HD2 0.0059 0.0034 -0.0108 12138 TYR 27 HE1 0.0056 -0.0002 -0.0051 12139 TYR 27 HE2 0.0068 0.0040 -0.0130 12140 TYR 27 HH 0.0063 0.0038 -0.0120 12141 MET 28 N -0.0000 0.0046 -0.0051 12142 MET 28 CA -0.0006 0.0051 -0.0051 12143 MET 28 C 0.0016 0.0048 -0.0073 12144 MET 28 O 0.0015 0.0064 -0.0097 12145 MET 28 CB -0.0031 0.0076 -0.0056 12146 MET 28 CG -0.0054 0.0080 -0.0032 12147 MET 28 SD -0.0058 0.0062 -0.0001 12148 MET 28 CE -0.0086 0.0070 0.0024 12149 MET 28 H -0.0005 0.0058 -0.0063 12150 MET 28 HA -0.0008 0.0040 -0.0031 12151 MET 28 HB2 -0.0031 0.0088 -0.0073 12152 MET 28 HB3 -0.0033 0.0081 -0.0061 12153 MET 28 HG2 -0.0053 0.0076 -0.0027 12154 MET 28 HG3 -0.0071 0.0098 -0.0037 12155 MET 28 HE1 -0.0100 0.0089 0.0015 12156 MET 28 HE2 -0.0082 0.0063 0.0030 12157 MET 28 HE3 -0.0093 0.0064 0.0042 12158 GLY 29 N 0.0035 0.0026 -0.0066 12159 GLY 29 CA 0.0057 0.0020 -0.0086 12160 GLY 29 C 0.0075 0.0017 -0.0105 12161 GLY 29 O 0.0073 0.0015 -0.0099 12162 GLY 29 H 0.0034 0.0014 -0.0047 12163 GLY 29 HA2 0.0067 0.0004 -0.0074 12164 GLY 29 HA3 0.0051 0.0033 -0.0098 12165 ASP 30 N 0.0092 0.0019 -0.0128 12166 ASP 30 CA 0.0110 0.0016 -0.0148 12167 ASP 30 C 0.0099 0.0040 -0.0170 12168 ASP 30 O 0.0104 0.0051 -0.0192 12169 ASP 30 CB 0.0136 0.0004 -0.0163 12170 ASP 30 CG 0.0156 -0.0001 -0.0182 12171 ASP 30 OD1 0.0163 -0.0014 -0.0171 12172 ASP 30 OD2 0.0164 0.0009 -0.0207 12173 ASP 30 H 0.0092 0.0021 -0.0132 12174 ASP 30 HA 0.0113 0.0007 -0.0137 12175 ASP 30 HB2 0.0142 -0.0013 -0.0147 12176 ASP 30 HB3 0.0133 0.0014 -0.0175 12177 SER 31 N 0.0081 0.0011 -0.0193 12178 SER 31 CA 0.0068 0.0033 -0.0214 12179 SER 31 C 0.0060 0.0034 -0.0202 12180 SER 31 O 0.0065 0.0017 -0.0178 12181 SER 31 CB 0.0044 0.0055 -0.0215 12182 SER 31 OG 0.0034 0.0051 -0.0187 12183 SER 31 H 0.0080 0.0001 -0.0173 12184 SER 31 HA 0.0081 0.0032 -0.0238 12185 SER 31 HB2 0.0028 0.0070 -0.0216 12186 SER 31 HB3 0.0048 0.0061 -0.0236 12187 SER 31 HG 0.0044 0.0034 -0.0172 12188 ASP 32 N 0.0049 0.0053 -0.0219 12189 ASP 32 CA 0.0040 0.0056 -0.0210 12190 ASP 32 C 0.0015 0.0067 -0.0183 12191 ASP 32 O 0.0006 0.0069 -0.0171 12192 ASP 32 CB 0.0038 0.0073 -0.0239 12193 ASP 32 CG 0.0012 0.0100 -0.0246 12194 ASP 32 OD1 0.0009 0.0110 -0.0261 12195 ASP 32 OD2 -0.0005 0.0111 -0.0235 12196 ASP 32 H 0.0045 0.0065 -0.0238 12197 ASP 32 HA 0.0055 0.0038 -0.0202 12198 ASP 32 HB2 0.0041 0.0068 -0.0236 12199 ASP 32 HB3 0.0053 0.0069 -0.0260 12200 VAL 33 N 0.0002 0.0074 -0.0174 12201 VAL 33 CA -0.0022 0.0084 -0.0149 12202 VAL 33 C -0.0018 0.0064 -0.0117 12203 VAL 33 O -0.0005 0.0047 -0.0108 12204 VAL 33 CB -0.0038 0.0100 -0.0151 12205 VAL 33 CG1 -0.0021 0.0087 -0.0158 12206 VAL 33 CG2 -0.0060 0.0105 -0.0120 12207 VAL 33 H 0.0010 0.0072 -0.0185 12208 VAL 33 HA -0.0034 0.0096 -0.0152 12209 VAL 33 HB -0.0047 0.0117 -0.0170 12210 VAL 33 HG11 -0.0033 0.0098 -0.0157 12211 VAL 33 HG12 -0.0010 0.0069 -0.0141 12212 VAL 33 HG13 -0.0007 0.0086 -0.0182 12213 VAL 33 HG21 -0.0072 0.0113 -0.0115 12214 VAL 33 HG22 -0.0052 0.0088 -0.0101 12215 VAL 33 HG23 -0.0072 0.0117 -0.0123 12216 TYR 34 N -0.0029 0.0066 -0.0099 12217 TYR 34 CA -0.0027 0.0048 -0.0067 12218 TYR 34 C -0.0049 0.0059 -0.0049 12219 TYR 34 O -0.0058 0.0074 -0.0062 12220 TYR 34 CB -0.0000 0.0024 -0.0069 12221 TYR 34 CG 0.0003 0.0026 -0.0079 12222 TYR 34 CD1 0.0010 0.0036 -0.0111 12223 TYR 34 CD2 0.0001 0.0017 -0.0057 12224 TYR 34 CE1 0.0014 0.0037 -0.0121 12225 TYR 34 CE2 0.0004 0.0018 -0.0066 12226 TYR 34 CZ 0.0011 0.0028 -0.0098 12227 TYR 34 OH 0.0015 0.0029 -0.0108 12228 TYR 34 H -0.0039 0.0079 -0.0108 12229 TYR 34 HA -0.0029 0.0044 -0.0055 12230 TYR 34 HB2 0.0002 0.0010 -0.0046 12231 TYR 34 HB3 0.0015 0.0018 -0.0086 12232 TYR 34 HD1 0.0012 0.0042 -0.0129 12233 TYR 34 HD2 -0.0004 0.0010 -0.0032 12234 TYR 34 HE1 0.0019 0.0045 -0.0146 12235 TYR 34 HE2 0.0002 0.0012 -0.0049 12236 TYR 34 HH 0.0004 0.0046 -0.0121 12237 THR 35 N -0.0057 0.0051 -0.0018 12238 THR 35 CA -0.0078 0.0060 0.0003 12239 THR 35 C -0.0067 0.0041 0.0022 12240 THR 35 O -0.0052 0.0020 0.0037 12241 THR 35 CB -0.0100 0.0069 0.0025 12242 THR 35 OG1 -0.0095 0.0069 0.0017 12243 THR 35 CG2 -0.0126 0.0095 0.0023 12244 THR 35 H -0.0050 0.0039 -0.0008 12245 THR 35 HA -0.0086 0.0076 -0.0013 12246 THR 35 HB -0.0099 0.0057 0.0049 12247 THR 35 HG1 -0.0089 0.0075 -0.0006 12248 THR 35 HG21 -0.0130 0.0095 0.0029 12249 THR 35 HG22 -0.0141 0.0101 0.0039 12250 THR 35 HG23 -0.0127 0.0108 -0.0001 12251 VAL 36 N -0.0073 0.0047 0.0022 12252 VAL 36 CA -0.0064 0.0030 0.0040 12253 VAL 36 C -0.0082 0.0030 0.0074 12254 VAL 36 O -0.0103 0.0045 0.0080 12255 VAL 36 CB -0.0062 0.0035 0.0024 12256 VAL 36 CG1 -0.0045 0.0013 0.0037 12257 VAL 36 CG2 -0.0051 0.0043 -0.0012 12258 VAL 36 H -0.0085 0.0064 0.0009 12259 VAL 36 HA -0.0045 0.0011 0.0040 12260 VAL 36 HB -0.0081 0.0050 0.0030 12261 VAL 36 HG11 -0.0043 0.0017 0.0026 12262 VAL 36 HG12 -0.0025 -0.0003 0.0032 12263 VAL 36 HG13 -0.0053 0.0008 0.0063 12264 VAL 36 HG21 -0.0066 0.0061 -0.0021 12265 VAL 36 HG22 -0.0034 0.0030 -0.0018 12266 VAL 36 HG23 -0.0045 0.0042 -0.0022 12267 HIS 37 N -0.0052 -0.0004 0.0053 12268 HIS 37 CA -0.0052 -0.0005 0.0052 12269 HIS 37 C -0.0048 -0.0001 0.0050 12270 HIS 37 O -0.0046 0.0003 0.0049 12271 HIS 37 CB -0.0054 -0.0006 0.0058 12272 HIS 37 CG -0.0058 -0.0011 0.0060 12273 HIS 37 ND1 -0.0060 -0.0015 0.0056 12274 HIS 37 CD2 -0.0059 -0.0012 0.0065 12275 HIS 37 CE1 -0.0063 -0.0018 0.0059 12276 HIS 37 NE2 -0.0063 -0.0016 0.0065 12277 HIS 37 H -0.0051 -0.0002 0.0056 12278 HIS 37 HA -0.0054 -0.0008 0.0049 12279 HIS 37 HB2 -0.0052 -0.0003 0.0061 12280 HIS 37 HB3 -0.0054 -0.0006 0.0057 12281 HIS 37 HD2 -0.0058 -0.0009 0.0069 12282 HIS 37 HE1 -0.0066 -0.0022 0.0058 12283 HIS 37 HE2 -0.0065 -0.0018 0.0068 12284 HIS 38 N -0.0048 -0.0001 0.0049 12285 HIS 38 CA -0.0045 0.0003 0.0047 12286 HIS 38 C -0.0045 0.0003 0.0049 12287 HIS 38 O -0.0048 -0.0000 0.0051 12288 HIS 38 CB -0.0045 0.0003 0.0040 12289 HIS 38 CG -0.0044 0.0003 0.0037 12290 HIS 38 ND1 -0.0041 0.0007 0.0037 12291 HIS 38 CD2 -0.0046 -0.0001 0.0034 12292 HIS 38 CE1 -0.0041 0.0006 0.0034 12293 HIS 38 NE2 -0.0045 0.0001 0.0033 12294 HIS 38 H -0.0051 -0.0004 0.0050 12295 HIS 38 HA -0.0043 0.0006 0.0048 12296 HIS 38 HB2 -0.0047 -0.0001 0.0039 12297 HIS 38 HB3 -0.0042 0.0005 0.0039 12298 HIS 38 HD2 -0.0049 -0.0004 0.0033 12299 HIS 38 HE1 -0.0039 0.0008 0.0033 12300 HIS 38 HE2 -0.0046 -0.0000 0.0032 12301 MET 39 N -0.0042 0.0007 0.0049 12302 MET 39 CA -0.0042 0.0008 0.0051 12303 MET 39 C -0.0039 0.0011 0.0048 12304 MET 39 O -0.0036 0.0015 0.0046 12305 MET 39 CB -0.0042 0.0010 0.0058 12306 MET 39 CG -0.0045 0.0006 0.0062 12307 MET 39 SD -0.0046 0.0005 0.0067 12308 MET 39 CE -0.0042 0.0011 0.0070 12309 MET 39 H -0.0040 0.0010 0.0047 12310 MET 39 HA -0.0045 0.0004 0.0051 12311 MET 39 HB2 -0.0040 0.0012 0.0058 12312 MET 39 HB3 -0.0041 0.0011 0.0059 12313 MET 39 HG2 -0.0047 0.0003 0.0060 12314 MET 39 HG3 -0.0045 0.0007 0.0065 12315 MET 39 HE1 -0.0042 0.0012 0.0072 12316 MET 39 HE2 -0.0043 0.0011 0.0073 12317 MET 39 HE3 -0.0040 0.0013 0.0067 12318 VAL 40 N -0.0040 0.0010 0.0047 12319 VAL 40 CA -0.0037 0.0013 0.0044 12320 VAL 40 C -0.0034 0.0017 0.0048 12321 VAL 40 O -0.0035 0.0017 0.0052 12322 VAL 40 CB -0.0039 0.0010 0.0041 12323 VAL 40 CG1 -0.0042 0.0007 0.0046 12324 VAL 40 CG2 -0.0036 0.0014 0.0039 12325 VAL 40 H -0.0042 0.0007 0.0048 12326 VAL 40 HA -0.0036 0.0014 0.0040 12327 VAL 40 HB -0.0040 0.0008 0.0038 12328 VAL 40 HG11 -0.0041 0.0009 0.0048 12329 VAL 40 HG12 -0.0043 0.0007 0.0049 12330 VAL 40 HG13 -0.0044 0.0004 0.0044 12331 VAL 40 HG21 -0.0034 0.0016 0.0037 12332 VAL 40 HG22 -0.0035 0.0016 0.0043 12333 VAL 40 HG23 -0.0037 0.0012 0.0036 12334 TRP 41 N -0.0031 0.0021 0.0047 12335 TRP 41 CA -0.0028 0.0026 0.0050 12336 TRP 41 C -0.0027 0.0028 0.0049 12337 TRP 41 O -0.0026 0.0029 0.0053 12338 TRP 41 CB -0.0025 0.0029 0.0048 12339 TRP 41 CG -0.0023 0.0033 0.0053 12340 TRP 41 CD1 -0.0020 0.0037 0.0053 12341 TRP 41 CD2 -0.0025 0.0032 0.0058 12342 TRP 41 NE1 -0.0019 0.0039 0.0058 12343 TRP 41 CE2 -0.0022 0.0036 0.0061 12344 TRP 41 CE3 -0.0028 0.0028 0.0061 12345 TRP 41 CZ2 -0.0022 0.0037 0.0067 12346 TRP 41 CZ3 -0.0029 0.0028 0.0067 12347 TRP 41 CH2 -0.0026 0.0032 0.0070 12348 TRP 41 H -0.0031 0.0021 0.0043 12349 TRP 41 HA -0.0029 0.0025 0.0054 12350 TRP 41 HB2 -0.0027 0.0027 0.0046 12351 TRP 41 HB3 -0.0024 0.0031 0.0044 12352 TRP 41 HD1 -0.0018 0.0039 0.0049 12353 TRP 41 HE1 -0.0016 0.0043 0.0059 12354 TRP 41 HE3 -0.0031 0.0024 0.0059 12355 TRP 41 HZ2 -0.0020 0.0040 0.0069 12356 TRP 41 HZ3 -0.0032 0.0025 0.0069 12357 TRP 41 HH2 -0.0026 0.0033 0.0074 12358 HIS 42 N -0.0026 0.0027 0.0044 12359 HIS 42 CA -0.0024 0.0029 0.0042 12360 HIS 42 C -0.0025 0.0027 0.0037 12361 HIS 42 O -0.0025 0.0026 0.0032 12362 HIS 42 CB -0.0020 0.0035 0.0041 12363 HIS 42 CG -0.0018 0.0038 0.0043 12364 HIS 42 ND1 -0.0017 0.0041 0.0048 12365 HIS 42 CD2 -0.0017 0.0038 0.0040 12366 HIS 42 CE1 -0.0015 0.0043 0.0048 12367 HIS 42 NE2 -0.0015 0.0041 0.0043 12368 HIS 42 H -0.0027 0.0026 0.0041 12369 HIS 42 HA -0.0025 0.0029 0.0046 12370 HIS 42 HB2 -0.0020 0.0036 0.0044 12371 HIS 42 HB3 -0.0019 0.0035 0.0037 12372 HIS 42 HD2 -0.0018 0.0036 0.0036 12373 HIS 42 HE1 -0.0013 0.0045 0.0051 12374 HIS 42 HE2 -0.0015 0.0042 0.0042 12375 VAL 43 N -0.0018 0.0040 0.0030 12376 VAL 43 CA -0.0012 0.0036 0.0024 12377 VAL 43 C -0.0005 0.0043 0.0021 12378 VAL 43 O -0.0005 0.0050 0.0024 12379 VAL 43 CB -0.0015 0.0030 0.0025 12380 VAL 43 CG1 -0.0019 0.0037 0.0030 12381 VAL 43 CG2 -0.0009 0.0027 0.0019 12382 VAL 43 H -0.0020 0.0046 0.0033 12383 VAL 43 HA -0.0011 0.0031 0.0022 12384 VAL 43 HB -0.0020 0.0025 0.0026 12385 VAL 43 HG11 -0.0025 0.0038 0.0034 12386 VAL 43 HG12 -0.0021 0.0033 0.0030 12387 VAL 43 HG13 -0.0015 0.0043 0.0029 12388 VAL 43 HG21 -0.0007 0.0021 0.0016 12389 VAL 43 HG22 -0.0004 0.0033 0.0017 12390 VAL 43 HG23 -0.0011 0.0024 0.0020 12391 GLU 44 N 0.0002 0.0040 0.0016 12392 GLU 44 CA 0.0009 0.0046 0.0012 12393 GLU 44 C 0.0012 0.0048 0.0011 12394 GLU 44 O 0.0013 0.0041 0.0008 12395 GLU 44 CB 0.0016 0.0042 0.0006 12396 GLU 44 CG 0.0014 0.0042 0.0007 12397 GLU 44 CD 0.0022 0.0043 0.0002 12398 GLU 44 OE1 0.0026 0.0036 -0.0003 12399 GLU 44 OE2 0.0023 0.0050 0.0003 12400 GLU 44 H 0.0002 0.0034 0.0014 12401 GLU 44 HA 0.0009 0.0053 0.0014 12402 GLU 44 HB2 0.0016 0.0035 0.0004 12403 GLU 44 HB3 0.0021 0.0046 0.0003 12404 GLU 44 HG2 0.0011 0.0048 0.0011 12405 GLU 44 HG3 0.0010 0.0036 0.0008 12406 ASP 45 N 0.0013 0.0056 0.0013 12407 ASP 45 CA 0.0015 0.0059 0.0012 12408 ASP 45 C 0.0024 0.0061 0.0006 12409 ASP 45 O 0.0027 0.0065 0.0005 12410 ASP 45 CB 0.0012 0.0068 0.0017 12411 ASP 45 CG 0.0014 0.0076 0.0017 12412 ASP 45 OD1 0.0012 0.0075 0.0019 12413 ASP 45 OD2 0.0019 0.0083 0.0017 12414 ASP 45 H 0.0012 0.0061 0.0015 12415 ASP 45 HA 0.0013 0.0053 0.0012 12416 ASP 45 HB2 0.0014 0.0070 0.0016 12417 ASP 45 HB3 0.0005 0.0066 0.0021 12418 GLY 46 N 0.0028 0.0057 0.0002 12419 GLY 46 CA 0.0037 0.0058 -0.0004 12420 GLY 46 C 0.0040 0.0050 -0.0009 12421 GLY 46 O 0.0047 0.0050 -0.0014 12422 GLY 46 H 0.0025 0.0054 0.0003 12423 GLY 46 HA2 0.0039 0.0065 -0.0004 12424 GLY 46 HA3 0.0039 0.0060 -0.0005 12425 GLY 47 N 0.0035 0.0043 -0.0007 12426 GLY 47 CA 0.0038 0.0035 -0.0012 12427 GLY 47 C 0.0032 0.0026 -0.0010 12428 GLY 47 O 0.0031 0.0022 -0.0011 12429 GLY 47 H 0.0029 0.0043 -0.0003 12430 GLY 47 HA2 0.0040 0.0037 -0.0013 12431 GLY 47 HA3 0.0043 0.0034 -0.0016 12432 PRO 48 N 0.0028 0.0022 -0.0009 12433 PRO 48 CA 0.0022 0.0014 -0.0007 12434 PRO 48 C 0.0015 0.0013 -0.0002 12435 PRO 48 O 0.0015 0.0016 -0.0002 12436 PRO 48 CB 0.0020 0.0013 -0.0006 12437 PRO 48 CG 0.0027 0.0018 -0.0009 12438 PRO 48 CD 0.0029 0.0026 -0.0008 12439 PRO 48 HA 0.0025 0.0008 -0.0011 12440 PRO 48 HB2 0.0015 0.0015 -0.0001 12441 PRO 48 HB3 0.0019 0.0005 -0.0007 12442 PRO 48 HG2 0.0025 0.0020 -0.0007 12443 PRO 48 HG3 0.0031 0.0014 -0.0014 12444 PRO 48 HD2 0.0026 0.0032 -0.0004 12445 PRO 48 HD3 0.0036 0.0029 -0.0012 12446 ALA 49 N 0.0010 0.0009 0.0003 12447 ALA 49 CA 0.0003 0.0008 0.0007 12448 ALA 49 C 0.0002 0.0015 0.0010 12449 ALA 49 O -0.0001 0.0014 0.0011 12450 ALA 49 CB -0.0003 0.0005 0.0011 12451 ALA 49 H 0.0009 0.0007 0.0003 12452 ALA 49 HA 0.0004 0.0002 0.0006 12453 ALA 49 HB1 -0.0006 -0.0000 0.0013 12454 ALA 49 HB2 -0.0007 0.0011 0.0014 12455 ALA 49 HB3 -0.0001 0.0004 0.0010 12456 SER 50 N 0.0003 0.0023 0.0010 12457 SER 50 CA 0.0002 0.0031 0.0012 12458 SER 50 C 0.0006 0.0031 0.0009 12459 SER 50 O 0.0003 0.0031 0.0011 12460 SER 50 CB 0.0004 0.0039 0.0012 12461 SER 50 OG -0.0002 0.0041 0.0017 12462 SER 50 H 0.0006 0.0024 0.0008 12463 SER 50 HA -0.0004 0.0030 0.0016 12464 SER 50 HB2 0.0008 0.0038 0.0009 12465 SER 50 HB3 0.0005 0.0044 0.0012 12466 SER 50 HG -0.0007 0.0040 0.0019 12467 GLU 51 N 0.0013 0.0031 0.0004 12468 GLU 51 CA 0.0018 0.0031 0.0001 12469 GLU 51 C 0.0016 0.0023 0.0001 12470 GLU 51 O 0.0018 0.0023 -0.0000 12471 GLU 51 CB 0.0026 0.0032 -0.0004 12472 GLU 51 CG 0.0028 0.0040 -0.0005 12473 GLU 51 CD 0.0030 0.0047 -0.0005 12474 GLU 51 OE1 0.0025 0.0051 -0.0001 12475 GLU 51 OE2 0.0037 0.0049 -0.0009 12476 GLU 51 H 0.0015 0.0030 0.0003 12477 GLU 51 HA 0.0017 0.0036 0.0002 12478 GLU 51 HB2 0.0026 0.0026 -0.0006 12479 GLU 51 HB3 0.0029 0.0031 -0.0007 12480 GLU 51 HG2 0.0023 0.0042 -0.0001 12481 GLU 51 HG3 0.0032 0.0039 -0.0008 12482 ALA 52 N 0.0013 0.0016 0.0002 12483 ALA 52 CA 0.0011 0.0008 0.0002 12484 ALA 52 C 0.0005 0.0009 0.0006 12485 ALA 52 O 0.0004 0.0004 0.0006 12486 ALA 52 CB 0.0010 0.0001 0.0001 12487 ALA 52 H 0.0012 0.0016 0.0002 12488 ALA 52 HA 0.0016 0.0006 -0.0002 12489 ALA 52 HB1 0.0015 -0.0001 -0.0002 12490 ALA 52 HB2 0.0007 -0.0005 0.0002 12491 ALA 52 HB3 0.0006 0.0003 0.0004 12492 GLY 53 N 0.0000 0.0014 0.0010 12493 GLY 53 CA -0.0006 0.0015 0.0015 12494 GLY 53 C -0.0013 0.0015 0.0019 12495 GLY 53 O -0.0018 0.0017 0.0024 12496 GLY 53 H 0.0002 0.0018 0.0010 12497 GLY 53 HA2 -0.0005 0.0021 0.0015 12498 GLY 53 HA3 -0.0007 0.0010 0.0014 12499 LEU 54 N -0.0012 0.0014 0.0019 12500 LEU 54 CA -0.0018 0.0013 0.0023 12501 LEU 54 C -0.0020 0.0022 0.0026 12502 LEU 54 O -0.0016 0.0028 0.0024 12503 LEU 54 CB -0.0017 0.0009 0.0021 12504 LEU 54 CG -0.0023 0.0006 0.0025 12505 LEU 54 CD1 -0.0021 -0.0000 0.0023 12506 LEU 54 CD2 -0.0027 0.0013 0.0029 12507 LEU 54 H -0.0007 0.0012 0.0015 12508 LEU 54 HA -0.0023 0.0010 0.0026 12509 LEU 54 HB2 -0.0014 0.0004 0.0018 12510 LEU 54 HB3 -0.0013 0.0014 0.0020 12511 LEU 54 HG -0.0027 0.0002 0.0027 12512 LEU 54 HD11 -0.0019 -0.0006 0.0020 12513 LEU 54 HD12 -0.0026 -0.0003 0.0026 12514 LEU 54 HD13 -0.0018 0.0003 0.0021 12515 LEU 54 HD21 -0.0031 0.0011 0.0031 12516 LEU 54 HD22 -0.0029 0.0017 0.0031 12517 LEU 54 HD23 -0.0023 0.0017 0.0027 12518 ARG 55 N -0.0027 0.0013 0.0003 12519 ARG 55 CA -0.0031 0.0018 0.0003 12520 ARG 55 C -0.0035 0.0020 0.0008 12521 ARG 55 O -0.0037 0.0016 0.0012 12522 ARG 55 CB -0.0031 0.0018 0.0003 12523 ARG 55 CG -0.0032 0.0013 0.0008 12524 ARG 55 CD -0.0037 0.0016 0.0013 12525 ARG 55 NE -0.0038 0.0020 0.0011 12526 ARG 55 CZ -0.0042 0.0023 0.0014 12527 ARG 55 NH1 -0.0046 0.0022 0.0019 12528 ARG 55 NH2 -0.0043 0.0027 0.0012 12529 ARG 55 H -0.0026 0.0009 0.0005 12530 ARG 55 HA -0.0030 0.0022 -0.0001 12531 ARG 55 HB2 -0.0034 0.0022 0.0004 12532 ARG 55 HB3 -0.0028 0.0018 -0.0000 12533 ARG 55 HG2 -0.0029 0.0011 0.0007 12534 ARG 55 HG3 -0.0031 0.0010 0.0010 12535 ARG 55 HD2 -0.0037 0.0012 0.0016 12536 ARG 55 HD3 -0.0039 0.0018 0.0014 12537 ARG 55 HE -0.0036 0.0021 0.0007 12538 ARG 55 HH11 -0.0045 0.0019 0.0020 12539 ARG 55 HH12 -0.0049 0.0024 0.0021 12540 ARG 55 HH21 -0.0041 0.0027 0.0008 12541 ARG 55 HH22 -0.0046 0.0029 0.0014 12542 GLN 56 N -0.0038 0.0025 0.0007 12543 GLN 56 CA -0.0042 0.0027 0.0011 12544 GLN 56 C -0.0045 0.0026 0.0015 12545 GLN 56 O -0.0046 0.0028 0.0014 12546 GLN 56 CB -0.0044 0.0033 0.0008 12547 GLN 56 CG -0.0049 0.0035 0.0012 12548 GLN 56 CD -0.0050 0.0040 0.0010 12549 GLN 56 OE1 -0.0046 0.0040 0.0005 12550 GLN 56 NE2 -0.0054 0.0044 0.0012 12551 GLN 56 H -0.0036 0.0027 0.0003 12552 GLN 56 HA -0.0042 0.0024 0.0012 12553 GLN 56 HB2 -0.0042 0.0033 0.0005 12554 GLN 56 HB3 -0.0045 0.0036 0.0007 12555 GLN 56 HG2 -0.0051 0.0036 0.0015 12556 GLN 56 HG3 -0.0048 0.0031 0.0015 12557 GLN 56 HE21 -0.0056 0.0044 0.0015 12558 GLN 56 HE22 -0.0055 0.0048 0.0010 12559 GLY 57 N -0.0048 0.0024 0.0020 12560 GLY 57 CA -0.0051 0.0023 0.0025 12561 GLY 57 C -0.0049 0.0017 0.0026 12562 GLY 57 O -0.0048 0.0017 0.0025 12563 GLY 57 H -0.0048 0.0022 0.0021 12564 GLY 57 HA2 -0.0054 0.0023 0.0028 12565 GLY 57 HA3 -0.0053 0.0027 0.0024 12566 ASP 58 N -0.0047 0.0012 0.0028 12567 ASP 58 CA -0.0044 0.0007 0.0029 12568 ASP 58 C -0.0046 0.0002 0.0034 12569 ASP 58 O -0.0047 0.0003 0.0034 12570 ASP 58 CB -0.0039 0.0005 0.0024 12571 ASP 58 CG -0.0037 0.0001 0.0024 12572 ASP 58 OD1 -0.0039 -0.0002 0.0028 12573 ASP 58 OD2 -0.0033 0.0000 0.0020 12574 ASP 58 H -0.0048 0.0013 0.0028 12575 ASP 58 HA -0.0046 0.0007 0.0030 12576 ASP 58 HB2 -0.0039 0.0008 0.0020 12577 ASP 58 HB3 -0.0038 0.0002 0.0024 12578 LEU 59 N -0.0046 -0.0002 0.0037 12579 LEU 59 CA -0.0047 -0.0006 0.0042 12580 LEU 59 C -0.0042 -0.0012 0.0040 12581 LEU 59 O -0.0039 -0.0014 0.0038 12582 LEU 59 CB -0.0049 -0.0008 0.0046 12583 LEU 59 CG -0.0050 -0.0014 0.0051 12584 LEU 59 CD1 -0.0054 -0.0012 0.0055 12585 LEU 59 CD2 -0.0050 -0.0017 0.0054 12586 LEU 59 H -0.0045 -0.0002 0.0036 12587 LEU 59 HA -0.0049 -0.0005 0.0043 12588 LEU 59 HB2 -0.0053 -0.0005 0.0048 12589 LEU 59 HB3 -0.0048 -0.0009 0.0045 12590 LEU 59 HG -0.0046 -0.0017 0.0049 12591 LEU 59 HD11 -0.0053 -0.0010 0.0052 12592 LEU 59 HD12 -0.0054 -0.0017 0.0058 12593 LEU 59 HD13 -0.0057 -0.0010 0.0056 12594 LEU 59 HD21 -0.0053 -0.0013 0.0055 12595 LEU 59 HD22 -0.0051 -0.0020 0.0057 12596 LEU 59 HD23 -0.0047 -0.0018 0.0051 12597 ILE 60 N -0.0042 -0.0014 0.0041 12598 ILE 60 CA -0.0038 -0.0019 0.0040 12599 ILE 60 C -0.0038 -0.0024 0.0045 12600 ILE 60 O -0.0042 -0.0025 0.0050 12601 ILE 60 CB -0.0038 -0.0018 0.0039 12602 ILE 60 CG1 -0.0037 -0.0013 0.0034 12603 ILE 60 CG2 -0.0034 -0.0024 0.0039 12604 ILE 60 CD1 -0.0041 -0.0007 0.0035 12605 ILE 60 H -0.0045 -0.0012 0.0043 12606 ILE 60 HA -0.0035 -0.0019 0.0037 12607 ILE 60 HB -0.0041 -0.0018 0.0043 12608 ILE 60 HG12 -0.0035 -0.0014 0.0033 12609 ILE 60 HG13 -0.0034 -0.0013 0.0031 12610 ILE 60 HG21 -0.0033 -0.0023 0.0038 12611 ILE 60 HG22 -0.0030 -0.0025 0.0035 12612 ILE 60 HG23 -0.0034 -0.0027 0.0042 12613 ILE 60 HD11 -0.0044 -0.0007 0.0039 12614 ILE 60 HD12 -0.0042 -0.0006 0.0036 12615 ILE 60 HD13 -0.0040 -0.0004 0.0032 12616 THR 61 N -0.0036 -0.0026 0.0040 12617 THR 61 CA -0.0037 -0.0032 0.0042 12618 THR 61 C -0.0036 -0.0036 0.0039 12619 THR 61 O -0.0037 -0.0039 0.0041 12620 THR 61 CB -0.0038 -0.0035 0.0044 12621 THR 61 OG1 -0.0036 -0.0037 0.0039 12622 THR 61 CG2 -0.0040 -0.0031 0.0048 12623 THR 61 H -0.0034 -0.0026 0.0037 12624 THR 61 HA -0.0039 -0.0031 0.0046 12625 THR 61 HB -0.0040 -0.0039 0.0046 12626 THR 61 HG1 -0.0036 -0.0041 0.0038 12627 THR 61 HG21 -0.0038 -0.0027 0.0045 12628 THR 61 HG22 -0.0041 -0.0029 0.0051 12629 THR 61 HG23 -0.0040 -0.0034 0.0049 12630 HIS 62 N -0.0034 -0.0036 0.0033 12631 HIS 62 CA -0.0032 -0.0039 0.0029 12632 HIS 62 C -0.0030 -0.0036 0.0024 12633 HIS 62 O -0.0029 -0.0032 0.0023 12634 HIS 62 CB -0.0032 -0.0045 0.0028 12635 HIS 62 CG -0.0035 -0.0049 0.0032 12636 HIS 62 ND1 -0.0036 -0.0049 0.0035 12637 HIS 62 CD2 -0.0036 -0.0053 0.0035 12638 HIS 62 CE1 -0.0038 -0.0053 0.0039 12639 HIS 62 NE2 -0.0038 -0.0055 0.0039 12640 HIS 62 H -0.0033 -0.0033 0.0032 12641 HIS 62 HA -0.0033 -0.0041 0.0031 12642 HIS 62 HB2 -0.0031 -0.0044 0.0026 12643 HIS 62 HB3 -0.0031 -0.0048 0.0025 12644 HIS 62 HD2 -0.0036 -0.0054 0.0034 12645 HIS 62 HE1 -0.0039 -0.0054 0.0042 12646 HIS 62 HE2 -0.0040 -0.0058 0.0043 12647 VAL 63 N -0.0028 -0.0038 0.0021 12648 VAL 63 CA -0.0026 -0.0035 0.0016 12649 VAL 63 C -0.0024 -0.0040 0.0011 12650 VAL 63 O -0.0025 -0.0043 0.0012 12651 VAL 63 CB -0.0026 -0.0030 0.0016 12652 VAL 63 CG1 -0.0027 -0.0032 0.0019 12653 VAL 63 CG2 -0.0023 -0.0027 0.0011 12654 VAL 63 H -0.0029 -0.0041 0.0022 12655 VAL 63 HA -0.0025 -0.0033 0.0014 12656 VAL 63 HB -0.0027 -0.0027 0.0019 12657 VAL 63 HG11 -0.0029 -0.0034 0.0023 12658 VAL 63 HG12 -0.0027 -0.0029 0.0019 12659 VAL 63 HG13 -0.0026 -0.0036 0.0016 12660 VAL 63 HG21 -0.0023 -0.0026 0.0010 12661 VAL 63 HG22 -0.0022 -0.0023 0.0010 12662 VAL 63 HG23 -0.0022 -0.0031 0.0007 12663 ASN 64 N -0.0023 -0.0041 0.0007 12664 ASN 64 CA -0.0021 -0.0045 0.0003 12665 ASN 64 C -0.0023 -0.0052 0.0005 12666 ASN 64 O -0.0022 -0.0055 0.0003 12667 ASN 64 CB -0.0020 -0.0044 -0.0001 12668 ASN 64 CG -0.0017 -0.0044 -0.0007 12669 ASN 64 OD1 -0.0016 -0.0042 -0.0009 12670 ASN 64 ND2 -0.0016 -0.0046 -0.0010 12671 ASN 64 H -0.0022 -0.0038 0.0007 12672 ASN 64 HA -0.0020 -0.0046 -0.0000 12673 ASN 64 HB2 -0.0020 -0.0039 0.0001 12674 ASN 64 HB3 -0.0020 -0.0047 0.0000 12675 ASN 64 HD21 -0.0016 -0.0047 -0.0009 12676 ASN 64 HD22 -0.0014 -0.0046 -0.0014 12677 GLY 65 N -0.0025 -0.0053 0.0010 12678 GLY 65 CA -0.0027 -0.0058 0.0012 12679 GLY 65 C -0.0028 -0.0059 0.0016 12680 GLY 65 O -0.0028 -0.0064 0.0015 12681 GLY 65 H -0.0025 -0.0050 0.0011 12682 GLY 65 HA2 -0.0028 -0.0059 0.0015 12683 GLY 65 HA3 -0.0025 -0.0062 0.0009 12684 GLU 66 N -0.0029 -0.0054 0.0019 12685 GLU 66 CA -0.0030 -0.0054 0.0022 12686 GLU 66 C -0.0032 -0.0050 0.0027 12687 GLU 66 O -0.0032 -0.0044 0.0027 12688 GLU 66 CB -0.0029 -0.0052 0.0019 12689 GLU 66 CG -0.0030 -0.0054 0.0020 12690 GLU 66 CD -0.0030 -0.0061 0.0019 12691 GLU 66 OE1 -0.0032 -0.0064 0.0022 12692 GLU 66 OE2 -0.0028 -0.0063 0.0015 12693 GLU 66 H -0.0029 -0.0050 0.0018 12694 GLU 66 HA -0.0031 -0.0058 0.0023 12695 GLU 66 HB2 -0.0027 -0.0053 0.0014 12696 GLU 66 HB3 -0.0028 -0.0047 0.0019 12697 GLU 66 HG2 -0.0029 -0.0052 0.0018 12698 GLU 66 HG3 -0.0032 -0.0053 0.0025 12699 PRO 67 N -0.0052 -0.0038 0.0022 12700 PRO 67 CA -0.0052 -0.0035 0.0028 12701 PRO 67 C -0.0049 -0.0031 0.0027 12702 PRO 67 O -0.0048 -0.0032 0.0024 12703 PRO 67 CB -0.0056 -0.0039 0.0030 12704 PRO 67 CG -0.0057 -0.0044 0.0026 12705 PRO 67 CD -0.0055 -0.0043 0.0022 12706 PRO 67 HA -0.0052 -0.0034 0.0030 12707 PRO 67 HB2 -0.0055 -0.0038 0.0031 12708 PRO 67 HB3 -0.0057 -0.0039 0.0034 12709 PRO 67 HG2 -0.0057 -0.0045 0.0024 12710 PRO 67 HG3 -0.0060 -0.0046 0.0028 12711 PRO 67 HD2 -0.0055 -0.0045 0.0018 12712 PRO 67 HD3 -0.0056 -0.0044 0.0023 12713 VAL 68 N -0.0047 -0.0027 0.0030 12714 VAL 68 CA -0.0044 -0.0022 0.0030 12715 VAL 68 C -0.0046 -0.0022 0.0034 12716 VAL 68 O -0.0043 -0.0019 0.0035 12717 VAL 68 CB -0.0041 -0.0018 0.0032 12718 VAL 68 CG1 -0.0040 -0.0018 0.0027 12719 VAL 68 CG2 -0.0043 -0.0017 0.0037 12720 VAL 68 H -0.0048 -0.0027 0.0033 12721 VAL 68 HA -0.0043 -0.0023 0.0026 12722 VAL 68 HB -0.0039 -0.0015 0.0032 12723 VAL 68 HG11 -0.0042 -0.0021 0.0027 12724 VAL 68 HG12 -0.0038 -0.0018 0.0024 12725 VAL 68 HG13 -0.0038 -0.0015 0.0029 12726 VAL 68 HG21 -0.0046 -0.0020 0.0038 12727 VAL 68 HG22 -0.0042 -0.0014 0.0038 12728 VAL 68 HG23 -0.0045 -0.0017 0.0040 12729 HIS 69 N -0.0049 -0.0025 0.0037 12730 HIS 69 CA -0.0051 -0.0025 0.0042 12731 HIS 69 C -0.0051 -0.0026 0.0040 12732 HIS 69 O -0.0053 -0.0030 0.0037 12733 HIS 69 CB -0.0055 -0.0030 0.0044 12734 HIS 69 CG -0.0056 -0.0029 0.0047 12735 HIS 69 ND1 -0.0060 -0.0031 0.0051 12736 HIS 69 CD2 -0.0054 -0.0026 0.0047 12737 HIS 69 CE1 -0.0060 -0.0030 0.0054 12738 HIS 69 NE2 -0.0056 -0.0026 0.0052 12739 HIS 69 H -0.0050 -0.0027 0.0037 12740 HIS 69 HA -0.0050 -0.0022 0.0045 12741 HIS 69 HB2 -0.0056 -0.0033 0.0040 12742 HIS 69 HB3 -0.0057 -0.0031 0.0046 12743 HIS 69 HD2 -0.0051 -0.0023 0.0045 12744 HIS 69 HE1 -0.0062 -0.0031 0.0057 12745 HIS 69 HE2 -0.0055 -0.0024 0.0053 12746 GLY 70 N -0.0048 -0.0022 0.0040 12747 GLY 70 CA -0.0048 -0.0022 0.0039 12748 GLY 70 C -0.0044 -0.0020 0.0034 12749 GLY 70 O -0.0043 -0.0019 0.0032 12750 GLY 70 H -0.0047 -0.0019 0.0042 12751 GLY 70 HA2 -0.0048 -0.0020 0.0042 12752 GLY 70 HA3 -0.0050 -0.0026 0.0037 12753 LEU 71 N -0.0042 -0.0019 0.0031 12754 LEU 71 CA -0.0038 -0.0016 0.0027 12755 LEU 71 C -0.0035 -0.0011 0.0029 12756 LEU 71 O -0.0036 -0.0009 0.0033 12757 LEU 71 CB -0.0037 -0.0017 0.0024 12758 LEU 71 CG -0.0040 -0.0022 0.0021 12759 LEU 71 CD1 -0.0038 -0.0022 0.0017 12760 LEU 71 CD2 -0.0041 -0.0025 0.0018 12761 LEU 71 H -0.0043 -0.0019 0.0033 12762 LEU 71 HA -0.0039 -0.0018 0.0024 12763 LEU 71 HB2 -0.0037 -0.0015 0.0027 12764 LEU 71 HB3 -0.0035 -0.0015 0.0021 12765 LEU 71 HG -0.0042 -0.0024 0.0024 12766 LEU 71 HD11 -0.0037 -0.0020 0.0020 12767 LEU 71 HD12 -0.0040 -0.0025 0.0016 12768 LEU 71 HD13 -0.0036 -0.0020 0.0014 12769 LEU 71 HD21 -0.0043 -0.0026 0.0021 12770 LEU 71 HD22 -0.0038 -0.0023 0.0015 12771 LEU 71 HD23 -0.0042 -0.0028 0.0016 12772 VAL 72 N -0.0033 -0.0009 0.0026 12773 VAL 72 CA -0.0030 -0.0004 0.0027 12774 VAL 72 C -0.0027 -0.0001 0.0025 12775 VAL 72 O -0.0027 -0.0003 0.0023 12776 VAL 72 CB -0.0028 -0.0003 0.0025 12777 VAL 72 CG1 -0.0025 -0.0002 0.0019 12778 VAL 72 CG2 -0.0027 0.0000 0.0028 12779 VAL 72 H -0.0033 -0.0012 0.0022 12780 VAL 72 HA -0.0031 -0.0003 0.0032 12781 VAL 72 HB -0.0030 -0.0007 0.0024 12782 VAL 72 HG11 -0.0024 -0.0003 0.0017 12783 VAL 72 HG12 -0.0022 0.0002 0.0020 12784 VAL 72 HG13 -0.0025 -0.0004 0.0017 12785 VAL 72 HG21 -0.0026 0.0000 0.0027 12786 VAL 72 HG22 -0.0030 -0.0001 0.0032 12787 VAL 72 HG23 -0.0025 0.0004 0.0029 12788 HIS 73 N -0.0028 -0.0004 0.0032 12789 HIS 73 CA -0.0024 -0.0000 0.0031 12790 HIS 73 C -0.0021 -0.0002 0.0024 12791 HIS 73 O -0.0020 -0.0002 0.0023 12792 HIS 73 CB -0.0021 0.0005 0.0032 12793 HIS 73 CG -0.0017 0.0010 0.0032 12794 HIS 73 ND1 -0.0018 0.0013 0.0036 12795 HIS 73 CD2 -0.0013 0.0013 0.0028 12796 HIS 73 CE1 -0.0014 0.0018 0.0035 12797 HIS 73 NE2 -0.0011 0.0018 0.0030 12798 HIS 73 H -0.0028 -0.0003 0.0035 12799 HIS 73 HA -0.0025 0.0001 0.0033 12800 HIS 73 HB2 -0.0023 0.0006 0.0036 12801 HIS 73 HB3 -0.0019 0.0005 0.0028 12802 HIS 73 HD1 -0.0021 0.0012 0.0040 12803 HIS 73 HD2 -0.0011 0.0013 0.0024 12804 HIS 73 HE1 -0.0014 0.0020 0.0038 12805 THR 74 N -0.0020 -0.0003 0.0020 12806 THR 74 CA -0.0017 -0.0005 0.0014 12807 THR 74 C -0.0019 -0.0011 0.0012 12808 THR 74 O -0.0017 -0.0012 0.0007 12809 THR 74 CB -0.0015 -0.0004 0.0011 12810 THR 74 OG1 -0.0018 -0.0009 0.0012 12811 THR 74 CG2 -0.0013 0.0001 0.0014 12812 THR 74 H -0.0021 -0.0003 0.0022 12813 THR 74 HA -0.0014 -0.0002 0.0013 12814 THR 74 HB -0.0012 -0.0005 0.0007 12815 THR 74 HG1 -0.0018 -0.0012 0.0008 12816 THR 74 HG21 -0.0010 0.0005 0.0013 12817 THR 74 HG22 -0.0012 0.0001 0.0013 12818 THR 74 HG23 -0.0015 0.0002 0.0019 12819 GLU 75 N -0.0024 -0.0014 0.0015 12820 GLU 75 CA -0.0026 -0.0020 0.0013 12821 GLU 75 C -0.0026 -0.0020 0.0013 12822 GLU 75 O -0.0026 -0.0023 0.0009 12823 GLU 75 CB -0.0031 -0.0024 0.0016 12824 GLU 75 CG -0.0032 -0.0026 0.0015 12825 GLU 75 CD -0.0037 -0.0030 0.0017 12826 GLU 75 OE1 -0.0039 -0.0029 0.0023 12827 GLU 75 OE2 -0.0038 -0.0035 0.0014 12828 GLU 75 H -0.0025 -0.0013 0.0019 12829 GLU 75 HA -0.0025 -0.0022 0.0008 12830 GLU 75 HB2 -0.0032 -0.0021 0.0021 12831 GLU 75 HB3 -0.0033 -0.0027 0.0016 12832 GLU 75 HG2 -0.0030 -0.0028 0.0010 12833 GLU 75 HG3 -0.0030 -0.0022 0.0016 12834 VAL 76 N -0.0027 -0.0016 0.0017 12835 VAL 76 CA -0.0027 -0.0016 0.0018 12836 VAL 76 C -0.0022 -0.0014 0.0013 12837 VAL 76 O -0.0022 -0.0016 0.0010 12838 VAL 76 CB -0.0028 -0.0013 0.0024 12839 VAL 76 CG1 -0.0033 -0.0016 0.0028 12840 VAL 76 CG2 -0.0025 -0.0007 0.0026 12841 VAL 76 H -0.0027 -0.0014 0.0021 12842 VAL 76 HA -0.0029 -0.0020 0.0017 12843 VAL 76 HB -0.0027 -0.0012 0.0023 12844 VAL 76 HG11 -0.0034 -0.0016 0.0029 12845 VAL 76 HG12 -0.0035 -0.0020 0.0027 12846 VAL 76 HG13 -0.0034 -0.0013 0.0032 12847 VAL 76 HG21 -0.0024 -0.0006 0.0023 12848 VAL 76 HG22 -0.0027 -0.0006 0.0030 12849 VAL 76 HG23 -0.0023 -0.0003 0.0025 12850 VAL 77 N -0.0019 -0.0009 0.0012 12851 VAL 77 CA -0.0014 -0.0006 0.0008 12852 VAL 77 C -0.0013 -0.0011 0.0002 12853 VAL 77 O -0.0011 -0.0011 -0.0002 12854 VAL 77 CB -0.0011 -0.0001 0.0008 12855 VAL 77 CG1 -0.0006 0.0002 0.0004 12856 VAL 77 CG2 -0.0012 0.0003 0.0014 12857 VAL 77 H -0.0019 -0.0007 0.0015 12858 VAL 77 HA -0.0014 -0.0005 0.0009 12859 VAL 77 HB -0.0011 -0.0003 0.0007 12860 VAL 77 HG11 -0.0005 -0.0001 -0.0000 12861 VAL 77 HG12 -0.0004 0.0005 0.0004 12862 VAL 77 HG13 -0.0005 0.0004 0.0006 12863 VAL 77 HG21 -0.0015 0.0000 0.0017 12864 VAL 77 HG22 -0.0012 0.0004 0.0016 12865 VAL 77 HG23 -0.0010 0.0006 0.0014 12866 GLU 78 N -0.0015 -0.0014 0.0001 12867 GLU 78 CA -0.0014 -0.0018 -0.0005 12868 GLU 78 C -0.0017 -0.0023 -0.0006 12869 GLU 78 O -0.0016 -0.0025 -0.0010 12870 GLU 78 CB -0.0016 -0.0021 -0.0005 12871 GLU 78 CG -0.0012 -0.0017 -0.0007 12872 GLU 78 CD -0.0013 -0.0020 -0.0010 12873 GLU 78 OE1 -0.0016 -0.0022 -0.0006 12874 GLU 78 OE2 -0.0010 -0.0021 -0.0015 12875 GLU 78 H -0.0016 -0.0013 0.0004 12876 GLU 78 HA -0.0011 -0.0016 -0.0008 12877 GLU 78 HB2 -0.0019 -0.0021 -0.0001 12878 GLU 78 HB3 -0.0017 -0.0025 -0.0009 12879 GLU 78 HG2 -0.0009 -0.0015 -0.0010 12880 GLU 78 HG3 -0.0012 -0.0014 -0.0003 12881 LEU 79 N -0.0016 -0.0035 0.0000 12882 LEU 79 CA -0.0018 -0.0040 0.0000 12883 LEU 79 C -0.0015 -0.0037 -0.0003 12884 LEU 79 O -0.0014 -0.0042 -0.0007 12885 LEU 79 CB -0.0023 -0.0040 0.0007 12886 LEU 79 CG -0.0027 -0.0048 0.0008 12887 LEU 79 CD1 -0.0025 -0.0053 0.0003 12888 LEU 79 CD2 -0.0028 -0.0051 0.0008 12889 LEU 79 H -0.0018 -0.0033 0.0005 12890 LEU 79 HA -0.0018 -0.0045 -0.0002 12891 LEU 79 HB2 -0.0024 -0.0038 0.0010 12892 LEU 79 HB3 -0.0023 -0.0038 0.0008 12893 LEU 79 HG -0.0030 -0.0048 0.0012 12894 LEU 79 HD11 -0.0024 -0.0050 0.0003 12895 LEU 79 HD12 -0.0028 -0.0058 0.0004 12896 LEU 79 HD13 -0.0023 -0.0053 -0.0002 12897 LEU 79 HD21 -0.0029 -0.0048 0.0011 12898 LEU 79 HD22 -0.0026 -0.0053 0.0003 12899 LEU 79 HD23 -0.0032 -0.0056 0.0010 12900 ILE 80 N -0.0013 -0.0030 -0.0002 12901 ILE 80 CA -0.0009 -0.0027 -0.0005 12902 ILE 80 C -0.0005 -0.0028 -0.0012 12903 ILE 80 O -0.0003 -0.0030 -0.0016 12904 ILE 80 CB -0.0009 -0.0020 -0.0001 12905 ILE 80 CG1 -0.0013 -0.0019 0.0005 12906 ILE 80 CG2 -0.0004 -0.0015 -0.0005 12907 ILE 80 CD1 -0.0014 -0.0013 0.0010 12908 ILE 80 H -0.0014 -0.0027 0.0001 12909 ILE 80 HA -0.0011 -0.0030 -0.0004 12910 ILE 80 HB -0.0008 -0.0017 -0.0000 12911 ILE 80 HG12 -0.0013 -0.0019 0.0004 12912 ILE 80 HG13 -0.0016 -0.0024 0.0007 12913 ILE 80 HG21 -0.0004 -0.0019 -0.0007 12914 ILE 80 HG22 -0.0001 -0.0015 -0.0009 12915 ILE 80 HG23 -0.0004 -0.0010 -0.0002 12916 ILE 80 HD11 -0.0017 -0.0014 0.0014 12917 ILE 80 HD12 -0.0011 -0.0008 0.0009 12918 ILE 80 HD13 -0.0015 -0.0013 0.0011 12919 LEU 81 N -0.0003 -0.0025 -0.0013 12920 LEU 81 CA 0.0002 -0.0025 -0.0019 12921 LEU 81 C 0.0001 -0.0033 -0.0023 12922 LEU 81 O 0.0005 -0.0034 -0.0029 12923 LEU 81 CB 0.0003 -0.0022 -0.0019 12924 LEU 81 CG 0.0004 -0.0014 -0.0016 12925 LEU 81 CD1 0.0004 -0.0012 -0.0015 12926 LEU 81 CD2 0.0008 -0.0009 -0.0019 12927 LEU 81 H -0.0004 -0.0023 -0.0009 12928 LEU 81 HA 0.0004 -0.0022 -0.0021 12929 LEU 81 HB2 0.0000 -0.0025 -0.0017 12930 LEU 81 HB3 0.0006 -0.0022 -0.0024 12931 LEU 81 HG 0.0001 -0.0013 -0.0011 12932 LEU 81 HD11 0.0001 -0.0015 -0.0012 12933 LEU 81 HD12 0.0005 -0.0006 -0.0013 12934 LEU 81 HD13 0.0007 -0.0013 -0.0020 12935 LEU 81 HD21 0.0011 -0.0010 -0.0024 12936 LEU 81 HD22 0.0009 -0.0004 -0.0017 12937 LEU 81 HD23 0.0008 -0.0011 -0.0019 12938 LYS 82 N -0.0003 -0.0038 -0.0020 12939 LYS 82 CA -0.0004 -0.0045 -0.0023 12940 LYS 82 C -0.0003 -0.0048 -0.0026 12941 LYS 82 O -0.0001 -0.0052 -0.0031 12942 LYS 82 CB -0.0009 -0.0049 -0.0019 12943 LYS 82 CG -0.0010 -0.0057 -0.0021 12944 LYS 82 CD -0.0015 -0.0062 -0.0017 12945 LYS 82 CE -0.0019 -0.0060 -0.0011 12946 LYS 82 NZ -0.0024 -0.0065 -0.0007 12947 LYS 82 H -0.0005 -0.0036 -0.0016 12948 LYS 82 HA -0.0002 -0.0046 -0.0027 12949 LYS 82 HB2 -0.0010 -0.0047 -0.0015 12950 LYS 82 HB3 -0.0011 -0.0050 -0.0016 12951 LYS 82 HG2 -0.0008 -0.0059 -0.0026 12952 LYS 82 HG3 -0.0009 -0.0057 -0.0022 12953 LYS 82 HD2 -0.0016 -0.0061 -0.0016 12954 LYS 82 HD3 -0.0016 -0.0067 -0.0020 12955 LYS 82 HE2 -0.0018 -0.0061 -0.0013 12956 LYS 82 HE3 -0.0018 -0.0055 -0.0009 12957 LYS 82 HZ1 -0.0024 -0.0071 -0.0010 12958 LYS 82 HZ2 -0.0025 -0.0065 -0.0005 12959 LYS 82 HZ3 -0.0026 -0.0064 -0.0003 12960 SER 83 N -0.0004 -0.0045 -0.0023 12961 SER 83 CA -0.0003 -0.0047 -0.0025 12962 SER 83 C 0.0002 -0.0045 -0.0031 12963 SER 83 O 0.0003 -0.0050 -0.0036 12964 SER 83 CB -0.0005 -0.0043 -0.0020 12965 SER 83 OG -0.0005 -0.0045 -0.0022 12966 SER 83 H -0.0006 -0.0042 -0.0019 12967 SER 83 HA -0.0005 -0.0052 -0.0026 12968 SER 83 HB2 -0.0009 -0.0044 -0.0016 12969 SER 83 HB3 -0.0003 -0.0037 -0.0020 12970 SER 83 HG -0.0003 -0.0041 -0.0023 12971 GLY 84 N 0.0005 -0.0038 -0.0032 12972 GLY 84 CA 0.0010 -0.0036 -0.0038 12973 GLY 84 C 0.0013 -0.0029 -0.0037 12974 GLY 84 O 0.0012 -0.0024 -0.0033 12975 GLY 84 H 0.0004 -0.0035 -0.0028 12976 GLY 84 HA2 0.0012 -0.0036 -0.0040 12977 GLY 84 HA3 0.0011 -0.0040 -0.0041 12978 ASN 85 N 0.0018 -0.0033 -0.0039 12979 ASN 85 CA 0.0020 -0.0026 -0.0040 12980 ASN 85 C 0.0017 -0.0024 -0.0036 12981 ASN 85 O 0.0018 -0.0018 -0.0036 12982 ASN 85 CB 0.0025 -0.0027 -0.0047 12983 ASN 85 CG 0.0024 -0.0034 -0.0048 12984 ASN 85 OD1 0.0023 -0.0033 -0.0047 12985 ASN 85 ND2 0.0024 -0.0041 -0.0050 12986 ASN 85 H 0.0019 -0.0038 -0.0042 12987 ASN 85 HA 0.0021 -0.0021 -0.0040 12988 ASN 85 HB2 0.0026 -0.0022 -0.0048 12989 ASN 85 HB3 0.0027 -0.0029 -0.0051 12990 ASN 85 HD21 0.0024 -0.0041 -0.0051 12991 ASN 85 HD22 0.0023 -0.0045 -0.0051 12992 LYS 86 N 0.0013 -0.0028 -0.0031 12993 LYS 86 CA 0.0010 -0.0027 -0.0026 12994 LYS 86 C 0.0005 -0.0031 -0.0020 12995 LYS 86 O 0.0004 -0.0036 -0.0020 12996 LYS 86 CB 0.0011 -0.0030 -0.0029 12997 LYS 86 CG 0.0011 -0.0038 -0.0031 12998 LYS 86 CD 0.0013 -0.0041 -0.0034 12999 LYS 86 CE 0.0012 -0.0050 -0.0035 13000 LYS 86 NZ 0.0007 -0.0053 -0.0029 13001 LYS 86 H 0.0012 -0.0033 -0.0031 13002 LYS 86 HA 0.0010 -0.0021 -0.0024 13003 LYS 86 HB2 0.0009 -0.0029 -0.0025 13004 LYS 86 HB3 0.0014 -0.0026 -0.0032 13005 LYS 86 HG2 0.0014 -0.0039 -0.0036 13006 LYS 86 HG3 0.0008 -0.0042 -0.0028 13007 LYS 86 HD2 0.0010 -0.0039 -0.0030 13008 LYS 86 HD3 0.0016 -0.0038 -0.0038 13009 LYS 86 HE2 0.0013 -0.0051 -0.0038 13010 LYS 86 HE3 0.0013 -0.0052 -0.0038 13011 LYS 86 HZ1 0.0005 -0.0052 -0.0026 13012 LYS 86 HZ2 0.0006 -0.0059 -0.0030 13013 LYS 86 HZ3 0.0005 -0.0052 -0.0026 13014 VAL 87 N 0.0002 -0.0030 -0.0015 13015 VAL 87 CA -0.0003 -0.0034 -0.0009 13016 VAL 87 C -0.0006 -0.0033 -0.0004 13017 VAL 87 O -0.0005 -0.0027 -0.0004 13018 VAL 87 CB -0.0005 -0.0030 -0.0005 13019 VAL 87 CG1 -0.0005 -0.0022 -0.0003 13020 VAL 87 CG2 -0.0010 -0.0035 0.0000 13021 VAL 87 H 0.0003 -0.0027 -0.0015 13022 VAL 87 HA -0.0003 -0.0040 -0.0011 13023 VAL 87 HB -0.0003 -0.0031 -0.0009 13024 VAL 87 HG11 -0.0006 -0.0021 -0.0001 13025 VAL 87 HG12 -0.0002 -0.0018 -0.0007 13026 VAL 87 HG13 -0.0007 -0.0020 0.0001 13027 VAL 87 HG21 -0.0011 -0.0032 0.0003 13028 VAL 87 HG22 -0.0010 -0.0041 -0.0002 13029 VAL 87 HG23 -0.0012 -0.0036 0.0003 13030 ALA 88 N -0.0010 -0.0039 -0.0001 13031 ALA 88 CA -0.0013 -0.0040 0.0003 13032 ALA 88 C -0.0017 -0.0037 0.0011 13033 ALA 88 O -0.0021 -0.0042 0.0014 13034 ALA 88 CB -0.0014 -0.0048 0.0003 13035 ALA 88 H -0.0010 -0.0044 -0.0002 13036 ALA 88 HA -0.0011 -0.0036 0.0002 13037 ALA 88 HB1 -0.0011 -0.0050 -0.0002 13038 ALA 88 HB2 -0.0017 -0.0048 0.0007 13039 ALA 88 HB3 -0.0016 -0.0052 0.0004 13040 ILE 89 N -0.0017 -0.0029 0.0013 13041 ILE 89 CA -0.0021 -0.0026 0.0019 13042 ILE 89 C -0.0024 -0.0027 0.0024 13043 ILE 89 O -0.0023 -0.0023 0.0024 13044 ILE 89 CB -0.0020 -0.0018 0.0020 13045 ILE 89 CG1 -0.0024 -0.0014 0.0027 13046 ILE 89 CG2 -0.0016 -0.0013 0.0016 13047 ILE 89 CD1 -0.0023 -0.0006 0.0027 13048 ILE 89 H -0.0014 -0.0026 0.0010 13049 ILE 89 HA -0.0023 -0.0030 0.0021 13050 ILE 89 HB -0.0018 -0.0017 0.0017 13051 ILE 89 HG12 -0.0025 -0.0013 0.0029 13052 ILE 89 HG13 -0.0027 -0.0018 0.0029 13053 ILE 89 HG21 -0.0018 -0.0012 0.0018 13054 ILE 89 HG22 -0.0013 -0.0015 0.0011 13055 ILE 89 HG23 -0.0015 -0.0007 0.0016 13056 ILE 89 HD11 -0.0026 -0.0004 0.0032 13057 ILE 89 HD12 -0.0020 -0.0003 0.0024 13058 ILE 89 HD13 -0.0022 -0.0008 0.0027 13059 SER 90 N -0.0029 -0.0032 0.0028 13060 SER 90 CA -0.0032 -0.0033 0.0033 13061 SER 90 C -0.0035 -0.0028 0.0039 13062 SER 90 O -0.0038 -0.0028 0.0043 13063 SER 90 CB -0.0035 -0.0042 0.0035 13064 SER 90 OG -0.0036 -0.0044 0.0036 13065 SER 90 H -0.0029 -0.0035 0.0029 13066 SER 90 HA -0.0030 -0.0032 0.0031 13067 SER 90 HB2 -0.0032 -0.0045 0.0030 13068 SER 90 HB3 -0.0038 -0.0042 0.0039 13069 SER 90 HG -0.0035 -0.0041 0.0035 13070 THR 91 N -0.0027 -0.0003 0.0053 13071 THR 91 CA -0.0029 -0.0013 0.0035 13072 THR 91 C -0.0012 -0.0008 0.0018 13073 THR 91 O -0.0000 0.0003 0.0020 13074 THR 91 CB -0.0045 -0.0029 0.0029 13075 THR 91 OG1 -0.0043 -0.0030 0.0025 13076 THR 91 CG2 -0.0061 -0.0035 0.0046 13077 THR 91 H -0.0027 -0.0003 0.0054 13078 THR 91 HA -0.0030 -0.0013 0.0038 13079 THR 91 HB -0.0046 -0.0037 0.0016 13080 THR 91 HG1 -0.0046 -0.0039 0.0012 13081 THR 91 HG21 -0.0060 -0.0027 0.0060 13082 THR 91 HG22 -0.0063 -0.0035 0.0049 13083 THR 91 HG23 -0.0072 -0.0046 0.0042 13084 THR 92 N -0.0011 -0.0016 0.0000 13085 THR 92 CA 0.0004 -0.0012 -0.0017 13086 THR 92 C 0.0001 -0.0022 -0.0033 13087 THR 92 O -0.0008 -0.0034 -0.0045 13088 THR 92 CB 0.0010 -0.0011 -0.0027 13089 THR 92 OG1 0.0025 -0.0008 -0.0044 13090 THR 92 CG2 -0.0005 -0.0026 -0.0033 13091 THR 92 H -0.0022 -0.0025 -0.0002 13092 THR 92 HA 0.0014 -0.0001 -0.0011 13093 THR 92 HB 0.0014 -0.0003 -0.0015 13094 THR 92 HG1 0.0026 -0.0009 -0.0048 13095 THR 92 HG21 -0.0016 -0.0029 -0.0020 13096 THR 92 HG22 -0.0000 -0.0025 -0.0038 13097 THR 92 HG23 -0.0008 -0.0035 -0.0045 13098 PRO 93 N 0.0009 -0.0016 -0.0035 13099 PRO 93 CA 0.0008 -0.0024 -0.0050 13100 PRO 93 C 0.0014 -0.0030 -0.0072 13101 PRO 93 O 0.0021 -0.0026 -0.0075 13102 PRO 93 CB 0.0021 -0.0013 -0.0048 13103 PRO 93 CG 0.0021 -0.0002 -0.0026 13104 PRO 93 CD 0.0018 -0.0002 -0.0020 13105 PRO 93 HA -0.0005 -0.0033 -0.0047 13106 PRO 93 HB2 0.0034 -0.0007 -0.0058 13107 PRO 93 HB3 0.0017 -0.0018 -0.0051 13108 PRO 93 HG2 0.0034 0.0009 -0.0025 13109 PRO 93 HG3 0.0011 -0.0006 -0.0017 13110 PRO 93 HD2 0.0031 0.0008 -0.0022 13111 PRO 93 HD3 0.0010 -0.0001 -0.0005 13112 LEU 94 N 0.0011 -0.0039 -0.0086 13113 LEU 94 CA 0.0016 -0.0045 -0.0107 13114 LEU 94 C 0.0036 -0.0033 -0.0116 13115 LEU 94 O 0.0045 -0.0021 -0.0107 13116 LEU 94 CB 0.0009 -0.0057 -0.0120 13117 LEU 94 CG -0.0001 -0.0059 -0.0108 13118 LEU 94 CD1 0.0012 -0.0046 -0.0104 13119 LEU 94 CD2 -0.0012 -0.0074 -0.0120 13120 LEU 94 H 0.0006 -0.0041 -0.0082 13121 LEU 94 HA 0.0010 -0.0050 -0.0108 13122 LEU 94 HB2 0.0020 -0.0053 -0.0132 13123 LEU 94 HB3 0.0000 -0.0067 -0.0127 13124 LEU 94 HG -0.0009 -0.0059 -0.0094 13125 LEU 94 HD11 0.0016 -0.0037 -0.0091 13126 LEU 94 HD12 0.0007 -0.0050 -0.0103 13127 LEU 94 HD13 0.0024 -0.0043 -0.0117 13128 LEU 94 HD21 -0.0021 -0.0083 -0.0123 13129 LEU 94 HD22 -0.0004 -0.0074 -0.0134 13130 LEU 94 HD23 -0.0019 -0.0075 -0.0111 13131 GLU 95 N 0.0041 -0.0036 -0.0132 13132 GLU 95 CA 0.0060 -0.0026 -0.0142 13133 GLU 95 C 0.0063 -0.0034 -0.0164 13134 GLU 95 O 0.0051 -0.0047 -0.0171 13135 GLU 95 CB 0.0067 -0.0014 -0.0131 13136 GLU 95 CG 0.0062 -0.0021 -0.0135 13137 GLU 95 CD 0.0044 -0.0030 -0.0123 13138 GLU 95 OE1 0.0042 -0.0023 -0.0106 13139 GLU 95 OE2 0.0032 -0.0043 -0.0131 13140 GLU 95 H 0.0033 -0.0046 -0.0138 13141 GLU 95 HA 0.0066 -0.0020 -0.0140 13142 GLU 95 HB2 0.0081 -0.0005 -0.0135 13143 GLU 95 HB3 0.0063 -0.0010 -0.0115 13144 GLU 95 HG2 0.0063 -0.0028 -0.0151 13145 GLU 95 HG3 0.0072 -0.0011 -0.0132 13146 ASN 96 N 0.0079 -0.0026 -0.0176 13147 ASN 96 CA 0.0084 -0.0033 -0.0197 13148 ASN 96 C 0.0086 -0.0033 -0.0202 13149 ASN 96 O 0.0089 -0.0024 -0.0188 13150 ASN 96 CB 0.0101 -0.0024 -0.0208 13151 ASN 96 CG 0.0117 -0.0009 -0.0203 13152 ASN 96 OD1 0.0125 -0.0007 -0.0213 13153 ASN 96 ND2 0.0122 0.0002 -0.0189 13154 ASN 96 OXT 0.0085 -0.0042 -0.0218 13155 ASN 96 H 0.0088 -0.0016 -0.0169 13156 ASN 96 HA 0.0073 -0.0044 -0.0203 13157 ASN 96 HB2 0.0103 -0.0030 -0.0225 13158 ASN 96 HB3 0.0099 -0.0023 -0.0204 13159 ASN 96 HD21 0.0115 0.0000 -0.0182 13160 ASN 96 HD22 0.0132 0.0013 -0.0185 13161 SER 101 N 0.0063 0.0010 0.0033 13162 SER 101 CA 0.0055 0.0002 0.0045 13163 SER 101 C 0.0044 -0.0006 0.0056 13164 SER 101 O 0.0028 -0.0002 0.0055 13165 SER 101 CB 0.0070 -0.0006 0.0050 13166 SER 101 OG 0.0081 0.0001 0.0040 13167 SER 101 H1 0.0072 0.0014 0.0026 13168 SER 101 H2 0.0070 0.0005 0.0037 13169 SER 101 H3 0.0053 0.0017 0.0028 13170 SER 101 HA 0.0046 0.0007 0.0040 13171 SER 101 HB2 0.0078 -0.0013 0.0056 13172 SER 101 HB3 0.0064 -0.0012 0.0058 13173 SER 101 HG 0.0080 0.0000 0.0041 13174 TRP 102 N 0.0052 -0.0018 0.0067 13175 TRP 102 CA 0.0042 -0.0026 0.0079 13176 TRP 102 C 0.0055 -0.0032 0.0083 13177 TRP 102 O 0.0054 -0.0043 0.0096 13178 TRP 102 CB 0.0035 -0.0035 0.0091 13179 TRP 102 CG 0.0015 -0.0035 0.0095 13180 TRP 102 CD1 0.0003 -0.0032 0.0095 13181 TRP 102 CD2 0.0005 -0.0036 0.0099 13182 TRP 102 NE1 -0.0014 -0.0033 0.0100 13183 TRP 102 CE2 -0.0014 -0.0035 0.0102 13184 TRP 102 CE3 0.0009 -0.0038 0.0101 13185 TRP 102 CZ2 -0.0028 -0.0036 0.0106 13186 TRP 102 CZ3 -0.0005 -0.0040 0.0105 13187 TRP 102 CH2 -0.0023 -0.0038 0.0108 13188 TRP 102 H 0.0064 -0.0020 0.0068 13189 TRP 102 HA 0.0031 -0.0020 0.0075 13190 TRP 102 HB2 0.0038 -0.0033 0.0088 13191 TRP 102 HB3 0.0042 -0.0044 0.0100 13192 TRP 102 HD1 0.0006 -0.0031 0.0093 13193 TRP 102 HE1 -0.0026 -0.0032 0.0101 13194 TRP 102 HE3 0.0023 -0.0039 0.0099 13195 TRP 102 HZ2 -0.0042 -0.0035 0.0108 13196 TRP 102 HZ3 -0.0002 -0.0041 0.0106 13197 TRP 102 HH2 -0.0033 -0.0039 0.0111 13198 GLU 103 N 0.0067 -0.0026 0.0073 13199 GLU 103 CA 0.0080 -0.0031 0.0076 13200 GLU 103 C 0.0071 -0.0032 0.0079 13201 GLU 103 O 0.0069 -0.0042 0.0091 13202 GLU 103 CB 0.0096 -0.0024 0.0064 13203 GLU 103 CG 0.0103 -0.0020 0.0058 13204 GLU 103 CD 0.0094 -0.0007 0.0046 13205 GLU 103 OE1 0.0077 -0.0005 0.0047 13206 GLU 103 OE2 0.0103 -0.0000 0.0035 13207 GLU 103 H 0.0067 -0.0018 0.0064 13208 GLU 103 HA 0.0086 -0.0040 0.0086 13209 GLU 103 HB2 0.0091 -0.0015 0.0056 13210 GLU 103 HB3 0.0107 -0.0029 0.0068 13211 GLU 103 HG2 0.0117 -0.0020 0.0055 13212 GLU 103 HG3 0.0101 -0.0027 0.0067 13213 SER 104 N 0.0066 -0.0021 0.0068 13214 SER 104 CA 0.0057 -0.0021 0.0070 13215 SER 104 C 0.0045 -0.0008 0.0058 13216 SER 104 O 0.0041 -0.0001 0.0051 13217 SER 104 CB 0.0071 -0.0023 0.0070 13218 SER 104 OG 0.0081 -0.0035 0.0081 13219 SER 104 H 0.0068 -0.0014 0.0059 13220 SER 104 HA 0.0048 -0.0027 0.0079 13221 SER 104 HB2 0.0080 -0.0017 0.0060 13222 SER 104 HB3 0.0064 -0.0023 0.0070 13223 SER 104 HG 0.0078 -0.0039 0.0086 13224 HIS 105 N 0.0041 -0.0005 0.0055 13225 HIS 105 CA 0.0030 0.0007 0.0044 13226 HIS 105 C 0.0041 0.0018 0.0029 13227 HIS 105 O 0.0049 0.0022 0.0023 13228 HIS 105 CB 0.0023 0.0007 0.0046 13229 HIS 105 CG 0.0036 0.0001 0.0050 13230 HIS 105 ND1 0.0045 0.0007 0.0041 13231 HIS 105 CD2 0.0040 -0.0012 0.0063 13232 HIS 105 CE1 0.0055 -0.0002 0.0048 13233 HIS 105 NE2 0.0053 -0.0013 0.0062 13234 HIS 105 H 0.0045 -0.0010 0.0060 13235 HIS 105 HA 0.0019 0.0009 0.0045 13236 HIS 105 HB2 0.0019 0.0017 0.0036 13237 HIS 105 HB3 0.0011 0.0003 0.0053 13238 HIS 105 HD2 0.0035 -0.0019 0.0073 13239 HIS 105 HE1 0.0064 0.0001 0.0044 13240 HIS 105 HE2 0.0060 -0.0021 0.0069 13241 LYS 106 N 0.0042 0.0022 0.0024 13242 LYS 106 CA 0.0052 0.0032 0.0011 13243 LYS 106 C 0.0040 0.0044 -0.0001 13244 LYS 106 O 0.0045 0.0053 -0.0012 13245 LYS 106 CB 0.0062 0.0029 0.0011 13246 LYS 106 CG 0.0080 0.0020 0.0017 13247 LYS 106 CD 0.0090 0.0020 0.0016 13248 LYS 106 CE 0.0109 0.0013 0.0020 13249 LYS 106 NZ 0.0120 0.0012 0.0018 13250 LYS 106 H 0.0036 0.0018 0.0030 13251 LYS 106 HA 0.0062 0.0032 0.0008 13252 LYS 106 HB2 0.0053 0.0026 0.0017 13253 LYS 106 HB3 0.0065 0.0038 0.0001 13254 LYS 106 HG2 0.0088 0.0023 0.0012 13255 LYS 106 HG3 0.0077 0.0011 0.0028 13256 LYS 106 HD2 0.0083 0.0015 0.0023 13257 LYS 106 HD3 0.0091 0.0029 0.0005 13258 LYS 106 HE2 0.0116 0.0017 0.0013 13259 LYS 106 HE3 0.0109 0.0004 0.0030 13260 LYS 106 HZ1 0.0113 0.0008 0.0025 13261 LYS 106 HZ2 0.0133 0.0007 0.0021 13262 LYS 106 HZ3 0.0121 0.0021 0.0008 13263 SER 107 N -0.0002 0.0019 0.0033 13264 SER 107 CA -0.0004 0.0018 0.0029 13265 SER 107 C -0.0003 0.0019 0.0026 13266 SER 107 O -0.0006 0.0018 0.0023 13267 SER 107 CB -0.0008 0.0015 0.0031 13268 SER 107 OG -0.0008 0.0014 0.0035 13269 SER 107 H -0.0002 0.0019 0.0035 13270 SER 107 HA -0.0003 0.0018 0.0028 13271 SER 107 HB2 -0.0009 0.0014 0.0028 13272 SER 107 HB3 -0.0009 0.0014 0.0031 13273 SER 107 HG -0.0010 0.0012 0.0035 13274 GLY 108 N -0.0000 0.0021 0.0026 13275 GLY 108 CA 0.0001 0.0022 0.0023 13276 GLY 108 C 0.0004 0.0025 0.0024 13277 GLY 108 O 0.0007 0.0027 0.0026 13278 GLY 108 H 0.0001 0.0022 0.0029 13279 GLY 108 HA2 0.0001 0.0023 0.0020 13280 GLY 108 HA3 -0.0001 0.0021 0.0022 13281 GLY 109 N 0.0004 0.0024 0.0024 13282 GLY 109 CA 0.0007 0.0027 0.0026 13283 GLY 109 C 0.0006 0.0025 0.0027 13284 GLY 109 O 0.0003 0.0023 0.0030 13285 GLY 109 H 0.0001 0.0023 0.0023 13286 GLY 109 HA2 0.0008 0.0027 0.0028 13287 GLY 109 HA3 0.0008 0.0028 0.0023 13288 GLU 110 N 0.0007 0.0027 0.0025 13289 GLU 110 CA 0.0006 0.0026 0.0026 13290 GLU 110 C 0.0005 0.0025 0.0022 13291 GLU 110 O 0.0005 0.0026 0.0022 13292 GLU 110 CB 0.0009 0.0028 0.0028 13293 GLU 110 CG 0.0011 0.0029 0.0032 13294 GLU 110 CD 0.0014 0.0031 0.0035 13295 GLU 110 OE1 0.0017 0.0033 0.0034 13296 GLU 110 OE2 0.0013 0.0029 0.0038 13297 GLU 110 H 0.0009 0.0029 0.0023 13298 GLU 110 HA 0.0004 0.0024 0.0029 13299 GLU 110 HB2 0.0011 0.0030 0.0026 13300 GLU 110 HB3 0.0009 0.0028 0.0029 13301 GLU 110 HG2 0.0009 0.0028 0.0034 13302 GLU 110 HG3 0.0013 0.0031 0.0031 13303 THR 111 N 0.0003 0.0024 0.0019 13304 THR 111 CA 0.0001 0.0023 0.0016 13305 THR 111 C -0.0002 0.0021 0.0017 13306 THR 111 O -0.0005 0.0019 0.0017 13307 THR 111 CB -0.0001 0.0023 0.0012 13308 THR 111 OG1 0.0002 0.0025 0.0011 13309 THR 111 CG2 -0.0002 0.0022 0.0008 13310 THR 111 H 0.0002 0.0024 0.0020 13311 THR 111 HA 0.0003 0.0025 0.0014 13312 THR 111 HB -0.0003 0.0021 0.0013 13313 THR 111 HG1 0.0003 0.0025 0.0014 13314 THR 111 HG21 0.0000 0.0024 0.0006 13315 THR 111 HG22 -0.0004 0.0021 0.0008 13316 THR 111 HG23 -0.0003 0.0022 0.0006 13317 ARG 112 N -0.0002 0.0021 0.0017 13318 ARG 112 CA -0.0004 0.0019 0.0019 13319 ARG 112 C -0.0006 0.0018 0.0015 13320 ARG 112 O -0.0006 0.0019 0.0011 13321 ARG 112 CB -0.0002 0.0020 0.0021 13322 ARG 112 CG -0.0000 0.0022 0.0018 13323 ARG 112 CD 0.0002 0.0024 0.0021 13324 ARG 112 NE 0.0005 0.0026 0.0023 13325 ARG 112 CZ 0.0008 0.0029 0.0021 13326 ARG 112 NH1 0.0008 0.0029 0.0017 13327 ARG 112 NH2 0.0011 0.0031 0.0022 13328 ARG 112 H 0.0001 0.0023 0.0017 13329 ARG 112 HA -0.0006 0.0018 0.0021 13330 ARG 112 HB2 -0.0004 0.0018 0.0022 13331 ARG 112 HB3 -0.0001 0.0021 0.0024 13332 ARG 112 HG2 0.0002 0.0024 0.0017 13333 ARG 112 HG3 -0.0002 0.0021 0.0016 13334 ARG 112 HD2 0.0002 0.0024 0.0019 13335 ARG 112 HD3 0.0001 0.0022 0.0024 13336 ARG 112 HE 0.0006 0.0026 0.0025 13337 ARG 112 HH11 0.0006 0.0027 0.0016 13338 ARG 112 HH12 0.0010 0.0031 0.0016 13339 ARG 112 HH21 0.0012 0.0030 0.0025 13340 ARG 112 HH22 0.0014 0.0033 0.0021 13341 LEU 113 N -0.0005 0.0012 0.0011 13342 LEU 113 CA -0.0003 0.0008 0.0006 13343 LEU 113 C 0.0001 0.0011 0.0002 13344 LEU 113 O 0.0002 0.0009 -0.0001 13345 LEU 113 CB -0.0006 0.0004 0.0007 13346 LEU 113 CG -0.0010 -0.0002 0.0008 13347 LEU 113 CD1 -0.0008 -0.0006 0.0003 13348 LEU 113 CD2 -0.0013 -0.0001 0.0013 13349 LEU 113 OXT 0.0004 0.0016 0.0001 13350 LEU 113 H -0.0006 0.0014 0.0014 13351 LEU 113 HA -0.0003 0.0005 0.0004 13352 LEU 113 HB2 -0.0008 0.0006 0.0011 13353 LEU 113 HB3 -0.0004 0.0003 0.0004 13354 LEU 113 HG -0.0012 -0.0005 0.0008 13355 LEU 113 HD11 -0.0006 -0.0003 0.0002 13356 LEU 113 HD12 -0.0006 -0.0007 -0.0001 13357 LEU 113 HD13 -0.0011 -0.0010 0.0003 13358 LEU 113 HD21 -0.0014 0.0002 0.0016 13359 LEU 113 HD22 -0.0011 0.0001 0.0012 13360 LEU 113 HD23 -0.0016 -0.0005 0.0014 13361 GLY 1 N 0.0041 -0.0010 -0.0200 13362 GLY 1 CA 0.0033 -0.0013 -0.0180 13363 GLY 1 C 0.0059 -0.0000 -0.0173 13364 GLY 1 O 0.0084 0.0010 -0.0187 13365 GLY 1 H1 0.0022 -0.0020 -0.0207 13366 GLY 1 H2 0.0054 -0.0003 -0.0187 13367 GLY 1 H3 0.0053 -0.0006 -0.0221 13368 GLY 1 HA2 0.0017 -0.0021 -0.0193 13369 GLY 1 HA3 0.0022 -0.0016 -0.0157 13370 GLY 2 N 0.0056 -0.0000 -0.0150 13371 GLY 2 CA 0.0080 0.0011 -0.0141 13372 GLY 2 C 0.0090 0.0018 -0.0106 13373 GLY 2 O 0.0081 0.0015 -0.0091 13374 GLY 2 H 0.0036 -0.0009 -0.0139 13375 GLY 2 HA2 0.0099 0.0019 -0.0158 13376 GLY 2 HA3 0.0073 0.0008 -0.0143 13377 SER 3 N 0.0109 0.0028 -0.0094 13378 SER 3 CA 0.0120 0.0035 -0.0061 13379 SER 3 C 0.0118 0.0035 -0.0044 13380 SER 3 O 0.0119 0.0035 -0.0060 13381 SER 3 CB 0.0153 0.0050 -0.0062 13382 SER 3 OG 0.0156 0.0050 -0.0081 13383 SER 3 H 0.0115 0.0030 -0.0108 13384 SER 3 HA 0.0106 0.0030 -0.0048 13385 SER 3 HB2 0.0167 0.0056 -0.0073 13386 SER 3 HB3 0.0160 0.0055 -0.0038 13387 SER 3 HG 0.0159 0.0050 -0.0104 13388 MET 4 N 0.0115 0.0036 -0.0011 13389 MET 4 CA 0.0113 0.0037 0.0009 13390 MET 4 C 0.0085 0.0023 0.0001 13391 MET 4 O 0.0086 0.0023 -0.0017 13392 MET 4 CB 0.0141 0.0049 0.0004 13393 MET 4 CG 0.0169 0.0063 0.0019 13394 MET 4 SD 0.0203 0.0078 0.0006 13395 MET 4 CE 0.0197 0.0076 0.0025 13396 MET 4 H 0.0114 0.0037 -0.0000 13397 MET 4 HA 0.0111 0.0037 0.0035 13398 MET 4 HB2 0.0146 0.0049 -0.0022 13399 MET 4 HB3 0.0137 0.0048 0.0016 13400 MET 4 HG2 0.0167 0.0064 0.0046 13401 MET 4 HG3 0.0171 0.0063 0.0012 13402 MET 4 HE1 0.0179 0.0067 0.0013 13403 MET 4 HE2 0.0218 0.0085 0.0022 13404 MET 4 HE3 0.0192 0.0076 0.0051 13405 ARG 5 N 0.0059 0.0012 0.0014 13406 ARG 5 CA 0.0031 -0.0001 0.0008 13407 ARG 5 C 0.0029 -0.0001 0.0027 13408 ARG 5 O 0.0042 0.0007 0.0053 13409 ARG 5 CB 0.0005 -0.0013 0.0018 13410 ARG 5 CG 0.0001 -0.0015 -0.0003 13411 ARG 5 CD 0.0021 -0.0006 0.0009 13412 ARG 5 NE 0.0018 -0.0008 -0.0011 13413 ARG 5 CZ 0.0025 -0.0005 -0.0000 13414 ARG 5 NH1 0.0035 0.0002 0.0030 13415 ARG 5 NH2 0.0021 -0.0008 -0.0020 13416 ARG 5 H 0.0060 0.0013 0.0028 13417 ARG 5 HA 0.0030 -0.0003 -0.0018 13418 ARG 5 HB2 0.0007 -0.0010 0.0043 13419 ARG 5 HB3 -0.0016 -0.0022 0.0017 13420 ARG 5 HG2 -0.0022 -0.0026 -0.0003 13421 ARG 5 HG3 0.0008 -0.0014 -0.0028 13422 ARG 5 HD2 0.0044 0.0005 0.0007 13423 ARG 5 HD3 0.0015 -0.0007 0.0034 13424 ARG 5 HE 0.0010 -0.0013 -0.0034 13425 ARG 5 HH11 0.0038 0.0004 0.0044 13426 ARG 5 HH12 0.0040 0.0005 0.0038 13427 ARG 5 HH21 0.0013 -0.0013 -0.0043 13428 ARG 5 HH22 0.0026 -0.0005 -0.0012 13429 PRO 6 N 0.0013 -0.0009 0.0013 13430 PRO 6 CA 0.0010 -0.0010 0.0028 13431 PRO 6 C -0.0019 -0.0021 0.0049 13432 PRO 6 O -0.0044 -0.0034 0.0037 13433 PRO 6 CB 0.0008 -0.0012 -0.0002 13434 PRO 6 CG 0.0005 -0.0016 -0.0031 13435 PRO 6 CD -0.0003 -0.0018 -0.0017 13436 PRO 6 HA 0.0029 0.0000 0.0043 13437 PRO 6 HB2 -0.0011 -0.0021 0.0001 13438 PRO 6 HB3 0.0029 -0.0003 -0.0004 13439 PRO 6 HG2 -0.0013 -0.0025 -0.0046 13440 PRO 6 HG3 0.0026 -0.0007 -0.0045 13441 PRO 6 HD2 -0.0027 -0.0029 -0.0013 13442 PRO 6 HD3 0.0006 -0.0016 -0.0034 13443 PRO 7 N -0.0027 -0.0037 0.0022 13444 PRO 7 CA -0.0023 -0.0035 0.0018 13445 PRO 7 C -0.0018 -0.0030 0.0015 13446 PRO 7 O -0.0016 -0.0032 0.0011 13447 PRO 7 CB -0.0023 -0.0041 0.0015 13448 PRO 7 CG -0.0027 -0.0047 0.0017 13449 PRO 7 CD -0.0028 -0.0044 0.0020 13450 PRO 7 HA -0.0024 -0.0032 0.0021 13451 PRO 7 HB2 -0.0019 -0.0042 0.0010 13452 PRO 7 HB3 -0.0023 -0.0041 0.0015 13453 PRO 7 HG2 -0.0026 -0.0051 0.0014 13454 PRO 7 HG3 -0.0030 -0.0048 0.0020 13455 PRO 7 HD2 -0.0026 -0.0045 0.0017 13456 PRO 7 HD3 -0.0032 -0.0046 0.0024 13457 ILE 8 N -0.0016 -0.0024 0.0015 13458 ILE 8 CA -0.0011 -0.0019 0.0012 13459 ILE 8 C -0.0008 -0.0021 0.0006 13460 ILE 8 O -0.0007 -0.0020 0.0006 13461 ILE 8 CB -0.0011 -0.0012 0.0015 13462 ILE 8 CG1 -0.0016 -0.0011 0.0022 13463 ILE 8 CG2 -0.0007 -0.0007 0.0013 13464 ILE 8 CD1 -0.0018 -0.0008 0.0025 13465 ILE 8 H -0.0018 -0.0023 0.0018 13466 ILE 8 HA -0.0011 -0.0020 0.0011 13467 ILE 8 HB -0.0010 -0.0011 0.0014 13468 ILE 8 HG12 -0.0016 -0.0008 0.0023 13469 ILE 8 HG13 -0.0019 -0.0016 0.0022 13470 ILE 8 HG21 -0.0004 -0.0008 0.0008 13471 ILE 8 HG22 -0.0006 -0.0002 0.0014 13472 ILE 8 HG23 -0.0009 -0.0007 0.0015 13473 ILE 8 HD11 -0.0021 -0.0006 0.0030 13474 ILE 8 HD12 -0.0015 -0.0003 0.0024 13475 ILE 8 HD13 -0.0019 -0.0011 0.0025 13476 ILE 9 N -0.0005 -0.0024 0.0002 13477 ILE 9 CA -0.0001 -0.0026 -0.0004 13478 ILE 9 C 0.0003 -0.0020 -0.0006 13479 ILE 9 O 0.0006 -0.0017 -0.0009 13480 ILE 9 CB 0.0000 -0.0031 -0.0008 13481 ILE 9 CG1 -0.0004 -0.0036 -0.0005 13482 ILE 9 CG2 0.0003 -0.0035 -0.0013 13483 ILE 9 CD1 -0.0008 -0.0041 -0.0003 13484 ILE 9 H -0.0005 -0.0024 0.0002 13485 ILE 9 HA -0.0003 -0.0028 -0.0003 13486 ILE 9 HB 0.0003 -0.0028 -0.0010 13487 ILE 9 HG12 -0.0005 -0.0032 -0.0002 13488 ILE 9 HG13 -0.0003 -0.0038 -0.0008 13489 ILE 9 HG21 0.0006 -0.0032 -0.0016 13490 ILE 9 HG22 0.0003 -0.0039 -0.0016 13491 ILE 9 HG23 0.0000 -0.0038 -0.0011 13492 ILE 9 HD11 -0.0011 -0.0044 -0.0001 13493 ILE 9 HD12 -0.0009 -0.0038 0.0000 13494 ILE 9 HD13 -0.0006 -0.0044 -0.0006 13495 ILE 10 N 0.0004 -0.0017 -0.0006 13496 ILE 10 CA 0.0008 -0.0011 -0.0008 13497 ILE 10 C 0.0012 -0.0014 -0.0014 13498 ILE 10 O 0.0011 -0.0020 -0.0016 13499 ILE 10 CB 0.0007 -0.0008 -0.0005 13500 ILE 10 CG1 0.0003 -0.0006 0.0001 13501 ILE 10 CG2 0.0012 -0.0002 -0.0008 13502 ILE 10 CD1 0.0000 -0.0007 0.0004 13503 ILE 10 H 0.0001 -0.0019 -0.0004 13504 ILE 10 HA 0.0009 -0.0007 -0.0007 13505 ILE 10 HB 0.0007 -0.0012 -0.0007 13506 ILE 10 HG12 0.0004 -0.0000 0.0002 13507 ILE 10 HG13 0.0000 -0.0008 0.0003 13508 ILE 10 HG21 0.0011 0.0001 -0.0006 13509 ILE 10 HG22 0.0013 0.0002 -0.0007 13510 ILE 10 HG23 0.0015 -0.0003 -0.0012 13511 ILE 10 HD11 -0.0002 -0.0013 0.0004 13512 ILE 10 HD12 -0.0002 -0.0004 0.0008 13513 ILE 10 HD13 0.0003 -0.0005 0.0002 13514 HIS 11 N 0.0017 -0.0010 -0.0018 13515 HIS 11 CA 0.0021 -0.0012 -0.0024 13516 HIS 11 C 0.0024 -0.0006 -0.0026 13517 HIS 11 O 0.0026 -0.0000 -0.0025 13518 HIS 11 CB 0.0023 -0.0012 -0.0027 13519 HIS 11 CG 0.0027 -0.0015 -0.0034 13520 HIS 11 ND1 0.0032 -0.0011 -0.0037 13521 HIS 11 CD2 0.0027 -0.0022 -0.0036 13522 HIS 11 CE1 0.0035 -0.0015 -0.0043 13523 HIS 11 NE2 0.0032 -0.0022 -0.0042 13524 HIS 11 H 0.0017 -0.0005 -0.0016 13525 HIS 11 HA 0.0020 -0.0017 -0.0025 13526 HIS 11 HB2 0.0021 -0.0015 -0.0026 13527 HIS 11 HB3 0.0025 -0.0007 -0.0027 13528 HIS 11 HD2 0.0024 -0.0026 -0.0035 13529 HIS 11 HE1 0.0039 -0.0014 -0.0047 13530 HIS 11 HE2 0.0033 -0.0026 -0.0045 13531 ARG 12 N 0.0025 -0.0009 -0.0027 13532 ARG 12 CA 0.0028 -0.0004 -0.0029 13533 ARG 12 C 0.0033 -0.0001 -0.0034 13534 ARG 12 O 0.0036 -0.0005 -0.0039 13535 ARG 12 CB 0.0028 -0.0008 -0.0030 13536 ARG 12 CG 0.0030 -0.0003 -0.0031 13537 ARG 12 CD 0.0030 -0.0007 -0.0032 13538 ARG 12 NE 0.0033 -0.0003 -0.0034 13539 ARG 12 CZ 0.0035 -0.0005 -0.0038 13540 ARG 12 NH1 0.0034 -0.0012 -0.0040 13541 ARG 12 NH2 0.0038 -0.0001 -0.0039 13542 ARG 12 H 0.0023 -0.0013 -0.0028 13543 ARG 12 HA 0.0027 0.0000 -0.0025 13544 ARG 12 HB2 0.0024 -0.0010 -0.0026 13545 ARG 12 HB3 0.0029 -0.0012 -0.0034 13546 ARG 12 HG2 0.0034 -0.0001 -0.0035 13547 ARG 12 HG3 0.0029 0.0001 -0.0027 13548 ARG 12 HD2 0.0026 -0.0008 -0.0028 13549 ARG 12 HD3 0.0030 -0.0012 -0.0035 13550 ARG 12 HE 0.0033 0.0002 -0.0032 13551 ARG 12 HH11 0.0031 -0.0015 -0.0039 13552 ARG 12 HH12 0.0035 -0.0014 -0.0043 13553 ARG 12 HH21 0.0038 0.0004 -0.0037 13554 ARG 12 HH22 0.0039 -0.0003 -0.0042 13555 ALA 13 N 0.0038 0.0004 -0.0035 13556 ALA 13 CA 0.0045 0.0008 -0.0040 13557 ALA 13 C 0.0050 0.0010 -0.0044 13558 ALA 13 O 0.0054 0.0017 -0.0044 13559 ALA 13 CB 0.0046 0.0016 -0.0037 13560 ALA 13 H 0.0036 0.0008 -0.0031 13561 ALA 13 HA 0.0046 0.0004 -0.0044 13562 ALA 13 HB1 0.0051 0.0020 -0.0040 13563 ALA 13 HB2 0.0044 0.0020 -0.0032 13564 ALA 13 HB3 0.0043 0.0015 -0.0035 13565 GLY 14 N 0.0049 0.0004 -0.0046 13566 GLY 14 CA 0.0053 0.0005 -0.0050 13567 GLY 14 C 0.0050 0.0008 -0.0045 13568 GLY 14 O 0.0050 0.0005 -0.0046 13569 GLY 14 H 0.0046 -0.0002 -0.0046 13570 GLY 14 HA2 0.0053 -0.0001 -0.0053 13571 GLY 14 HA3 0.0058 0.0009 -0.0053 13572 LYS 15 N 0.0049 0.0015 -0.0040 13573 LYS 15 CA 0.0046 0.0019 -0.0035 13574 LYS 15 C 0.0039 0.0014 -0.0031 13575 LYS 15 O 0.0038 0.0009 -0.0032 13576 LYS 15 CB 0.0046 0.0028 -0.0031 13577 LYS 15 CG 0.0046 0.0029 -0.0030 13578 LYS 15 CD 0.0046 0.0037 -0.0026 13579 LYS 15 CE 0.0052 0.0044 -0.0028 13580 LYS 15 NZ 0.0052 0.0052 -0.0024 13581 LYS 15 H 0.0049 0.0017 -0.0040 13582 LYS 15 HA 0.0049 0.0020 -0.0038 13583 LYS 15 HB2 0.0043 0.0030 -0.0026 13584 LYS 15 HB3 0.0051 0.0032 -0.0034 13585 LYS 15 HG2 0.0050 0.0028 -0.0035 13586 LYS 15 HG3 0.0041 0.0024 -0.0028 13587 LYS 15 HD2 0.0045 0.0037 -0.0025 13588 LYS 15 HD3 0.0042 0.0038 -0.0021 13589 LYS 15 HE2 0.0052 0.0045 -0.0028 13590 LYS 15 HE3 0.0056 0.0043 -0.0033 13591 LYS 15 HZ1 0.0048 0.0054 -0.0019 13592 LYS 15 HZ2 0.0053 0.0052 -0.0025 13593 LYS 15 HZ3 0.0056 0.0057 -0.0026 13594 LYS 16 N 0.0034 0.0016 -0.0025 13595 LYS 16 CA 0.0027 0.0011 -0.0020 13596 LYS 16 C 0.0023 0.0011 -0.0016 13597 LYS 16 O 0.0026 0.0014 -0.0017 13598 LYS 16 CB 0.0025 0.0015 -0.0016 13599 LYS 16 CG 0.0027 0.0024 -0.0013 13600 LYS 16 CD 0.0026 0.0028 -0.0010 13601 LYS 16 CE 0.0025 0.0036 -0.0005 13602 LYS 16 NZ 0.0030 0.0043 -0.0007 13603 LYS 16 H 0.0035 0.0020 -0.0024 13604 LYS 16 HA 0.0027 0.0005 -0.0023 13605 LYS 16 HB2 0.0020 0.0012 -0.0012 13606 LYS 16 HB3 0.0027 0.0014 -0.0019 13607 LYS 16 HG2 0.0032 0.0027 -0.0017 13608 LYS 16 HG3 0.0024 0.0026 -0.0009 13609 LYS 16 HD2 0.0022 0.0024 -0.0009 13610 LYS 16 HD3 0.0031 0.0029 -0.0014 13611 LYS 16 HE2 0.0020 0.0035 -0.0001 13612 LYS 16 HE3 0.0024 0.0038 -0.0003 13613 LYS 16 HZ1 0.0029 0.0048 -0.0003 13614 LYS 16 HZ2 0.0032 0.0040 -0.0010 13615 LYS 16 HZ3 0.0034 0.0045 -0.0010 13616 TYR 17 N 0.0017 0.0009 -0.0011 13617 TYR 17 CA 0.0012 0.0008 -0.0006 13618 TYR 17 C 0.0011 0.0017 -0.0001 13619 TYR 17 O 0.0007 0.0018 0.0004 13620 TYR 17 CB 0.0006 0.0001 -0.0004 13621 TYR 17 CG 0.0007 -0.0007 -0.0009 13622 TYR 17 CD1 0.0008 -0.0009 -0.0011 13623 TYR 17 CD2 0.0008 -0.0012 -0.0012 13624 TYR 17 CE1 0.0010 -0.0016 -0.0017 13625 TYR 17 CE2 0.0009 -0.0020 -0.0018 13626 TYR 17 CZ 0.0010 -0.0021 -0.0020 13627 TYR 17 OH 0.0012 -0.0028 -0.0025 13628 TYR 17 H 0.0015 0.0007 -0.0010 13629 TYR 17 HA 0.0015 0.0008 -0.0009 13630 TYR 17 HB2 0.0003 0.0002 -0.0000 13631 TYR 17 HB3 0.0003 0.0000 -0.0001 13632 TYR 17 HD1 0.0008 -0.0005 -0.0009 13633 TYR 17 HD2 0.0007 -0.0011 -0.0011 13634 TYR 17 HE1 0.0011 -0.0018 -0.0018 13635 TYR 17 HE2 0.0009 -0.0024 -0.0020 13636 TYR 17 HH 0.0008 -0.0032 -0.0023 13637 GLY 18 N 0.0014 0.0022 -0.0001 13638 GLY 18 CA 0.0014 0.0030 0.0004 13639 GLY 18 C 0.0007 0.0031 0.0011 13640 GLY 18 O 0.0007 0.0038 0.0015 13641 GLY 18 H 0.0017 0.0020 -0.0005 13642 GLY 18 HA2 0.0017 0.0033 0.0002 13643 GLY 18 HA3 0.0015 0.0034 0.0004 13644 PHE 19 N -0.0013 0.0010 0.0018 13645 PHE 19 CA -0.0014 0.0010 0.0024 13646 PHE 19 C -0.0013 0.0011 0.0024 13647 PHE 19 O -0.0013 0.0011 0.0020 13648 PHE 19 CB -0.0018 0.0005 0.0026 13649 PHE 19 CG -0.0020 0.0002 0.0023 13650 PHE 19 CD1 -0.0020 -0.0000 0.0018 13651 PHE 19 CD2 -0.0022 -0.0000 0.0026 13652 PHE 19 CE1 -0.0022 -0.0003 0.0015 13653 PHE 19 CE2 -0.0024 -0.0003 0.0024 13654 PHE 19 CZ -0.0024 -0.0005 0.0019 13655 PHE 19 H -0.0014 0.0008 0.0015 13656 PHE 19 HA -0.0013 0.0012 0.0027 13657 PHE 19 HB2 -0.0019 0.0005 0.0030 13658 PHE 19 HB3 -0.0019 0.0004 0.0025 13659 PHE 19 HD1 -0.0019 0.0001 0.0015 13660 PHE 19 HD2 -0.0022 0.0001 0.0031 13661 PHE 19 HE1 -0.0023 -0.0005 0.0011 13662 PHE 19 HE2 -0.0025 -0.0005 0.0027 13663 PHE 19 HZ -0.0026 -0.0008 0.0017 13664 THR 20 N -0.0013 0.0013 0.0029 13665 THR 20 CA -0.0012 0.0015 0.0030 13666 THR 20 C -0.0015 0.0011 0.0033 13667 THR 20 O -0.0016 0.0010 0.0037 13668 THR 20 CB -0.0009 0.0019 0.0034 13669 THR 20 OG1 -0.0006 0.0023 0.0032 13670 THR 20 CG2 -0.0008 0.0021 0.0036 13671 THR 20 H -0.0013 0.0014 0.0032 13672 THR 20 HA -0.0011 0.0016 0.0026 13673 THR 20 HB -0.0011 0.0019 0.0038 13674 THR 20 HG1 -0.0007 0.0021 0.0029 13675 THR 20 HG21 -0.0007 0.0023 0.0032 13676 THR 20 HG22 -0.0010 0.0018 0.0037 13677 THR 20 HG23 -0.0007 0.0024 0.0040 13678 LEU 21 N -0.0016 0.0010 0.0030 13679 LEU 21 CA -0.0018 0.0006 0.0032 13680 LEU 21 C -0.0017 0.0009 0.0035 13681 LEU 21 O -0.0016 0.0009 0.0033 13682 LEU 21 CB -0.0020 0.0003 0.0028 13683 LEU 21 CG -0.0024 -0.0002 0.0029 13684 LEU 21 CD1 -0.0025 -0.0003 0.0034 13685 LEU 21 CD2 -0.0025 -0.0005 0.0024 13686 LEU 21 H -0.0014 0.0011 0.0026 13687 LEU 21 HA -0.0020 0.0004 0.0035 13688 LEU 21 HB2 -0.0019 0.0003 0.0024 13689 LEU 21 HB3 -0.0019 0.0004 0.0027 13690 LEU 21 HG -0.0025 -0.0003 0.0030 13691 LEU 21 HD11 -0.0028 -0.0007 0.0035 13692 LEU 21 HD12 -0.0024 -0.0002 0.0033 13693 LEU 21 HD13 -0.0024 -0.0001 0.0038 13694 LEU 21 HD21 -0.0025 -0.0005 0.0023 13695 LEU 21 HD22 -0.0028 -0.0009 0.0025 13696 LEU 21 HD23 -0.0024 -0.0005 0.0020 13697 ARG 22 N -0.0017 0.0010 0.0041 13698 ARG 22 CA -0.0016 0.0013 0.0044 13699 ARG 22 C -0.0019 0.0009 0.0046 13700 ARG 22 O -0.0021 0.0005 0.0047 13701 ARG 22 CB -0.0015 0.0015 0.0049 13702 ARG 22 CG -0.0012 0.0020 0.0051 13703 ARG 22 CD -0.0009 0.0023 0.0047 13704 ARG 22 NE -0.0006 0.0028 0.0050 13705 ARG 22 CZ -0.0003 0.0031 0.0048 13706 ARG 22 NH1 -0.0003 0.0031 0.0043 13707 ARG 22 NH2 -0.0001 0.0035 0.0051 13708 ARG 22 H -0.0017 0.0010 0.0042 13709 ARG 22 HA -0.0014 0.0015 0.0042 13710 ARG 22 HB2 -0.0015 0.0015 0.0049 13711 ARG 22 HB3 -0.0017 0.0013 0.0053 13712 ARG 22 HG2 -0.0012 0.0021 0.0055 13713 ARG 22 HG3 -0.0012 0.0020 0.0051 13714 ARG 22 HD2 -0.0008 0.0023 0.0044 13715 ARG 22 HD3 -0.0009 0.0022 0.0046 13716 ARG 22 HE -0.0006 0.0028 0.0054 13717 ARG 22 HH11 -0.0005 0.0028 0.0041 13718 ARG 22 HH12 -0.0001 0.0033 0.0042 13719 ARG 22 HH21 -0.0001 0.0036 0.0055 13720 ARG 22 HH22 0.0001 0.0038 0.0050 13721 ALA 23 N -0.0018 0.0010 0.0045 13722 ALA 23 CA -0.0020 0.0007 0.0047 13723 ALA 23 C -0.0020 0.0009 0.0052 13724 ALA 23 O -0.0017 0.0013 0.0054 13725 ALA 23 CB -0.0019 0.0007 0.0042 13726 ALA 23 H -0.0015 0.0013 0.0044 13727 ALA 23 HA -0.0022 0.0004 0.0047 13728 ALA 23 HB1 -0.0017 0.0011 0.0043 13729 ALA 23 HB2 -0.0019 0.0007 0.0038 13730 ALA 23 HB3 -0.0021 0.0005 0.0043 13731 ILE 24 N -0.0023 0.0006 0.0056 13732 ILE 24 CA -0.0023 0.0007 0.0061 13733 ILE 24 C -0.0026 0.0003 0.0062 13734 ILE 24 O -0.0027 0.0000 0.0059 13735 ILE 24 CB -0.0023 0.0007 0.0066 13736 ILE 24 CG1 -0.0026 0.0003 0.0064 13737 ILE 24 CG2 -0.0020 0.0012 0.0066 13738 ILE 24 CD1 -0.0028 0.0001 0.0070 13739 ILE 24 H -0.0025 0.0003 0.0054 13740 ILE 24 HA -0.0020 0.0010 0.0061 13741 ILE 24 HB -0.0024 0.0007 0.0070 13742 ILE 24 HG12 -0.0025 0.0005 0.0063 13743 ILE 24 HG13 -0.0027 0.0001 0.0061 13744 ILE 24 HG21 -0.0021 0.0012 0.0069 13745 ILE 24 HG22 -0.0019 0.0012 0.0062 13746 ILE 24 HG23 -0.0018 0.0014 0.0067 13747 ILE 24 HD11 -0.0030 -0.0001 0.0071 13748 ILE 24 HD12 -0.0030 -0.0001 0.0068 13749 ILE 24 HD13 -0.0027 0.0004 0.0073 13750 ARG 25 N 0.0007 -0.0027 0.0057 13751 ARG 25 CA 0.0003 -0.0010 0.0034 13752 ARG 25 C 0.0009 -0.0015 0.0035 13753 ARG 25 O 0.0030 -0.0031 0.0034 13754 ARG 25 CB 0.0018 -0.0005 0.0008 13755 ARG 25 CG 0.0045 -0.0025 0.0005 13756 ARG 25 CD 0.0053 -0.0023 -0.0007 13757 ARG 25 NE 0.0053 -0.0006 -0.0035 13758 ARG 25 CZ 0.0039 0.0012 -0.0044 13759 ARG 25 NH1 0.0022 0.0014 -0.0027 13760 ARG 25 NH2 0.0041 0.0027 -0.0070 13761 ARG 25 H 0.0019 -0.0042 0.0064 13762 ARG 25 HA -0.0017 0.0005 0.0037 13763 ARG 25 HB2 0.0019 0.0005 -0.0008 13764 ARG 25 HB3 0.0009 0.0004 0.0005 13765 ARG 25 HG2 0.0046 -0.0039 0.0025 13766 ARG 25 HG3 0.0057 -0.0027 -0.0007 13767 ARG 25 HD2 0.0040 -0.0020 0.0004 13768 ARG 25 HD3 0.0071 -0.0038 -0.0007 13769 ARG 25 HE 0.0066 -0.0007 -0.0048 13770 ARG 25 HH11 0.0020 0.0003 -0.0008 13771 ARG 25 HH12 0.0011 0.0028 -0.0034 13772 ARG 25 HH21 0.0053 0.0025 -0.0083 13773 ARG 25 HH22 0.0030 0.0040 -0.0076 13774 VAL 26 N -0.0010 -0.0002 0.0038 13775 VAL 26 CA -0.0007 -0.0004 0.0038 13776 VAL 26 C 0.0003 0.0006 0.0010 13777 VAL 26 O 0.0011 0.0012 -0.0010 13778 VAL 26 CB -0.0032 0.0006 0.0054 13779 VAL 26 CG1 -0.0040 -0.0007 0.0084 13780 VAL 26 CG2 -0.0053 0.0029 0.0043 13781 VAL 26 H -0.0026 0.0011 0.0039 13782 VAL 26 HA 0.0006 -0.0021 0.0048 13783 VAL 26 HB -0.0030 0.0006 0.0051 13784 VAL 26 HG11 -0.0042 -0.0008 0.0087 13785 VAL 26 HG12 -0.0025 -0.0024 0.0091 13786 VAL 26 HG13 -0.0057 0.0000 0.0094 13787 VAL 26 HG21 -0.0048 0.0039 0.0023 13788 VAL 26 HG22 -0.0054 0.0030 0.0044 13789 VAL 26 HG23 -0.0070 0.0036 0.0055 13790 TYR 27 N 0.0002 0.0009 0.0007 13791 TYR 27 CA 0.0010 0.0019 -0.0019 13792 TYR 27 C -0.0003 0.0028 -0.0017 13793 TYR 27 O -0.0005 0.0017 0.0003 13794 TYR 27 CB 0.0039 0.0003 -0.0030 13795 TYR 27 CG 0.0052 0.0008 -0.0054 13796 TYR 27 CD1 0.0058 0.0001 -0.0052 13797 TYR 27 CD2 0.0057 0.0020 -0.0080 13798 TYR 27 CE1 0.0070 0.0006 -0.0074 13799 TYR 27 CE2 0.0069 0.0025 -0.0103 13800 TYR 27 CZ 0.0075 0.0018 -0.0099 13801 TYR 27 OH 0.0087 0.0023 -0.0122 13802 TYR 27 H -0.0005 0.0004 0.0023 13803 TYR 27 HA 0.0005 0.0032 -0.0033 13804 TYR 27 HB2 0.0046 -0.0013 -0.0014 13805 TYR 27 HB3 0.0043 0.0003 -0.0036 13806 TYR 27 HD1 0.0054 -0.0009 -0.0032 13807 TYR 27 HD2 0.0052 0.0026 -0.0083 13808 TYR 27 HE1 0.0075 -0.0000 -0.0071 13809 TYR 27 HE2 0.0073 0.0035 -0.0123 13810 TYR 27 HH 0.0079 0.0038 -0.0134 13811 MET 28 N -0.0012 0.0047 -0.0036 13812 MET 28 CA -0.0026 0.0058 -0.0035 13813 MET 28 C -0.0013 0.0063 -0.0059 13814 MET 28 O -0.0013 0.0078 -0.0082 13815 MET 28 CB -0.0052 0.0078 -0.0032 13816 MET 28 CG -0.0066 0.0074 -0.0009 13817 MET 28 SD -0.0069 0.0055 0.0023 13818 MET 28 CE -0.0088 0.0057 0.0045 13819 MET 28 H -0.0009 0.0055 -0.0052 13820 MET 28 HA -0.0026 0.0046 -0.0017 13821 MET 28 HB2 -0.0052 0.0090 -0.0051 13822 MET 28 HB3 -0.0063 0.0085 -0.0030 13823 MET 28 HG2 -0.0057 0.0068 -0.0012 13824 MET 28 HG3 -0.0085 0.0089 -0.0010 13825 MET 28 HE1 -0.0106 0.0073 0.0042 13826 MET 28 HE2 -0.0079 0.0052 0.0041 13827 MET 28 HE3 -0.0091 0.0046 0.0066 13828 GLY 29 N -0.0004 0.0052 -0.0054 13829 GLY 29 CA 0.0008 0.0057 -0.0075 13830 GLY 29 C 0.0034 0.0048 -0.0094 13831 GLY 29 O 0.0047 0.0032 -0.0086 13832 GLY 29 H -0.0004 0.0041 -0.0036 13833 GLY 29 HA2 0.0009 0.0050 -0.0066 13834 GLY 29 HA3 -0.0004 0.0074 -0.0087 13835 ASP 30 N 0.0041 0.0057 -0.0118 13836 ASP 30 CA 0.0066 0.0051 -0.0138 13837 ASP 30 C 0.0064 0.0063 -0.0155 13838 ASP 30 O 0.0083 0.0056 -0.0168 13839 ASP 30 CB 0.0076 0.0054 -0.0156 13840 ASP 30 CG 0.0089 0.0035 -0.0143 13841 ASP 30 OD1 0.0076 0.0036 -0.0129 13842 ASP 30 OD2 0.0112 0.0020 -0.0148 13843 ASP 30 H 0.0030 0.0070 -0.0123 13844 ASP 30 HA 0.0078 0.0034 -0.0127 13845 ASP 30 HB2 0.0061 0.0069 -0.0160 13846 ASP 30 HB3 0.0089 0.0055 -0.0175 13847 SER 31 N 0.0035 0.0056 -0.0194 13848 SER 31 CA 0.0031 0.0068 -0.0210 13849 SER 31 C 0.0037 0.0054 -0.0193 13850 SER 31 O 0.0037 0.0039 -0.0166 13851 SER 31 CB 0.0004 0.0094 -0.0211 13852 SER 31 OG -0.0001 0.0108 -0.0228 13853 SER 31 H 0.0020 0.0064 -0.0183 13854 SER 31 HA 0.0044 0.0068 -0.0233 13855 SER 31 HB2 -0.0009 0.0095 -0.0187 13856 SER 31 HB3 0.0001 0.0102 -0.0222 13857 SER 31 HG 0.0014 0.0102 -0.0244 13858 ASP 32 N 0.0042 0.0057 -0.0209 13859 ASP 32 CA 0.0048 0.0044 -0.0195 13860 ASP 32 C 0.0025 0.0055 -0.0174 13861 ASP 32 O 0.0026 0.0052 -0.0168 13862 ASP 32 CB 0.0063 0.0043 -0.0221 13863 ASP 32 CG 0.0085 0.0018 -0.0213 13864 ASP 32 OD1 0.0081 0.0014 -0.0198 13865 ASP 32 OD2 0.0106 0.0003 -0.0221 13866 ASP 32 H 0.0041 0.0069 -0.0230 13867 ASP 32 HA 0.0060 0.0026 -0.0182 13868 ASP 32 HB2 0.0071 0.0047 -0.0242 13869 ASP 32 HB3 0.0050 0.0057 -0.0224 13870 VAL 33 N 0.0004 0.0069 -0.0163 13871 VAL 33 CA -0.0019 0.0081 -0.0142 13872 VAL 33 C -0.0017 0.0062 -0.0109 13873 VAL 33 O -0.0011 0.0050 -0.0097 13874 VAL 33 CB -0.0042 0.0103 -0.0143 13875 VAL 33 CG1 -0.0040 0.0098 -0.0137 13876 VAL 33 CG2 -0.0066 0.0114 -0.0119 13877 VAL 33 H 0.0005 0.0071 -0.0168 13878 VAL 33 HA -0.0020 0.0086 -0.0150 13879 VAL 33 HB -0.0044 0.0117 -0.0165 13880 VAL 33 HG11 -0.0032 0.0081 -0.0119 13881 VAL 33 HG12 -0.0028 0.0097 -0.0158 13882 VAL 33 HG13 -0.0058 0.0112 -0.0130 13883 VAL 33 HG21 -0.0064 0.0100 -0.0096 13884 VAL 33 HG22 -0.0082 0.0129 -0.0119 13885 VAL 33 HG23 -0.0069 0.0120 -0.0126 13886 TYR 34 N -0.0024 0.0061 -0.0095 13887 TYR 34 CA -0.0023 0.0045 -0.0063 13888 TYR 34 C -0.0044 0.0055 -0.0047 13889 TYR 34 O -0.0052 0.0071 -0.0061 13890 TYR 34 CB 0.0003 0.0020 -0.0064 13891 TYR 34 CG 0.0010 0.0021 -0.0079 13892 TYR 34 CD1 0.0004 0.0018 -0.0062 13893 TYR 34 CD2 0.0023 0.0024 -0.0110 13894 TYR 34 CE1 0.0011 0.0018 -0.0075 13895 TYR 34 CE2 0.0030 0.0024 -0.0124 13896 TYR 34 CZ 0.0024 0.0021 -0.0106 13897 TYR 34 OH 0.0031 0.0022 -0.0120 13898 TYR 34 H -0.0029 0.0072 -0.0106 13899 TYR 34 HA -0.0027 0.0042 -0.0052 13900 TYR 34 HB2 0.0003 0.0008 -0.0040 13901 TYR 34 HB3 0.0017 0.0013 -0.0076 13902 TYR 34 HD1 -0.0007 0.0015 -0.0037 13903 TYR 34 HD2 0.0028 0.0026 -0.0124 13904 TYR 34 HE1 0.0006 0.0016 -0.0061 13905 TYR 34 HE2 0.0041 0.0027 -0.0148 13906 TYR 34 HH 0.0031 0.0033 -0.0141 13907 THR 35 N -0.0052 0.0047 -0.0016 13908 THR 35 CA -0.0071 0.0056 0.0003 13909 THR 35 C -0.0061 0.0036 0.0023 13910 THR 35 O -0.0048 0.0016 0.0039 13911 THR 35 CB -0.0094 0.0068 0.0023 13912 THR 35 OG1 -0.0089 0.0063 0.0022 13913 THR 35 CG2 -0.0117 0.0095 0.0013 13914 THR 35 H -0.0045 0.0035 -0.0005 13915 THR 35 HA -0.0077 0.0070 -0.0013 13916 THR 35 HB -0.0098 0.0059 0.0047 13917 THR 35 HG1 -0.0094 0.0077 0.0006 13918 THR 35 HG21 -0.0122 0.0098 0.0016 13919 THR 35 HG22 -0.0133 0.0102 0.0027 13920 THR 35 HG23 -0.0113 0.0103 -0.0011 13921 VAL 36 N -0.0065 0.0040 0.0022 13922 VAL 36 CA -0.0056 0.0023 0.0040 13923 VAL 36 C -0.0075 0.0023 0.0073 13924 VAL 36 O -0.0095 0.0040 0.0079 13925 VAL 36 CB -0.0053 0.0027 0.0027 13926 VAL 36 CG1 -0.0039 0.0005 0.0042 13927 VAL 36 CG2 -0.0040 0.0032 -0.0008 13928 VAL 36 H -0.0074 0.0056 0.0008 13929 VAL 36 HA -0.0038 0.0005 0.0041 13930 VAL 36 HB -0.0072 0.0042 0.0031 13931 VAL 36 HG11 -0.0049 0.0002 0.0067 13932 VAL 36 HG12 -0.0037 0.0008 0.0032 13933 VAL 36 HG13 -0.0020 -0.0011 0.0039 13934 VAL 36 HG21 -0.0052 0.0050 -0.0019 13935 VAL 36 HG22 -0.0023 0.0018 -0.0013 13936 VAL 36 HG23 -0.0037 0.0033 -0.0017 13937 HIS 37 N -0.0050 -0.0003 0.0055 13938 HIS 37 CA -0.0050 -0.0004 0.0054 13939 HIS 37 C -0.0047 0.0000 0.0051 13940 HIS 37 O -0.0044 0.0004 0.0050 13941 HIS 37 CB -0.0052 -0.0005 0.0059 13942 HIS 37 CG -0.0055 -0.0010 0.0062 13943 HIS 37 ND1 -0.0058 -0.0015 0.0060 13944 HIS 37 CD2 -0.0057 -0.0010 0.0067 13945 HIS 37 CE1 -0.0061 -0.0018 0.0063 13946 HIS 37 NE2 -0.0060 -0.0015 0.0068 13947 HIS 37 H -0.0049 -0.0001 0.0058 13948 HIS 37 HA -0.0052 -0.0007 0.0050 13949 HIS 37 HB2 -0.0050 -0.0002 0.0063 13950 HIS 37 HB3 -0.0052 -0.0006 0.0058 13951 HIS 37 HD2 -0.0055 -0.0007 0.0070 13952 HIS 37 HE1 -0.0064 -0.0022 0.0062 13953 HIS 37 HE2 -0.0062 -0.0017 0.0070 13954 HIS 38 N -0.0047 -0.0000 0.0050 13955 HIS 38 CA -0.0044 0.0004 0.0047 13956 HIS 38 C -0.0044 0.0004 0.0050 13957 HIS 38 O -0.0047 0.0000 0.0052 13958 HIS 38 CB -0.0043 0.0003 0.0040 13959 HIS 38 CG -0.0043 0.0003 0.0037 13960 HIS 38 ND1 -0.0040 0.0007 0.0037 13961 HIS 38 CD2 -0.0045 -0.0001 0.0035 13962 HIS 38 CE1 -0.0040 0.0006 0.0034 13963 HIS 38 NE2 -0.0044 0.0001 0.0033 13964 HIS 38 H -0.0049 -0.0003 0.0051 13965 HIS 38 HA -0.0042 0.0007 0.0049 13966 HIS 38 HB2 -0.0045 -0.0001 0.0039 13967 HIS 38 HB3 -0.0041 0.0006 0.0039 13968 HIS 38 HD2 -0.0048 -0.0005 0.0034 13969 HIS 38 HE1 -0.0039 0.0008 0.0033 13970 HIS 38 HE2 -0.0045 -0.0001 0.0032 13971 MET 39 N -0.0041 0.0008 0.0049 13972 MET 39 CA -0.0041 0.0008 0.0051 13973 MET 39 C -0.0038 0.0012 0.0047 13974 MET 39 O -0.0036 0.0015 0.0045 13975 MET 39 CB -0.0041 0.0010 0.0057 13976 MET 39 CG -0.0044 0.0007 0.0062 13977 MET 39 SD -0.0043 0.0009 0.0069 13978 MET 39 CE -0.0043 0.0010 0.0071 13979 MET 39 H -0.0039 0.0010 0.0046 13980 MET 39 HA -0.0044 0.0004 0.0051 13981 MET 39 HB2 -0.0040 0.0011 0.0059 13982 MET 39 HB3 -0.0039 0.0014 0.0058 13983 MET 39 HG2 -0.0045 0.0005 0.0061 13984 MET 39 HG3 -0.0046 0.0003 0.0061 13985 MET 39 HE1 -0.0041 0.0012 0.0068 13986 MET 39 HE2 -0.0046 0.0006 0.0070 13987 MET 39 HE3 -0.0043 0.0011 0.0076 13988 VAL 40 N -0.0039 0.0010 0.0046 13989 VAL 40 CA -0.0037 0.0013 0.0042 13990 VAL 40 C -0.0034 0.0018 0.0046 13991 VAL 40 O -0.0035 0.0017 0.0050 13992 VAL 40 CB -0.0038 0.0010 0.0040 13993 VAL 40 CG1 -0.0041 0.0007 0.0044 13994 VAL 40 CG2 -0.0036 0.0014 0.0037 13995 VAL 40 H -0.0042 0.0007 0.0047 13996 VAL 40 HA -0.0035 0.0014 0.0039 13997 VAL 40 HB -0.0039 0.0008 0.0036 13998 VAL 40 HG11 -0.0040 0.0009 0.0046 13999 VAL 40 HG12 -0.0042 0.0006 0.0048 14000 VAL 40 HG13 -0.0043 0.0003 0.0042 14001 VAL 40 HG21 -0.0033 0.0017 0.0035 14002 VAL 40 HG22 -0.0035 0.0015 0.0041 14003 VAL 40 HG23 -0.0036 0.0011 0.0034 14004 TRP 41 N -0.0031 0.0022 0.0045 14005 TRP 41 CA -0.0029 0.0026 0.0049 14006 TRP 41 C -0.0027 0.0029 0.0048 14007 TRP 41 O -0.0026 0.0031 0.0052 14008 TRP 41 CB -0.0026 0.0030 0.0048 14009 TRP 41 CG -0.0024 0.0033 0.0053 14010 TRP 41 CD1 -0.0021 0.0038 0.0053 14011 TRP 41 CD2 -0.0026 0.0032 0.0059 14012 TRP 41 NE1 -0.0020 0.0040 0.0059 14013 TRP 41 CE2 -0.0024 0.0036 0.0062 14014 TRP 41 CE3 -0.0030 0.0027 0.0061 14015 TRP 41 CZ2 -0.0025 0.0036 0.0068 14016 TRP 41 CZ3 -0.0031 0.0027 0.0067 14017 TRP 41 CH2 -0.0028 0.0032 0.0071 14018 TRP 41 H -0.0031 0.0022 0.0042 14019 TRP 41 HA -0.0030 0.0026 0.0054 14020 TRP 41 HB2 -0.0027 0.0028 0.0046 14021 TRP 41 HB3 -0.0024 0.0032 0.0044 14022 TRP 41 HD1 -0.0019 0.0041 0.0049 14023 TRP 41 HE1 -0.0018 0.0044 0.0060 14024 TRP 41 HE3 -0.0032 0.0024 0.0059 14025 TRP 41 HZ2 -0.0023 0.0040 0.0071 14026 TRP 41 HZ3 -0.0033 0.0024 0.0069 14027 TRP 41 HH2 -0.0029 0.0032 0.0075 14028 HIS 42 N -0.0026 0.0028 0.0042 14029 HIS 42 CA -0.0024 0.0030 0.0040 14030 HIS 42 C -0.0025 0.0028 0.0034 14031 HIS 42 O -0.0025 0.0027 0.0030 14032 HIS 42 CB -0.0020 0.0036 0.0039 14033 HIS 42 CG -0.0019 0.0039 0.0041 14034 HIS 42 ND1 -0.0017 0.0043 0.0045 14035 HIS 42 CD2 -0.0018 0.0039 0.0038 14036 HIS 42 CE1 -0.0015 0.0045 0.0045 14037 HIS 42 NE2 -0.0016 0.0043 0.0041 14038 HIS 42 H -0.0027 0.0027 0.0039 14039 HIS 42 HA -0.0025 0.0030 0.0043 14040 HIS 42 HB2 -0.0020 0.0037 0.0042 14041 HIS 42 HB3 -0.0019 0.0036 0.0035 14042 HIS 42 HD2 -0.0019 0.0037 0.0034 14043 HIS 42 HE1 -0.0014 0.0048 0.0048 14044 HIS 42 HE2 -0.0016 0.0043 0.0040 14045 VAL 43 N -0.0017 0.0040 0.0029 14046 VAL 43 CA -0.0011 0.0036 0.0023 14047 VAL 43 C -0.0004 0.0043 0.0020 14048 VAL 43 O -0.0004 0.0051 0.0023 14049 VAL 43 CB -0.0014 0.0031 0.0024 14050 VAL 43 CG1 -0.0018 0.0037 0.0029 14051 VAL 43 CG2 -0.0007 0.0028 0.0018 14052 VAL 43 H -0.0019 0.0045 0.0032 14053 VAL 43 HA -0.0010 0.0031 0.0021 14054 VAL 43 HB -0.0018 0.0025 0.0025 14055 VAL 43 HG11 -0.0024 0.0038 0.0033 14056 VAL 43 HG12 -0.0020 0.0034 0.0029 14057 VAL 43 HG13 -0.0014 0.0044 0.0028 14058 VAL 43 HG21 -0.0005 0.0022 0.0015 14059 VAL 43 HG22 -0.0003 0.0033 0.0017 14060 VAL 43 HG23 -0.0010 0.0025 0.0019 14061 GLU 44 N 0.0003 0.0041 0.0015 14062 GLU 44 CA 0.0011 0.0047 0.0011 14063 GLU 44 C 0.0013 0.0049 0.0010 14064 GLU 44 O 0.0015 0.0042 0.0007 14065 GLU 44 CB 0.0017 0.0043 0.0005 14066 GLU 44 CG 0.0020 0.0047 0.0005 14067 GLU 44 CD 0.0024 0.0042 -0.0000 14068 GLU 44 OE1 0.0028 0.0037 -0.0005 14069 GLU 44 OE2 0.0023 0.0042 0.0001 14070 GLU 44 H 0.0003 0.0035 0.0013 14071 GLU 44 HA 0.0010 0.0054 0.0014 14072 GLU 44 HB2 0.0015 0.0035 0.0005 14073 GLU 44 HB3 0.0022 0.0043 0.0002 14074 GLU 44 HG2 0.0024 0.0054 0.0004 14075 GLU 44 HG3 0.0014 0.0049 0.0009 14076 ASP 45 N 0.0014 0.0058 0.0012 14077 ASP 45 CA 0.0016 0.0060 0.0012 14078 ASP 45 C 0.0025 0.0063 0.0006 14079 ASP 45 O 0.0028 0.0069 0.0005 14080 ASP 45 CB 0.0012 0.0069 0.0017 14081 ASP 45 CG 0.0016 0.0078 0.0017 14082 ASP 45 OD1 0.0014 0.0077 0.0018 14083 ASP 45 OD2 0.0019 0.0085 0.0017 14084 ASP 45 H 0.0012 0.0062 0.0015 14085 ASP 45 HA 0.0013 0.0055 0.0012 14086 ASP 45 HB2 0.0014 0.0071 0.0017 14087 ASP 45 HB3 0.0006 0.0068 0.0021 14088 GLY 46 N 0.0029 0.0057 0.0001 14089 GLY 46 CA 0.0038 0.0058 -0.0005 14090 GLY 46 C 0.0041 0.0050 -0.0010 14091 GLY 46 O 0.0048 0.0049 -0.0015 14092 GLY 46 H 0.0026 0.0051 0.0002 14093 GLY 46 HA2 0.0040 0.0064 -0.0004 14094 GLY 46 HA3 0.0040 0.0060 -0.0006 14095 GLY 47 N 0.0036 0.0043 -0.0008 14096 GLY 47 CA 0.0039 0.0035 -0.0013 14097 GLY 47 C 0.0033 0.0026 -0.0011 14098 GLY 47 O 0.0031 0.0022 -0.0011 14099 GLY 47 H 0.0030 0.0043 -0.0004 14100 GLY 47 HA2 0.0041 0.0037 -0.0014 14101 GLY 47 HA3 0.0044 0.0033 -0.0017 14102 PRO 48 N 0.0029 0.0022 -0.0010 14103 PRO 48 CA 0.0023 0.0013 -0.0008 14104 PRO 48 C 0.0015 0.0013 -0.0003 14105 PRO 48 O 0.0016 0.0016 -0.0002 14106 PRO 48 CB 0.0021 0.0012 -0.0008 14107 PRO 48 CG 0.0028 0.0017 -0.0011 14108 PRO 48 CD 0.0031 0.0026 -0.0010 14109 PRO 48 HA 0.0026 0.0007 -0.0012 14110 PRO 48 HB2 0.0016 0.0014 -0.0003 14111 PRO 48 HB3 0.0020 0.0004 -0.0009 14112 PRO 48 HG2 0.0027 0.0019 -0.0009 14113 PRO 48 HG3 0.0033 0.0013 -0.0016 14114 PRO 48 HD2 0.0027 0.0031 -0.0006 14115 PRO 48 HD3 0.0037 0.0028 -0.0013 14116 ALA 49 N 0.0011 0.0009 0.0002 14117 ALA 49 CA 0.0004 0.0008 0.0007 14118 ALA 49 C 0.0002 0.0015 0.0009 14119 ALA 49 O -0.0001 0.0014 0.0011 14120 ALA 49 CB -0.0002 0.0005 0.0011 14121 ALA 49 H 0.0011 0.0007 0.0002 14122 ALA 49 HA 0.0004 0.0002 0.0006 14123 ALA 49 HB1 -0.0006 -0.0000 0.0012 14124 ALA 49 HB2 -0.0005 0.0011 0.0014 14125 ALA 49 HB3 -0.0000 0.0004 0.0009 14126 SER 50 N 0.0004 0.0023 0.0009 14127 SER 50 CA 0.0003 0.0031 0.0011 14128 SER 50 C 0.0007 0.0031 0.0009 14129 SER 50 O 0.0003 0.0031 0.0011 14130 SER 50 CB 0.0005 0.0039 0.0011 14131 SER 50 OG -0.0001 0.0043 0.0016 14132 SER 50 H 0.0007 0.0024 0.0007 14133 SER 50 HA -0.0003 0.0031 0.0015 14134 SER 50 HB2 0.0009 0.0038 0.0008 14135 SER 50 HB3 0.0008 0.0044 0.0010 14136 SER 50 HG -0.0005 0.0042 0.0018 14137 GLU 51 N 0.0014 0.0031 0.0004 14138 GLU 51 CA 0.0018 0.0031 0.0001 14139 GLU 51 C 0.0016 0.0023 0.0001 14140 GLU 51 O 0.0016 0.0023 0.0001 14141 GLU 51 CB 0.0026 0.0032 -0.0004 14142 GLU 51 CG 0.0028 0.0040 -0.0005 14143 GLU 51 CD 0.0034 0.0046 -0.0008 14144 GLU 51 OE1 0.0033 0.0051 -0.0006 14145 GLU 51 OE2 0.0040 0.0045 -0.0013 14146 GLU 51 H 0.0016 0.0031 0.0002 14147 GLU 51 HA 0.0016 0.0037 0.0003 14148 GLU 51 HB2 0.0027 0.0026 -0.0006 14149 GLU 51 HB3 0.0029 0.0033 -0.0006 14150 GLU 51 HG2 0.0023 0.0044 -0.0001 14151 GLU 51 HG3 0.0030 0.0038 -0.0006 14152 ALA 52 N 0.0014 0.0016 0.0001 14153 ALA 52 CA 0.0012 0.0008 0.0001 14154 ALA 52 C 0.0005 0.0008 0.0006 14155 ALA 52 O 0.0004 0.0003 0.0006 14156 ALA 52 CB 0.0010 0.0001 0.0001 14157 ALA 52 H 0.0014 0.0016 0.0001 14158 ALA 52 HA 0.0016 0.0006 -0.0002 14159 ALA 52 HB1 0.0015 0.0000 -0.0002 14160 ALA 52 HB2 0.0009 -0.0005 0.0001 14161 ALA 52 HB3 0.0006 0.0002 0.0005 14162 GLY 53 N 0.0001 0.0014 0.0010 14163 GLY 53 CA -0.0006 0.0015 0.0015 14164 GLY 53 C -0.0013 0.0015 0.0019 14165 GLY 53 O -0.0018 0.0017 0.0024 14166 GLY 53 H 0.0002 0.0018 0.0010 14167 GLY 53 HA2 -0.0005 0.0021 0.0015 14168 GLY 53 HA3 -0.0007 0.0010 0.0014 14169 LEU 54 N -0.0012 0.0013 0.0019 14170 LEU 54 CA -0.0018 0.0012 0.0023 14171 LEU 54 C -0.0020 0.0021 0.0026 14172 LEU 54 O -0.0016 0.0027 0.0024 14173 LEU 54 CB -0.0016 0.0008 0.0021 14174 LEU 54 CG -0.0023 0.0005 0.0025 14175 LEU 54 CD1 -0.0020 -0.0001 0.0022 14176 LEU 54 CD2 -0.0026 0.0012 0.0028 14177 LEU 54 H -0.0007 0.0011 0.0015 14178 LEU 54 HA -0.0023 0.0008 0.0025 14179 LEU 54 HB2 -0.0013 0.0003 0.0018 14180 LEU 54 HB3 -0.0013 0.0013 0.0019 14181 LEU 54 HG -0.0027 0.0001 0.0027 14182 LEU 54 HD11 -0.0018 -0.0006 0.0020 14183 LEU 54 HD12 -0.0025 -0.0003 0.0025 14184 LEU 54 HD13 -0.0017 0.0003 0.0020 14185 LEU 54 HD21 -0.0022 0.0017 0.0026 14186 LEU 54 HD22 -0.0030 0.0010 0.0031 14187 LEU 54 HD23 -0.0028 0.0016 0.0031 14188 ARG 55 N -0.0026 0.0012 0.0002 14189 ARG 55 CA -0.0030 0.0017 0.0002 14190 ARG 55 C -0.0035 0.0019 0.0006 14191 ARG 55 O -0.0037 0.0015 0.0011 14192 ARG 55 CB -0.0030 0.0017 0.0002 14193 ARG 55 CG -0.0031 0.0012 0.0007 14194 ARG 55 CD -0.0036 0.0014 0.0011 14195 ARG 55 NE -0.0038 0.0018 0.0010 14196 ARG 55 CZ -0.0041 0.0020 0.0013 14197 ARG 55 NH1 -0.0044 0.0017 0.0018 14198 ARG 55 NH2 -0.0043 0.0024 0.0011 14199 ARG 55 H -0.0025 0.0008 0.0004 14200 ARG 55 HA -0.0029 0.0020 -0.0002 14201 ARG 55 HB2 -0.0033 0.0021 0.0002 14202 ARG 55 HB3 -0.0027 0.0017 -0.0002 14203 ARG 55 HG2 -0.0028 0.0010 0.0005 14204 ARG 55 HG3 -0.0030 0.0009 0.0008 14205 ARG 55 HD2 -0.0036 0.0010 0.0015 14206 ARG 55 HD3 -0.0038 0.0016 0.0012 14207 ARG 55 HE -0.0036 0.0021 0.0006 14208 ARG 55 HH11 -0.0043 0.0013 0.0020 14209 ARG 55 HH12 -0.0046 0.0017 0.0021 14210 ARG 55 HH21 -0.0041 0.0026 0.0007 14211 ARG 55 HH22 -0.0045 0.0024 0.0014 14212 GLN 56 N -0.0037 0.0024 0.0005 14213 GLN 56 CA -0.0042 0.0026 0.0009 14214 GLN 56 C -0.0046 0.0025 0.0013 14215 GLN 56 O -0.0046 0.0027 0.0012 14216 GLN 56 CB -0.0044 0.0032 0.0006 14217 GLN 56 CG -0.0049 0.0034 0.0010 14218 GLN 56 CD -0.0050 0.0039 0.0007 14219 GLN 56 OE1 -0.0047 0.0040 0.0003 14220 GLN 56 NE2 -0.0055 0.0043 0.0009 14221 GLN 56 H -0.0036 0.0026 0.0001 14222 GLN 56 HA -0.0042 0.0023 0.0011 14223 GLN 56 HB2 -0.0042 0.0032 0.0003 14224 GLN 56 HB3 -0.0045 0.0035 0.0005 14225 GLN 56 HG2 -0.0052 0.0035 0.0013 14226 GLN 56 HG3 -0.0049 0.0031 0.0013 14227 GLN 56 HE21 -0.0057 0.0043 0.0013 14228 GLN 56 HE22 -0.0056 0.0047 0.0007 14229 GLY 57 N -0.0049 0.0023 0.0019 14230 GLY 57 CA -0.0052 0.0023 0.0023 14231 GLY 57 C -0.0050 0.0018 0.0025 14232 GLY 57 O -0.0050 0.0018 0.0025 14233 GLY 57 H -0.0049 0.0022 0.0020 14234 GLY 57 HA2 -0.0055 0.0023 0.0027 14235 GLY 57 HA3 -0.0054 0.0027 0.0022 14236 ASP 58 N -0.0047 0.0013 0.0026 14237 ASP 58 CA -0.0044 0.0007 0.0027 14238 ASP 58 C -0.0046 0.0003 0.0033 14239 ASP 58 O -0.0047 0.0003 0.0033 14240 ASP 58 CB -0.0039 0.0005 0.0023 14241 ASP 58 CG -0.0036 0.0001 0.0023 14242 ASP 58 OD1 -0.0038 -0.0002 0.0028 14243 ASP 58 OD2 -0.0032 0.0000 0.0019 14244 ASP 58 H -0.0047 0.0013 0.0025 14245 ASP 58 HA -0.0046 0.0007 0.0028 14246 ASP 58 HB2 -0.0038 0.0008 0.0019 14247 ASP 58 HB3 -0.0037 0.0002 0.0023 14248 LEU 59 N -0.0046 -0.0001 0.0036 14249 LEU 59 CA -0.0047 -0.0006 0.0041 14250 LEU 59 C -0.0042 -0.0011 0.0040 14251 LEU 59 O -0.0039 -0.0014 0.0038 14252 LEU 59 CB -0.0050 -0.0007 0.0046 14253 LEU 59 CG -0.0050 -0.0012 0.0051 14254 LEU 59 CD1 -0.0054 -0.0011 0.0054 14255 LEU 59 CD2 -0.0052 -0.0014 0.0054 14256 LEU 59 H -0.0045 -0.0001 0.0035 14257 LEU 59 HA -0.0049 -0.0004 0.0042 14258 LEU 59 HB2 -0.0053 -0.0003 0.0047 14259 LEU 59 HB3 -0.0048 -0.0008 0.0044 14260 LEU 59 HG -0.0046 -0.0016 0.0050 14261 LEU 59 HD11 -0.0053 -0.0010 0.0052 14262 LEU 59 HD12 -0.0054 -0.0015 0.0058 14263 LEU 59 HD13 -0.0057 -0.0008 0.0056 14264 LEU 59 HD21 -0.0055 -0.0011 0.0055 14265 LEU 59 HD22 -0.0052 -0.0018 0.0058 14266 LEU 59 HD23 -0.0049 -0.0016 0.0052 14267 ILE 60 N -0.0042 -0.0013 0.0042 14268 ILE 60 CA -0.0038 -0.0018 0.0041 14269 ILE 60 C -0.0038 -0.0023 0.0046 14270 ILE 60 O -0.0042 -0.0024 0.0050 14271 ILE 60 CB -0.0037 -0.0018 0.0040 14272 ILE 60 CG1 -0.0037 -0.0013 0.0035 14273 ILE 60 CG2 -0.0033 -0.0024 0.0040 14274 ILE 60 CD1 -0.0041 -0.0007 0.0035 14275 ILE 60 H -0.0045 -0.0011 0.0043 14276 ILE 60 HA -0.0035 -0.0018 0.0037 14277 ILE 60 HB -0.0041 -0.0017 0.0044 14278 ILE 60 HG12 -0.0035 -0.0014 0.0034 14279 ILE 60 HG13 -0.0034 -0.0013 0.0032 14280 ILE 60 HG21 -0.0033 -0.0023 0.0040 14281 ILE 60 HG22 -0.0030 -0.0025 0.0037 14282 ILE 60 HG23 -0.0034 -0.0027 0.0044 14283 ILE 60 HD11 -0.0044 -0.0007 0.0039 14284 ILE 60 HD12 -0.0042 -0.0005 0.0035 14285 ILE 60 HD13 -0.0040 -0.0004 0.0032 14286 THR 61 N -0.0036 -0.0025 0.0040 14287 THR 61 CA -0.0038 -0.0031 0.0043 14288 THR 61 C -0.0037 -0.0035 0.0039 14289 THR 61 O -0.0038 -0.0037 0.0041 14290 THR 61 CB -0.0039 -0.0034 0.0044 14291 THR 61 OG1 -0.0037 -0.0036 0.0039 14292 THR 61 CG2 -0.0040 -0.0030 0.0048 14293 THR 61 H -0.0035 -0.0025 0.0038 14294 THR 61 HA -0.0040 -0.0030 0.0047 14295 THR 61 HB -0.0040 -0.0038 0.0047 14296 THR 61 HG1 -0.0037 -0.0040 0.0038 14297 THR 61 HG21 -0.0039 -0.0027 0.0046 14298 THR 61 HG22 -0.0042 -0.0029 0.0052 14299 THR 61 HG23 -0.0041 -0.0033 0.0049 14300 HIS 62 N -0.0035 -0.0035 0.0034 14301 HIS 62 CA -0.0033 -0.0039 0.0030 14302 HIS 62 C -0.0030 -0.0036 0.0025 14303 HIS 62 O -0.0029 -0.0032 0.0023 14304 HIS 62 CB -0.0033 -0.0045 0.0029 14305 HIS 62 CG -0.0036 -0.0049 0.0034 14306 HIS 62 ND1 -0.0037 -0.0048 0.0037 14307 HIS 62 CD2 -0.0037 -0.0053 0.0036 14308 HIS 62 CE1 -0.0039 -0.0052 0.0041 14309 HIS 62 NE2 -0.0039 -0.0055 0.0040 14310 HIS 62 H -0.0034 -0.0033 0.0033 14311 HIS 62 HA -0.0034 -0.0040 0.0032 14312 HIS 62 HB2 -0.0032 -0.0044 0.0027 14313 HIS 62 HB3 -0.0032 -0.0047 0.0026 14314 HIS 62 HD2 -0.0036 -0.0054 0.0034 14315 HIS 62 HE1 -0.0041 -0.0053 0.0044 14316 HIS 62 HE2 -0.0041 -0.0058 0.0043 14317 VAL 63 N -0.0029 -0.0037 0.0021 14318 VAL 63 CA -0.0027 -0.0035 0.0016 14319 VAL 63 C -0.0025 -0.0040 0.0012 14320 VAL 63 O -0.0026 -0.0043 0.0013 14321 VAL 63 CB -0.0026 -0.0030 0.0016 14322 VAL 63 CG1 -0.0027 -0.0032 0.0019 14323 VAL 63 CG2 -0.0024 -0.0027 0.0011 14324 VAL 63 H -0.0030 -0.0040 0.0023 14325 VAL 63 HA -0.0026 -0.0033 0.0015 14326 VAL 63 HB -0.0027 -0.0026 0.0019 14327 VAL 63 HG11 -0.0029 -0.0034 0.0023 14328 VAL 63 HG12 -0.0027 -0.0028 0.0019 14329 VAL 63 HG13 -0.0027 -0.0035 0.0016 14330 VAL 63 HG21 -0.0023 -0.0024 0.0011 14331 VAL 63 HG22 -0.0023 -0.0024 0.0010 14332 VAL 63 HG23 -0.0023 -0.0031 0.0008 14333 ASN 64 N -0.0024 -0.0041 0.0008 14334 ASN 64 CA -0.0022 -0.0046 0.0004 14335 ASN 64 C -0.0024 -0.0052 0.0006 14336 ASN 64 O -0.0024 -0.0056 0.0004 14337 ASN 64 CB -0.0021 -0.0044 0.0000 14338 ASN 64 CG -0.0018 -0.0043 -0.0006 14339 ASN 64 OD1 -0.0017 -0.0041 -0.0007 14340 ASN 64 ND2 -0.0017 -0.0045 -0.0009 14341 ASN 64 H -0.0023 -0.0039 0.0007 14342 ASN 64 HA -0.0021 -0.0046 0.0001 14343 ASN 64 HB2 -0.0021 -0.0040 0.0002 14344 ASN 64 HB3 -0.0021 -0.0048 0.0001 14345 ASN 64 HD21 -0.0018 -0.0047 -0.0008 14346 ASN 64 HD22 -0.0015 -0.0045 -0.0013 14347 GLY 65 N -0.0026 -0.0053 0.0011 14348 GLY 65 CA -0.0028 -0.0058 0.0014 14349 GLY 65 C -0.0029 -0.0059 0.0017 14350 GLY 65 O -0.0030 -0.0063 0.0017 14351 GLY 65 H -0.0026 -0.0049 0.0012 14352 GLY 65 HA2 -0.0029 -0.0058 0.0016 14353 GLY 65 HA3 -0.0027 -0.0062 0.0011 14354 GLU 66 N -0.0030 -0.0054 0.0020 14355 GLU 66 CA -0.0032 -0.0054 0.0023 14356 GLU 66 C -0.0033 -0.0049 0.0028 14357 GLU 66 O -0.0032 -0.0044 0.0027 14358 GLU 66 CB -0.0030 -0.0052 0.0019 14359 GLU 66 CG -0.0030 -0.0055 0.0020 14360 GLU 66 CD -0.0030 -0.0062 0.0018 14361 GLU 66 OE1 -0.0028 -0.0063 0.0013 14362 GLU 66 OE2 -0.0032 -0.0066 0.0021 14363 GLU 66 H -0.0030 -0.0050 0.0020 14364 GLU 66 HA -0.0033 -0.0058 0.0024 14365 GLU 66 HB2 -0.0028 -0.0052 0.0015 14366 GLU 66 HB3 -0.0030 -0.0047 0.0020 14367 GLU 66 HG2 -0.0029 -0.0054 0.0017 14368 GLU 66 HG3 -0.0032 -0.0055 0.0024 14369 PRO 67 N -0.0052 -0.0036 0.0024 14370 PRO 67 CA -0.0052 -0.0033 0.0029 14371 PRO 67 C -0.0049 -0.0029 0.0028 14372 PRO 67 O -0.0048 -0.0030 0.0025 14373 PRO 67 CB -0.0056 -0.0036 0.0032 14374 PRO 67 CG -0.0057 -0.0041 0.0027 14375 PRO 67 CD -0.0055 -0.0041 0.0023 14376 PRO 67 HA -0.0052 -0.0031 0.0031 14377 PRO 67 HB2 -0.0056 -0.0035 0.0033 14378 PRO 67 HB3 -0.0058 -0.0036 0.0035 14379 PRO 67 HG2 -0.0057 -0.0042 0.0025 14380 PRO 67 HG3 -0.0061 -0.0044 0.0029 14381 PRO 67 HD2 -0.0055 -0.0043 0.0019 14382 PRO 67 HD3 -0.0057 -0.0042 0.0024 14383 VAL 68 N -0.0047 -0.0024 0.0031 14384 VAL 68 CA -0.0044 -0.0020 0.0031 14385 VAL 68 C -0.0046 -0.0020 0.0035 14386 VAL 68 O -0.0044 -0.0017 0.0035 14387 VAL 68 CB -0.0041 -0.0015 0.0032 14388 VAL 68 CG1 -0.0039 -0.0016 0.0028 14389 VAL 68 CG2 -0.0043 -0.0014 0.0038 14390 VAL 68 H -0.0048 -0.0024 0.0034 14391 VAL 68 HA -0.0042 -0.0021 0.0027 14392 VAL 68 HB -0.0039 -0.0012 0.0032 14393 VAL 68 HG11 -0.0038 -0.0013 0.0029 14394 VAL 68 HG12 -0.0042 -0.0019 0.0028 14395 VAL 68 HG13 -0.0038 -0.0016 0.0024 14396 VAL 68 HG21 -0.0045 -0.0014 0.0041 14397 VAL 68 HG22 -0.0046 -0.0017 0.0038 14398 VAL 68 HG23 -0.0041 -0.0011 0.0039 14399 HIS 69 N -0.0049 -0.0023 0.0038 14400 HIS 69 CA -0.0052 -0.0023 0.0042 14401 HIS 69 C -0.0051 -0.0024 0.0040 14402 HIS 69 O -0.0053 -0.0028 0.0038 14403 HIS 69 CB -0.0056 -0.0027 0.0044 14404 HIS 69 CG -0.0057 -0.0025 0.0048 14405 HIS 69 ND1 -0.0061 -0.0028 0.0052 14406 HIS 69 CD2 -0.0054 -0.0022 0.0048 14407 HIS 69 CE1 -0.0060 -0.0026 0.0054 14408 HIS 69 NE2 -0.0057 -0.0022 0.0052 14409 HIS 69 H -0.0051 -0.0025 0.0037 14410 HIS 69 HA -0.0051 -0.0019 0.0045 14411 HIS 69 HB2 -0.0057 -0.0030 0.0041 14412 HIS 69 HB3 -0.0058 -0.0028 0.0046 14413 HIS 69 HD2 -0.0051 -0.0020 0.0045 14414 HIS 69 HE1 -0.0063 -0.0027 0.0058 14415 HIS 69 HE2 -0.0056 -0.0020 0.0053 14416 GLY 70 N -0.0049 -0.0020 0.0040 14417 GLY 70 CA -0.0048 -0.0020 0.0038 14418 GLY 70 C -0.0044 -0.0018 0.0033 14419 GLY 70 O -0.0043 -0.0018 0.0031 14420 GLY 70 H -0.0047 -0.0016 0.0042 14421 GLY 70 HA2 -0.0048 -0.0018 0.0041 14422 GLY 70 HA3 -0.0050 -0.0024 0.0037 14423 LEU 71 N -0.0042 -0.0017 0.0031 14424 LEU 71 CA -0.0038 -0.0015 0.0027 14425 LEU 71 C -0.0035 -0.0009 0.0028 14426 LEU 71 O -0.0035 -0.0007 0.0033 14427 LEU 71 CB -0.0037 -0.0015 0.0024 14428 LEU 71 CG -0.0039 -0.0020 0.0021 14429 LEU 71 CD1 -0.0037 -0.0020 0.0018 14430 LEU 71 CD2 -0.0040 -0.0024 0.0018 14431 LEU 71 H -0.0043 -0.0017 0.0033 14432 LEU 71 HA -0.0038 -0.0017 0.0024 14433 LEU 71 HB2 -0.0037 -0.0013 0.0027 14434 LEU 71 HB3 -0.0034 -0.0013 0.0021 14435 LEU 71 HG -0.0042 -0.0022 0.0024 14436 LEU 71 HD11 -0.0035 -0.0019 0.0014 14437 LEU 71 HD12 -0.0036 -0.0018 0.0020 14438 LEU 71 HD13 -0.0039 -0.0024 0.0016 14439 LEU 71 HD21 -0.0042 -0.0024 0.0020 14440 LEU 71 HD22 -0.0037 -0.0022 0.0015 14441 LEU 71 HD23 -0.0041 -0.0027 0.0016 14442 VAL 72 N -0.0032 -0.0008 0.0025 14443 VAL 72 CA -0.0029 -0.0003 0.0026 14444 VAL 72 C -0.0026 0.0000 0.0025 14445 VAL 72 O -0.0026 -0.0002 0.0022 14446 VAL 72 CB -0.0027 -0.0002 0.0024 14447 VAL 72 CG1 -0.0024 -0.0002 0.0018 14448 VAL 72 CG2 -0.0026 0.0002 0.0027 14449 VAL 72 H -0.0032 -0.0010 0.0022 14450 VAL 72 HA -0.0030 -0.0002 0.0031 14451 VAL 72 HB -0.0030 -0.0006 0.0023 14452 VAL 72 HG11 -0.0025 -0.0004 0.0016 14453 VAL 72 HG12 -0.0023 -0.0002 0.0016 14454 VAL 72 HG13 -0.0021 0.0002 0.0018 14455 VAL 72 HG21 -0.0026 0.0001 0.0026 14456 VAL 72 HG22 -0.0028 0.0002 0.0031 14457 VAL 72 HG23 -0.0023 0.0005 0.0027 14458 HIS 73 N -0.0025 -0.0003 0.0031 14459 HIS 73 CA -0.0021 0.0002 0.0030 14460 HIS 73 C -0.0019 -0.0000 0.0023 14461 HIS 73 O -0.0018 0.0000 0.0022 14462 HIS 73 CB -0.0018 0.0007 0.0031 14463 HIS 73 CG -0.0015 0.0012 0.0032 14464 HIS 73 ND1 -0.0016 0.0016 0.0038 14465 HIS 73 CD2 -0.0012 0.0014 0.0029 14466 HIS 73 CE1 -0.0013 0.0021 0.0037 14467 HIS 73 NE2 -0.0011 0.0019 0.0032 14468 HIS 73 H -0.0026 -0.0001 0.0034 14469 HIS 73 HA -0.0023 0.0002 0.0033 14470 HIS 73 HB2 -0.0020 0.0007 0.0034 14471 HIS 73 HB3 -0.0016 0.0007 0.0027 14472 HIS 73 HD1 -0.0018 0.0016 0.0041 14473 HIS 73 HD2 -0.0011 0.0012 0.0024 14474 HIS 73 HE1 -0.0012 0.0024 0.0041 14475 THR 74 N -0.0018 -0.0002 0.0019 14476 THR 74 CA -0.0015 -0.0004 0.0013 14477 THR 74 C -0.0018 -0.0010 0.0011 14478 THR 74 O -0.0016 -0.0011 0.0006 14479 THR 74 CB -0.0013 -0.0003 0.0010 14480 THR 74 OG1 -0.0016 -0.0008 0.0010 14481 THR 74 CG2 -0.0011 0.0002 0.0012 14482 THR 74 H -0.0019 -0.0003 0.0021 14483 THR 74 HA -0.0013 -0.0001 0.0012 14484 THR 74 HB -0.0011 -0.0004 0.0005 14485 THR 74 HG1 -0.0015 -0.0007 0.0008 14486 THR 74 HG21 -0.0008 0.0006 0.0012 14487 THR 74 HG22 -0.0009 0.0002 0.0010 14488 THR 74 HG23 -0.0013 0.0003 0.0017 14489 GLU 75 N -0.0022 -0.0013 0.0014 14490 GLU 75 CA -0.0025 -0.0019 0.0012 14491 GLU 75 C -0.0025 -0.0019 0.0012 14492 GLU 75 O -0.0025 -0.0023 0.0008 14493 GLU 75 CB -0.0030 -0.0023 0.0016 14494 GLU 75 CG -0.0030 -0.0025 0.0013 14495 GLU 75 CD -0.0035 -0.0029 0.0017 14496 GLU 75 OE1 -0.0036 -0.0026 0.0022 14497 GLU 75 OE2 -0.0037 -0.0034 0.0015 14498 GLU 75 H -0.0024 -0.0012 0.0018 14499 GLU 75 HA -0.0024 -0.0021 0.0007 14500 GLU 75 HB2 -0.0031 -0.0020 0.0020 14501 GLU 75 HB3 -0.0032 -0.0026 0.0016 14502 GLU 75 HG2 -0.0029 -0.0028 0.0009 14503 GLU 75 HG3 -0.0028 -0.0022 0.0013 14504 VAL 76 N -0.0026 -0.0016 0.0017 14505 VAL 76 CA -0.0026 -0.0016 0.0017 14506 VAL 76 C -0.0021 -0.0013 0.0012 14507 VAL 76 O -0.0021 -0.0016 0.0009 14508 VAL 76 CB -0.0027 -0.0012 0.0023 14509 VAL 76 CG1 -0.0032 -0.0015 0.0028 14510 VAL 76 CG2 -0.0024 -0.0006 0.0025 14511 VAL 76 H -0.0026 -0.0013 0.0020 14512 VAL 76 HA -0.0029 -0.0020 0.0017 14513 VAL 76 HB -0.0026 -0.0011 0.0023 14514 VAL 76 HG11 -0.0033 -0.0016 0.0028 14515 VAL 76 HG12 -0.0034 -0.0019 0.0027 14516 VAL 76 HG13 -0.0033 -0.0012 0.0032 14517 VAL 76 HG21 -0.0023 -0.0006 0.0023 14518 VAL 76 HG22 -0.0026 -0.0005 0.0030 14519 VAL 76 HG23 -0.0022 -0.0003 0.0025 14520 VAL 77 N -0.0018 -0.0009 0.0012 14521 VAL 77 CA -0.0013 -0.0006 0.0007 14522 VAL 77 C -0.0013 -0.0011 0.0001 14523 VAL 77 O -0.0011 -0.0011 -0.0003 14524 VAL 77 CB -0.0010 -0.0001 0.0007 14525 VAL 77 CG1 -0.0005 0.0002 0.0002 14526 VAL 77 CG2 -0.0011 0.0003 0.0013 14527 VAL 77 H -0.0018 -0.0007 0.0015 14528 VAL 77 HA -0.0013 -0.0005 0.0008 14529 VAL 77 HB -0.0011 -0.0003 0.0006 14530 VAL 77 HG11 -0.0005 -0.0002 -0.0002 14531 VAL 77 HG12 -0.0003 0.0005 0.0003 14532 VAL 77 HG13 -0.0005 0.0003 0.0003 14533 VAL 77 HG21 -0.0013 0.0002 0.0016 14534 VAL 77 HG22 -0.0012 0.0003 0.0015 14535 VAL 77 HG23 -0.0007 0.0007 0.0013 14536 GLU 78 N -0.0014 -0.0014 -0.0000 14537 GLU 78 CA -0.0014 -0.0018 -0.0006 14538 GLU 78 C -0.0017 -0.0023 -0.0006 14539 GLU 78 O -0.0015 -0.0025 -0.0011 14540 GLU 78 CB -0.0016 -0.0021 -0.0006 14541 GLU 78 CG -0.0012 -0.0017 -0.0007 14542 GLU 78 CD -0.0014 -0.0020 -0.0009 14543 GLU 78 OE1 -0.0016 -0.0026 -0.0011 14544 GLU 78 OE2 -0.0012 -0.0018 -0.0009 14545 GLU 78 H -0.0016 -0.0013 0.0003 14546 GLU 78 HA -0.0011 -0.0016 -0.0009 14547 GLU 78 HB2 -0.0019 -0.0022 -0.0002 14548 GLU 78 HB3 -0.0017 -0.0025 -0.0009 14549 GLU 78 HG2 -0.0009 -0.0016 -0.0011 14550 GLU 78 HG3 -0.0012 -0.0014 -0.0004 14551 LEU 79 N -0.0016 -0.0035 -0.0001 14552 LEU 79 CA -0.0017 -0.0040 -0.0001 14553 LEU 79 C -0.0014 -0.0037 -0.0005 14554 LEU 79 O -0.0012 -0.0041 -0.0009 14555 LEU 79 CB -0.0022 -0.0040 0.0005 14556 LEU 79 CG -0.0026 -0.0048 0.0006 14557 LEU 79 CD1 -0.0025 -0.0052 0.0001 14558 LEU 79 CD2 -0.0028 -0.0052 0.0006 14559 LEU 79 H -0.0018 -0.0033 0.0004 14560 LEU 79 HA -0.0018 -0.0045 -0.0004 14561 LEU 79 HB2 -0.0024 -0.0038 0.0009 14562 LEU 79 HB3 -0.0022 -0.0038 0.0006 14563 LEU 79 HG -0.0029 -0.0048 0.0011 14564 LEU 79 HD11 -0.0024 -0.0050 0.0002 14565 LEU 79 HD12 -0.0027 -0.0058 0.0002 14566 LEU 79 HD13 -0.0021 -0.0053 -0.0003 14567 LEU 79 HD21 -0.0024 -0.0051 0.0002 14568 LEU 79 HD22 -0.0030 -0.0057 0.0006 14569 LEU 79 HD23 -0.0029 -0.0049 0.0010 14570 ILE 80 N -0.0012 -0.0030 -0.0003 14571 ILE 80 CA -0.0008 -0.0027 -0.0006 14572 ILE 80 C -0.0003 -0.0027 -0.0013 14573 ILE 80 O -0.0001 -0.0029 -0.0017 14574 ILE 80 CB -0.0008 -0.0019 -0.0002 14575 ILE 80 CG1 -0.0012 -0.0019 0.0004 14576 ILE 80 CG2 -0.0003 -0.0015 -0.0006 14577 ILE 80 CD1 -0.0013 -0.0013 0.0009 14578 ILE 80 H -0.0013 -0.0027 0.0000 14579 ILE 80 HA -0.0010 -0.0030 -0.0006 14580 ILE 80 HB -0.0007 -0.0016 -0.0001 14581 ILE 80 HG12 -0.0012 -0.0018 0.0004 14582 ILE 80 HG13 -0.0015 -0.0024 0.0005 14583 ILE 80 HG21 -0.0003 -0.0018 -0.0008 14584 ILE 80 HG22 0.0000 -0.0013 -0.0010 14585 ILE 80 HG23 -0.0003 -0.0010 -0.0003 14586 ILE 80 HD11 -0.0016 -0.0013 0.0014 14587 ILE 80 HD12 -0.0010 -0.0008 0.0008 14588 ILE 80 HD13 -0.0014 -0.0013 0.0010 14589 LEU 81 N -0.0002 -0.0025 -0.0014 14590 LEU 81 CA 0.0003 -0.0025 -0.0020 14591 LEU 81 C 0.0003 -0.0032 -0.0025 14592 LEU 81 O 0.0006 -0.0034 -0.0030 14593 LEU 81 CB 0.0004 -0.0022 -0.0020 14594 LEU 81 CG 0.0005 -0.0014 -0.0017 14595 LEU 81 CD1 0.0005 -0.0012 -0.0016 14596 LEU 81 CD2 0.0009 -0.0009 -0.0020 14597 LEU 81 H -0.0003 -0.0023 -0.0010 14598 LEU 81 HA 0.0006 -0.0021 -0.0022 14599 LEU 81 HB2 0.0001 -0.0025 -0.0018 14600 LEU 81 HB3 0.0008 -0.0022 -0.0025 14601 LEU 81 HG 0.0002 -0.0013 -0.0012 14602 LEU 81 HD11 0.0002 -0.0015 -0.0013 14603 LEU 81 HD12 0.0006 -0.0006 -0.0014 14604 LEU 81 HD13 0.0008 -0.0013 -0.0020 14605 LEU 81 HD21 0.0013 -0.0010 -0.0025 14606 LEU 81 HD22 0.0010 -0.0004 -0.0017 14607 LEU 81 HD23 0.0009 -0.0010 -0.0020 14608 LYS 82 N -0.0002 -0.0037 -0.0022 14609 LYS 82 CA -0.0003 -0.0045 -0.0025 14610 LYS 82 C -0.0002 -0.0048 -0.0027 14611 LYS 82 O -0.0001 -0.0052 -0.0032 14612 LYS 82 CB -0.0008 -0.0049 -0.0020 14613 LYS 82 CG -0.0009 -0.0057 -0.0023 14614 LYS 82 CD -0.0014 -0.0062 -0.0019 14615 LYS 82 CE -0.0017 -0.0060 -0.0014 14616 LYS 82 NZ -0.0022 -0.0066 -0.0010 14617 LYS 82 H -0.0004 -0.0036 -0.0017 14618 LYS 82 HA -0.0000 -0.0046 -0.0029 14619 LYS 82 HB2 -0.0008 -0.0046 -0.0018 14620 LYS 82 HB3 -0.0010 -0.0050 -0.0017 14621 LYS 82 HG2 -0.0006 -0.0059 -0.0028 14622 LYS 82 HG3 -0.0007 -0.0056 -0.0025 14623 LYS 82 HD2 -0.0015 -0.0061 -0.0017 14624 LYS 82 HD3 -0.0014 -0.0067 -0.0022 14625 LYS 82 HE2 -0.0015 -0.0060 -0.0016 14626 LYS 82 HE3 -0.0017 -0.0055 -0.0011 14627 LYS 82 HZ1 -0.0022 -0.0071 -0.0013 14628 LYS 82 HZ2 -0.0024 -0.0066 -0.0008 14629 LYS 82 HZ3 -0.0024 -0.0065 -0.0007 14630 SER 83 N -0.0004 -0.0045 -0.0023 14631 SER 83 CA -0.0004 -0.0047 -0.0025 14632 SER 83 C 0.0001 -0.0046 -0.0031 14633 SER 83 O 0.0002 -0.0051 -0.0035 14634 SER 83 CB -0.0005 -0.0043 -0.0019 14635 SER 83 OG -0.0005 -0.0045 -0.0021 14636 SER 83 H -0.0005 -0.0042 -0.0019 14637 SER 83 HA -0.0006 -0.0053 -0.0024 14638 SER 83 HB2 -0.0009 -0.0044 -0.0015 14639 SER 83 HB3 -0.0003 -0.0037 -0.0019 14640 SER 83 HG -0.0003 -0.0040 -0.0021 14641 GLY 84 N 0.0005 -0.0040 -0.0033 14642 GLY 84 CA 0.0010 -0.0039 -0.0039 14643 GLY 84 C 0.0013 -0.0032 -0.0038 14644 GLY 84 O 0.0013 -0.0026 -0.0036 14645 GLY 84 H 0.0004 -0.0037 -0.0029 14646 GLY 84 HA2 0.0012 -0.0040 -0.0042 14647 GLY 84 HA3 0.0010 -0.0043 -0.0041 14648 ASN 85 N 0.0017 -0.0034 -0.0039 14649 ASN 85 CA 0.0019 -0.0027 -0.0041 14650 ASN 85 C 0.0017 -0.0025 -0.0036 14651 ASN 85 O 0.0018 -0.0019 -0.0037 14652 ASN 85 CB 0.0024 -0.0028 -0.0048 14653 ASN 85 CG 0.0024 -0.0034 -0.0049 14654 ASN 85 OD1 0.0023 -0.0033 -0.0048 14655 ASN 85 ND2 0.0024 -0.0041 -0.0052 14656 ASN 85 H 0.0017 -0.0039 -0.0041 14657 ASN 85 HA 0.0020 -0.0023 -0.0040 14658 ASN 85 HB2 0.0026 -0.0022 -0.0049 14659 ASN 85 HB3 0.0026 -0.0029 -0.0051 14660 ASN 85 HD21 0.0025 -0.0042 -0.0053 14661 ASN 85 HD22 0.0024 -0.0046 -0.0053 14662 LYS 86 N 0.0012 -0.0029 -0.0031 14663 LYS 86 CA 0.0009 -0.0028 -0.0026 14664 LYS 86 C 0.0004 -0.0032 -0.0020 14665 LYS 86 O 0.0004 -0.0035 -0.0020 14666 LYS 86 CB 0.0010 -0.0031 -0.0029 14667 LYS 86 CG 0.0011 -0.0040 -0.0031 14668 LYS 86 CD 0.0011 -0.0043 -0.0033 14669 LYS 86 CE 0.0010 -0.0052 -0.0034 14670 LYS 86 NZ 0.0006 -0.0056 -0.0029 14671 LYS 86 H 0.0011 -0.0033 -0.0031 14672 LYS 86 HA 0.0010 -0.0022 -0.0025 14673 LYS 86 HB2 0.0008 -0.0030 -0.0025 14674 LYS 86 HB3 0.0014 -0.0028 -0.0033 14675 LYS 86 HG2 0.0014 -0.0040 -0.0036 14676 LYS 86 HG3 0.0008 -0.0043 -0.0028 14677 LYS 86 HD2 0.0008 -0.0042 -0.0028 14678 LYS 86 HD3 0.0014 -0.0040 -0.0036 14679 LYS 86 HE2 0.0011 -0.0054 -0.0036 14680 LYS 86 HE3 0.0013 -0.0053 -0.0039 14681 LYS 86 HZ1 0.0003 -0.0056 -0.0025 14682 LYS 86 HZ2 0.0005 -0.0054 -0.0027 14683 LYS 86 HZ3 0.0006 -0.0062 -0.0031 14684 VAL 87 N 0.0001 -0.0031 -0.0015 14685 VAL 87 CA -0.0004 -0.0034 -0.0009 14686 VAL 87 C -0.0007 -0.0034 -0.0004 14687 VAL 87 O -0.0006 -0.0028 -0.0004 14688 VAL 87 CB -0.0005 -0.0030 -0.0005 14689 VAL 87 CG1 -0.0005 -0.0022 -0.0003 14690 VAL 87 CG2 -0.0010 -0.0035 0.0000 14691 VAL 87 H 0.0002 -0.0028 -0.0016 14692 VAL 87 HA -0.0004 -0.0040 -0.0010 14693 VAL 87 HB -0.0003 -0.0031 -0.0009 14694 VAL 87 HG11 -0.0007 -0.0022 0.0000 14695 VAL 87 HG12 -0.0002 -0.0019 -0.0007 14696 VAL 87 HG13 -0.0007 -0.0020 0.0000 14697 VAL 87 HG21 -0.0012 -0.0037 0.0003 14698 VAL 87 HG22 -0.0012 -0.0032 0.0004 14699 VAL 87 HG23 -0.0010 -0.0040 -0.0002 14700 ALA 88 N -0.0010 -0.0040 -0.0001 14701 ALA 88 CA -0.0013 -0.0040 0.0004 14702 ALA 88 C -0.0018 -0.0037 0.0011 14703 ALA 88 O -0.0021 -0.0042 0.0014 14704 ALA 88 CB -0.0015 -0.0049 0.0003 14705 ALA 88 H -0.0010 -0.0044 -0.0002 14706 ALA 88 HA -0.0012 -0.0037 0.0002 14707 ALA 88 HB1 -0.0012 -0.0050 -0.0001 14708 ALA 88 HB2 -0.0017 -0.0049 0.0007 14709 ALA 88 HB3 -0.0016 -0.0052 0.0004 14710 ILE 89 N -0.0017 -0.0030 0.0013 14711 ILE 89 CA -0.0021 -0.0027 0.0019 14712 ILE 89 C -0.0025 -0.0027 0.0024 14713 ILE 89 O -0.0023 -0.0024 0.0023 14714 ILE 89 CB -0.0020 -0.0018 0.0019 14715 ILE 89 CG1 -0.0024 -0.0014 0.0026 14716 ILE 89 CG2 -0.0016 -0.0013 0.0015 14717 ILE 89 CD1 -0.0023 -0.0007 0.0027 14718 ILE 89 H -0.0015 -0.0027 0.0010 14719 ILE 89 HA -0.0023 -0.0030 0.0021 14720 ILE 89 HB -0.0018 -0.0018 0.0017 14721 ILE 89 HG12 -0.0025 -0.0013 0.0028 14722 ILE 89 HG13 -0.0027 -0.0018 0.0030 14723 ILE 89 HG21 -0.0013 -0.0016 0.0010 14724 ILE 89 HG22 -0.0015 -0.0007 0.0016 14725 ILE 89 HG23 -0.0018 -0.0013 0.0018 14726 ILE 89 HD11 -0.0025 -0.0004 0.0032 14727 ILE 89 HD12 -0.0020 -0.0003 0.0023 14728 ILE 89 HD13 -0.0022 -0.0008 0.0026 14729 SER 90 N -0.0029 -0.0032 0.0029 14730 SER 90 CA -0.0032 -0.0033 0.0034 14731 SER 90 C -0.0035 -0.0027 0.0040 14732 SER 90 O -0.0038 -0.0027 0.0043 14733 SER 90 CB -0.0035 -0.0041 0.0035 14734 SER 90 OG -0.0037 -0.0044 0.0038 14735 SER 90 H -0.0029 -0.0034 0.0029 14736 SER 90 HA -0.0030 -0.0032 0.0031 14737 SER 90 HB2 -0.0033 -0.0045 0.0031 14738 SER 90 HB3 -0.0038 -0.0042 0.0039 14739 SER 90 HG -0.0039 -0.0040 0.0041 14740 THR 91 N -0.0028 -0.0003 0.0053 14741 THR 91 CA -0.0031 -0.0014 0.0035 14742 THR 91 C -0.0014 -0.0009 0.0017 14743 THR 91 O -0.0002 0.0002 0.0019 14744 THR 91 CB -0.0047 -0.0030 0.0029 14745 THR 91 OG1 -0.0045 -0.0030 0.0025 14746 THR 91 CG2 -0.0064 -0.0035 0.0046 14747 THR 91 H -0.0028 -0.0002 0.0054 14748 THR 91 HA -0.0032 -0.0014 0.0037 14749 THR 91 HB -0.0048 -0.0037 0.0015 14750 THR 91 HG1 -0.0047 -0.0038 0.0012 14751 THR 91 HG21 -0.0063 -0.0027 0.0060 14752 THR 91 HG22 -0.0065 -0.0035 0.0049 14753 THR 91 HG23 -0.0075 -0.0046 0.0042 14754 THR 92 N -0.0013 -0.0017 -0.0001 14755 THR 92 CA 0.0003 -0.0012 -0.0018 14756 THR 92 C -0.0000 -0.0023 -0.0034 14757 THR 92 O -0.0009 -0.0036 -0.0046 14758 THR 92 CB 0.0009 -0.0012 -0.0028 14759 THR 92 OG1 0.0023 -0.0010 -0.0047 14760 THR 92 CG2 -0.0006 -0.0027 -0.0033 14761 THR 92 H -0.0023 -0.0026 -0.0002 14762 THR 92 HA 0.0013 -0.0001 -0.0012 14763 THR 92 HB 0.0014 -0.0003 -0.0018 14764 THR 92 HG1 0.0020 -0.0016 -0.0055 14765 THR 92 HG21 -0.0011 -0.0036 -0.0045 14766 THR 92 HG22 -0.0017 -0.0029 -0.0019 14767 THR 92 HG23 -0.0002 -0.0026 -0.0039 14768 PRO 93 N 0.0008 -0.0017 -0.0035 14769 PRO 93 CA 0.0006 -0.0025 -0.0050 14770 PRO 93 C 0.0013 -0.0031 -0.0072 14771 PRO 93 O 0.0019 -0.0027 -0.0076 14772 PRO 93 CB 0.0019 -0.0013 -0.0047 14773 PRO 93 CG 0.0019 -0.0003 -0.0025 14774 PRO 93 CD 0.0017 -0.0002 -0.0020 14775 PRO 93 HA -0.0007 -0.0034 -0.0047 14776 PRO 93 HB2 0.0032 -0.0008 -0.0057 14777 PRO 93 HB3 0.0014 -0.0019 -0.0050 14778 PRO 93 HG2 0.0031 0.0008 -0.0023 14779 PRO 93 HG3 0.0008 -0.0007 -0.0015 14780 PRO 93 HD2 0.0030 0.0007 -0.0023 14781 PRO 93 HD3 0.0009 -0.0001 -0.0005 14782 LEU 94 N 0.0011 -0.0039 -0.0087 14783 LEU 94 CA 0.0017 -0.0045 -0.0108 14784 LEU 94 C 0.0037 -0.0033 -0.0116 14785 LEU 94 O 0.0047 -0.0020 -0.0107 14786 LEU 94 CB 0.0012 -0.0055 -0.0121 14787 LEU 94 CG 0.0004 -0.0055 -0.0109 14788 LEU 94 CD1 0.0019 -0.0041 -0.0104 14789 LEU 94 CD2 -0.0005 -0.0069 -0.0122 14790 LEU 94 H 0.0007 -0.0041 -0.0082 14791 LEU 94 HA 0.0009 -0.0052 -0.0111 14792 LEU 94 HB2 0.0024 -0.0050 -0.0132 14793 LEU 94 HB3 0.0003 -0.0066 -0.0129 14794 LEU 94 HG -0.0005 -0.0056 -0.0095 14795 LEU 94 HD11 0.0022 -0.0032 -0.0091 14796 LEU 94 HD12 0.0014 -0.0043 -0.0100 14797 LEU 94 HD13 0.0030 -0.0038 -0.0117 14798 LEU 94 HD21 -0.0014 -0.0079 -0.0127 14799 LEU 94 HD22 0.0005 -0.0068 -0.0135 14800 LEU 94 HD23 -0.0012 -0.0070 -0.0112 14801 GLU 95 N 0.0042 -0.0037 -0.0132 14802 GLU 95 CA 0.0060 -0.0026 -0.0141 14803 GLU 95 C 0.0063 -0.0035 -0.0164 14804 GLU 95 O 0.0050 -0.0048 -0.0170 14805 GLU 95 CB 0.0065 -0.0016 -0.0130 14806 GLU 95 CG 0.0058 -0.0024 -0.0133 14807 GLU 95 CD 0.0039 -0.0033 -0.0120 14808 GLU 95 OE1 0.0035 -0.0027 -0.0101 14809 GLU 95 OE2 0.0027 -0.0047 -0.0129 14810 GLU 95 H 0.0033 -0.0047 -0.0139 14811 GLU 95 HA 0.0068 -0.0019 -0.0141 14812 GLU 95 HB2 0.0079 -0.0007 -0.0134 14813 GLU 95 HB3 0.0061 -0.0012 -0.0113 14814 GLU 95 HG2 0.0058 -0.0032 -0.0149 14815 GLU 95 HG3 0.0066 -0.0016 -0.0130 14816 ASN 96 N 0.0079 -0.0027 -0.0175 14817 ASN 96 CA 0.0084 -0.0034 -0.0197 14818 ASN 96 C 0.0084 -0.0035 -0.0199 14819 ASN 96 O 0.0090 -0.0024 -0.0187 14820 ASN 96 CB 0.0102 -0.0025 -0.0209 14821 ASN 96 CG 0.0117 -0.0009 -0.0202 14822 ASN 96 OD1 0.0124 -0.0006 -0.0208 14823 ASN 96 ND2 0.0122 0.0001 -0.0188 14824 ASN 96 OXT 0.0077 -0.0046 -0.0212 14825 ASN 96 H 0.0089 -0.0016 -0.0169 14826 ASN 96 HA 0.0073 -0.0045 -0.0203 14827 ASN 96 HB2 0.0104 -0.0031 -0.0225 14828 ASN 96 HB3 0.0101 -0.0025 -0.0207 14829 ASN 96 HD21 0.0115 -0.0002 -0.0183 14830 ASN 96 HD22 0.0132 0.0012 -0.0183 14831 SER 101 N 0.0050 -0.0016 0.0062 14832 SER 101 CA 0.0037 -0.0015 0.0064 14833 SER 101 C 0.0047 -0.0020 0.0068 14834 SER 101 O 0.0059 -0.0030 0.0077 14835 SER 101 CB 0.0021 -0.0020 0.0076 14836 SER 101 OG 0.0011 -0.0014 0.0072 14837 SER 101 H1 0.0044 -0.0013 0.0060 14838 SER 101 H2 0.0057 -0.0025 0.0072 14839 SER 101 H3 0.0061 -0.0012 0.0053 14840 SER 101 HA 0.0032 -0.0006 0.0053 14841 SER 101 HB2 0.0026 -0.0029 0.0087 14842 SER 101 HB3 0.0012 -0.0020 0.0079 14843 SER 101 HG 0.0012 -0.0020 0.0078 14844 TRP 102 N 0.0042 -0.0014 0.0062 14845 TRP 102 CA 0.0050 -0.0019 0.0065 14846 TRP 102 C 0.0071 -0.0018 0.0058 14847 TRP 102 O 0.0083 -0.0027 0.0066 14848 TRP 102 CB 0.0048 -0.0031 0.0082 14849 TRP 102 CG 0.0048 -0.0034 0.0086 14850 TRP 102 CD1 0.0061 -0.0032 0.0079 14851 TRP 102 CD2 0.0035 -0.0039 0.0096 14852 TRP 102 NE1 0.0057 -0.0035 0.0085 14853 TRP 102 CE2 0.0042 -0.0040 0.0096 14854 TRP 102 CE3 0.0020 -0.0043 0.0106 14855 TRP 102 CZ2 0.0032 -0.0044 0.0105 14856 TRP 102 CZ3 0.0010 -0.0047 0.0115 14857 TRP 102 CH2 0.0017 -0.0048 0.0114 14858 TRP 102 H 0.0032 -0.0007 0.0055 14859 TRP 102 HA 0.0043 -0.0013 0.0059 14860 TRP 102 HB2 0.0034 -0.0032 0.0088 14861 TRP 102 HB3 0.0059 -0.0037 0.0087 14862 TRP 102 HD1 0.0073 -0.0028 0.0071 14863 TRP 102 HE1 0.0065 -0.0035 0.0082 14864 TRP 102 HE3 0.0014 -0.0042 0.0107 14865 TRP 102 HZ2 0.0037 -0.0045 0.0104 14866 TRP 102 HZ3 -0.0002 -0.0050 0.0123 14867 TRP 102 HH2 0.0009 -0.0052 0.0122 14868 GLU 103 N 0.0074 -0.0008 0.0044 14869 GLU 103 CA 0.0093 -0.0007 0.0036 14870 GLU 103 C 0.0100 -0.0005 0.0031 14871 GLU 103 O 0.0117 -0.0007 0.0028 14872 GLU 103 CB 0.0093 0.0004 0.0022 14873 GLU 103 CG 0.0096 0.0001 0.0025 14874 GLU 103 CD 0.0080 -0.0004 0.0036 14875 GLU 103 OE1 0.0064 0.0000 0.0036 14876 GLU 103 OE2 0.0084 -0.0011 0.0045 14877 GLU 103 H 0.0063 -0.0002 0.0039 14878 GLU 103 HA 0.0102 -0.0014 0.0043 14879 GLU 103 HB2 0.0080 0.0011 0.0017 14880 GLU 103 HB3 0.0104 0.0008 0.0013 14881 GLU 103 HG2 0.0097 0.0009 0.0014 14882 GLU 103 HG3 0.0109 -0.0005 0.0029 14883 SER 104 N 0.0088 -0.0001 0.0030 14884 SER 104 CA 0.0093 0.0001 0.0026 14885 SER 104 C 0.0077 0.0003 0.0028 14886 SER 104 O 0.0061 0.0004 0.0032 14887 SER 104 CB 0.0102 0.0012 0.0009 14888 SER 104 OG 0.0090 0.0022 -0.0001 14889 SER 104 H 0.0074 0.0000 0.0032 14890 SER 104 HA 0.0104 -0.0007 0.0033 14891 SER 104 HB2 0.0106 0.0013 0.0006 14892 SER 104 HB3 0.0115 0.0010 0.0008 14893 SER 104 HG 0.0096 0.0025 -0.0007 14894 HIS 105 N 0.0081 0.0004 0.0025 14895 HIS 105 CA 0.0067 0.0007 0.0027 14896 HIS 105 C 0.0065 0.0019 0.0011 14897 HIS 105 O 0.0059 0.0021 0.0009 14898 HIS 105 CB 0.0072 -0.0002 0.0037 14899 HIS 105 CG 0.0060 -0.0011 0.0052 14900 HIS 105 ND1 0.0047 -0.0011 0.0055 14901 HIS 105 CD2 0.0059 -0.0020 0.0064 14902 HIS 105 CE1 0.0039 -0.0019 0.0070 14903 HIS 105 NE2 0.0046 -0.0026 0.0075 14904 HIS 105 H 0.0094 0.0004 0.0022 14905 HIS 105 HA 0.0053 0.0006 0.0031 14906 HIS 105 HB2 0.0086 -0.0007 0.0039 14907 HIS 105 HB3 0.0071 0.0002 0.0031 14908 HIS 105 HD2 0.0067 -0.0023 0.0065 14909 HIS 105 HE1 0.0029 -0.0022 0.0076 14910 HIS 105 HE2 0.0045 -0.0033 0.0086 14911 LYS 106 N 0.0069 0.0027 -0.0001 14912 LYS 106 CA 0.0069 0.0039 -0.0017 14913 LYS 106 C 0.0049 0.0046 -0.0021 14914 LYS 106 O 0.0046 0.0057 -0.0034 14915 LYS 106 CB 0.0081 0.0044 -0.0027 14916 LYS 106 CG 0.0101 0.0037 -0.0025 14917 LYS 106 CD 0.0112 0.0042 -0.0035 14918 LYS 106 CE 0.0114 0.0055 -0.0052 14919 LYS 106 NZ 0.0128 0.0058 -0.0061 14920 LYS 106 H 0.0073 0.0024 0.0001 14921 LYS 106 HA 0.0075 0.0038 -0.0018 14922 LYS 106 HB2 0.0075 0.0044 -0.0025 14923 LYS 106 HB3 0.0080 0.0053 -0.0039 14924 LYS 106 HG2 0.0107 0.0039 -0.0028 14925 LYS 106 HG3 0.0102 0.0028 -0.0013 14926 LYS 106 HD2 0.0126 0.0036 -0.0031 14927 LYS 106 HD3 0.0105 0.0042 -0.0033 14928 LYS 106 HE2 0.0100 0.0061 -0.0056 14929 LYS 106 HE3 0.0118 0.0055 -0.0053 14930 LYS 106 HZ1 0.0124 0.0058 -0.0059 14931 LYS 106 HZ2 0.0141 0.0053 -0.0057 14932 LYS 106 HZ3 0.0129 0.0067 -0.0072 14933 SER 107 N 0.0002 0.0021 0.0032 14934 SER 107 CA -0.0001 0.0019 0.0029 14935 SER 107 C -0.0000 0.0020 0.0026 14936 SER 107 O -0.0002 0.0019 0.0023 14937 SER 107 CB -0.0004 0.0017 0.0032 14938 SER 107 OG -0.0004 0.0016 0.0035 14939 SER 107 H 0.0003 0.0022 0.0034 14940 SER 107 HA -0.0002 0.0019 0.0028 14941 SER 107 HB2 -0.0003 0.0017 0.0032 14942 SER 107 HB3 -0.0006 0.0015 0.0030 14943 SER 107 HG -0.0006 0.0014 0.0036 14944 GLY 108 N 0.0003 0.0023 0.0026 14945 GLY 108 CA 0.0004 0.0025 0.0023 14946 GLY 108 C 0.0007 0.0027 0.0024 14947 GLY 108 O 0.0008 0.0027 0.0028 14948 GLY 108 H 0.0004 0.0024 0.0028 14949 GLY 108 HA2 0.0004 0.0026 0.0020 14950 GLY 108 HA3 0.0002 0.0023 0.0022 14951 GLY 109 N 0.0007 0.0027 0.0022 14952 GLY 109 CA 0.0010 0.0029 0.0024 14953 GLY 109 C 0.0008 0.0028 0.0025 14954 GLY 109 O 0.0008 0.0027 0.0029 14955 GLY 109 H 0.0006 0.0027 0.0020 14956 GLY 109 HA2 0.0011 0.0030 0.0027 14957 GLY 109 HA3 0.0011 0.0031 0.0022 14958 GLU 110 N 0.0008 0.0028 0.0022 14959 GLU 110 CA 0.0007 0.0027 0.0023 14960 GLU 110 C 0.0006 0.0027 0.0019 14961 GLU 110 O 0.0007 0.0029 0.0017 14962 GLU 110 CB 0.0010 0.0029 0.0025 14963 GLU 110 CG 0.0009 0.0028 0.0028 14964 GLU 110 CD 0.0007 0.0026 0.0026 14965 GLU 110 OE1 0.0009 0.0028 0.0025 14966 GLU 110 OE2 0.0004 0.0024 0.0026 14967 GLU 110 H 0.0009 0.0029 0.0020 14968 GLU 110 HA 0.0005 0.0025 0.0025 14969 GLU 110 HB2 0.0012 0.0030 0.0027 14970 GLU 110 HB3 0.0011 0.0030 0.0023 14971 GLU 110 HG2 0.0007 0.0026 0.0030 14972 GLU 110 HG3 0.0011 0.0029 0.0030 14973 THR 111 N 0.0002 0.0024 0.0018 14974 THR 111 CA 0.0001 0.0024 0.0014 14975 THR 111 C -0.0002 0.0021 0.0016 14976 THR 111 O -0.0005 0.0019 0.0015 14977 THR 111 CB -0.0001 0.0023 0.0011 14978 THR 111 OG1 0.0002 0.0025 0.0011 14979 THR 111 CG2 -0.0001 0.0023 0.0007 14980 THR 111 H 0.0001 0.0023 0.0020 14981 THR 111 HA 0.0003 0.0025 0.0013 14982 THR 111 HB -0.0003 0.0021 0.0012 14983 THR 111 HG1 0.0003 0.0026 0.0014 14984 THR 111 HG21 -0.0002 0.0023 0.0005 14985 THR 111 HG22 0.0001 0.0025 0.0006 14986 THR 111 HG23 -0.0003 0.0022 0.0007 14987 ARG 112 N -0.0001 0.0022 0.0017 14988 ARG 112 CA -0.0003 0.0020 0.0018 14989 ARG 112 C -0.0005 0.0019 0.0014 14990 ARG 112 O -0.0005 0.0020 0.0011 14991 ARG 112 CB -0.0001 0.0021 0.0020 14992 ARG 112 CG 0.0001 0.0023 0.0018 14993 ARG 112 CD 0.0004 0.0025 0.0021 14994 ARG 112 NE 0.0006 0.0027 0.0019 14995 ARG 112 CZ 0.0009 0.0030 0.0019 14996 ARG 112 NH1 0.0011 0.0031 0.0021 14997 ARG 112 NH2 0.0011 0.0032 0.0017 14998 ARG 112 H 0.0001 0.0024 0.0017 14999 ARG 112 HA -0.0005 0.0018 0.0020 15000 ARG 112 HB2 -0.0003 0.0019 0.0021 15001 ARG 112 HB3 -0.0000 0.0021 0.0023 15002 ARG 112 HG2 0.0002 0.0024 0.0016 15003 ARG 112 HG3 0.0000 0.0023 0.0016 15004 ARG 112 HD2 0.0003 0.0024 0.0023 15005 ARG 112 HD3 0.0005 0.0026 0.0023 15006 ARG 112 HE 0.0005 0.0027 0.0018 15007 ARG 112 HH11 0.0009 0.0029 0.0022 15008 ARG 112 HH12 0.0013 0.0033 0.0021 15009 ARG 112 HH21 0.0010 0.0031 0.0016 15010 ARG 112 HH22 0.0014 0.0034 0.0017 15011 LEU 113 N -0.0003 0.0013 0.0010 15012 LEU 113 CA -0.0002 0.0009 0.0005 15013 LEU 113 C 0.0003 0.0013 0.0001 15014 LEU 113 O 0.0003 0.0012 0.0000 15015 LEU 113 CB -0.0005 0.0004 0.0006 15016 LEU 113 CG -0.0009 -0.0002 0.0007 15017 LEU 113 CD1 -0.0007 -0.0005 0.0002 15018 LEU 113 CD2 -0.0012 -0.0000 0.0012 15019 LEU 113 OXT 0.0006 0.0016 -0.0000 15020 LEU 113 H -0.0005 0.0014 0.0013 15021 LEU 113 HA -0.0001 0.0006 0.0002 15022 LEU 113 HB2 -0.0006 0.0007 0.0010 15023 LEU 113 HB3 -0.0003 0.0003 0.0002 15024 LEU 113 HG -0.0011 -0.0005 0.0008 15025 LEU 113 HD11 -0.0005 -0.0007 -0.0002 15026 LEU 113 HD12 -0.0010 -0.0009 0.0003 15027 LEU 113 HD13 -0.0005 -0.0002 0.0001 15028 LEU 113 HD21 -0.0013 0.0003 0.0016 15029 LEU 113 HD22 -0.0010 0.0002 0.0011 15030 LEU 113 HD23 -0.0015 -0.0005 0.0013 15031 GLY 1 N 0.0059 0.0005 -0.0217 15032 GLY 1 CA 0.0044 -0.0001 -0.0193 15033 GLY 1 C 0.0063 0.0008 -0.0184 15034 GLY 1 O 0.0071 0.0011 -0.0206 15035 GLY 1 H1 0.0045 -0.0001 -0.0225 15036 GLY 1 H2 0.0078 0.0015 -0.0207 15037 GLY 1 H3 0.0066 0.0008 -0.0238 15038 GLY 1 HA2 0.0023 -0.0011 -0.0203 15039 GLY 1 HA3 0.0040 -0.0002 -0.0170 15040 GLY 2 N 0.0069 0.0012 -0.0152 15041 GLY 2 CA 0.0087 0.0020 -0.0142 15042 GLY 2 C 0.0097 0.0026 -0.0106 15043 GLY 2 O 0.0093 0.0024 -0.0091 15044 GLY 2 H 0.0062 0.0009 -0.0136 15045 GLY 2 HA2 0.0107 0.0029 -0.0158 15046 GLY 2 HA3 0.0074 0.0014 -0.0144 15047 SER 3 N 0.0110 0.0032 -0.0093 15048 SER 3 CA 0.0120 0.0038 -0.0058 15049 SER 3 C 0.0116 0.0036 -0.0043 15050 SER 3 O 0.0115 0.0035 -0.0061 15051 SER 3 CB 0.0153 0.0053 -0.0057 15052 SER 3 OG 0.0156 0.0054 -0.0070 15053 SER 3 H 0.0112 0.0033 -0.0106 15054 SER 3 HA 0.0106 0.0031 -0.0045 15055 SER 3 HB2 0.0167 0.0059 -0.0071 15056 SER 3 HB3 0.0160 0.0057 -0.0031 15057 SER 3 HG 0.0137 0.0045 -0.0079 15058 MET 4 N 0.0115 0.0037 -0.0010 15059 MET 4 CA 0.0112 0.0035 0.0008 15060 MET 4 C 0.0082 0.0021 0.0000 15061 MET 4 O 0.0080 0.0020 -0.0020 15062 MET 4 CB 0.0138 0.0048 0.0001 15063 MET 4 CG 0.0167 0.0062 0.0018 15064 MET 4 SD 0.0199 0.0076 0.0003 15065 MET 4 CE 0.0186 0.0070 0.0011 15066 MET 4 H 0.0116 0.0037 0.0003 15067 MET 4 HA 0.0112 0.0036 0.0034 15068 MET 4 HB2 0.0142 0.0049 -0.0026 15069 MET 4 HB3 0.0132 0.0045 0.0009 15070 MET 4 HG2 0.0164 0.0061 0.0044 15071 MET 4 HG3 0.0171 0.0064 0.0013 15072 MET 4 HE1 0.0165 0.0060 -0.0003 15073 MET 4 HE2 0.0203 0.0078 0.0003 15074 MET 4 HE3 0.0181 0.0069 0.0037 15075 ARG 5 N 0.0058 0.0010 0.0016 15076 ARG 5 CA 0.0028 -0.0004 0.0011 15077 ARG 5 C 0.0025 -0.0005 0.0028 15078 ARG 5 O 0.0037 0.0001 0.0055 15079 ARG 5 CB 0.0004 -0.0015 0.0024 15080 ARG 5 CG 0.0000 -0.0017 0.0003 15081 ARG 5 CD 0.0024 -0.0006 0.0012 15082 ARG 5 NE 0.0018 -0.0009 -0.0005 15083 ARG 5 CZ 0.0032 -0.0002 0.0002 15084 ARG 5 NH1 0.0053 0.0008 0.0025 15085 ARG 5 NH2 0.0024 -0.0006 -0.0015 15086 ARG 5 H 0.0060 0.0012 0.0032 15087 ARG 5 HA 0.0025 -0.0006 -0.0016 15088 ARG 5 HB2 0.0010 -0.0011 0.0049 15089 ARG 5 HB3 -0.0018 -0.0025 0.0025 15090 ARG 5 HG2 -0.0022 -0.0027 0.0008 15091 ARG 5 HG3 0.0003 -0.0016 -0.0023 15092 ARG 5 HD2 0.0046 0.0004 0.0005 15093 ARG 5 HD3 0.0023 -0.0006 0.0038 15094 ARG 5 HE 0.0003 -0.0016 -0.0023 15095 ARG 5 HH11 0.0059 0.0011 0.0037 15096 ARG 5 HH12 0.0063 0.0013 0.0030 15097 ARG 5 HH21 0.0009 -0.0014 -0.0032 15098 ARG 5 HH22 0.0034 -0.0001 -0.0009 15099 PRO 6 N 0.0011 -0.0012 0.0012 15100 PRO 6 CA 0.0008 -0.0013 0.0026 15101 PRO 6 C -0.0020 -0.0026 0.0048 15102 PRO 6 O -0.0046 -0.0038 0.0036 15103 PRO 6 CB 0.0004 -0.0015 -0.0006 15104 PRO 6 CG 0.0004 -0.0016 -0.0035 15105 PRO 6 CD -0.0004 -0.0019 -0.0021 15106 PRO 6 HA 0.0027 -0.0003 0.0039 15107 PRO 6 HB2 -0.0017 -0.0025 -0.0004 15108 PRO 6 HB3 0.0023 -0.0007 -0.0007 15109 PRO 6 HG2 -0.0013 -0.0024 -0.0052 15110 PRO 6 HG3 0.0026 -0.0006 -0.0046 15111 PRO 6 HD2 -0.0028 -0.0030 -0.0018 15112 PRO 6 HD3 0.0006 -0.0015 -0.0036 15113 PRO 7 N -0.0027 -0.0036 0.0022 15114 PRO 7 CA -0.0023 -0.0034 0.0018 15115 PRO 7 C -0.0018 -0.0029 0.0014 15116 PRO 7 O -0.0016 -0.0031 0.0011 15117 PRO 7 CB -0.0022 -0.0041 0.0014 15118 PRO 7 CG -0.0027 -0.0046 0.0017 15119 PRO 7 CD -0.0028 -0.0043 0.0020 15120 PRO 7 HA -0.0024 -0.0031 0.0021 15121 PRO 7 HB2 -0.0019 -0.0041 0.0010 15122 PRO 7 HB3 -0.0023 -0.0041 0.0014 15123 PRO 7 HG2 -0.0026 -0.0051 0.0013 15124 PRO 7 HG3 -0.0030 -0.0048 0.0020 15125 PRO 7 HD2 -0.0026 -0.0044 0.0016 15126 PRO 7 HD3 -0.0032 -0.0045 0.0023 15127 ILE 8 N -0.0016 -0.0023 0.0015 15128 ILE 8 CA -0.0011 -0.0018 0.0012 15129 ILE 8 C -0.0007 -0.0020 0.0006 15130 ILE 8 O -0.0007 -0.0020 0.0006 15131 ILE 8 CB -0.0011 -0.0011 0.0015 15132 ILE 8 CG1 -0.0016 -0.0010 0.0021 15133 ILE 8 CG2 -0.0007 -0.0005 0.0013 15134 ILE 8 CD1 -0.0018 -0.0006 0.0025 15135 ILE 8 H -0.0018 -0.0022 0.0018 15136 ILE 8 HA -0.0011 -0.0018 0.0011 15137 ILE 8 HB -0.0010 -0.0010 0.0014 15138 ILE 8 HG12 -0.0016 -0.0007 0.0023 15139 ILE 8 HG13 -0.0019 -0.0015 0.0022 15140 ILE 8 HG21 -0.0004 -0.0007 0.0008 15141 ILE 8 HG22 -0.0006 -0.0000 0.0015 15142 ILE 8 HG23 -0.0008 -0.0005 0.0014 15143 ILE 8 HD11 -0.0015 -0.0001 0.0024 15144 ILE 8 HD12 -0.0019 -0.0010 0.0025 15145 ILE 8 HD13 -0.0021 -0.0006 0.0030 15146 ILE 9 N -0.0004 -0.0022 0.0001 15147 ILE 9 CA -0.0000 -0.0024 -0.0004 15148 ILE 9 C 0.0004 -0.0018 -0.0007 15149 ILE 9 O 0.0007 -0.0015 -0.0009 15150 ILE 9 CB 0.0001 -0.0029 -0.0009 15151 ILE 9 CG1 -0.0003 -0.0034 -0.0006 15152 ILE 9 CG2 0.0004 -0.0034 -0.0014 15153 ILE 9 CD1 -0.0007 -0.0040 -0.0004 15154 ILE 9 H -0.0005 -0.0023 0.0002 15155 ILE 9 HA -0.0002 -0.0027 -0.0004 15156 ILE 9 HB 0.0004 -0.0026 -0.0011 15157 ILE 9 HG12 -0.0005 -0.0031 -0.0002 15158 ILE 9 HG13 -0.0001 -0.0037 -0.0009 15159 ILE 9 HG21 0.0007 -0.0030 -0.0016 15160 ILE 9 HG22 0.0005 -0.0037 -0.0017 15161 ILE 9 HG23 0.0001 -0.0037 -0.0012 15162 ILE 9 HD11 -0.0010 -0.0043 -0.0002 15163 ILE 9 HD12 -0.0008 -0.0037 -0.0001 15164 ILE 9 HD13 -0.0005 -0.0043 -0.0008 15165 ILE 10 N 0.0004 -0.0016 -0.0006 15166 ILE 10 CA 0.0008 -0.0010 -0.0008 15167 ILE 10 C 0.0013 -0.0013 -0.0015 15168 ILE 10 O 0.0012 -0.0019 -0.0017 15169 ILE 10 CB 0.0007 -0.0007 -0.0006 15170 ILE 10 CG1 0.0003 -0.0006 0.0001 15171 ILE 10 CG2 0.0012 -0.0001 -0.0008 15172 ILE 10 CD1 -0.0000 -0.0008 0.0004 15173 ILE 10 H 0.0002 -0.0019 -0.0004 15174 ILE 10 HA 0.0009 -0.0006 -0.0007 15175 ILE 10 HB 0.0007 -0.0012 -0.0007 15176 ILE 10 HG12 0.0004 0.0000 0.0002 15177 ILE 10 HG13 0.0000 -0.0008 0.0003 15178 ILE 10 HG21 0.0011 0.0002 -0.0005 15179 ILE 10 HG22 0.0013 0.0002 -0.0008 15180 ILE 10 HG23 0.0015 -0.0003 -0.0012 15181 ILE 10 HD11 -0.0000 -0.0013 0.0001 15182 ILE 10 HD12 -0.0004 -0.0007 0.0008 15183 ILE 10 HD13 0.0002 -0.0004 0.0003 15184 HIS 11 N 0.0017 -0.0008 -0.0018 15185 HIS 11 CA 0.0022 -0.0010 -0.0024 15186 HIS 11 C 0.0025 -0.0005 -0.0026 15187 HIS 11 O 0.0027 0.0001 -0.0025 15188 HIS 11 CB 0.0024 -0.0010 -0.0027 15189 HIS 11 CG 0.0028 -0.0013 -0.0033 15190 HIS 11 ND1 0.0033 -0.0009 -0.0037 15191 HIS 11 CD2 0.0028 -0.0020 -0.0036 15192 HIS 11 CE1 0.0036 -0.0014 -0.0043 15193 HIS 11 NE2 0.0033 -0.0020 -0.0042 15194 HIS 11 H 0.0018 -0.0003 -0.0016 15195 HIS 11 HA 0.0021 -0.0015 -0.0025 15196 HIS 11 HB2 0.0022 -0.0013 -0.0025 15197 HIS 11 HB3 0.0026 -0.0005 -0.0026 15198 HIS 11 HD2 0.0025 -0.0024 -0.0034 15199 HIS 11 HE1 0.0040 -0.0012 -0.0047 15200 HIS 11 HE2 0.0034 -0.0025 -0.0045 15201 ARG 12 N 0.0026 -0.0008 -0.0027 15202 ARG 12 CA 0.0029 -0.0003 -0.0029 15203 ARG 12 C 0.0034 -0.0001 -0.0034 15204 ARG 12 O 0.0037 -0.0005 -0.0039 15205 ARG 12 CB 0.0028 -0.0008 -0.0030 15206 ARG 12 CG 0.0031 -0.0003 -0.0031 15207 ARG 12 CD 0.0029 -0.0008 -0.0032 15208 ARG 12 NE 0.0032 -0.0005 -0.0034 15209 ARG 12 CZ 0.0036 -0.0006 -0.0039 15210 ARG 12 NH1 0.0037 -0.0011 -0.0043 15211 ARG 12 NH2 0.0038 -0.0003 -0.0040 15212 ARG 12 H 0.0024 -0.0013 -0.0027 15213 ARG 12 HA 0.0027 0.0001 -0.0025 15214 ARG 12 HB2 0.0024 -0.0010 -0.0026 15215 ARG 12 HB3 0.0029 -0.0012 -0.0034 15216 ARG 12 HG2 0.0035 -0.0002 -0.0035 15217 ARG 12 HG3 0.0029 0.0001 -0.0028 15218 ARG 12 HD2 0.0025 -0.0010 -0.0028 15219 ARG 12 HD3 0.0030 -0.0013 -0.0036 15220 ARG 12 HE 0.0031 -0.0001 -0.0031 15221 ARG 12 HH11 0.0036 -0.0014 -0.0042 15222 ARG 12 HH12 0.0040 -0.0013 -0.0047 15223 ARG 12 HH21 0.0037 0.0001 -0.0037 15224 ARG 12 HH22 0.0041 -0.0004 -0.0044 15225 ALA 13 N 0.0038 0.0006 -0.0035 15226 ALA 13 CA 0.0045 0.0010 -0.0040 15227 ALA 13 C 0.0050 0.0011 -0.0044 15228 ALA 13 O 0.0054 0.0017 -0.0045 15229 ALA 13 CB 0.0046 0.0018 -0.0037 15230 ALA 13 H 0.0036 0.0009 -0.0031 15231 ALA 13 HA 0.0046 0.0006 -0.0044 15232 ALA 13 HB1 0.0051 0.0020 -0.0040 15233 ALA 13 HB2 0.0045 0.0022 -0.0034 15234 ALA 13 HB3 0.0042 0.0017 -0.0033 15235 GLY 14 N 0.0048 0.0004 -0.0047 15236 GLY 14 CA 0.0052 0.0005 -0.0051 15237 GLY 14 C 0.0051 0.0009 -0.0047 15238 GLY 14 O 0.0054 0.0010 -0.0049 15239 GLY 14 H 0.0045 -0.0001 -0.0046 15240 GLY 14 HA2 0.0052 -0.0001 -0.0054 15241 GLY 14 HA3 0.0057 0.0008 -0.0055 15242 LYS 15 N 0.0046 0.0012 -0.0040 15243 LYS 15 CA 0.0044 0.0017 -0.0036 15244 LYS 15 C 0.0037 0.0013 -0.0030 15245 LYS 15 O 0.0036 0.0008 -0.0031 15246 LYS 15 CB 0.0046 0.0026 -0.0032 15247 LYS 15 CG 0.0045 0.0027 -0.0031 15248 LYS 15 CD 0.0045 0.0035 -0.0026 15249 LYS 15 CE 0.0051 0.0042 -0.0028 15250 LYS 15 NZ 0.0051 0.0051 -0.0023 15251 LYS 15 H 0.0044 0.0011 -0.0038 15252 LYS 15 HA 0.0047 0.0017 -0.0039 15253 LYS 15 HB2 0.0042 0.0028 -0.0027 15254 LYS 15 HB3 0.0051 0.0030 -0.0035 15255 LYS 15 HG2 0.0049 0.0026 -0.0035 15256 LYS 15 HG3 0.0041 0.0022 -0.0029 15257 LYS 15 HD2 0.0044 0.0036 -0.0025 15258 LYS 15 HD3 0.0041 0.0036 -0.0021 15259 LYS 15 HE2 0.0052 0.0042 -0.0030 15260 LYS 15 HE3 0.0055 0.0042 -0.0033 15261 LYS 15 HZ1 0.0050 0.0051 -0.0022 15262 LYS 15 HZ2 0.0055 0.0055 -0.0025 15263 LYS 15 HZ3 0.0047 0.0051 -0.0019 15264 LYS 16 N 0.0033 0.0014 -0.0025 15265 LYS 16 CA 0.0026 0.0011 -0.0020 15266 LYS 16 C 0.0022 0.0010 -0.0016 15267 LYS 16 O 0.0025 0.0012 -0.0018 15268 LYS 16 CB 0.0024 0.0016 -0.0015 15269 LYS 16 CG 0.0028 0.0025 -0.0013 15270 LYS 16 CD 0.0028 0.0030 -0.0011 15271 LYS 16 CE 0.0032 0.0039 -0.0010 15272 LYS 16 NZ 0.0032 0.0044 -0.0007 15273 LYS 16 H 0.0034 0.0018 -0.0025 15274 LYS 16 HA 0.0025 0.0005 -0.0022 15275 LYS 16 HB2 0.0019 0.0015 -0.0010 15276 LYS 16 HB3 0.0025 0.0014 -0.0017 15277 LYS 16 HG2 0.0032 0.0026 -0.0017 15278 LYS 16 HG3 0.0025 0.0027 -0.0009 15279 LYS 16 HD2 0.0023 0.0029 -0.0006 15280 LYS 16 HD3 0.0031 0.0028 -0.0015 15281 LYS 16 HE2 0.0036 0.0040 -0.0014 15282 LYS 16 HE3 0.0029 0.0041 -0.0006 15283 LYS 16 HZ1 0.0028 0.0044 -0.0003 15284 LYS 16 HZ2 0.0035 0.0050 -0.0008 15285 LYS 16 HZ3 0.0034 0.0041 -0.0011 15286 TYR 17 N 0.0016 0.0007 -0.0011 15287 TYR 17 CA 0.0011 0.0006 -0.0007 15288 TYR 17 C 0.0010 0.0014 -0.0001 15289 TYR 17 O 0.0006 0.0014 0.0004 15290 TYR 17 CB 0.0005 -0.0001 -0.0004 15291 TYR 17 CG 0.0007 -0.0009 -0.0010 15292 TYR 17 CD1 0.0007 -0.0010 -0.0011 15293 TYR 17 CD2 0.0008 -0.0014 -0.0014 15294 TYR 17 CE1 0.0009 -0.0017 -0.0017 15295 TYR 17 CE2 0.0010 -0.0021 -0.0020 15296 TYR 17 CZ 0.0010 -0.0022 -0.0021 15297 TYR 17 OH 0.0012 -0.0029 -0.0026 15298 TYR 17 H 0.0014 0.0006 -0.0010 15299 TYR 17 HA 0.0014 0.0005 -0.0010 15300 TYR 17 HB2 0.0002 -0.0000 -0.0000 15301 TYR 17 HB3 0.0003 -0.0003 -0.0002 15302 TYR 17 HD1 0.0007 -0.0006 -0.0008 15303 TYR 17 HD2 0.0008 -0.0013 -0.0013 15304 TYR 17 HE1 0.0010 -0.0018 -0.0018 15305 TYR 17 HE2 0.0010 -0.0025 -0.0023 15306 TYR 17 HH 0.0013 -0.0031 -0.0029 15307 GLY 18 N 0.0013 0.0020 -0.0001 15308 GLY 18 CA 0.0013 0.0028 0.0004 15309 GLY 18 C 0.0006 0.0029 0.0012 15310 GLY 18 O 0.0005 0.0032 0.0016 15311 GLY 18 H 0.0016 0.0019 -0.0004 15312 GLY 18 HA2 0.0016 0.0032 0.0003 15313 GLY 18 HA3 0.0015 0.0031 0.0003 15314 PHE 19 N -0.0012 0.0012 0.0019 15315 PHE 19 CA -0.0013 0.0012 0.0025 15316 PHE 19 C -0.0013 0.0012 0.0025 15317 PHE 19 O -0.0013 0.0011 0.0021 15318 PHE 19 CB -0.0018 0.0007 0.0027 15319 PHE 19 CG -0.0020 0.0003 0.0025 15320 PHE 19 CD1 -0.0020 0.0001 0.0019 15321 PHE 19 CD2 -0.0023 0.0001 0.0028 15322 PHE 19 CE1 -0.0023 -0.0003 0.0017 15323 PHE 19 CE2 -0.0025 -0.0003 0.0026 15324 PHE 19 CZ -0.0025 -0.0005 0.0020 15325 PHE 19 H -0.0011 0.0012 0.0016 15326 PHE 19 HA -0.0012 0.0015 0.0028 15327 PHE 19 HB2 -0.0018 0.0007 0.0032 15328 PHE 19 HB3 -0.0018 0.0006 0.0027 15329 PHE 19 HD1 -0.0019 0.0003 0.0016 15330 PHE 19 HD2 -0.0023 0.0002 0.0033 15331 PHE 19 HE1 -0.0023 -0.0004 0.0012 15332 PHE 19 HE2 -0.0027 -0.0005 0.0028 15333 PHE 19 HZ -0.0027 -0.0008 0.0018 15334 THR 20 N -0.0013 0.0014 0.0030 15335 THR 20 CA -0.0012 0.0015 0.0031 15336 THR 20 C -0.0016 0.0011 0.0034 15337 THR 20 O -0.0018 0.0010 0.0039 15338 THR 20 CB -0.0009 0.0020 0.0036 15339 THR 20 OG1 -0.0006 0.0023 0.0033 15340 THR 20 CG2 -0.0009 0.0021 0.0037 15341 THR 20 H -0.0013 0.0015 0.0033 15342 THR 20 HA -0.0011 0.0016 0.0027 15343 THR 20 HB -0.0011 0.0019 0.0040 15344 THR 20 HG1 -0.0004 0.0026 0.0036 15345 THR 20 HG21 -0.0007 0.0022 0.0033 15346 THR 20 HG22 -0.0012 0.0017 0.0038 15347 THR 20 HG23 -0.0008 0.0023 0.0041 15348 LEU 21 N -0.0017 0.0009 0.0031 15349 LEU 21 CA -0.0021 0.0005 0.0033 15350 LEU 21 C -0.0020 0.0007 0.0036 15351 LEU 21 O -0.0019 0.0007 0.0034 15352 LEU 21 CB -0.0022 0.0001 0.0028 15353 LEU 21 CG -0.0027 -0.0004 0.0029 15354 LEU 21 CD1 -0.0028 -0.0004 0.0035 15355 LEU 21 CD2 -0.0028 -0.0007 0.0024 15356 LEU 21 H -0.0015 0.0010 0.0027 15357 LEU 21 HA -0.0022 0.0003 0.0036 15358 LEU 21 HB2 -0.0022 0.0001 0.0024 15359 LEU 21 HB3 -0.0021 0.0002 0.0026 15360 LEU 21 HG -0.0028 -0.0005 0.0030 15361 LEU 21 HD11 -0.0032 -0.0008 0.0036 15362 LEU 21 HD12 -0.0027 -0.0003 0.0035 15363 LEU 21 HD13 -0.0027 -0.0002 0.0038 15364 LEU 21 HD21 -0.0028 -0.0006 0.0024 15365 LEU 21 HD22 -0.0031 -0.0011 0.0025 15366 LEU 21 HD23 -0.0027 -0.0007 0.0020 15367 ARG 22 N -0.0020 0.0008 0.0042 15368 ARG 22 CA -0.0019 0.0010 0.0045 15369 ARG 22 C -0.0022 0.0006 0.0046 15370 ARG 22 O -0.0026 0.0003 0.0047 15371 ARG 22 CB -0.0019 0.0013 0.0051 15372 ARG 22 CG -0.0016 0.0017 0.0054 15373 ARG 22 CD -0.0012 0.0021 0.0051 15374 ARG 22 NE -0.0009 0.0025 0.0055 15375 ARG 22 CZ -0.0005 0.0030 0.0053 15376 ARG 22 NH1 -0.0004 0.0030 0.0048 15377 ARG 22 NH2 -0.0003 0.0033 0.0056 15378 ARG 22 H -0.0020 0.0008 0.0043 15379 ARG 22 HA -0.0017 0.0013 0.0043 15380 ARG 22 HB2 -0.0018 0.0014 0.0051 15381 ARG 22 HB3 -0.0021 0.0010 0.0054 15382 ARG 22 HG2 -0.0016 0.0017 0.0059 15383 ARG 22 HG3 -0.0016 0.0016 0.0053 15384 ARG 22 HD2 -0.0011 0.0021 0.0047 15385 ARG 22 HD3 -0.0011 0.0022 0.0052 15386 ARG 22 HE -0.0010 0.0025 0.0058 15387 ARG 22 HH11 -0.0005 0.0028 0.0046 15388 ARG 22 HH12 -0.0001 0.0034 0.0047 15389 ARG 22 HH21 -0.0004 0.0033 0.0060 15390 ARG 22 HH22 -0.0000 0.0036 0.0055 15391 ALA 23 N -0.0022 0.0007 0.0046 15392 ALA 23 CA -0.0025 0.0004 0.0047 15393 ALA 23 C -0.0025 0.0005 0.0053 15394 ALA 23 O -0.0022 0.0009 0.0055 15395 ALA 23 CB -0.0024 0.0004 0.0043 15396 ALA 23 H -0.0019 0.0011 0.0046 15397 ALA 23 HA -0.0027 0.0001 0.0047 15398 ALA 23 HB1 -0.0021 0.0007 0.0043 15399 ALA 23 HB2 -0.0023 0.0003 0.0038 15400 ALA 23 HB3 -0.0026 0.0001 0.0043 15401 ILE 24 N -0.0029 0.0002 0.0056 15402 ILE 24 CA -0.0029 0.0002 0.0062 15403 ILE 24 C -0.0033 -0.0002 0.0063 15404 ILE 24 O -0.0036 -0.0006 0.0061 15405 ILE 24 CB -0.0030 0.0003 0.0067 15406 ILE 24 CG1 -0.0033 -0.0001 0.0065 15407 ILE 24 CG2 -0.0027 0.0008 0.0068 15408 ILE 24 CD1 -0.0035 -0.0002 0.0070 15409 ILE 24 H -0.0031 -0.0002 0.0054 15410 ILE 24 HA -0.0027 0.0006 0.0063 15411 ILE 24 HB -0.0032 0.0002 0.0071 15412 ILE 24 HG12 -0.0031 0.0000 0.0062 15413 ILE 24 HG13 -0.0035 -0.0004 0.0063 15414 ILE 24 HG21 -0.0025 0.0010 0.0069 15415 ILE 24 HG22 -0.0027 0.0008 0.0071 15416 ILE 24 HG23 -0.0025 0.0008 0.0064 15417 ILE 24 HD11 -0.0037 -0.0005 0.0069 15418 ILE 24 HD12 -0.0033 0.0001 0.0073 15419 ILE 24 HD13 -0.0037 -0.0004 0.0073 15420 ARG 25 N -0.0004 -0.0020 0.0054 15421 ARG 25 CA -0.0006 -0.0001 0.0030 15422 ARG 25 C 0.0001 -0.0007 0.0027 15423 ARG 25 O 0.0023 -0.0018 0.0015 15424 ARG 25 CB 0.0009 0.0002 0.0004 15425 ARG 25 CG -0.0000 0.0011 0.0003 15426 ARG 25 CD 0.0018 0.0009 -0.0019 15427 ARG 25 NE 0.0009 0.0019 -0.0022 15428 ARG 25 CZ 0.0023 0.0012 -0.0031 15429 ARG 25 NH1 0.0047 -0.0004 -0.0039 15430 ARG 25 NH2 0.0013 0.0022 -0.0033 15431 ARG 25 H 0.0012 -0.0035 0.0055 15432 ARG 25 HA -0.0025 0.0014 0.0033 15433 ARG 25 HB2 0.0027 -0.0015 0.0003 15434 ARG 25 HB3 0.0009 0.0014 -0.0014 15435 ARG 25 HG2 -0.0017 0.0029 -0.0001 15436 ARG 25 HG3 -0.0004 0.0001 0.0023 15437 ARG 25 HD2 0.0034 -0.0009 -0.0015 15438 ARG 25 HD3 0.0022 0.0018 -0.0039 15439 ARG 25 HE -0.0009 0.0031 -0.0016 15440 ARG 25 HH11 0.0055 -0.0012 -0.0038 15441 ARG 25 HH12 0.0057 -0.0009 -0.0047 15442 ARG 25 HH21 -0.0005 0.0035 -0.0027 15443 ARG 25 HH22 0.0024 0.0017 -0.0040 15444 VAL 26 N -0.0016 0.0001 0.0040 15445 VAL 26 CA -0.0011 -0.0003 0.0039 15446 VAL 26 C -0.0007 0.0012 0.0011 15447 VAL 26 O -0.0024 0.0033 0.0002 15448 VAL 26 CB -0.0031 0.0000 0.0062 15449 VAL 26 CG1 -0.0029 -0.0020 0.0090 15450 VAL 26 CG2 -0.0056 0.0022 0.0063 15451 VAL 26 H -0.0033 0.0010 0.0049 15452 VAL 26 HA 0.0006 -0.0021 0.0043 15453 VAL 26 HB -0.0029 0.0001 0.0057 15454 VAL 26 HG11 -0.0046 -0.0015 0.0106 15455 VAL 26 HG12 -0.0026 -0.0025 0.0092 15456 VAL 26 HG13 -0.0015 -0.0035 0.0091 15457 VAL 26 HG21 -0.0070 0.0025 0.0077 15458 VAL 26 HG22 -0.0057 0.0037 0.0043 15459 VAL 26 HG23 -0.0060 0.0021 0.0070 15460 TYR 27 N 0.0014 0.0001 -0.0002 15461 TYR 27 CA 0.0020 0.0014 -0.0030 15462 TYR 27 C 0.0009 0.0022 -0.0027 15463 TYR 27 O 0.0004 0.0013 -0.0006 15464 TYR 27 CB 0.0048 -0.0002 -0.0045 15465 TYR 27 CG 0.0059 -0.0002 -0.0059 15466 TYR 27 CD1 0.0058 -0.0010 -0.0045 15467 TYR 27 CD2 0.0070 0.0007 -0.0088 15468 TYR 27 CE1 0.0067 -0.0010 -0.0059 15469 TYR 27 CE2 0.0080 0.0007 -0.0101 15470 TYR 27 CZ 0.0078 -0.0002 -0.0087 15471 TYR 27 OH 0.0088 -0.0002 -0.0100 15472 TYR 27 H 0.0026 -0.0016 0.0006 15473 TYR 27 HA 0.0013 0.0028 -0.0041 15474 TYR 27 HB2 0.0056 -0.0019 -0.0030 15475 TYR 27 HB3 0.0052 0.0004 -0.0060 15476 TYR 27 HD1 0.0049 -0.0017 -0.0023 15477 TYR 27 HD2 0.0071 0.0014 -0.0099 15478 TYR 27 HE1 0.0066 -0.0017 -0.0047 15479 TYR 27 HE2 0.0088 0.0014 -0.0124 15480 TYR 27 HH 0.0088 0.0011 -0.0119 15481 MET 28 N 0.0006 0.0040 -0.0049 15482 MET 28 CA -0.0004 0.0050 -0.0050 15483 MET 28 C 0.0010 0.0055 -0.0077 15484 MET 28 O 0.0002 0.0075 -0.0096 15485 MET 28 CB -0.0031 0.0072 -0.0046 15486 MET 28 CG -0.0047 0.0068 -0.0018 15487 MET 28 SD -0.0079 0.0094 -0.0013 15488 MET 28 CE -0.0078 0.0110 -0.0038 15489 MET 28 H 0.0010 0.0047 -0.0066 15490 MET 28 HA -0.0003 0.0037 -0.0034 15491 MET 28 HB2 -0.0033 0.0083 -0.0060 15492 MET 28 HB3 -0.0038 0.0080 -0.0048 15493 MET 28 HG2 -0.0045 0.0056 -0.0003 15494 MET 28 HG3 -0.0041 0.0060 -0.0015 15495 MET 28 HE1 -0.0067 0.0113 -0.0058 15496 MET 28 HE2 -0.0070 0.0100 -0.0034 15497 MET 28 HE3 -0.0096 0.0126 -0.0037 15498 GLY 29 N 0.0030 0.0038 -0.0079 15499 GLY 29 CA 0.0045 0.0041 -0.0104 15500 GLY 29 C 0.0070 0.0027 -0.0118 15501 GLY 29 O 0.0079 0.0011 -0.0105 15502 GLY 29 H 0.0036 0.0022 -0.0064 15503 GLY 29 HA2 0.0047 0.0035 -0.0099 15504 GLY 29 HA3 0.0036 0.0059 -0.0118 15505 ASP 30 N 0.0081 0.0035 -0.0145 15506 ASP 30 CA 0.0105 0.0023 -0.0161 15507 ASP 30 C 0.0103 0.0034 -0.0175 15508 ASP 30 O 0.0120 0.0024 -0.0183 15509 ASP 30 CB 0.0120 0.0024 -0.0183 15510 ASP 30 CG 0.0129 0.0007 -0.0171 15511 ASP 30 OD1 0.0149 -0.0013 -0.0167 15512 ASP 30 OD2 0.0117 0.0014 -0.0164 15513 ASP 30 H 0.0073 0.0048 -0.0154 15514 ASP 30 HA 0.0114 0.0006 -0.0147 15515 ASP 30 HB2 0.0109 0.0041 -0.0193 15516 ASP 30 HB3 0.0135 0.0020 -0.0198 15517 SER 31 N 0.0078 0.0023 -0.0204 15518 SER 31 CA 0.0074 0.0034 -0.0218 15519 SER 31 C 0.0074 0.0023 -0.0197 15520 SER 31 O 0.0074 0.0009 -0.0170 15521 SER 31 CB 0.0050 0.0061 -0.0225 15522 SER 31 OG 0.0039 0.0068 -0.0220 15523 SER 31 H 0.0064 0.0033 -0.0196 15524 SER 31 HA 0.0090 0.0030 -0.0239 15525 SER 31 HB2 0.0037 0.0066 -0.0211 15526 SER 31 HB3 0.0053 0.0070 -0.0249 15527 SER 31 HG 0.0046 0.0071 -0.0238 15528 ASP 32 N 0.0074 0.0029 -0.0208 15529 ASP 32 CA 0.0073 0.0020 -0.0190 15530 ASP 32 C 0.0047 0.0035 -0.0170 15531 ASP 32 O 0.0040 0.0036 -0.0160 15532 ASP 32 CB 0.0084 0.0021 -0.0212 15533 ASP 32 CG 0.0090 0.0007 -0.0195 15534 ASP 32 OD1 0.0102 -0.0014 -0.0176 15535 ASP 32 OD2 0.0083 0.0016 -0.0201 15536 ASP 32 H 0.0074 0.0040 -0.0230 15537 ASP 32 HA 0.0085 0.0002 -0.0176 15538 ASP 32 HB2 0.0102 0.0013 -0.0229 15539 ASP 32 HB3 0.0071 0.0039 -0.0223 15540 VAL 33 N 0.0031 0.0047 -0.0163 15541 VAL 33 CA 0.0005 0.0061 -0.0144 15542 VAL 33 C 0.0003 0.0045 -0.0110 15543 VAL 33 O 0.0013 0.0031 -0.0100 15544 VAL 33 CB -0.0013 0.0081 -0.0151 15545 VAL 33 CG1 -0.0002 0.0071 -0.0150 15546 VAL 33 CG2 -0.0039 0.0094 -0.0127 15547 VAL 33 H 0.0037 0.0045 -0.0171 15548 VAL 33 HA -0.0002 0.0070 -0.0149 15549 VAL 33 HB -0.0014 0.0094 -0.0173 15550 VAL 33 HG11 -0.0014 0.0085 -0.0156 15551 VAL 33 HG12 -0.0001 0.0058 -0.0128 15552 VAL 33 HG13 0.0017 0.0062 -0.0167 15553 VAL 33 HG21 -0.0050 0.0106 -0.0131 15554 VAL 33 HG22 -0.0047 0.0103 -0.0130 15555 VAL 33 HG23 -0.0038 0.0081 -0.0104 15556 TYR 34 N -0.0009 0.0048 -0.0094 15557 TYR 34 CA -0.0012 0.0034 -0.0061 15558 TYR 34 C -0.0037 0.0049 -0.0044 15559 TYR 34 O -0.0047 0.0066 -0.0058 15560 TYR 34 CB 0.0010 0.0010 -0.0056 15561 TYR 34 CG 0.0014 0.0014 -0.0071 15562 TYR 34 CD1 -0.0002 0.0023 -0.0059 15563 TYR 34 CD2 0.0034 0.0009 -0.0098 15564 TYR 34 CE1 0.0002 0.0026 -0.0073 15565 TYR 34 CE2 0.0038 0.0013 -0.0112 15566 TYR 34 CZ 0.0022 0.0021 -0.0099 15567 TYR 34 OH 0.0026 0.0025 -0.0113 15568 TYR 34 H -0.0016 0.0060 -0.0104 15569 TYR 34 HA -0.0012 0.0029 -0.0052 15570 TYR 34 HB2 0.0006 0.0001 -0.0032 15571 TYR 34 HB3 0.0027 -0.0001 -0.0065 15572 TYR 34 HD1 -0.0017 0.0027 -0.0038 15573 TYR 34 HD2 0.0047 0.0002 -0.0108 15574 TYR 34 HE1 -0.0010 0.0033 -0.0063 15575 TYR 34 HE2 0.0054 0.0008 -0.0133 15576 TYR 34 HH 0.0032 0.0031 -0.0136 15577 THR 35 N -0.0046 0.0042 -0.0015 15578 THR 35 CA -0.0069 0.0054 0.0004 15579 THR 35 C -0.0063 0.0038 0.0025 15580 THR 35 O -0.0051 0.0017 0.0042 15581 THR 35 CB -0.0088 0.0062 0.0023 15582 THR 35 OG1 -0.0077 0.0054 0.0018 15583 THR 35 CG2 -0.0112 0.0089 0.0015 15584 THR 35 H -0.0037 0.0028 -0.0005 15585 THR 35 HA -0.0078 0.0070 -0.0012 15586 THR 35 HB -0.0092 0.0053 0.0047 15587 THR 35 HG1 -0.0064 0.0052 -0.0002 15588 THR 35 HG21 -0.0108 0.0098 -0.0009 15589 THR 35 HG22 -0.0121 0.0095 0.0021 15590 THR 35 HG23 -0.0125 0.0094 0.0028 15591 VAL 36 N -0.0072 0.0047 0.0023 15592 VAL 36 CA -0.0067 0.0033 0.0041 15593 VAL 36 C -0.0086 0.0034 0.0073 15594 VAL 36 O -0.0107 0.0052 0.0078 15595 VAL 36 CB -0.0067 0.0041 0.0026 15596 VAL 36 CG1 -0.0054 0.0021 0.0040 15597 VAL 36 CG2 -0.0055 0.0047 -0.0009 15598 VAL 36 H -0.0082 0.0063 0.0009 15599 VAL 36 HA -0.0048 0.0014 0.0043 15600 VAL 36 HB -0.0087 0.0057 0.0031 15601 VAL 36 HG11 -0.0056 0.0028 0.0030 15602 VAL 36 HG12 -0.0035 0.0006 0.0035 15603 VAL 36 HG13 -0.0063 0.0017 0.0064 15604 VAL 36 HG21 -0.0066 0.0062 -0.0019 15605 VAL 36 HG22 -0.0036 0.0032 -0.0014 15606 VAL 36 HG23 -0.0054 0.0052 -0.0018 15607 HIS 37 N -0.0051 -0.0004 0.0053 15608 HIS 37 CA -0.0052 -0.0006 0.0052 15609 HIS 37 C -0.0049 -0.0002 0.0049 15610 HIS 37 O -0.0046 0.0002 0.0048 15611 HIS 37 CB -0.0054 -0.0007 0.0058 15612 HIS 37 CG -0.0057 -0.0011 0.0061 15613 HIS 37 ND1 -0.0060 -0.0015 0.0058 15614 HIS 37 CD2 -0.0058 -0.0011 0.0067 15615 HIS 37 CE1 -0.0063 -0.0018 0.0062 15616 HIS 37 NE2 -0.0062 -0.0016 0.0067 15617 HIS 37 H -0.0049 -0.0002 0.0056 15618 HIS 37 HA -0.0054 -0.0009 0.0049 15619 HIS 37 HB2 -0.0051 -0.0004 0.0061 15620 HIS 37 HB3 -0.0054 -0.0007 0.0057 15621 HIS 37 HD2 -0.0056 -0.0009 0.0071 15622 HIS 37 HE1 -0.0066 -0.0022 0.0061 15623 HIS 37 HE2 -0.0063 -0.0017 0.0071 15624 HIS 38 N -0.0049 -0.0002 0.0049 15625 HIS 38 CA -0.0046 0.0002 0.0046 15626 HIS 38 C -0.0046 0.0002 0.0049 15627 HIS 38 O -0.0049 -0.0002 0.0051 15628 HIS 38 CB -0.0046 0.0001 0.0039 15629 HIS 38 CG -0.0045 0.0001 0.0036 15630 HIS 38 ND1 -0.0042 0.0006 0.0036 15631 HIS 38 CD2 -0.0047 -0.0002 0.0033 15632 HIS 38 CE1 -0.0042 0.0005 0.0033 15633 HIS 38 NE2 -0.0045 0.0000 0.0031 15634 HIS 38 H -0.0051 -0.0005 0.0050 15635 HIS 38 HA -0.0043 0.0005 0.0047 15636 HIS 38 HB2 -0.0048 -0.0003 0.0038 15637 HIS 38 HB3 -0.0043 0.0003 0.0038 15638 HIS 38 HD2 -0.0050 -0.0006 0.0032 15639 HIS 38 HE1 -0.0040 0.0007 0.0032 15640 HIS 38 HE2 -0.0047 -0.0002 0.0030 15641 MET 39 N -0.0043 0.0006 0.0049 15642 MET 39 CA -0.0043 0.0006 0.0052 15643 MET 39 C -0.0040 0.0010 0.0048 15644 MET 39 O -0.0036 0.0014 0.0047 15645 MET 39 CB -0.0042 0.0008 0.0058 15646 MET 39 CG -0.0045 0.0005 0.0062 15647 MET 39 SD -0.0045 0.0006 0.0070 15648 MET 39 CE -0.0040 0.0012 0.0071 15649 MET 39 H -0.0040 0.0009 0.0047 15650 MET 39 HA -0.0045 0.0003 0.0051 15651 MET 39 HB2 -0.0039 0.0011 0.0059 15652 MET 39 HB3 -0.0042 0.0008 0.0060 15653 MET 39 HG2 -0.0048 0.0001 0.0061 15654 MET 39 HG3 -0.0045 0.0005 0.0061 15655 MET 39 HE1 -0.0040 0.0012 0.0070 15656 MET 39 HE2 -0.0040 0.0013 0.0076 15657 MET 39 HE3 -0.0039 0.0014 0.0068 15658 VAL 40 N -0.0040 0.0009 0.0047 15659 VAL 40 CA -0.0037 0.0012 0.0044 15660 VAL 40 C -0.0034 0.0016 0.0049 15661 VAL 40 O -0.0035 0.0016 0.0053 15662 VAL 40 CB -0.0039 0.0010 0.0042 15663 VAL 40 CG1 -0.0042 0.0007 0.0047 15664 VAL 40 CG2 -0.0036 0.0013 0.0040 15665 VAL 40 H -0.0043 0.0006 0.0049 15666 VAL 40 HA -0.0036 0.0013 0.0040 15667 VAL 40 HB -0.0041 0.0007 0.0038 15668 VAL 40 HG11 -0.0041 0.0009 0.0049 15669 VAL 40 HG12 -0.0043 0.0006 0.0050 15670 VAL 40 HG13 -0.0044 0.0003 0.0045 15671 VAL 40 HG21 -0.0037 0.0011 0.0037 15672 VAL 40 HG22 -0.0034 0.0016 0.0037 15673 VAL 40 HG23 -0.0035 0.0015 0.0044 15674 TRP 41 N -0.0031 0.0020 0.0047 15675 TRP 41 CA -0.0028 0.0025 0.0051 15676 TRP 41 C -0.0026 0.0027 0.0050 15677 TRP 41 O -0.0025 0.0029 0.0054 15678 TRP 41 CB -0.0025 0.0028 0.0049 15679 TRP 41 CG -0.0023 0.0032 0.0054 15680 TRP 41 CD1 -0.0019 0.0036 0.0054 15681 TRP 41 CD2 -0.0025 0.0030 0.0060 15682 TRP 41 NE1 -0.0018 0.0038 0.0059 15683 TRP 41 CE2 -0.0021 0.0035 0.0063 15684 TRP 41 CE3 -0.0028 0.0026 0.0063 15685 TRP 41 CZ2 -0.0022 0.0035 0.0069 15686 TRP 41 CZ3 -0.0029 0.0026 0.0069 15687 TRP 41 CH2 -0.0026 0.0031 0.0072 15688 TRP 41 H -0.0031 0.0020 0.0044 15689 TRP 41 HA -0.0029 0.0024 0.0055 15690 TRP 41 HB2 -0.0027 0.0026 0.0047 15691 TRP 41 HB3 -0.0023 0.0030 0.0045 15692 TRP 41 HD1 -0.0017 0.0038 0.0050 15693 TRP 41 HE1 -0.0016 0.0042 0.0060 15694 TRP 41 HE3 -0.0031 0.0023 0.0061 15695 TRP 41 HZ2 -0.0020 0.0038 0.0071 15696 TRP 41 HZ3 -0.0031 0.0023 0.0071 15697 TRP 41 HH2 -0.0026 0.0031 0.0076 15698 HIS 42 N -0.0026 0.0027 0.0045 15699 HIS 42 CA -0.0024 0.0029 0.0043 15700 HIS 42 C -0.0025 0.0026 0.0037 15701 HIS 42 O -0.0025 0.0026 0.0033 15702 HIS 42 CB -0.0020 0.0034 0.0042 15703 HIS 42 CG -0.0018 0.0037 0.0045 15704 HIS 42 ND1 -0.0016 0.0040 0.0050 15705 HIS 42 CD2 -0.0017 0.0037 0.0042 15706 HIS 42 CE1 -0.0014 0.0042 0.0050 15707 HIS 42 NE2 -0.0015 0.0041 0.0046 15708 HIS 42 H -0.0027 0.0025 0.0041 15709 HIS 42 HA -0.0025 0.0028 0.0047 15710 HIS 42 HB2 -0.0019 0.0035 0.0044 15711 HIS 42 HB3 -0.0019 0.0035 0.0037 15712 HIS 42 HD2 -0.0018 0.0036 0.0038 15713 HIS 42 HE1 -0.0013 0.0045 0.0054 15714 HIS 42 HE2 -0.0014 0.0042 0.0045 15715 VAL 43 N -0.0019 0.0040 0.0030 15716 VAL 43 CA -0.0013 0.0036 0.0025 15717 VAL 43 C -0.0006 0.0043 0.0022 15718 VAL 43 O -0.0006 0.0051 0.0025 15719 VAL 43 CB -0.0016 0.0030 0.0025 15720 VAL 43 CG1 -0.0020 0.0037 0.0030 15721 VAL 43 CG2 -0.0010 0.0027 0.0019 15722 VAL 43 H -0.0021 0.0045 0.0033 15723 VAL 43 HA -0.0011 0.0031 0.0022 15724 VAL 43 HB -0.0021 0.0025 0.0027 15725 VAL 43 HG11 -0.0016 0.0043 0.0029 15726 VAL 43 HG12 -0.0025 0.0038 0.0034 15727 VAL 43 HG13 -0.0021 0.0033 0.0030 15728 VAL 43 HG21 -0.0007 0.0022 0.0016 15729 VAL 43 HG22 -0.0005 0.0032 0.0018 15730 VAL 43 HG23 -0.0012 0.0023 0.0020 15731 GLU 44 N 0.0001 0.0041 0.0016 15732 GLU 44 CA 0.0009 0.0047 0.0013 15733 GLU 44 C 0.0011 0.0048 0.0012 15734 GLU 44 O 0.0013 0.0042 0.0008 15735 GLU 44 CB 0.0015 0.0043 0.0007 15736 GLU 44 CG 0.0015 0.0044 0.0008 15737 GLU 44 CD 0.0021 0.0040 0.0002 15738 GLU 44 OE1 0.0020 0.0032 -0.0000 15739 GLU 44 OE2 0.0028 0.0046 -0.0001 15740 GLU 44 H 0.0001 0.0035 0.0014 15741 GLU 44 HA 0.0008 0.0054 0.0015 15742 GLU 44 HB2 0.0014 0.0035 0.0005 15743 GLU 44 HB3 0.0021 0.0046 0.0004 15744 GLU 44 HG2 0.0016 0.0052 0.0009 15745 GLU 44 HG3 0.0009 0.0041 0.0010 15746 ASP 45 N 0.0011 0.0057 0.0014 15747 ASP 45 CA 0.0014 0.0060 0.0013 15748 ASP 45 C 0.0023 0.0062 0.0007 15749 ASP 45 O 0.0026 0.0068 0.0007 15750 ASP 45 CB 0.0010 0.0068 0.0018 15751 ASP 45 CG 0.0012 0.0076 0.0019 15752 ASP 45 OD1 0.0011 0.0075 0.0020 15753 ASP 45 OD2 0.0015 0.0084 0.0019 15754 ASP 45 H 0.0010 0.0062 0.0016 15755 ASP 45 HA 0.0011 0.0054 0.0013 15756 ASP 45 HB2 0.0012 0.0070 0.0018 15757 ASP 45 HB3 0.0004 0.0066 0.0022 15758 GLY 46 N 0.0027 0.0056 0.0003 15759 GLY 46 CA 0.0035 0.0058 -0.0003 15760 GLY 46 C 0.0038 0.0051 -0.0007 15761 GLY 46 O 0.0045 0.0053 -0.0011 15762 GLY 46 H 0.0024 0.0052 0.0003 15763 GLY 46 HA2 0.0037 0.0065 -0.0002 15764 GLY 46 HA3 0.0037 0.0057 -0.0004 15765 GLY 47 N 0.0034 0.0042 -0.0007 15766 GLY 47 CA 0.0037 0.0035 -0.0011 15767 GLY 47 C 0.0031 0.0026 -0.0010 15768 GLY 47 O 0.0029 0.0023 -0.0009 15769 GLY 47 H 0.0029 0.0041 -0.0003 15770 GLY 47 HA2 0.0038 0.0038 -0.0011 15771 GLY 47 HA3 0.0042 0.0034 -0.0015 15772 PRO 48 N 0.0028 0.0022 -0.0009 15773 PRO 48 CA 0.0023 0.0013 -0.0008 15774 PRO 48 C 0.0015 0.0012 -0.0002 15775 PRO 48 O 0.0015 0.0015 -0.0001 15776 PRO 48 CB 0.0021 0.0011 -0.0007 15777 PRO 48 CG 0.0028 0.0016 -0.0011 15778 PRO 48 CD 0.0030 0.0025 -0.0009 15779 PRO 48 HA 0.0026 0.0007 -0.0012 15780 PRO 48 HB2 0.0016 0.0014 -0.0003 15781 PRO 48 HB3 0.0020 0.0004 -0.0009 15782 PRO 48 HG2 0.0027 0.0018 -0.0009 15783 PRO 48 HG3 0.0033 0.0012 -0.0015 15784 PRO 48 HD2 0.0027 0.0030 -0.0005 15785 PRO 48 HD3 0.0037 0.0028 -0.0013 15786 ALA 49 N 0.0010 0.0009 0.0003 15787 ALA 49 CA 0.0003 0.0007 0.0007 15788 ALA 49 C 0.0001 0.0015 0.0010 15789 ALA 49 O -0.0001 0.0014 0.0011 15790 ALA 49 CB -0.0003 0.0005 0.0011 15791 ALA 49 H 0.0010 0.0007 0.0002 15792 ALA 49 HA 0.0003 0.0002 0.0006 15793 ALA 49 HB1 -0.0006 -0.0001 0.0012 15794 ALA 49 HB2 -0.0007 0.0010 0.0015 15795 ALA 49 HB3 -0.0001 0.0005 0.0009 15796 SER 50 N 0.0003 0.0023 0.0010 15797 SER 50 CA 0.0001 0.0030 0.0012 15798 SER 50 C 0.0005 0.0031 0.0010 15799 SER 50 O 0.0002 0.0031 0.0012 15800 SER 50 CB 0.0003 0.0039 0.0013 15801 SER 50 OG -0.0004 0.0042 0.0018 15802 SER 50 H 0.0005 0.0024 0.0009 15803 SER 50 HA -0.0005 0.0030 0.0016 15804 SER 50 HB2 0.0006 0.0037 0.0010 15805 SER 50 HB3 0.0005 0.0044 0.0012 15806 SER 50 HG -0.0008 0.0039 0.0020 15807 GLU 51 N 0.0012 0.0033 0.0005 15808 GLU 51 CA 0.0017 0.0034 0.0002 15809 GLU 51 C 0.0016 0.0026 0.0001 15810 GLU 51 O 0.0017 0.0026 0.0001 15811 GLU 51 CB 0.0025 0.0036 -0.0003 15812 GLU 51 CG 0.0026 0.0044 -0.0003 15813 GLU 51 CD 0.0030 0.0051 -0.0004 15814 GLU 51 OE1 0.0026 0.0056 -0.0001 15815 GLU 51 OE2 0.0037 0.0053 -0.0008 15816 GLU 51 H 0.0015 0.0032 0.0003 15817 GLU 51 HA 0.0015 0.0039 0.0004 15818 GLU 51 HB2 0.0026 0.0030 -0.0005 15819 GLU 51 HB3 0.0028 0.0037 -0.0005 15820 GLU 51 HG2 0.0021 0.0046 0.0001 15821 GLU 51 HG3 0.0029 0.0042 -0.0005 15822 ALA 52 N 0.0014 0.0018 0.0002 15823 ALA 52 CA 0.0012 0.0010 0.0001 15824 ALA 52 C 0.0006 0.0010 0.0006 15825 ALA 52 O 0.0005 0.0006 0.0006 15826 ALA 52 CB 0.0011 0.0003 0.0001 15827 ALA 52 H 0.0013 0.0018 0.0003 15828 ALA 52 HA 0.0017 0.0009 -0.0002 15829 ALA 52 HB1 0.0016 0.0002 -0.0003 15830 ALA 52 HB2 0.0009 -0.0003 0.0002 15831 ALA 52 HB3 0.0008 0.0005 0.0004 15832 GLY 53 N 0.0001 0.0016 0.0010 15833 GLY 53 CA -0.0006 0.0016 0.0015 15834 GLY 53 C -0.0012 0.0016 0.0019 15835 GLY 53 O -0.0018 0.0019 0.0024 15836 GLY 53 H 0.0002 0.0019 0.0010 15837 GLY 53 HA2 -0.0005 0.0022 0.0015 15838 GLY 53 HA3 -0.0006 0.0011 0.0014 15839 LEU 54 N -0.0012 0.0014 0.0019 15840 LEU 54 CA -0.0018 0.0014 0.0023 15841 LEU 54 C -0.0020 0.0023 0.0026 15842 LEU 54 O -0.0016 0.0028 0.0024 15843 LEU 54 CB -0.0017 0.0010 0.0021 15844 LEU 54 CG -0.0023 0.0006 0.0025 15845 LEU 54 CD1 -0.0022 0.0000 0.0023 15846 LEU 54 CD2 -0.0027 0.0014 0.0029 15847 LEU 54 H -0.0007 0.0013 0.0015 15848 LEU 54 HA -0.0023 0.0011 0.0026 15849 LEU 54 HB2 -0.0014 0.0004 0.0018 15850 LEU 54 HB3 -0.0013 0.0014 0.0020 15851 LEU 54 HG -0.0027 0.0003 0.0028 15852 LEU 54 HD11 -0.0019 -0.0005 0.0021 15853 LEU 54 HD12 -0.0026 -0.0002 0.0026 15854 LEU 54 HD13 -0.0018 0.0004 0.0021 15855 LEU 54 HD21 -0.0031 0.0012 0.0032 15856 LEU 54 HD22 -0.0029 0.0018 0.0031 15857 LEU 54 HD23 -0.0023 0.0018 0.0027 15858 ARG 55 N -0.0028 0.0012 0.0001 15859 ARG 55 CA -0.0031 0.0018 0.0001 15860 ARG 55 C -0.0036 0.0019 0.0006 15861 ARG 55 O -0.0037 0.0016 0.0011 15862 ARG 55 CB -0.0031 0.0018 0.0001 15863 ARG 55 CG -0.0030 0.0012 0.0003 15864 ARG 55 CD -0.0033 0.0010 0.0010 15865 ARG 55 NE -0.0036 0.0013 0.0012 15866 ARG 55 CZ -0.0038 0.0011 0.0016 15867 ARG 55 NH1 -0.0037 0.0005 0.0019 15868 ARG 55 NH2 -0.0041 0.0014 0.0018 15869 ARG 55 H -0.0028 0.0008 0.0003 15870 ARG 55 HA -0.0031 0.0021 -0.0003 15871 ARG 55 HB2 -0.0035 0.0021 0.0004 15872 ARG 55 HB3 -0.0030 0.0020 -0.0003 15873 ARG 55 HG2 -0.0029 0.0012 0.0002 15874 ARG 55 HG3 -0.0027 0.0008 0.0002 15875 ARG 55 HD2 -0.0031 0.0005 0.0011 15876 ARG 55 HD3 -0.0034 0.0010 0.0011 15877 ARG 55 HE -0.0037 0.0017 0.0010 15878 ARG 55 HH11 -0.0035 0.0002 0.0018 15879 ARG 55 HH12 -0.0039 0.0003 0.0023 15880 ARG 55 HH21 -0.0042 0.0018 0.0016 15881 ARG 55 HH22 -0.0043 0.0012 0.0022 15882 GLN 56 N -0.0038 0.0025 0.0005 15883 GLN 56 CA -0.0042 0.0027 0.0010 15884 GLN 56 C -0.0045 0.0026 0.0015 15885 GLN 56 O -0.0045 0.0028 0.0014 15886 GLN 56 CB -0.0044 0.0033 0.0008 15887 GLN 56 CG -0.0048 0.0035 0.0012 15888 GLN 56 CD -0.0050 0.0041 0.0010 15889 GLN 56 OE1 -0.0047 0.0041 0.0005 15890 GLN 56 NE2 -0.0054 0.0045 0.0013 15891 GLN 56 H -0.0037 0.0027 0.0002 15892 GLN 56 HA -0.0042 0.0024 0.0012 15893 GLN 56 HB2 -0.0042 0.0034 0.0004 15894 GLN 56 HB3 -0.0045 0.0036 0.0007 15895 GLN 56 HG2 -0.0051 0.0037 0.0015 15896 GLN 56 HG3 -0.0048 0.0032 0.0015 15897 GLN 56 HE21 -0.0056 0.0044 0.0016 15898 GLN 56 HE22 -0.0054 0.0049 0.0011 15899 GLY 57 N -0.0048 0.0024 0.0020 15900 GLY 57 CA -0.0050 0.0023 0.0025 15901 GLY 57 C -0.0048 0.0017 0.0026 15902 GLY 57 O -0.0048 0.0017 0.0026 15903 GLY 57 H -0.0047 0.0023 0.0020 15904 GLY 57 HA2 -0.0053 0.0023 0.0028 15905 GLY 57 HA3 -0.0052 0.0027 0.0024 15906 ASP 58 N -0.0047 0.0012 0.0027 15907 ASP 58 CA -0.0044 0.0006 0.0029 15908 ASP 58 C -0.0046 0.0002 0.0034 15909 ASP 58 O -0.0047 0.0004 0.0034 15910 ASP 58 CB -0.0039 0.0003 0.0024 15911 ASP 58 CG -0.0037 -0.0001 0.0024 15912 ASP 58 OD1 -0.0039 -0.0005 0.0028 15913 ASP 58 OD2 -0.0034 -0.0002 0.0019 15914 ASP 58 H -0.0047 0.0013 0.0027 15915 ASP 58 HA -0.0045 0.0006 0.0030 15916 ASP 58 HB2 -0.0039 0.0007 0.0020 15917 ASP 58 HB3 -0.0038 0.0001 0.0023 15918 LEU 59 N -0.0045 -0.0003 0.0037 15919 LEU 59 CA -0.0046 -0.0007 0.0041 15920 LEU 59 C -0.0042 -0.0012 0.0040 15921 LEU 59 O -0.0039 -0.0015 0.0038 15922 LEU 59 CB -0.0049 -0.0008 0.0046 15923 LEU 59 CG -0.0049 -0.0014 0.0051 15924 LEU 59 CD1 -0.0052 -0.0013 0.0054 15925 LEU 59 CD2 -0.0051 -0.0016 0.0055 15926 LEU 59 H -0.0044 -0.0004 0.0036 15927 LEU 59 HA -0.0048 -0.0004 0.0042 15928 LEU 59 HB2 -0.0052 -0.0005 0.0048 15929 LEU 59 HB3 -0.0047 -0.0009 0.0045 15930 LEU 59 HG -0.0046 -0.0018 0.0049 15931 LEU 59 HD11 -0.0051 -0.0011 0.0052 15932 LEU 59 HD12 -0.0052 -0.0017 0.0058 15933 LEU 59 HD13 -0.0055 -0.0009 0.0056 15934 LEU 59 HD21 -0.0054 -0.0012 0.0057 15935 LEU 59 HD22 -0.0051 -0.0020 0.0058 15936 LEU 59 HD23 -0.0048 -0.0018 0.0053 15937 ILE 60 N -0.0042 -0.0014 0.0041 15938 ILE 60 CA -0.0038 -0.0019 0.0039 15939 ILE 60 C -0.0039 -0.0025 0.0044 15940 ILE 60 O -0.0042 -0.0025 0.0049 15941 ILE 60 CB -0.0038 -0.0018 0.0038 15942 ILE 60 CG1 -0.0037 -0.0013 0.0033 15943 ILE 60 CG2 -0.0035 -0.0024 0.0037 15944 ILE 60 CD1 -0.0041 -0.0007 0.0033 15945 ILE 60 H -0.0045 -0.0011 0.0042 15946 ILE 60 HA -0.0036 -0.0019 0.0035 15947 ILE 60 HB -0.0041 -0.0017 0.0041 15948 ILE 60 HG12 -0.0036 -0.0014 0.0031 15949 ILE 60 HG13 -0.0034 -0.0014 0.0029 15950 ILE 60 HG21 -0.0034 -0.0023 0.0037 15951 ILE 60 HG22 -0.0032 -0.0025 0.0034 15952 ILE 60 HG23 -0.0035 -0.0027 0.0041 15953 ILE 60 HD11 -0.0043 -0.0006 0.0036 15954 ILE 60 HD12 -0.0042 -0.0006 0.0034 15955 ILE 60 HD13 -0.0040 -0.0004 0.0029 15956 THR 61 N -0.0036 -0.0026 0.0040 15957 THR 61 CA -0.0037 -0.0032 0.0043 15958 THR 61 C -0.0036 -0.0036 0.0039 15959 THR 61 O -0.0037 -0.0039 0.0041 15960 THR 61 CB -0.0038 -0.0035 0.0044 15961 THR 61 OG1 -0.0036 -0.0037 0.0039 15962 THR 61 CG2 -0.0039 -0.0031 0.0047 15963 THR 61 H -0.0035 -0.0026 0.0037 15964 THR 61 HA -0.0039 -0.0030 0.0047 15965 THR 61 HB -0.0040 -0.0039 0.0047 15966 THR 61 HG1 -0.0036 -0.0041 0.0038 15967 THR 61 HG21 -0.0038 -0.0027 0.0045 15968 THR 61 HG22 -0.0041 -0.0029 0.0051 15969 THR 61 HG23 -0.0040 -0.0033 0.0049 15970 HIS 62 N -0.0034 -0.0035 0.0034 15971 HIS 62 CA -0.0032 -0.0039 0.0030 15972 HIS 62 C -0.0030 -0.0036 0.0024 15973 HIS 62 O -0.0029 -0.0031 0.0023 15974 HIS 62 CB -0.0032 -0.0045 0.0028 15975 HIS 62 CG -0.0035 -0.0049 0.0033 15976 HIS 62 ND1 -0.0036 -0.0049 0.0036 15977 HIS 62 CD2 -0.0036 -0.0053 0.0035 15978 HIS 62 CE1 -0.0038 -0.0053 0.0040 15979 HIS 62 NE2 -0.0038 -0.0056 0.0040 15980 HIS 62 H -0.0033 -0.0033 0.0032 15981 HIS 62 HA -0.0033 -0.0040 0.0032 15982 HIS 62 HB2 -0.0031 -0.0044 0.0027 15983 HIS 62 HB3 -0.0031 -0.0048 0.0025 15984 HIS 62 HD2 -0.0035 -0.0055 0.0034 15985 HIS 62 HE1 -0.0039 -0.0054 0.0043 15986 HIS 62 HE2 -0.0039 -0.0059 0.0042 15987 VAL 63 N -0.0029 -0.0038 0.0021 15988 VAL 63 CA -0.0026 -0.0036 0.0016 15989 VAL 63 C -0.0025 -0.0041 0.0012 15990 VAL 63 O -0.0026 -0.0044 0.0013 15991 VAL 63 CB -0.0026 -0.0031 0.0016 15992 VAL 63 CG1 -0.0027 -0.0033 0.0019 15993 VAL 63 CG2 -0.0023 -0.0028 0.0011 15994 VAL 63 H -0.0030 -0.0041 0.0022 15995 VAL 63 HA -0.0025 -0.0034 0.0014 15996 VAL 63 HB -0.0027 -0.0027 0.0019 15997 VAL 63 HG11 -0.0029 -0.0035 0.0023 15998 VAL 63 HG12 -0.0027 -0.0029 0.0019 15999 VAL 63 HG13 -0.0026 -0.0036 0.0016 16000 VAL 63 HG21 -0.0023 -0.0026 0.0011 16001 VAL 63 HG22 -0.0023 -0.0025 0.0010 16002 VAL 63 HG23 -0.0022 -0.0031 0.0007 16003 ASN 64 N -0.0023 -0.0042 0.0007 16004 ASN 64 CA -0.0022 -0.0046 0.0003 16005 ASN 64 C -0.0023 -0.0053 0.0006 16006 ASN 64 O -0.0023 -0.0056 0.0004 16007 ASN 64 CB -0.0020 -0.0045 0.0000 16008 ASN 64 CG -0.0018 -0.0043 -0.0006 16009 ASN 64 OD1 -0.0017 -0.0041 -0.0007 16010 ASN 64 ND2 -0.0016 -0.0045 -0.0009 16011 ASN 64 H -0.0023 -0.0039 0.0007 16012 ASN 64 HA -0.0020 -0.0047 0.0000 16013 ASN 64 HB2 -0.0021 -0.0041 0.0002 16014 ASN 64 HB3 -0.0021 -0.0049 0.0000 16015 ASN 64 HD21 -0.0017 -0.0047 -0.0008 16016 ASN 64 HD22 -0.0014 -0.0044 -0.0013 16017 GLY 65 N -0.0025 -0.0053 0.0010 16018 GLY 65 CA -0.0027 -0.0059 0.0013 16019 GLY 65 C -0.0028 -0.0060 0.0016 16020 GLY 65 O -0.0028 -0.0064 0.0016 16021 GLY 65 H -0.0026 -0.0050 0.0011 16022 GLY 65 HA2 -0.0028 -0.0059 0.0016 16023 GLY 65 HA3 -0.0026 -0.0063 0.0010 16024 GLU 66 N -0.0029 -0.0055 0.0019 16025 GLU 66 CA -0.0030 -0.0055 0.0022 16026 GLU 66 C -0.0032 -0.0050 0.0027 16027 GLU 66 O -0.0032 -0.0045 0.0027 16028 GLU 66 CB -0.0029 -0.0052 0.0019 16029 GLU 66 CG -0.0029 -0.0055 0.0019 16030 GLU 66 CD -0.0029 -0.0062 0.0019 16031 GLU 66 OE1 -0.0028 -0.0064 0.0014 16032 GLU 66 OE2 -0.0032 -0.0065 0.0023 16033 GLU 66 H -0.0029 -0.0051 0.0019 16034 GLU 66 HA -0.0031 -0.0059 0.0023 16035 GLU 66 HB2 -0.0027 -0.0053 0.0014 16036 GLU 66 HB3 -0.0029 -0.0047 0.0019 16037 GLU 66 HG2 -0.0028 -0.0053 0.0016 16038 GLU 66 HG3 -0.0031 -0.0054 0.0023 16039 PRO 67 N -0.0051 -0.0039 0.0022 16040 PRO 67 CA -0.0052 -0.0036 0.0027 16041 PRO 67 C -0.0049 -0.0032 0.0027 16042 PRO 67 O -0.0048 -0.0032 0.0024 16043 PRO 67 CB -0.0056 -0.0040 0.0029 16044 PRO 67 CG -0.0058 -0.0045 0.0027 16045 PRO 67 CD -0.0055 -0.0044 0.0022 16046 PRO 67 HA -0.0053 -0.0035 0.0030 16047 PRO 67 HB2 -0.0055 -0.0040 0.0028 16048 PRO 67 HB3 -0.0058 -0.0039 0.0034 16049 PRO 67 HG2 -0.0059 -0.0048 0.0025 16050 PRO 67 HG3 -0.0060 -0.0046 0.0029 16051 PRO 67 HD2 -0.0055 -0.0046 0.0018 16052 PRO 67 HD3 -0.0056 -0.0045 0.0022 16053 VAL 68 N -0.0048 -0.0027 0.0030 16054 VAL 68 CA -0.0045 -0.0023 0.0030 16055 VAL 68 C -0.0046 -0.0023 0.0034 16056 VAL 68 O -0.0044 -0.0019 0.0035 16057 VAL 68 CB -0.0042 -0.0018 0.0032 16058 VAL 68 CG1 -0.0040 -0.0018 0.0028 16059 VAL 68 CG2 -0.0044 -0.0018 0.0037 16060 VAL 68 H -0.0049 -0.0027 0.0033 16061 VAL 68 HA -0.0043 -0.0023 0.0026 16062 VAL 68 HB -0.0040 -0.0015 0.0032 16063 VAL 68 HG11 -0.0042 -0.0022 0.0027 16064 VAL 68 HG12 -0.0038 -0.0019 0.0024 16065 VAL 68 HG13 -0.0038 -0.0015 0.0029 16066 VAL 68 HG21 -0.0046 -0.0018 0.0040 16067 VAL 68 HG22 -0.0046 -0.0021 0.0037 16068 VAL 68 HG23 -0.0042 -0.0014 0.0038 16069 HIS 69 N -0.0050 -0.0026 0.0037 16070 HIS 69 CA -0.0052 -0.0026 0.0042 16071 HIS 69 C -0.0052 -0.0027 0.0039 16072 HIS 69 O -0.0054 -0.0031 0.0037 16073 HIS 69 CB -0.0056 -0.0030 0.0044 16074 HIS 69 CG -0.0057 -0.0029 0.0048 16075 HIS 69 ND1 -0.0061 -0.0031 0.0052 16076 HIS 69 CD2 -0.0055 -0.0025 0.0049 16077 HIS 69 CE1 -0.0061 -0.0029 0.0055 16078 HIS 69 NE2 -0.0057 -0.0025 0.0053 16079 HIS 69 H -0.0051 -0.0028 0.0037 16080 HIS 69 HA -0.0051 -0.0023 0.0045 16081 HIS 69 HB2 -0.0057 -0.0033 0.0041 16082 HIS 69 HB3 -0.0058 -0.0032 0.0046 16083 HIS 69 HD2 -0.0052 -0.0022 0.0046 16084 HIS 69 HE1 -0.0063 -0.0030 0.0058 16085 HIS 69 HE2 -0.0056 -0.0022 0.0055 16086 GLY 70 N -0.0049 -0.0023 0.0040 16087 GLY 70 CA -0.0049 -0.0024 0.0038 16088 GLY 70 C -0.0045 -0.0021 0.0033 16089 GLY 70 O -0.0044 -0.0021 0.0032 16090 GLY 70 H -0.0048 -0.0020 0.0042 16091 GLY 70 HA2 -0.0049 -0.0022 0.0042 16092 GLY 70 HA3 -0.0051 -0.0027 0.0037 16093 LEU 71 N -0.0043 -0.0020 0.0031 16094 LEU 71 CA -0.0039 -0.0017 0.0027 16095 LEU 71 C -0.0036 -0.0012 0.0029 16096 LEU 71 O -0.0036 -0.0009 0.0033 16097 LEU 71 CB -0.0038 -0.0018 0.0024 16098 LEU 71 CG -0.0040 -0.0023 0.0021 16099 LEU 71 CD1 -0.0038 -0.0022 0.0018 16100 LEU 71 CD2 -0.0040 -0.0025 0.0017 16101 LEU 71 H -0.0044 -0.0020 0.0033 16102 LEU 71 HA -0.0039 -0.0020 0.0024 16103 LEU 71 HB2 -0.0038 -0.0016 0.0027 16104 LEU 71 HB3 -0.0035 -0.0015 0.0021 16105 LEU 71 HG -0.0043 -0.0025 0.0024 16106 LEU 71 HD11 -0.0039 -0.0026 0.0015 16107 LEU 71 HD12 -0.0035 -0.0020 0.0015 16108 LEU 71 HD13 -0.0038 -0.0020 0.0020 16109 LEU 71 HD21 -0.0042 -0.0027 0.0019 16110 LEU 71 HD22 -0.0037 -0.0023 0.0015 16111 LEU 71 HD23 -0.0040 -0.0028 0.0014 16112 VAL 72 N -0.0034 -0.0011 0.0026 16113 VAL 72 CA -0.0031 -0.0006 0.0027 16114 VAL 72 C -0.0028 -0.0002 0.0025 16115 VAL 72 O -0.0028 -0.0004 0.0022 16116 VAL 72 CB -0.0029 -0.0005 0.0024 16117 VAL 72 CG1 -0.0026 -0.0004 0.0019 16118 VAL 72 CG2 -0.0028 -0.0001 0.0028 16119 VAL 72 H -0.0034 -0.0013 0.0022 16120 VAL 72 HA -0.0032 -0.0004 0.0031 16121 VAL 72 HB -0.0031 -0.0009 0.0024 16122 VAL 72 HG11 -0.0025 -0.0004 0.0017 16123 VAL 72 HG12 -0.0023 -0.0000 0.0019 16124 VAL 72 HG13 -0.0026 -0.0006 0.0016 16125 VAL 72 HG21 -0.0026 0.0002 0.0029 16126 VAL 72 HG22 -0.0028 -0.0001 0.0027 16127 VAL 72 HG23 -0.0031 -0.0002 0.0032 16128 HIS 73 N -0.0028 -0.0005 0.0032 16129 HIS 73 CA -0.0024 -0.0001 0.0030 16130 HIS 73 C -0.0021 -0.0003 0.0024 16131 HIS 73 O -0.0020 -0.0003 0.0022 16132 HIS 73 CB -0.0021 0.0005 0.0032 16133 HIS 73 CG -0.0018 0.0010 0.0032 16134 HIS 73 ND1 -0.0019 0.0013 0.0037 16135 HIS 73 CD2 -0.0013 0.0013 0.0028 16136 HIS 73 CE1 -0.0015 0.0017 0.0035 16137 HIS 73 NE2 -0.0012 0.0017 0.0030 16138 HIS 73 H -0.0029 -0.0004 0.0035 16139 HIS 73 HA -0.0025 -0.0000 0.0033 16140 HIS 73 HB2 -0.0023 0.0006 0.0036 16141 HIS 73 HB3 -0.0019 0.0004 0.0028 16142 HIS 73 HD1 -0.0022 0.0012 0.0040 16143 HIS 73 HD2 -0.0011 0.0012 0.0024 16144 HIS 73 HE1 -0.0015 0.0020 0.0038 16145 THR 74 N -0.0020 -0.0004 0.0020 16146 THR 74 CA -0.0017 -0.0006 0.0014 16147 THR 74 C -0.0019 -0.0011 0.0011 16148 THR 74 O -0.0017 -0.0013 0.0007 16149 THR 74 CB -0.0015 -0.0005 0.0011 16150 THR 74 OG1 -0.0018 -0.0010 0.0011 16151 THR 74 CG2 -0.0013 0.0000 0.0014 16152 THR 74 H -0.0021 -0.0004 0.0022 16153 THR 74 HA -0.0014 -0.0002 0.0013 16154 THR 74 HB -0.0012 -0.0005 0.0006 16155 THR 74 HG1 -0.0018 -0.0013 0.0007 16156 THR 74 HG21 -0.0010 0.0004 0.0013 16157 THR 74 HG22 -0.0013 -0.0000 0.0013 16158 THR 74 HG23 -0.0016 0.0001 0.0019 16159 GLU 75 N -0.0024 -0.0015 0.0015 16160 GLU 75 CA -0.0026 -0.0021 0.0012 16161 GLU 75 C -0.0026 -0.0021 0.0012 16162 GLU 75 O -0.0026 -0.0024 0.0008 16163 GLU 75 CB -0.0031 -0.0025 0.0016 16164 GLU 75 CG -0.0032 -0.0027 0.0014 16165 GLU 75 CD -0.0036 -0.0031 0.0018 16166 GLU 75 OE1 -0.0038 -0.0028 0.0022 16167 GLU 75 OE2 -0.0039 -0.0036 0.0016 16168 GLU 75 H -0.0025 -0.0014 0.0018 16169 GLU 75 HA -0.0025 -0.0023 0.0008 16170 GLU 75 HB2 -0.0032 -0.0022 0.0021 16171 GLU 75 HB3 -0.0033 -0.0028 0.0016 16172 GLU 75 HG2 -0.0031 -0.0030 0.0009 16173 GLU 75 HG3 -0.0030 -0.0024 0.0014 16174 VAL 76 N -0.0027 -0.0017 0.0017 16175 VAL 76 CA -0.0026 -0.0017 0.0017 16176 VAL 76 C -0.0022 -0.0014 0.0012 16177 VAL 76 O -0.0021 -0.0016 0.0009 16178 VAL 76 CB -0.0028 -0.0013 0.0023 16179 VAL 76 CG1 -0.0033 -0.0017 0.0027 16180 VAL 76 CG2 -0.0025 -0.0007 0.0025 16181 VAL 76 H -0.0027 -0.0015 0.0020 16182 VAL 76 HA -0.0029 -0.0021 0.0016 16183 VAL 76 HB -0.0027 -0.0012 0.0022 16184 VAL 76 HG11 -0.0034 -0.0018 0.0028 16185 VAL 76 HG12 -0.0034 -0.0020 0.0026 16186 VAL 76 HG13 -0.0034 -0.0014 0.0031 16187 VAL 76 HG21 -0.0024 -0.0008 0.0023 16188 VAL 76 HG22 -0.0028 -0.0007 0.0030 16189 VAL 76 HG23 -0.0023 -0.0004 0.0025 16190 VAL 77 N -0.0018 -0.0010 0.0012 16191 VAL 77 CA -0.0014 -0.0007 0.0007 16192 VAL 77 C -0.0013 -0.0011 0.0001 16193 VAL 77 O -0.0011 -0.0012 -0.0002 16194 VAL 77 CB -0.0011 -0.0002 0.0007 16195 VAL 77 CG1 -0.0006 0.0001 0.0003 16196 VAL 77 CG2 -0.0012 0.0002 0.0014 16197 VAL 77 H -0.0019 -0.0008 0.0015 16198 VAL 77 HA -0.0013 -0.0005 0.0008 16199 VAL 77 HB -0.0011 -0.0004 0.0006 16200 VAL 77 HG11 -0.0004 0.0004 0.0003 16201 VAL 77 HG12 -0.0005 0.0003 0.0004 16202 VAL 77 HG13 -0.0005 -0.0002 -0.0001 16203 VAL 77 HG21 -0.0014 0.0000 0.0016 16204 VAL 77 HG22 -0.0012 0.0003 0.0016 16205 VAL 77 HG23 -0.0009 0.0006 0.0013 16206 GLU 78 N -0.0015 -0.0015 -0.0000 16207 GLU 78 CA -0.0014 -0.0019 -0.0006 16208 GLU 78 C -0.0017 -0.0024 -0.0006 16209 GLU 78 O -0.0015 -0.0025 -0.0011 16210 GLU 78 CB -0.0016 -0.0022 -0.0006 16211 GLU 78 CG -0.0013 -0.0019 -0.0007 16212 GLU 78 CD -0.0014 -0.0022 -0.0008 16213 GLU 78 OE1 -0.0017 -0.0027 -0.0010 16214 GLU 78 OE2 -0.0013 -0.0019 -0.0007 16215 GLU 78 H -0.0016 -0.0014 0.0003 16216 GLU 78 HA -0.0011 -0.0017 -0.0009 16217 GLU 78 HB2 -0.0019 -0.0023 -0.0002 16218 GLU 78 HB3 -0.0017 -0.0026 -0.0009 16219 GLU 78 HG2 -0.0010 -0.0018 -0.0011 16220 GLU 78 HG3 -0.0013 -0.0015 -0.0004 16221 LEU 79 N -0.0016 -0.0036 -0.0000 16222 LEU 79 CA -0.0018 -0.0041 -0.0001 16223 LEU 79 C -0.0014 -0.0038 -0.0004 16224 LEU 79 O -0.0013 -0.0042 -0.0008 16225 LEU 79 CB -0.0023 -0.0041 0.0006 16226 LEU 79 CG -0.0027 -0.0049 0.0006 16227 LEU 79 CD1 -0.0025 -0.0052 0.0002 16228 LEU 79 CD2 -0.0028 -0.0054 0.0005 16229 LEU 79 H -0.0019 -0.0034 0.0004 16230 LEU 79 HA -0.0018 -0.0046 -0.0004 16231 LEU 79 HB2 -0.0024 -0.0039 0.0009 16232 LEU 79 HB3 -0.0022 -0.0038 0.0007 16233 LEU 79 HG -0.0030 -0.0049 0.0011 16234 LEU 79 HD11 -0.0021 -0.0053 -0.0003 16235 LEU 79 HD12 -0.0024 -0.0049 0.0003 16236 LEU 79 HD13 -0.0027 -0.0057 0.0002 16237 LEU 79 HD21 -0.0026 -0.0051 0.0004 16238 LEU 79 HD22 -0.0027 -0.0058 0.0001 16239 LEU 79 HD23 -0.0032 -0.0056 0.0009 16240 ILE 80 N -0.0012 -0.0031 -0.0003 16241 ILE 80 CA -0.0009 -0.0027 -0.0006 16242 ILE 80 C -0.0004 -0.0027 -0.0012 16243 ILE 80 O -0.0002 -0.0030 -0.0017 16244 ILE 80 CB -0.0008 -0.0019 -0.0002 16245 ILE 80 CG1 -0.0013 -0.0019 0.0004 16246 ILE 80 CG2 -0.0004 -0.0015 -0.0005 16247 ILE 80 CD1 -0.0014 -0.0013 0.0010 16248 ILE 80 H -0.0013 -0.0028 0.0000 16249 ILE 80 HA -0.0010 -0.0030 -0.0005 16250 ILE 80 HB -0.0008 -0.0017 -0.0001 16251 ILE 80 HG12 -0.0012 -0.0019 0.0004 16252 ILE 80 HG13 -0.0016 -0.0024 0.0006 16253 ILE 80 HG21 -0.0003 -0.0018 -0.0008 16254 ILE 80 HG22 -0.0000 -0.0014 -0.0009 16255 ILE 80 HG23 -0.0004 -0.0010 -0.0002 16256 ILE 80 HD11 -0.0017 -0.0013 0.0014 16257 ILE 80 HD12 -0.0011 -0.0008 0.0008 16258 ILE 80 HD13 -0.0014 -0.0013 0.0010 16259 LEU 81 N -0.0002 -0.0025 -0.0014 16260 LEU 81 CA 0.0003 -0.0025 -0.0020 16261 LEU 81 C 0.0003 -0.0032 -0.0024 16262 LEU 81 O 0.0006 -0.0033 -0.0030 16263 LEU 81 CB 0.0004 -0.0022 -0.0020 16264 LEU 81 CG 0.0005 -0.0014 -0.0016 16265 LEU 81 CD1 0.0005 -0.0012 -0.0016 16266 LEU 81 CD2 0.0009 -0.0009 -0.0020 16267 LEU 81 H -0.0004 -0.0023 -0.0010 16268 LEU 81 HA 0.0006 -0.0021 -0.0022 16269 LEU 81 HB2 0.0001 -0.0025 -0.0018 16270 LEU 81 HB3 0.0007 -0.0022 -0.0025 16271 LEU 81 HG 0.0002 -0.0013 -0.0012 16272 LEU 81 HD11 0.0002 -0.0015 -0.0013 16273 LEU 81 HD12 0.0006 -0.0006 -0.0013 16274 LEU 81 HD13 0.0008 -0.0013 -0.0020 16275 LEU 81 HD21 0.0010 -0.0004 -0.0017 16276 LEU 81 HD22 0.0009 -0.0010 -0.0020 16277 LEU 81 HD23 0.0012 -0.0010 -0.0024 16278 LYS 82 N -0.0001 -0.0038 -0.0022 16279 LYS 82 CA -0.0002 -0.0045 -0.0025 16280 LYS 82 C -0.0001 -0.0048 -0.0028 16281 LYS 82 O 0.0001 -0.0052 -0.0033 16282 LYS 82 CB -0.0007 -0.0050 -0.0021 16283 LYS 82 CG -0.0008 -0.0057 -0.0024 16284 LYS 82 CD -0.0013 -0.0063 -0.0021 16285 LYS 82 CE -0.0017 -0.0062 -0.0015 16286 LYS 82 NZ -0.0022 -0.0068 -0.0012 16287 LYS 82 H -0.0004 -0.0036 -0.0017 16288 LYS 82 HA 0.0000 -0.0046 -0.0029 16289 LYS 82 HB2 -0.0008 -0.0047 -0.0018 16290 LYS 82 HB3 -0.0010 -0.0050 -0.0018 16291 LYS 82 HG2 -0.0005 -0.0059 -0.0029 16292 LYS 82 HG3 -0.0007 -0.0057 -0.0025 16293 LYS 82 HD2 -0.0014 -0.0062 -0.0019 16294 LYS 82 HD3 -0.0013 -0.0068 -0.0024 16295 LYS 82 HE2 -0.0015 -0.0061 -0.0016 16296 LYS 82 HE3 -0.0017 -0.0057 -0.0011 16297 LYS 82 HZ1 -0.0021 -0.0072 -0.0015 16298 LYS 82 HZ2 -0.0023 -0.0069 -0.0011 16299 LYS 82 HZ3 -0.0024 -0.0067 -0.0008 16300 SER 83 N -0.0003 -0.0045 -0.0024 16301 SER 83 CA -0.0003 -0.0047 -0.0026 16302 SER 83 C 0.0003 -0.0045 -0.0032 16303 SER 83 O 0.0004 -0.0049 -0.0036 16304 SER 83 CB -0.0005 -0.0043 -0.0020 16305 SER 83 OG -0.0005 -0.0045 -0.0022 16306 SER 83 H -0.0005 -0.0042 -0.0020 16307 SER 83 HA -0.0005 -0.0053 -0.0026 16308 SER 83 HB2 -0.0009 -0.0044 -0.0016 16309 SER 83 HB3 -0.0003 -0.0037 -0.0020 16310 SER 83 HG -0.0002 -0.0041 -0.0023 16311 GLY 84 N 0.0006 -0.0039 -0.0033 16312 GLY 84 CA 0.0011 -0.0037 -0.0039 16313 GLY 84 C 0.0014 -0.0030 -0.0038 16314 GLY 84 O 0.0013 -0.0025 -0.0034 16315 GLY 84 H 0.0005 -0.0036 -0.0030 16316 GLY 84 HA2 0.0013 -0.0037 -0.0042 16317 GLY 84 HA3 0.0011 -0.0041 -0.0041 16318 ASN 85 N 0.0019 -0.0033 -0.0040 16319 ASN 85 CA 0.0021 -0.0025 -0.0041 16320 ASN 85 C 0.0018 -0.0023 -0.0036 16321 ASN 85 O 0.0019 -0.0017 -0.0036 16322 ASN 85 CB 0.0026 -0.0025 -0.0048 16323 ASN 85 CG 0.0026 -0.0032 -0.0050 16324 ASN 85 OD1 0.0022 -0.0037 -0.0046 16325 ASN 85 ND2 0.0030 -0.0033 -0.0057 16326 ASN 85 H 0.0020 -0.0037 -0.0043 16327 ASN 85 HA 0.0021 -0.0020 -0.0040 16328 ASN 85 HB2 0.0027 -0.0020 -0.0048 16329 ASN 85 HB3 0.0028 -0.0025 -0.0051 16330 ASN 85 HD21 0.0033 -0.0030 -0.0059 16331 ASN 85 HD22 0.0031 -0.0038 -0.0059 16332 LYS 86 N 0.0014 -0.0028 -0.0031 16333 LYS 86 CA 0.0010 -0.0027 -0.0026 16334 LYS 86 C 0.0006 -0.0031 -0.0021 16335 LYS 86 O 0.0005 -0.0036 -0.0021 16336 LYS 86 CB 0.0012 -0.0029 -0.0029 16337 LYS 86 CG 0.0013 -0.0037 -0.0033 16338 LYS 86 CD 0.0013 -0.0040 -0.0034 16339 LYS 86 CE 0.0014 -0.0048 -0.0038 16340 LYS 86 NZ 0.0011 -0.0054 -0.0035 16341 LYS 86 H 0.0013 -0.0033 -0.0031 16342 LYS 86 HA 0.0010 -0.0021 -0.0025 16343 LYS 86 HB2 0.0009 -0.0029 -0.0025 16344 LYS 86 HB3 0.0015 -0.0025 -0.0032 16345 LYS 86 HG2 0.0017 -0.0036 -0.0038 16346 LYS 86 HG3 0.0011 -0.0041 -0.0031 16347 LYS 86 HD2 0.0009 -0.0041 -0.0029 16348 LYS 86 HD3 0.0015 -0.0036 -0.0036 16349 LYS 86 HE2 0.0014 -0.0049 -0.0038 16350 LYS 86 HE3 0.0018 -0.0047 -0.0043 16351 LYS 86 HZ1 0.0012 -0.0060 -0.0037 16352 LYS 86 HZ2 0.0008 -0.0054 -0.0030 16353 LYS 86 HZ3 0.0012 -0.0054 -0.0037 16354 VAL 87 N 0.0002 -0.0030 -0.0015 16355 VAL 87 CA -0.0003 -0.0034 -0.0010 16356 VAL 87 C -0.0006 -0.0033 -0.0005 16357 VAL 87 O -0.0005 -0.0027 -0.0004 16358 VAL 87 CB -0.0005 -0.0031 -0.0006 16359 VAL 87 CG1 -0.0005 -0.0022 -0.0003 16360 VAL 87 CG2 -0.0009 -0.0036 -0.0000 16361 VAL 87 H 0.0003 -0.0026 -0.0016 16362 VAL 87 HA -0.0003 -0.0040 -0.0011 16363 VAL 87 HB -0.0002 -0.0031 -0.0009 16364 VAL 87 HG11 -0.0007 -0.0021 0.0001 16365 VAL 87 HG12 -0.0006 -0.0022 -0.0000 16366 VAL 87 HG13 -0.0001 -0.0019 -0.0007 16367 VAL 87 HG21 -0.0011 -0.0037 0.0002 16368 VAL 87 HG22 -0.0011 -0.0033 0.0003 16369 VAL 87 HG23 -0.0009 -0.0041 -0.0003 16370 ALA 88 N -0.0009 -0.0039 -0.0001 16371 ALA 88 CA -0.0013 -0.0039 0.0003 16372 ALA 88 C -0.0017 -0.0037 0.0010 16373 ALA 88 O -0.0020 -0.0042 0.0014 16374 ALA 88 CB -0.0014 -0.0048 0.0003 16375 ALA 88 H -0.0010 -0.0044 -0.0002 16376 ALA 88 HA -0.0011 -0.0035 0.0002 16377 ALA 88 HB1 -0.0011 -0.0049 -0.0002 16378 ALA 88 HB2 -0.0016 -0.0048 0.0007 16379 ALA 88 HB3 -0.0015 -0.0052 0.0004 16380 ILE 89 N -0.0017 -0.0029 0.0012 16381 ILE 89 CA -0.0021 -0.0026 0.0019 16382 ILE 89 C -0.0024 -0.0027 0.0024 16383 ILE 89 O -0.0023 -0.0024 0.0023 16384 ILE 89 CB -0.0020 -0.0018 0.0020 16385 ILE 89 CG1 -0.0024 -0.0014 0.0027 16386 ILE 89 CG2 -0.0016 -0.0013 0.0016 16387 ILE 89 CD1 -0.0023 -0.0006 0.0028 16388 ILE 89 H -0.0014 -0.0026 0.0010 16389 ILE 89 HA -0.0023 -0.0030 0.0021 16390 ILE 89 HB -0.0018 -0.0018 0.0017 16391 ILE 89 HG12 -0.0025 -0.0013 0.0029 16392 ILE 89 HG13 -0.0027 -0.0018 0.0030 16393 ILE 89 HG21 -0.0013 -0.0015 0.0011 16394 ILE 89 HG22 -0.0015 -0.0007 0.0017 16395 ILE 89 HG23 -0.0017 -0.0013 0.0017 16396 ILE 89 HD11 -0.0026 -0.0004 0.0033 16397 ILE 89 HD12 -0.0020 -0.0002 0.0024 16398 ILE 89 HD13 -0.0023 -0.0007 0.0027 16399 SER 90 N -0.0029 -0.0032 0.0029 16400 SER 90 CA -0.0032 -0.0033 0.0033 16401 SER 90 C -0.0035 -0.0028 0.0040 16402 SER 90 O -0.0038 -0.0028 0.0043 16403 SER 90 CB -0.0035 -0.0042 0.0035 16404 SER 90 OG -0.0035 -0.0045 0.0035 16405 SER 90 H -0.0029 -0.0034 0.0029 16406 SER 90 HA -0.0030 -0.0032 0.0031 16407 SER 90 HB2 -0.0033 -0.0045 0.0031 16408 SER 90 HB3 -0.0038 -0.0042 0.0040 16409 SER 90 HG -0.0034 -0.0042 0.0034 16410 THR 91 N -0.0027 -0.0003 0.0055 16411 THR 91 CA -0.0029 -0.0013 0.0036 16412 THR 91 C -0.0013 -0.0008 0.0019 16413 THR 91 O 0.0000 0.0003 0.0022 16414 THR 91 CB -0.0045 -0.0029 0.0030 16415 THR 91 OG1 -0.0043 -0.0029 0.0026 16416 THR 91 CG2 -0.0062 -0.0035 0.0047 16417 THR 91 H -0.0027 -0.0003 0.0056 16418 THR 91 HA -0.0031 -0.0014 0.0039 16419 THR 91 HB -0.0047 -0.0036 0.0016 16420 THR 91 HG1 -0.0045 -0.0037 0.0012 16421 THR 91 HG21 -0.0061 -0.0027 0.0061 16422 THR 91 HG22 -0.0065 -0.0036 0.0048 16423 THR 91 HG23 -0.0073 -0.0045 0.0042 16424 THR 92 N -0.0012 -0.0016 0.0001 16425 THR 92 CA 0.0003 -0.0012 -0.0016 16426 THR 92 C 0.0000 -0.0022 -0.0034 16427 THR 92 O -0.0008 -0.0034 -0.0045 16428 THR 92 CB 0.0011 -0.0010 -0.0024 16429 THR 92 OG1 0.0025 -0.0007 -0.0042 16430 THR 92 CG2 -0.0004 -0.0023 -0.0029 16431 THR 92 H -0.0023 -0.0026 -0.0001 16432 THR 92 HA 0.0014 -0.0001 -0.0010 16433 THR 92 HB 0.0015 -0.0001 -0.0013 16434 THR 92 HG1 0.0020 -0.0016 -0.0054 16435 THR 92 HG21 -0.0010 -0.0033 -0.0039 16436 THR 92 HG22 -0.0014 -0.0025 -0.0015 16437 THR 92 HG23 0.0002 -0.0022 -0.0036 16438 PRO 93 N 0.0007 -0.0018 -0.0035 16439 PRO 93 CA 0.0005 -0.0026 -0.0051 16440 PRO 93 C 0.0013 -0.0031 -0.0073 16441 PRO 93 O 0.0020 -0.0026 -0.0076 16442 PRO 93 CB 0.0017 -0.0016 -0.0048 16443 PRO 93 CG 0.0018 -0.0006 -0.0027 16444 PRO 93 CD 0.0016 -0.0004 -0.0021 16445 PRO 93 HA -0.0008 -0.0036 -0.0049 16446 PRO 93 HB2 0.0030 -0.0011 -0.0059 16447 PRO 93 HB3 0.0010 -0.0023 -0.0051 16448 PRO 93 HG2 0.0030 0.0005 -0.0025 16449 PRO 93 HG3 0.0007 -0.0010 -0.0017 16450 PRO 93 HD2 0.0029 0.0005 -0.0023 16451 PRO 93 HD3 0.0009 -0.0003 -0.0005 16452 LEU 94 N 0.0010 -0.0039 -0.0088 16453 LEU 94 CA 0.0016 -0.0045 -0.0109 16454 LEU 94 C 0.0036 -0.0032 -0.0117 16455 LEU 94 O 0.0046 -0.0020 -0.0107 16456 LEU 94 CB 0.0010 -0.0056 -0.0123 16457 LEU 94 CG 0.0001 -0.0058 -0.0112 16458 LEU 94 CD1 0.0014 -0.0045 -0.0107 16459 LEU 94 CD2 -0.0009 -0.0072 -0.0125 16460 LEU 94 H 0.0004 -0.0043 -0.0085 16461 LEU 94 HA 0.0011 -0.0050 -0.0111 16462 LEU 94 HB2 0.0021 -0.0053 -0.0135 16463 LEU 94 HB3 0.0000 -0.0066 -0.0130 16464 LEU 94 HG -0.0009 -0.0059 -0.0098 16465 LEU 94 HD11 0.0017 -0.0036 -0.0093 16466 LEU 94 HD12 0.0010 -0.0048 -0.0105 16467 LEU 94 HD13 0.0026 -0.0041 -0.0119 16468 LEU 94 HD21 -0.0015 -0.0073 -0.0118 16469 LEU 94 HD22 -0.0020 -0.0081 -0.0128 16470 LEU 94 HD23 -0.0000 -0.0071 -0.0140 16471 GLU 95 N 0.0043 -0.0035 -0.0134 16472 GLU 95 CA 0.0062 -0.0024 -0.0143 16473 GLU 95 C 0.0066 -0.0031 -0.0165 16474 GLU 95 O 0.0054 -0.0043 -0.0172 16475 GLU 95 CB 0.0070 -0.0012 -0.0131 16476 GLU 95 CG 0.0066 -0.0018 -0.0135 16477 GLU 95 CD 0.0048 -0.0025 -0.0122 16478 GLU 95 OE1 0.0045 -0.0019 -0.0103 16479 GLU 95 OE2 0.0037 -0.0038 -0.0130 16480 GLU 95 H 0.0035 -0.0045 -0.0141 16481 GLU 95 HA 0.0068 -0.0018 -0.0141 16482 GLU 95 HB2 0.0084 -0.0003 -0.0135 16483 GLU 95 HB3 0.0065 -0.0009 -0.0115 16484 GLU 95 HG2 0.0065 -0.0026 -0.0151 16485 GLU 95 HG3 0.0076 -0.0009 -0.0133 16486 ASN 96 N 0.0082 -0.0024 -0.0177 16487 ASN 96 CA 0.0087 -0.0030 -0.0199 16488 ASN 96 C 0.0092 -0.0028 -0.0202 16489 ASN 96 O 0.0097 -0.0018 -0.0188 16490 ASN 96 CB 0.0102 -0.0023 -0.0210 16491 ASN 96 CG 0.0119 -0.0007 -0.0202 16492 ASN 96 OD1 0.0129 -0.0001 -0.0207 16493 ASN 96 ND2 0.0122 0.0001 -0.0190 16494 ASN 96 OXT 0.0091 -0.0036 -0.0219 16495 ASN 96 H 0.0090 -0.0015 -0.0170 16496 ASN 96 HA 0.0076 -0.0042 -0.0205 16497 ASN 96 HB2 0.0106 -0.0028 -0.0226 16498 ASN 96 HB3 0.0098 -0.0026 -0.0208 16499 ASN 96 HD21 0.0114 -0.0004 -0.0187 16500 ASN 96 HD22 0.0132 0.0012 -0.0184 16501 SER 101 N 0.0032 -0.0044 0.0109 16502 SER 101 CA 0.0043 -0.0033 0.0093 16503 SER 101 C 0.0040 -0.0030 0.0091 16504 SER 101 O 0.0023 -0.0026 0.0090 16505 SER 101 CB 0.0035 -0.0020 0.0079 16506 SER 101 OG 0.0031 -0.0023 0.0084 16507 SER 101 H1 0.0016 -0.0041 0.0110 16508 SER 101 H2 0.0039 -0.0054 0.0119 16509 SER 101 H3 0.0032 -0.0045 0.0110 16510 SER 101 HA 0.0060 -0.0037 0.0093 16511 SER 101 HB2 0.0021 -0.0014 0.0076 16512 SER 101 HB3 0.0047 -0.0014 0.0068 16513 SER 101 HG 0.0032 -0.0015 0.0074 16514 TRP 102 N 0.0058 -0.0034 0.0089 16515 TRP 102 CA 0.0057 -0.0032 0.0087 16516 TRP 102 C 0.0080 -0.0035 0.0084 16517 TRP 102 O 0.0091 -0.0047 0.0096 16518 TRP 102 CB 0.0044 -0.0041 0.0102 16519 TRP 102 CG 0.0041 -0.0038 0.0099 16520 TRP 102 CD1 0.0049 -0.0029 0.0086 16521 TRP 102 CD2 0.0029 -0.0044 0.0111 16522 TRP 102 NE1 0.0043 -0.0029 0.0089 16523 TRP 102 CE2 0.0030 -0.0039 0.0103 16524 TRP 102 CE3 0.0017 -0.0054 0.0126 16525 TRP 102 CZ2 0.0020 -0.0043 0.0111 16526 TRP 102 CZ3 0.0006 -0.0058 0.0134 16527 TRP 102 CH2 0.0008 -0.0053 0.0126 16528 TRP 102 H 0.0071 -0.0038 0.0090 16529 TRP 102 HA 0.0051 -0.0021 0.0076 16530 TRP 102 HB2 0.0029 -0.0039 0.0104 16531 TRP 102 HB3 0.0052 -0.0051 0.0112 16532 TRP 102 HD1 0.0059 -0.0022 0.0075 16533 TRP 102 HE1 0.0047 -0.0024 0.0081 16534 TRP 102 HE3 0.0015 -0.0059 0.0132 16535 TRP 102 HZ2 0.0021 -0.0039 0.0106 16536 TRP 102 HZ3 -0.0003 -0.0066 0.0146 16537 TRP 102 HH2 -0.0000 -0.0056 0.0133 16538 GLU 103 N 0.0087 -0.0024 0.0070 16539 GLU 103 CA 0.0107 -0.0026 0.0066 16540 GLU 103 C 0.0107 -0.0030 0.0071 16541 GLU 103 O 0.0111 -0.0043 0.0085 16542 GLU 103 CB 0.0116 -0.0013 0.0048 16543 GLU 103 CG 0.0118 -0.0009 0.0042 16544 GLU 103 CD 0.0130 0.0003 0.0024 16545 GLU 103 OE1 0.0150 -0.0000 0.0023 16546 GLU 103 OE2 0.0120 0.0015 0.0013 16547 GLU 103 H 0.0077 -0.0015 0.0061 16548 GLU 103 HA 0.0117 -0.0034 0.0073 16549 GLU 103 HB2 0.0105 -0.0004 0.0041 16550 GLU 103 HB3 0.0131 -0.0014 0.0045 16551 GLU 103 HG2 0.0126 -0.0017 0.0050 16552 GLU 103 HG3 0.0103 -0.0005 0.0042 16553 SER 104 N 0.0101 -0.0020 0.0060 16554 SER 104 CA 0.0100 -0.0022 0.0064 16555 SER 104 C 0.0081 -0.0012 0.0057 16556 SER 104 O 0.0067 -0.0007 0.0054 16557 SER 104 CB 0.0120 -0.0020 0.0056 16558 SER 104 OG 0.0138 -0.0027 0.0058 16559 SER 104 H 0.0099 -0.0010 0.0050 16560 SER 104 HA 0.0098 -0.0033 0.0077 16561 SER 104 HB2 0.0120 -0.0009 0.0042 16562 SER 104 HB3 0.0120 -0.0025 0.0061 16563 SER 104 HG 0.0134 -0.0031 0.0064 16564 HIS 105 N 0.0080 -0.0011 0.0055 16565 HIS 105 CA 0.0063 -0.0001 0.0049 16566 HIS 105 C 0.0070 0.0011 0.0032 16567 HIS 105 O 0.0078 0.0010 0.0031 16568 HIS 105 CB 0.0052 -0.0009 0.0061 16569 HIS 105 CG 0.0035 0.0000 0.0055 16570 HIS 105 ND1 0.0025 0.0013 0.0043 16571 HIS 105 CD2 0.0027 -0.0001 0.0059 16572 HIS 105 CE1 0.0011 0.0019 0.0040 16573 HIS 105 NE2 0.0012 0.0010 0.0050 16574 HIS 105 H 0.0092 -0.0016 0.0058 16575 HIS 105 HA 0.0051 0.0003 0.0047 16576 HIS 105 HB2 0.0045 -0.0017 0.0073 16577 HIS 105 HB3 0.0064 -0.0014 0.0064 16578 HIS 105 HD2 0.0032 -0.0010 0.0069 16579 HIS 105 HE1 0.0001 0.0029 0.0031 16580 HIS 105 HE2 0.0007 0.0013 0.0048 16581 LYS 106 N 0.0067 0.0023 0.0019 16582 LYS 106 CA 0.0073 0.0035 0.0002 16583 LYS 106 C 0.0054 0.0048 -0.0007 16584 LYS 106 O 0.0057 0.0060 -0.0022 16585 LYS 106 CB 0.0092 0.0038 -0.0006 16586 LYS 106 CG 0.0112 0.0027 0.0000 16587 LYS 106 CD 0.0132 0.0032 -0.0011 16588 LYS 106 CE 0.0151 0.0022 -0.0005 16589 LYS 106 NZ 0.0154 0.0008 0.0011 16590 LYS 106 H 0.0061 0.0023 0.0021 16591 LYS 106 HA 0.0076 0.0034 0.0003 16592 LYS 106 HB2 0.0090 0.0037 -0.0005 16593 LYS 106 HB3 0.0094 0.0048 -0.0019 16594 LYS 106 HG2 0.0113 0.0026 0.0001 16595 LYS 106 HG3 0.0112 0.0018 0.0012 16596 LYS 106 HD2 0.0131 0.0033 -0.0012 16597 LYS 106 HD3 0.0132 0.0042 -0.0023 16598 LYS 106 HE2 0.0165 0.0026 -0.0014 16599 LYS 106 HE3 0.0151 0.0021 -0.0003 16600 LYS 106 HZ1 0.0168 0.0002 0.0015 16601 LYS 106 HZ2 0.0154 0.0009 0.0010 16602 LYS 106 HZ3 0.0141 0.0004 0.0020 16603 SER 107 N 0.0003 0.0021 0.0033 16604 SER 107 CA 0.0002 0.0019 0.0031 16605 SER 107 C 0.0002 0.0020 0.0028 16606 SER 107 O 0.0001 0.0019 0.0026 16607 SER 107 CB 0.0000 0.0017 0.0032 16608 SER 107 OG 0.0001 0.0017 0.0035 16609 SER 107 H 0.0003 0.0021 0.0033 16610 SER 107 HA 0.0002 0.0019 0.0031 16611 SER 107 HB2 -0.0000 0.0017 0.0030 16612 SER 107 HB3 -0.0001 0.0016 0.0032 16613 SER 107 HG 0.0001 0.0017 0.0034 16614 GLY 108 N 0.0003 0.0022 0.0027 16615 GLY 108 CA 0.0004 0.0023 0.0024 16616 GLY 108 C 0.0005 0.0024 0.0025 16617 GLY 108 O 0.0006 0.0025 0.0027 16618 GLY 108 H 0.0004 0.0023 0.0029 16619 GLY 108 HA2 0.0004 0.0023 0.0023 16620 GLY 108 HA3 0.0002 0.0021 0.0023 16621 GLY 109 N 0.0005 0.0025 0.0022 16622 GLY 109 CA 0.0006 0.0026 0.0022 16623 GLY 109 C 0.0006 0.0025 0.0023 16624 GLY 109 O 0.0005 0.0024 0.0025 16625 GLY 109 H 0.0004 0.0024 0.0021 16626 GLY 109 HA2 0.0008 0.0028 0.0024 16627 GLY 109 HA3 0.0007 0.0027 0.0020 16628 GLU 110 N 0.0006 0.0026 0.0022 16629 GLU 110 CA 0.0006 0.0025 0.0022 16630 GLU 110 C 0.0005 0.0025 0.0020 16631 GLU 110 O 0.0005 0.0025 0.0019 16632 GLU 110 CB 0.0007 0.0027 0.0024 16633 GLU 110 CG 0.0008 0.0027 0.0027 16634 GLU 110 CD 0.0010 0.0029 0.0028 16635 GLU 110 OE1 0.0011 0.0031 0.0027 16636 GLU 110 OE2 0.0010 0.0029 0.0029 16637 GLU 110 H 0.0007 0.0027 0.0020 16638 GLU 110 HA 0.0005 0.0024 0.0024 16639 GLU 110 HB2 0.0008 0.0029 0.0023 16640 GLU 110 HB3 0.0007 0.0026 0.0024 16641 GLU 110 HG2 0.0007 0.0026 0.0028 16642 GLU 110 HG3 0.0008 0.0028 0.0026 16643 THR 111 N 0.0004 0.0024 0.0018 16644 THR 111 CA 0.0003 0.0023 0.0015 16645 THR 111 C 0.0002 0.0021 0.0016 16646 THR 111 O 0.0000 0.0020 0.0016 16647 THR 111 CB 0.0002 0.0023 0.0013 16648 THR 111 OG1 0.0004 0.0025 0.0013 16649 THR 111 CG2 0.0002 0.0023 0.0010 16650 THR 111 H 0.0004 0.0024 0.0018 16651 THR 111 HA 0.0004 0.0025 0.0014 16652 THR 111 HB 0.0001 0.0021 0.0014 16653 THR 111 HG1 0.0005 0.0026 0.0013 16654 THR 111 HG21 0.0001 0.0022 0.0009 16655 THR 111 HG22 0.0003 0.0024 0.0009 16656 THR 111 HG23 0.0001 0.0022 0.0010 16657 ARG 112 N 0.0002 0.0022 0.0015 16658 ARG 112 CA 0.0001 0.0020 0.0016 16659 ARG 112 C -0.0000 0.0019 0.0013 16660 ARG 112 O 0.0000 0.0020 0.0011 16661 ARG 112 CB 0.0002 0.0021 0.0017 16662 ARG 112 CG 0.0003 0.0023 0.0016 16663 ARG 112 CD 0.0003 0.0023 0.0016 16664 ARG 112 NE 0.0002 0.0022 0.0015 16665 ARG 112 CZ 0.0001 0.0021 0.0015 16666 ARG 112 NH1 0.0003 0.0022 0.0017 16667 ARG 112 NH2 0.0000 0.0020 0.0014 16668 ARG 112 H 0.0003 0.0023 0.0015 16669 ARG 112 HA -0.0000 0.0019 0.0017 16670 ARG 112 HB2 0.0001 0.0020 0.0018 16671 ARG 112 HB3 0.0002 0.0021 0.0020 16672 ARG 112 HG2 0.0004 0.0025 0.0017 16673 ARG 112 HG3 0.0003 0.0023 0.0014 16674 ARG 112 HD2 0.0003 0.0023 0.0019 16675 ARG 112 HD3 0.0004 0.0025 0.0016 16676 ARG 112 HE 0.0001 0.0021 0.0014 16677 ARG 112 HH11 0.0004 0.0024 0.0018 16678 ARG 112 HH12 0.0002 0.0022 0.0017 16679 ARG 112 HH21 -0.0001 0.0019 0.0012 16680 ARG 112 HH22 -0.0000 0.0020 0.0014 16681 LEU 113 N -0.0004 0.0012 0.0010 16682 LEU 113 CA -0.0002 0.0009 0.0005 16683 LEU 113 C 0.0002 0.0013 0.0003 16684 LEU 113 O 0.0005 0.0018 0.0003 16685 LEU 113 CB -0.0006 0.0004 0.0006 16686 LEU 113 CG -0.0009 -0.0002 0.0007 16687 LEU 113 CD1 -0.0007 -0.0005 0.0002 16688 LEU 113 CD2 -0.0012 -0.0001 0.0013 16689 LEU 113 OXT 0.0002 0.0012 0.0002 16690 LEU 113 H -0.0006 0.0013 0.0014 16691 LEU 113 HA -0.0001 0.0007 0.0002 16692 LEU 113 HB2 -0.0007 0.0006 0.0010 16693 LEU 113 HB3 -0.0004 0.0002 0.0003 16694 LEU 113 HG -0.0011 -0.0005 0.0007 16695 LEU 113 HD11 -0.0010 -0.0009 0.0003 16696 LEU 113 HD12 -0.0005 -0.0001 0.0002 16697 LEU 113 HD13 -0.0005 -0.0005 -0.0002 16698 LEU 113 HD21 -0.0015 -0.0005 0.0013 16699 LEU 113 HD22 -0.0014 0.0001 0.0016 16700 LEU 113 HD23 -0.0011 0.0002 0.0013