NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628949 | 5w8z | 30310 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -5.965 -3.281 13.051 2 H2 MET 1 HT2 MET 1 -4.394 -3.905 13.055 3 H3 MET 1 HT3 MET 1 -5.709 -4.938 13.280 4 HA MET 1 HA MET 1 -6.490 -4.531 11.060 5 HB2 MET 1 HB2 MET 1 -3.959 -2.857 10.754 6 HB3 MET 1 HB1 MET 1 -5.091 -3.251 9.463 7 HG2 MET 1 HG2 MET 1 -5.527 -1.009 10.131 8 HG3 MET 1 HG1 MET 1 -6.859 -1.994 10.737 9 HE1 MET 1 HE1 MET 1 -3.421 -0.445 13.436 10 HE2 MET 1 HE2 MET 1 -3.511 -0.095 11.712 11 HE3 MET 1 HE3 MET 1 -3.209 -1.745 12.261 12 H LYS 2 HN LYS 2 -5.339 -5.515 9.053 13 HA LYS 2 HA LYS 2 -3.416 -7.581 9.953 14 HB2 LYS 2 HB2 LYS 2 -5.419 -7.748 7.645 15 HB3 LYS 2 HB1 LYS 2 -4.338 -9.031 8.189 16 HG2 LYS 2 HG2 LYS 2 -5.569 -8.860 10.464 17 HG3 LYS 2 HG1 LYS 2 -6.769 -7.901 9.597 18 HD2 LYS 2 HD2 LYS 2 -7.554 -10.180 9.656 19 HD3 LYS 2 HD1 LYS 2 -7.067 -9.826 7.997 20 HE2 LYS 2 HE2 LYS 2 -4.879 -10.964 8.445 21 HE3 LYS 2 HE1 LYS 2 -5.463 -11.390 10.055 22 HZ1 LYS 2 HZ1 LYS 2 -6.568 -12.291 7.455 23 HZ2 LYS 2 HZ2 LYS 2 -7.311 -12.581 8.945 24 HZ3 LYS 2 HZ3 LYS 2 -5.785 -13.234 8.621 25 H LYS 3 HN LYS 3 -1.426 -7.312 9.168 26 HA LYS 3 HA LYS 3 -0.795 -5.466 7.027 27 HB2 LYS 3 HB2 LYS 3 1.050 -7.382 8.513 28 HB3 LYS 3 HB1 LYS 3 1.542 -5.989 7.553 29 HG2 LYS 3 HG2 LYS 3 0.649 -4.454 9.186 30 HG3 LYS 3 HG1 LYS 3 -0.122 -5.766 10.081 31 HD2 LYS 3 HD2 LYS 3 2.888 -5.383 9.756 32 HD3 LYS 3 HD1 LYS 3 1.953 -4.979 11.199 33 HE2 LYS 3 HE2 LYS 3 1.365 -7.346 11.510 34 HE3 LYS 3 HE1 LYS 3 2.218 -7.775 10.027 35 HZ1 LYS 3 HZ1 LYS 3 4.280 -7.064 11.044 36 HZ2 LYS 3 HZ2 LYS 3 3.530 -8.238 12.000 37 HZ3 LYS 3 HZ3 LYS 3 3.462 -6.616 12.451 38 H ILE 4 HN ILE 4 -1.131 -6.142 4.974 39 HA ILE 4 HA ILE 4 -0.374 -8.883 4.149 40 HB ILE 4 HB ILE 4 -1.856 -6.778 2.521 41 HG12 ILE 4 HG12 ILE 4 -2.975 -9.071 4.198 42 HG13 ILE 4 HG11 ILE 4 -3.310 -7.351 4.384 43 HG21 ILE 4 HG21 ILE 4 -0.698 -8.476 1.142 44 HG22 ILE 4 HG22 ILE 4 -2.449 -8.591 0.986 45 HG23 ILE 4 HG23 ILE 4 -1.574 -9.759 1.986 46 HD11 ILE 4 HD11 ILE 4 -4.146 -9.115 2.107 47 HD12 ILE 4 HD12 ILE 4 -4.429 -7.374 2.190 48 HD13 ILE 4 HD13 ILE 4 -5.173 -8.451 3.373 49 HA PRO 5 HA PRO 5 3.251 -6.991 2.104 50 HB2 PRO 5 HB2 PRO 5 3.359 -9.496 0.482 51 HB3 PRO 5 HB1 PRO 5 4.551 -8.857 1.633 52 HG2 PRO 5 HG2 PRO 5 3.113 -11.041 2.212 53 HG3 PRO 5 HG1 PRO 5 3.518 -9.847 3.473 54 HD2 PRO 5 HD2 PRO 5 0.934 -10.111 1.903 55 HD3 PRO 5 HD1 PRO 5 1.151 -9.947 3.660 56 H LEU 6 HN LEU 6 3.552 -5.877 0.153 57 HA LEU 6 HA LEU 6 1.322 -4.873 -1.090 58 HB2 LEU 6 HB2 LEU 6 3.456 -3.692 -1.045 59 HB3 LEU 6 HB1 LEU 6 4.188 -4.899 -2.086 60 HG LEU 6 HG LEU 6 2.657 -4.178 -3.944 61 HD11 LEU 6 HD11 LEU 6 0.814 -3.249 -2.640 62 HD12 LEU 6 HD12 LEU 6 1.433 -2.063 -3.784 63 HD13 LEU 6 HD13 LEU 6 1.848 -1.932 -2.072 64 HD21 LEU 6 HD21 LEU 6 4.957 -3.295 -3.790 65 HD22 LEU 6 HD22 LEU 6 4.369 -1.932 -2.834 66 HD23 LEU 6 HD23 LEU 6 3.848 -2.129 -4.509 67 H SER 7 HN SER 7 3.687 -7.067 -2.614 68 HA SER 7 HA SER 7 2.399 -7.318 -5.087 69 HB2 SER 7 HB2 SER 7 4.314 -9.269 -3.755 70 HB3 SER 7 HB1 SER 7 3.953 -9.186 -5.484 71 HG SER 7 HG SER 7 4.986 -7.258 -5.612 72 H LYS 8 HN LYS 8 2.065 -9.195 -2.102 73 HA LYS 8 HA LYS 8 0.586 -11.358 -3.264 74 HB2 LYS 8 HB2 LYS 8 1.949 -11.366 -1.052 75 HB3 LYS 8 HB1 LYS 8 0.534 -10.627 -0.307 76 HG2 LYS 8 HG2 LYS 8 0.538 -13.058 0.041 77 HG3 LYS 8 HG1 LYS 8 -0.840 -12.575 -0.959 78 HD2 LYS 8 HD2 LYS 8 0.507 -13.195 -3.000 79 HD3 LYS 8 HD1 LYS 8 1.768 -13.807 -1.930 80 HE2 LYS 8 HE2 LYS 8 0.253 -15.518 -1.076 81 HE3 LYS 8 HE1 LYS 8 -1.082 -14.857 -2.028 82 HZ1 LYS 8 HZ1 LYS 8 -0.103 -16.756 -3.120 83 HZ2 LYS 8 HZ2 LYS 8 1.416 -16.025 -3.118 84 HZ3 LYS 8 HZ3 LYS 8 0.167 -15.365 -4.041 85 H TYR 9 HN TYR 9 -0.264 -8.375 -1.616 86 HA TYR 9 HA TYR 9 -3.066 -8.641 -1.482 87 HB2 TYR 9 HB2 TYR 9 -1.853 -6.887 -0.245 88 HB3 TYR 9 HB1 TYR 9 -1.324 -6.143 -1.742 89 HD1 TYR 9 HD1 TYR 9 -4.192 -6.611 0.560 90 HD2 TYR 9 HD2 TYR 9 -2.888 -4.777 -3.096 91 HE1 TYR 9 HE1 TYR 9 -6.207 -5.245 0.510 92 HE2 TYR 9 HE2 TYR 9 -4.922 -3.402 -3.122 93 HH TYR 9 HH TYR 9 -7.179 -3.479 -2.245 94 H LEU 10 HN LEU 10 -0.888 -7.474 -4.006 95 HA LEU 10 HA LEU 10 -2.886 -6.528 -5.814 96 HB2 LEU 10 HB2 LEU 10 0.033 -7.224 -6.294 97 HB3 LEU 10 HB1 LEU 10 -0.996 -6.350 -7.421 98 HG LEU 10 HG LEU 10 -0.162 -5.359 -4.661 99 HD11 LEU 10 HD11 LEU 10 1.711 -5.340 -6.221 100 HD12 LEU 10 HD12 LEU 10 1.197 -3.698 -5.843 101 HD13 LEU 10 HD13 LEU 10 0.756 -4.425 -7.392 102 HD21 LEU 10 HD21 LEU 10 -1.790 -3.919 -6.779 103 HD22 LEU 10 HD22 LEU 10 -1.206 -3.216 -5.267 104 HD23 LEU 10 HD23 LEU 10 -2.391 -4.518 -5.229 105 H GLU 11 HN GLU 11 -1.588 -9.660 -5.150 106 HA GLU 11 HA GLU 11 -2.377 -10.937 -7.623 107 HB2 GLU 11 HB2 GLU 11 -1.595 -12.077 -4.903 108 HB3 GLU 11 HB1 GLU 11 -1.963 -13.069 -6.310 109 HG2 GLU 11 HG2 GLU 11 -0.057 -12.153 -7.518 110 HG3 GLU 11 HG1 GLU 11 0.267 -11.027 -6.201 111 H GLU 12 HN GLU 12 -3.704 -10.693 -4.318 112 HA GLU 12 HA GLU 12 -5.897 -12.538 -5.033 113 HB2 GLU 12 HB2 GLU 12 -4.789 -11.763 -2.307 114 HB3 GLU 12 HB1 GLU 12 -6.090 -12.922 -2.585 115 HG2 GLU 12 HG2 GLU 12 -4.487 -14.329 -3.908 116 HG3 GLU 12 HG1 GLU 12 -3.206 -13.193 -3.486 117 H HIS 13 HN HIS 13 -5.402 -9.415 -3.346 118 HA HIS 13 HA HIS 13 -8.238 -9.360 -2.618 119 HB2 HIS 13 HB2 HIS 13 -5.852 -7.707 -1.730 120 HB3 HIS 13 HB1 HIS 13 -7.502 -7.307 -1.261 121 HD1 HIS 13 HD1 HIS 13 -8.239 -8.315 0.876 122 HD2 HIS 13 HD2 HIS 13 -5.139 -10.474 -0.862 123 HE1 HIS 13 HE1 HIS 13 -7.681 -10.140 2.512 124 HE2 HIS 13 HE2 HIS 13 -5.939 -11.533 1.364 125 H GLY 14 HN GLY 14 -5.909 -7.265 -4.378 126 HA2 GLY 14 HA2 GLY 14 -8.080 -6.105 -5.934 127 HA3 GLY 14 HA1 GLY 14 -7.288 -4.984 -4.826 128 H THR 15 HN THR 15 -7.200 -4.341 -7.432 129 HA THR 15 HA THR 15 -4.639 -5.203 -8.575 130 HB THR 15 HB THR 15 -5.255 -3.757 -10.507 131 HG1 THR 15 HG1 THR 15 -7.827 -3.245 -9.805 132 HG21 THR 15 HG21 THR 15 -7.539 -5.557 -9.647 133 HG22 THR 15 HG22 THR 15 -6.070 -6.084 -10.472 134 HG23 THR 15 HG23 THR 15 -7.212 -5.019 -11.296 135 H GLN 16 HN GLN 16 -3.494 -3.204 -9.653 136 HA GLN 16 HA GLN 16 -2.345 -1.692 -7.508 137 HB2 GLN 16 HB2 GLN 16 -1.795 -1.546 -10.510 138 HB3 GLN 16 HB1 GLN 16 -0.823 -0.777 -9.266 139 HG2 GLN 16 HG2 GLN 16 0.368 -2.719 -9.914 140 HG3 GLN 16 HG1 GLN 16 -0.343 -3.096 -8.349 141 HE21 GLN 16 HE21 GLN 16 -1.937 -4.725 -8.245 142 HE22 GLN 16 HE22 GLN 16 -2.265 -5.791 -9.561 143 H SER 17 HN SER 17 -4.523 -1.069 -10.183 144 HA SER 17 HA SER 17 -4.773 1.767 -9.904 145 HB2 SER 17 HB2 SER 17 -6.700 -0.252 -11.141 146 HB3 SER 17 HB1 SER 17 -6.715 1.493 -11.409 147 HG SER 17 HG SER 17 -4.282 0.770 -11.984 148 H ALA 18 HN ALA 18 -6.737 -1.024 -8.829 149 HA ALA 18 HA ALA 18 -8.783 0.299 -7.439 150 HB1 ALA 18 HB1 ALA 18 -8.791 -2.130 -7.961 151 HB2 ALA 18 HB2 ALA 18 -9.149 -1.811 -6.263 152 HB3 ALA 18 HB3 ALA 18 -7.544 -2.384 -6.731 153 H LEU 19 HN LEU 19 -5.555 -0.652 -6.469 154 HA LEU 19 HA LEU 19 -5.781 -0.174 -3.698 155 HB2 LEU 19 HB2 LEU 19 -3.990 -1.576 -4.631 156 HB3 LEU 19 HB1 LEU 19 -3.314 -0.197 -5.486 157 HG LEU 19 HG LEU 19 -2.741 0.865 -3.304 158 HD11 LEU 19 HD11 LEU 19 -4.463 -0.108 -1.862 159 HD12 LEU 19 HD12 LEU 19 -2.859 -0.399 -1.199 160 HD13 LEU 19 HD13 LEU 19 -3.722 -1.705 -2.012 161 HD21 LEU 19 HD21 LEU 19 -1.059 -0.470 -4.470 162 HD22 LEU 19 HD22 LEU 19 -1.610 -1.932 -3.648 163 HD23 LEU 19 HD23 LEU 19 -0.867 -0.623 -2.725 164 H ALA 20 HN ALA 20 -4.347 1.770 -6.338 165 HA ALA 20 HA ALA 20 -3.734 4.135 -4.955 166 HB1 ALA 20 HB1 ALA 20 -3.701 5.214 -7.167 167 HB2 ALA 20 HB2 ALA 20 -4.584 3.850 -7.866 168 HB3 ALA 20 HB3 ALA 20 -2.952 3.619 -7.244 169 H ALA 21 HN ALA 21 -6.788 3.012 -6.298 170 HA ALA 21 HA ALA 21 -8.262 5.455 -6.109 171 HB1 ALA 21 HB1 ALA 21 -10.233 4.026 -6.505 172 HB2 ALA 21 HB2 ALA 21 -9.247 2.585 -6.228 173 HB3 ALA 21 HB3 ALA 21 -8.920 3.624 -7.614 174 H ALA 22 HN ALA 22 -7.822 2.639 -3.990 175 HA ALA 22 HA ALA 22 -9.693 3.418 -1.963 176 HB1 ALA 22 HB1 ALA 22 -8.740 1.566 -0.660 177 HB2 ALA 22 HB2 ALA 22 -7.398 1.433 -1.803 178 HB3 ALA 22 HB3 ALA 22 -9.043 1.069 -2.328 179 H LEU 23 HN LEU 23 -6.237 3.884 -2.474 180 HA LEU 23 HA LEU 23 -5.690 5.015 0.127 181 HB2 LEU 23 HB2 LEU 23 -3.981 5.173 -2.391 182 HB3 LEU 23 HB1 LEU 23 -3.458 5.510 -0.748 183 HG LEU 23 HG LEU 23 -4.202 2.791 -1.881 184 HD11 LEU 23 HD11 LEU 23 -1.842 2.225 -1.536 185 HD12 LEU 23 HD12 LEU 23 -1.519 3.873 -0.992 186 HD13 LEU 23 HD13 LEU 23 -2.035 3.575 -2.654 187 HD21 LEU 23 HD21 LEU 23 -4.931 2.884 0.438 188 HD22 LEU 23 HD22 LEU 23 -3.335 3.454 0.943 189 HD23 LEU 23 HD23 LEU 23 -3.524 1.831 0.278 190 H GLY 24 HN GLY 24 -6.648 6.200 -3.028 191 HA2 GLY 24 HA2 GLY 24 -7.443 8.283 -3.685 192 HA3 GLY 24 HA1 GLY 24 -7.024 8.928 -2.102 193 H VAL 25 HN VAL 25 -4.733 7.144 -4.031 194 HA VAL 25 HA VAL 25 -3.081 9.572 -4.437 195 HB VAL 25 HB VAL 25 -1.097 8.192 -4.212 196 HG11 VAL 25 HG11 VAL 25 -3.037 7.491 -1.985 197 HG12 VAL 25 HG12 VAL 25 -2.081 8.974 -2.100 198 HG13 VAL 25 HG13 VAL 25 -1.276 7.419 -1.878 199 HG21 VAL 25 HG21 VAL 25 -1.856 6.123 -5.333 200 HG22 VAL 25 HG22 VAL 25 -2.918 5.751 -3.974 201 HG23 VAL 25 HG23 VAL 25 -1.167 5.743 -3.753 202 H ASN 26 HN ASN 26 -1.366 9.055 -6.224 203 HA ASN 26 HA ASN 26 -2.732 8.402 -8.706 204 HB2 ASN 26 HB2 ASN 26 0.103 9.358 -8.095 205 HB3 ASN 26 HB1 ASN 26 -0.502 9.070 -9.726 206 HD21 ASN 26 HD21 ASN 26 0.449 11.559 -8.444 207 HD22 ASN 26 HD22 ASN 26 -0.845 12.689 -8.613 208 H GLN 27 HN GLN 27 -1.988 6.807 -10.200 209 HA GLN 27 HA GLN 27 -1.085 4.309 -9.078 210 HB2 GLN 27 HB2 GLN 27 -1.506 5.132 -11.998 211 HB3 GLN 27 HB1 GLN 27 -1.180 3.489 -11.449 212 HG2 GLN 27 HG2 GLN 27 -3.303 3.535 -10.145 213 HG3 GLN 27 HG1 GLN 27 -3.638 5.141 -10.803 214 HE21 GLN 27 HE21 GLN 27 -5.549 4.392 -11.845 215 HE22 GLN 27 HE22 GLN 27 -5.488 3.383 -13.245 216 H SER 28 HN SER 28 0.469 7.039 -10.588 217 HA SER 28 HA SER 28 2.908 5.963 -11.460 218 HB2 SER 28 HB2 SER 28 3.841 8.263 -11.070 219 HB3 SER 28 HB1 SER 28 2.273 8.317 -11.881 220 HG SER 28 HG SER 28 2.283 9.809 -10.210 221 H ALA 29 HN ALA 29 1.884 7.078 -8.265 222 HA ALA 29 HA ALA 29 4.127 6.477 -6.677 223 HB1 ALA 29 HB1 ALA 29 2.139 7.732 -5.927 224 HB2 ALA 29 HB2 ALA 29 2.512 6.395 -4.844 225 HB3 ALA 29 HB3 ALA 29 1.172 6.258 -5.987 226 H ILE 30 HN ILE 30 1.266 4.369 -7.324 227 HA ILE 30 HA ILE 30 2.145 2.195 -5.773 228 HB ILE 30 HB ILE 30 0.285 2.020 -8.201 229 HG12 ILE 30 HG12 ILE 30 -0.526 3.772 -6.693 230 HG13 ILE 30 HG11 ILE 30 -1.576 2.369 -6.572 231 HG21 ILE 30 HG21 ILE 30 0.979 -0.200 -7.418 232 HG22 ILE 30 HG22 ILE 30 -0.715 0.077 -7.015 233 HG23 ILE 30 HG23 ILE 30 0.519 0.208 -5.760 234 HD11 ILE 30 HD11 ILE 30 0.539 3.186 -4.577 235 HD12 ILE 30 HD12 ILE 30 -0.495 1.760 -4.451 236 HD13 ILE 30 HD13 ILE 30 -1.206 3.372 -4.406 237 H SER 31 HN SER 31 2.551 2.803 -9.249 238 HA SER 31 HA SER 31 3.814 0.317 -9.909 239 HB2 SER 31 HB2 SER 31 3.808 2.992 -11.391 240 HB3 SER 31 HB1 SER 31 4.277 1.431 -12.083 241 HG SER 31 HG SER 31 1.789 2.476 -11.647 242 H GLN 32 HN GLN 32 5.013 3.452 -8.787 243 HA GLN 32 HA GLN 32 7.799 2.987 -9.249 244 HB2 GLN 32 HB2 GLN 32 6.826 5.247 -8.888 245 HB3 GLN 32 HB1 GLN 32 6.424 4.833 -7.232 246 HG2 GLN 32 HG2 GLN 32 9.291 4.792 -8.203 247 HG3 GLN 32 HG1 GLN 32 8.524 6.298 -7.710 248 HE21 GLN 32 HE21 GLN 32 10.804 4.788 -6.559 249 HE22 GLN 32 HE22 GLN 32 10.396 4.520 -4.902 250 H MET 33 HN MET 33 5.598 2.366 -6.583 251 HA MET 33 HA MET 33 7.428 1.495 -4.594 252 HB2 MET 33 HB2 MET 33 4.522 0.651 -4.878 253 HB3 MET 33 HB1 MET 33 5.474 0.736 -3.399 254 HG2 MET 33 HG2 MET 33 5.455 3.196 -3.494 255 HG3 MET 33 HG1 MET 33 4.722 3.127 -5.068 256 HE1 MET 33 HE1 MET 33 4.183 1.817 -1.414 257 HE2 MET 33 HE2 MET 33 3.642 0.506 -2.469 258 HE3 MET 33 HE3 MET 33 2.472 1.385 -1.485 259 H VAL 34 HN VAL 34 5.396 -0.225 -6.909 260 HA VAL 34 HA VAL 34 6.099 -2.891 -6.363 261 HB VAL 34 HB VAL 34 5.027 -1.525 -8.881 262 HG11 VAL 34 HG11 VAL 34 5.271 -4.528 -8.437 263 HG12 VAL 34 HG12 VAL 34 6.175 -3.566 -9.609 264 HG13 VAL 34 HG13 VAL 34 4.432 -3.737 -9.777 265 HG21 VAL 34 HG21 VAL 34 3.626 -3.266 -6.806 266 HG22 VAL 34 HG22 VAL 34 2.869 -2.540 -8.228 267 HG23 VAL 34 HG23 VAL 34 3.501 -1.511 -6.945 268 H ARG 35 HN ARG 35 7.341 -0.622 -8.849 269 HA ARG 35 HA ARG 35 9.306 -2.505 -9.818 270 HB2 ARG 35 HB2 ARG 35 8.788 0.401 -10.522 271 HB3 ARG 35 HB1 ARG 35 10.013 -0.596 -11.306 272 HG2 ARG 35 HG2 ARG 35 8.211 -2.175 -12.036 273 HG3 ARG 35 HG1 ARG 35 7.015 -1.084 -11.330 274 HD2 ARG 35 HD2 ARG 35 8.934 -0.370 -13.577 275 HD3 ARG 35 HD1 ARG 35 7.233 -0.790 -13.782 276 HE ARG 35 HE ARG 35 7.486 1.396 -11.988 277 HH11 ARG 35 HH11 ARG 35 7.743 0.686 -15.441 278 HH12 ARG 35 HH12 ARG 35 7.339 2.307 -15.916 279 HH21 ARG 35 HH21 ARG 35 6.914 3.910 -14.331 280 HH22 ARG 35 HH22 ARG 35 6.997 3.522 -12.643 281 H ALA 36 HN ALA 36 9.301 -0.283 -7.221 282 HA ALA 36 HA ALA 36 12.130 0.184 -7.025 283 HB1 ALA 36 HB1 ALA 36 10.516 1.539 -5.738 284 HB2 ALA 36 HB2 ALA 36 11.663 0.751 -4.654 285 HB3 ALA 36 HB3 ALA 36 10.023 0.114 -4.822 286 H GLY 37 HN GLY 37 10.004 -2.473 -6.355 287 HA2 GLY 37 HA2 GLY 37 10.396 -4.670 -5.809 288 HA3 GLY 37 HA1 GLY 37 12.119 -4.322 -5.785 289 H ARG 38 HN ARG 38 10.100 -2.305 -3.887 290 HA ARG 38 HA ARG 38 11.013 -3.556 -1.392 291 HB2 ARG 38 HB2 ARG 38 11.404 -1.132 -1.586 292 HB3 ARG 38 HB1 ARG 38 9.699 -0.845 -1.914 293 HG2 ARG 38 HG2 ARG 38 10.239 -0.255 0.406 294 HG3 ARG 38 HG1 ARG 38 9.109 -1.605 0.344 295 HD2 ARG 38 HD2 ARG 38 11.149 -3.142 0.654 296 HD3 ARG 38 HD1 ARG 38 12.056 -1.681 1.058 297 HE ARG 38 HE ARG 38 10.075 -1.427 2.772 298 HH11 ARG 38 HH11 ARG 38 11.853 -4.354 1.965 299 HH12 ARG 38 HH12 ARG 38 11.614 -5.077 3.523 300 HH21 ARG 38 HH21 ARG 38 9.726 -2.393 4.798 301 HH22 ARG 38 HH22 ARG 38 10.400 -3.956 5.140 302 H CYS 39 HN CYS 39 9.690 -5.050 -0.580 303 HA CYS 39 HA CYS 39 6.905 -5.312 -1.084 304 HB2 CYS 39 HB2 CYS 39 8.322 -7.215 -0.364 305 HB3 CYS 39 HB1 CYS 39 8.577 -6.446 1.201 306 HG CYS 39 HG CYS 39 6.252 -8.493 0.307 307 H ILE 40 HN ILE 40 5.408 -3.968 -0.373 308 HA ILE 40 HA ILE 40 5.851 -2.251 1.984 309 HB ILE 40 HB ILE 40 3.698 -2.062 -0.183 310 HG12 ILE 40 HG12 ILE 40 5.927 -1.772 -1.200 311 HG13 ILE 40 HG11 ILE 40 5.049 -0.255 -1.202 312 HG21 ILE 40 HG21 ILE 40 4.547 -0.034 1.910 313 HG22 ILE 40 HG22 ILE 40 3.032 -0.938 1.879 314 HG23 ILE 40 HG23 ILE 40 3.374 0.246 0.620 315 HD11 ILE 40 HD11 ILE 40 7.294 -1.039 0.633 316 HD12 ILE 40 HD12 ILE 40 6.364 0.456 0.768 317 HD13 ILE 40 HD13 ILE 40 7.335 0.146 -0.672 318 H ASP 41 HN ASP 41 4.484 -2.313 3.746 319 HA ASP 41 HA ASP 41 2.606 -4.510 3.978 320 HB2 ASP 41 HB2 ASP 41 2.393 -3.825 6.345 321 HB3 ASP 41 HB1 ASP 41 4.063 -4.095 5.881 322 H ILE 42 HN ILE 42 0.700 -4.241 3.069 323 HA ILE 42 HA ILE 42 -0.745 -1.738 2.966 324 HB ILE 42 HB ILE 42 -1.542 -4.560 2.093 325 HG12 ILE 42 HG12 ILE 42 0.380 -3.716 0.794 326 HG13 ILE 42 HG11 ILE 42 -1.057 -3.755 -0.219 327 HG21 ILE 42 HG21 ILE 42 -2.908 -1.903 1.501 328 HG22 ILE 42 HG22 ILE 42 -3.539 -3.200 2.519 329 HG23 ILE 42 HG23 ILE 42 -3.337 -3.460 0.788 330 HD11 ILE 42 HD11 ILE 42 -1.297 -1.303 0.080 331 HD12 ILE 42 HD12 ILE 42 0.235 -1.749 -0.665 332 HD13 ILE 42 HD13 ILE 42 0.186 -1.295 1.037 333 H GLU 43 HN GLU 43 -1.697 -1.061 4.742 334 HA GLU 43 HA GLU 43 -2.387 -2.686 6.990 335 HB2 GLU 43 HB2 GLU 43 -1.641 -0.184 6.917 336 HB3 GLU 43 HB1 GLU 43 -3.307 0.180 6.509 337 HG2 GLU 43 HG2 GLU 43 -3.146 0.542 8.826 338 HG3 GLU 43 HG1 GLU 43 -3.959 -1.013 8.658 339 H LEU 44 HN LEU 44 -3.981 -4.187 6.454 340 HA LEU 44 HA LEU 44 -6.390 -3.385 5.005 341 HB2 LEU 44 HB2 LEU 44 -5.343 -5.534 4.435 342 HB3 LEU 44 HB1 LEU 44 -5.535 -6.095 6.089 343 HG LEU 44 HG LEU 44 -8.032 -5.980 5.807 344 HD11 LEU 44 HD11 LEU 44 -8.153 -4.289 4.027 345 HD12 LEU 44 HD12 LEU 44 -9.011 -5.757 3.569 346 HD13 LEU 44 HD13 LEU 44 -7.413 -5.423 2.886 347 HD21 LEU 44 HD21 LEU 44 -6.783 -8.104 5.465 348 HD22 LEU 44 HD22 LEU 44 -6.683 -7.738 3.735 349 HD23 LEU 44 HD23 LEU 44 -8.255 -8.009 4.497 350 H TYR 45 HN TYR 45 -7.949 -2.455 6.084 351 HA TYR 45 HA TYR 45 -8.565 -2.917 8.893 352 HB2 TYR 45 HB2 TYR 45 -9.833 -1.137 6.761 353 HB3 TYR 45 HB1 TYR 45 -10.352 -1.179 8.446 354 HD1 TYR 45 HD1 TYR 45 -9.121 0.019 10.140 355 HD2 TYR 45 HD2 TYR 45 -7.488 -0.285 6.203 356 HE1 TYR 45 HE1 TYR 45 -7.411 1.682 10.720 357 HE2 TYR 45 HE2 TYR 45 -5.773 1.385 6.788 358 HH TYR 45 HH TYR 45 -5.345 3.145 8.396 359 H THR 46 HN THR 46 -10.727 -3.550 9.589 360 HA THR 46 HA THR 46 -11.454 -6.034 8.387 361 HB THR 46 HB THR 46 -11.501 -5.766 10.837 362 HG1 THR 46 HG1 THR 46 -14.125 -6.318 9.838 363 HG21 THR 46 HG21 THR 46 -13.311 -4.539 11.969 364 HG22 THR 46 HG22 THR 46 -13.905 -3.955 10.413 365 HG23 THR 46 HG23 THR 46 -12.321 -3.448 11.002 366 H ASP 47 HN ASP 47 -12.710 -2.806 7.984 367 HA ASP 47 HA ASP 47 -15.329 -3.607 7.019 368 HB2 ASP 47 HB2 ASP 47 -15.787 -1.280 6.705 369 HB3 ASP 47 HB1 ASP 47 -14.822 -1.372 8.170 370 H GLY 48 HN GLY 48 -12.183 -3.330 5.696 371 HA2 GLY 48 HA2 GLY 48 -11.818 -4.404 3.518 372 HA3 GLY 48 HA1 GLY 48 -13.216 -3.525 2.917 373 H ARG 49 HN ARG 49 -11.930 -1.166 4.723 374 HA ARG 49 HA ARG 49 -10.568 0.231 2.669 375 HB2 ARG 49 HB2 ARG 49 -10.722 0.588 5.671 376 HB3 ARG 49 HB1 ARG 49 -9.564 1.546 4.755 377 HG2 ARG 49 HG2 ARG 49 -11.426 2.466 3.395 378 HG3 ARG 49 HG1 ARG 49 -12.571 1.549 4.384 379 HD2 ARG 49 HD2 ARG 49 -12.313 3.948 5.083 380 HD3 ARG 49 HD1 ARG 49 -11.967 2.787 6.369 381 HE ARG 49 HE ARG 49 -9.696 3.790 4.815 382 HH11 ARG 49 HH11 ARG 49 -11.508 4.041 7.821 383 HH12 ARG 49 HH12 ARG 49 -10.223 4.847 8.664 384 HH21 ARG 49 HH21 ARG 49 -8.024 4.826 5.929 385 HH22 ARG 49 HH22 ARG 49 -8.244 5.292 7.592 386 H VAL 50 HN VAL 50 -8.368 0.650 2.344 387 HA VAL 50 HA VAL 50 -6.366 -0.860 3.891 388 HB VAL 50 HB VAL 50 -5.060 -1.328 1.812 389 HG11 VAL 50 HG11 VAL 50 -6.416 -3.100 2.796 390 HG12 VAL 50 HG12 VAL 50 -6.404 -3.245 1.041 391 HG13 VAL 50 HG13 VAL 50 -7.821 -2.588 1.856 392 HG21 VAL 50 HG21 VAL 50 -7.556 -0.435 0.307 393 HG22 VAL 50 HG22 VAL 50 -6.147 -1.216 -0.417 394 HG23 VAL 50 HG23 VAL 50 -5.991 0.384 0.309 395 H GLU 51 HN GLU 51 -4.393 0.163 4.100 396 HA GLU 51 HA GLU 51 -4.089 2.884 2.997 397 HB2 GLU 51 HB2 GLU 51 -5.113 3.153 5.212 398 HB3 GLU 51 HB1 GLU 51 -3.879 2.131 5.939 399 HG2 GLU 51 HG2 GLU 51 -2.154 3.802 5.409 400 HG3 GLU 51 HG1 GLU 51 -3.365 4.809 4.613 401 H CYS 52 HN CYS 52 -2.134 3.051 2.108 402 HA CYS 52 HA CYS 52 0.109 1.411 3.072 403 HB2 CYS 52 HB2 CYS 52 -0.227 1.340 0.652 404 HB3 CYS 52 HB1 CYS 52 -0.159 3.102 0.561 405 HG CYS 52 HG CYS 52 2.257 2.743 -0.271 406 H ARG 53 HN ARG 53 1.010 2.415 4.811 407 HA ARG 53 HA ARG 53 1.052 5.307 5.100 408 HB2 ARG 53 HB2 ARG 53 2.240 3.149 6.895 409 HB3 ARG 53 HB1 ARG 53 2.064 4.857 7.311 410 HG2 ARG 53 HG2 ARG 53 -0.392 4.647 7.113 411 HG3 ARG 53 HG1 ARG 53 -0.210 2.940 6.710 412 HD2 ARG 53 HD2 ARG 53 0.840 2.581 8.953 413 HD3 ARG 53 HD1 ARG 53 0.497 4.273 9.340 414 HE ARG 53 HE ARG 53 -1.859 2.968 8.462 415 HH11 ARG 53 HH11 ARG 53 0.220 3.119 11.292 416 HH12 ARG 53 HH12 ARG 53 -1.057 2.689 12.381 417 HH21 ARG 53 HH21 ARG 53 -3.517 2.432 9.904 418 HH22 ARG 53 HH22 ARG 53 -3.176 2.300 11.604 419 H GLU 54 HN GLU 54 3.229 2.901 3.880 420 HA GLU 54 HA GLU 54 5.666 4.315 3.803 421 HB2 GLU 54 HB2 GLU 54 5.561 2.002 3.067 422 HB3 GLU 54 HB1 GLU 54 4.410 2.395 1.800 423 HG2 GLU 54 HG2 GLU 54 6.438 2.093 0.671 424 HG3 GLU 54 HG1 GLU 54 6.273 3.832 0.755 425 H LEU 55 HN LEU 55 2.751 4.473 1.865 426 HA LEU 55 HA LEU 55 3.903 6.404 -0.020 427 HB2 LEU 55 HB2 LEU 55 2.671 4.169 -0.691 428 HB3 LEU 55 HB1 LEU 55 1.203 5.062 -0.354 429 HG LEU 55 HG LEU 55 1.826 5.008 -2.785 430 HD11 LEU 55 HD11 LEU 55 1.466 7.388 -3.287 431 HD12 LEU 55 HD12 LEU 55 1.829 7.815 -1.614 432 HD13 LEU 55 HD13 LEU 55 0.406 6.842 -1.989 433 HD21 LEU 55 HD21 LEU 55 4.277 5.016 -2.516 434 HD22 LEU 55 HD22 LEU 55 4.223 6.689 -1.956 435 HD23 LEU 55 HD23 LEU 55 3.754 6.295 -3.610 436 H ARG 56 HN ARG 56 3.841 8.113 1.401 437 HA ARG 56 HA ARG 56 1.366 9.308 2.289 438 HB2 ARG 56 HB2 ARG 56 4.195 10.382 2.001 439 HB3 ARG 56 HB1 ARG 56 2.849 11.326 2.653 440 HG2 ARG 56 HG2 ARG 56 2.570 9.779 4.490 441 HG3 ARG 56 HG1 ARG 56 3.787 8.689 3.810 442 HD2 ARG 56 HD2 ARG 56 4.313 11.526 4.719 443 HD3 ARG 56 HD1 ARG 56 4.665 10.080 5.669 444 HE ARG 56 HE ARG 56 6.100 11.059 3.322 445 HH11 ARG 56 HH11 ARG 56 5.727 8.398 5.606 446 HH12 ARG 56 HH12 ARG 56 7.257 7.693 5.193 447 HH21 ARG 56 HH21 ARG 56 8.576 8.650 3.583 448 HH22 ARG 56 HH22 ARG 56 8.049 10.088 2.765 449 HA PRO 57 HA PRO 57 0.261 11.526 -1.582 450 HB2 PRO 57 HB2 PRO 57 -0.219 13.877 0.264 451 HB3 PRO 57 HB1 PRO 57 -1.294 13.157 -0.956 452 HG2 PRO 57 HG2 PRO 57 -1.760 12.703 1.602 453 HG3 PRO 57 HG1 PRO 57 -1.910 11.375 0.425 454 HD2 PRO 57 HD2 PRO 57 0.344 11.951 2.342 455 HD3 PRO 57 HD1 PRO 57 -0.421 10.395 1.937 456 H ASP 58 HN ASP 58 2.730 12.503 0.607 457 HA ASP 58 HA ASP 58 3.774 14.779 -0.826 458 HB2 ASP 58 HB2 ASP 58 5.161 13.107 1.322 459 HB3 ASP 58 HB1 ASP 58 5.583 14.737 0.811 460 H VAL 59 HN VAL 59 3.740 11.618 -1.686 461 HA VAL 59 HA VAL 59 6.405 11.051 -2.391 462 HB VAL 59 HB VAL 59 4.666 9.302 -2.084 463 HG11 VAL 59 HG11 VAL 59 3.066 8.748 -3.865 464 HG12 VAL 59 HG12 VAL 59 3.551 10.193 -4.759 465 HG13 VAL 59 HG13 VAL 59 2.765 10.350 -3.188 466 HG21 VAL 59 HG21 VAL 59 6.754 8.747 -3.242 467 HG22 VAL 59 HG22 VAL 59 6.050 9.213 -4.792 468 HG23 VAL 59 HG23 VAL 59 5.416 7.816 -3.919 469 H PHE 60 HN PHE 60 3.689 12.365 -4.283 470 HA PHE 60 HA PHE 60 5.488 13.482 -6.319 471 HB2 PHE 60 HB2 PHE 60 3.205 11.560 -6.960 472 HB3 PHE 60 HB1 PHE 60 3.999 12.558 -8.168 473 HD1 PHE 60 HD1 PHE 60 6.778 12.288 -7.903 474 HD2 PHE 60 HD2 PHE 60 3.818 9.298 -7.113 475 HE1 PHE 60 HE1 PHE 60 8.444 10.522 -8.307 476 HE2 PHE 60 HE2 PHE 60 5.501 7.542 -7.514 477 HZ PHE 60 HZ PHE 60 7.810 8.150 -8.105 478 H GLY 61 HN GLY 61 3.248 14.200 -4.147 479 HA2 GLY 61 HA2 GLY 61 1.525 15.732 -3.938 480 HA3 GLY 61 HA1 GLY 61 1.833 16.253 -5.596 481 H ALA 62 HN ALA 62 0.879 13.216 -4.048 482 HA ALA 62 HA ALA 62 -0.759 12.394 -6.274 483 HB1 ALA 62 HB1 ALA 62 -0.980 10.280 -5.019 484 HB2 ALA 62 HB2 ALA 62 -0.215 11.022 -3.612 485 HB3 ALA 62 HB3 ALA 62 0.710 10.791 -5.096 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -4.727 -4.644 14.788 2 H2 MET 1 HT2 MET 1 -5.992 -4.581 13.674 3 H3 MET 1 HT3 MET 1 -5.489 -3.171 14.453 4 HA MET 1 HA MET 1 -4.742 -3.298 12.159 5 HB2 MET 1 HB2 MET 1 -2.361 -2.732 12.609 6 HB3 MET 1 HB1 MET 1 -3.449 -1.949 13.737 7 HG2 MET 1 HG2 MET 1 -2.761 -3.330 15.531 8 HG3 MET 1 HG1 MET 1 -1.983 -4.492 14.457 9 HE1 MET 1 HE1 MET 1 0.310 -4.069 13.201 10 HE2 MET 1 HE2 MET 1 1.192 -2.544 13.266 11 HE3 MET 1 HE3 MET 1 -0.358 -2.625 12.431 12 H LYS 2 HN LYS 2 -4.174 -4.635 10.513 13 HA LYS 2 HA LYS 2 -2.602 -7.079 11.106 14 HB2 LYS 2 HB2 LYS 2 -4.917 -6.955 9.118 15 HB3 LYS 2 HB1 LYS 2 -3.959 -8.375 9.544 16 HG2 LYS 2 HG2 LYS 2 -4.886 -7.937 11.978 17 HG3 LYS 2 HG1 LYS 2 -6.102 -6.964 11.154 18 HD2 LYS 2 HD2 LYS 2 -7.027 -9.164 11.519 19 HD3 LYS 2 HD1 LYS 2 -6.708 -9.009 9.789 20 HE2 LYS 2 HE2 LYS 2 -4.673 -10.350 10.012 21 HE3 LYS 2 HE1 LYS 2 -4.860 -10.399 11.766 22 HZ1 LYS 2 HZ1 LYS 2 -5.604 -12.446 10.728 23 HZ2 LYS 2 HZ2 LYS 2 -6.735 -11.601 9.803 24 HZ3 LYS 2 HZ3 LYS 2 -6.897 -11.660 11.483 25 H LYS 3 HN LYS 3 -0.700 -6.786 10.136 26 HA LYS 3 HA LYS 3 -0.301 -5.113 7.817 27 HB2 LYS 3 HB2 LYS 3 2.077 -5.813 7.994 28 HB3 LYS 3 HB1 LYS 3 1.450 -5.304 9.561 29 HG2 LYS 3 HG2 LYS 3 1.153 -7.669 10.221 30 HG3 LYS 3 HG1 LYS 3 1.783 -8.189 8.654 31 HD2 LYS 3 HD2 LYS 3 3.976 -7.164 9.197 32 HD3 LYS 3 HD1 LYS 3 3.333 -6.606 10.745 33 HE2 LYS 3 HE2 LYS 3 2.860 -9.079 11.264 34 HE3 LYS 3 HE1 LYS 3 3.867 -9.458 9.866 35 HZ1 LYS 3 HZ1 LYS 3 4.681 -8.018 12.332 36 HZ2 LYS 3 HZ2 LYS 3 5.651 -8.145 10.959 37 HZ3 LYS 3 HZ3 LYS 3 5.212 -9.539 11.813 38 H ILE 4 HN ILE 4 -0.273 -5.739 5.712 39 HA ILE 4 HA ILE 4 -0.001 -8.614 5.019 40 HB ILE 4 HB ILE 4 -1.551 -6.588 3.353 41 HG12 ILE 4 HG12 ILE 4 -2.625 -8.630 5.341 42 HG13 ILE 4 HG11 ILE 4 -2.883 -6.884 5.344 43 HG21 ILE 4 HG21 ILE 4 -1.448 -9.605 3.073 44 HG22 ILE 4 HG22 ILE 4 -0.587 -8.452 2.052 45 HG23 ILE 4 HG23 ILE 4 -2.352 -8.481 2.042 46 HD11 ILE 4 HD11 ILE 4 -3.962 -8.853 3.338 47 HD12 ILE 4 HD12 ILE 4 -4.180 -7.101 3.272 48 HD13 ILE 4 HD13 ILE 4 -4.858 -8.025 4.608 49 HA PRO 5 HA PRO 5 3.636 -7.008 2.807 50 HB2 PRO 5 HB2 PRO 5 3.443 -9.548 1.216 51 HB3 PRO 5 HB1 PRO 5 4.778 -8.964 2.227 52 HG2 PRO 5 HG2 PRO 5 3.283 -11.026 3.032 53 HG3 PRO 5 HG1 PRO 5 3.851 -9.806 4.198 54 HD2 PRO 5 HD2 PRO 5 1.122 -10.022 2.899 55 HD3 PRO 5 HD1 PRO 5 1.509 -9.728 4.608 56 H LEU 6 HN LEU 6 3.869 -5.865 0.838 57 HA LEU 6 HA LEU 6 1.576 -4.776 -0.227 58 HB2 LEU 6 HB2 LEU 6 3.777 -3.708 -0.362 59 HB3 LEU 6 HB1 LEU 6 4.321 -4.902 -1.526 60 HG LEU 6 HG LEU 6 2.653 -4.020 -3.187 61 HD11 LEU 6 HD11 LEU 6 0.971 -3.148 -1.659 62 HD12 LEU 6 HD12 LEU 6 1.497 -1.902 -2.788 63 HD13 LEU 6 HD13 LEU 6 2.082 -1.884 -1.120 64 HD21 LEU 6 HD21 LEU 6 3.833 -1.965 -3.740 65 HD22 LEU 6 HD22 LEU 6 4.975 -3.188 -3.181 66 HD23 LEU 6 HD23 LEU 6 4.499 -1.873 -2.105 67 H SER 7 HN SER 7 3.688 -7.056 -2.046 68 HA SER 7 HA SER 7 2.039 -7.300 -4.297 69 HB2 SER 7 HB2 SER 7 4.072 -9.313 -3.243 70 HB3 SER 7 HB1 SER 7 3.447 -9.237 -4.895 71 HG SER 7 HG SER 7 4.706 -7.575 -5.300 72 H LYS 8 HN LYS 8 2.124 -9.151 -1.286 73 HA LYS 8 HA LYS 8 0.431 -11.312 -1.963 74 HB2 LYS 8 HB2 LYS 8 1.955 -10.531 0.255 75 HB3 LYS 8 HB1 LYS 8 0.328 -10.386 0.881 76 HG2 LYS 8 HG2 LYS 8 1.412 -12.900 -0.407 77 HG3 LYS 8 HG1 LYS 8 1.530 -12.565 1.322 78 HD2 LYS 8 HD2 LYS 8 -0.913 -12.561 1.522 79 HD3 LYS 8 HD1 LYS 8 -1.092 -12.774 -0.225 80 HE2 LYS 8 HE2 LYS 8 -0.155 -14.994 -0.120 81 HE3 LYS 8 HE1 LYS 8 0.346 -14.775 1.555 82 HZ1 LYS 8 HZ1 LYS 8 -2.461 -14.841 0.615 83 HZ2 LYS 8 HZ2 LYS 8 -1.954 -14.703 2.218 84 HZ3 LYS 8 HZ3 LYS 8 -1.650 -16.122 1.352 85 H TYR 9 HN TYR 9 -0.184 -8.079 -0.646 86 HA TYR 9 HA TYR 9 -2.993 -8.283 -0.312 87 HB2 TYR 9 HB2 TYR 9 -1.692 -6.520 0.851 88 HB3 TYR 9 HB1 TYR 9 -1.261 -5.793 -0.689 89 HD1 TYR 9 HD1 TYR 9 -4.021 -6.275 1.772 90 HD2 TYR 9 HD2 TYR 9 -2.896 -4.462 -1.962 91 HE1 TYR 9 HE1 TYR 9 -6.077 -5.005 1.759 92 HE2 TYR 9 HE2 TYR 9 -4.980 -3.181 -1.959 93 HH TYR 9 HH TYR 9 -7.279 -3.452 -0.969 94 H LEU 10 HN LEU 10 -0.915 -7.147 -2.940 95 HA LEU 10 HA LEU 10 -2.982 -6.132 -4.596 96 HB2 LEU 10 HB2 LEU 10 -0.134 -6.918 -5.284 97 HB3 LEU 10 HB1 LEU 10 -1.204 -6.018 -6.353 98 HG LEU 10 HG LEU 10 -0.182 -5.039 -3.655 99 HD11 LEU 10 HD11 LEU 10 1.195 -3.468 -4.928 100 HD12 LEU 10 HD12 LEU 10 0.653 -4.205 -6.440 101 HD13 LEU 10 HD13 LEU 10 1.611 -5.143 -5.290 102 HD21 LEU 10 HD21 LEU 10 -1.825 -3.553 -5.727 103 HD22 LEU 10 HD22 LEU 10 -1.135 -2.866 -4.252 104 HD23 LEU 10 HD23 LEU 10 -2.386 -4.101 -4.140 105 H GLU 11 HN GLU 11 -1.781 -9.357 -4.108 106 HA GLU 11 HA GLU 11 -2.705 -10.435 -6.625 107 HB2 GLU 11 HB2 GLU 11 -1.804 -11.763 -4.040 108 HB3 GLU 11 HB1 GLU 11 -2.343 -12.678 -5.445 109 HG2 GLU 11 HG2 GLU 11 0.067 -10.833 -5.328 110 HG3 GLU 11 HG1 GLU 11 0.096 -12.596 -5.363 111 H GLU 12 HN GLU 12 -3.903 -10.595 -3.229 112 HA GLU 12 HA GLU 12 -6.181 -12.233 -4.165 113 HB2 GLU 12 HB2 GLU 12 -5.296 -11.768 -1.298 114 HB3 GLU 12 HB1 GLU 12 -6.371 -13.030 -1.895 115 HG2 GLU 12 HG2 GLU 12 -4.529 -14.134 -3.022 116 HG3 GLU 12 HG1 GLU 12 -3.432 -12.810 -2.617 117 H HIS 13 HN HIS 13 -5.520 -9.095 -2.775 118 HA HIS 13 HA HIS 13 -8.170 -8.966 -1.446 119 HB2 HIS 13 HB2 HIS 13 -5.657 -7.328 -0.910 120 HB3 HIS 13 HB1 HIS 13 -7.143 -7.286 0.034 121 HD1 HIS 13 HD1 HIS 13 -7.475 -9.105 1.777 122 HD2 HIS 13 HD2 HIS 13 -4.112 -9.732 -0.556 123 HE1 HIS 13 HE1 HIS 13 -6.230 -10.980 2.872 124 HE2 HIS 13 HE2 HIS 13 -4.351 -11.505 1.288 125 H GLY 14 HN GLY 14 -5.973 -7.052 -3.491 126 HA2 GLY 14 HA2 GLY 14 -8.112 -5.744 -4.894 127 HA3 GLY 14 HA1 GLY 14 -7.342 -4.660 -3.738 128 H THR 15 HN THR 15 -7.218 -3.965 -6.353 129 HA THR 15 HA THR 15 -4.637 -4.821 -7.464 130 HB THR 15 HB THR 15 -5.249 -3.179 -9.325 131 HG1 THR 15 HG1 THR 15 -7.912 -3.148 -8.676 132 HG21 THR 15 HG21 THR 15 -7.263 -5.383 -8.783 133 HG22 THR 15 HG22 THR 15 -5.694 -5.587 -9.567 134 HG23 THR 15 HG23 THR 15 -6.948 -4.621 -10.346 135 H GLN 16 HN GLN 16 -3.372 -2.871 -8.484 136 HA GLN 16 HA GLN 16 -2.387 -1.191 -6.382 137 HB2 GLN 16 HB2 GLN 16 -1.822 -1.002 -9.383 138 HB3 GLN 16 HB1 GLN 16 -0.899 -0.213 -8.111 139 HG2 GLN 16 HG2 GLN 16 0.425 -2.057 -8.759 140 HG3 GLN 16 HG1 GLN 16 -0.314 -2.545 -7.248 141 HE21 GLN 16 HE21 GLN 16 -1.851 -4.235 -7.283 142 HE22 GLN 16 HE22 GLN 16 -2.069 -5.256 -8.658 143 H SER 17 HN SER 17 -4.570 -0.871 -9.091 144 HA SER 17 HA SER 17 -5.115 1.879 -9.076 145 HB2 SER 17 HB2 SER 17 -7.040 -0.380 -9.766 146 HB3 SER 17 HB1 SER 17 -7.073 1.277 -10.387 147 HG SER 17 HG SER 17 -6.132 -0.218 -11.860 148 H ALA 18 HN ALA 18 -6.773 -0.833 -7.475 149 HA ALA 18 HA ALA 18 -8.783 0.599 -6.112 150 HB1 ALA 18 HB1 ALA 18 -8.856 -1.849 -6.478 151 HB2 ALA 18 HB2 ALA 18 -9.056 -1.440 -4.770 152 HB3 ALA 18 HB3 ALA 18 -7.504 -2.050 -5.356 153 H LEU 19 HN LEU 19 -5.523 -0.419 -5.203 154 HA LEU 19 HA LEU 19 -5.683 0.233 -2.455 155 HB2 LEU 19 HB2 LEU 19 -4.017 -1.355 -3.255 156 HB3 LEU 19 HB1 LEU 19 -3.287 -0.143 -4.289 157 HG LEU 19 HG LEU 19 -2.426 1.079 -2.317 158 HD11 LEU 19 HD11 LEU 19 -4.177 0.606 -0.704 159 HD12 LEU 19 HD12 LEU 19 -2.594 0.193 -0.056 160 HD13 LEU 19 HD13 LEU 19 -3.679 -1.087 -0.614 161 HD21 LEU 19 HD21 LEU 19 -1.021 -0.666 -3.300 162 HD22 LEU 19 HD22 LEU 19 -1.719 -1.868 -2.210 163 HD23 LEU 19 HD23 LEU 19 -0.756 -0.536 -1.562 164 H ALA 20 HN ALA 20 -4.161 1.910 -5.221 165 HA ALA 20 HA ALA 20 -3.352 4.298 -3.996 166 HB1 ALA 20 HB1 ALA 20 -2.664 3.576 -6.258 167 HB2 ALA 20 HB2 ALA 20 -3.311 5.217 -6.279 168 HB3 ALA 20 HB3 ALA 20 -4.297 3.870 -6.861 169 H ALA 21 HN ALA 21 -6.514 3.394 -5.369 170 HA ALA 21 HA ALA 21 -7.795 5.904 -5.179 171 HB1 ALA 21 HB1 ALA 21 -9.893 4.633 -5.395 172 HB2 ALA 21 HB2 ALA 21 -9.024 3.128 -5.072 173 HB3 ALA 21 HB3 ALA 21 -8.676 4.054 -6.535 174 H ALA 22 HN ALA 22 -7.429 3.247 -2.865 175 HA ALA 22 HA ALA 22 -9.105 4.347 -0.805 176 HB1 ALA 22 HB1 ALA 22 -8.684 1.928 -0.975 177 HB2 ALA 22 HB2 ALA 22 -8.186 2.542 0.604 178 HB3 ALA 22 HB3 ALA 22 -6.971 2.186 -0.628 179 H LEU 23 HN LEU 23 -5.686 4.574 -1.614 180 HA LEU 23 HA LEU 23 -4.894 5.939 0.820 181 HB2 LEU 23 HB2 LEU 23 -3.381 5.811 -1.827 182 HB3 LEU 23 HB1 LEU 23 -2.718 6.225 -0.256 183 HG LEU 23 HG LEU 23 -3.631 3.487 -1.194 184 HD11 LEU 23 HD11 LEU 23 -0.879 4.468 -0.400 185 HD12 LEU 23 HD12 LEU 23 -1.443 4.117 -2.038 186 HD13 LEU 23 HD13 LEU 23 -1.307 2.814 -0.860 187 HD21 LEU 23 HD21 LEU 23 -2.941 2.615 0.995 188 HD22 LEU 23 HD22 LEU 23 -4.318 3.704 1.110 189 HD23 LEU 23 HD23 LEU 23 -2.710 4.266 1.580 190 H GLY 24 HN GLY 24 -6.278 6.810 -2.213 191 HA2 GLY 24 HA2 GLY 24 -6.908 8.799 -3.155 192 HA3 GLY 24 HA1 GLY 24 -6.447 9.624 -1.673 193 H VAL 25 HN VAL 25 -4.383 7.570 -3.597 194 HA VAL 25 HA VAL 25 -2.715 9.827 -4.510 195 HB VAL 25 HB VAL 25 -0.687 8.597 -4.111 196 HG11 VAL 25 HG11 VAL 25 -2.431 8.126 -1.669 197 HG12 VAL 25 HG12 VAL 25 -1.675 9.665 -2.097 198 HG13 VAL 25 HG13 VAL 25 -0.671 8.274 -1.695 199 HG21 VAL 25 HG21 VAL 25 -1.381 6.358 -4.825 200 HG22 VAL 25 HG22 VAL 25 -2.368 6.167 -3.377 201 HG23 VAL 25 HG23 VAL 25 -0.607 6.266 -3.240 202 H ASN 26 HN ASN 26 -1.365 9.263 -6.440 203 HA ASN 26 HA ASN 26 -2.742 7.701 -8.438 204 HB2 ASN 26 HB2 ASN 26 -0.192 9.329 -8.415 205 HB3 ASN 26 HB1 ASN 26 -0.501 8.229 -9.751 206 HD21 ASN 26 HD21 ASN 26 -1.687 11.106 -8.088 207 HD22 ASN 26 HD22 ASN 26 -2.655 11.671 -9.401 208 H GLN 27 HN GLN 27 -1.876 5.875 -9.554 209 HA GLN 27 HA GLN 27 -0.867 3.799 -7.898 210 HB2 GLN 27 HB2 GLN 27 -0.998 3.836 -10.938 211 HB3 GLN 27 HB1 GLN 27 -0.910 2.405 -9.912 212 HG2 GLN 27 HG2 GLN 27 -3.138 2.883 -9.014 213 HG3 GLN 27 HG1 GLN 27 -3.229 4.367 -9.963 214 HE21 GLN 27 HE21 GLN 27 -5.049 3.725 -11.128 215 HE22 GLN 27 HE22 GLN 27 -5.017 2.453 -12.297 216 H SER 28 HN SER 28 0.668 6.174 -9.832 217 HA SER 28 HA SER 28 3.163 5.280 -10.492 218 HB2 SER 28 HB2 SER 28 2.647 7.998 -9.202 219 HB3 SER 28 HB1 SER 28 3.844 7.599 -10.436 220 HG SER 28 HG SER 28 2.240 7.436 -11.933 221 H ALA 29 HN ALA 29 2.004 6.406 -7.328 222 HA ALA 29 HA ALA 29 4.275 6.257 -5.712 223 HB1 ALA 29 HB1 ALA 29 1.389 5.579 -5.038 224 HB2 ALA 29 HB2 ALA 29 2.120 7.185 -4.974 225 HB3 ALA 29 HB3 ALA 29 2.659 5.922 -3.867 226 H ILE 30 HN ILE 30 1.825 3.638 -6.173 227 HA ILE 30 HA ILE 30 3.140 1.793 -4.509 228 HB ILE 30 HB ILE 30 1.059 1.326 -6.703 229 HG12 ILE 30 HG12 ILE 30 -0.424 0.786 -4.650 230 HG13 ILE 30 HG11 ILE 30 0.865 1.449 -3.656 231 HG21 ILE 30 HG21 ILE 30 2.067 -0.728 -4.710 232 HG22 ILE 30 HG22 ILE 30 2.317 -0.770 -6.456 233 HG23 ILE 30 HG23 ILE 30 0.689 -0.939 -5.795 234 HD11 ILE 30 HD11 ILE 30 0.534 3.616 -4.697 235 HD12 ILE 30 HD12 ILE 30 -0.965 2.990 -3.992 236 HD13 ILE 30 HD13 ILE 30 -0.711 2.924 -5.740 237 H SER 31 HN SER 31 3.391 2.271 -8.030 238 HA SER 31 HA SER 31 5.032 0.018 -8.649 239 HB2 SER 31 HB2 SER 31 4.792 2.691 -10.126 240 HB3 SER 31 HB1 SER 31 5.395 1.170 -10.802 241 HG SER 31 HG SER 31 3.090 0.546 -9.835 242 H GLN 32 HN GLN 32 5.850 3.381 -7.717 243 HA GLN 32 HA GLN 32 8.694 3.065 -8.052 244 HB2 GLN 32 HB2 GLN 32 7.035 5.178 -6.618 245 HB3 GLN 32 HB1 GLN 32 8.791 5.252 -6.730 246 HG2 GLN 32 HG2 GLN 32 6.864 5.278 -9.074 247 HG3 GLN 32 HG1 GLN 32 7.702 6.680 -8.410 248 HE21 GLN 32 HE21 GLN 32 9.973 6.839 -8.705 249 HE22 GLN 32 HE22 GLN 32 10.771 5.985 -9.980 250 H MET 33 HN MET 33 6.442 2.492 -5.447 251 HA MET 33 HA MET 33 8.281 2.210 -3.260 252 HB2 MET 33 HB2 MET 33 5.561 0.898 -3.613 253 HB3 MET 33 HB1 MET 33 6.429 1.146 -2.103 254 HG2 MET 33 HG2 MET 33 6.114 3.569 -2.276 255 HG3 MET 33 HG1 MET 33 5.447 3.382 -3.870 256 HE1 MET 33 HE1 MET 33 4.477 0.784 -1.080 257 HE2 MET 33 HE2 MET 33 3.353 1.776 -0.145 258 HE3 MET 33 HE3 MET 33 5.056 2.230 -0.248 259 H VAL 34 HN VAL 34 6.883 0.043 -5.651 260 HA VAL 34 HA VAL 34 8.047 -2.415 -4.881 261 HB VAL 34 HB VAL 34 6.906 -1.383 -7.516 262 HG11 VAL 34 HG11 VAL 34 7.797 -4.241 -6.992 263 HG12 VAL 34 HG12 VAL 34 8.554 -3.106 -8.113 264 HG13 VAL 34 HG13 VAL 34 6.909 -3.665 -8.409 265 HG21 VAL 34 HG21 VAL 34 5.806 -3.402 -5.520 266 HG22 VAL 34 HG22 VAL 34 5.003 -2.875 -7.003 267 HG23 VAL 34 HG23 VAL 34 5.277 -1.726 -5.692 268 H ARG 35 HN ARG 35 8.998 0.008 -7.332 269 HA ARG 35 HA ARG 35 11.339 -1.340 -8.245 270 HB2 ARG 35 HB2 ARG 35 10.420 1.543 -8.580 271 HB3 ARG 35 HB1 ARG 35 11.850 0.888 -9.376 272 HG2 ARG 35 HG2 ARG 35 10.466 -0.702 -10.619 273 HG3 ARG 35 HG1 ARG 35 9.020 -0.135 -9.779 274 HD2 ARG 35 HD2 ARG 35 9.337 2.116 -10.768 275 HD3 ARG 35 HD1 ARG 35 10.778 1.536 -11.612 276 HE ARG 35 HE ARG 35 8.433 -0.015 -12.197 277 HH11 ARG 35 HH11 ARG 35 9.474 2.987 -14.687 278 HH12 ARG 35 HH12 ARG 35 10.168 2.926 -13.101 279 HH21 ARG 35 HH21 ARG 35 7.970 1.395 -15.350 280 HH22 ARG 35 HH22 ARG 35 7.513 0.113 -14.275 281 H ALA 36 HN ALA 36 10.759 0.874 -5.610 282 HA ALA 36 HA ALA 36 13.381 1.796 -5.078 283 HB1 ALA 36 HB1 ALA 36 11.376 2.777 -4.027 284 HB2 ALA 36 HB2 ALA 36 12.538 2.263 -2.802 285 HB3 ALA 36 HB3 ALA 36 11.102 1.283 -3.125 286 H GLY 37 HN GLY 37 11.991 -1.330 -4.832 287 HA2 GLY 37 HA2 GLY 37 12.821 -3.348 -4.146 288 HA3 GLY 37 HA1 GLY 37 14.341 -2.562 -3.739 289 H ARG 38 HN ARG 38 11.497 -1.203 -2.396 290 HA ARG 38 HA ARG 38 12.246 -2.098 0.309 291 HB2 ARG 38 HB2 ARG 38 12.147 0.329 -0.013 292 HB3 ARG 38 HB1 ARG 38 10.540 0.222 -0.717 293 HG2 ARG 38 HG2 ARG 38 10.441 1.102 1.567 294 HG3 ARG 38 HG1 ARG 38 9.605 -0.444 1.456 295 HD2 ARG 38 HD2 ARG 38 11.557 -1.575 2.484 296 HD3 ARG 38 HD1 ARG 38 12.390 -0.014 2.599 297 HE ARG 38 HE ARG 38 9.897 0.248 3.841 298 HH11 ARG 38 HH11 ARG 38 12.889 -1.505 4.439 299 HH12 ARG 38 HH12 ARG 38 12.667 -1.527 6.152 300 HH21 ARG 38 HH21 ARG 38 10.830 -0.531 7.086 301 HH22 ARG 38 HH22 ARG 38 9.647 0.242 6.079 302 H CYS 39 HN CYS 39 11.144 -3.863 0.990 303 HA CYS 39 HA CYS 39 8.610 -4.742 0.021 304 HB2 CYS 39 HB2 CYS 39 10.227 -6.315 1.039 305 HB3 CYS 39 HB1 CYS 39 10.082 -5.495 2.591 306 HG CYS 39 HG CYS 39 7.621 -7.260 0.997 307 H ILE 40 HN ILE 40 6.607 -4.059 0.647 308 HA ILE 40 HA ILE 40 6.444 -1.945 2.715 309 HB ILE 40 HB ILE 40 4.514 -2.462 0.403 310 HG12 ILE 40 HG12 ILE 40 6.748 -1.862 -0.489 311 HG13 ILE 40 HG11 ILE 40 5.561 -0.606 -0.802 312 HG21 ILE 40 HG21 ILE 40 3.488 -1.279 2.291 313 HG22 ILE 40 HG22 ILE 40 3.627 -0.235 0.878 314 HG23 ILE 40 HG23 ILE 40 4.757 -0.053 2.220 315 HD11 ILE 40 HD11 ILE 40 6.483 0.682 1.088 316 HD12 ILE 40 HD12 ILE 40 7.652 0.359 -0.196 317 HD13 ILE 40 HD13 ILE 40 7.709 -0.574 1.295 318 H ASP 41 HN ASP 41 4.802 -1.996 4.252 319 HA ASP 41 HA ASP 41 3.146 -4.442 4.500 320 HB2 ASP 41 HB2 ASP 41 3.850 -2.382 6.642 321 HB3 ASP 41 HB1 ASP 41 2.961 -3.885 6.894 322 H ILE 42 HN ILE 42 1.014 -4.211 4.326 323 HA ILE 42 HA ILE 42 -0.223 -1.572 3.945 324 HB ILE 42 HB ILE 42 -1.247 -4.350 3.153 325 HG12 ILE 42 HG12 ILE 42 0.640 -3.612 1.723 326 HG13 ILE 42 HG11 ILE 42 -0.860 -3.637 0.801 327 HG21 ILE 42 HG21 ILE 42 -3.148 -2.881 3.686 328 HG22 ILE 42 HG22 ILE 42 -3.079 -3.181 1.949 329 HG23 ILE 42 HG23 ILE 42 -2.524 -1.635 2.598 330 HD11 ILE 42 HD11 ILE 42 0.509 -1.202 1.932 331 HD12 ILE 42 HD12 ILE 42 -1.021 -1.195 1.044 332 HD13 ILE 42 HD13 ILE 42 0.463 -1.714 0.248 333 H GLU 43 HN GLU 43 -1.151 -0.829 5.732 334 HA GLU 43 HA GLU 43 -1.999 -2.376 7.973 335 HB2 GLU 43 HB2 GLU 43 -1.247 -0.132 8.375 336 HB3 GLU 43 HB1 GLU 43 -2.308 0.538 7.150 337 HG2 GLU 43 HG2 GLU 43 -3.082 1.124 9.380 338 HG3 GLU 43 HG1 GLU 43 -4.262 0.111 8.555 339 H LEU 44 HN LEU 44 -3.597 -3.786 7.596 340 HA LEU 44 HA LEU 44 -6.076 -3.069 6.207 341 HB2 LEU 44 HB2 LEU 44 -5.054 -5.250 5.667 342 HB3 LEU 44 HB1 LEU 44 -5.094 -5.715 7.359 343 HG LEU 44 HG LEU 44 -7.595 -5.744 7.299 344 HD11 LEU 44 HD11 LEU 44 -7.974 -4.059 5.572 345 HD12 LEU 44 HD12 LEU 44 -8.805 -5.563 5.187 346 HD13 LEU 44 HD13 LEU 44 -7.302 -5.143 4.340 347 HD21 LEU 44 HD21 LEU 44 -6.308 -7.804 6.803 348 HD22 LEU 44 HD22 LEU 44 -6.400 -7.424 5.074 349 HD23 LEU 44 HD23 LEU 44 -7.875 -7.762 5.996 350 H TYR 45 HN TYR 45 -7.540 -2.107 7.382 351 HA TYR 45 HA TYR 45 -7.760 -2.286 10.272 352 HB2 TYR 45 HB2 TYR 45 -9.400 -0.781 8.165 353 HB3 TYR 45 HB1 TYR 45 -9.636 -0.618 9.901 354 HD1 TYR 45 HD1 TYR 45 -7.907 0.535 11.290 355 HD2 TYR 45 HD2 TYR 45 -7.551 0.353 7.042 356 HE1 TYR 45 HE1 TYR 45 -6.247 2.343 11.357 357 HE2 TYR 45 HE2 TYR 45 -5.893 2.149 7.098 358 HH TYR 45 HH TYR 45 -4.343 3.149 9.916 359 H THR 46 HN THR 46 -9.771 -2.885 11.330 360 HA THR 46 HA THR 46 -10.753 -5.423 10.613 361 HB THR 46 HB THR 46 -11.902 -3.458 12.649 362 HG1 THR 46 HG1 THR 46 -9.554 -4.765 12.562 363 HG21 THR 46 HG21 THR 46 -12.729 -5.445 13.851 364 HG22 THR 46 HG22 THR 46 -12.101 -6.498 12.582 365 HG23 THR 46 HG23 THR 46 -13.427 -5.387 12.230 366 H ASP 47 HN ASP 47 -12.090 -2.185 10.143 367 HA ASP 47 HA ASP 47 -14.760 -2.973 9.423 368 HB2 ASP 47 HB2 ASP 47 -15.107 -0.616 8.868 369 HB3 ASP 47 HB1 ASP 47 -14.241 -0.740 10.393 370 H GLY 48 HN GLY 48 -11.795 -3.039 7.741 371 HA2 GLY 48 HA2 GLY 48 -11.671 -4.256 5.686 372 HA3 GLY 48 HA1 GLY 48 -13.203 -3.566 5.180 373 H ARG 49 HN ARG 49 -11.701 -0.977 6.485 374 HA ARG 49 HA ARG 49 -10.810 0.145 3.997 375 HB2 ARG 49 HB2 ARG 49 -11.670 1.557 5.901 376 HB3 ARG 49 HB1 ARG 49 -10.238 1.137 6.835 377 HG2 ARG 49 HG2 ARG 49 -8.816 2.251 5.108 378 HG3 ARG 49 HG1 ARG 49 -10.275 2.715 4.230 379 HD2 ARG 49 HD2 ARG 49 -10.992 4.099 6.118 380 HD3 ARG 49 HD1 ARG 49 -9.591 3.580 7.063 381 HE ARG 49 HE ARG 49 -9.598 5.405 4.755 382 HH11 ARG 49 HH11 ARG 49 -6.329 4.841 7.041 383 HH12 ARG 49 HH12 ARG 49 -7.703 3.822 7.264 384 HH21 ARG 49 HH21 ARG 49 -7.750 6.727 4.461 385 HH22 ARG 49 HH22 ARG 49 -6.350 6.481 5.463 386 H VAL 50 HN VAL 50 -8.663 0.621 3.368 387 HA VAL 50 HA VAL 50 -6.463 -0.642 4.889 388 HB VAL 50 HB VAL 50 -5.320 -1.232 2.777 389 HG11 VAL 50 HG11 VAL 50 -6.671 -2.934 3.885 390 HG12 VAL 50 HG12 VAL 50 -6.757 -3.144 2.139 391 HG13 VAL 50 HG13 VAL 50 -8.110 -2.416 3.003 392 HG21 VAL 50 HG21 VAL 50 -6.291 0.459 1.268 393 HG22 VAL 50 HG22 VAL 50 -7.865 -0.334 1.356 394 HG23 VAL 50 HG23 VAL 50 -6.500 -1.161 0.597 395 H GLU 51 HN GLU 51 -4.490 0.376 4.758 396 HA GLU 51 HA GLU 51 -4.129 2.888 3.357 397 HB2 GLU 51 HB2 GLU 51 -5.235 3.479 5.563 398 HB3 GLU 51 HB1 GLU 51 -3.872 2.740 6.402 399 HG2 GLU 51 HG2 GLU 51 -2.354 4.399 5.356 400 HG3 GLU 51 HG1 GLU 51 -3.732 5.146 4.549 401 H CYS 52 HN CYS 52 -1.933 3.169 2.918 402 HA CYS 52 HA CYS 52 -0.161 0.944 3.654 403 HB2 CYS 52 HB2 CYS 52 -0.329 1.430 1.253 404 HB3 CYS 52 HB1 CYS 52 0.144 3.105 1.538 405 HG CYS 52 HG CYS 52 2.066 0.758 0.700 406 H ARG 53 HN ARG 53 0.799 1.297 5.514 407 HA ARG 53 HA ARG 53 1.144 3.731 6.849 408 HB2 ARG 53 HB2 ARG 53 2.533 2.408 8.449 409 HB3 ARG 53 HB1 ARG 53 1.026 1.595 8.030 410 HG2 ARG 53 HG2 ARG 53 2.269 0.178 6.404 411 HG3 ARG 53 HG1 ARG 53 3.773 0.955 6.903 412 HD2 ARG 53 HD2 ARG 53 1.958 -0.784 8.605 413 HD3 ARG 53 HD1 ARG 53 3.563 -1.196 7.998 414 HE ARG 53 HE ARG 53 2.907 0.590 10.214 415 HH11 ARG 53 HH11 ARG 53 6.724 -0.420 9.376 416 HH12 ARG 53 HH12 ARG 53 5.478 -0.841 8.239 417 HH21 ARG 53 HH21 ARG 53 6.202 0.714 11.298 418 HH22 ARG 53 HH22 ARG 53 4.560 1.165 11.640 419 H GLU 54 HN GLU 54 3.272 2.053 4.593 420 HA GLU 54 HA GLU 54 5.646 3.603 5.140 421 HB2 GLU 54 HB2 GLU 54 5.708 1.263 4.264 422 HB3 GLU 54 HB1 GLU 54 5.015 1.837 2.755 423 HG2 GLU 54 HG2 GLU 54 7.386 1.571 2.443 424 HG3 GLU 54 HG1 GLU 54 7.020 3.292 2.415 425 H LEU 55 HN LEU 55 2.988 3.765 2.832 426 HA LEU 55 HA LEU 55 4.318 5.546 1.022 427 HB2 LEU 55 HB2 LEU 55 2.683 3.785 0.274 428 HB3 LEU 55 HB1 LEU 55 1.392 4.703 1.014 429 HG LEU 55 HG LEU 55 1.726 4.885 -1.559 430 HD11 LEU 55 HD11 LEU 55 1.028 7.205 -1.682 431 HD12 LEU 55 HD12 LEU 55 1.515 7.459 -0.003 432 HD13 LEU 55 HD13 LEU 55 0.196 6.350 -0.384 433 HD21 LEU 55 HD21 LEU 55 3.339 6.525 -2.363 434 HD22 LEU 55 HD22 LEU 55 4.160 5.206 -1.537 435 HD23 LEU 55 HD23 LEU 55 3.959 6.762 -0.728 436 H ARG 56 HN ARG 56 4.793 7.291 2.200 437 HA ARG 56 HA ARG 56 2.972 9.099 3.395 438 HB2 ARG 56 HB2 ARG 56 5.736 9.416 2.209 439 HB3 ARG 56 HB1 ARG 56 4.837 10.815 2.798 440 HG2 ARG 56 HG2 ARG 56 4.673 9.747 5.038 441 HG3 ARG 56 HG1 ARG 56 5.644 8.389 4.448 442 HD2 ARG 56 HD2 ARG 56 7.577 9.724 4.236 443 HD3 ARG 56 HD1 ARG 56 6.658 11.231 4.253 444 HE ARG 56 HE ARG 56 7.213 9.516 6.603 445 HH11 ARG 56 HH11 ARG 56 6.427 13.471 6.794 446 HH12 ARG 56 HH12 ARG 56 6.322 12.656 5.265 447 HH21 ARG 56 HH21 ARG 56 7.363 10.621 8.610 448 HH22 ARG 56 HH22 ARG 56 7.013 12.312 8.685 449 HA PRO 57 HA PRO 57 1.136 10.931 -0.377 450 HB2 PRO 57 HB2 PRO 57 0.546 13.308 1.347 451 HB3 PRO 57 HB1 PRO 57 -0.578 12.257 0.458 452 HG2 PRO 57 HG2 PRO 57 -0.443 12.137 3.129 453 HG3 PRO 57 HG1 PRO 57 -0.667 10.661 2.158 454 HD2 PRO 57 HD2 PRO 57 1.887 11.718 3.397 455 HD3 PRO 57 HD1 PRO 57 1.224 10.064 3.421 456 H ASP 58 HN ASP 58 3.850 12.021 1.355 457 HA ASP 58 HA ASP 58 4.435 14.462 -0.067 458 HB2 ASP 58 HB2 ASP 58 6.339 12.706 1.558 459 HB3 ASP 58 HB1 ASP 58 6.655 14.355 1.029 460 H VAL 59 HN VAL 59 4.924 11.090 -0.606 461 HA VAL 59 HA VAL 59 7.245 10.901 -2.111 462 HB VAL 59 HB VAL 59 4.643 9.317 -2.354 463 HG11 VAL 59 HG11 VAL 59 7.384 8.557 -3.484 464 HG12 VAL 59 HG12 VAL 59 5.962 8.983 -4.431 465 HG13 VAL 59 HG13 VAL 59 5.959 7.513 -3.463 466 HG21 VAL 59 HG21 VAL 59 5.701 9.166 -0.141 467 HG22 VAL 59 HG22 VAL 59 7.227 8.670 -0.883 468 HG23 VAL 59 HG23 VAL 59 5.809 7.622 -0.994 469 H PHE 60 HN PHE 60 3.986 11.800 -3.193 470 HA PHE 60 HA PHE 60 5.059 13.117 -5.593 471 HB2 PHE 60 HB2 PHE 60 2.854 10.989 -5.629 472 HB3 PHE 60 HB1 PHE 60 3.084 12.139 -6.939 473 HD1 PHE 60 HD1 PHE 60 5.615 12.264 -7.857 474 HD2 PHE 60 HD2 PHE 60 3.902 8.873 -5.869 475 HE1 PHE 60 HE1 PHE 60 7.286 10.798 -8.900 476 HE2 PHE 60 HE2 PHE 60 5.574 7.418 -6.941 477 HZ PHE 60 HZ PHE 60 7.267 8.380 -8.450 478 H GLY 61 HN GLY 61 2.727 14.074 -6.688 479 HA2 GLY 61 HA2 GLY 61 1.599 15.962 -4.881 480 HA3 GLY 61 HA1 GLY 61 0.981 15.553 -6.474 481 H ALA 62 HN ALA 62 0.859 12.684 -5.663 482 HA ALA 62 HA ALA 62 -0.411 11.097 -4.771 483 HB1 ALA 62 HB1 ALA 62 0.328 11.973 -2.584 484 HB2 ALA 62 HB2 ALA 62 -1.316 11.331 -2.501 485 HB3 ALA 62 HB3 ALA 62 -1.054 13.075 -2.552 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -7.575 -2.712 13.273 2 H2 MET 1 HT2 MET 1 -6.314 -3.562 14.009 3 H3 MET 1 HT3 MET 1 -7.281 -4.325 12.854 4 HA MET 1 HA MET 1 -6.488 -2.931 11.137 5 HB2 MET 1 HB2 MET 1 -4.775 -1.224 11.518 6 HB3 MET 1 HB1 MET 1 -6.166 -0.885 12.527 7 HG2 MET 1 HG2 MET 1 -4.859 -1.982 14.438 8 HG3 MET 1 HG1 MET 1 -3.455 -1.923 13.377 9 HE1 MET 1 HE1 MET 1 -4.111 0.969 11.853 10 HE2 MET 1 HE2 MET 1 -2.503 0.441 12.348 11 HE3 MET 1 HE3 MET 1 -3.108 2.017 12.858 12 H LYS 2 HN LYS 2 -5.360 -4.395 10.008 13 HA LYS 2 HA LYS 2 -2.987 -5.733 11.111 14 HB2 LYS 2 HB2 LYS 2 -3.834 -7.885 10.260 15 HB3 LYS 2 HB1 LYS 2 -4.953 -7.177 11.415 16 HG2 LYS 2 HG2 LYS 2 -6.342 -6.358 9.476 17 HG3 LYS 2 HG1 LYS 2 -5.293 -7.290 8.403 18 HD2 LYS 2 HD2 LYS 2 -7.028 -8.395 10.649 19 HD3 LYS 2 HD1 LYS 2 -7.347 -8.542 8.918 20 HE2 LYS 2 HE2 LYS 2 -5.378 -9.954 8.634 21 HE3 LYS 2 HE1 LYS 2 -4.910 -9.707 10.317 22 HZ1 LYS 2 HZ1 LYS 2 -7.343 -11.101 9.368 23 HZ2 LYS 2 HZ2 LYS 2 -6.955 -10.822 10.985 24 HZ3 LYS 2 HZ3 LYS 2 -5.975 -11.827 10.041 25 H LYS 3 HN LYS 3 -1.361 -6.063 9.558 26 HA LYS 3 HA LYS 3 -1.719 -4.591 7.044 27 HB2 LYS 3 HB2 LYS 3 0.704 -4.510 6.904 28 HB3 LYS 3 HB1 LYS 3 0.198 -4.003 8.511 29 HG2 LYS 3 HG2 LYS 3 0.870 -6.140 9.464 30 HG3 LYS 3 HG1 LYS 3 1.213 -6.785 7.856 31 HD2 LYS 3 HD2 LYS 3 2.964 -4.978 7.608 32 HD3 LYS 3 HD1 LYS 3 2.715 -4.585 9.312 33 HE2 LYS 3 HE2 LYS 3 3.475 -6.806 9.967 34 HE3 LYS 3 HE1 LYS 3 3.571 -7.315 8.279 35 HZ1 LYS 3 HZ1 LYS 3 5.254 -5.562 7.950 36 HZ2 LYS 3 HZ2 LYS 3 5.736 -6.766 9.036 37 HZ3 LYS 3 HZ3 LYS 3 5.234 -5.261 9.615 38 H ILE 4 HN ILE 4 -1.356 -5.446 5.047 39 HA ILE 4 HA ILE 4 -0.700 -8.326 4.720 40 HB ILE 4 HB ILE 4 -2.333 -6.518 2.886 41 HG12 ILE 4 HG12 ILE 4 -3.231 -8.810 4.672 42 HG13 ILE 4 HG11 ILE 4 -3.712 -7.118 4.787 43 HG21 ILE 4 HG21 ILE 4 -1.055 -8.174 1.567 44 HG22 ILE 4 HG22 ILE 4 -2.791 -8.448 1.451 45 HG23 ILE 4 HG23 ILE 4 -1.798 -9.483 2.490 46 HD11 ILE 4 HD11 ILE 4 -4.807 -7.365 2.555 47 HD12 ILE 4 HD12 ILE 4 -5.505 -8.350 3.845 48 HD13 ILE 4 HD13 ILE 4 -4.446 -9.092 2.647 49 HA PRO 5 HA PRO 5 2.926 -6.720 2.429 50 HB2 PRO 5 HB2 PRO 5 2.800 -9.325 0.942 51 HB3 PRO 5 HB1 PRO 5 4.125 -8.656 1.919 52 HG2 PRO 5 HG2 PRO 5 2.696 -10.724 2.826 53 HG3 PRO 5 HG1 PRO 5 3.224 -9.431 3.930 54 HD2 PRO 5 HD2 PRO 5 0.517 -9.804 2.639 55 HD3 PRO 5 HD1 PRO 5 0.889 -9.425 4.333 56 H LEU 6 HN LEU 6 3.081 -5.587 0.486 57 HA LEU 6 HA LEU 6 0.803 -4.775 -0.836 58 HB2 LEU 6 HB2 LEU 6 2.870 -3.471 -0.796 59 HB3 LEU 6 HB1 LEU 6 3.693 -4.675 -1.768 60 HG LEU 6 HG LEU 6 2.176 -4.146 -3.679 61 HD11 LEU 6 HD11 LEU 6 0.786 -2.139 -3.673 62 HD12 LEU 6 HD12 LEU 6 1.129 -1.892 -1.958 63 HD13 LEU 6 HD13 LEU 6 0.235 -3.319 -2.486 64 HD21 LEU 6 HD21 LEU 6 4.377 -3.080 -3.571 65 HD22 LEU 6 HD22 LEU 6 3.701 -1.728 -2.662 66 HD23 LEU 6 HD23 LEU 6 3.196 -2.019 -4.331 67 H SER 7 HN SER 7 3.348 -6.912 -2.066 68 HA SER 7 HA SER 7 2.361 -7.466 -4.590 69 HB2 SER 7 HB2 SER 7 3.817 -9.585 -4.373 70 HB3 SER 7 HB1 SER 7 4.620 -8.040 -4.106 71 HG SER 7 HG SER 7 4.288 -10.118 -2.401 72 H LYS 8 HN LYS 8 1.760 -9.252 -1.538 73 HA LYS 8 HA LYS 8 0.089 -11.258 -2.709 74 HB2 LYS 8 HB2 LYS 8 1.244 -11.659 -0.576 75 HB3 LYS 8 HB1 LYS 8 0.276 -10.409 0.210 76 HG2 LYS 8 HG2 LYS 8 -1.737 -11.688 -0.028 77 HG3 LYS 8 HG1 LYS 8 -0.971 -12.828 -1.132 78 HD2 LYS 8 HD2 LYS 8 0.436 -13.651 0.738 79 HD3 LYS 8 HD1 LYS 8 -0.397 -12.543 1.837 80 HE2 LYS 8 HE2 LYS 8 -2.527 -13.683 1.417 81 HE3 LYS 8 HE1 LYS 8 -1.764 -14.732 0.220 82 HZ1 LYS 8 HZ1 LYS 8 -1.175 -14.676 3.124 83 HZ2 LYS 8 HZ2 LYS 8 -0.386 -15.646 1.989 84 HZ3 LYS 8 HZ3 LYS 8 -2.036 -15.872 2.291 85 H TYR 9 HN TYR 9 -0.576 -8.144 -1.181 86 HA TYR 9 HA TYR 9 -3.389 -8.284 -0.974 87 HB2 TYR 9 HB2 TYR 9 -2.094 -6.556 0.205 88 HB3 TYR 9 HB1 TYR 9 -1.568 -5.861 -1.313 89 HD1 TYR 9 HD1 TYR 9 -4.356 -6.171 1.050 90 HD2 TYR 9 HD2 TYR 9 -3.151 -4.496 -2.705 91 HE1 TYR 9 HE1 TYR 9 -6.352 -4.770 1.024 92 HE2 TYR 9 HE2 TYR 9 -5.162 -3.093 -2.715 93 HH TYR 9 HH TYR 9 -7.183 -2.748 -0.001 94 H LEU 10 HN LEU 10 -1.241 -7.239 -3.568 95 HA LEU 10 HA LEU 10 -3.185 -6.226 -5.349 96 HB2 LEU 10 HB2 LEU 10 -0.373 -7.218 -5.898 97 HB3 LEU 10 HB1 LEU 10 -1.362 -6.313 -7.036 98 HG LEU 10 HG LEU 10 -0.323 -5.268 -4.375 99 HD11 LEU 10 HD11 LEU 10 1.473 -5.496 -5.991 100 HD12 LEU 10 HD12 LEU 10 1.126 -3.794 -5.697 101 HD13 LEU 10 HD13 LEU 10 0.562 -4.565 -7.182 102 HD21 LEU 10 HD21 LEU 10 -1.926 -3.766 -6.481 103 HD22 LEU 10 HD22 LEU 10 -1.231 -3.071 -5.013 104 HD23 LEU 10 HD23 LEU 10 -2.516 -4.269 -4.892 105 H GLU 11 HN GLU 11 -1.961 -9.425 -4.728 106 HA GLU 11 HA GLU 11 -3.220 -10.674 -7.038 107 HB2 GLU 11 HB2 GLU 11 -2.048 -11.946 -4.529 108 HB3 GLU 11 HB1 GLU 11 -2.476 -12.791 -6.016 109 HG2 GLU 11 HG2 GLU 11 -0.285 -10.731 -5.680 110 HG3 GLU 11 HG1 GLU 11 -0.066 -12.466 -5.852 111 H GLU 12 HN GLU 12 -4.005 -10.162 -3.622 112 HA GLU 12 HA GLU 12 -6.029 -12.292 -3.661 113 HB2 GLU 12 HB2 GLU 12 -4.254 -12.266 -1.898 114 HB3 GLU 12 HB1 GLU 12 -4.882 -10.737 -1.304 115 HG2 GLU 12 HG2 GLU 12 -5.671 -12.468 0.147 116 HG3 GLU 12 HG1 GLU 12 -7.047 -11.883 -0.784 117 H HIS 13 HN HIS 13 -5.798 -8.874 -2.535 118 HA HIS 13 HA HIS 13 -8.687 -8.868 -1.966 119 HB2 HIS 13 HB2 HIS 13 -6.349 -7.209 -1.034 120 HB3 HIS 13 HB1 HIS 13 -7.957 -6.518 -0.935 121 HD1 HIS 13 HD1 HIS 13 -8.920 -6.816 1.316 122 HD2 HIS 13 HD2 HIS 13 -6.451 -9.988 0.276 123 HE1 HIS 13 HE1 HIS 13 -8.922 -8.341 3.290 124 HE2 HIS 13 HE2 HIS 13 -7.657 -10.371 2.533 125 H GLY 14 HN GLY 14 -6.283 -6.871 -3.684 126 HA2 GLY 14 HA2 GLY 14 -8.272 -5.845 -5.528 127 HA3 GLY 14 HA1 GLY 14 -7.695 -4.668 -4.350 128 H THR 15 HN THR 15 -7.336 -4.456 -7.152 129 HA THR 15 HA THR 15 -4.652 -5.324 -7.879 130 HB THR 15 HB THR 15 -5.299 -4.095 -10.081 131 HG1 THR 15 HG1 THR 15 -7.973 -4.240 -9.211 132 HG21 THR 15 HG21 THR 15 -7.039 -6.410 -9.164 133 HG22 THR 15 HG22 THR 15 -5.447 -6.541 -9.907 134 HG23 THR 15 HG23 THR 15 -6.803 -5.910 -10.841 135 H GLN 16 HN GLN 16 -3.472 -3.500 -9.266 136 HA GLN 16 HA GLN 16 -2.487 -1.614 -7.388 137 HB2 GLN 16 HB2 GLN 16 -1.989 -1.763 -10.392 138 HB3 GLN 16 HB1 GLN 16 -1.109 -0.718 -9.289 139 HG2 GLN 16 HG2 GLN 16 0.335 -2.527 -9.620 140 HG3 GLN 16 HG1 GLN 16 -0.401 -2.865 -8.061 141 HE21 GLN 16 HE21 GLN 16 -1.953 -4.545 -7.936 142 HE22 GLN 16 HE22 GLN 16 -2.021 -5.792 -9.115 143 H SER 17 HN SER 17 -4.701 -1.425 -10.086 144 HA SER 17 HA SER 17 -5.159 1.381 -10.148 145 HB2 SER 17 HB2 SER 17 -7.016 -0.872 -11.014 146 HB3 SER 17 HB1 SER 17 -7.071 0.805 -11.565 147 HG SER 17 HG SER 17 -5.693 0.256 -13.035 148 H ALA 18 HN ALA 18 -6.851 -1.363 -8.630 149 HA ALA 18 HA ALA 18 -8.999 -0.001 -7.408 150 HB1 ALA 18 HB1 ALA 18 -8.923 -2.471 -7.680 151 HB2 ALA 18 HB2 ALA 18 -9.287 -2.001 -6.019 152 HB3 ALA 18 HB3 ALA 18 -7.665 -2.560 -6.440 153 H LEU 19 HN LEU 19 -5.736 -0.664 -6.346 154 HA LEU 19 HA LEU 19 -6.132 0.050 -3.604 155 HB2 LEU 19 HB2 LEU 19 -4.404 -1.569 -4.185 156 HB3 LEU 19 HB1 LEU 19 -3.593 -0.395 -5.210 157 HG LEU 19 HG LEU 19 -3.064 0.979 -3.200 158 HD11 LEU 19 HD11 LEU 19 -4.888 0.336 -1.705 159 HD12 LEU 19 HD12 LEU 19 -3.333 0.083 -0.922 160 HD13 LEU 19 HD13 LEU 19 -4.230 -1.296 -1.558 161 HD21 LEU 19 HD21 LEU 19 -2.054 -1.880 -3.075 162 HD22 LEU 19 HD22 LEU 19 -1.280 -0.479 -2.328 163 HD23 LEU 19 HD23 LEU 19 -1.412 -0.578 -4.081 164 H ALA 20 HN ALA 20 -4.479 1.553 -6.388 165 HA ALA 20 HA ALA 20 -3.779 4.051 -5.310 166 HB1 ALA 20 HB1 ALA 20 -2.957 3.224 -7.494 167 HB2 ALA 20 HB2 ALA 20 -3.669 4.830 -7.657 168 HB3 ALA 20 HB3 ALA 20 -4.572 3.406 -8.184 169 H ALA 21 HN ALA 21 -6.868 2.897 -6.636 170 HA ALA 21 HA ALA 21 -8.299 5.362 -6.625 171 HB1 ALA 21 HB1 ALA 21 -10.326 3.953 -6.772 172 HB2 ALA 21 HB2 ALA 21 -9.365 2.526 -6.375 173 HB3 ALA 21 HB3 ALA 21 -9.073 3.387 -7.884 174 H ALA 22 HN ALA 22 -7.799 2.812 -4.210 175 HA ALA 22 HA ALA 22 -9.525 3.893 -2.175 176 HB1 ALA 22 HB1 ALA 22 -7.345 1.794 -1.939 177 HB2 ALA 22 HB2 ALA 22 -9.040 1.473 -2.309 178 HB3 ALA 22 HB3 ALA 22 -8.587 2.130 -0.732 179 H LEU 23 HN LEU 23 -6.205 4.400 -3.121 180 HA LEU 23 HA LEU 23 -5.500 5.827 -0.652 181 HB2 LEU 23 HB2 LEU 23 -3.811 5.372 -3.140 182 HB3 LEU 23 HB1 LEU 23 -3.246 6.023 -1.608 183 HG LEU 23 HG LEU 23 -4.134 3.173 -2.171 184 HD11 LEU 23 HD11 LEU 23 -1.410 4.244 -1.405 185 HD12 LEU 23 HD12 LEU 23 -1.901 3.663 -2.997 186 HD13 LEU 23 HD13 LEU 23 -1.831 2.542 -1.640 187 HD21 LEU 23 HD21 LEU 23 -4.945 3.742 0.040 188 HD22 LEU 23 HD22 LEU 23 -3.363 4.374 0.505 189 HD23 LEU 23 HD23 LEU 23 -3.568 2.650 0.188 190 H GLY 24 HN GLY 24 -6.918 6.490 -3.668 191 HA2 GLY 24 HA2 GLY 24 -7.553 8.422 -4.739 192 HA3 GLY 24 HA1 GLY 24 -6.966 9.335 -3.355 193 H VAL 25 HN VAL 25 -4.713 7.189 -4.857 194 HA VAL 25 HA VAL 25 -3.206 9.462 -6.005 195 HB VAL 25 HB VAL 25 -1.160 8.250 -5.556 196 HG11 VAL 25 HG11 VAL 25 -2.936 8.017 -3.108 197 HG12 VAL 25 HG12 VAL 25 -2.136 9.497 -3.652 198 HG13 VAL 25 HG13 VAL 25 -1.175 8.121 -3.112 199 HG21 VAL 25 HG21 VAL 25 -1.831 5.936 -6.093 200 HG22 VAL 25 HG22 VAL 25 -2.845 5.867 -4.649 201 HG23 VAL 25 HG23 VAL 25 -1.093 5.992 -4.489 202 H ASN 26 HN ASN 26 -1.644 8.679 -7.787 203 HA ASN 26 HA ASN 26 -3.042 7.071 -9.791 204 HB2 ASN 26 HB2 ASN 26 -0.548 8.805 -9.881 205 HB3 ASN 26 HB1 ASN 26 -1.022 7.785 -11.236 206 HD21 ASN 26 HD21 ASN 26 -1.926 10.580 -9.304 207 HD22 ASN 26 HD22 ASN 26 -3.019 11.253 -10.451 208 H GLN 27 HN GLN 27 -1.826 5.396 -10.954 209 HA GLN 27 HA GLN 27 -0.683 3.439 -9.231 210 HB2 GLN 27 HB2 GLN 27 -0.981 3.603 -12.248 211 HB3 GLN 27 HB1 GLN 27 -0.245 2.213 -11.453 212 HG2 GLN 27 HG2 GLN 27 -2.359 1.846 -10.188 213 HG3 GLN 27 HG1 GLN 27 -3.084 3.203 -11.058 214 HE21 GLN 27 HE21 GLN 27 -1.761 -0.033 -11.414 215 HE22 GLN 27 HE22 GLN 27 -2.568 -0.409 -12.890 216 H SER 28 HN SER 28 0.740 6.065 -10.940 217 HA SER 28 HA SER 28 3.377 5.245 -11.405 218 HB2 SER 28 HB2 SER 28 3.918 7.694 -11.150 219 HB3 SER 28 HB1 SER 28 2.504 7.403 -12.164 220 HG SER 28 HG SER 28 2.680 8.564 -9.648 221 H ALA 29 HN ALA 29 1.825 6.460 -8.474 222 HA ALA 29 HA ALA 29 3.995 6.513 -6.655 223 HB1 ALA 29 HB1 ALA 29 1.782 7.553 -6.206 224 HB2 ALA 29 HB2 ALA 29 2.263 6.465 -4.910 225 HB3 ALA 29 HB3 ALA 29 1.049 5.947 -6.085 226 H ILE 30 HN ILE 30 1.550 3.993 -7.322 227 HA ILE 30 HA ILE 30 2.509 2.018 -5.556 228 HB ILE 30 HB ILE 30 1.030 1.470 -8.164 229 HG12 ILE 30 HG12 ILE 30 -0.212 3.164 -6.878 230 HG13 ILE 30 HG11 ILE 30 -1.084 1.639 -6.866 231 HG21 ILE 30 HG21 ILE 30 1.157 -0.192 -5.611 232 HG22 ILE 30 HG22 ILE 30 1.935 -0.579 -7.145 233 HG23 ILE 30 HG23 ILE 30 0.175 -0.571 -7.033 234 HD11 ILE 30 HD11 ILE 30 -1.206 2.711 -4.704 235 HD12 ILE 30 HD12 ILE 30 0.553 2.790 -4.604 236 HD13 ILE 30 HD13 ILE 30 -0.264 1.226 -4.573 237 H SER 31 HN SER 31 3.321 2.697 -8.919 238 HA SER 31 HA SER 31 4.892 0.404 -9.488 239 HB2 SER 31 HB2 SER 31 4.833 3.156 -10.807 240 HB3 SER 31 HB1 SER 31 5.632 1.736 -11.488 241 HG SER 31 HG SER 31 3.561 0.719 -11.539 242 H GLN 32 HN GLN 32 5.674 3.676 -8.305 243 HA GLN 32 HA GLN 32 8.497 3.471 -8.342 244 HB2 GLN 32 HB2 GLN 32 7.430 5.633 -8.186 245 HB3 GLN 32 HB1 GLN 32 6.620 5.202 -6.690 246 HG2 GLN 32 HG2 GLN 32 9.606 5.127 -6.605 247 HG3 GLN 32 HG1 GLN 32 8.893 6.721 -6.829 248 HE21 GLN 32 HE21 GLN 32 9.711 7.335 -4.761 249 HE22 GLN 32 HE22 GLN 32 8.962 6.815 -3.297 250 H MET 33 HN MET 33 6.106 2.626 -5.970 251 HA MET 33 HA MET 33 7.759 1.881 -3.777 252 HB2 MET 33 HB2 MET 33 4.928 1.039 -4.467 253 HB3 MET 33 HB1 MET 33 5.686 0.930 -2.885 254 HG2 MET 33 HG2 MET 33 5.861 3.681 -3.769 255 HG3 MET 33 HG1 MET 33 4.211 3.126 -3.997 256 HE1 MET 33 HE1 MET 33 4.095 0.906 -1.727 257 HE2 MET 33 HE2 MET 33 2.779 2.016 -2.148 258 HE3 MET 33 HE3 MET 33 3.284 1.843 -0.466 259 H VAL 34 HN VAL 34 6.369 0.138 -6.508 260 HA VAL 34 HA VAL 34 7.161 -2.506 -5.781 261 HB VAL 34 HB VAL 34 6.210 -1.234 -8.381 262 HG11 VAL 34 HG11 VAL 34 6.802 -4.197 -8.018 263 HG12 VAL 34 HG12 VAL 34 7.699 -3.074 -9.042 264 HG13 VAL 34 HG13 VAL 34 6.019 -3.450 -9.418 265 HG21 VAL 34 HG21 VAL 34 4.858 -3.224 -6.497 266 HG22 VAL 34 HG22 VAL 34 4.148 -2.544 -7.964 267 HG23 VAL 34 HG23 VAL 34 4.518 -1.494 -6.600 268 H ARG 35 HN ARG 35 8.582 -0.044 -7.937 269 HA ARG 35 HA ARG 35 10.788 -1.662 -8.835 270 HB2 ARG 35 HB2 ARG 35 10.336 1.338 -9.004 271 HB3 ARG 35 HB1 ARG 35 11.639 0.477 -9.819 272 HG2 ARG 35 HG2 ARG 35 10.006 -0.741 -11.192 273 HG3 ARG 35 HG1 ARG 35 8.680 0.038 -10.325 274 HD2 ARG 35 HD2 ARG 35 10.719 1.384 -12.129 275 HD3 ARG 35 HD1 ARG 35 8.997 1.160 -12.462 276 HE ARG 35 HE ARG 35 10.025 2.864 -10.256 277 HH11 ARG 35 HH11 ARG 35 7.792 2.459 -12.946 278 HH12 ARG 35 HH12 ARG 35 7.019 3.982 -12.657 279 HH21 ARG 35 HH21 ARG 35 8.971 4.816 -9.913 280 HH22 ARG 35 HH22 ARG 35 7.681 5.311 -10.951 281 H ALA 36 HN ALA 36 10.195 0.319 -6.047 282 HA ALA 36 HA ALA 36 12.855 0.928 -5.273 283 HB1 ALA 36 HB1 ALA 36 10.895 2.001 -4.226 284 HB2 ALA 36 HB2 ALA 36 11.921 1.248 -3.002 285 HB3 ALA 36 HB3 ALA 36 10.423 0.460 -3.505 286 H GLY 37 HN GLY 37 10.982 -2.006 -5.181 287 HA2 GLY 37 HA2 GLY 37 11.602 -4.190 -4.816 288 HA3 GLY 37 HA1 GLY 37 13.223 -3.650 -4.392 289 H ARG 38 HN ARG 38 10.864 -1.950 -2.683 290 HA ARG 38 HA ARG 38 11.437 -3.391 -0.191 291 HB2 ARG 38 HB2 ARG 38 10.489 -0.606 -0.887 292 HB3 ARG 38 HB1 ARG 38 10.035 -1.255 0.675 293 HG2 ARG 38 HG2 ARG 38 12.011 0.167 0.859 294 HG3 ARG 38 HG1 ARG 38 12.384 -1.490 1.319 295 HD2 ARG 38 HD2 ARG 38 13.001 -0.410 -1.446 296 HD3 ARG 38 HD1 ARG 38 14.127 -0.234 -0.097 297 HE ARG 38 HE ARG 38 13.274 -2.949 -0.492 298 HH11 ARG 38 HH11 ARG 38 16.750 -1.825 -2.108 299 HH12 ARG 38 HH12 ARG 38 15.642 -0.609 -1.566 300 HH21 ARG 38 HH21 ARG 38 16.230 -4.030 -1.959 301 HH22 ARG 38 HH22 ARG 38 14.708 -4.524 -1.291 302 H CYS 39 HN CYS 39 10.045 -4.882 0.496 303 HA CYS 39 HA CYS 39 7.409 -5.299 -0.455 304 HB2 CYS 39 HB2 CYS 39 8.631 -6.280 2.167 305 HB3 CYS 39 HB1 CYS 39 7.246 -6.978 1.326 306 HG CYS 39 HG CYS 39 9.439 -7.101 -0.931 307 H ILE 40 HN ILE 40 5.619 -4.153 0.023 308 HA ILE 40 HA ILE 40 5.829 -2.018 2.036 309 HB ILE 40 HB ILE 40 3.900 -2.318 -0.305 310 HG12 ILE 40 HG12 ILE 40 6.207 -1.947 -1.102 311 HG13 ILE 40 HG11 ILE 40 5.190 -0.553 -1.433 312 HG21 ILE 40 HG21 ILE 40 2.914 -1.027 1.530 313 HG22 ILE 40 HG22 ILE 40 3.197 -0.046 0.100 314 HG23 ILE 40 HG23 ILE 40 4.287 0.082 1.479 315 HD11 ILE 40 HD11 ILE 40 6.188 0.624 0.470 316 HD12 ILE 40 HD12 ILE 40 7.396 0.126 -0.715 317 HD13 ILE 40 HD13 ILE 40 7.220 -0.774 0.790 318 H ASP 41 HN ASP 41 4.250 -1.636 3.562 319 HA ASP 41 HA ASP 41 2.464 -3.871 4.250 320 HB2 ASP 41 HB2 ASP 41 2.945 -1.388 5.948 321 HB3 ASP 41 HB1 ASP 41 2.415 -2.984 6.469 322 H ILE 42 HN ILE 42 0.402 -3.767 3.568 323 HA ILE 42 HA ILE 42 -0.951 -1.168 3.149 324 HB ILE 42 HB ILE 42 -1.868 -3.956 2.280 325 HG12 ILE 42 HG12 ILE 42 0.161 -3.280 1.030 326 HG13 ILE 42 HG11 ILE 42 -1.243 -3.269 -0.029 327 HG21 ILE 42 HG21 ILE 42 -2.994 -1.206 1.601 328 HG22 ILE 42 HG22 ILE 42 -3.759 -2.419 2.627 329 HG23 ILE 42 HG23 ILE 42 -3.550 -2.733 0.904 330 HD11 ILE 42 HD11 ILE 42 0.069 -0.833 1.201 331 HD12 ILE 42 HD12 ILE 42 -1.343 -0.817 0.143 332 HD13 ILE 42 HD13 ILE 42 0.213 -1.368 -0.473 333 H GLU 43 HN GLU 43 -2.064 -0.495 4.862 334 HA GLU 43 HA GLU 43 -2.723 -2.175 7.078 335 HB2 GLU 43 HB2 GLU 43 -2.057 0.256 7.225 336 HB3 GLU 43 HB1 GLU 43 -3.622 0.681 6.549 337 HG2 GLU 43 HG2 GLU 43 -3.640 0.959 8.959 338 HG3 GLU 43 HG1 GLU 43 -4.752 -0.334 8.495 339 H LEU 44 HN LEU 44 -4.476 -3.323 7.356 340 HA LEU 44 HA LEU 44 -6.871 -2.955 5.664 341 HB2 LEU 44 HB2 LEU 44 -5.454 -5.373 6.691 342 HB3 LEU 44 HB1 LEU 44 -7.196 -5.464 6.756 343 HG LEU 44 HG LEU 44 -6.155 -6.482 4.709 344 HD11 LEU 44 HD11 LEU 44 -8.145 -4.251 4.211 345 HD12 LEU 44 HD12 LEU 44 -8.519 -5.894 4.735 346 HD13 LEU 44 HD13 LEU 44 -7.830 -5.619 3.136 347 HD21 LEU 44 HD21 LEU 44 -4.352 -4.820 4.335 348 HD22 LEU 44 HD22 LEU 44 -5.558 -3.610 3.887 349 HD23 LEU 44 HD23 LEU 44 -5.343 -5.054 2.897 350 H TYR 45 HN TYR 45 -8.331 -1.812 6.712 351 HA TYR 45 HA TYR 45 -8.975 -2.332 9.532 352 HB2 TYR 45 HB2 TYR 45 -10.135 -0.365 7.511 353 HB3 TYR 45 HB1 TYR 45 -10.643 -0.487 9.195 354 HD1 TYR 45 HD1 TYR 45 -8.858 -0.087 11.024 355 HD2 TYR 45 HD2 TYR 45 -8.255 1.042 6.935 356 HE1 TYR 45 HE1 TYR 45 -7.096 1.466 11.710 357 HE2 TYR 45 HE2 TYR 45 -6.485 2.609 7.635 358 HH TYR 45 HH TYR 45 -5.846 3.846 9.666 359 H THR 46 HN THR 46 -10.906 -3.328 10.146 360 HA THR 46 HA THR 46 -11.662 -5.505 8.498 361 HB THR 46 HB THR 46 -11.508 -5.665 10.984 362 HG1 THR 46 HG1 THR 46 -13.176 -6.878 9.449 363 HG21 THR 46 HG21 THR 46 -13.344 -4.841 12.411 364 HG22 THR 46 HG22 THR 46 -14.105 -4.081 11.013 365 HG23 THR 46 HG23 THR 46 -12.545 -3.495 11.593 366 H ASP 47 HN ASP 47 -12.986 -2.325 8.806 367 HA ASP 47 HA ASP 47 -15.685 -2.969 7.988 368 HB2 ASP 47 HB2 ASP 47 -16.142 -0.636 8.108 369 HB3 ASP 47 HB1 ASP 47 -15.009 -0.948 9.415 370 H GLY 48 HN GLY 48 -12.803 -2.936 6.316 371 HA2 GLY 48 HA2 GLY 48 -12.875 -3.837 4.070 372 HA3 GLY 48 HA1 GLY 48 -14.210 -2.752 3.712 373 H ARG 49 HN ARG 49 -12.468 -0.720 5.407 374 HA ARG 49 HA ARG 49 -11.336 0.571 3.083 375 HB2 ARG 49 HB2 ARG 49 -11.771 1.350 5.949 376 HB3 ARG 49 HB1 ARG 49 -10.543 2.236 5.060 377 HG2 ARG 49 HG2 ARG 49 -12.718 3.386 5.045 378 HG3 ARG 49 HG1 ARG 49 -12.181 2.972 3.417 379 HD2 ARG 49 HD2 ARG 49 -13.699 1.023 3.421 380 HD3 ARG 49 HD1 ARG 49 -14.248 1.454 5.044 381 HE ARG 49 HE ARG 49 -14.595 3.248 2.711 382 HH11 ARG 49 HH11 ARG 49 -15.952 1.643 5.539 383 HH12 ARG 49 HH12 ARG 49 -17.495 2.416 5.371 384 HH21 ARG 49 HH21 ARG 49 -17.875 3.888 3.643 385 HH22 ARG 49 HH22 ARG 49 -16.612 4.227 2.502 386 H VAL 50 HN VAL 50 -9.242 0.894 2.577 387 HA VAL 50 HA VAL 50 -7.121 -0.212 4.313 388 HB VAL 50 HB VAL 50 -5.870 -0.985 2.348 389 HG11 VAL 50 HG11 VAL 50 -7.376 -2.607 3.392 390 HG12 VAL 50 HG12 VAL 50 -7.270 -2.901 1.655 391 HG13 VAL 50 HG13 VAL 50 -8.694 -2.105 2.330 392 HG21 VAL 50 HG21 VAL 50 -6.621 0.647 0.662 393 HG22 VAL 50 HG22 VAL 50 -8.234 -0.068 0.651 394 HG23 VAL 50 HG23 VAL 50 -6.854 -0.996 0.060 395 H GLU 51 HN GLU 51 -5.114 0.794 4.113 396 HA GLU 51 HA GLU 51 -4.732 3.064 2.369 397 HB2 GLU 51 HB2 GLU 51 -4.365 4.734 4.070 398 HB3 GLU 51 HB1 GLU 51 -5.935 4.026 4.361 399 HG2 GLU 51 HG2 GLU 51 -5.088 4.248 6.507 400 HG3 GLU 51 HG1 GLU 51 -4.719 2.565 6.142 401 H CYS 52 HN CYS 52 -2.531 3.426 2.006 402 HA CYS 52 HA CYS 52 -0.671 1.482 3.202 403 HB2 CYS 52 HB2 CYS 52 -0.791 1.531 0.739 404 HB3 CYS 52 HB1 CYS 52 -0.320 3.231 0.739 405 HG CYS 52 HG CYS 52 1.640 0.790 2.094 406 H ARG 53 HN ARG 53 0.107 2.323 5.079 407 HA ARG 53 HA ARG 53 0.431 5.117 5.583 408 HB2 ARG 53 HB2 ARG 53 0.042 3.133 7.240 409 HB3 ARG 53 HB1 ARG 53 1.791 2.956 7.224 410 HG2 ARG 53 HG2 ARG 53 2.144 4.977 8.359 411 HG3 ARG 53 HG1 ARG 53 0.615 5.673 7.813 412 HD2 ARG 53 HD2 ARG 53 1.009 3.546 9.944 413 HD3 ARG 53 HD1 ARG 53 0.393 5.192 10.169 414 HE ARG 53 HE ARG 53 -1.165 3.668 8.310 415 HH11 ARG 53 HH11 ARG 53 -0.838 4.259 11.761 416 HH12 ARG 53 HH12 ARG 53 -2.462 3.767 12.092 417 HH21 ARG 53 HH21 ARG 53 -3.183 2.968 8.750 418 HH22 ARG 53 HH22 ARG 53 -3.812 3.022 10.363 419 H GLU 54 HN GLU 54 2.470 2.695 4.260 420 HA GLU 54 HA GLU 54 4.993 3.982 4.287 421 HB2 GLU 54 HB2 GLU 54 4.599 1.582 3.826 422 HB3 GLU 54 HB1 GLU 54 3.816 2.009 2.309 423 HG2 GLU 54 HG2 GLU 54 6.060 1.279 1.876 424 HG3 GLU 54 HG1 GLU 54 5.934 2.993 1.500 425 H LEU 55 HN LEU 55 2.137 4.334 2.256 426 HA LEU 55 HA LEU 55 3.561 5.913 0.232 427 HB2 LEU 55 HB2 LEU 55 2.217 3.891 -0.468 428 HB3 LEU 55 HB1 LEU 55 0.776 4.700 0.097 429 HG LEU 55 HG LEU 55 1.219 4.688 -2.448 430 HD11 LEU 55 HD11 LEU 55 0.718 7.402 -1.182 431 HD12 LEU 55 HD12 LEU 55 -0.494 6.148 -1.454 432 HD13 LEU 55 HD13 LEU 55 0.296 6.917 -2.827 433 HD21 LEU 55 HD21 LEU 55 2.722 6.425 -3.348 434 HD22 LEU 55 HD22 LEU 55 3.609 5.227 -2.405 435 HD23 LEU 55 HD23 LEU 55 3.260 6.813 -1.712 436 H ARG 56 HN ARG 56 3.677 7.856 1.215 437 HA ARG 56 HA ARG 56 1.272 9.335 1.980 438 HB2 ARG 56 HB2 ARG 56 4.196 10.188 1.749 439 HB3 ARG 56 HB1 ARG 56 2.899 11.275 2.220 440 HG2 ARG 56 HG2 ARG 56 4.127 10.553 4.187 441 HG3 ARG 56 HG1 ARG 56 2.487 9.909 4.254 442 HD2 ARG 56 HD2 ARG 56 3.231 7.708 3.709 443 HD3 ARG 56 HD1 ARG 56 4.823 8.273 3.218 444 HE ARG 56 HE ARG 56 3.828 7.946 5.958 445 HH11 ARG 56 HH11 ARG 56 7.712 8.537 5.092 446 HH12 ARG 56 HH12 ARG 56 6.519 8.724 3.845 447 HH21 ARG 56 HH21 ARG 56 5.426 7.661 7.583 448 HH22 ARG 56 HH22 ARG 56 7.094 7.935 7.197 449 HA PRO 57 HA PRO 57 0.443 10.754 -2.232 450 HB2 PRO 57 HB2 PRO 57 -0.743 13.206 -1.755 451 HB3 PRO 57 HB1 PRO 57 -1.560 11.660 -1.438 452 HG2 PRO 57 HG2 PRO 57 -0.090 13.438 0.498 453 HG3 PRO 57 HG1 PRO 57 -1.692 12.676 0.668 454 HD2 PRO 57 HD2 PRO 57 0.466 11.581 1.822 455 HD3 PRO 57 HD1 PRO 57 -0.789 10.554 1.094 456 H ASP 58 HN ASP 58 2.681 12.272 -0.197 457 HA ASP 58 HA ASP 58 3.558 14.460 -1.825 458 HB2 ASP 58 HB2 ASP 58 5.087 13.003 0.382 459 HB3 ASP 58 HB1 ASP 58 5.398 14.633 -0.207 460 H VAL 59 HN VAL 59 3.986 11.093 -2.005 461 HA VAL 59 HA VAL 59 6.510 10.622 -3.061 462 HB VAL 59 HB VAL 59 4.843 8.905 -2.357 463 HG11 VAL 59 HG11 VAL 59 3.073 8.159 -3.895 464 HG12 VAL 59 HG12 VAL 59 3.476 9.470 -5.004 465 HG13 VAL 59 HG13 VAL 59 2.845 9.836 -3.398 466 HG21 VAL 59 HG21 VAL 59 5.408 7.186 -4.053 467 HG22 VAL 59 HG22 VAL 59 6.806 8.178 -3.635 468 HG23 VAL 59 HG23 VAL 59 5.954 8.455 -5.154 469 H PHE 60 HN PHE 60 3.813 12.168 -4.553 470 HA PHE 60 HA PHE 60 4.383 11.848 -7.297 471 HB2 PHE 60 HB2 PHE 60 2.805 13.910 -5.720 472 HB3 PHE 60 HB1 PHE 60 2.932 13.979 -7.475 473 HD1 PHE 60 HD1 PHE 60 1.138 13.077 -8.651 474 HD2 PHE 60 HD2 PHE 60 2.109 11.376 -4.842 475 HE1 PHE 60 HE1 PHE 60 -0.759 11.541 -8.838 476 HE2 PHE 60 HE2 PHE 60 0.197 9.862 -5.046 477 HZ PHE 60 HZ PHE 60 -1.235 9.939 -7.042 478 H GLY 61 HN GLY 61 6.208 12.504 -8.244 479 HA2 GLY 61 HA2 GLY 61 7.826 13.916 -9.077 480 HA3 GLY 61 HA1 GLY 61 7.165 15.226 -8.109 481 H ALA 62 HN ALA 62 7.753 12.480 -6.215 482 HA ALA 62 HA ALA 62 10.273 13.595 -5.127 483 HB1 ALA 62 HB1 ALA 62 8.090 12.006 -3.718 484 HB2 ALA 62 HB2 ALA 62 8.326 13.745 -3.602 485 HB3 ALA 62 HB3 ALA 62 9.548 12.649 -2.946 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -4.850 -4.023 13.017 2 H2 MET 1 HT2 MET 1 -6.336 -4.823 12.995 3 H3 MET 1 HT3 MET 1 -6.279 -3.143 12.809 4 HA MET 1 HA MET 1 -6.692 -4.229 10.722 5 HB2 MET 1 HB2 MET 1 -4.945 -3.106 9.406 6 HB3 MET 1 HB1 MET 1 -5.461 -2.088 10.745 7 HG2 MET 1 HG2 MET 1 -2.915 -3.737 10.664 8 HG3 MET 1 HG1 MET 1 -3.031 -1.998 10.412 9 HE1 MET 1 HE1 MET 1 -0.987 -3.214 12.476 10 HE2 MET 1 HE2 MET 1 -1.238 -2.190 13.890 11 HE3 MET 1 HE3 MET 1 -1.208 -1.468 12.282 12 H LYS 2 HN LYS 2 -5.660 -5.403 8.891 13 HA LYS 2 HA LYS 2 -4.230 -7.817 9.808 14 HB2 LYS 2 HB2 LYS 2 -6.082 -7.440 7.411 15 HB3 LYS 2 HB1 LYS 2 -5.273 -8.948 7.841 16 HG2 LYS 2 HG2 LYS 2 -7.383 -7.508 9.497 17 HG3 LYS 2 HG1 LYS 2 -7.635 -8.966 8.525 18 HD2 LYS 2 HD2 LYS 2 -6.124 -10.245 9.979 19 HD3 LYS 2 HD1 LYS 2 -5.719 -8.791 10.897 20 HE2 LYS 2 HE2 LYS 2 -8.067 -8.630 11.654 21 HE3 LYS 2 HE1 LYS 2 -8.455 -10.097 10.754 22 HZ1 LYS 2 HZ1 LYS 2 -6.552 -9.887 13.019 23 HZ2 LYS 2 HZ2 LYS 2 -6.876 -11.295 12.147 24 HZ3 LYS 2 HZ3 LYS 2 -8.095 -10.578 13.070 25 H LYS 3 HN LYS 3 -2.168 -7.829 9.256 26 HA LYS 3 HA LYS 3 -1.056 -5.999 7.310 27 HB2 LYS 3 HB2 LYS 3 0.247 -8.062 9.139 28 HB3 LYS 3 HB1 LYS 3 1.127 -6.893 8.149 29 HG2 LYS 3 HG2 LYS 3 0.136 -5.038 9.406 30 HG3 LYS 3 HG1 LYS 3 -0.818 -6.174 10.375 31 HD2 LYS 3 HD2 LYS 3 1.248 -7.135 11.313 32 HD3 LYS 3 HD1 LYS 3 2.233 -6.081 10.292 33 HE2 LYS 3 HE2 LYS 3 1.313 -4.111 11.474 34 HE3 LYS 3 HE1 LYS 3 0.348 -5.180 12.494 35 HZ1 LYS 3 HZ1 LYS 3 3.310 -5.135 12.355 36 HZ2 LYS 3 HZ2 LYS 3 2.384 -6.152 13.332 37 HZ3 LYS 3 HZ3 LYS 3 2.367 -4.485 13.598 38 H ILE 4 HN ILE 4 -1.326 -6.586 5.223 39 HA ILE 4 HA ILE 4 -0.829 -9.382 4.355 40 HB ILE 4 HB ILE 4 -2.108 -7.149 2.726 41 HG12 ILE 4 HG12 ILE 4 -3.454 -9.305 4.404 42 HG13 ILE 4 HG11 ILE 4 -3.620 -7.555 4.573 43 HG21 ILE 4 HG21 ILE 4 -2.126 -10.138 2.199 44 HG22 ILE 4 HG22 ILE 4 -1.125 -8.958 1.356 45 HG23 ILE 4 HG23 ILE 4 -2.880 -8.892 1.189 46 HD11 ILE 4 HD11 ILE 4 -4.733 -7.487 2.379 47 HD12 ILE 4 HD12 ILE 4 -5.578 -8.492 3.552 48 HD13 ILE 4 HD13 ILE 4 -4.611 -9.247 2.288 49 HA PRO 5 HA PRO 5 2.982 -7.849 2.298 50 HB2 PRO 5 HB2 PRO 5 2.725 -10.328 0.628 51 HB3 PRO 5 HB1 PRO 5 4.052 -9.841 1.706 52 HG2 PRO 5 HG2 PRO 5 2.435 -11.857 2.397 53 HG3 PRO 5 HG1 PRO 5 3.018 -10.698 3.614 54 HD2 PRO 5 HD2 PRO 5 0.336 -10.727 2.206 55 HD3 PRO 5 HD1 PRO 5 0.663 -10.553 3.942 56 H LEU 6 HN LEU 6 3.323 -6.719 0.379 57 HA LEU 6 HA LEU 6 1.183 -5.596 -0.963 58 HB2 LEU 6 HB2 LEU 6 3.442 -4.606 -0.878 59 HB3 LEU 6 HB1 LEU 6 4.053 -5.863 -1.941 60 HG LEU 6 HG LEU 6 2.525 -4.984 -3.770 61 HD11 LEU 6 HD11 LEU 6 0.847 -3.879 -2.375 62 HD12 LEU 6 HD12 LEU 6 1.530 -2.760 -3.550 63 HD13 LEU 6 HD13 LEU 6 2.039 -2.682 -1.860 64 HD21 LEU 6 HD21 LEU 6 3.916 -3.066 -4.344 65 HD22 LEU 6 HD22 LEU 6 4.904 -4.361 -3.670 66 HD23 LEU 6 HD23 LEU 6 4.496 -2.959 -2.681 67 H SER 7 HN SER 7 3.437 -8.054 -2.227 68 HA SER 7 HA SER 7 2.355 -8.467 -4.746 69 HB2 SER 7 HB2 SER 7 3.733 -10.571 -3.021 70 HB3 SER 7 HB1 SER 7 3.713 -10.475 -4.788 71 HG SER 7 HG SER 7 4.847 -8.458 -4.558 72 H LYS 8 HN LYS 8 1.686 -10.187 -1.696 73 HA LYS 8 HA LYS 8 -0.071 -12.171 -2.652 74 HB2 LYS 8 HB2 LYS 8 1.074 -12.328 -0.476 75 HB3 LYS 8 HB1 LYS 8 0.202 -10.924 0.116 76 HG2 LYS 8 HG2 LYS 8 -0.739 -12.963 1.071 77 HG3 LYS 8 HG1 LYS 8 -1.925 -12.188 0.020 78 HD2 LYS 8 HD2 LYS 8 -1.995 -14.579 -0.377 79 HD3 LYS 8 HD1 LYS 8 -1.308 -13.802 -1.805 80 HE2 LYS 8 HE2 LYS 8 0.976 -14.412 -0.961 81 HE3 LYS 8 HE1 LYS 8 0.209 -15.276 0.373 82 HZ1 LYS 8 HZ1 LYS 8 -0.910 -16.676 -1.259 83 HZ2 LYS 8 HZ2 LYS 8 0.772 -16.780 -1.383 84 HZ3 LYS 8 HZ3 LYS 8 -0.103 -15.876 -2.510 85 H TYR 9 HN TYR 9 -0.638 -8.895 -1.415 86 HA TYR 9 HA TYR 9 -3.470 -8.969 -1.334 87 HB2 TYR 9 HB2 TYR 9 -2.191 -7.252 -0.092 88 HB3 TYR 9 HB1 TYR 9 -1.576 -6.579 -1.594 89 HD1 TYR 9 HD1 TYR 9 -4.617 -6.971 0.521 90 HD2 TYR 9 HD2 TYR 9 -2.952 -5.088 -2.960 91 HE1 TYR 9 HE1 TYR 9 -6.593 -5.578 0.320 92 HE2 TYR 9 HE2 TYR 9 -4.950 -3.687 -3.147 93 HH TYR 9 HH TYR 9 -7.322 -3.790 -2.469 94 H LEU 10 HN LEU 10 -1.126 -7.877 -3.780 95 HA LEU 10 HA LEU 10 -2.922 -6.698 -5.591 96 HB2 LEU 10 HB2 LEU 10 -0.140 -7.815 -6.054 97 HB3 LEU 10 HB1 LEU 10 -1.013 -6.829 -7.222 98 HG LEU 10 HG LEU 10 -0.038 -5.942 -4.479 99 HD11 LEU 10 HD11 LEU 10 1.764 -6.135 -6.080 100 HD12 LEU 10 HD12 LEU 10 1.451 -4.441 -5.703 101 HD13 LEU 10 HD13 LEU 10 0.889 -5.122 -7.234 102 HD21 LEU 10 HD21 LEU 10 -2.153 -4.831 -4.931 103 HD22 LEU 10 HD22 LEU 10 -1.581 -4.320 -6.522 104 HD23 LEU 10 HD23 LEU 10 -0.823 -3.683 -5.060 105 H GLU 11 HN GLU 11 -1.870 -10.004 -5.211 106 HA GLU 11 HA GLU 11 -2.902 -10.937 -7.737 107 HB2 GLU 11 HB2 GLU 11 -2.033 -12.518 -5.287 108 HB3 GLU 11 HB1 GLU 11 -2.360 -13.191 -6.883 109 HG2 GLU 11 HG2 GLU 11 -0.101 -11.301 -6.137 110 HG3 GLU 11 HG1 GLU 11 0.046 -13.013 -6.508 111 H GLU 12 HN GLU 12 -3.986 -11.074 -4.303 112 HA GLU 12 HA GLU 12 -6.312 -12.689 -5.132 113 HB2 GLU 12 HB2 GLU 12 -5.221 -12.200 -2.344 114 HB3 GLU 12 HB1 GLU 12 -6.572 -13.261 -2.746 115 HG2 GLU 12 HG2 GLU 12 -4.943 -14.610 -4.149 116 HG3 GLU 12 HG1 GLU 12 -3.646 -13.633 -3.452 117 H HIS 13 HN HIS 13 -5.633 -9.833 -3.031 118 HA HIS 13 HA HIS 13 -8.483 -9.712 -2.310 119 HB2 HIS 13 HB2 HIS 13 -6.123 -8.149 -1.192 120 HB3 HIS 13 HB1 HIS 13 -7.752 -8.156 -0.530 121 HD1 HIS 13 HD1 HIS 13 -8.260 -9.906 1.178 122 HD2 HIS 13 HD2 HIS 13 -4.766 -10.725 -0.916 123 HE1 HIS 13 HE1 HIS 13 -7.210 -11.858 2.346 124 HE2 HIS 13 HE2 HIS 13 -5.242 -12.474 0.900 125 H GLY 14 HN GLY 14 -6.287 -8.054 -4.368 126 HA2 GLY 14 HA2 GLY 14 -8.113 -6.526 -5.728 127 HA3 GLY 14 HA1 GLY 14 -7.579 -5.483 -4.411 128 H THR 15 HN THR 15 -7.128 -5.107 -7.254 129 HA THR 15 HA THR 15 -4.375 -5.896 -7.830 130 HB THR 15 HB THR 15 -4.814 -4.773 -10.031 131 HG1 THR 15 HG1 THR 15 -7.535 -4.498 -9.330 132 HG21 THR 15 HG21 THR 15 -6.971 -6.745 -9.197 133 HG22 THR 15 HG22 THR 15 -5.358 -7.160 -9.785 134 HG23 THR 15 HG23 THR 15 -6.507 -6.359 -10.857 135 H GLN 16 HN GLN 16 -3.272 -3.919 -9.181 136 HA GLN 16 HA GLN 16 -2.335 -2.119 -7.178 137 HB2 GLN 16 HB2 GLN 16 -1.835 -1.980 -10.189 138 HB3 GLN 16 HB1 GLN 16 -0.921 -1.131 -8.951 139 HG2 GLN 16 HG2 GLN 16 0.463 -2.936 -9.576 140 HG3 GLN 16 HG1 GLN 16 -0.242 -3.423 -8.044 141 HE21 GLN 16 HE21 GLN 16 -1.765 -5.132 -8.031 142 HE22 GLN 16 HE22 GLN 16 -1.939 -6.209 -9.367 143 H SER 17 HN SER 17 -4.588 -1.937 -9.842 144 HA SER 17 HA SER 17 -5.136 0.848 -9.831 145 HB2 SER 17 HB2 SER 17 -6.898 -1.457 -10.756 146 HB3 SER 17 HB1 SER 17 -7.065 0.238 -11.217 147 HG SER 17 HG SER 17 -4.573 -0.829 -11.676 148 H ALA 18 HN ALA 18 -6.719 -1.977 -8.318 149 HA ALA 18 HA ALA 18 -8.852 -0.653 -7.009 150 HB1 ALA 18 HB1 ALA 18 -8.774 -3.112 -7.379 151 HB2 ALA 18 HB2 ALA 18 -9.075 -2.703 -5.688 152 HB3 ALA 18 HB3 ALA 18 -7.466 -3.233 -6.192 153 H LEU 19 HN LEU 19 -5.547 -1.369 -6.103 154 HA LEU 19 HA LEU 19 -5.783 -0.807 -3.324 155 HB2 LEU 19 HB2 LEU 19 -4.041 -2.302 -4.147 156 HB3 LEU 19 HB1 LEU 19 -3.357 -1.032 -5.146 157 HG LEU 19 HG LEU 19 -2.639 0.200 -3.106 158 HD11 LEU 19 HD11 LEU 19 -4.366 -0.524 -1.536 159 HD12 LEU 19 HD12 LEU 19 -2.755 -0.811 -0.884 160 HD13 LEU 19 HD13 LEU 19 -3.698 -2.159 -1.526 161 HD21 LEU 19 HD21 LEU 19 -1.088 -1.365 -4.172 162 HD22 LEU 19 HD22 LEU 19 -1.681 -2.674 -3.144 163 HD23 LEU 19 HD23 LEU 19 -0.835 -1.298 -2.429 164 H ALA 20 HN ALA 20 -4.241 0.913 -6.050 165 HA ALA 20 HA ALA 20 -3.600 3.343 -4.809 166 HB1 ALA 20 HB1 ALA 20 -3.438 4.236 -7.093 167 HB2 ALA 20 HB2 ALA 20 -4.326 2.842 -7.722 168 HB3 ALA 20 HB3 ALA 20 -2.731 2.619 -7.004 169 H ALA 21 HN ALA 21 -6.655 2.285 -6.323 170 HA ALA 21 HA ALA 21 -8.041 4.740 -6.284 171 HB1 ALA 21 HB1 ALA 21 -10.094 3.405 -6.474 172 HB2 ALA 21 HB2 ALA 21 -9.203 1.945 -6.028 173 HB3 ALA 21 HB3 ALA 21 -8.835 2.773 -7.541 174 H ALA 22 HN ALA 22 -7.782 2.153 -3.864 175 HA ALA 22 HA ALA 22 -9.517 3.295 -1.914 176 HB1 ALA 22 HB1 ALA 22 -8.606 1.587 -0.403 177 HB2 ALA 22 HB2 ALA 22 -7.308 1.242 -1.550 178 HB3 ALA 22 HB3 ALA 22 -8.984 0.887 -1.981 179 H LEU 23 HN LEU 23 -6.003 3.403 -2.421 180 HA LEU 23 HA LEU 23 -5.360 4.835 -0.029 181 HB2 LEU 23 HB2 LEU 23 -3.725 4.536 -2.584 182 HB3 LEU 23 HB1 LEU 23 -3.108 5.083 -1.031 183 HG LEU 23 HG LEU 23 -4.103 2.281 -1.697 184 HD11 LEU 23 HD11 LEU 23 -1.902 2.740 -2.631 185 HD12 LEU 23 HD12 LEU 23 -1.802 1.560 -1.328 186 HD13 LEU 23 HD13 LEU 23 -1.306 3.230 -1.043 187 HD21 LEU 23 HD21 LEU 23 -3.374 1.643 0.582 188 HD22 LEU 23 HD22 LEU 23 -4.735 2.761 0.580 189 HD23 LEU 23 HD23 LEU 23 -3.112 3.351 0.960 190 H GLY 24 HN GLY 24 -6.511 5.759 -3.164 191 HA2 GLY 24 HA2 GLY 24 -7.145 7.785 -4.042 192 HA3 GLY 24 HA1 GLY 24 -6.691 8.568 -2.532 193 H VAL 25 HN VAL 25 -4.756 6.585 -4.700 194 HA VAL 25 HA VAL 25 -2.986 8.808 -5.467 195 HB VAL 25 HB VAL 25 -0.979 7.488 -5.052 196 HG11 VAL 25 HG11 VAL 25 -2.721 7.336 -2.579 197 HG12 VAL 25 HG12 VAL 25 -1.892 8.792 -3.152 198 HG13 VAL 25 HG13 VAL 25 -0.956 7.390 -2.633 199 HG21 VAL 25 HG21 VAL 25 -1.017 5.247 -3.969 200 HG22 VAL 25 HG22 VAL 25 -1.799 5.228 -5.550 201 HG23 VAL 25 HG23 VAL 25 -2.781 5.229 -4.084 202 H ASN 26 HN ASN 26 -1.394 7.966 -7.232 203 HA ASN 26 HA ASN 26 -2.861 6.448 -9.273 204 HB2 ASN 26 HB2 ASN 26 -0.201 7.935 -9.421 205 HB3 ASN 26 HB1 ASN 26 -0.990 7.161 -10.785 206 HD21 ASN 26 HD21 ASN 26 -2.835 8.137 -11.699 207 HD22 ASN 26 HD22 ASN 26 -3.295 9.759 -11.317 208 H GLN 27 HN GLN 27 -1.729 4.766 -10.504 209 HA GLN 27 HA GLN 27 -0.435 2.775 -8.912 210 HB2 GLN 27 HB2 GLN 27 -0.834 2.972 -11.930 211 HB3 GLN 27 HB1 GLN 27 -0.160 1.557 -11.116 212 HG2 GLN 27 HG2 GLN 27 -2.268 1.261 -9.869 213 HG3 GLN 27 HG1 GLN 27 -2.952 2.676 -10.667 214 HE21 GLN 27 HE21 GLN 27 -3.570 2.513 -12.845 215 HE22 GLN 27 HE22 GLN 27 -3.713 0.994 -13.655 216 H SER 28 HN SER 28 0.715 5.484 -10.711 217 HA SER 28 HA SER 28 3.383 4.981 -11.225 218 HB2 SER 28 HB2 SER 28 2.219 7.549 -10.033 219 HB3 SER 28 HB1 SER 28 3.709 7.410 -10.971 220 HG SER 28 HG SER 28 2.523 6.953 -12.771 221 H ALA 29 HN ALA 29 1.816 5.817 -8.133 222 HA ALA 29 HA ALA 29 4.097 5.830 -6.445 223 HB1 ALA 29 HB1 ALA 29 1.913 6.744 -5.760 224 HB2 ALA 29 HB2 ALA 29 2.481 5.529 -4.617 225 HB3 ALA 29 HB3 ALA 29 1.214 5.121 -5.780 226 H ILE 30 HN ILE 30 1.671 3.241 -7.016 227 HA ILE 30 HA ILE 30 2.745 1.339 -5.268 228 HB ILE 30 HB ILE 30 1.183 0.739 -7.836 229 HG12 ILE 30 HG12 ILE 30 -0.057 2.440 -6.575 230 HG13 ILE 30 HG11 ILE 30 -0.898 0.902 -6.435 231 HG21 ILE 30 HG21 ILE 30 2.099 -1.295 -6.812 232 HG22 ILE 30 HG22 ILE 30 0.342 -1.263 -6.634 233 HG23 ILE 30 HG23 ILE 30 1.376 -0.863 -5.260 234 HD11 ILE 30 HD11 ILE 30 -0.935 2.060 -4.344 235 HD12 ILE 30 HD12 ILE 30 0.819 2.225 -4.340 236 HD13 ILE 30 HD13 ILE 30 0.080 0.628 -4.175 237 H SER 31 HN SER 31 3.387 1.838 -8.733 238 HA SER 31 HA SER 31 5.074 -0.393 -9.213 239 HB2 SER 31 HB2 SER 31 5.017 2.299 -10.654 240 HB3 SER 31 HB1 SER 31 5.735 0.807 -11.270 241 HG SER 31 HG SER 31 3.046 0.838 -10.487 242 H GLN 32 HN GLN 32 5.796 3.001 -8.257 243 HA GLN 32 HA GLN 32 8.634 2.814 -8.365 244 HB2 GLN 32 HB2 GLN 32 7.368 4.967 -8.354 245 HB3 GLN 32 HB1 GLN 32 6.913 4.675 -6.678 246 HG2 GLN 32 HG2 GLN 32 9.424 4.659 -6.146 247 HG3 GLN 32 HG1 GLN 32 9.681 5.262 -7.777 248 HE21 GLN 32 HE21 GLN 32 8.911 7.383 -8.296 249 HE22 GLN 32 HE22 GLN 32 8.602 8.535 -7.051 250 H MET 33 HN MET 33 6.271 2.205 -5.845 251 HA MET 33 HA MET 33 7.963 1.805 -3.600 252 HB2 MET 33 HB2 MET 33 5.258 0.529 -4.133 253 HB3 MET 33 HB1 MET 33 6.012 0.798 -2.567 254 HG2 MET 33 HG2 MET 33 5.782 3.257 -2.885 255 HG3 MET 33 HG1 MET 33 5.094 2.961 -4.459 256 HE1 MET 33 HE1 MET 33 3.002 1.564 -0.641 257 HE2 MET 33 HE2 MET 33 4.722 1.965 -0.761 258 HE3 MET 33 HE3 MET 33 4.088 0.511 -1.548 259 H VAL 34 HN VAL 34 6.818 -0.258 -6.188 260 HA VAL 34 HA VAL 34 8.008 -2.724 -5.348 261 HB VAL 34 HB VAL 34 6.826 -1.739 -7.980 262 HG11 VAL 34 HG11 VAL 34 7.806 -4.563 -7.458 263 HG12 VAL 34 HG12 VAL 34 8.525 -3.406 -8.579 264 HG13 VAL 34 HG13 VAL 34 6.899 -4.014 -8.875 265 HG21 VAL 34 HG21 VAL 34 5.797 -3.782 -5.977 266 HG22 VAL 34 HG22 VAL 34 4.975 -3.287 -7.461 267 HG23 VAL 34 HG23 VAL 34 5.214 -2.124 -6.155 268 H ARG 35 HN ARG 35 9.029 -0.017 -7.454 269 HA ARG 35 HA ARG 35 11.360 -1.307 -8.544 270 HB2 ARG 35 HB2 ARG 35 10.673 1.661 -8.470 271 HB3 ARG 35 HB1 ARG 35 11.982 0.947 -9.408 272 HG2 ARG 35 HG2 ARG 35 9.003 0.606 -9.840 273 HG3 ARG 35 HG1 ARG 35 10.155 1.429 -10.888 274 HD2 ARG 35 HD2 ARG 35 11.259 -0.762 -11.331 275 HD3 ARG 35 HD1 ARG 35 10.034 -1.559 -10.331 276 HE ARG 35 HE ARG 35 9.276 0.021 -12.712 277 HH11 ARG 35 HH11 ARG 35 8.113 -3.785 -12.130 278 HH12 ARG 35 HH12 ARG 35 9.226 -3.064 -11.013 279 HH21 ARG 35 HH21 ARG 35 7.887 -0.969 -14.198 280 HH22 ARG 35 HH22 ARG 35 7.355 -2.598 -13.935 281 H ALA 36 HN ALA 36 10.691 0.324 -5.596 282 HA ALA 36 HA ALA 36 13.285 1.080 -4.757 283 HB1 ALA 36 HB1 ALA 36 11.226 1.835 -3.633 284 HB2 ALA 36 HB2 ALA 36 12.303 1.036 -2.484 285 HB3 ALA 36 HB3 ALA 36 10.891 0.180 -3.111 286 H GLY 37 HN GLY 37 11.808 -2.002 -5.214 287 HA2 GLY 37 HA2 GLY 37 12.630 -4.143 -5.027 288 HA3 GLY 37 HA1 GLY 37 14.115 -3.503 -4.337 289 H ARG 38 HN ARG 38 11.481 -2.245 -2.735 290 HA ARG 38 HA ARG 38 11.965 -3.891 -0.358 291 HB2 ARG 38 HB2 ARG 38 10.509 -1.228 -0.713 292 HB3 ARG 38 HB1 ARG 38 10.832 -2.016 0.830 293 HG2 ARG 38 HG2 ARG 38 12.967 -0.979 -1.080 294 HG3 ARG 38 HG1 ARG 38 12.377 -0.127 0.351 295 HD2 ARG 38 HD2 ARG 38 13.147 -2.139 1.723 296 HD3 ARG 38 HD1 ARG 38 13.951 -2.727 0.263 297 HE ARG 38 HE ARG 38 15.147 -0.477 0.311 298 HH11 ARG 38 HH11 ARG 38 14.126 -2.086 3.267 299 HH12 ARG 38 HH12 ARG 38 15.363 -1.349 4.231 300 HH21 ARG 38 HH21 ARG 38 16.855 0.097 3.287 301 HH22 ARG 38 HH22 ARG 38 16.761 0.471 1.595 302 H CYS 39 HN CYS 39 10.433 -5.292 0.369 303 HA CYS 39 HA CYS 39 7.890 -5.658 -0.944 304 HB2 CYS 39 HB2 CYS 39 9.119 -7.584 0.032 305 HB3 CYS 39 HB1 CYS 39 8.955 -6.882 1.640 306 HG CYS 39 HG CYS 39 6.530 -7.656 2.137 307 H ILE 40 HN ILE 40 6.033 -4.636 -0.425 308 HA ILE 40 HA ILE 40 6.068 -2.717 1.804 309 HB ILE 40 HB ILE 40 4.160 -2.824 -0.582 310 HG12 ILE 40 HG12 ILE 40 6.446 -2.419 -1.414 311 HG13 ILE 40 HG11 ILE 40 5.485 -0.955 -1.559 312 HG21 ILE 40 HG21 ILE 40 3.515 -0.568 0.062 313 HG22 ILE 40 HG22 ILE 40 4.636 -0.611 1.418 314 HG23 ILE 40 HG23 ILE 40 3.241 -1.687 1.394 315 HD11 ILE 40 HD11 ILE 40 6.590 -0.069 0.449 316 HD12 ILE 40 HD12 ILE 40 7.717 -0.446 -0.855 317 HD13 ILE 40 HD13 ILE 40 7.578 -1.532 0.525 318 H ASP 41 HN ASP 41 4.369 -2.640 3.311 319 HA ASP 41 HA ASP 41 2.651 -5.016 3.541 320 HB2 ASP 41 HB2 ASP 41 4.028 -4.351 5.504 321 HB3 ASP 41 HB1 ASP 41 3.219 -2.782 5.539 322 H ILE 42 HN ILE 42 0.421 -4.845 3.660 323 HA ILE 42 HA ILE 42 -0.881 -2.269 3.028 324 HB ILE 42 HB ILE 42 -1.678 -5.015 1.923 325 HG12 ILE 42 HG12 ILE 42 0.323 -4.184 0.740 326 HG13 ILE 42 HG11 ILE 42 -1.073 -4.120 -0.328 327 HG21 ILE 42 HG21 ILE 42 -2.928 -2.286 1.412 328 HG22 ILE 42 HG22 ILE 42 -3.654 -3.614 2.319 329 HG23 ILE 42 HG23 ILE 42 -3.375 -3.784 0.586 330 HD11 ILE 42 HD11 ILE 42 -1.237 -1.692 0.076 331 HD12 ILE 42 HD12 ILE 42 0.313 -2.175 -0.606 332 HD13 ILE 42 HD13 ILE 42 0.195 -1.786 1.108 333 H GLU 43 HN GLU 43 -1.810 -1.785 4.946 334 HA GLU 43 HA GLU 43 -2.802 -3.783 6.783 335 HB2 GLU 43 HB2 GLU 43 -2.792 -0.743 6.841 336 HB3 GLU 43 HB1 GLU 43 -3.451 -1.733 8.145 337 HG2 GLU 43 HG2 GLU 43 -1.306 -2.703 8.611 338 HG3 GLU 43 HG1 GLU 43 -0.585 -1.987 7.172 339 H LEU 44 HN LEU 44 -4.516 -4.801 6.081 340 HA LEU 44 HA LEU 44 -6.780 -3.634 4.720 341 HB2 LEU 44 HB2 LEU 44 -5.968 -5.833 4.055 342 HB3 LEU 44 HB1 LEU 44 -6.106 -6.435 5.697 343 HG LEU 44 HG LEU 44 -8.637 -6.189 5.499 344 HD11 LEU 44 HD11 LEU 44 -8.734 -4.543 3.696 345 HD12 LEU 44 HD12 LEU 44 -9.643 -5.993 3.278 346 HD13 LEU 44 HD13 LEU 44 -8.046 -5.716 2.563 347 HD21 LEU 44 HD21 LEU 44 -7.499 -8.360 5.204 348 HD22 LEU 44 HD22 LEU 44 -7.369 -8.049 3.466 349 HD23 LEU 44 HD23 LEU 44 -8.959 -8.227 4.224 350 H TYR 45 HN TYR 45 -8.515 -2.871 5.749 351 HA TYR 45 HA TYR 45 -9.009 -3.270 8.591 352 HB2 TYR 45 HB2 TYR 45 -10.461 -1.551 6.536 353 HB3 TYR 45 HB1 TYR 45 -10.736 -1.519 8.276 354 HD1 TYR 45 HD1 TYR 45 -8.671 -0.921 9.779 355 HD2 TYR 45 HD2 TYR 45 -8.844 -0.062 5.594 356 HE1 TYR 45 HE1 TYR 45 -6.913 0.774 10.046 357 HE2 TYR 45 HE2 TYR 45 -7.094 1.626 5.865 358 HH TYR 45 HH TYR 45 -6.176 3.067 7.673 359 H THR 46 HN THR 46 -11.151 -3.911 9.358 360 HA THR 46 HA THR 46 -11.974 -6.374 8.211 361 HB THR 46 HB THR 46 -13.270 -4.824 10.502 362 HG1 THR 46 HG1 THR 46 -11.829 -6.252 11.745 363 HG21 THR 46 HG21 THR 46 -14.652 -6.752 9.737 364 HG22 THR 46 HG22 THR 46 -13.965 -7.046 11.335 365 HG23 THR 46 HG23 THR 46 -13.254 -7.818 9.917 366 H ASP 47 HN ASP 47 -13.202 -3.112 7.858 367 HA ASP 47 HA ASP 47 -15.851 -3.875 6.956 368 HB2 ASP 47 HB2 ASP 47 -16.264 -1.558 6.614 369 HB3 ASP 47 HB1 ASP 47 -15.233 -1.622 8.038 370 H GLY 48 HN GLY 48 -12.726 -3.805 5.540 371 HA2 GLY 48 HA2 GLY 48 -12.494 -5.027 3.444 372 HA3 GLY 48 HA1 GLY 48 -13.866 -4.138 2.812 373 H ARG 49 HN ARG 49 -12.480 -1.724 4.349 374 HA ARG 49 HA ARG 49 -11.101 -0.551 2.146 375 HB2 ARG 49 HB2 ARG 49 -11.436 0.166 5.065 376 HB3 ARG 49 HB1 ARG 49 -10.272 1.064 4.097 377 HG2 ARG 49 HG2 ARG 49 -12.046 1.781 2.571 378 HG3 ARG 49 HG1 ARG 49 -13.235 0.840 3.484 379 HD2 ARG 49 HD2 ARG 49 -13.003 2.249 5.411 380 HD3 ARG 49 HD1 ARG 49 -11.556 3.027 4.761 381 HE ARG 49 HE ARG 49 -14.288 3.399 3.655 382 HH11 ARG 49 HH11 ARG 49 -11.494 6.302 3.884 383 HH12 ARG 49 HH12 ARG 49 -11.108 4.705 4.439 384 HH21 ARG 49 HH21 ARG 49 -14.776 5.509 2.942 385 HH22 ARG 49 HH22 ARG 49 -13.576 6.760 3.034 386 H VAL 50 HN VAL 50 -8.829 0.211 2.193 387 HA VAL 50 HA VAL 50 -6.941 -1.257 3.910 388 HB VAL 50 HB VAL 50 -5.345 -1.622 2.012 389 HG11 VAL 50 HG11 VAL 50 -7.987 -3.049 1.631 390 HG12 VAL 50 HG12 VAL 50 -6.722 -3.482 2.783 391 HG13 VAL 50 HG13 VAL 50 -6.412 -3.596 1.054 392 HG21 VAL 50 HG21 VAL 50 -7.669 -0.870 0.191 393 HG22 VAL 50 HG22 VAL 50 -6.118 -1.531 -0.337 394 HG23 VAL 50 HG23 VAL 50 -6.186 0.062 0.418 395 H GLU 51 HN GLU 51 -4.944 -0.217 4.192 396 HA GLU 51 HA GLU 51 -4.379 2.311 2.888 397 HB2 GLU 51 HB2 GLU 51 -5.744 2.942 4.880 398 HB3 GLU 51 HB1 GLU 51 -4.583 2.129 5.924 399 HG2 GLU 51 HG2 GLU 51 -2.829 3.713 5.251 400 HG3 GLU 51 HG1 GLU 51 -3.947 4.502 4.135 401 H CYS 52 HN CYS 52 -2.277 2.367 2.442 402 HA CYS 52 HA CYS 52 -0.447 0.412 3.630 403 HB2 CYS 52 HB2 CYS 52 -0.524 0.432 1.199 404 HB3 CYS 52 HB1 CYS 52 -0.226 2.167 1.155 405 HG CYS 52 HG CYS 52 1.999 -0.154 2.295 406 H ARG 53 HN ARG 53 0.973 1.045 5.118 407 HA ARG 53 HA ARG 53 1.207 3.709 6.108 408 HB2 ARG 53 HB2 ARG 53 1.421 1.566 7.438 409 HB3 ARG 53 HB1 ARG 53 2.992 1.309 6.691 410 HG2 ARG 53 HG2 ARG 53 3.835 3.378 7.752 411 HG3 ARG 53 HG1 ARG 53 2.241 3.662 8.461 412 HD2 ARG 53 HD2 ARG 53 4.079 1.315 9.053 413 HD3 ARG 53 HD1 ARG 53 3.756 2.686 10.118 414 HE ARG 53 HE ARG 53 1.354 1.295 9.400 415 HH11 ARG 53 HH11 ARG 53 3.221 0.142 12.758 416 HH12 ARG 53 HH12 ARG 53 4.084 1.085 11.596 417 HH21 ARG 53 HH21 ARG 53 0.256 0.064 10.953 418 HH22 ARG 53 HH22 ARG 53 1.072 -0.433 12.400 419 H GLU 54 HN GLU 54 3.270 1.571 4.172 420 HA GLU 54 HA GLU 54 5.536 3.296 4.002 421 HB2 GLU 54 HB2 GLU 54 5.464 0.756 3.669 422 HB3 GLU 54 HB1 GLU 54 4.845 1.080 2.057 423 HG2 GLU 54 HG2 GLU 54 7.180 0.735 1.810 424 HG3 GLU 54 HG1 GLU 54 6.930 2.468 1.634 425 H LEU 55 HN LEU 55 2.528 3.193 2.283 426 HA LEU 55 HA LEU 55 3.350 4.814 0.073 427 HB2 LEU 55 HB2 LEU 55 1.312 3.329 0.024 428 HB3 LEU 55 HB1 LEU 55 0.533 4.396 1.168 429 HG LEU 55 HG LEU 55 -0.205 4.666 -1.243 430 HD11 LEU 55 HD11 LEU 55 -0.277 7.095 -1.288 431 HD12 LEU 55 HD12 LEU 55 0.937 7.178 -0.016 432 HD13 LEU 55 HD13 LEU 55 -0.646 6.470 0.313 433 HD21 LEU 55 HD21 LEU 55 1.219 5.852 -2.830 434 HD22 LEU 55 HD22 LEU 55 1.947 4.325 -2.338 435 HD23 LEU 55 HD23 LEU 55 2.552 5.844 -1.669 436 H ARG 56 HN ARG 56 4.527 6.418 1.163 437 HA ARG 56 HA ARG 56 3.103 8.511 2.574 438 HB2 ARG 56 HB2 ARG 56 5.836 8.514 1.208 439 HB3 ARG 56 HB1 ARG 56 5.198 9.847 2.163 440 HG2 ARG 56 HG2 ARG 56 5.822 7.057 3.221 441 HG3 ARG 56 HG1 ARG 56 6.836 8.490 3.434 442 HD2 ARG 56 HD2 ARG 56 4.005 8.147 4.499 443 HD3 ARG 56 HD1 ARG 56 5.483 8.004 5.449 444 HE ARG 56 HE ARG 56 5.889 10.417 4.781 445 HH11 ARG 56 HH11 ARG 56 1.952 10.724 5.558 446 HH12 ARG 56 HH12 ARG 56 2.621 9.174 5.166 447 HH21 ARG 56 HH21 ARG 56 4.977 12.448 5.279 448 HH22 ARG 56 HH22 ARG 56 3.281 12.574 5.625 449 HA PRO 57 HA PRO 57 1.302 10.245 -1.285 450 HB2 PRO 57 HB2 PRO 57 1.256 12.718 0.453 451 HB3 PRO 57 HB1 PRO 57 -0.045 12.003 -0.527 452 HG2 PRO 57 HG2 PRO 57 -0.097 11.709 2.102 453 HG3 PRO 57 HG1 PRO 57 -0.508 10.332 1.051 454 HD2 PRO 57 HD2 PRO 57 2.068 10.861 2.534 455 HD3 PRO 57 HD1 PRO 57 1.175 9.336 2.338 456 H ASP 58 HN ASP 58 4.035 11.447 0.489 457 HA ASP 58 HA ASP 58 5.015 13.538 -1.097 458 HB2 ASP 58 HB2 ASP 58 5.757 13.002 1.222 459 HB3 ASP 58 HB1 ASP 58 6.567 11.558 0.626 460 H VAL 59 HN VAL 59 5.087 10.114 -1.579 461 HA VAL 59 HA VAL 59 7.218 9.513 -3.167 462 HB VAL 59 HB VAL 59 4.362 8.502 -3.078 463 HG11 VAL 59 HG11 VAL 59 6.454 7.398 -5.001 464 HG12 VAL 59 HG12 VAL 59 4.925 8.155 -5.445 465 HG13 VAL 59 HG13 VAL 59 4.927 6.606 -4.604 466 HG21 VAL 59 HG21 VAL 59 5.436 6.450 -2.178 467 HG22 VAL 59 HG22 VAL 59 5.918 7.875 -1.255 468 HG23 VAL 59 HG23 VAL 59 7.031 7.168 -2.429 469 H PHE 60 HN PHE 60 4.340 11.297 -4.206 470 HA PHE 60 HA PHE 60 5.746 12.173 -6.605 471 HB2 PHE 60 HB2 PHE 60 3.895 11.632 -8.144 472 HB3 PHE 60 HB1 PHE 60 4.583 10.185 -7.426 473 HD1 PHE 60 HD1 PHE 60 3.344 9.280 -5.282 474 HD2 PHE 60 HD2 PHE 60 1.553 11.873 -8.163 475 HE1 PHE 60 HE1 PHE 60 1.115 8.522 -4.586 476 HE2 PHE 60 HE2 PHE 60 -0.672 11.113 -7.454 477 HZ PHE 60 HZ PHE 60 -0.891 9.444 -5.671 478 H GLY 61 HN GLY 61 4.482 13.207 -3.968 479 HA2 GLY 61 HA2 GLY 61 3.537 15.159 -3.222 480 HA3 GLY 61 HA1 GLY 61 3.749 15.800 -4.850 481 H ALA 62 HN ALA 62 1.749 13.457 -3.103 482 HA ALA 62 HA ALA 62 -0.460 13.636 -4.942 483 HB1 ALA 62 HB1 ALA 62 -1.448 11.881 -3.557 484 HB2 ALA 62 HB2 ALA 62 -0.216 12.126 -2.316 485 HB3 ALA 62 HB3 ALA 62 0.240 11.498 -3.904 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -6.357 -2.183 13.258 2 H2 MET 1 HT2 MET 1 -5.978 -3.690 13.916 3 H3 MET 1 HT3 MET 1 -7.047 -3.581 12.613 4 HA MET 1 HA MET 1 -5.352 -2.813 11.170 5 HB2 MET 1 HB2 MET 1 -3.945 -1.513 12.557 6 HB3 MET 1 HB1 MET 1 -3.700 -2.813 13.714 7 HG2 MET 1 HG2 MET 1 -1.706 -2.213 12.268 8 HG3 MET 1 HG1 MET 1 -2.151 -3.921 12.281 9 HE1 MET 1 HE1 MET 1 -0.860 -3.465 8.608 10 HE2 MET 1 HE2 MET 1 -0.679 -4.360 10.118 11 HE3 MET 1 HE3 MET 1 -0.206 -2.663 10.035 12 H LYS 2 HN LYS 2 -4.902 -4.402 9.830 13 HA LYS 2 HA LYS 2 -4.243 -7.122 10.784 14 HB2 LYS 2 HB2 LYS 2 -6.170 -6.451 8.503 15 HB3 LYS 2 HB1 LYS 2 -5.725 -8.063 9.059 16 HG2 LYS 2 HG2 LYS 2 -6.823 -7.570 11.254 17 HG3 LYS 2 HG1 LYS 2 -7.316 -5.999 10.614 18 HD2 LYS 2 HD2 LYS 2 -9.171 -7.606 10.480 19 HD3 LYS 2 HD1 LYS 2 -8.662 -7.120 8.863 20 HE2 LYS 2 HE2 LYS 2 -7.559 -9.213 8.484 21 HE3 LYS 2 HE1 LYS 2 -7.685 -9.675 10.184 22 HZ1 LYS 2 HZ1 LYS 2 -10.087 -9.805 9.933 23 HZ2 LYS 2 HZ2 LYS 2 -9.315 -10.821 8.830 24 HZ3 LYS 2 HZ3 LYS 2 -9.972 -9.356 8.303 25 H LYS 3 HN LYS 3 -2.315 -7.638 9.935 26 HA LYS 3 HA LYS 3 -1.159 -5.917 7.904 27 HB2 LYS 3 HB2 LYS 3 0.952 -6.785 8.586 28 HB3 LYS 3 HB1 LYS 3 0.016 -6.525 10.048 29 HG2 LYS 3 HG2 LYS 3 -0.461 -8.969 10.137 30 HG3 LYS 3 HG1 LYS 3 0.562 -9.197 8.717 31 HD2 LYS 3 HD2 LYS 3 1.374 -8.341 11.508 32 HD3 LYS 3 HD1 LYS 3 1.922 -9.742 10.590 33 HE2 LYS 3 HE2 LYS 3 2.653 -6.834 10.136 34 HE3 LYS 3 HE1 LYS 3 3.717 -8.145 10.632 35 HZ1 LYS 3 HZ1 LYS 3 2.453 -7.778 7.967 36 HZ2 LYS 3 HZ2 LYS 3 3.293 -9.170 8.422 37 HZ3 LYS 3 HZ3 LYS 3 4.100 -7.688 8.347 38 H ILE 4 HN ILE 4 -0.831 -6.409 5.842 39 HA ILE 4 HA ILE 4 -1.012 -9.205 4.850 40 HB ILE 4 HB ILE 4 -2.175 -6.754 3.459 41 HG12 ILE 4 HG12 ILE 4 -3.551 -9.070 4.861 42 HG13 ILE 4 HG11 ILE 4 -3.726 -7.350 5.193 43 HG21 ILE 4 HG21 ILE 4 -2.238 -9.624 2.503 44 HG22 ILE 4 HG22 ILE 4 -1.253 -8.330 1.825 45 HG23 ILE 4 HG23 ILE 4 -3.008 -8.248 1.706 46 HD11 ILE 4 HD11 ILE 4 -5.681 -8.170 4.097 47 HD12 ILE 4 HD12 ILE 4 -4.730 -8.832 2.773 48 HD13 ILE 4 HD13 ILE 4 -4.837 -7.081 2.996 49 HA PRO 5 HA PRO 5 2.827 -7.936 2.689 50 HB2 PRO 5 HB2 PRO 5 2.323 -10.274 0.889 51 HB3 PRO 5 HB1 PRO 5 3.686 -9.981 1.989 52 HG2 PRO 5 HG2 PRO 5 1.845 -11.877 2.511 53 HG3 PRO 5 HG1 PRO 5 2.606 -10.935 3.818 54 HD2 PRO 5 HD2 PRO 5 -0.108 -10.517 2.533 55 HD3 PRO 5 HD1 PRO 5 0.320 -10.513 4.256 56 H LEU 6 HN LEU 6 3.121 -6.614 0.902 57 HA LEU 6 HA LEU 6 1.033 -5.347 -0.376 58 HB2 LEU 6 HB2 LEU 6 3.297 -4.412 -0.246 59 HB3 LEU 6 HB1 LEU 6 3.909 -5.667 -1.306 60 HG LEU 6 HG LEU 6 2.566 -4.708 -3.185 61 HD11 LEU 6 HD11 LEU 6 0.742 -3.679 -1.932 62 HD12 LEU 6 HD12 LEU 6 1.536 -2.495 -2.966 63 HD13 LEU 6 HD13 LEU 6 1.860 -2.501 -1.230 64 HD21 LEU 6 HD21 LEU 6 4.911 -4.054 -2.891 65 HD22 LEU 6 HD22 LEU 6 4.423 -2.721 -1.842 66 HD23 LEU 6 HD23 LEU 6 3.959 -2.722 -3.544 67 H SER 7 HN SER 7 3.153 -7.840 -1.693 68 HA SER 7 HA SER 7 2.101 -8.127 -4.243 69 HB2 SER 7 HB2 SER 7 3.214 -10.449 -4.057 70 HB3 SER 7 HB1 SER 7 4.242 -9.049 -3.736 71 HG SER 7 HG SER 7 4.100 -10.995 -2.179 72 H LYS 8 HN LYS 8 1.223 -9.831 -1.232 73 HA LYS 8 HA LYS 8 -0.540 -11.720 -2.411 74 HB2 LYS 8 HB2 LYS 8 0.623 -11.881 -0.119 75 HB3 LYS 8 HB1 LYS 8 -0.617 -10.792 0.496 76 HG2 LYS 8 HG2 LYS 8 -1.199 -13.110 1.002 77 HG3 LYS 8 HG1 LYS 8 -2.365 -12.432 -0.142 78 HD2 LYS 8 HD2 LYS 8 -0.891 -13.496 -1.995 79 HD3 LYS 8 HD1 LYS 8 -0.119 -14.403 -0.695 80 HE2 LYS 8 HE2 LYS 8 -2.218 -15.486 -0.141 81 HE3 LYS 8 HE1 LYS 8 -3.093 -14.446 -1.274 82 HZ1 LYS 8 HZ1 LYS 8 -1.099 -16.536 -1.929 83 HZ2 LYS 8 HZ2 LYS 8 -1.657 -15.409 -3.060 84 HZ3 LYS 8 HZ3 LYS 8 -2.736 -16.501 -2.350 85 H TYR 9 HN TYR 9 -1.034 -8.560 -0.930 86 HA TYR 9 HA TYR 9 -3.860 -8.476 -0.967 87 HB2 TYR 9 HB2 TYR 9 -2.433 -6.861 0.333 88 HB3 TYR 9 HB1 TYR 9 -1.899 -6.130 -1.170 89 HD1 TYR 9 HD1 TYR 9 -4.693 -6.391 1.250 90 HD2 TYR 9 HD2 TYR 9 -3.472 -4.734 -2.529 91 HE1 TYR 9 HE1 TYR 9 -6.650 -4.943 1.243 92 HE2 TYR 9 HE2 TYR 9 -5.463 -3.279 -2.506 93 HH TYR 9 HH TYR 9 -7.697 -3.259 -1.515 94 H LEU 10 HN LEU 10 -1.372 -7.546 -3.309 95 HA LEU 10 HA LEU 10 -3.112 -6.366 -5.224 96 HB2 LEU 10 HB2 LEU 10 -0.249 -7.340 -5.466 97 HB3 LEU 10 HB1 LEU 10 -1.089 -6.439 -6.721 98 HG LEU 10 HG LEU 10 -0.441 -5.395 -3.932 99 HD11 LEU 10 HD11 LEU 10 1.554 -5.580 -5.322 100 HD12 LEU 10 HD12 LEU 10 1.129 -3.894 -5.046 101 HD13 LEU 10 HD13 LEU 10 0.775 -4.647 -6.605 102 HD21 LEU 10 HD21 LEU 10 -1.759 -3.955 -6.249 103 HD22 LEU 10 HD22 LEU 10 -1.253 -3.223 -4.723 104 HD23 LEU 10 HD23 LEU 10 -2.532 -4.433 -4.732 105 H GLU 11 HN GLU 11 -2.436 -9.689 -4.563 106 HA GLU 11 HA GLU 11 -3.234 -10.645 -7.197 107 HB2 GLU 11 HB2 GLU 11 -3.068 -12.196 -4.562 108 HB3 GLU 11 HB1 GLU 11 -3.289 -12.893 -6.165 109 HG2 GLU 11 HG2 GLU 11 -1.035 -11.956 -6.809 110 HG3 GLU 11 HG1 GLU 11 -0.826 -11.477 -5.123 111 H GLU 12 HN GLU 12 -4.777 -10.586 -3.938 112 HA GLU 12 HA GLU 12 -7.208 -11.786 -5.149 113 HB2 GLU 12 HB2 GLU 12 -6.313 -11.794 -2.233 114 HB3 GLU 12 HB1 GLU 12 -7.700 -12.646 -2.906 115 HG2 GLU 12 HG2 GLU 12 -6.092 -13.977 -4.334 116 HG3 GLU 12 HG1 GLU 12 -4.774 -13.208 -3.449 117 H HIS 13 HN HIS 13 -6.156 -9.172 -2.988 118 HA HIS 13 HA HIS 13 -8.922 -8.565 -2.212 119 HB2 HIS 13 HB2 HIS 13 -6.276 -7.361 -1.287 120 HB3 HIS 13 HB1 HIS 13 -7.853 -6.965 -0.619 121 HD1 HIS 13 HD1 HIS 13 -8.812 -8.527 1.124 122 HD2 HIS 13 HD2 HIS 13 -5.260 -9.922 -0.522 123 HE1 HIS 13 HE1 HIS 13 -8.086 -10.413 2.603 124 HE2 HIS 13 HE2 HIS 13 -6.045 -11.364 1.482 125 H GLY 14 HN GLY 14 -6.520 -7.431 -4.430 126 HA2 GLY 14 HA2 GLY 14 -8.254 -5.719 -5.805 127 HA3 GLY 14 HA1 GLY 14 -7.297 -4.722 -4.712 128 H THR 15 HN THR 15 -7.125 -4.317 -7.411 129 HA THR 15 HA THR 15 -4.513 -5.341 -8.291 130 HB THR 15 HB THR 15 -4.929 -3.825 -10.270 131 HG1 THR 15 HG1 THR 15 -7.469 -3.272 -10.086 132 HG21 THR 15 HG21 THR 15 -7.242 -5.698 -9.664 133 HG22 THR 15 HG22 THR 15 -5.697 -6.165 -10.380 134 HG23 THR 15 HG23 THR 15 -6.789 -5.096 -11.260 135 H GLN 16 HN GLN 16 -3.133 -3.340 -9.267 136 HA GLN 16 HA GLN 16 -2.323 -1.703 -7.048 137 HB2 GLN 16 HB2 GLN 16 -1.442 -1.554 -9.971 138 HB3 GLN 16 HB1 GLN 16 -0.734 -0.611 -8.666 139 HG2 GLN 16 HG2 GLN 16 0.764 -2.398 -8.995 140 HG3 GLN 16 HG1 GLN 16 -0.146 -2.839 -7.553 141 HE21 GLN 16 HE21 GLN 16 -1.651 -4.560 -7.702 142 HE22 GLN 16 HE22 GLN 16 -1.589 -5.704 -8.985 143 H SER 17 HN SER 17 -4.273 -1.239 -9.937 144 HA SER 17 HA SER 17 -4.817 1.519 -9.769 145 HB2 SER 17 HB2 SER 17 -6.599 -0.757 -10.742 146 HB3 SER 17 HB1 SER 17 -6.885 0.955 -11.060 147 HG SER 17 HG SER 17 -4.883 0.999 -12.174 148 H ALA 18 HN ALA 18 -6.466 -1.308 -8.386 149 HA ALA 18 HA ALA 18 -8.575 0.004 -7.058 150 HB1 ALA 18 HB1 ALA 18 -7.248 -2.629 -6.319 151 HB2 ALA 18 HB2 ALA 18 -8.537 -2.432 -7.510 152 HB3 ALA 18 HB3 ALA 18 -8.853 -2.087 -5.808 153 H LEU 19 HN LEU 19 -5.315 -0.893 -6.047 154 HA LEU 19 HA LEU 19 -5.678 -0.336 -3.278 155 HB2 LEU 19 HB2 LEU 19 -3.927 -1.896 -4.002 156 HB3 LEU 19 HB1 LEU 19 -3.121 -0.625 -4.910 157 HG LEU 19 HG LEU 19 -2.617 0.565 -2.759 158 HD11 LEU 19 HD11 LEU 19 -4.454 -0.253 -1.369 159 HD12 LEU 19 HD12 LEU 19 -2.897 -0.542 -0.601 160 HD13 LEU 19 HD13 LEU 19 -3.758 -1.877 -1.370 161 HD21 LEU 19 HD21 LEU 19 -0.934 -0.905 -3.750 162 HD22 LEU 19 HD22 LEU 19 -1.582 -2.286 -2.861 163 HD23 LEU 19 HD23 LEU 19 -0.843 -0.939 -1.990 164 H ALA 20 HN ALA 20 -3.953 1.387 -5.888 165 HA ALA 20 HA ALA 20 -3.216 3.721 -4.503 166 HB1 ALA 20 HB1 ALA 20 -2.292 3.068 -6.686 167 HB2 ALA 20 HB2 ALA 20 -2.931 4.712 -6.733 168 HB3 ALA 20 HB3 ALA 20 -3.845 3.386 -7.460 169 H ALA 21 HN ALA 21 -6.193 2.995 -6.355 170 HA ALA 21 HA ALA 21 -7.430 5.527 -6.119 171 HB1 ALA 21 HB1 ALA 21 -9.521 4.354 -6.692 172 HB2 ALA 21 HB2 ALA 21 -8.738 2.798 -6.386 173 HB3 ALA 21 HB3 ALA 21 -8.188 3.819 -7.715 174 H ALA 22 HN ALA 22 -7.416 2.683 -4.017 175 HA ALA 22 HA ALA 22 -9.329 3.572 -2.101 176 HB1 ALA 22 HB1 ALA 22 -8.478 1.748 -0.689 177 HB2 ALA 22 HB2 ALA 22 -7.085 1.552 -1.760 178 HB3 ALA 22 HB3 ALA 22 -8.710 1.200 -2.349 179 H LEU 23 HN LEU 23 -5.843 3.994 -2.434 180 HA LEU 23 HA LEU 23 -5.506 5.286 0.160 181 HB2 LEU 23 HB2 LEU 23 -3.505 5.011 -2.130 182 HB3 LEU 23 HB1 LEU 23 -3.138 5.448 -0.468 183 HG LEU 23 HG LEU 23 -4.139 2.727 -1.399 184 HD11 LEU 23 HD11 LEU 23 -1.829 3.112 -2.083 185 HD12 LEU 23 HD12 LEU 23 -1.923 1.872 -0.836 186 HD13 LEU 23 HD13 LEU 23 -1.381 3.500 -0.419 187 HD21 LEU 23 HD21 LEU 23 -3.349 3.600 1.388 188 HD22 LEU 23 HD22 LEU 23 -3.722 1.946 0.892 189 HD23 LEU 23 HD23 LEU 23 -4.973 3.185 0.830 190 H GLY 24 HN GLY 24 -6.551 6.240 -2.910 191 HA2 GLY 24 HA2 GLY 24 -7.302 8.291 -3.652 192 HA3 GLY 24 HA1 GLY 24 -6.610 9.056 -2.234 193 H VAL 25 HN VAL 25 -4.498 7.054 -4.039 194 HA VAL 25 HA VAL 25 -3.023 9.401 -5.096 195 HB VAL 25 HB VAL 25 -0.962 8.191 -4.691 196 HG11 VAL 25 HG11 VAL 25 -1.957 9.350 -2.730 197 HG12 VAL 25 HG12 VAL 25 -0.966 7.970 -2.257 198 HG13 VAL 25 HG13 VAL 25 -2.727 7.831 -2.244 199 HG21 VAL 25 HG21 VAL 25 -0.876 5.901 -3.734 200 HG22 VAL 25 HG22 VAL 25 -1.674 5.913 -5.305 201 HG23 VAL 25 HG23 VAL 25 -2.638 5.794 -3.833 202 H ASN 26 HN ASN 26 -1.381 8.608 -6.842 203 HA ASN 26 HA ASN 26 -2.733 7.150 -8.996 204 HB2 ASN 26 HB2 ASN 26 -0.066 8.648 -8.893 205 HB3 ASN 26 HB1 ASN 26 -0.712 7.866 -10.332 206 HD21 ASN 26 HD21 ASN 26 -0.597 9.933 -11.370 207 HD22 ASN 26 HD22 ASN 26 -1.782 11.154 -11.067 208 H GLN 27 HN GLN 27 -1.546 5.409 -10.151 209 HA GLN 27 HA GLN 27 -0.546 3.378 -8.424 210 HB2 GLN 27 HB2 GLN 27 -0.436 3.549 -11.474 211 HB3 GLN 27 HB1 GLN 27 -0.026 2.110 -10.544 212 HG2 GLN 27 HG2 GLN 27 -2.329 1.965 -9.712 213 HG3 GLN 27 HG1 GLN 27 -2.758 3.431 -10.596 214 HE21 GLN 27 HE21 GLN 27 -2.820 3.346 -12.912 215 HE22 GLN 27 HE22 GLN 27 -2.967 1.840 -13.750 216 H SER 28 HN SER 28 1.049 5.946 -10.122 217 HA SER 28 HA SER 28 3.653 5.001 -10.396 218 HB2 SER 28 HB2 SER 28 2.725 7.840 -9.767 219 HB3 SER 28 HB1 SER 28 4.327 7.403 -10.369 220 HG SER 28 HG SER 28 3.175 6.416 -12.189 221 H ALA 29 HN ALA 29 2.051 6.392 -7.551 222 HA ALA 29 HA ALA 29 4.137 6.422 -5.659 223 HB1 ALA 29 HB1 ALA 29 1.226 5.663 -5.197 224 HB2 ALA 29 HB2 ALA 29 1.826 7.312 -5.316 225 HB3 ALA 29 HB3 ALA 29 2.367 6.285 -3.996 226 H ILE 30 HN ILE 30 1.843 3.815 -6.406 227 HA ILE 30 HA ILE 30 2.880 1.857 -4.679 228 HB ILE 30 HB ILE 30 1.449 1.339 -7.340 229 HG12 ILE 30 HG12 ILE 30 0.108 2.958 -6.093 230 HG13 ILE 30 HG11 ILE 30 -0.698 1.397 -6.051 231 HG21 ILE 30 HG21 ILE 30 1.555 -0.352 -4.813 232 HG22 ILE 30 HG22 ILE 30 2.374 -0.701 -6.338 233 HG23 ILE 30 HG23 ILE 30 0.612 -0.716 -6.259 234 HD11 ILE 30 HD11 ILE 30 0.869 2.670 -3.803 235 HD12 ILE 30 HD12 ILE 30 0.120 1.070 -3.744 236 HD13 ILE 30 HD13 ILE 30 -0.882 2.508 -3.929 237 H SER 31 HN SER 31 3.710 2.767 -8.001 238 HA SER 31 HA SER 31 5.345 0.507 -8.662 239 HB2 SER 31 HB2 SER 31 5.289 3.298 -9.932 240 HB3 SER 31 HB1 SER 31 5.964 1.833 -10.650 241 HG SER 31 HG SER 31 3.297 1.766 -9.811 242 H GLN 32 HN GLN 32 6.033 3.752 -7.300 243 HA GLN 32 HA GLN 32 8.888 3.585 -7.453 244 HB2 GLN 32 HB2 GLN 32 7.116 5.245 -5.588 245 HB3 GLN 32 HB1 GLN 32 8.864 5.415 -5.699 246 HG2 GLN 32 HG2 GLN 32 6.842 6.011 -7.868 247 HG3 GLN 32 HG1 GLN 32 7.797 7.174 -6.960 248 HE21 GLN 32 HE21 GLN 32 10.033 7.331 -7.407 249 HE22 GLN 32 HE22 GLN 32 10.692 6.812 -8.916 250 H MET 33 HN MET 33 6.502 2.715 -5.031 251 HA MET 33 HA MET 33 8.207 1.934 -2.898 252 HB2 MET 33 HB2 MET 33 5.374 1.081 -3.554 253 HB3 MET 33 HB1 MET 33 6.170 0.903 -1.994 254 HG2 MET 33 HG2 MET 33 6.309 3.693 -2.819 255 HG3 MET 33 HG1 MET 33 4.651 3.124 -2.916 256 HE1 MET 33 HE1 MET 33 4.664 0.870 -0.685 257 HE2 MET 33 HE2 MET 33 3.357 2.027 -0.970 258 HE3 MET 33 HE3 MET 33 3.992 1.797 0.663 259 H VAL 34 HN VAL 34 6.670 0.165 -5.539 260 HA VAL 34 HA VAL 34 7.475 -2.466 -4.821 261 HB VAL 34 HB VAL 34 6.375 -1.205 -7.371 262 HG11 VAL 34 HG11 VAL 34 7.065 -4.145 -7.039 263 HG12 VAL 34 HG12 VAL 34 7.835 -3.007 -8.148 264 HG13 VAL 34 HG13 VAL 34 6.144 -3.443 -8.374 265 HG21 VAL 34 HG21 VAL 34 5.195 -3.250 -5.448 266 HG22 VAL 34 HG22 VAL 34 4.380 -2.570 -6.860 267 HG23 VAL 34 HG23 VAL 34 4.800 -1.531 -5.499 268 H ARG 35 HN ARG 35 8.760 -0.125 -7.222 269 HA ARG 35 HA ARG 35 10.863 -1.916 -8.074 270 HB2 ARG 35 HB2 ARG 35 10.327 0.998 -8.789 271 HB3 ARG 35 HB1 ARG 35 11.572 0.002 -9.534 272 HG2 ARG 35 HG2 ARG 35 8.570 -0.345 -9.744 273 HG3 ARG 35 HG1 ARG 35 9.699 0.092 -11.026 274 HD2 ARG 35 HD2 ARG 35 9.429 -2.593 -9.640 275 HD3 ARG 35 HD1 ARG 35 9.075 -2.215 -11.328 276 HE ARG 35 HE ARG 35 11.640 -1.630 -11.320 277 HH11 ARG 35 HH11 ARG 35 10.099 -4.385 -9.774 278 HH12 ARG 35 HH12 ARG 35 11.499 -5.398 -9.899 279 HH21 ARG 35 HH21 ARG 35 13.506 -2.972 -11.437 280 HH22 ARG 35 HH22 ARG 35 13.425 -4.601 -10.841 281 H ALA 36 HN ALA 36 10.584 0.360 -5.524 282 HA ALA 36 HA ALA 36 13.359 0.964 -5.150 283 HB1 ALA 36 HB1 ALA 36 11.586 2.298 -4.084 284 HB2 ALA 36 HB2 ALA 36 12.690 1.650 -2.871 285 HB3 ALA 36 HB3 ALA 36 11.104 0.908 -3.109 286 H GLY 37 HN GLY 37 11.692 -1.959 -4.920 287 HA2 GLY 37 HA2 GLY 37 12.363 -4.063 -4.250 288 HA3 GLY 37 HA1 GLY 37 13.854 -3.371 -3.627 289 H ARG 38 HN ARG 38 11.119 -1.729 -2.537 290 HA ARG 38 HA ARG 38 11.454 -2.757 0.163 291 HB2 ARG 38 HB2 ARG 38 10.163 -0.329 -1.091 292 HB3 ARG 38 HB1 ARG 38 9.542 -0.864 0.461 293 HG2 ARG 38 HG2 ARG 38 11.187 0.931 0.711 294 HG3 ARG 38 HG1 ARG 38 11.703 -0.547 1.512 295 HD2 ARG 38 HD2 ARG 38 12.713 0.322 -1.213 296 HD3 ARG 38 HD1 ARG 38 13.517 0.734 0.297 297 HE ARG 38 HE ARG 38 13.683 -1.718 -1.117 298 HH11 ARG 38 HH11 ARG 38 14.666 -1.812 2.787 299 HH12 ARG 38 HH12 ARG 38 13.769 -0.457 2.184 300 HH21 ARG 38 HH21 ARG 38 14.754 -3.526 -0.255 301 HH22 ARG 38 HH22 ARG 38 15.221 -3.538 1.419 302 H CYS 39 HN CYS 39 10.360 -4.569 0.627 303 HA CYS 39 HA CYS 39 7.821 -5.286 -0.557 304 HB2 CYS 39 HB2 CYS 39 9.580 -6.964 0.115 305 HB3 CYS 39 HB1 CYS 39 9.321 -6.531 1.799 306 HG CYS 39 HG CYS 39 7.247 -8.016 2.220 307 H ILE 40 HN ILE 40 5.965 -4.324 0.116 308 HA ILE 40 HA ILE 40 6.057 -2.677 2.563 309 HB ILE 40 HB ILE 40 4.181 -2.492 0.146 310 HG12 ILE 40 HG12 ILE 40 6.565 -1.953 -0.411 311 HG13 ILE 40 HG11 ILE 40 5.478 -0.589 -0.617 312 HG21 ILE 40 HG21 ILE 40 4.502 -0.559 2.463 313 HG22 ILE 40 HG22 ILE 40 3.124 -1.624 2.177 314 HG23 ILE 40 HG23 ILE 40 3.480 -0.326 1.041 315 HD11 ILE 40 HD11 ILE 40 6.280 0.361 1.499 316 HD12 ILE 40 HD12 ILE 40 7.585 0.099 0.339 317 HD13 ILE 40 HD13 ILE 40 7.371 -1.017 1.685 318 H ASP 41 HN ASP 41 4.570 -2.932 4.186 319 HA ASP 41 HA ASP 41 2.664 -5.182 3.983 320 HB2 ASP 41 HB2 ASP 41 4.208 -5.105 5.933 321 HB3 ASP 41 HB1 ASP 41 3.558 -3.535 6.394 322 H ILE 42 HN ILE 42 0.615 -4.757 3.547 323 HA ILE 42 HA ILE 42 -0.453 -2.069 3.454 324 HB ILE 42 HB ILE 42 -1.689 -4.774 2.733 325 HG12 ILE 42 HG12 ILE 42 0.115 -4.091 1.201 326 HG13 ILE 42 HG11 ILE 42 -1.438 -3.990 0.382 327 HG21 ILE 42 HG21 ILE 42 -2.883 -2.003 2.309 328 HG22 ILE 42 HG22 ILE 42 -3.497 -3.252 3.394 329 HG23 ILE 42 HG23 ILE 42 -3.528 -3.509 1.651 330 HD11 ILE 42 HD11 ILE 42 0.146 -1.662 1.490 331 HD12 ILE 42 HD12 ILE 42 -1.430 -1.541 0.701 332 HD13 ILE 42 HD13 ILE 42 -0.032 -2.110 -0.205 333 H GLU 43 HN GLU 43 -1.509 -1.161 5.033 334 HA GLU 43 HA GLU 43 -2.337 -2.564 7.418 335 HB2 GLU 43 HB2 GLU 43 -1.243 -0.348 7.534 336 HB3 GLU 43 HB1 GLU 43 -2.542 0.364 6.587 337 HG2 GLU 43 HG2 GLU 43 -4.130 -0.059 8.425 338 HG3 GLU 43 HG1 GLU 43 -2.851 -0.829 9.359 339 H LEU 44 HN LEU 44 -4.008 -3.902 6.849 340 HA LEU 44 HA LEU 44 -6.418 -2.875 5.530 341 HB2 LEU 44 HB2 LEU 44 -5.677 -5.118 4.876 342 HB3 LEU 44 HB1 LEU 44 -5.663 -5.650 6.549 343 HG LEU 44 HG LEU 44 -8.181 -5.366 6.610 344 HD11 LEU 44 HD11 LEU 44 -8.452 -3.750 4.802 345 HD12 LEU 44 HD12 LEU 44 -9.426 -5.190 4.516 346 HD13 LEU 44 HD13 LEU 44 -7.913 -4.956 3.622 347 HD21 LEU 44 HD21 LEU 44 -7.176 -7.572 6.229 348 HD22 LEU 44 HD22 LEU 44 -7.182 -7.276 4.486 349 HD23 LEU 44 HD23 LEU 44 -8.708 -7.397 5.373 350 H TYR 45 HN TYR 45 -8.068 -2.107 6.678 351 HA TYR 45 HA TYR 45 -8.228 -2.337 9.571 352 HB2 TYR 45 HB2 TYR 45 -10.102 -0.993 7.571 353 HB3 TYR 45 HB1 TYR 45 -10.163 -0.802 9.317 354 HD1 TYR 45 HD1 TYR 45 -9.457 1.081 6.677 355 HD2 TYR 45 HD2 TYR 45 -7.383 -0.377 10.104 356 HE1 TYR 45 HE1 TYR 45 -7.905 2.959 6.518 357 HE2 TYR 45 HE2 TYR 45 -5.827 1.517 9.954 358 HH TYR 45 HH TYR 45 -5.015 3.048 8.013 359 H THR 46 HN THR 46 -10.083 -3.124 10.630 360 HA THR 46 HA THR 46 -10.819 -5.727 9.806 361 HB THR 46 HB THR 46 -12.305 -5.592 11.927 362 HG1 THR 46 HG1 THR 46 -12.626 -3.508 12.373 363 HG21 THR 46 HG21 THR 46 -10.040 -6.587 12.003 364 HG22 THR 46 HG22 THR 46 -10.379 -5.671 13.472 365 HG23 THR 46 HG23 THR 46 -9.335 -4.984 12.226 366 H ASP 47 HN ASP 47 -12.394 -2.630 9.379 367 HA ASP 47 HA ASP 47 -15.048 -3.669 8.901 368 HB2 ASP 47 HB2 ASP 47 -15.726 -1.443 8.460 369 HB3 ASP 47 HB1 ASP 47 -14.458 -1.265 9.662 370 H GLY 48 HN GLY 48 -12.173 -3.422 7.056 371 HA2 GLY 48 HA2 GLY 48 -12.080 -4.746 5.010 372 HA3 GLY 48 HA1 GLY 48 -13.623 -4.053 4.535 373 H ARG 49 HN ARG 49 -12.286 -1.387 5.758 374 HA ARG 49 HA ARG 49 -11.338 -0.333 3.267 375 HB2 ARG 49 HB2 ARG 49 -11.354 0.730 6.103 376 HB3 ARG 49 HB1 ARG 49 -10.437 1.576 4.871 377 HG2 ARG 49 HG2 ARG 49 -12.590 1.770 3.541 378 HG3 ARG 49 HG1 ARG 49 -13.429 1.139 4.963 379 HD2 ARG 49 HD2 ARG 49 -13.562 3.559 4.990 380 HD3 ARG 49 HD1 ARG 49 -12.503 3.042 6.304 381 HE ARG 49 HE ARG 49 -11.518 4.101 3.710 382 HH11 ARG 49 HH11 ARG 49 -9.824 4.983 7.261 383 HH12 ARG 49 HH12 ARG 49 -11.204 3.936 7.227 384 HH21 ARG 49 HH21 ARG 49 -9.740 5.481 3.774 385 HH22 ARG 49 HH22 ARG 49 -8.984 5.870 5.287 386 H VAL 50 HN VAL 50 -9.183 0.558 2.875 387 HA VAL 50 HA VAL 50 -6.970 -0.444 4.559 388 HB VAL 50 HB VAL 50 -5.528 -0.706 2.487 389 HG11 VAL 50 HG11 VAL 50 -7.872 -2.615 2.681 390 HG12 VAL 50 HG12 VAL 50 -6.386 -2.666 3.634 391 HG13 VAL 50 HG13 VAL 50 -6.323 -2.941 1.897 392 HG21 VAL 50 HG21 VAL 50 -6.626 -1.075 0.285 393 HG22 VAL 50 HG22 VAL 50 -6.844 0.574 0.870 394 HG23 VAL 50 HG23 VAL 50 -8.174 -0.579 0.981 395 H GLU 51 HN GLU 51 -5.420 1.035 4.936 396 HA GLU 51 HA GLU 51 -4.912 3.223 3.119 397 HB2 GLU 51 HB2 GLU 51 -6.755 4.067 4.628 398 HB3 GLU 51 HB1 GLU 51 -5.683 3.844 6.004 399 HG2 GLU 51 HG2 GLU 51 -4.152 5.523 5.132 400 HG3 GLU 51 HG1 GLU 51 -5.129 5.707 3.671 401 H CYS 52 HN CYS 52 -2.765 3.442 3.056 402 HA CYS 52 HA CYS 52 -1.211 1.663 4.783 403 HB2 CYS 52 HB2 CYS 52 -1.181 1.299 2.328 404 HB3 CYS 52 HB1 CYS 52 -0.519 2.914 2.094 405 HG CYS 52 HG CYS 52 1.036 0.264 3.610 406 H ARG 53 HN ARG 53 0.070 2.493 6.323 407 HA ARG 53 HA ARG 53 0.579 5.270 6.720 408 HB2 ARG 53 HB2 ARG 53 0.598 3.568 8.546 409 HB3 ARG 53 HB1 ARG 53 2.018 2.820 7.828 410 HG2 ARG 53 HG2 ARG 53 2.960 5.372 8.175 411 HG3 ARG 53 HG1 ARG 53 1.798 5.283 9.501 412 HD2 ARG 53 HD2 ARG 53 3.992 4.597 10.297 413 HD3 ARG 53 HD1 ARG 53 2.915 3.192 10.293 414 HE ARG 53 HE ARG 53 4.446 3.479 7.864 415 HH11 ARG 53 HH11 ARG 53 5.793 0.985 10.731 416 HH12 ARG 53 HH12 ARG 53 4.571 2.148 11.136 417 HH21 ARG 53 HH21 ARG 53 6.064 1.979 7.367 418 HH22 ARG 53 HH22 ARG 53 6.638 0.890 8.592 419 H GLU 54 HN GLU 54 2.363 2.614 5.254 420 HA GLU 54 HA GLU 54 4.858 3.920 4.882 421 HB2 GLU 54 HB2 GLU 54 4.360 1.406 4.924 422 HB3 GLU 54 HB1 GLU 54 3.827 1.588 3.256 423 HG2 GLU 54 HG2 GLU 54 6.131 0.789 3.371 424 HG3 GLU 54 HG1 GLU 54 6.048 2.370 2.601 425 H LEU 55 HN LEU 55 1.947 3.630 2.921 426 HA LEU 55 HA LEU 55 3.114 5.342 0.820 427 HB2 LEU 55 HB2 LEU 55 1.916 3.101 0.273 428 HB3 LEU 55 HB1 LEU 55 0.423 3.915 0.690 429 HG LEU 55 HG LEU 55 0.887 3.785 -1.787 430 HD11 LEU 55 HD11 LEU 55 0.293 6.077 -2.380 431 HD12 LEU 55 HD12 LEU 55 0.730 6.631 -0.760 432 HD13 LEU 55 HD13 LEU 55 -0.623 5.523 -0.979 433 HD21 LEU 55 HD21 LEU 55 2.604 5.174 -2.796 434 HD22 LEU 55 HD22 LEU 55 3.324 4.032 -1.675 435 HD23 LEU 55 HD23 LEU 55 3.144 5.723 -1.209 436 H ARG 56 HN ARG 56 3.054 7.152 2.271 437 HA ARG 56 HA ARG 56 0.498 8.432 2.799 438 HB2 ARG 56 HB2 ARG 56 3.375 9.404 2.985 439 HB3 ARG 56 HB1 ARG 56 1.980 10.420 3.360 440 HG2 ARG 56 HG2 ARG 56 1.311 8.928 5.163 441 HG3 ARG 56 HG1 ARG 56 2.619 7.808 4.771 442 HD2 ARG 56 HD2 ARG 56 4.277 9.514 5.371 443 HD3 ARG 56 HD1 ARG 56 2.982 10.666 5.693 444 HE ARG 56 HE ARG 56 2.469 9.569 7.671 445 HH11 ARG 56 HH11 ARG 56 5.029 7.804 6.025 446 HH12 ARG 56 HH12 ARG 56 5.427 6.855 7.422 447 HH21 ARG 56 HH21 ARG 56 4.262 7.148 9.383 448 HH22 ARG 56 HH22 ARG 56 2.982 8.316 9.479 449 HA PRO 57 HA PRO 57 -0.049 10.758 -1.179 450 HB2 PRO 57 HB2 PRO 57 -0.177 13.016 0.860 451 HB3 PRO 57 HB1 PRO 57 -1.167 12.758 -0.598 452 HG2 PRO 57 HG2 PRO 57 -2.155 12.095 1.754 453 HG3 PRO 57 HG1 PRO 57 -2.397 11.017 0.361 454 HD2 PRO 57 HD2 PRO 57 -0.580 10.667 2.718 455 HD3 PRO 57 HD1 PRO 57 -1.402 9.442 1.724 456 H ASP 58 HN ASP 58 2.220 11.700 1.336 457 HA ASP 58 HA ASP 58 3.589 13.789 -0.016 458 HB2 ASP 58 HB2 ASP 58 4.565 12.086 2.328 459 HB3 ASP 58 HB1 ASP 58 5.207 13.652 1.842 460 H VAL 59 HN VAL 59 3.804 10.398 -0.310 461 HA VAL 59 HA VAL 59 6.405 9.808 -0.994 462 HB VAL 59 HB VAL 59 3.717 8.698 -1.899 463 HG11 VAL 59 HG11 VAL 59 6.424 7.555 -2.735 464 HG12 VAL 59 HG12 VAL 59 5.201 8.234 -3.811 465 HG13 VAL 59 HG13 VAL 59 4.868 6.741 -2.934 466 HG21 VAL 59 HG21 VAL 59 4.401 6.762 -0.496 467 HG22 VAL 59 HG22 VAL 59 4.427 8.268 0.422 468 HG23 VAL 59 HG23 VAL 59 5.940 7.557 -0.144 469 H PHE 60 HN PHE 60 4.023 11.562 -2.924 470 HA PHE 60 HA PHE 60 6.090 12.408 -4.778 471 HB2 PHE 60 HB2 PHE 60 5.005 11.672 -6.829 472 HB3 PHE 60 HB1 PHE 60 5.368 10.284 -5.816 473 HD1 PHE 60 HD1 PHE 60 3.198 10.007 -3.991 474 HD2 PHE 60 HD2 PHE 60 3.072 11.272 -8.062 475 HE1 PHE 60 HE1 PHE 60 0.878 9.227 -4.162 476 HE2 PHE 60 HE2 PHE 60 0.747 10.491 -8.229 477 HZ PHE 60 HZ PHE 60 -0.347 9.475 -6.276 478 H GLY 61 HN GLY 61 3.849 13.348 -2.832 479 HA2 GLY 61 HA2 GLY 61 2.852 15.389 -2.526 480 HA3 GLY 61 HA1 GLY 61 3.401 15.884 -4.121 481 H ALA 62 HN ALA 62 1.097 13.678 -2.581 482 HA ALA 62 HA ALA 62 -0.895 14.159 -4.722 483 HB1 ALA 62 HB1 ALA 62 -0.572 11.767 -2.859 484 HB2 ALA 62 HB2 ALA 62 -0.141 11.818 -4.569 485 HB3 ALA 62 HB3 ALA 62 -1.833 11.952 -4.082 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -3.099 -4.585 13.193 2 H2 MET 1 HT2 MET 1 -4.619 -5.309 13.137 3 H3 MET 1 HT3 MET 1 -4.458 -3.675 12.766 4 HA MET 1 HA MET 1 -4.768 -4.995 10.787 5 HB2 MET 1 HB2 MET 1 -1.869 -4.045 10.815 6 HB3 MET 1 HB1 MET 1 -2.989 -4.063 9.455 7 HG2 MET 1 HG2 MET 1 -2.746 -1.794 10.138 8 HG3 MET 1 HG1 MET 1 -4.347 -2.318 10.657 9 HE1 MET 1 HE1 MET 1 -0.772 -1.924 13.574 10 HE2 MET 1 HE2 MET 1 -0.654 -1.551 11.856 11 HE3 MET 1 HE3 MET 1 -0.898 -3.218 12.379 12 H LYS 2 HN LYS 2 -4.379 -6.916 9.679 13 HA LYS 2 HA LYS 2 -2.207 -8.680 10.601 14 HB2 LYS 2 HB2 LYS 2 -3.353 -10.455 9.342 15 HB3 LYS 2 HB1 LYS 2 -4.480 -9.660 10.429 16 HG2 LYS 2 HG2 LYS 2 -5.322 -8.325 8.461 17 HG3 LYS 2 HG1 LYS 2 -4.299 -9.322 7.426 18 HD2 LYS 2 HD2 LYS 2 -6.602 -10.158 7.397 19 HD3 LYS 2 HD1 LYS 2 -5.542 -11.347 8.152 20 HE2 LYS 2 HE2 LYS 2 -6.326 -10.680 10.372 21 HE3 LYS 2 HE1 LYS 2 -7.302 -9.388 9.673 22 HZ1 LYS 2 HZ1 LYS 2 -7.714 -12.294 9.168 23 HZ2 LYS 2 HZ2 LYS 2 -8.676 -11.039 8.585 24 HZ3 LYS 2 HZ3 LYS 2 -8.620 -11.354 10.239 25 H LYS 3 HN LYS 3 -0.437 -9.087 9.315 26 HA LYS 3 HA LYS 3 0.077 -7.244 7.142 27 HB2 LYS 3 HB2 LYS 3 2.358 -8.150 7.119 28 HB3 LYS 3 HB1 LYS 3 1.865 -7.749 8.759 29 HG2 LYS 3 HG2 LYS 3 1.471 -10.126 9.255 30 HG3 LYS 3 HG1 LYS 3 1.901 -10.560 7.597 31 HD2 LYS 3 HD2 LYS 3 4.204 -9.684 7.977 32 HD3 LYS 3 HD1 LYS 3 3.766 -9.272 9.637 33 HE2 LYS 3 HE2 LYS 3 3.394 -11.655 10.141 34 HE3 LYS 3 HE1 LYS 3 3.779 -12.078 8.471 35 HZ1 LYS 3 HZ1 LYS 3 5.630 -10.891 10.471 36 HZ2 LYS 3 HZ2 LYS 3 6.016 -11.118 8.845 37 HZ3 LYS 3 HZ3 LYS 3 5.694 -12.448 9.830 38 H ILE 4 HN ILE 4 0.006 -7.655 5.032 39 HA ILE 4 HA ILE 4 -0.041 -10.442 4.023 40 HB ILE 4 HB ILE 4 -1.190 -7.960 2.680 41 HG12 ILE 4 HG12 ILE 4 -2.572 -10.279 4.072 42 HG13 ILE 4 HG11 ILE 4 -2.712 -8.561 4.440 43 HG21 ILE 4 HG21 ILE 4 -0.304 -9.538 1.011 44 HG22 ILE 4 HG22 ILE 4 -2.060 -9.412 0.915 45 HG23 ILE 4 HG23 ILE 4 -1.315 -10.816 1.686 46 HD11 ILE 4 HD11 ILE 4 -4.692 -9.321 3.367 47 HD12 ILE 4 HD12 ILE 4 -3.779 -9.984 2.018 48 HD13 ILE 4 HD13 ILE 4 -3.843 -8.235 2.269 49 HA PRO 5 HA PRO 5 3.865 -9.218 1.996 50 HB2 PRO 5 HB2 PRO 5 3.176 -11.357 -0.003 51 HB3 PRO 5 HB1 PRO 5 4.606 -11.225 1.044 52 HG2 PRO 5 HG2 PRO 5 2.715 -13.071 1.526 53 HG3 PRO 5 HG1 PRO 5 3.556 -12.243 2.861 54 HD2 PRO 5 HD2 PRO 5 0.813 -11.674 1.723 55 HD3 PRO 5 HD1 PRO 5 1.314 -11.758 3.422 56 H LEU 6 HN LEU 6 4.080 -7.583 0.500 57 HA LEU 6 HA LEU 6 2.076 -6.225 -0.740 58 HB2 LEU 6 HB2 LEU 6 4.329 -5.318 -0.538 59 HB3 LEU 6 HB1 LEU 6 4.957 -6.517 -1.653 60 HG LEU 6 HG LEU 6 3.607 -5.437 -3.500 61 HD11 LEU 6 HD11 LEU 6 1.846 -4.383 -2.190 62 HD12 LEU 6 HD12 LEU 6 2.695 -3.184 -3.165 63 HD13 LEU 6 HD13 LEU 6 3.020 -3.303 -1.432 64 HD21 LEU 6 HD21 LEU 6 5.979 -4.911 -3.184 65 HD22 LEU 6 HD22 LEU 6 5.553 -3.601 -2.082 66 HD23 LEU 6 HD23 LEU 6 5.085 -3.512 -3.782 67 H SER 7 HN SER 7 4.092 -8.740 -2.212 68 HA SER 7 HA SER 7 2.998 -8.814 -4.773 69 HB2 SER 7 HB2 SER 7 3.956 -11.203 -4.757 70 HB3 SER 7 HB1 SER 7 5.085 -9.903 -4.355 71 HG SER 7 HG SER 7 5.433 -11.055 -2.622 72 H LYS 8 HN LYS 8 2.175 -10.917 -1.948 73 HA LYS 8 HA LYS 8 0.203 -12.442 -3.304 74 HB2 LYS 8 HB2 LYS 8 0.955 -12.116 -0.398 75 HB3 LYS 8 HB1 LYS 8 -0.544 -12.952 -0.790 76 HG2 LYS 8 HG2 LYS 8 1.215 -14.569 -0.471 77 HG3 LYS 8 HG1 LYS 8 0.723 -14.570 -2.167 78 HD2 LYS 8 HD2 LYS 8 2.737 -13.008 -2.581 79 HD3 LYS 8 HD1 LYS 8 3.262 -13.429 -0.945 80 HE2 LYS 8 HE2 LYS 8 4.379 -14.855 -2.578 81 HE3 LYS 8 HE1 LYS 8 3.276 -15.829 -1.602 82 HZ1 LYS 8 HZ1 LYS 8 3.150 -16.343 -3.984 83 HZ2 LYS 8 HZ2 LYS 8 2.650 -14.763 -4.308 84 HZ3 LYS 8 HZ3 LYS 8 1.673 -15.785 -3.386 85 H TYR 9 HN TYR 9 -0.021 -9.370 -1.673 86 HA TYR 9 HA TYR 9 -2.877 -9.264 -1.581 87 HB2 TYR 9 HB2 TYR 9 -1.423 -7.715 -0.229 88 HB3 TYR 9 HB1 TYR 9 -0.918 -6.915 -1.716 89 HD1 TYR 9 HD1 TYR 9 -3.846 -7.626 0.478 90 HD2 TYR 9 HD2 TYR 9 -2.344 -5.257 -2.761 91 HE1 TYR 9 HE1 TYR 9 -5.846 -6.234 0.576 92 HE2 TYR 9 HE2 TYR 9 -4.359 -3.853 -2.656 93 HH TYR 9 HH TYR 9 -6.660 -4.020 -1.889 94 H LEU 10 HN LEU 10 -0.416 -8.027 -3.848 95 HA LEU 10 HA LEU 10 -2.211 -6.873 -5.725 96 HB2 LEU 10 HB2 LEU 10 0.675 -7.774 -6.079 97 HB3 LEU 10 HB1 LEU 10 -0.197 -6.717 -7.181 98 HG LEU 10 HG LEU 10 0.568 -6.059 -4.312 99 HD11 LEU 10 HD11 LEU 10 2.066 -4.385 -5.301 100 HD12 LEU 10 HD12 LEU 10 1.640 -4.953 -6.917 101 HD13 LEU 10 HD13 LEU 10 2.490 -6.023 -5.800 102 HD21 LEU 10 HD21 LEU 10 -0.897 -4.353 -6.330 103 HD22 LEU 10 HD22 LEU 10 -0.264 -3.791 -4.781 104 HD23 LEU 10 HD23 LEU 10 -1.544 -5.000 -4.820 105 H GLU 11 HN GLU 11 -1.143 -10.115 -5.234 106 HA GLU 11 HA GLU 11 -1.817 -11.113 -7.890 107 HB2 GLU 11 HB2 GLU 11 -1.021 -12.537 -5.308 108 HB3 GLU 11 HB1 GLU 11 -1.352 -13.372 -6.821 109 HG2 GLU 11 HG2 GLU 11 0.540 -12.318 -7.909 110 HG3 GLU 11 HG1 GLU 11 0.816 -11.279 -6.511 111 H GLU 12 HN GLU 12 -3.083 -11.428 -4.553 112 HA GLU 12 HA GLU 12 -5.352 -13.038 -5.583 113 HB2 GLU 12 HB2 GLU 12 -3.955 -13.184 -2.876 114 HB3 GLU 12 HB1 GLU 12 -5.286 -14.213 -3.400 115 HG2 GLU 12 HG2 GLU 12 -3.891 -15.234 -5.122 116 HG3 GLU 12 HG1 GLU 12 -2.574 -14.120 -4.769 117 H HIS 13 HN HIS 13 -4.449 -10.664 -3.056 118 HA HIS 13 HA HIS 13 -7.244 -10.451 -2.156 119 HB2 HIS 13 HB2 HIS 13 -4.649 -9.321 -1.038 120 HB3 HIS 13 HB1 HIS 13 -6.226 -8.968 -0.351 121 HD1 HIS 13 HD1 HIS 13 -7.004 -10.497 1.419 122 HD2 HIS 13 HD2 HIS 13 -4.009 -12.221 -0.891 123 HE1 HIS 13 HE1 HIS 13 -6.454 -12.662 2.542 124 HE2 HIS 13 HE2 HIS 13 -4.764 -13.758 1.045 125 H GLY 14 HN GLY 14 -5.605 -9.032 -4.601 126 HA2 GLY 14 HA2 GLY 14 -7.389 -7.000 -5.192 127 HA3 GLY 14 HA1 GLY 14 -6.122 -6.237 -4.228 128 H THR 15 HN THR 15 -6.016 -5.064 -6.398 129 HA THR 15 HA THR 15 -3.788 -6.256 -7.969 130 HB THR 15 HB THR 15 -4.547 -4.677 -9.832 131 HG1 THR 15 HG1 THR 15 -7.005 -4.291 -9.481 132 HG21 THR 15 HG21 THR 15 -6.591 -6.794 -9.071 133 HG22 THR 15 HG22 THR 15 -5.082 -7.099 -9.935 134 HG23 THR 15 HG23 THR 15 -6.337 -6.108 -10.679 135 H GLN 16 HN GLN 16 -2.525 -4.296 -9.050 136 HA GLN 16 HA GLN 16 -1.574 -2.521 -7.029 137 HB2 GLN 16 HB2 GLN 16 -1.172 -2.285 -10.053 138 HB3 GLN 16 HB1 GLN 16 -0.302 -1.358 -8.836 139 HG2 GLN 16 HG2 GLN 16 1.237 -3.024 -9.385 140 HG3 GLN 16 HG1 GLN 16 0.481 -3.679 -7.936 141 HE21 GLN 16 HE21 GLN 16 -0.937 -5.466 -8.159 142 HE22 GLN 16 HE22 GLN 16 -0.945 -6.445 -9.580 143 H SER 17 HN SER 17 -3.876 -2.285 -9.653 144 HA SER 17 HA SER 17 -4.598 0.407 -9.594 145 HB2 SER 17 HB2 SER 17 -6.359 -2.016 -10.165 146 HB3 SER 17 HB1 SER 17 -6.670 -0.361 -10.687 147 HG SER 17 HG SER 17 -4.219 -1.093 -11.491 148 H ALA 18 HN ALA 18 -5.957 -2.374 -7.812 149 HA ALA 18 HA ALA 18 -8.016 -0.985 -6.459 150 HB1 ALA 18 HB1 ALA 18 -7.991 -3.432 -6.763 151 HB2 ALA 18 HB2 ALA 18 -8.186 -2.985 -5.065 152 HB3 ALA 18 HB3 ALA 18 -6.620 -3.557 -5.655 153 H LEU 19 HN LEU 19 -4.707 -1.861 -5.588 154 HA LEU 19 HA LEU 19 -4.868 -1.148 -2.856 155 HB2 LEU 19 HB2 LEU 19 -3.120 -2.663 -3.707 156 HB3 LEU 19 HB1 LEU 19 -2.424 -1.361 -4.660 157 HG LEU 19 HG LEU 19 -1.768 -0.166 -2.583 158 HD11 LEU 19 HD11 LEU 19 -3.541 -0.885 -1.066 159 HD12 LEU 19 HD12 LEU 19 -1.953 -1.204 -0.375 160 HD13 LEU 19 HD13 LEU 19 -2.899 -2.530 -1.057 161 HD21 LEU 19 HD21 LEU 19 -0.184 -1.730 -3.604 162 HD22 LEU 19 HD22 LEU 19 -0.813 -3.042 -2.604 163 HD23 LEU 19 HD23 LEU 19 0.008 -1.672 -1.852 164 H ALA 20 HN ALA 20 -3.481 0.513 -5.684 165 HA ALA 20 HA ALA 20 -2.813 2.977 -4.534 166 HB1 ALA 20 HB1 ALA 20 -2.793 3.813 -6.837 167 HB2 ALA 20 HB2 ALA 20 -3.695 2.395 -7.387 168 HB3 ALA 20 HB3 ALA 20 -2.057 2.216 -6.749 169 H ALA 21 HN ALA 21 -5.903 1.847 -5.908 170 HA ALA 21 HA ALA 21 -7.299 4.314 -5.808 171 HB1 ALA 21 HB1 ALA 21 -9.323 2.976 -6.076 172 HB2 ALA 21 HB2 ALA 21 -8.427 1.503 -5.671 173 HB3 ALA 21 HB3 ALA 21 -8.046 2.400 -7.143 174 H ALA 22 HN ALA 22 -6.856 1.728 -3.437 175 HA ALA 22 HA ALA 22 -8.700 2.719 -1.483 176 HB1 ALA 22 HB1 ALA 22 -6.348 0.818 -1.151 177 HB2 ALA 22 HB2 ALA 22 -8.010 0.369 -1.525 178 HB3 ALA 22 HB3 ALA 22 -7.641 1.096 0.035 179 H LEU 23 HN LEU 23 -5.252 3.145 -2.088 180 HA LEU 23 HA LEU 23 -4.713 4.654 0.314 181 HB2 LEU 23 HB2 LEU 23 -3.036 4.380 -2.210 182 HB3 LEU 23 HB1 LEU 23 -2.477 4.973 -0.656 183 HG LEU 23 HG LEU 23 -3.250 2.120 -1.355 184 HD11 LEU 23 HD11 LEU 23 -1.023 2.791 -2.111 185 HD12 LEU 23 HD12 LEU 23 -0.933 1.581 -0.835 186 HD13 LEU 23 HD13 LEU 23 -0.596 3.276 -0.466 187 HD21 LEU 23 HD21 LEU 23 -4.084 2.544 0.876 188 HD22 LEU 23 HD22 LEU 23 -2.528 3.215 1.370 189 HD23 LEU 23 HD23 LEU 23 -2.660 1.503 0.962 190 H GLY 24 HN GLY 24 -5.913 5.408 -2.835 191 HA2 GLY 24 HA2 GLY 24 -6.603 7.384 -3.803 192 HA3 GLY 24 HA1 GLY 24 -6.108 8.251 -2.356 193 H VAL 25 HN VAL 25 -3.934 6.132 -4.028 194 HA VAL 25 HA VAL 25 -2.313 8.390 -5.053 195 HB VAL 25 HB VAL 25 -0.311 7.129 -4.621 196 HG11 VAL 25 HG11 VAL 25 -2.120 6.814 -2.200 197 HG12 VAL 25 HG12 VAL 25 -1.224 8.271 -2.643 198 HG13 VAL 25 HG13 VAL 25 -0.354 6.811 -2.178 199 HG21 VAL 25 HG21 VAL 25 -1.013 4.882 -5.283 200 HG22 VAL 25 HG22 VAL 25 -2.044 4.746 -3.859 201 HG23 VAL 25 HG23 VAL 25 -0.288 4.819 -3.674 202 H ASN 26 HN ASN 26 -0.933 7.746 -6.984 203 HA ASN 26 HA ASN 26 -2.386 6.109 -8.921 204 HB2 ASN 26 HB2 ASN 26 -1.322 8.280 -9.596 205 HB3 ASN 26 HB1 ASN 26 0.259 7.615 -9.204 206 HD21 ASN 26 HD21 ASN 26 1.089 7.812 -11.267 207 HD22 ASN 26 HD22 ASN 26 0.531 6.890 -12.622 208 H GLN 27 HN GLN 27 -1.402 4.319 -10.032 209 HA GLN 27 HA GLN 27 -0.251 2.339 -8.417 210 HB2 GLN 27 HB2 GLN 27 -0.321 2.461 -11.465 211 HB3 GLN 27 HB1 GLN 27 0.066 1.027 -10.522 212 HG2 GLN 27 HG2 GLN 27 -2.196 1.050 -9.552 213 HG3 GLN 27 HG1 GLN 27 -2.605 2.458 -10.537 214 HE21 GLN 27 HE21 GLN 27 -2.849 2.174 -12.809 215 HE22 GLN 27 HE22 GLN 27 -3.007 0.608 -13.522 216 H SER 28 HN SER 28 1.287 4.822 -10.290 217 HA SER 28 HA SER 28 3.826 3.908 -10.804 218 HB2 SER 28 HB2 SER 28 4.503 6.358 -10.458 219 HB3 SER 28 HB1 SER 28 3.146 6.098 -11.558 220 HG SER 28 HG SER 28 3.228 7.389 -9.141 221 H ALA 29 HN ALA 29 2.576 5.265 -7.773 222 HA ALA 29 HA ALA 29 4.807 5.074 -6.102 223 HB1 ALA 29 HB1 ALA 29 2.751 6.208 -5.487 224 HB2 ALA 29 HB2 ALA 29 3.124 4.968 -4.291 225 HB3 ALA 29 HB3 ALA 29 1.865 4.693 -5.497 226 H ILE 30 HN ILE 30 2.198 2.691 -6.571 227 HA ILE 30 HA ILE 30 3.100 0.752 -4.752 228 HB ILE 30 HB ILE 30 1.429 0.255 -7.276 229 HG12 ILE 30 HG12 ILE 30 0.390 2.104 -6.091 230 HG13 ILE 30 HG11 ILE 30 -0.588 0.670 -5.830 231 HG21 ILE 30 HG21 ILE 30 1.483 -1.262 -4.644 232 HG22 ILE 30 HG22 ILE 30 2.141 -1.824 -6.186 233 HG23 ILE 30 HG23 ILE 30 0.403 -1.584 -5.999 234 HD11 ILE 30 HD11 ILE 30 1.292 1.963 -3.855 235 HD12 ILE 30 HD12 ILE 30 0.424 0.450 -3.575 236 HD13 ILE 30 HD13 ILE 30 -0.469 1.948 -3.823 237 H SER 31 HN SER 31 3.695 1.161 -8.227 238 HA SER 31 HA SER 31 5.056 -1.326 -8.635 239 HB2 SER 31 HB2 SER 31 3.846 -0.210 -10.451 240 HB3 SER 31 HB1 SER 31 4.900 1.204 -10.341 241 HG SER 31 HG SER 31 6.277 0.197 -11.563 242 H GLN 32 HN GLN 32 6.125 2.032 -7.887 243 HA GLN 32 HA GLN 32 8.934 1.469 -8.190 244 HB2 GLN 32 HB2 GLN 32 7.425 3.681 -6.729 245 HB3 GLN 32 HB1 GLN 32 9.183 3.590 -6.729 246 HG2 GLN 32 HG2 GLN 32 7.451 3.845 -9.196 247 HG3 GLN 32 HG1 GLN 32 8.313 5.168 -8.412 248 HE21 GLN 32 HE21 GLN 32 10.579 5.263 -8.619 249 HE22 GLN 32 HE22 GLN 32 11.435 4.359 -9.815 250 H MET 33 HN MET 33 6.625 1.111 -5.583 251 HA MET 33 HA MET 33 8.407 0.438 -3.450 252 HB2 MET 33 HB2 MET 33 5.485 -0.240 -3.924 253 HB3 MET 33 HB1 MET 33 6.338 -0.489 -2.406 254 HG2 MET 33 HG2 MET 33 6.625 2.281 -3.325 255 HG3 MET 33 HG1 MET 33 4.933 1.833 -3.166 256 HE1 MET 33 HE1 MET 33 5.271 -0.385 -0.822 257 HE2 MET 33 HE2 MET 33 3.940 0.778 -0.968 258 HE3 MET 33 HE3 MET 33 4.832 0.635 0.563 259 H VAL 34 HN VAL 34 6.756 -1.415 -5.965 260 HA VAL 34 HA VAL 34 7.622 -4.031 -5.264 261 HB VAL 34 HB VAL 34 6.648 -2.778 -7.874 262 HG11 VAL 34 HG11 VAL 34 7.200 -5.728 -7.428 263 HG12 VAL 34 HG12 VAL 34 8.075 -4.656 -8.525 264 HG13 VAL 34 HG13 VAL 34 6.378 -5.031 -8.828 265 HG21 VAL 34 HG21 VAL 34 5.285 -4.694 -5.954 266 HG22 VAL 34 HG22 VAL 34 4.573 -4.039 -7.431 267 HG23 VAL 34 HG23 VAL 34 4.970 -2.965 -6.088 268 H ARG 35 HN ARG 35 8.948 -1.541 -7.444 269 HA ARG 35 HA ARG 35 11.135 -3.157 -8.430 270 HB2 ARG 35 HB2 ARG 35 10.512 -0.185 -8.785 271 HB3 ARG 35 HB1 ARG 35 11.800 -1.043 -9.634 272 HG2 ARG 35 HG2 ARG 35 10.184 -2.456 -10.774 273 HG3 ARG 35 HG1 ARG 35 8.863 -1.767 -9.835 274 HD2 ARG 35 HD2 ARG 35 9.447 0.487 -10.902 275 HD3 ARG 35 HD1 ARG 35 10.502 -0.418 -12.000 276 HE ARG 35 HE ARG 35 7.782 -1.403 -11.825 277 HH11 ARG 35 HH11 ARG 35 9.920 0.775 -13.610 278 HH12 ARG 35 HH12 ARG 35 8.888 0.810 -15.005 279 HH21 ARG 35 HH21 ARG 35 6.442 -1.303 -13.636 280 HH22 ARG 35 HH22 ARG 35 6.920 -0.368 -15.016 281 H ALA 36 HN ALA 36 10.693 -1.229 -5.650 282 HA ALA 36 HA ALA 36 13.315 -0.243 -5.203 283 HB1 ALA 36 HB1 ALA 36 11.336 0.592 -3.997 284 HB2 ALA 36 HB2 ALA 36 12.577 0.047 -2.868 285 HB3 ALA 36 HB3 ALA 36 11.158 -0.961 -3.178 286 H GLY 37 HN GLY 37 11.919 -3.428 -4.874 287 HA2 GLY 37 HA2 GLY 37 12.830 -5.458 -4.257 288 HA3 GLY 37 HA1 GLY 37 14.393 -4.672 -4.098 289 H ARG 38 HN ARG 38 11.934 -3.153 -2.355 290 HA ARG 38 HA ARG 38 12.955 -4.174 0.206 291 HB2 ARG 38 HB2 ARG 38 13.033 -1.685 -0.428 292 HB3 ARG 38 HB1 ARG 38 11.283 -1.672 -0.353 293 HG2 ARG 38 HG2 ARG 38 13.034 -2.383 2.032 294 HG3 ARG 38 HG1 ARG 38 12.525 -0.737 1.674 295 HD2 ARG 38 HD2 ARG 38 10.134 -1.535 1.828 296 HD3 ARG 38 HD1 ARG 38 10.744 -3.088 2.401 297 HE ARG 38 HE ARG 38 11.850 -1.190 4.074 298 HH11 ARG 38 HH11 ARG 38 7.910 -1.742 4.744 299 HH12 ARG 38 HH12 ARG 38 8.592 -2.203 3.215 300 HH21 ARG 38 HH21 ARG 38 9.243 -0.828 6.366 301 HH22 ARG 38 HH22 ARG 38 10.940 -0.584 6.075 302 H CYS 39 HN CYS 39 11.664 -5.560 1.321 303 HA CYS 39 HA CYS 39 9.181 -6.485 0.324 304 HB2 CYS 39 HB2 CYS 39 10.397 -6.938 3.076 305 HB3 CYS 39 HB1 CYS 39 9.144 -7.919 2.315 306 HG CYS 39 HG CYS 39 11.316 -9.503 2.065 307 H ILE 40 HN ILE 40 7.308 -5.395 0.452 308 HA ILE 40 HA ILE 40 6.794 -3.500 2.658 309 HB ILE 40 HB ILE 40 5.318 -3.834 0.010 310 HG12 ILE 40 HG12 ILE 40 7.635 -3.005 -0.323 311 HG13 ILE 40 HG11 ILE 40 6.433 -1.801 -0.757 312 HG21 ILE 40 HG21 ILE 40 4.174 -1.749 0.543 313 HG22 ILE 40 HG22 ILE 40 5.007 -1.667 2.093 314 HG23 ILE 40 HG23 ILE 40 3.857 -2.967 1.782 315 HD11 ILE 40 HD11 ILE 40 8.313 -0.807 0.353 316 HD12 ILE 40 HD12 ILE 40 8.087 -1.850 1.757 317 HD13 ILE 40 HD13 ILE 40 6.871 -0.633 1.352 318 H ASP 41 HN ASP 41 5.304 -3.964 4.189 319 HA ASP 41 HA ASP 41 3.532 -6.304 3.915 320 HB2 ASP 41 HB2 ASP 41 4.165 -4.535 6.322 321 HB3 ASP 41 HB1 ASP 41 3.036 -5.890 6.350 322 H ILE 42 HN ILE 42 1.602 -5.909 3.076 323 HA ILE 42 HA ILE 42 0.273 -3.336 3.191 324 HB ILE 42 HB ILE 42 -0.640 -6.023 2.059 325 HG12 ILE 42 HG12 ILE 42 1.249 -5.115 0.796 326 HG13 ILE 42 HG11 ILE 42 -0.213 -4.929 -0.165 327 HG21 ILE 42 HG21 ILE 42 -2.604 -4.697 2.671 328 HG22 ILE 42 HG22 ILE 42 -2.439 -4.752 0.917 329 HG23 ILE 42 HG23 ILE 42 -1.967 -3.298 1.798 330 HD11 ILE 42 HD11 ILE 42 1.188 -2.753 1.399 331 HD12 ILE 42 HD12 ILE 42 -0.316 -2.550 0.492 332 HD13 ILE 42 HD13 ILE 42 1.173 -2.968 -0.350 333 H GLU 43 HN GLU 43 -0.567 -2.792 5.083 334 HA GLU 43 HA GLU 43 -1.451 -4.628 7.080 335 HB2 GLU 43 HB2 GLU 43 -1.683 -1.609 6.825 336 HB3 GLU 43 HB1 GLU 43 -2.268 -2.499 8.226 337 HG2 GLU 43 HG2 GLU 43 0.087 -3.386 8.536 338 HG3 GLU 43 HG1 GLU 43 0.601 -2.279 7.264 339 H LEU 44 HN LEU 44 -3.113 -5.895 6.334 340 HA LEU 44 HA LEU 44 -5.592 -4.749 5.327 341 HB2 LEU 44 HB2 LEU 44 -4.712 -6.956 4.508 342 HB3 LEU 44 HB1 LEU 44 -4.942 -7.621 6.116 343 HG LEU 44 HG LEU 44 -7.426 -7.189 5.888 344 HD11 LEU 44 HD11 LEU 44 -7.347 -5.381 4.246 345 HD12 LEU 44 HD12 LEU 44 -8.358 -6.708 3.676 346 HD13 LEU 44 HD13 LEU 44 -6.728 -6.498 3.025 347 HD21 LEU 44 HD21 LEU 44 -6.473 -9.413 5.372 348 HD22 LEU 44 HD22 LEU 44 -6.282 -8.923 3.681 349 HD23 LEU 44 HD23 LEU 44 -7.898 -9.050 4.393 350 H TYR 45 HN TYR 45 -6.690 -3.660 6.838 351 HA TYR 45 HA TYR 45 -6.795 -4.100 9.638 352 HB2 TYR 45 HB2 TYR 45 -8.596 -2.541 7.735 353 HB3 TYR 45 HB1 TYR 45 -8.728 -2.449 9.488 354 HD1 TYR 45 HD1 TYR 45 -7.309 -0.940 10.720 355 HD2 TYR 45 HD2 TYR 45 -6.382 -1.781 6.638 356 HE1 TYR 45 HE1 TYR 45 -5.600 0.833 10.736 357 HE2 TYR 45 HE2 TYR 45 -4.679 -0.015 6.651 358 HH TYR 45 HH TYR 45 -4.187 2.084 7.960 359 H THR 46 HN THR 46 -8.987 -4.360 10.769 360 HA THR 46 HA THR 46 -9.703 -7.051 10.590 361 HB THR 46 HB THR 46 -11.339 -4.885 11.998 362 HG1 THR 46 HG1 THR 46 -9.855 -5.674 13.804 363 HG21 THR 46 HG21 THR 46 -10.923 -7.820 12.690 364 HG22 THR 46 HG22 THR 46 -12.400 -7.128 12.017 365 HG23 THR 46 HG23 THR 46 -11.864 -6.658 13.631 366 H ASP 47 HN ASP 47 -11.350 -4.191 9.307 367 HA ASP 47 HA ASP 47 -13.789 -5.578 8.558 368 HB2 ASP 47 HB2 ASP 47 -14.568 -3.425 7.799 369 HB3 ASP 47 HB1 ASP 47 -13.701 -3.157 9.308 370 H GLY 48 HN GLY 48 -10.713 -5.055 7.140 371 HA2 GLY 48 HA2 GLY 48 -10.069 -6.278 5.166 372 HA3 GLY 48 HA1 GLY 48 -11.667 -5.998 4.491 373 H ARG 49 HN ARG 49 -10.573 -3.176 5.981 374 HA ARG 49 HA ARG 49 -9.930 -1.801 3.538 375 HB2 ARG 49 HB2 ARG 49 -11.018 -0.660 5.445 376 HB3 ARG 49 HB1 ARG 49 -9.624 -0.978 6.469 377 HG2 ARG 49 HG2 ARG 49 -8.265 0.588 5.246 378 HG3 ARG 49 HG1 ARG 49 -9.478 0.745 3.970 379 HD2 ARG 49 HD2 ARG 49 -9.903 1.592 6.854 380 HD3 ARG 49 HD1 ARG 49 -9.417 2.680 5.556 381 HE ARG 49 HE ARG 49 -12.009 1.239 5.659 382 HH11 ARG 49 HH11 ARG 49 -11.525 4.932 4.095 383 HH12 ARG 49 HH12 ARG 49 -10.143 4.097 4.742 384 HH21 ARG 49 HH21 ARG 49 -13.789 2.316 4.766 385 HH22 ARG 49 HH22 ARG 49 -13.601 3.915 4.106 386 H VAL 50 HN VAL 50 -7.803 -0.828 3.035 387 HA VAL 50 HA VAL 50 -5.495 -1.953 4.526 388 HB VAL 50 HB VAL 50 -4.176 -2.103 2.415 389 HG11 VAL 50 HG11 VAL 50 -6.642 -3.867 2.418 390 HG12 VAL 50 HG12 VAL 50 -5.178 -4.112 3.376 391 HG13 VAL 50 HG13 VAL 50 -5.103 -4.209 1.620 392 HG21 VAL 50 HG21 VAL 50 -5.453 -0.550 0.996 393 HG22 VAL 50 HG22 VAL 50 -6.820 -1.664 0.966 394 HG23 VAL 50 HG23 VAL 50 -5.290 -2.122 0.209 395 H GLU 51 HN GLU 51 -3.783 -0.613 4.811 396 HA GLU 51 HA GLU 51 -3.554 1.853 3.273 397 HB2 GLU 51 HB2 GLU 51 -4.715 2.146 5.704 398 HB3 GLU 51 HB1 GLU 51 -3.045 2.133 6.245 399 HG2 GLU 51 HG2 GLU 51 -4.310 4.066 4.285 400 HG3 GLU 51 HG1 GLU 51 -3.826 4.424 5.934 401 H CYS 52 HN CYS 52 -1.504 2.050 2.615 402 HA CYS 52 HA CYS 52 0.515 0.218 3.658 403 HB2 CYS 52 HB2 CYS 52 0.038 0.257 1.186 404 HB3 CYS 52 HB1 CYS 52 0.649 1.911 1.140 405 HG CYS 52 HG CYS 52 2.375 -0.971 1.725 406 H ARG 53 HN ARG 53 1.414 1.132 5.383 407 HA ARG 53 HA ARG 53 1.598 3.913 5.920 408 HB2 ARG 53 HB2 ARG 53 3.308 1.786 7.275 409 HB3 ARG 53 HB1 ARG 53 2.687 3.278 7.974 410 HG2 ARG 53 HG2 ARG 53 1.035 0.869 7.189 411 HG3 ARG 53 HG1 ARG 53 1.545 1.262 8.826 412 HD2 ARG 53 HD2 ARG 53 -0.218 3.067 7.138 413 HD3 ARG 53 HD1 ARG 53 -0.838 1.850 8.256 414 HE ARG 53 HE ARG 53 0.515 3.110 10.007 415 HH11 ARG 53 HH11 ARG 53 -1.196 6.208 8.098 416 HH12 ARG 53 HH12 ARG 53 -1.005 4.702 7.272 417 HH21 ARG 53 HH21 ARG 53 -0.465 6.435 10.284 418 HH22 ARG 53 HH22 ARG 53 0.272 5.087 11.096 419 H GLU 54 HN GLU 54 3.643 1.659 4.293 420 HA GLU 54 HA GLU 54 6.167 2.970 4.514 421 HB2 GLU 54 HB2 GLU 54 5.497 1.077 2.239 422 HB3 GLU 54 HB1 GLU 54 7.009 1.271 3.108 423 HG2 GLU 54 HG2 GLU 54 4.514 -0.143 4.036 424 HG3 GLU 54 HG1 GLU 54 6.077 -0.860 3.667 425 H LEU 55 HN LEU 55 3.418 3.336 2.472 426 HA LEU 55 HA LEU 55 4.869 5.009 0.532 427 HB2 LEU 55 HB2 LEU 55 3.753 2.908 -0.353 428 HB3 LEU 55 HB1 LEU 55 2.205 3.557 0.125 429 HG LEU 55 HG LEU 55 2.879 3.758 -2.370 430 HD11 LEU 55 HD11 LEU 55 1.818 5.926 -2.704 431 HD12 LEU 55 HD12 LEU 55 2.011 6.313 -0.992 432 HD13 LEU 55 HD13 LEU 55 0.962 4.983 -1.485 433 HD21 LEU 55 HD21 LEU 55 4.302 5.646 -3.015 434 HD22 LEU 55 HD22 LEU 55 5.201 4.506 -2.015 435 HD23 LEU 55 HD23 LEU 55 4.618 6.020 -1.318 436 H ARG 56 HN ARG 56 4.685 6.954 1.377 437 HA ARG 56 HA ARG 56 2.113 8.121 2.128 438 HB2 ARG 56 HB2 ARG 56 4.884 9.377 1.981 439 HB3 ARG 56 HB1 ARG 56 3.433 10.133 2.643 440 HG2 ARG 56 HG2 ARG 56 3.323 8.333 4.371 441 HG3 ARG 56 HG1 ARG 56 4.854 7.696 3.756 442 HD2 ARG 56 HD2 ARG 56 5.950 9.842 4.278 443 HD3 ARG 56 HD1 ARG 56 4.413 10.470 4.886 444 HE ARG 56 HE ARG 56 4.804 8.228 6.377 445 HH11 ARG 56 HH11 ARG 56 7.633 10.967 7.289 446 HH12 ARG 56 HH12 ARG 56 6.829 11.047 5.754 447 HH21 ARG 56 HH21 ARG 56 5.845 8.147 8.400 448 HH22 ARG 56 HH22 ARG 56 7.071 9.312 8.793 449 HA PRO 57 HA PRO 57 1.385 9.898 -2.078 450 HB2 PRO 57 HB2 PRO 57 0.163 12.151 -0.488 451 HB3 PRO 57 HB1 PRO 57 -0.519 11.214 -1.837 452 HG2 PRO 57 HG2 PRO 57 -1.365 10.733 0.621 453 HG3 PRO 57 HG1 PRO 57 -1.049 9.366 -0.477 454 HD2 PRO 57 HD2 PRO 57 0.679 10.431 1.764 455 HD3 PRO 57 HD1 PRO 57 0.284 8.743 1.347 456 H ASP 58 HN ASP 58 3.362 11.222 0.330 457 HA ASP 58 HA ASP 58 4.198 13.712 -0.676 458 HB2 ASP 58 HB2 ASP 58 4.606 12.916 1.632 459 HB3 ASP 58 HB1 ASP 58 5.688 11.666 1.033 460 H VAL 59 HN VAL 59 5.058 10.443 -1.465 461 HA VAL 59 HA VAL 59 7.442 10.712 -2.900 462 HB VAL 59 HB VAL 59 5.120 8.774 -3.249 463 HG11 VAL 59 HG11 VAL 59 7.965 8.431 -4.265 464 HG12 VAL 59 HG12 VAL 59 6.527 8.642 -5.264 465 HG13 VAL 59 HG13 VAL 59 6.716 7.182 -4.291 466 HG21 VAL 59 HG21 VAL 59 6.059 8.744 -0.993 467 HG22 VAL 59 HG22 VAL 59 7.678 8.482 -1.650 468 HG23 VAL 59 HG23 VAL 59 6.436 7.239 -1.837 469 H PHE 60 HN PHE 60 4.209 11.642 -3.783 470 HA PHE 60 HA PHE 60 4.715 11.836 -6.638 471 HB2 PHE 60 HB2 PHE 60 2.362 12.653 -4.896 472 HB3 PHE 60 HB1 PHE 60 2.398 12.853 -6.647 473 HD1 PHE 60 HD1 PHE 60 2.062 10.992 -8.126 474 HD2 PHE 60 HD2 PHE 60 2.393 10.320 -3.912 475 HE1 PHE 60 HE1 PHE 60 1.339 8.673 -8.425 476 HE2 PHE 60 HE2 PHE 60 1.652 8.001 -4.228 477 HZ PHE 60 HZ PHE 60 1.136 7.176 -6.491 478 H GLY 61 HN GLY 61 4.656 14.005 -3.845 479 HA2 GLY 61 HA2 GLY 61 5.207 16.397 -5.460 480 HA3 GLY 61 HA1 GLY 61 5.078 16.304 -3.703 481 H ALA 62 HN ALA 62 7.084 14.749 -6.203 482 HA ALA 62 HA ALA 62 9.528 15.222 -4.626 483 HB1 ALA 62 HB1 ALA 62 8.555 12.513 -5.617 484 HB2 ALA 62 HB2 ALA 62 8.592 13.035 -3.935 485 HB3 ALA 62 HB3 ALA 62 10.107 12.821 -4.824 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -5.346 -3.770 12.900 2 H2 MET 1 HT2 MET 1 -6.875 -4.400 12.555 3 H3 MET 1 HT3 MET 1 -6.589 -2.750 12.392 4 HA MET 1 HA MET 1 -6.673 -3.849 10.261 5 HB2 MET 1 HB2 MET 1 -4.575 -2.947 9.336 6 HB3 MET 1 HB1 MET 1 -5.266 -1.831 10.505 7 HG2 MET 1 HG2 MET 1 -3.012 -3.741 11.163 8 HG3 MET 1 HG1 MET 1 -2.766 -2.086 10.615 9 HE1 MET 1 HE1 MET 1 -3.099 0.034 12.063 10 HE2 MET 1 HE2 MET 1 -3.997 0.070 13.579 11 HE3 MET 1 HE3 MET 1 -4.836 -0.283 12.068 12 H LYS 2 HN LYS 2 -5.516 -5.269 8.736 13 HA LYS 2 HA LYS 2 -4.349 -7.671 10.028 14 HB2 LYS 2 HB2 LYS 2 -6.292 -7.573 7.671 15 HB3 LYS 2 HB1 LYS 2 -5.535 -9.031 8.312 16 HG2 LYS 2 HG2 LYS 2 -6.714 -8.615 10.498 17 HG3 LYS 2 HG1 LYS 2 -7.535 -7.248 9.738 18 HD2 LYS 2 HD2 LYS 2 -8.980 -9.232 9.751 19 HD3 LYS 2 HD1 LYS 2 -8.573 -8.769 8.096 20 HE2 LYS 2 HE2 LYS 2 -8.466 -11.199 8.373 21 HE3 LYS 2 HE1 LYS 2 -6.861 -10.560 8.029 22 HZ1 LYS 2 HZ1 LYS 2 -6.372 -10.688 10.416 23 HZ2 LYS 2 HZ2 LYS 2 -6.782 -12.199 9.785 24 HZ3 LYS 2 HZ3 LYS 2 -7.905 -11.338 10.701 25 H LYS 3 HN LYS 3 -2.704 -8.683 8.909 26 HA LYS 3 HA LYS 3 -1.221 -6.932 7.117 27 HB2 LYS 3 HB2 LYS 3 -0.398 -9.517 8.520 28 HB3 LYS 3 HB1 LYS 3 0.679 -8.477 7.586 29 HG2 LYS 3 HG2 LYS 3 0.267 -6.629 9.189 30 HG3 LYS 3 HG1 LYS 3 -0.772 -7.698 10.140 31 HD2 LYS 3 HD2 LYS 3 1.169 -9.192 10.562 32 HD3 LYS 3 HD1 LYS 3 2.201 -8.118 9.611 33 HE2 LYS 3 HE2 LYS 3 1.729 -6.285 11.229 34 HE3 LYS 3 HE1 LYS 3 0.774 -7.412 12.197 35 HZ1 LYS 3 HZ1 LYS 3 2.781 -8.768 12.472 36 HZ2 LYS 3 HZ2 LYS 3 2.985 -7.210 13.087 37 HZ3 LYS 3 HZ3 LYS 3 3.679 -7.629 11.605 38 H ILE 4 HN ILE 4 -1.897 -7.130 5.048 39 HA ILE 4 HA ILE 4 -1.645 -9.801 3.765 40 HB ILE 4 HB ILE 4 -2.888 -7.316 2.524 41 HG12 ILE 4 HG12 ILE 4 -4.258 -9.695 3.838 42 HG13 ILE 4 HG11 ILE 4 -4.382 -7.998 4.310 43 HG21 ILE 4 HG21 ILE 4 -1.945 -8.882 0.864 44 HG22 ILE 4 HG22 ILE 4 -3.702 -8.780 0.736 45 HG23 ILE 4 HG23 ILE 4 -2.952 -10.176 1.519 46 HD11 ILE 4 HD11 ILE 4 -5.426 -9.237 1.778 47 HD12 ILE 4 HD12 ILE 4 -5.502 -7.517 2.183 48 HD13 ILE 4 HD13 ILE 4 -6.362 -8.697 3.169 49 HA PRO 5 HA PRO 5 2.147 -8.032 1.932 50 HB2 PRO 5 HB2 PRO 5 2.039 -10.313 0.014 51 HB3 PRO 5 HB1 PRO 5 3.258 -9.968 1.255 52 HG2 PRO 5 HG2 PRO 5 1.562 -12.054 1.490 53 HG3 PRO 5 HG1 PRO 5 2.121 -11.136 2.911 54 HD2 PRO 5 HD2 PRO 5 -0.504 -10.854 1.417 55 HD3 PRO 5 HD1 PRO 5 -0.232 -10.943 3.170 56 H LEU 6 HN LEU 6 2.403 -6.643 0.188 57 HA LEU 6 HA LEU 6 0.247 -5.469 -1.043 58 HB2 LEU 6 HB2 LEU 6 2.432 -4.384 -0.884 59 HB3 LEU 6 HB1 LEU 6 3.140 -5.564 -1.970 60 HG LEU 6 HG LEU 6 1.753 -4.641 -3.848 61 HD11 LEU 6 HD11 LEU 6 -0.134 -3.760 -2.570 62 HD12 LEU 6 HD12 LEU 6 0.579 -2.512 -3.590 63 HD13 LEU 6 HD13 LEU 6 0.908 -2.525 -1.854 64 HD21 LEU 6 HD21 LEU 6 3.033 -2.572 -4.135 65 HD22 LEU 6 HD22 LEU 6 4.051 -3.858 -3.494 66 HD23 LEU 6 HD23 LEU 6 3.466 -2.584 -2.424 67 H SER 7 HN SER 7 2.525 -7.747 -2.558 68 HA SER 7 HA SER 7 1.387 -7.907 -5.091 69 HB2 SER 7 HB2 SER 7 2.941 -10.067 -3.601 70 HB3 SER 7 HB1 SER 7 2.740 -9.950 -5.357 71 HG SER 7 HG SER 7 3.682 -7.686 -4.882 72 H LYS 8 HN LYS 8 0.760 -9.853 -2.175 73 HA LYS 8 HA LYS 8 -0.897 -11.806 -3.442 74 HB2 LYS 8 HB2 LYS 8 -0.238 -11.167 -0.553 75 HB3 LYS 8 HB1 LYS 8 -1.553 -12.277 -0.913 76 HG2 LYS 8 HG2 LYS 8 0.468 -13.539 -0.472 77 HG3 LYS 8 HG1 LYS 8 -0.003 -13.730 -2.162 78 HD2 LYS 8 HD2 LYS 8 1.717 -11.924 -2.722 79 HD3 LYS 8 HD1 LYS 8 2.273 -12.049 -1.050 80 HE2 LYS 8 HE2 LYS 8 3.687 -13.402 -2.514 81 HE3 LYS 8 HE1 LYS 8 2.779 -14.459 -1.430 82 HZ1 LYS 8 HZ1 LYS 8 2.035 -13.860 -4.248 83 HZ2 LYS 8 HZ2 LYS 8 1.236 -14.931 -3.217 84 HZ3 LYS 8 HZ3 LYS 8 2.811 -15.266 -3.728 85 H TYR 9 HN TYR 9 -1.551 -8.716 -1.912 86 HA TYR 9 HA TYR 9 -4.397 -8.929 -1.855 87 HB2 TYR 9 HB2 TYR 9 -3.172 -7.170 -0.566 88 HB3 TYR 9 HB1 TYR 9 -2.671 -6.409 -2.068 89 HD1 TYR 9 HD1 TYR 9 -5.585 -7.125 0.130 90 HD2 TYR 9 HD2 TYR 9 -4.219 -4.980 -3.325 91 HE1 TYR 9 HE1 TYR 9 -7.662 -5.843 0.101 92 HE2 TYR 9 HE2 TYR 9 -6.316 -3.697 -3.345 93 HH TYR 9 HH TYR 9 -8.606 -3.885 -2.538 94 H LEU 10 HN LEU 10 -2.035 -7.723 -4.201 95 HA LEU 10 HA LEU 10 -3.902 -6.839 -6.173 96 HB2 LEU 10 HB2 LEU 10 -0.956 -7.533 -6.489 97 HB3 LEU 10 HB1 LEU 10 -1.910 -6.559 -7.599 98 HG LEU 10 HG LEU 10 -1.219 -5.779 -4.741 99 HD11 LEU 10 HD11 LEU 10 0.772 -5.763 -6.139 100 HD12 LEU 10 HD12 LEU 10 0.299 -4.126 -5.693 101 HD13 LEU 10 HD13 LEU 10 -0.039 -4.728 -7.319 102 HD21 LEU 10 HD21 LEU 10 -2.624 -4.178 -6.883 103 HD22 LEU 10 HD22 LEU 10 -2.074 -3.552 -5.328 104 HD23 LEU 10 HD23 LEU 10 -3.327 -4.791 -5.380 105 H GLU 11 HN GLU 11 -2.578 -9.940 -5.388 106 HA GLU 11 HA GLU 11 -3.097 -11.237 -7.950 107 HB2 GLU 11 HB2 GLU 11 -2.249 -12.298 -5.219 108 HB3 GLU 11 HB1 GLU 11 -2.531 -13.352 -6.599 109 HG2 GLU 11 HG2 GLU 11 -0.695 -12.416 -7.823 110 HG3 GLU 11 HG1 GLU 11 -0.499 -11.104 -6.662 111 H GLU 12 HN GLU 12 -4.679 -10.959 -4.781 112 HA GLU 12 HA GLU 12 -6.606 -13.076 -5.548 113 HB2 GLU 12 HB2 GLU 12 -5.105 -13.662 -3.682 114 HB3 GLU 12 HB1 GLU 12 -5.663 -12.263 -2.775 115 HG2 GLU 12 HG2 GLU 12 -7.928 -13.232 -2.651 116 HG3 GLU 12 HG1 GLU 12 -7.397 -14.623 -3.596 117 H HIS 13 HN HIS 13 -6.368 -9.962 -3.788 118 HA HIS 13 HA HIS 13 -9.236 -10.061 -3.160 119 HB2 HIS 13 HB2 HIS 13 -7.061 -8.150 -2.226 120 HB3 HIS 13 HB1 HIS 13 -8.731 -8.107 -1.677 121 HD1 HIS 13 HD1 HIS 13 -9.244 -9.449 0.348 122 HD2 HIS 13 HD2 HIS 13 -5.710 -10.645 -1.460 123 HE1 HIS 13 HE1 HIS 13 -8.255 -11.172 1.878 124 HE2 HIS 13 HE2 HIS 13 -6.251 -12.036 0.631 125 H GLY 14 HN GLY 14 -6.954 -7.862 -4.836 126 HA2 GLY 14 HA2 GLY 14 -9.119 -6.626 -6.352 127 HA3 GLY 14 HA1 GLY 14 -8.333 -5.572 -5.181 128 H THR 15 HN THR 15 -8.225 -4.742 -7.675 129 HA THR 15 HA THR 15 -5.644 -5.401 -8.871 130 HB THR 15 HB THR 15 -6.426 -3.273 -10.349 131 HG1 THR 15 HG1 THR 15 -8.883 -3.608 -10.467 132 HG21 THR 15 HG21 THR 15 -7.708 -6.006 -10.639 133 HG22 THR 15 HG22 THR 15 -6.133 -5.519 -11.268 134 HG23 THR 15 HG23 THR 15 -7.601 -4.770 -11.897 135 H GLN 16 HN GLN 16 -4.263 -3.438 -9.533 136 HA GLN 16 HA GLN 16 -3.556 -1.849 -7.257 137 HB2 GLN 16 HB2 GLN 16 -2.645 -1.410 -10.136 138 HB3 GLN 16 HB1 GLN 16 -1.852 -0.850 -8.663 139 HG2 GLN 16 HG2 GLN 16 -1.621 -3.352 -8.062 140 HG3 GLN 16 HG1 GLN 16 -2.023 -3.668 -9.744 141 HE21 GLN 16 HE21 GLN 16 0.331 -2.371 -7.545 142 HE22 GLN 16 HE22 GLN 16 1.640 -2.312 -8.655 143 H SER 17 HN SER 17 -5.624 -1.465 -9.999 144 HA SER 17 HA SER 17 -6.140 1.336 -9.810 145 HB2 SER 17 HB2 SER 17 -6.602 -0.147 -11.829 146 HB3 SER 17 HB1 SER 17 -7.972 -0.818 -10.944 147 HG SER 17 HG SER 17 -8.674 0.842 -12.268 148 H ALA 18 HN ALA 18 -7.858 -1.603 -8.678 149 HA ALA 18 HA ALA 18 -9.960 -0.406 -7.271 150 HB1 ALA 18 HB1 ALA 18 -10.136 -2.529 -6.061 151 HB2 ALA 18 HB2 ALA 18 -8.511 -2.989 -6.583 152 HB3 ALA 18 HB3 ALA 18 -9.815 -2.838 -7.770 153 H LEU 19 HN LEU 19 -6.672 -1.232 -6.328 154 HA LEU 19 HA LEU 19 -6.916 -0.733 -3.558 155 HB2 LEU 19 HB2 LEU 19 -5.123 -2.153 -4.456 156 HB3 LEU 19 HB1 LEU 19 -4.458 -0.799 -5.351 157 HG LEU 19 HG LEU 19 -3.839 0.316 -3.203 158 HD11 LEU 19 HD11 LEU 19 -5.552 -0.608 -1.730 159 HD12 LEU 19 HD12 LEU 19 -3.939 -0.878 -1.077 160 HD13 LEU 19 HD13 LEU 19 -4.813 -2.209 -1.840 161 HD21 LEU 19 HD21 LEU 19 -2.185 -1.067 -4.355 162 HD22 LEU 19 HD22 LEU 19 -2.737 -2.497 -3.478 163 HD23 LEU 19 HD23 LEU 19 -1.977 -1.163 -2.606 164 H ALA 20 HN ALA 20 -5.435 1.160 -6.208 165 HA ALA 20 HA ALA 20 -4.777 3.495 -4.807 166 HB1 ALA 20 HB1 ALA 20 -4.653 4.567 -7.010 167 HB2 ALA 20 HB2 ALA 20 -5.560 3.237 -7.738 168 HB3 ALA 20 HB3 ALA 20 -3.949 2.952 -7.072 169 H ALA 21 HN ALA 21 -7.793 2.618 -6.470 170 HA ALA 21 HA ALA 21 -9.119 5.117 -6.148 171 HB1 ALA 21 HB1 ALA 21 -11.117 3.912 -6.885 172 HB2 ALA 21 HB2 ALA 21 -10.314 2.361 -6.602 173 HB3 ALA 21 HB3 ALA 21 -9.725 3.442 -7.866 174 H ALA 22 HN ALA 22 -8.896 2.207 -4.159 175 HA ALA 22 HA ALA 22 -10.908 2.937 -2.231 176 HB1 ALA 22 HB1 ALA 22 -10.071 1.028 -0.932 177 HB2 ALA 22 HB2 ALA 22 -8.656 0.904 -1.985 178 HB3 ALA 22 HB3 ALA 22 -10.270 0.581 -2.628 179 H LEU 23 HN LEU 23 -7.486 3.542 -2.607 180 HA LEU 23 HA LEU 23 -7.151 4.686 0.068 181 HB2 LEU 23 HB2 LEU 23 -5.209 4.629 -2.280 182 HB3 LEU 23 HB1 LEU 23 -4.818 5.065 -0.625 183 HG LEU 23 HG LEU 23 -5.564 2.297 -1.638 184 HD11 LEU 23 HD11 LEU 23 -2.926 3.348 -0.583 185 HD12 LEU 23 HD12 LEU 23 -3.308 2.946 -2.259 186 HD13 LEU 23 HD13 LEU 23 -3.270 1.675 -1.041 187 HD21 LEU 23 HD21 LEU 23 -6.492 2.558 0.585 188 HD22 LEU 23 HD22 LEU 23 -4.938 3.132 1.207 189 HD23 LEU 23 HD23 LEU 23 -5.105 1.471 0.635 190 H GLY 24 HN GLY 24 -8.108 5.713 -3.069 191 HA2 GLY 24 HA2 GLY 24 -8.753 7.768 -3.883 192 HA3 GLY 24 HA1 GLY 24 -8.298 8.513 -2.359 193 H VAL 25 HN VAL 25 -5.932 6.547 -3.861 194 HA VAL 25 HA VAL 25 -4.287 8.893 -4.577 195 HB VAL 25 HB VAL 25 -2.328 7.555 -4.156 196 HG11 VAL 25 HG11 VAL 25 -4.367 7.060 -1.960 197 HG12 VAL 25 HG12 VAL 25 -3.345 8.493 -2.152 198 HG13 VAL 25 HG13 VAL 25 -2.616 6.935 -1.772 199 HG21 VAL 25 HG21 VAL 25 -2.981 5.410 -5.118 200 HG22 VAL 25 HG22 VAL 25 -4.130 5.129 -3.811 201 HG23 VAL 25 HG23 VAL 25 -2.396 5.160 -3.470 202 H ASN 26 HN ASN 26 -2.608 8.334 -6.332 203 HA ASN 26 HA ASN 26 -3.973 7.323 -8.713 204 HB2 ASN 26 HB2 ASN 26 -2.724 9.498 -8.787 205 HB3 ASN 26 HB1 ASN 26 -1.232 8.642 -8.414 206 HD21 ASN 26 HD21 ASN 26 -0.346 9.475 -10.372 207 HD22 ASN 26 HD22 ASN 26 -0.763 8.810 -11.910 208 H GLN 27 HN GLN 27 -3.130 5.605 -10.007 209 HA GLN 27 HA GLN 27 -2.031 3.382 -8.643 210 HB2 GLN 27 HB2 GLN 27 -2.264 3.877 -11.644 211 HB3 GLN 27 HB1 GLN 27 -1.734 2.351 -10.946 212 HG2 GLN 27 HG2 GLN 27 -3.938 2.181 -9.780 213 HG3 GLN 27 HG1 GLN 27 -4.468 3.619 -10.660 214 HE21 GLN 27 HE21 GLN 27 -4.850 3.448 -12.904 215 HE22 GLN 27 HE22 GLN 27 -4.973 1.926 -13.711 216 H SER 28 HN SER 28 -0.501 5.989 -10.405 217 HA SER 28 HA SER 28 2.037 4.925 -10.889 218 HB2 SER 28 HB2 SER 28 1.284 7.099 -11.805 219 HB3 SER 28 HB1 SER 28 1.296 7.801 -10.188 220 HG SER 28 HG SER 28 3.242 8.352 -10.858 221 H ALA 29 HN ALA 29 0.730 6.526 -7.966 222 HA ALA 29 HA ALA 29 3.017 6.441 -6.314 223 HB1 ALA 29 HB1 ALA 29 0.094 6.219 -5.524 224 HB2 ALA 29 HB2 ALA 29 0.983 7.723 -5.769 225 HB3 ALA 29 HB3 ALA 29 1.435 6.644 -4.449 226 H ILE 30 HN ILE 30 0.429 4.021 -6.756 227 HA ILE 30 HA ILE 30 1.372 2.065 -4.961 228 HB ILE 30 HB ILE 30 -0.147 1.589 -7.584 229 HG12 ILE 30 HG12 ILE 30 -1.366 3.230 -6.223 230 HG13 ILE 30 HG11 ILE 30 -2.239 1.706 -6.234 231 HG21 ILE 30 HG21 ILE 30 0.007 -0.161 -5.100 232 HG22 ILE 30 HG22 ILE 30 0.734 -0.505 -6.673 233 HG23 ILE 30 HG23 ILE 30 -1.021 -0.460 -6.507 234 HD11 ILE 30 HD11 ILE 30 -0.559 2.794 -3.976 235 HD12 ILE 30 HD12 ILE 30 -1.379 1.228 -3.973 236 HD13 ILE 30 HD13 ILE 30 -2.317 2.717 -4.063 237 H SER 31 HN SER 31 2.126 2.684 -8.383 238 HA SER 31 HA SER 31 3.691 0.343 -8.892 239 HB2 SER 31 HB2 SER 31 3.600 3.023 -10.363 240 HB3 SER 31 HB1 SER 31 4.353 1.549 -10.975 241 HG SER 31 HG SER 31 1.620 1.844 -10.291 242 H GLN 32 HN GLN 32 4.508 3.631 -7.765 243 HA GLN 32 HA GLN 32 7.361 3.387 -7.968 244 HB2 GLN 32 HB2 GLN 32 5.655 5.202 -6.198 245 HB3 GLN 32 HB1 GLN 32 7.395 5.364 -6.398 246 HG2 GLN 32 HG2 GLN 32 5.415 5.608 -8.675 247 HG3 GLN 32 HG1 GLN 32 5.994 6.978 -7.735 248 HE21 GLN 32 HE21 GLN 32 6.266 6.317 -10.626 249 HE22 GLN 32 HE22 GLN 32 7.964 6.389 -10.939 250 H MET 33 HN MET 33 4.969 2.684 -5.495 251 HA MET 33 HA MET 33 6.686 2.011 -3.321 252 HB2 MET 33 HB2 MET 33 3.818 1.214 -3.910 253 HB3 MET 33 HB1 MET 33 4.627 1.016 -2.362 254 HG2 MET 33 HG2 MET 33 4.850 3.796 -3.193 255 HG3 MET 33 HG1 MET 33 3.170 3.295 -3.277 256 HE1 MET 33 HE1 MET 33 3.348 0.982 -0.941 257 HE2 MET 33 HE2 MET 33 1.964 2.039 -1.263 258 HE3 MET 33 HE3 MET 33 2.629 1.926 0.372 259 H VAL 34 HN VAL 34 5.245 0.181 -5.962 260 HA VAL 34 HA VAL 34 6.159 -2.440 -5.273 261 HB VAL 34 HB VAL 34 5.241 -1.175 -7.903 262 HG11 VAL 34 HG11 VAL 34 5.874 -4.117 -7.477 263 HG12 VAL 34 HG12 VAL 34 6.782 -2.996 -8.494 264 HG13 VAL 34 HG13 VAL 34 5.120 -3.414 -8.914 265 HG21 VAL 34 HG21 VAL 34 3.859 -3.189 -6.093 266 HG22 VAL 34 HG22 VAL 34 3.197 -2.524 -7.589 267 HG23 VAL 34 HG23 VAL 34 3.480 -1.470 -6.202 268 H ARG 35 HN ARG 35 7.410 0.155 -7.369 269 HA ARG 35 HA ARG 35 9.661 -1.373 -8.344 270 HB2 ARG 35 HB2 ARG 35 8.799 1.507 -8.810 271 HB3 ARG 35 HB1 ARG 35 10.264 0.821 -9.511 272 HG2 ARG 35 HG2 ARG 35 8.819 -0.930 -10.629 273 HG3 ARG 35 HG1 ARG 35 7.402 -0.039 -10.060 274 HD2 ARG 35 HD2 ARG 35 7.973 0.534 -12.398 275 HD3 ARG 35 HD1 ARG 35 8.104 1.936 -11.333 276 HE ARG 35 HE ARG 35 10.577 1.423 -11.293 277 HH11 ARG 35 HH11 ARG 35 10.015 0.627 -15.200 278 HH12 ARG 35 HH12 ARG 35 8.660 0.546 -14.122 279 HH21 ARG 35 HH21 ARG 35 12.319 1.516 -12.709 280 HH22 ARG 35 HH22 ARG 35 12.092 1.174 -14.391 281 H ALA 36 HN ALA 36 9.149 0.529 -5.577 282 HA ALA 36 HA ALA 36 11.750 1.498 -5.032 283 HB1 ALA 36 HB1 ALA 36 9.761 2.195 -3.745 284 HB2 ALA 36 HB2 ALA 36 11.005 1.557 -2.667 285 HB3 ALA 36 HB3 ALA 36 9.602 0.566 -3.083 286 H GLY 37 HN GLY 37 10.501 -1.695 -5.197 287 HA2 GLY 37 HA2 GLY 37 11.550 -3.739 -4.956 288 HA3 GLY 37 HA1 GLY 37 12.966 -2.938 -4.288 289 H ARG 38 HN ARG 38 10.229 -1.818 -2.746 290 HA ARG 38 HA ARG 38 10.795 -3.460 -0.374 291 HB2 ARG 38 HB2 ARG 38 10.956 -0.882 -0.310 292 HB3 ARG 38 HB1 ARG 38 9.210 -0.850 -0.501 293 HG2 ARG 38 HG2 ARG 38 9.530 -0.607 1.825 294 HG3 ARG 38 HG1 ARG 38 9.115 -2.311 1.643 295 HD2 ARG 38 HD2 ARG 38 11.916 -1.174 1.990 296 HD3 ARG 38 HD1 ARG 38 10.968 -1.990 3.232 297 HE ARG 38 HE ARG 38 11.076 -3.913 1.408 298 HH11 ARG 38 HH11 ARG 38 14.922 -3.086 2.296 299 HH12 ARG 38 HH12 ARG 38 13.714 -1.880 2.597 300 HH21 ARG 38 HH21 ARG 38 12.688 -5.452 0.993 301 HH22 ARG 38 HH22 ARG 38 14.341 -5.101 1.393 302 H CYS 39 HN CYS 39 9.370 -5.036 0.097 303 HA CYS 39 HA CYS 39 6.773 -5.324 -1.051 304 HB2 CYS 39 HB2 CYS 39 8.003 -7.305 -0.284 305 HB3 CYS 39 HB1 CYS 39 8.066 -6.677 1.360 306 HG CYS 39 HG CYS 39 5.376 -6.993 1.893 307 H ILE 40 HN ILE 40 4.948 -4.287 -0.423 308 HA ILE 40 HA ILE 40 4.991 -2.634 2.022 309 HB ILE 40 HB ILE 40 3.095 -2.507 -0.384 310 HG12 ILE 40 HG12 ILE 40 5.415 -1.869 -1.007 311 HG13 ILE 40 HG11 ILE 40 4.318 -0.500 -1.102 312 HG21 ILE 40 HG21 ILE 40 2.007 -1.711 1.655 313 HG22 ILE 40 HG22 ILE 40 2.298 -0.382 0.535 314 HG23 ILE 40 HG23 ILE 40 3.339 -0.589 1.944 315 HD11 ILE 40 HD11 ILE 40 6.453 0.142 -0.199 316 HD12 ILE 40 HD12 ILE 40 6.302 -1.047 1.093 317 HD13 ILE 40 HD13 ILE 40 5.198 0.334 1.028 318 H ASP 41 HN ASP 41 3.352 -2.788 3.532 319 HA ASP 41 HA ASP 41 1.814 -5.288 3.632 320 HB2 ASP 41 HB2 ASP 41 3.293 -4.750 5.555 321 HB3 ASP 41 HB1 ASP 41 2.448 -3.220 5.790 322 H ILE 42 HN ILE 42 -0.156 -5.079 2.795 323 HA ILE 42 HA ILE 42 -1.690 -2.617 2.838 324 HB ILE 42 HB ILE 42 -2.374 -5.402 1.779 325 HG12 ILE 42 HG12 ILE 42 -0.610 -4.265 0.478 326 HG13 ILE 42 HG11 ILE 42 -2.091 -4.355 -0.468 327 HG21 ILE 42 HG21 ILE 42 -4.459 -4.290 2.428 328 HG22 ILE 42 HG22 ILE 42 -4.334 -4.357 0.669 329 HG23 ILE 42 HG23 ILE 42 -4.005 -2.845 1.519 330 HD11 ILE 42 HD11 ILE 42 -2.551 -1.990 0.058 331 HD12 ILE 42 HD12 ILE 42 -1.005 -2.218 -0.756 332 HD13 ILE 42 HD13 ILE 42 -1.042 -1.916 0.979 333 H GLU 43 HN GLU 43 -2.527 -2.067 4.695 334 HA GLU 43 HA GLU 43 -3.322 -3.890 6.767 335 HB2 GLU 43 HB2 GLU 43 -3.630 -0.872 6.506 336 HB3 GLU 43 HB1 GLU 43 -3.978 -1.792 7.969 337 HG2 GLU 43 HG2 GLU 43 -1.640 -2.466 8.155 338 HG3 GLU 43 HG1 GLU 43 -1.256 -1.680 6.626 339 H LEU 44 HN LEU 44 -5.000 -5.128 6.114 340 HA LEU 44 HA LEU 44 -7.419 -4.041 4.923 341 HB2 LEU 44 HB2 LEU 44 -6.477 -6.251 4.206 342 HB3 LEU 44 HB1 LEU 44 -6.771 -6.883 5.818 343 HG LEU 44 HG LEU 44 -9.245 -6.503 5.475 344 HD11 LEU 44 HD11 LEU 44 -9.134 -4.711 3.837 345 HD12 LEU 44 HD12 LEU 44 -10.099 -6.053 3.231 346 HD13 LEU 44 HD13 LEU 44 -8.451 -5.815 2.638 347 HD21 LEU 44 HD21 LEU 44 -8.258 -8.727 5.024 348 HD22 LEU 44 HD22 LEU 44 -8.029 -8.268 3.331 349 HD23 LEU 44 HD23 LEU 44 -9.658 -8.384 4.009 350 H TYR 45 HN TYR 45 -9.375 -3.890 5.959 351 HA TYR 45 HA TYR 45 -9.444 -4.124 8.903 352 HB2 TYR 45 HB2 TYR 45 -11.074 -2.432 6.947 353 HB3 TYR 45 HB1 TYR 45 -11.414 -2.529 8.672 354 HD1 TYR 45 HD1 TYR 45 -10.327 -0.997 10.163 355 HD2 TYR 45 HD2 TYR 45 -8.636 -1.631 6.289 356 HE1 TYR 45 HE1 TYR 45 -8.670 0.780 10.581 357 HE2 TYR 45 HE2 TYR 45 -6.991 0.141 6.704 358 HH TYR 45 HH TYR 45 -6.659 2.092 8.113 359 H THR 46 HN THR 46 -11.733 -4.697 9.715 360 HA THR 46 HA THR 46 -12.162 -7.389 8.975 361 HB THR 46 HB THR 46 -14.066 -7.330 10.609 362 HG1 THR 46 HG1 THR 46 -14.803 -5.477 11.391 363 HG21 THR 46 HG21 THR 46 -11.754 -7.667 11.455 364 HG22 THR 46 HG22 THR 46 -12.742 -6.781 12.615 365 HG23 THR 46 HG23 THR 46 -11.561 -5.919 11.627 366 H ASP 47 HN ASP 47 -13.717 -4.460 7.900 367 HA ASP 47 HA ASP 47 -16.056 -5.793 6.764 368 HB2 ASP 47 HB2 ASP 47 -16.858 -3.571 6.239 369 HB3 ASP 47 HB1 ASP 47 -16.238 -3.564 7.883 370 H GLY 48 HN GLY 48 -12.905 -5.333 5.755 371 HA2 GLY 48 HA2 GLY 48 -12.048 -6.162 3.720 372 HA3 GLY 48 HA1 GLY 48 -13.592 -5.870 2.938 373 H ARG 49 HN ARG 49 -12.563 -3.267 4.847 374 HA ARG 49 HA ARG 49 -11.976 -1.582 2.546 375 HB2 ARG 49 HB2 ARG 49 -13.384 -0.954 4.611 376 HB3 ARG 49 HB1 ARG 49 -11.872 -0.842 5.501 377 HG2 ARG 49 HG2 ARG 49 -11.133 0.975 3.968 378 HG3 ARG 49 HG1 ARG 49 -12.668 0.844 3.099 379 HD2 ARG 49 HD2 ARG 49 -12.210 1.766 5.951 380 HD3 ARG 49 HD1 ARG 49 -12.919 2.678 4.613 381 HE ARG 49 HE ARG 49 -14.472 0.363 5.165 382 HH11 ARG 49 HH11 ARG 49 -13.864 3.565 6.521 383 HH12 ARG 49 HH12 ARG 49 -15.401 3.627 7.328 384 HH21 ARG 49 HH21 ARG 49 -16.849 1.826 7.176 385 HH22 ARG 49 HH22 ARG 49 -16.400 0.420 6.259 386 H VAL 50 HN VAL 50 -9.921 -0.569 2.194 387 HA VAL 50 HA VAL 50 -7.670 -1.552 3.871 388 HB VAL 50 HB VAL 50 -6.190 -1.366 1.852 389 HG11 VAL 50 HG11 VAL 50 -7.073 -3.534 2.578 390 HG12 VAL 50 HG12 VAL 50 -6.891 -3.474 0.826 391 HG13 VAL 50 HG13 VAL 50 -8.495 -3.320 1.550 392 HG21 VAL 50 HG21 VAL 50 -7.178 -1.291 -0.414 393 HG22 VAL 50 HG22 VAL 50 -7.533 0.186 0.483 394 HG23 VAL 50 HG23 VAL 50 -8.783 -1.043 0.284 395 H GLU 51 HN GLU 51 -6.073 -0.175 4.377 396 HA GLU 51 HA GLU 51 -5.958 2.538 3.293 397 HB2 GLU 51 HB2 GLU 51 -7.363 2.529 5.426 398 HB3 GLU 51 HB1 GLU 51 -5.951 1.964 6.297 399 HG2 GLU 51 HG2 GLU 51 -5.962 4.576 4.777 400 HG3 GLU 51 HG1 GLU 51 -6.552 4.464 6.429 401 H CYS 52 HN CYS 52 -3.919 2.716 2.612 402 HA CYS 52 HA CYS 52 -1.793 1.050 3.764 403 HB2 CYS 52 HB2 CYS 52 -2.113 0.885 1.301 404 HB3 CYS 52 HB1 CYS 52 -1.780 2.608 1.148 405 HG CYS 52 HG CYS 52 0.821 2.493 1.294 406 H ARG 53 HN ARG 53 -1.095 2.129 5.516 407 HA ARG 53 HA ARG 53 -0.742 4.990 5.654 408 HB2 ARG 53 HB2 ARG 53 -1.401 3.281 7.491 409 HB3 ARG 53 HB1 ARG 53 0.316 2.928 7.614 410 HG2 ARG 53 HG2 ARG 53 0.791 5.131 8.432 411 HG3 ARG 53 HG1 ARG 53 -0.823 5.710 7.991 412 HD2 ARG 53 HD2 ARG 53 -0.151 3.675 10.147 413 HD3 ARG 53 HD1 ARG 53 -0.771 5.316 10.391 414 HE ARG 53 HE ARG 53 -2.557 3.898 8.734 415 HH11 ARG 53 HH11 ARG 53 -3.099 3.233 12.655 416 HH12 ARG 53 HH12 ARG 53 -1.580 3.870 12.119 417 HH21 ARG 53 HH21 ARG 53 -4.500 3.085 9.441 418 HH22 ARG 53 HH22 ARG 53 -4.764 2.785 11.130 419 H GLU 54 HN GLU 54 1.090 2.403 4.473 420 HA GLU 54 HA GLU 54 3.726 3.518 4.697 421 HB2 GLU 54 HB2 GLU 54 3.089 1.052 4.365 422 HB3 GLU 54 HB1 GLU 54 2.791 1.461 2.679 423 HG2 GLU 54 HG2 GLU 54 4.999 0.515 2.894 424 HG3 GLU 54 HG1 GLU 54 5.141 2.218 2.467 425 H LEU 55 HN LEU 55 1.010 4.028 2.636 426 HA LEU 55 HA LEU 55 2.395 5.027 0.334 427 HB2 LEU 55 HB2 LEU 55 0.070 3.945 0.318 428 HB3 LEU 55 HB1 LEU 55 -0.554 5.404 1.051 429 HG LEU 55 HG LEU 55 -1.020 5.281 -1.390 430 HD11 LEU 55 HD11 LEU 55 -0.319 7.499 -2.100 431 HD12 LEU 55 HD12 LEU 55 0.862 7.571 -0.788 432 HD13 LEU 55 HD13 LEU 55 -0.862 7.513 -0.422 433 HD21 LEU 55 HD21 LEU 55 0.759 5.475 -3.055 434 HD22 LEU 55 HD22 LEU 55 0.926 4.001 -2.104 435 HD23 LEU 55 HD23 LEU 55 1.982 5.380 -1.784 436 H ARG 56 HN ARG 56 3.728 6.610 1.135 437 HA ARG 56 HA ARG 56 2.819 9.013 2.380 438 HB2 ARG 56 HB2 ARG 56 5.252 8.523 0.613 439 HB3 ARG 56 HB1 ARG 56 4.967 10.006 1.515 440 HG2 ARG 56 HG2 ARG 56 5.405 7.249 2.706 441 HG3 ARG 56 HG1 ARG 56 6.582 8.564 2.657 442 HD2 ARG 56 HD2 ARG 56 3.964 8.514 4.195 443 HD3 ARG 56 HD1 ARG 56 5.598 8.466 4.865 444 HE ARG 56 HE ARG 56 5.631 10.785 3.493 445 HH11 ARG 56 HH11 ARG 56 3.326 9.576 5.886 446 HH12 ARG 56 HH12 ARG 56 2.907 11.164 6.429 447 HH21 ARG 56 HH21 ARG 56 5.015 12.833 4.189 448 HH22 ARG 56 HH22 ARG 56 3.857 13.006 5.471 449 HA PRO 57 HA PRO 57 0.819 10.751 -1.370 450 HB2 PRO 57 HB2 PRO 57 0.266 13.253 -0.375 451 HB3 PRO 57 HB1 PRO 57 -0.680 11.816 0.070 452 HG2 PRO 57 HG2 PRO 57 1.545 13.142 1.596 453 HG3 PRO 57 HG1 PRO 57 -0.026 12.554 2.187 454 HD2 PRO 57 HD2 PRO 57 2.254 11.104 2.496 455 HD3 PRO 57 HD1 PRO 57 0.672 10.329 2.246 456 H ASP 58 HN ASP 58 3.743 11.606 0.110 457 HA ASP 58 HA ASP 58 4.641 13.747 -1.558 458 HB2 ASP 58 HB2 ASP 58 6.333 11.742 0.012 459 HB3 ASP 58 HB1 ASP 58 6.838 13.329 -0.561 460 H VAL 59 HN VAL 59 4.649 10.246 -1.736 461 HA VAL 59 HA VAL 59 6.640 9.663 -3.589 462 HB VAL 59 HB VAL 59 3.983 8.272 -3.036 463 HG11 VAL 59 HG11 VAL 59 6.327 7.132 -4.597 464 HG12 VAL 59 HG12 VAL 59 4.735 7.519 -5.253 465 HG13 VAL 59 HG13 VAL 59 4.908 6.221 -4.070 466 HG21 VAL 59 HG21 VAL 59 5.515 8.382 -1.110 467 HG22 VAL 59 HG22 VAL 59 6.788 7.621 -2.069 468 HG23 VAL 59 HG23 VAL 59 5.323 6.718 -1.672 469 H PHE 60 HN PHE 60 3.461 10.970 -4.103 470 HA PHE 60 HA PHE 60 3.078 10.783 -6.856 471 HB2 PHE 60 HB2 PHE 60 2.324 12.943 -4.854 472 HB3 PHE 60 HB1 PHE 60 1.789 12.987 -6.528 473 HD1 PHE 60 HD1 PHE 60 -0.391 12.285 -6.875 474 HD2 PHE 60 HD2 PHE 60 1.825 10.459 -3.693 475 HE1 PHE 60 HE1 PHE 60 -2.356 10.958 -6.256 476 HE2 PHE 60 HE2 PHE 60 -0.156 9.141 -3.092 477 HZ PHE 60 HZ PHE 60 -2.236 9.401 -4.370 478 H GLY 61 HN GLY 61 4.697 11.211 -8.292 479 HA2 GLY 61 HA2 GLY 61 5.993 12.495 -9.701 480 HA3 GLY 61 HA1 GLY 61 5.429 13.927 -8.859 481 H ALA 62 HN ALA 62 6.896 11.439 -7.001 482 HA ALA 62 HA ALA 62 9.261 13.093 -6.455 483 HB1 ALA 62 HB1 ALA 62 8.138 10.670 -4.979 484 HB2 ALA 62 HB2 ALA 62 7.940 12.363 -4.515 485 HB3 ALA 62 HB3 ALA 62 9.543 11.622 -4.485 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -8.322 -5.760 12.213 2 H2 MET 1 HT2 MET 1 -8.020 -4.168 12.693 3 H3 MET 1 HT3 MET 1 -7.081 -5.428 13.306 4 HA MET 1 HA MET 1 -7.209 -4.604 10.488 5 HB2 MET 1 HB2 MET 1 -4.948 -3.697 10.773 6 HB3 MET 1 HB1 MET 1 -6.070 -2.909 11.864 7 HG2 MET 1 HG2 MET 1 -4.074 -3.200 13.070 8 HG3 MET 1 HG1 MET 1 -5.168 -4.436 13.690 9 HE1 MET 1 HE1 MET 1 -1.618 -6.159 13.889 10 HE2 MET 1 HE2 MET 1 -3.086 -5.783 14.790 11 HE3 MET 1 HE3 MET 1 -2.035 -4.479 14.231 12 H LYS 2 HN LYS 2 -5.817 -5.735 9.114 13 HA LYS 2 HA LYS 2 -4.713 -8.312 10.031 14 HB2 LYS 2 HB2 LYS 2 -6.472 -7.907 7.549 15 HB3 LYS 2 HB1 LYS 2 -5.683 -9.410 8.025 16 HG2 LYS 2 HG2 LYS 2 -7.096 -9.499 10.067 17 HG3 LYS 2 HG1 LYS 2 -7.877 -7.994 9.567 18 HD2 LYS 2 HD2 LYS 2 -9.274 -9.947 9.008 19 HD3 LYS 2 HD1 LYS 2 -8.762 -9.097 7.548 20 HE2 LYS 2 HE2 LYS 2 -8.611 -11.544 7.273 21 HE3 LYS 2 HE1 LYS 2 -7.017 -10.795 7.162 22 HZ1 LYS 2 HZ1 LYS 2 -6.941 -12.779 8.516 23 HZ2 LYS 2 HZ2 LYS 2 -8.135 -12.178 9.544 24 HZ3 LYS 2 HZ3 LYS 2 -6.625 -11.430 9.481 25 H LYS 3 HN LYS 3 -2.617 -8.159 9.512 26 HA LYS 3 HA LYS 3 -1.634 -6.243 7.574 27 HB2 LYS 3 HB2 LYS 3 -0.216 -8.245 9.384 28 HB3 LYS 3 HB1 LYS 3 0.603 -7.051 8.376 29 HG2 LYS 3 HG2 LYS 3 -0.471 -5.215 9.643 30 HG3 LYS 3 HG1 LYS 3 -1.324 -6.397 10.644 31 HD2 LYS 3 HD2 LYS 3 0.663 -5.523 11.827 32 HD3 LYS 3 HD1 LYS 3 0.835 -7.250 11.500 33 HE2 LYS 3 HE2 LYS 3 2.231 -6.681 9.501 34 HE3 LYS 3 HE1 LYS 3 2.126 -4.981 9.955 35 HZ1 LYS 3 HZ1 LYS 3 4.179 -6.163 10.671 36 HZ2 LYS 3 HZ2 LYS 3 3.234 -7.065 11.748 37 HZ3 LYS 3 HZ3 LYS 3 3.340 -5.387 11.912 38 H ILE 4 HN ILE 4 -1.778 -6.788 5.488 39 HA ILE 4 HA ILE 4 -1.217 -9.555 4.580 40 HB ILE 4 HB ILE 4 -2.600 -7.320 3.044 41 HG12 ILE 4 HG12 ILE 4 -3.819 -9.600 4.653 42 HG13 ILE 4 HG11 ILE 4 -4.051 -7.870 4.905 43 HG21 ILE 4 HG21 ILE 4 -1.566 -9.032 1.588 44 HG22 ILE 4 HG22 ILE 4 -3.324 -9.014 1.452 45 HG23 ILE 4 HG23 ILE 4 -2.522 -10.281 2.392 46 HD11 ILE 4 HD11 ILE 4 -5.012 -9.481 2.560 47 HD12 ILE 4 HD12 ILE 4 -5.214 -7.736 2.755 48 HD13 ILE 4 HD13 ILE 4 -5.979 -8.847 3.886 49 HA PRO 5 HA PRO 5 2.465 -7.868 2.416 50 HB2 PRO 5 HB2 PRO 5 2.252 -10.333 0.716 51 HB3 PRO 5 HB1 PRO 5 3.581 -9.811 1.770 52 HG2 PRO 5 HG2 PRO 5 2.037 -11.899 2.439 53 HG3 PRO 5 HG1 PRO 5 2.639 -10.769 3.680 54 HD2 PRO 5 HD2 PRO 5 -0.095 -10.825 2.364 55 HD3 PRO 5 HD1 PRO 5 0.302 -10.680 4.088 56 H LEU 6 HN LEU 6 2.686 -6.704 0.491 57 HA LEU 6 HA LEU 6 0.481 -5.628 -0.735 58 HB2 LEU 6 HB2 LEU 6 2.702 -4.595 -0.772 59 HB3 LEU 6 HB1 LEU 6 3.306 -5.860 -1.825 60 HG LEU 6 HG LEU 6 1.733 -5.048 -3.624 61 HD11 LEU 6 HD11 LEU 6 0.033 -3.986 -2.238 62 HD12 LEU 6 HD12 LEU 6 0.682 -2.856 -3.423 63 HD13 LEU 6 HD13 LEU 6 1.187 -2.747 -1.733 64 HD21 LEU 6 HD21 LEU 6 4.089 -4.338 -3.579 65 HD22 LEU 6 HD22 LEU 6 3.650 -2.939 -2.596 66 HD23 LEU 6 HD23 LEU 6 3.036 -3.089 -4.244 67 H SER 7 HN SER 7 2.703 -7.997 -2.170 68 HA SER 7 HA SER 7 1.439 -8.358 -4.610 69 HB2 SER 7 HB2 SER 7 3.088 -10.396 -3.063 70 HB3 SER 7 HB1 SER 7 2.868 -10.333 -4.813 71 HG SER 7 HG SER 7 4.213 -8.670 -4.943 72 H LYS 8 HN LYS 8 0.966 -10.056 -1.532 73 HA LYS 8 HA LYS 8 -0.764 -12.089 -2.562 74 HB2 LYS 8 HB2 LYS 8 -0.183 -11.201 0.283 75 HB3 LYS 8 HB1 LYS 8 -1.074 -12.655 -0.144 76 HG2 LYS 8 HG2 LYS 8 1.793 -12.194 -1.035 77 HG3 LYS 8 HG1 LYS 8 1.387 -12.920 0.514 78 HD2 LYS 8 HD2 LYS 8 1.854 -14.739 -0.932 79 HD3 LYS 8 HD1 LYS 8 0.102 -14.706 -0.773 80 HE2 LYS 8 HE2 LYS 8 -0.015 -13.557 -2.994 81 HE3 LYS 8 HE1 LYS 8 1.734 -13.728 -3.138 82 HZ1 LYS 8 HZ1 LYS 8 0.574 -15.479 -4.315 83 HZ2 LYS 8 HZ2 LYS 8 -0.215 -15.961 -2.900 84 HZ3 LYS 8 HZ3 LYS 8 1.463 -16.128 -3.032 85 H TYR 9 HN TYR 9 -1.255 -8.909 -1.187 86 HA TYR 9 HA TYR 9 -4.098 -9.067 -0.914 87 HB2 TYR 9 HB2 TYR 9 -2.798 -7.282 0.218 88 HB3 TYR 9 HB1 TYR 9 -2.286 -6.629 -1.332 89 HD1 TYR 9 HD1 TYR 9 -5.234 -7.188 0.863 90 HD2 TYR 9 HD2 TYR 9 -3.737 -5.107 -2.566 91 HE1 TYR 9 HE1 TYR 9 -7.263 -5.852 0.781 92 HE2 TYR 9 HE2 TYR 9 -5.791 -3.755 -2.634 93 HH TYR 9 HH TYR 9 -8.152 -3.956 -1.880 94 H LEU 10 HN LEU 10 -1.870 -8.000 -3.446 95 HA LEU 10 HA LEU 10 -3.784 -7.105 -5.310 96 HB2 LEU 10 HB2 LEU 10 -0.920 -8.007 -5.760 97 HB3 LEU 10 HB1 LEU 10 -1.900 -7.146 -6.938 98 HG LEU 10 HG LEU 10 -0.963 -6.030 -4.259 99 HD11 LEU 10 HD11 LEU 10 0.452 -4.526 -5.584 100 HD12 LEU 10 HD12 LEU 10 -0.050 -5.346 -7.066 101 HD13 LEU 10 HD13 LEU 10 0.874 -6.219 -5.841 102 HD21 LEU 10 HD21 LEU 10 -2.576 -4.671 -6.433 103 HD22 LEU 10 HD22 LEU 10 -1.885 -3.876 -5.014 104 HD23 LEU 10 HD23 LEU 10 -3.136 -5.100 -4.811 105 H GLU 11 HN GLU 11 -2.597 -10.267 -4.511 106 HA GLU 11 HA GLU 11 -3.581 -11.540 -6.929 107 HB2 GLU 11 HB2 GLU 11 -2.455 -12.706 -4.336 108 HB3 GLU 11 HB1 GLU 11 -2.950 -13.674 -5.720 109 HG2 GLU 11 HG2 GLU 11 -0.697 -11.655 -5.640 110 HG3 GLU 11 HG1 GLU 11 -0.533 -13.406 -5.721 111 H GLU 12 HN GLU 12 -4.565 -11.318 -3.489 112 HA GLU 12 HA GLU 12 -6.711 -13.258 -3.988 113 HB2 GLU 12 HB2 GLU 12 -5.141 -13.612 -2.092 114 HB3 GLU 12 HB1 GLU 12 -5.706 -12.118 -1.356 115 HG2 GLU 12 HG2 GLU 12 -6.743 -14.051 -0.278 116 HG3 GLU 12 HG1 GLU 12 -7.959 -13.075 -1.096 117 H HIS 13 HN HIS 13 -6.407 -9.945 -2.577 118 HA HIS 13 HA HIS 13 -9.308 -9.964 -2.033 119 HB2 HIS 13 HB2 HIS 13 -7.120 -8.099 -1.035 120 HB3 HIS 13 HB1 HIS 13 -8.811 -8.007 -0.559 121 HD1 HIS 13 HD1 HIS 13 -9.588 -9.583 1.290 122 HD2 HIS 13 HD2 HIS 13 -5.745 -10.417 -0.060 123 HE1 HIS 13 HE1 HIS 13 -8.643 -11.253 2.906 124 HE2 HIS 13 HE2 HIS 13 -6.287 -11.649 2.137 125 H GLY 14 HN GLY 14 -6.872 -7.848 -3.621 126 HA2 GLY 14 HA2 GLY 14 -8.905 -6.717 -5.380 127 HA3 GLY 14 HA1 GLY 14 -8.227 -5.585 -4.214 128 H THR 15 HN THR 15 -7.966 -5.089 -6.883 129 HA THR 15 HA THR 15 -5.305 -5.932 -7.758 130 HB THR 15 HB THR 15 -6.280 -4.069 -9.667 131 HG1 THR 15 HG1 THR 15 -8.459 -5.737 -9.016 132 HG21 THR 15 HG21 THR 15 -6.620 -7.070 -9.671 133 HG22 THR 15 HG22 THR 15 -5.172 -6.188 -10.178 134 HG23 THR 15 HG23 THR 15 -6.684 -6.008 -11.078 135 H GLN 16 HN GLN 16 -4.161 -4.026 -9.056 136 HA GLN 16 HA GLN 16 -2.981 -2.432 -7.050 137 HB2 GLN 16 HB2 GLN 16 -2.625 -2.260 -10.076 138 HB3 GLN 16 HB1 GLN 16 -1.602 -1.442 -8.905 139 HG2 GLN 16 HG2 GLN 16 -0.349 -3.316 -9.572 140 HG3 GLN 16 HG1 GLN 16 -1.017 -3.798 -8.018 141 HE21 GLN 16 HE21 GLN 16 -2.652 -5.414 -7.995 142 HE22 GLN 16 HE22 GLN 16 -2.913 -6.445 -9.353 143 H SER 17 HN SER 17 -5.163 -1.784 -9.733 144 HA SER 17 HA SER 17 -5.430 1.038 -9.447 145 HB2 SER 17 HB2 SER 17 -7.391 -0.928 -10.711 146 HB3 SER 17 HB1 SER 17 -7.222 0.792 -11.078 147 HG SER 17 HG SER 17 -4.899 0.028 -11.616 148 H ALA 18 HN ALA 18 -7.387 -1.756 -8.423 149 HA ALA 18 HA ALA 18 -9.483 -0.541 -7.059 150 HB1 ALA 18 HB1 ALA 18 -9.345 -2.970 -7.554 151 HB2 ALA 18 HB2 ALA 18 -9.696 -2.675 -5.844 152 HB3 ALA 18 HB3 ALA 18 -8.065 -3.137 -6.347 153 H LEU 19 HN LEU 19 -6.229 -1.328 -6.025 154 HA LEU 19 HA LEU 19 -6.585 -0.803 -3.250 155 HB2 LEU 19 HB2 LEU 19 -4.874 -2.370 -3.988 156 HB3 LEU 19 HB1 LEU 19 -4.090 -1.137 -4.960 157 HG LEU 19 HG LEU 19 -3.406 0.067 -2.894 158 HD11 LEU 19 HD11 LEU 19 -5.218 -0.574 -1.386 159 HD12 LEU 19 HD12 LEU 19 -3.641 -0.909 -0.681 160 HD13 LEU 19 HD13 LEU 19 -4.610 -2.232 -1.331 161 HD21 LEU 19 HD21 LEU 19 -2.553 -2.846 -2.904 162 HD22 LEU 19 HD22 LEU 19 -1.689 -1.505 -2.145 163 HD23 LEU 19 HD23 LEU 19 -1.869 -1.551 -3.896 164 H ALA 20 HN ALA 20 -5.017 0.936 -5.944 165 HA ALA 20 HA ALA 20 -4.196 3.262 -4.606 166 HB1 ALA 20 HB1 ALA 20 -4.026 4.262 -6.843 167 HB2 ALA 20 HB2 ALA 20 -4.993 2.951 -7.529 168 HB3 ALA 20 HB3 ALA 20 -3.400 2.616 -6.841 169 H ALA 21 HN ALA 21 -7.346 2.391 -5.962 170 HA ALA 21 HA ALA 21 -8.572 4.952 -5.672 171 HB1 ALA 21 HB1 ALA 21 -10.693 3.738 -5.924 172 HB2 ALA 21 HB2 ALA 21 -9.848 2.200 -5.699 173 HB3 ALA 21 HB3 ALA 21 -9.507 3.199 -7.114 174 H ALA 22 HN ALA 22 -8.316 2.096 -3.563 175 HA ALA 22 HA ALA 22 -9.895 3.083 -1.386 176 HB1 ALA 22 HB1 ALA 22 -9.506 0.689 -1.750 177 HB2 ALA 22 HB2 ALA 22 -8.982 1.169 -0.136 178 HB3 ALA 22 HB3 ALA 22 -7.788 0.894 -1.413 179 H LEU 23 HN LEU 23 -6.563 3.456 -2.310 180 HA LEU 23 HA LEU 23 -5.728 4.728 0.188 181 HB2 LEU 23 HB2 LEU 23 -4.242 4.468 -2.466 182 HB3 LEU 23 HB1 LEU 23 -3.551 4.977 -0.934 183 HG LEU 23 HG LEU 23 -4.496 2.193 -1.689 184 HD11 LEU 23 HD11 LEU 23 -2.167 1.532 -1.318 185 HD12 LEU 23 HD12 LEU 23 -1.738 3.205 -0.948 186 HD13 LEU 23 HD13 LEU 23 -2.298 2.772 -2.566 187 HD21 LEU 23 HD21 LEU 23 -5.193 2.574 0.597 188 HD22 LEU 23 HD22 LEU 23 -3.575 3.133 1.034 189 HD23 LEU 23 HD23 LEU 23 -3.833 1.451 0.562 190 H GLY 24 HN GLY 24 -7.125 5.558 -2.846 191 HA2 GLY 24 HA2 GLY 24 -7.851 7.520 -3.762 192 HA3 GLY 24 HA1 GLY 24 -7.370 8.344 -2.286 193 H VAL 25 HN VAL 25 -4.974 6.452 -3.896 194 HA VAL 25 HA VAL 25 -3.470 8.886 -4.644 195 HB VAL 25 HB VAL 25 -1.436 7.656 -4.317 196 HG11 VAL 25 HG11 VAL 25 -3.346 6.856 -2.101 197 HG12 VAL 25 HG12 VAL 25 -2.520 8.411 -2.245 198 HG13 VAL 25 HG13 VAL 25 -1.587 6.941 -1.967 199 HG21 VAL 25 HG21 VAL 25 -2.006 5.505 -5.370 200 HG22 VAL 25 HG22 VAL 25 -3.070 5.097 -4.027 201 HG23 VAL 25 HG23 VAL 25 -1.326 5.221 -3.764 202 H ASN 26 HN ASN 26 -2.120 8.800 -6.593 203 HA ASN 26 HA ASN 26 -3.169 7.347 -8.846 204 HB2 ASN 26 HB2 ASN 26 -0.671 9.052 -8.459 205 HB3 ASN 26 HB1 ASN 26 -0.946 8.162 -9.952 206 HD21 ASN 26 HD21 ASN 26 -1.996 10.848 -8.021 207 HD22 ASN 26 HD22 ASN 26 -3.050 11.545 -9.193 208 H GLN 27 HN GLN 27 -2.338 5.555 -9.848 209 HA GLN 27 HA GLN 27 -1.244 3.486 -8.267 210 HB2 GLN 27 HB2 GLN 27 -1.451 3.594 -11.310 211 HB3 GLN 27 HB1 GLN 27 -1.267 2.137 -10.331 212 HG2 GLN 27 HG2 GLN 27 -3.474 2.462 -9.348 213 HG3 GLN 27 HG1 GLN 27 -3.654 4.002 -10.193 214 HE21 GLN 27 HE21 GLN 27 -5.484 3.373 -11.341 215 HE22 GLN 27 HE22 GLN 27 -5.445 2.182 -12.595 216 H SER 28 HN SER 28 0.238 5.913 -10.230 217 HA SER 28 HA SER 28 2.704 4.911 -10.894 218 HB2 SER 28 HB2 SER 28 2.049 7.730 -9.935 219 HB3 SER 28 HB1 SER 28 3.487 7.271 -10.859 220 HG SER 28 HG SER 28 1.765 8.096 -12.161 221 H ALA 29 HN ALA 29 1.594 6.038 -7.723 222 HA ALA 29 HA ALA 29 4.039 5.864 -6.287 223 HB1 ALA 29 HB1 ALA 29 1.213 5.367 -5.282 224 HB2 ALA 29 HB2 ALA 29 2.020 6.933 -5.354 225 HB3 ALA 29 HB3 ALA 29 2.650 5.683 -4.286 226 H ILE 30 HN ILE 30 1.383 3.476 -6.518 227 HA ILE 30 HA ILE 30 2.560 1.413 -5.067 228 HB ILE 30 HB ILE 30 0.449 1.223 -7.287 229 HG12 ILE 30 HG12 ILE 30 0.193 1.568 -4.248 230 HG13 ILE 30 HG11 ILE 30 -0.250 2.742 -5.480 231 HG21 ILE 30 HG21 ILE 30 1.427 -1.002 -6.849 232 HG22 ILE 30 HG22 ILE 30 -0.231 -0.921 -6.259 233 HG23 ILE 30 HG23 ILE 30 1.114 -0.817 -5.121 234 HD11 ILE 30 HD11 ILE 30 -2.204 1.694 -4.552 235 HD12 ILE 30 HD12 ILE 30 -1.594 0.098 -4.982 236 HD13 ILE 30 HD13 ILE 30 -2.029 1.249 -6.248 237 H SER 31 HN SER 31 2.686 2.088 -8.534 238 HA SER 31 HA SER 31 3.924 -0.259 -9.461 239 HB2 SER 31 HB2 SER 31 4.105 2.561 -10.632 240 HB3 SER 31 HB1 SER 31 4.384 1.046 -11.494 241 HG SER 31 HG SER 31 2.275 0.609 -11.463 242 H GLN 32 HN GLN 32 5.271 2.840 -8.293 243 HA GLN 32 HA GLN 32 8.029 2.104 -8.747 244 HB2 GLN 32 HB2 GLN 32 6.748 4.418 -7.239 245 HB3 GLN 32 HB1 GLN 32 8.489 4.219 -7.390 246 HG2 GLN 32 HG2 GLN 32 6.606 4.523 -9.749 247 HG3 GLN 32 HG1 GLN 32 7.487 5.848 -8.999 248 HE21 GLN 32 HE21 GLN 32 8.612 6.349 -10.895 249 HE22 GLN 32 HE22 GLN 32 9.854 5.339 -11.545 250 H MET 33 HN MET 33 5.795 1.726 -6.108 251 HA MET 33 HA MET 33 7.669 1.113 -4.010 252 HB2 MET 33 HB2 MET 33 4.824 0.055 -4.259 253 HB3 MET 33 HB1 MET 33 5.750 0.302 -2.782 254 HG2 MET 33 HG2 MET 33 5.588 2.766 -3.108 255 HG3 MET 33 HG1 MET 33 4.779 2.472 -4.625 256 HE1 MET 33 HE1 MET 33 4.008 0.250 -1.477 257 HE2 MET 33 HE2 MET 33 2.959 1.353 -0.594 258 HE3 MET 33 HE3 MET 33 4.657 1.771 -0.863 259 H VAL 34 HN VAL 34 5.884 -0.717 -6.415 260 HA VAL 34 HA VAL 34 6.868 -3.339 -5.898 261 HB VAL 34 HB VAL 34 5.453 -1.978 -8.232 262 HG11 VAL 34 HG11 VAL 34 6.145 -4.931 -8.157 263 HG12 VAL 34 HG12 VAL 34 6.844 -3.731 -9.248 264 HG13 VAL 34 HG13 VAL 34 5.127 -4.116 -9.351 265 HG21 VAL 34 HG21 VAL 34 4.499 -4.114 -6.288 266 HG22 VAL 34 HG22 VAL 34 3.536 -3.383 -7.575 267 HG23 VAL 34 HG23 VAL 34 4.095 -2.395 -6.225 268 H ARG 35 HN ARG 35 7.819 -0.704 -8.060 269 HA ARG 35 HA ARG 35 9.819 -2.086 -9.565 270 HB2 ARG 35 HB2 ARG 35 8.484 0.023 -10.196 271 HB3 ARG 35 HB1 ARG 35 9.550 0.935 -9.149 272 HG2 ARG 35 HG2 ARG 35 10.518 -0.621 -11.577 273 HG3 ARG 35 HG1 ARG 35 9.994 1.058 -11.644 274 HD2 ARG 35 HD2 ARG 35 12.396 -0.076 -10.195 275 HD3 ARG 35 HD1 ARG 35 12.373 1.085 -11.527 276 HE ARG 35 HE ARG 35 11.017 2.449 -9.694 277 HH11 ARG 35 HH11 ARG 35 14.049 0.693 -9.343 278 HH12 ARG 35 HH12 ARG 35 14.624 1.720 -8.068 279 HH21 ARG 35 HH21 ARG 35 11.751 3.720 -7.967 280 HH22 ARG 35 HH22 ARG 35 13.324 3.430 -7.290 281 H ALA 36 HN ALA 36 9.771 -0.291 -6.558 282 HA ALA 36 HA ALA 36 12.554 -0.061 -6.057 283 HB1 ALA 36 HB1 ALA 36 10.855 1.200 -4.799 284 HB2 ALA 36 HB2 ALA 36 11.869 0.265 -3.701 285 HB3 ALA 36 HB3 ALA 36 10.238 -0.295 -4.092 286 H GLY 37 HN GLY 37 10.314 -2.715 -5.862 287 HA2 GLY 37 HA2 GLY 37 10.774 -4.995 -5.703 288 HA3 GLY 37 HA1 GLY 37 12.402 -4.630 -5.148 289 H ARG 38 HN ARG 38 9.885 -2.902 -3.598 290 HA ARG 38 HA ARG 38 10.348 -4.346 -1.100 291 HB2 ARG 38 HB2 ARG 38 9.189 -1.620 -1.805 292 HB3 ARG 38 HB1 ARG 38 8.993 -2.294 -0.192 293 HG2 ARG 38 HG2 ARG 38 11.679 -1.768 -1.519 294 HG3 ARG 38 HG1 ARG 38 10.891 -0.691 -0.363 295 HD2 ARG 38 HD2 ARG 38 10.916 -2.603 1.302 296 HD3 ARG 38 HD1 ARG 38 11.897 -3.511 0.155 297 HE ARG 38 HE ARG 38 13.635 -1.806 0.417 298 HH11 ARG 38 HH11 ARG 38 12.171 -1.190 4.125 299 HH12 ARG 38 HH12 ARG 38 11.164 -1.933 2.926 300 HH21 ARG 38 HH21 ARG 38 14.955 -0.857 2.017 301 HH22 ARG 38 HH22 ARG 38 14.323 -0.582 3.605 302 H CYS 39 HN CYS 39 8.929 -5.935 -0.553 303 HA CYS 39 HA CYS 39 6.158 -5.976 -1.391 304 HB2 CYS 39 HB2 CYS 39 7.356 -8.108 -0.976 305 HB3 CYS 39 HB1 CYS 39 7.605 -7.654 0.706 306 HG CYS 39 HG CYS 39 5.534 -8.942 1.482 307 H ILE 40 HN ILE 40 4.632 -4.794 -0.443 308 HA ILE 40 HA ILE 40 5.357 -3.132 1.877 309 HB ILE 40 HB ILE 40 3.265 -2.822 -0.325 310 HG12 ILE 40 HG12 ILE 40 5.564 -2.634 -1.166 311 HG13 ILE 40 HG11 ILE 40 4.763 -1.074 -1.218 312 HG21 ILE 40 HG21 ILE 40 2.450 -1.726 1.680 313 HG22 ILE 40 HG22 ILE 40 2.926 -0.528 0.479 314 HG23 ILE 40 HG23 ILE 40 3.973 -0.854 1.859 315 HD11 ILE 40 HD11 ILE 40 5.979 -0.441 0.848 316 HD12 ILE 40 HD12 ILE 40 7.028 -0.798 -0.523 317 HD13 ILE 40 HD13 ILE 40 6.830 -1.985 0.765 318 H ASP 41 HN ASP 41 3.918 -2.830 3.634 319 HA ASP 41 HA ASP 41 2.057 -5.029 4.108 320 HB2 ASP 41 HB2 ASP 41 3.686 -4.140 5.856 321 HB3 ASP 41 HB1 ASP 41 2.662 -2.709 5.994 322 H ILE 42 HN ILE 42 0.098 -4.853 3.292 323 HA ILE 42 HA ILE 42 -1.381 -2.307 3.210 324 HB ILE 42 HB ILE 42 -2.112 -5.064 2.087 325 HG12 ILE 42 HG12 ILE 42 -0.232 -4.063 0.853 326 HG13 ILE 42 HG11 ILE 42 -1.680 -4.035 -0.144 327 HG21 ILE 42 HG21 ILE 42 -4.140 -3.795 2.643 328 HG22 ILE 42 HG22 ILE 42 -3.949 -3.895 0.894 329 HG23 ILE 42 HG23 ILE 42 -3.548 -2.397 1.739 330 HD11 ILE 42 HD11 ILE 42 -0.414 -1.986 -0.382 331 HD12 ILE 42 HD12 ILE 42 -0.510 -1.682 1.351 332 HD13 ILE 42 HD13 ILE 42 -1.975 -1.646 0.363 333 H GLU 43 HN GLU 43 -2.141 -1.880 5.185 334 HA GLU 43 HA GLU 43 -3.049 -3.826 7.070 335 HB2 GLU 43 HB2 GLU 43 -2.133 -1.650 7.786 336 HB3 GLU 43 HB1 GLU 43 -3.475 -0.803 7.019 337 HG2 GLU 43 HG2 GLU 43 -5.049 -1.986 8.578 338 HG3 GLU 43 HG1 GLU 43 -3.664 -2.718 9.380 339 H LEU 44 HN LEU 44 -4.696 -5.044 6.328 340 HA LEU 44 HA LEU 44 -7.084 -3.964 5.089 341 HB2 LEU 44 HB2 LEU 44 -6.291 -6.144 4.353 342 HB3 LEU 44 HB1 LEU 44 -6.283 -6.761 5.995 343 HG LEU 44 HG LEU 44 -8.821 -6.528 6.014 344 HD11 LEU 44 HD11 LEU 44 -9.081 -4.891 4.227 345 HD12 LEU 44 HD12 LEU 44 -10.006 -6.351 3.890 346 HD13 LEU 44 HD13 LEU 44 -8.479 -6.060 3.046 347 HD21 LEU 44 HD21 LEU 44 -7.695 -8.689 5.602 348 HD22 LEU 44 HD22 LEU 44 -7.750 -8.364 3.867 349 HD23 LEU 44 HD23 LEU 44 -9.249 -8.558 4.780 350 H TYR 45 HN TYR 45 -8.315 -2.782 6.477 351 HA TYR 45 HA TYR 45 -8.916 -3.240 9.184 352 HB2 TYR 45 HB2 TYR 45 -10.647 -2.071 6.959 353 HB3 TYR 45 HB1 TYR 45 -11.089 -2.008 8.657 354 HD1 TYR 45 HD1 TYR 45 -10.427 -0.119 9.941 355 HD2 TYR 45 HD2 TYR 45 -8.382 -0.933 6.277 356 HE1 TYR 45 HE1 TYR 45 -9.244 2.030 10.118 357 HE2 TYR 45 HE2 TYR 45 -7.194 1.207 6.463 358 HH TYR 45 HH TYR 45 -7.668 3.479 7.601 359 H THR 46 HN THR 46 -10.699 -4.356 10.146 360 HA THR 46 HA THR 46 -10.850 -7.026 9.357 361 HB THR 46 HB THR 46 -12.692 -5.586 11.320 362 HG1 THR 46 HG1 THR 46 -11.049 -5.617 12.713 363 HG21 THR 46 HG21 THR 46 -12.774 -7.755 12.509 364 HG22 THR 46 HG22 THR 46 -11.753 -8.488 11.271 365 HG23 THR 46 HG23 THR 46 -13.378 -7.937 10.859 366 H ASP 47 HN ASP 47 -12.990 -4.369 8.549 367 HA ASP 47 HA ASP 47 -15.262 -6.005 7.777 368 HB2 ASP 47 HB2 ASP 47 -16.399 -3.955 7.349 369 HB3 ASP 47 HB1 ASP 47 -15.405 -3.657 8.769 370 H GLY 48 HN GLY 48 -12.401 -4.901 6.213 371 HA2 GLY 48 HA2 GLY 48 -11.848 -5.978 4.073 372 HA3 GLY 48 HA1 GLY 48 -13.471 -5.603 3.521 373 H ARG 49 HN ARG 49 -12.611 -2.895 5.196 374 HA ARG 49 HA ARG 49 -11.714 -1.335 2.949 375 HB2 ARG 49 HB2 ARG 49 -13.033 -0.321 4.763 376 HB3 ARG 49 HB1 ARG 49 -11.810 -0.743 5.953 377 HG2 ARG 49 HG2 ARG 49 -11.698 1.633 5.472 378 HG3 ARG 49 HG1 ARG 49 -10.234 0.854 4.871 379 HD2 ARG 49 HD2 ARG 49 -11.236 0.859 2.571 380 HD3 ARG 49 HD1 ARG 49 -12.630 1.735 3.218 381 HE ARG 49 HE ARG 49 -10.213 3.089 3.848 382 HH11 ARG 49 HH11 ARG 49 -11.922 3.991 0.311 383 HH12 ARG 49 HH12 ARG 49 -12.369 2.525 1.113 384 HH21 ARG 49 HH21 ARG 49 -9.638 4.999 2.788 385 HH22 ARG 49 HH22 ARG 49 -10.363 5.402 1.265 386 H VAL 50 HN VAL 50 -9.512 -0.342 2.719 387 HA VAL 50 HA VAL 50 -7.400 -1.524 4.426 388 HB VAL 50 HB VAL 50 -5.870 -1.816 2.505 389 HG11 VAL 50 HG11 VAL 50 -7.109 -3.742 3.337 390 HG12 VAL 50 HG12 VAL 50 -6.818 -3.859 1.609 391 HG13 VAL 50 HG13 VAL 50 -8.420 -3.420 2.199 392 HG21 VAL 50 HG21 VAL 50 -6.725 -1.814 0.173 393 HG22 VAL 50 HG22 VAL 50 -6.815 -0.219 0.920 394 HG23 VAL 50 HG23 VAL 50 -8.276 -1.190 0.751 395 H GLU 51 HN GLU 51 -5.450 -0.438 4.525 396 HA GLU 51 HA GLU 51 -5.072 2.099 3.148 397 HB2 GLU 51 HB2 GLU 51 -6.112 2.745 5.321 398 HB3 GLU 51 HB1 GLU 51 -4.863 1.859 6.190 399 HG2 GLU 51 HG2 GLU 51 -4.412 4.275 6.208 400 HG3 GLU 51 HG1 GLU 51 -3.148 3.395 5.353 401 H CYS 52 HN CYS 52 -2.881 2.472 2.724 402 HA CYS 52 HA CYS 52 -1.106 0.179 3.169 403 HB2 CYS 52 HB2 CYS 52 -1.321 1.056 0.877 404 HB3 CYS 52 HB1 CYS 52 -0.751 2.638 1.407 405 HG CYS 52 HG CYS 52 1.227 1.217 -0.038 406 H ARG 53 HN ARG 53 0.539 0.227 4.563 407 HA ARG 53 HA ARG 53 0.771 2.445 6.406 408 HB2 ARG 53 HB2 ARG 53 2.229 -0.226 6.286 409 HB3 ARG 53 HB1 ARG 53 2.321 0.914 7.628 410 HG2 ARG 53 HG2 ARG 53 -0.133 -0.615 6.705 411 HG3 ARG 53 HG1 ARG 53 0.790 -0.880 8.185 412 HD2 ARG 53 HD2 ARG 53 -0.882 1.571 7.511 413 HD3 ARG 53 HD1 ARG 53 -1.261 0.320 8.700 414 HE ARG 53 HE ARG 53 1.247 1.764 9.109 415 HH11 ARG 53 HH11 ARG 53 -1.929 2.459 11.476 416 HH12 ARG 53 HH12 ARG 53 -2.152 1.557 10.014 417 HH21 ARG 53 HH21 ARG 53 1.505 2.915 11.047 418 HH22 ARG 53 HH22 ARG 53 0.133 3.226 12.061 419 H GLU 54 HN GLU 54 2.632 1.138 3.735 420 HA GLU 54 HA GLU 54 4.994 2.773 4.324 421 HB2 GLU 54 HB2 GLU 54 5.102 0.370 3.431 422 HB3 GLU 54 HB1 GLU 54 4.566 1.011 1.886 423 HG2 GLU 54 HG2 GLU 54 6.951 0.777 1.800 424 HG3 GLU 54 HG1 GLU 54 6.591 2.500 1.873 425 H LEU 55 HN LEU 55 2.045 3.324 2.778 426 HA LEU 55 HA LEU 55 3.238 5.273 0.901 427 HB2 LEU 55 HB2 LEU 55 2.152 3.073 -0.094 428 HB3 LEU 55 HB1 LEU 55 0.628 3.860 0.240 429 HG LEU 55 HG LEU 55 1.425 4.094 -2.140 430 HD11 LEU 55 HD11 LEU 55 0.946 6.478 -2.436 431 HD12 LEU 55 HD12 LEU 55 1.146 6.744 -0.701 432 HD13 LEU 55 HD13 LEU 55 -0.170 5.730 -1.292 433 HD21 LEU 55 HD21 LEU 55 3.301 5.555 -2.688 434 HD22 LEU 55 HD22 LEU 55 3.843 4.240 -1.650 435 HD23 LEU 55 HD23 LEU 55 3.610 5.853 -0.974 436 H ARG 56 HN ARG 56 2.903 7.058 2.064 437 HA ARG 56 HA ARG 56 0.165 7.966 2.556 438 HB2 ARG 56 HB2 ARG 56 2.869 9.266 3.038 439 HB3 ARG 56 HB1 ARG 56 1.324 10.072 3.329 440 HG2 ARG 56 HG2 ARG 56 0.702 8.291 4.943 441 HG3 ARG 56 HG1 ARG 56 2.272 7.520 4.678 442 HD2 ARG 56 HD2 ARG 56 2.297 8.834 6.714 443 HD3 ARG 56 HD1 ARG 56 3.395 9.528 5.524 444 HE ARG 56 HE ARG 56 1.098 10.922 5.157 445 HH11 ARG 56 HH11 ARG 56 2.668 11.886 8.733 446 HH12 ARG 56 HH12 ARG 56 3.108 10.370 8.010 447 HH21 ARG 56 HH21 ARG 56 1.212 13.298 7.655 448 HH22 ARG 56 HH22 ARG 56 0.539 12.863 6.116 449 HA PRO 57 HA PRO 57 -0.538 9.272 -1.567 450 HB2 PRO 57 HB2 PRO 57 -1.817 11.757 -1.243 451 HB3 PRO 57 HB1 PRO 57 -2.586 10.174 -1.039 452 HG2 PRO 57 HG2 PRO 57 -1.421 11.974 1.070 453 HG3 PRO 57 HG1 PRO 57 -2.960 11.078 1.077 454 HD2 PRO 57 HD2 PRO 57 -0.885 10.108 2.422 455 HD3 PRO 57 HD1 PRO 57 -1.907 9.003 1.470 456 H ASP 58 HN ASP 58 1.138 11.668 0.359 457 HA ASP 58 HA ASP 58 1.732 13.500 -1.773 458 HB2 ASP 58 HB2 ASP 58 3.054 14.687 -0.022 459 HB3 ASP 58 HB1 ASP 58 1.431 14.278 0.524 460 H VAL 59 HN VAL 59 2.975 10.534 -1.118 461 HA VAL 59 HA VAL 59 5.657 10.422 -1.110 462 HB VAL 59 HB VAL 59 4.170 8.459 -1.065 463 HG11 VAL 59 HG11 VAL 59 3.231 7.453 -3.088 464 HG12 VAL 59 HG12 VAL 59 3.801 8.824 -4.041 465 HG13 VAL 59 HG13 VAL 59 2.579 9.067 -2.794 466 HG21 VAL 59 HG21 VAL 59 5.581 6.880 -2.335 467 HG22 VAL 59 HG22 VAL 59 6.567 8.094 -1.518 468 HG23 VAL 59 HG23 VAL 59 6.270 8.225 -3.252 469 H PHE 60 HN PHE 60 3.728 10.835 -4.087 470 HA PHE 60 HA PHE 60 6.032 12.029 -5.503 471 HB2 PHE 60 HB2 PHE 60 4.110 9.944 -6.669 472 HB3 PHE 60 HB1 PHE 60 5.309 10.833 -7.593 473 HD1 PHE 60 HD1 PHE 60 7.825 10.576 -6.658 474 HD2 PHE 60 HD2 PHE 60 4.673 7.752 -6.017 475 HE1 PHE 60 HE1 PHE 60 9.487 8.797 -6.267 476 HE2 PHE 60 HE2 PHE 60 6.344 5.983 -5.623 477 HZ PHE 60 HZ PHE 60 8.747 6.506 -5.746 478 H GLY 61 HN GLY 61 3.515 12.990 -4.080 479 HA2 GLY 61 HA2 GLY 61 1.689 14.355 -4.353 480 HA3 GLY 61 HA1 GLY 61 2.345 14.804 -5.928 481 H ALA 62 HN ALA 62 1.339 11.671 -4.658 482 HA ALA 62 HA ALA 62 -0.150 11.037 -7.088 483 HB1 ALA 62 HB1 ALA 62 -0.103 8.721 -6.224 484 HB2 ALA 62 HB2 ALA 62 0.644 9.282 -4.723 485 HB3 ALA 62 HB3 ALA 62 1.521 9.420 -6.248 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -6.775 -2.565 12.843 2 H2 MET 1 HT2 MET 1 -5.130 -2.937 12.882 3 H3 MET 1 HT3 MET 1 -6.268 -4.117 13.279 4 HA MET 1 HA MET 1 -7.130 -4.128 11.072 5 HB2 MET 1 HB2 MET 1 -6.010 -2.860 9.268 6 HB3 MET 1 HB1 MET 1 -6.690 -1.787 10.483 7 HG2 MET 1 HG2 MET 1 -3.767 -2.547 10.317 8 HG3 MET 1 HG1 MET 1 -4.469 -1.070 9.651 9 HE1 MET 1 HE1 MET 1 -1.988 -1.035 11.663 10 HE2 MET 1 HE2 MET 1 -2.460 0.294 12.720 11 HE3 MET 1 HE3 MET 1 -2.723 0.413 10.979 12 H LYS 2 HN LYS 2 -6.053 -5.275 9.260 13 HA LYS 2 HA LYS 2 -3.929 -7.048 10.259 14 HB2 LYS 2 HB2 LYS 2 -5.675 -7.362 7.766 15 HB3 LYS 2 HB1 LYS 2 -4.607 -8.582 8.451 16 HG2 LYS 2 HG2 LYS 2 -7.159 -7.507 9.680 17 HG3 LYS 2 HG1 LYS 2 -6.911 -9.114 8.989 18 HD2 LYS 2 HD2 LYS 2 -5.286 -9.639 10.780 19 HD3 LYS 2 HD1 LYS 2 -5.491 -8.020 11.455 20 HE2 LYS 2 HE2 LYS 2 -6.788 -9.628 12.742 21 HE3 LYS 2 HE1 LYS 2 -7.880 -8.528 11.901 22 HZ1 LYS 2 HZ1 LYS 2 -7.174 -11.273 11.018 23 HZ2 LYS 2 HZ2 LYS 2 -8.238 -10.227 10.225 24 HZ3 LYS 2 HZ3 LYS 2 -8.625 -10.818 11.762 25 H LYS 3 HN LYS 3 -2.217 -7.714 8.710 26 HA LYS 3 HA LYS 3 -1.512 -5.623 6.727 27 HB2 LYS 3 HB2 LYS 3 0.832 -6.182 7.059 28 HB3 LYS 3 HB1 LYS 3 0.109 -5.816 8.620 29 HG2 LYS 3 HG2 LYS 3 -0.024 -8.214 9.137 30 HG3 LYS 3 HG1 LYS 3 0.670 -8.605 7.562 31 HD2 LYS 3 HD2 LYS 3 2.734 -7.312 8.226 32 HD3 LYS 3 HD1 LYS 3 2.041 -7.119 9.841 33 HE2 LYS 3 HE2 LYS 3 2.787 -9.730 8.483 34 HE3 LYS 3 HE1 LYS 3 3.625 -8.969 9.832 35 HZ1 LYS 3 HZ1 LYS 3 0.873 -10.085 9.875 36 HZ2 LYS 3 HZ2 LYS 3 1.612 -9.289 11.172 37 HZ3 LYS 3 HZ3 LYS 3 2.241 -10.756 10.608 38 H ILE 4 HN ILE 4 -1.127 -6.252 4.661 39 HA ILE 4 HA ILE 4 -0.769 -9.119 4.014 40 HB ILE 4 HB ILE 4 -2.446 -7.151 2.407 41 HG12 ILE 4 HG12 ILE 4 -3.264 -9.607 4.008 42 HG13 ILE 4 HG11 ILE 4 -3.778 -7.941 4.267 43 HG21 ILE 4 HG21 ILE 4 -1.185 -8.646 0.902 44 HG22 ILE 4 HG22 ILE 4 -2.919 -8.934 0.802 45 HG23 ILE 4 HG23 ILE 4 -1.889 -10.051 1.708 46 HD11 ILE 4 HD11 ILE 4 -4.879 -8.055 2.006 47 HD12 ILE 4 HD12 ILE 4 -5.573 -9.071 3.277 48 HD13 ILE 4 HD13 ILE 4 -4.539 -9.791 2.041 49 HA PRO 5 HA PRO 5 2.911 -7.430 1.968 50 HB2 PRO 5 HB2 PRO 5 2.681 -9.882 0.214 51 HB3 PRO 5 HB1 PRO 5 4.035 -9.352 1.243 52 HG2 PRO 5 HG2 PRO 5 2.523 -11.432 1.959 53 HG3 PRO 5 HG1 PRO 5 3.108 -10.276 3.183 54 HD2 PRO 5 HD2 PRO 5 0.383 -10.435 1.883 55 HD3 PRO 5 HD1 PRO 5 0.782 -10.193 3.593 56 H LEU 6 HN LEU 6 3.075 -6.040 0.261 57 HA LEU 6 HA LEU 6 0.921 -5.012 -1.068 58 HB2 LEU 6 HB2 LEU 6 3.026 -3.805 -0.776 59 HB3 LEU 6 HB1 LEU 6 3.855 -4.923 -1.841 60 HG LEU 6 HG LEU 6 2.519 -4.072 -3.765 61 HD11 LEU 6 HD11 LEU 6 1.207 -2.014 -3.563 62 HD12 LEU 6 HD12 LEU 6 1.417 -2.034 -1.811 63 HD13 LEU 6 HD13 LEU 6 0.509 -3.320 -2.610 64 HD21 LEU 6 HD21 LEU 6 4.742 -3.133 -3.314 65 HD22 LEU 6 HD22 LEU 6 4.026 -1.903 -2.271 66 HD23 LEU 6 HD23 LEU 6 3.666 -1.919 -3.998 67 H SER 7 HN SER 7 3.366 -7.183 -2.438 68 HA SER 7 HA SER 7 2.348 -7.372 -5.048 69 HB2 SER 7 HB2 SER 7 4.081 -9.345 -3.516 70 HB3 SER 7 HB1 SER 7 3.889 -9.286 -5.273 71 HG SER 7 HG SER 7 4.745 -7.149 -5.202 72 H LYS 8 HN LYS 8 1.866 -9.508 -2.214 73 HA LYS 8 HA LYS 8 0.204 -11.405 -3.527 74 HB2 LYS 8 HB2 LYS 8 0.647 -10.771 -0.598 75 HB3 LYS 8 HB1 LYS 8 -0.595 -11.920 -1.090 76 HG2 LYS 8 HG2 LYS 8 1.269 -13.142 -2.382 77 HG3 LYS 8 HG1 LYS 8 2.402 -12.150 -1.456 78 HD2 LYS 8 HD2 LYS 8 1.640 -13.090 0.636 79 HD3 LYS 8 HD1 LYS 8 0.260 -13.864 -0.150 80 HE2 LYS 8 HE2 LYS 8 1.968 -15.523 0.360 81 HE3 LYS 8 HE1 LYS 8 1.804 -15.356 -1.385 82 HZ1 LYS 8 HZ1 LYS 8 3.787 -13.940 -1.359 83 HZ2 LYS 8 HZ2 LYS 8 4.100 -15.492 -0.765 84 HZ3 LYS 8 HZ3 LYS 8 3.949 -14.194 0.309 85 H TYR 9 HN TYR 9 -0.494 -8.349 -1.941 86 HA TYR 9 HA TYR 9 -3.324 -8.667 -1.788 87 HB2 TYR 9 HB2 TYR 9 -2.200 -7.014 -0.371 88 HB3 TYR 9 HB1 TYR 9 -1.611 -6.137 -1.765 89 HD1 TYR 9 HD1 TYR 9 -4.600 -6.948 0.245 90 HD2 TYR 9 HD2 TYR 9 -3.084 -4.623 -3.021 91 HE1 TYR 9 HE1 TYR 9 -6.669 -5.671 0.190 92 HE2 TYR 9 HE2 TYR 9 -5.180 -3.333 -3.053 93 HH TYR 9 HH TYR 9 -7.528 -3.676 -2.388 94 H LEU 10 HN LEU 10 -1.169 -7.121 -4.151 95 HA LEU 10 HA LEU 10 -3.089 -5.990 -5.872 96 HB2 LEU 10 HB2 LEU 10 -0.256 -6.940 -6.435 97 HB3 LEU 10 HB1 LEU 10 -1.202 -5.973 -7.552 98 HG LEU 10 HG LEU 10 -0.360 -5.049 -4.778 99 HD11 LEU 10 HD11 LEU 10 1.599 -5.318 -6.219 100 HD12 LEU 10 HD12 LEU 10 1.277 -3.616 -5.907 101 HD13 LEU 10 HD13 LEU 10 0.846 -4.321 -7.468 102 HD21 LEU 10 HD21 LEU 10 -1.638 -3.498 -7.054 103 HD22 LEU 10 HD22 LEU 10 -1.090 -2.822 -5.515 104 HD23 LEU 10 HD23 LEU 10 -2.425 -3.970 -5.545 105 H GLU 11 HN GLU 11 -1.826 -9.247 -5.664 106 HA GLU 11 HA GLU 11 -2.974 -10.048 -8.243 107 HB2 GLU 11 HB2 GLU 11 -1.267 -11.572 -6.235 108 HB3 GLU 11 HB1 GLU 11 -1.798 -12.204 -7.789 109 HG2 GLU 11 HG2 GLU 11 0.083 -9.868 -7.326 110 HG3 GLU 11 HG1 GLU 11 0.504 -11.455 -7.965 111 H GLU 12 HN GLU 12 -3.494 -10.573 -4.778 112 HA GLU 12 HA GLU 12 -5.298 -12.835 -5.283 113 HB2 GLU 12 HB2 GLU 12 -3.517 -13.054 -3.567 114 HB3 GLU 12 HB1 GLU 12 -4.212 -11.719 -2.662 115 HG2 GLU 12 HG2 GLU 12 -4.829 -13.728 -1.557 116 HG3 GLU 12 HG1 GLU 12 -6.281 -13.109 -2.339 117 H HIS 13 HN HIS 13 -5.364 -9.696 -3.500 118 HA HIS 13 HA HIS 13 -8.223 -10.067 -2.880 119 HB2 HIS 13 HB2 HIS 13 -6.064 -8.221 -1.826 120 HB3 HIS 13 HB1 HIS 13 -7.760 -7.901 -1.489 121 HD1 HIS 13 HD1 HIS 13 -8.582 -8.879 0.603 122 HD2 HIS 13 HD2 HIS 13 -5.300 -10.972 -0.877 123 HE1 HIS 13 HE1 HIS 13 -8.047 -10.603 2.337 124 HE2 HIS 13 HE2 HIS 13 -6.239 -12.023 1.307 125 H GLY 14 HN GLY 14 -6.109 -7.619 -4.372 126 HA2 GLY 14 HA2 GLY 14 -8.449 -6.329 -5.649 127 HA3 GLY 14 HA1 GLY 14 -7.266 -5.386 -4.736 128 H THR 15 HN THR 15 -6.498 -4.180 -6.447 129 HA THR 15 HA THR 15 -4.624 -5.465 -8.210 130 HB THR 15 HB THR 15 -5.949 -3.781 -10.087 131 HG1 THR 15 HG1 THR 15 -7.842 -5.232 -8.558 132 HG21 THR 15 HG21 THR 15 -6.086 -6.790 -9.840 133 HG22 THR 15 HG22 THR 15 -4.796 -5.856 -10.607 134 HG23 THR 15 HG23 THR 15 -6.424 -5.845 -11.299 135 H GLN 16 HN GLN 16 -3.735 -3.649 -9.783 136 HA GLN 16 HA GLN 16 -2.357 -1.905 -8.032 137 HB2 GLN 16 HB2 GLN 16 -2.265 -2.089 -11.068 138 HB3 GLN 16 HB1 GLN 16 -1.173 -1.101 -10.107 139 HG2 GLN 16 HG2 GLN 16 0.034 -3.068 -10.665 140 HG3 GLN 16 HG1 GLN 16 -0.387 -3.227 -8.967 141 HE21 GLN 16 HE21 GLN 16 -0.019 -5.505 -9.166 142 HE22 GLN 16 HE22 GLN 16 -1.190 -6.541 -9.904 143 H SER 17 HN SER 17 -4.675 -1.396 -10.642 144 HA SER 17 HA SER 17 -4.952 1.433 -10.436 145 HB2 SER 17 HB2 SER 17 -6.966 -0.600 -11.479 146 HB3 SER 17 HB1 SER 17 -6.934 1.123 -11.861 147 HG SER 17 HG SER 17 -4.588 -0.260 -12.408 148 H ALA 18 HN ALA 18 -6.638 -1.329 -9.081 149 HA ALA 18 HA ALA 18 -8.843 -0.041 -7.884 150 HB1 ALA 18 HB1 ALA 18 -8.737 -2.458 -8.388 151 HB2 ALA 18 HB2 ALA 18 -9.165 -2.157 -6.703 152 HB3 ALA 18 HB3 ALA 18 -7.524 -2.660 -7.116 153 H LEU 19 HN LEU 19 -5.620 -0.820 -6.735 154 HA LEU 19 HA LEU 19 -6.167 -0.251 -3.962 155 HB2 LEU 19 HB2 LEU 19 -4.416 -1.875 -4.468 156 HB3 LEU 19 HB1 LEU 19 -3.532 -0.693 -5.419 157 HG LEU 19 HG LEU 19 -3.063 0.617 -3.354 158 HD11 LEU 19 HD11 LEU 19 -4.991 0.019 -1.978 159 HD12 LEU 19 HD12 LEU 19 -3.490 -0.308 -1.120 160 HD13 LEU 19 HD13 LEU 19 -4.402 -1.642 -1.828 161 HD21 LEU 19 HD21 LEU 19 -1.413 -1.003 -4.145 162 HD22 LEU 19 HD22 LEU 19 -2.171 -2.281 -3.191 163 HD23 LEU 19 HD23 LEU 19 -1.397 -0.913 -2.387 164 H ALA 20 HN ALA 20 -4.384 1.343 -6.599 165 HA ALA 20 HA ALA 20 -3.703 3.771 -5.393 166 HB1 ALA 20 HB1 ALA 20 -2.905 3.077 -7.623 167 HB2 ALA 20 HB2 ALA 20 -3.618 4.688 -7.683 168 HB3 ALA 20 HB3 ALA 20 -4.526 3.300 -8.288 169 H ALA 21 HN ALA 21 -6.762 2.818 -6.990 170 HA ALA 21 HA ALA 21 -8.146 5.276 -6.759 171 HB1 ALA 21 HB1 ALA 21 -10.193 3.951 -7.134 172 HB2 ALA 21 HB2 ALA 21 -9.300 2.463 -6.810 173 HB3 ALA 21 HB3 ALA 21 -8.900 3.437 -8.222 174 H ALA 22 HN ALA 22 -7.961 2.451 -4.632 175 HA ALA 22 HA ALA 22 -9.807 3.175 -2.640 176 HB1 ALA 22 HB1 ALA 22 -7.321 1.446 -2.371 177 HB2 ALA 22 HB2 ALA 22 -8.914 0.896 -2.899 178 HB3 ALA 22 HB3 ALA 22 -8.683 1.477 -1.249 179 H LEU 23 HN LEU 23 -6.344 3.812 -2.953 180 HA LEU 23 HA LEU 23 -6.053 5.163 -0.417 181 HB2 LEU 23 HB2 LEU 23 -4.175 5.170 -2.816 182 HB3 LEU 23 HB1 LEU 23 -3.765 5.634 -1.171 183 HG LEU 23 HG LEU 23 -4.472 2.828 -2.104 184 HD11 LEU 23 HD11 LEU 23 -1.786 3.929 -1.251 185 HD12 LEU 23 HD12 LEU 23 -2.267 3.503 -2.894 186 HD13 LEU 23 HD13 LEU 23 -2.140 2.248 -1.664 187 HD21 LEU 23 HD21 LEU 23 -3.689 3.759 0.664 188 HD22 LEU 23 HD22 LEU 23 -3.850 2.076 0.160 189 HD23 LEU 23 HD23 LEU 23 -5.262 3.132 0.162 190 H GLY 24 HN GLY 24 -6.906 6.050 -3.670 191 HA2 GLY 24 HA2 GLY 24 -7.728 8.038 -4.543 192 HA3 GLY 24 HA1 GLY 24 -7.422 8.823 -2.997 193 H VAL 25 HN VAL 25 -5.314 7.072 -5.224 194 HA VAL 25 HA VAL 25 -3.538 9.368 -5.642 195 HB VAL 25 HB VAL 25 -1.533 8.143 -5.063 196 HG11 VAL 25 HG11 VAL 25 -2.739 9.194 -3.180 197 HG12 VAL 25 HG12 VAL 25 -1.774 7.811 -2.679 198 HG13 VAL 25 HG13 VAL 25 -3.521 7.644 -2.838 199 HG21 VAL 25 HG21 VAL 25 -3.243 5.677 -4.501 200 HG22 VAL 25 HG22 VAL 25 -1.514 5.816 -4.181 201 HG23 VAL 25 HG23 VAL 25 -2.105 5.874 -5.840 202 H ASN 26 HN ASN 26 -1.739 8.603 -7.225 203 HA ASN 26 HA ASN 26 -2.998 7.331 -9.552 204 HB2 ASN 26 HB2 ASN 26 -0.320 8.768 -9.220 205 HB3 ASN 26 HB1 ASN 26 -0.972 8.184 -10.751 206 HD21 ASN 26 HD21 ASN 26 -2.845 9.232 -11.609 207 HD22 ASN 26 HD22 ASN 26 -3.279 10.831 -11.126 208 H GLN 27 HN GLN 27 -1.809 5.676 -10.763 209 HA GLN 27 HA GLN 27 -0.720 3.563 -9.136 210 HB2 GLN 27 HB2 GLN 27 -0.806 3.807 -12.174 211 HB3 GLN 27 HB1 GLN 27 -0.394 2.347 -11.276 212 HG2 GLN 27 HG2 GLN 27 -2.666 2.314 -10.300 213 HG3 GLN 27 HG1 GLN 27 -3.075 3.755 -11.241 214 HE21 GLN 27 HE21 GLN 27 -3.278 3.558 -13.519 215 HE22 GLN 27 HE22 GLN 27 -3.471 2.023 -14.286 216 H SER 28 HN SER 28 0.643 6.261 -10.760 217 HA SER 28 HA SER 28 3.307 5.628 -11.157 218 HB2 SER 28 HB2 SER 28 3.777 8.012 -10.666 219 HB3 SER 28 HB1 SER 28 2.290 7.864 -11.606 220 HG SER 28 HG SER 28 2.339 9.260 -9.598 221 H ALA 29 HN ALA 29 1.633 6.433 -8.137 222 HA ALA 29 HA ALA 29 3.736 6.130 -6.261 223 HB1 ALA 29 HB1 ALA 29 1.528 7.094 -5.727 224 HB2 ALA 29 HB2 ALA 29 1.930 5.771 -4.641 225 HB3 ALA 29 HB3 ALA 29 0.769 5.511 -5.942 226 H ILE 30 HN ILE 30 1.250 3.716 -7.250 227 HA ILE 30 HA ILE 30 2.111 1.665 -5.534 228 HB ILE 30 HB ILE 30 0.666 1.266 -8.208 229 HG12 ILE 30 HG12 ILE 30 -0.555 2.924 -6.893 230 HG13 ILE 30 HG11 ILE 30 -1.456 1.417 -6.891 231 HG21 ILE 30 HG21 ILE 30 0.708 -0.520 -5.741 232 HG22 ILE 30 HG22 ILE 30 1.473 -0.860 -7.294 233 HG23 ILE 30 HG23 ILE 30 -0.283 -0.780 -7.179 234 HD11 ILE 30 HD11 ILE 30 -1.547 2.449 -4.715 235 HD12 ILE 30 HD12 ILE 30 0.212 2.521 -4.626 236 HD13 ILE 30 HD13 ILE 30 -0.611 0.959 -4.607 237 H SER 31 HN SER 31 2.723 1.971 -9.061 238 HA SER 31 HA SER 31 4.430 -0.231 -9.403 239 HB2 SER 31 HB2 SER 31 4.316 2.359 -11.016 240 HB3 SER 31 HB1 SER 31 5.021 0.833 -11.563 241 HG SER 31 HG SER 31 3.044 0.617 -12.318 242 H GLN 32 HN GLN 32 5.186 3.090 -8.348 243 HA GLN 32 HA GLN 32 8.038 2.905 -8.580 244 HB2 GLN 32 HB2 GLN 32 6.794 5.086 -8.301 245 HB3 GLN 32 HB1 GLN 32 6.465 4.655 -6.627 246 HG2 GLN 32 HG2 GLN 32 8.940 4.560 -6.226 247 HG3 GLN 32 HG1 GLN 32 9.197 5.145 -7.869 248 HE21 GLN 32 HE21 GLN 32 8.206 5.969 -4.648 249 HE22 GLN 32 HE22 GLN 32 8.142 7.677 -4.879 250 H MET 33 HN MET 33 5.780 2.428 -5.928 251 HA MET 33 HA MET 33 7.530 1.805 -3.813 252 HB2 MET 33 HB2 MET 33 4.680 0.841 -4.219 253 HB3 MET 33 HB1 MET 33 5.536 0.982 -2.688 254 HG2 MET 33 HG2 MET 33 5.491 3.424 -2.833 255 HG3 MET 33 HG1 MET 33 4.886 3.341 -4.463 256 HE1 MET 33 HE1 MET 33 4.099 2.126 -0.819 257 HE2 MET 33 HE2 MET 33 3.575 0.776 -1.837 258 HE3 MET 33 HE3 MET 33 2.379 1.733 -0.961 259 H VAL 34 HN VAL 34 5.947 -0.178 -6.246 260 HA VAL 34 HA VAL 34 6.714 -2.756 -5.358 261 HB VAL 34 HB VAL 34 5.839 -1.695 -8.090 262 HG11 VAL 34 HG11 VAL 34 6.171 -4.614 -7.314 263 HG12 VAL 34 HG12 VAL 34 7.168 -3.723 -8.465 264 HG13 VAL 34 HG13 VAL 34 5.466 -4.002 -8.817 265 HG21 VAL 34 HG21 VAL 34 4.316 -3.335 -6.017 266 HG22 VAL 34 HG22 VAL 34 3.679 -2.757 -7.559 267 HG23 VAL 34 HG23 VAL 34 4.125 -1.606 -6.306 268 H ARG 35 HN ARG 35 8.110 -0.669 -7.940 269 HA ARG 35 HA ARG 35 10.274 -2.442 -8.566 270 HB2 ARG 35 HB2 ARG 35 9.809 0.476 -9.275 271 HB3 ARG 35 HB1 ARG 35 11.146 -0.478 -9.912 272 HG2 ARG 35 HG2 ARG 35 9.548 -2.013 -10.999 273 HG3 ARG 35 HG1 ARG 35 8.201 -1.080 -10.342 274 HD2 ARG 35 HD2 ARG 35 10.275 -0.079 -12.321 275 HD3 ARG 35 HD1 ARG 35 8.600 -0.497 -12.682 276 HE ARG 35 HE ARG 35 8.864 1.550 -10.667 277 HH11 ARG 35 HH11 ARG 35 8.703 1.003 -14.156 278 HH12 ARG 35 HH12 ARG 35 8.159 2.615 -14.490 279 HH21 ARG 35 HH21 ARG 35 7.859 4.109 -12.794 280 HH22 ARG 35 HH22 ARG 35 8.170 3.653 -11.150 281 H ALA 36 HN ALA 36 9.874 -0.020 -6.154 282 HA ALA 36 HA ALA 36 12.592 0.729 -5.748 283 HB1 ALA 36 HB1 ALA 36 10.715 2.114 -4.963 284 HB2 ALA 36 HB2 ALA 36 11.795 1.704 -3.630 285 HB3 ALA 36 HB3 ALA 36 10.256 0.858 -3.811 286 H GLY 37 HN GLY 37 10.715 -2.040 -4.765 287 HA2 GLY 37 HA2 GLY 37 11.496 -4.079 -3.976 288 HA3 GLY 37 HA1 GLY 37 13.078 -3.366 -3.703 289 H ARG 38 HN ARG 38 10.859 -1.355 -2.294 290 HA ARG 38 HA ARG 38 11.279 -2.296 0.407 291 HB2 ARG 38 HB2 ARG 38 9.677 0.013 -0.788 292 HB3 ARG 38 HB1 ARG 38 9.602 -0.372 0.923 293 HG2 ARG 38 HG2 ARG 38 11.124 1.459 0.632 294 HG3 ARG 38 HG1 ARG 38 12.057 0.042 1.100 295 HD2 ARG 38 HD2 ARG 38 12.818 -0.260 -1.196 296 HD3 ARG 38 HD1 ARG 38 11.789 1.063 -1.749 297 HE ARG 38 HE ARG 38 13.575 1.930 0.277 298 HH11 ARG 38 HH11 ARG 38 13.530 1.145 -3.179 299 HH12 ARG 38 HH12 ARG 38 14.874 2.180 -3.545 300 HH21 ARG 38 HH21 ARG 38 15.890 3.382 -1.877 301 HH22 ARG 38 HH22 ARG 38 15.335 3.283 -0.234 302 H CYS 39 HN CYS 39 10.084 -4.002 1.175 303 HA CYS 39 HA CYS 39 7.655 -4.887 -0.084 304 HB2 CYS 39 HB2 CYS 39 8.843 -5.769 2.585 305 HB3 CYS 39 HB1 CYS 39 7.608 -6.623 1.660 306 HG CYS 39 HG CYS 39 10.321 -6.068 -0.170 307 H ILE 40 HN ILE 40 5.783 -3.860 0.166 308 HA ILE 40 HA ILE 40 5.329 -2.137 2.516 309 HB ILE 40 HB ILE 40 3.736 -2.180 -0.103 310 HG12 ILE 40 HG12 ILE 40 6.055 -1.632 -0.663 311 HG13 ILE 40 HG11 ILE 40 5.052 -0.200 -0.820 312 HG21 ILE 40 HG21 ILE 40 3.907 -0.077 2.078 313 HG22 ILE 40 HG22 ILE 40 2.554 -1.173 1.787 314 HG23 ILE 40 HG23 ILE 40 2.974 0.042 0.584 315 HD11 ILE 40 HD11 ILE 40 6.983 -0.834 1.404 316 HD12 ILE 40 HD12 ILE 40 5.900 0.562 1.396 317 HD13 ILE 40 HD13 ILE 40 7.149 0.402 0.157 318 H ASP 41 HN ASP 41 3.668 -2.574 3.928 319 HA ASP 41 HA ASP 41 1.894 -4.857 3.386 320 HB2 ASP 41 HB2 ASP 41 2.272 -3.256 5.955 321 HB3 ASP 41 HB1 ASP 41 1.215 -4.653 5.771 322 H ILE 42 HN ILE 42 -0.287 -4.673 3.296 323 HA ILE 42 HA ILE 42 -1.441 -1.984 2.938 324 HB ILE 42 HB ILE 42 -2.400 -4.678 1.821 325 HG12 ILE 42 HG12 ILE 42 -0.334 -3.927 0.689 326 HG13 ILE 42 HG11 ILE 42 -1.701 -3.759 -0.404 327 HG21 ILE 42 HG21 ILE 42 -3.480 -1.871 1.348 328 HG22 ILE 42 HG22 ILE 42 -4.282 -3.163 2.243 329 HG23 ILE 42 HG23 ILE 42 -4.013 -3.329 0.509 330 HD11 ILE 42 HD11 ILE 42 -0.357 -1.518 1.128 331 HD12 ILE 42 HD12 ILE 42 -1.749 -1.331 0.063 332 HD13 ILE 42 HD13 ILE 42 -0.201 -1.851 -0.597 333 H GLU 43 HN GLU 43 -2.509 -1.348 4.656 334 HA GLU 43 HA GLU 43 -3.201 -3.133 6.794 335 HB2 GLU 43 HB2 GLU 43 -3.483 -0.135 6.434 336 HB3 GLU 43 HB1 GLU 43 -4.068 -0.968 7.867 337 HG2 GLU 43 HG2 GLU 43 -1.897 0.011 8.311 338 HG3 GLU 43 HG1 GLU 43 -1.796 -1.743 8.378 339 H LEU 44 HN LEU 44 -4.832 -4.447 6.447 340 HA LEU 44 HA LEU 44 -7.310 -3.704 5.109 341 HB2 LEU 44 HB2 LEU 44 -6.045 -6.243 6.125 342 HB3 LEU 44 HB1 LEU 44 -7.789 -6.222 6.034 343 HG LEU 44 HG LEU 44 -6.680 -7.277 4.063 344 HD11 LEU 44 HD11 LEU 44 -8.381 -4.848 3.440 345 HD12 LEU 44 HD12 LEU 44 -8.952 -6.467 3.839 346 HD13 LEU 44 HD13 LEU 44 -8.073 -6.194 2.337 347 HD21 LEU 44 HD21 LEU 44 -4.710 -5.794 3.896 348 HD22 LEU 44 HD22 LEU 44 -5.750 -4.482 3.333 349 HD23 LEU 44 HD23 LEU 44 -5.572 -5.952 2.366 350 H TYR 45 HN TYR 45 -8.533 -2.369 6.343 351 HA TYR 45 HA TYR 45 -8.904 -2.523 9.171 352 HB2 TYR 45 HB2 TYR 45 -10.396 -1.013 6.988 353 HB3 TYR 45 HB1 TYR 45 -10.724 -0.805 8.705 354 HD1 TYR 45 HD1 TYR 45 -9.119 0.405 10.154 355 HD2 TYR 45 HD2 TYR 45 -8.262 -0.164 6.004 356 HE1 TYR 45 HE1 TYR 45 -7.276 2.022 10.311 357 HE2 TYR 45 HE2 TYR 45 -6.423 1.462 6.165 358 HH TYR 45 HH TYR 45 -5.732 3.355 7.597 359 H THR 46 HN THR 46 -11.205 -2.628 10.091 360 HA THR 46 HA THR 46 -11.881 -5.362 10.026 361 HB THR 46 HB THR 46 -13.429 -3.067 11.313 362 HG1 THR 46 HG1 THR 46 -11.122 -3.362 11.860 363 HG21 THR 46 HG21 THR 46 -13.411 -6.041 12.002 364 HG22 THR 46 HG22 THR 46 -14.757 -5.165 11.275 365 HG23 THR 46 HG23 THR 46 -14.241 -4.776 12.914 366 H ASP 47 HN ASP 47 -13.534 -2.536 8.705 367 HA ASP 47 HA ASP 47 -15.889 -3.883 7.784 368 HB2 ASP 47 HB2 ASP 47 -16.430 -1.775 6.686 369 HB3 ASP 47 HB1 ASP 47 -15.787 -1.435 8.287 370 H GLY 48 HN GLY 48 -12.694 -3.549 6.558 371 HA2 GLY 48 HA2 GLY 48 -11.972 -5.139 4.855 372 HA3 GLY 48 HA1 GLY 48 -13.433 -4.762 3.953 373 H ARG 49 HN ARG 49 -12.510 -1.826 5.104 374 HA ARG 49 HA ARG 49 -11.544 -0.850 2.622 375 HB2 ARG 49 HB2 ARG 49 -12.763 0.535 4.308 376 HB3 ARG 49 HB1 ARG 49 -11.371 0.449 5.376 377 HG2 ARG 49 HG2 ARG 49 -10.008 1.671 3.719 378 HG3 ARG 49 HG1 ARG 49 -11.395 1.744 2.628 379 HD2 ARG 49 HD2 ARG 49 -11.061 3.862 3.859 380 HD3 ARG 49 HD1 ARG 49 -12.620 3.124 4.241 381 HE ARG 49 HE ARG 49 -11.686 2.364 6.342 382 HH11 ARG 49 HH11 ARG 49 -8.996 5.338 6.154 383 HH12 ARG 49 HH12 ARG 49 -9.800 4.836 4.703 384 HH21 ARG 49 HH21 ARG 49 -9.457 4.305 8.133 385 HH22 ARG 49 HH22 ARG 49 -10.611 3.017 8.203 386 H VAL 50 HN VAL 50 -9.417 -0.001 2.079 387 HA VAL 50 HA VAL 50 -7.187 -1.107 3.685 388 HB VAL 50 HB VAL 50 -5.952 -1.697 1.686 389 HG11 VAL 50 HG11 VAL 50 -8.761 -2.823 1.522 390 HG12 VAL 50 HG12 VAL 50 -7.462 -3.400 2.569 391 HG13 VAL 50 HG13 VAL 50 -7.313 -3.548 0.819 392 HG21 VAL 50 HG21 VAL 50 -6.874 -1.560 -0.603 393 HG22 VAL 50 HG22 VAL 50 -6.705 0.042 0.114 394 HG23 VAL 50 HG23 VAL 50 -8.296 -0.713 0.011 395 H GLU 51 HN GLU 51 -5.728 0.361 4.287 396 HA GLU 51 HA GLU 51 -5.061 2.565 2.426 397 HB2 GLU 51 HB2 GLU 51 -5.114 2.769 5.470 398 HB3 GLU 51 HB1 GLU 51 -4.353 3.952 4.410 399 HG2 GLU 51 HG2 GLU 51 -6.590 4.358 3.359 400 HG3 GLU 51 HG1 GLU 51 -7.304 3.299 4.572 401 H CYS 52 HN CYS 52 -2.886 2.873 2.115 402 HA CYS 52 HA CYS 52 -1.001 1.016 3.379 403 HB2 CYS 52 HB2 CYS 52 -0.880 1.039 0.964 404 HB3 CYS 52 HB1 CYS 52 -0.792 2.801 0.927 405 HG CYS 52 HG CYS 52 1.631 1.070 2.549 406 H ARG 53 HN ARG 53 -0.009 1.778 5.153 407 HA ARG 53 HA ARG 53 -0.077 4.461 6.084 408 HB2 ARG 53 HB2 ARG 53 0.146 2.213 7.405 409 HB3 ARG 53 HB1 ARG 53 1.864 2.308 7.066 410 HG2 ARG 53 HG2 ARG 53 0.277 4.391 8.611 411 HG3 ARG 53 HG1 ARG 53 1.203 3.087 9.346 412 HD2 ARG 53 HD2 ARG 53 2.262 5.463 7.789 413 HD3 ARG 53 HD1 ARG 53 2.528 5.070 9.492 414 HE ARG 53 HE ARG 53 3.580 2.923 8.294 415 HH11 ARG 53 HH11 ARG 53 5.731 6.107 7.074 416 HH12 ARG 53 HH12 ARG 53 4.115 6.344 7.656 417 HH21 ARG 53 HH21 ARG 53 6.617 3.987 6.954 418 HH22 ARG 53 HH22 ARG 53 5.677 2.615 7.444 419 H GLU 54 HN GLU 54 2.373 2.494 4.480 420 HA GLU 54 HA GLU 54 4.553 4.247 4.522 421 HB2 GLU 54 HB2 GLU 54 4.684 1.835 3.913 422 HB3 GLU 54 HB1 GLU 54 3.885 2.193 2.386 423 HG2 GLU 54 HG2 GLU 54 6.295 1.986 2.078 424 HG3 GLU 54 HG1 GLU 54 5.764 3.622 1.710 425 H LEU 55 HN LEU 55 1.798 4.005 2.356 426 HA LEU 55 HA LEU 55 2.713 5.853 0.388 427 HB2 LEU 55 HB2 LEU 55 0.884 4.039 0.104 428 HB3 LEU 55 HB1 LEU 55 -0.204 5.137 0.927 429 HG LEU 55 HG LEU 55 -0.518 5.229 -1.519 430 HD11 LEU 55 HD11 LEU 55 -0.347 7.628 -1.954 431 HD12 LEU 55 HD12 LEU 55 0.708 7.828 -0.556 432 HD13 LEU 55 HD13 LEU 55 -0.966 7.319 -0.333 433 HD21 LEU 55 HD21 LEU 55 1.234 6.036 -3.029 434 HD22 LEU 55 HD22 LEU 55 1.708 4.549 -2.217 435 HD23 LEU 55 HD23 LEU 55 2.379 6.093 -1.686 436 H ARG 56 HN ARG 56 3.403 7.576 1.671 437 HA ARG 56 HA ARG 56 1.236 9.478 2.323 438 HB2 ARG 56 HB2 ARG 56 4.252 9.935 2.276 439 HB3 ARG 56 HB1 ARG 56 3.031 11.045 2.880 440 HG2 ARG 56 HG2 ARG 56 2.471 9.060 4.537 441 HG3 ARG 56 HG1 ARG 56 4.101 8.532 4.127 442 HD2 ARG 56 HD2 ARG 56 3.211 11.012 5.574 443 HD3 ARG 56 HD1 ARG 56 4.445 9.842 6.040 444 HE ARG 56 HE ARG 56 4.757 11.885 3.907 445 HH11 ARG 56 HH11 ARG 56 6.223 9.931 6.460 446 HH12 ARG 56 HH12 ARG 56 7.789 10.651 6.253 447 HH21 ARG 56 HH21 ARG 56 6.786 12.830 3.689 448 HH22 ARG 56 HH22 ARG 56 8.109 12.295 4.684 449 HA PRO 57 HA PRO 57 1.126 11.046 -1.926 450 HB2 PRO 57 HB2 PRO 57 1.390 13.848 -0.875 451 HB3 PRO 57 HB1 PRO 57 0.111 13.128 -1.872 452 HG2 PRO 57 HG2 PRO 57 -0.332 13.663 0.695 453 HG3 PRO 57 HG1 PRO 57 -0.987 12.192 -0.058 454 HD2 PRO 57 HD2 PRO 57 1.395 12.479 1.754 455 HD3 PRO 57 HD1 PRO 57 0.143 11.215 1.723 456 H ASP 58 HN ASP 58 3.744 11.799 0.145 457 HA ASP 58 HA ASP 58 5.516 13.390 -1.310 458 HB2 ASP 58 HB2 ASP 58 6.164 11.145 0.658 459 HB3 ASP 58 HB1 ASP 58 7.276 12.416 0.161 460 H VAL 59 HN VAL 59 4.788 10.031 -1.517 461 HA VAL 59 HA VAL 59 6.903 8.790 -2.725 462 HB VAL 59 HB VAL 59 3.894 8.422 -3.092 463 HG11 VAL 59 HG11 VAL 59 6.117 6.506 -3.994 464 HG12 VAL 59 HG12 VAL 59 4.994 7.368 -5.045 465 HG13 VAL 59 HG13 VAL 59 4.394 6.115 -3.962 466 HG21 VAL 59 HG21 VAL 59 4.216 6.537 -1.500 467 HG22 VAL 59 HG22 VAL 59 4.767 8.060 -0.804 468 HG23 VAL 59 HG23 VAL 59 5.944 6.892 -1.408 469 H PHE 60 HN PHE 60 4.256 10.497 -4.457 470 HA PHE 60 HA PHE 60 5.929 10.518 -6.895 471 HB2 PHE 60 HB2 PHE 60 3.823 10.619 -8.224 472 HB3 PHE 60 HB1 PHE 60 4.014 9.129 -7.320 473 HD1 PHE 60 HD1 PHE 60 2.820 9.110 -4.944 474 HD2 PHE 60 HD2 PHE 60 1.715 11.645 -8.194 475 HE1 PHE 60 HE1 PHE 60 0.543 9.313 -4.016 476 HE2 PHE 60 HE2 PHE 60 -0.554 11.855 -7.263 477 HZ PHE 60 HZ PHE 60 -1.137 10.689 -5.171 478 H GLY 61 HN GLY 61 5.939 12.416 -4.670 479 HA2 GLY 61 HA2 GLY 61 6.489 14.638 -4.487 480 HA3 GLY 61 HA1 GLY 61 6.330 14.757 -6.231 481 H ALA 62 HN ALA 62 3.609 13.609 -4.482 482 HA ALA 62 HA ALA 62 1.932 15.796 -5.341 483 HB1 ALA 62 HB1 ALA 62 0.115 14.381 -4.321 484 HB2 ALA 62 HB2 ALA 62 1.361 13.244 -3.776 485 HB3 ALA 62 HB3 ALA 62 1.106 13.511 -5.499 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -6.296 -2.231 13.918 2 H2 MET 1 HT2 MET 1 -5.196 -3.333 14.572 3 H3 MET 1 HT3 MET 1 -6.490 -3.891 13.644 4 HA MET 1 HA MET 1 -5.640 -2.867 11.701 5 HB2 MET 1 HB2 MET 1 -3.400 -1.776 11.707 6 HB3 MET 1 HB1 MET 1 -4.564 -0.899 12.684 7 HG2 MET 1 HG2 MET 1 -3.543 -1.766 14.735 8 HG3 MET 1 HG1 MET 1 -2.415 -2.740 13.785 9 HE1 MET 1 HE1 MET 1 -1.250 -0.855 16.034 10 HE2 MET 1 HE2 MET 1 0.075 -0.095 15.149 11 HE3 MET 1 HE3 MET 1 -0.276 -1.809 14.920 12 H LYS 2 HN LYS 2 -5.303 -4.777 10.693 13 HA LYS 2 HA LYS 2 -3.016 -6.465 11.491 14 HB2 LYS 2 HB2 LYS 2 -3.910 -8.139 9.933 15 HB3 LYS 2 HB1 LYS 2 -5.128 -7.661 11.105 16 HG2 LYS 2 HG2 LYS 2 -6.282 -6.313 9.449 17 HG3 LYS 2 HG1 LYS 2 -5.014 -6.611 8.260 18 HD2 LYS 2 HD2 LYS 2 -6.820 -8.750 9.463 19 HD3 LYS 2 HD1 LYS 2 -7.047 -8.007 7.878 20 HE2 LYS 2 HE2 LYS 2 -4.981 -8.968 7.055 21 HE3 LYS 2 HE1 LYS 2 -4.543 -9.539 8.668 22 HZ1 LYS 2 HZ1 LYS 2 -5.417 -11.311 7.273 23 HZ2 LYS 2 HZ2 LYS 2 -6.872 -10.474 7.088 24 HZ3 LYS 2 HZ3 LYS 2 -6.419 -11.043 8.612 25 H LYS 3 HN LYS 3 -1.472 -7.072 9.851 26 HA LYS 3 HA LYS 3 -1.087 -5.035 7.717 27 HB2 LYS 3 HB2 LYS 3 0.989 -6.674 9.240 28 HB3 LYS 3 HB1 LYS 3 1.353 -5.583 7.906 29 HG2 LYS 3 HG2 LYS 3 0.560 -3.665 9.255 30 HG3 LYS 3 HG1 LYS 3 0.193 -4.763 10.591 31 HD2 LYS 3 HD2 LYS 3 2.571 -5.373 10.782 32 HD3 LYS 3 HD1 LYS 3 2.963 -4.356 9.392 33 HE2 LYS 3 HE2 LYS 3 2.265 -2.357 10.655 34 HE3 LYS 3 HE1 LYS 3 1.847 -3.372 12.038 35 HZ1 LYS 3 HZ1 LYS 3 4.012 -2.322 12.271 36 HZ2 LYS 3 HZ2 LYS 3 4.569 -3.111 10.882 37 HZ3 LYS 3 HZ3 LYS 3 4.144 -4.007 12.253 38 H ILE 4 HN ILE 4 -0.846 -5.727 5.689 39 HA ILE 4 HA ILE 4 -0.507 -8.611 5.107 40 HB ILE 4 HB ILE 4 -1.917 -6.481 3.472 41 HG12 ILE 4 HG12 ILE 4 -2.967 -8.864 5.033 42 HG13 ILE 4 HG11 ILE 4 -3.443 -7.175 5.183 43 HG21 ILE 4 HG21 ILE 4 -0.699 -8.024 1.973 44 HG22 ILE 4 HG22 ILE 4 -2.447 -8.110 1.763 45 HG23 ILE 4 HG23 ILE 4 -1.597 -9.376 2.668 46 HD11 ILE 4 HD11 ILE 4 -4.401 -7.349 2.867 47 HD12 ILE 4 HD12 ILE 4 -5.204 -8.314 4.115 48 HD13 ILE 4 HD13 ILE 4 -4.106 -9.089 2.972 49 HA PRO 5 HA PRO 5 3.373 -7.286 3.100 50 HB2 PRO 5 HB2 PRO 5 3.132 -9.865 1.581 51 HB3 PRO 5 HB1 PRO 5 4.413 -9.339 2.695 52 HG2 PRO 5 HG2 PRO 5 2.680 -11.276 3.383 53 HG3 PRO 5 HG1 PRO 5 3.299 -10.113 4.582 54 HD2 PRO 5 HD2 PRO 5 0.633 -10.098 3.149 55 HD3 PRO 5 HD1 PRO 5 0.981 -9.801 4.863 56 H LEU 6 HN LEU 6 3.746 -6.243 1.123 57 HA LEU 6 HA LEU 6 1.638 -5.221 -0.298 58 HB2 LEU 6 HB2 LEU 6 3.883 -4.218 -0.239 59 HB3 LEU 6 HB1 LEU 6 4.512 -5.525 -1.224 60 HG LEU 6 HG LEU 6 3.066 -4.773 -3.118 61 HD11 LEU 6 HD11 LEU 6 1.971 -2.575 -3.055 62 HD12 LEU 6 HD12 LEU 6 2.352 -2.421 -1.338 63 HD13 LEU 6 HD13 LEU 6 1.258 -3.691 -1.892 64 HD21 LEU 6 HD21 LEU 6 5.396 -4.038 -3.007 65 HD22 LEU 6 HD22 LEU 6 4.931 -2.634 -2.049 66 HD23 LEU 6 HD23 LEU 6 4.380 -2.786 -3.716 67 H SER 7 HN SER 7 3.755 -7.928 -1.272 68 HA SER 7 HA SER 7 2.696 -8.487 -3.797 69 HB2 SER 7 HB2 SER 7 3.880 -10.489 -1.829 70 HB3 SER 7 HB1 SER 7 3.740 -10.702 -3.577 71 HG SER 7 HG SER 7 5.366 -9.383 -3.889 72 H LYS 8 HN LYS 8 1.792 -9.905 -0.628 73 HA LYS 8 HA LYS 8 -0.216 -11.677 -1.576 74 HB2 LYS 8 HB2 LYS 8 0.270 -10.509 1.193 75 HB3 LYS 8 HB1 LYS 8 -0.946 -11.740 0.870 76 HG2 LYS 8 HG2 LYS 8 2.024 -12.092 0.357 77 HG3 LYS 8 HG1 LYS 8 1.180 -12.649 1.805 78 HD2 LYS 8 HD2 LYS 8 -0.278 -14.088 0.367 79 HD3 LYS 8 HD1 LYS 8 0.641 -13.569 -1.049 80 HE2 LYS 8 HE2 LYS 8 2.664 -14.615 -0.160 81 HE3 LYS 8 HE1 LYS 8 1.821 -15.043 1.331 82 HZ1 LYS 8 HZ1 LYS 8 0.381 -16.503 0.075 83 HZ2 LYS 8 HZ2 LYS 8 1.996 -16.908 -0.205 84 HZ3 LYS 8 HZ3 LYS 8 1.130 -16.059 -1.378 85 H TYR 9 HN TYR 9 -0.297 -8.294 -0.712 86 HA TYR 9 HA TYR 9 -3.144 -8.026 -0.598 87 HB2 TYR 9 HB2 TYR 9 -1.688 -6.374 0.491 88 HB3 TYR 9 HB1 TYR 9 -0.981 -5.929 -1.044 89 HD1 TYR 9 HD1 TYR 9 -4.025 -5.760 1.030 90 HD2 TYR 9 HD2 TYR 9 -2.175 -4.405 -2.582 91 HE1 TYR 9 HE1 TYR 9 -5.789 -4.125 0.734 92 HE2 TYR 9 HE2 TYR 9 -3.960 -2.750 -2.873 93 HH TYR 9 HH TYR 9 -6.176 -2.002 -0.419 94 H LEU 10 HN LEU 10 -0.676 -7.412 -3.093 95 HA LEU 10 HA LEU 10 -2.416 -6.454 -5.122 96 HB2 LEU 10 HB2 LEU 10 0.328 -7.728 -5.439 97 HB3 LEU 10 HB1 LEU 10 -0.496 -6.753 -6.646 98 HG LEU 10 HG LEU 10 0.518 -5.745 -3.960 99 HD11 LEU 10 HD11 LEU 10 1.666 -5.259 -6.719 100 HD12 LEU 10 HD12 LEU 10 2.368 -6.273 -5.455 101 HD13 LEU 10 HD13 LEU 10 2.235 -4.532 -5.212 102 HD21 LEU 10 HD21 LEU 10 -0.767 -4.171 -6.208 103 HD22 LEU 10 HD22 LEU 10 -0.012 -3.479 -4.772 104 HD23 LEU 10 HD23 LEU 10 -1.454 -4.480 -4.610 105 H GLU 11 HN GLU 11 -1.562 -9.640 -4.053 106 HA GLU 11 HA GLU 11 -2.544 -11.035 -6.400 107 HB2 GLU 11 HB2 GLU 11 -1.581 -12.030 -3.686 108 HB3 GLU 11 HB1 GLU 11 -2.133 -13.096 -4.969 109 HG2 GLU 11 HG2 GLU 11 0.235 -11.218 -5.159 110 HG3 GLU 11 HG1 GLU 11 0.324 -12.958 -4.887 111 H GLU 12 HN GLU 12 -3.635 -10.573 -3.011 112 HA GLU 12 HA GLU 12 -5.978 -12.293 -3.595 113 HB2 GLU 12 HB2 GLU 12 -4.340 -12.059 -1.041 114 HB3 GLU 12 HB1 GLU 12 -5.834 -12.981 -1.171 115 HG2 GLU 12 HG2 GLU 12 -4.793 -14.479 -2.813 116 HG3 GLU 12 HG1 GLU 12 -3.311 -13.531 -2.757 117 H HIS 13 HN HIS 13 -5.479 -9.063 -3.127 118 HA HIS 13 HA HIS 13 -7.961 -8.752 -1.559 119 HB2 HIS 13 HB2 HIS 13 -5.246 -7.899 -0.682 120 HB3 HIS 13 HB1 HIS 13 -6.479 -6.656 -0.510 121 HD1 HIS 13 HD1 HIS 13 -7.832 -6.778 1.565 122 HD2 HIS 13 HD2 HIS 13 -6.046 -10.425 0.671 123 HE1 HIS 13 HE1 HIS 13 -8.417 -8.301 3.462 124 HE2 HIS 13 HE2 HIS 13 -7.454 -10.528 2.836 125 H GLY 14 HN GLY 14 -5.545 -7.002 -3.493 126 HA2 GLY 14 HA2 GLY 14 -7.595 -5.666 -5.020 127 HA3 GLY 14 HA1 GLY 14 -6.714 -4.599 -3.925 128 H THR 15 HN THR 15 -6.551 -4.012 -6.525 129 HA THR 15 HA THR 15 -4.040 -5.086 -7.617 130 HB THR 15 HB THR 15 -4.583 -3.545 -9.572 131 HG1 THR 15 HG1 THR 15 -7.206 -3.262 -8.626 132 HG21 THR 15 HG21 THR 15 -6.773 -5.525 -8.841 133 HG22 THR 15 HG22 THR 15 -5.247 -5.927 -9.631 134 HG23 THR 15 HG23 THR 15 -6.429 -4.916 -10.462 135 H GLN 16 HN GLN 16 -2.637 -3.260 -8.658 136 HA GLN 16 HA GLN 16 -1.581 -1.608 -6.576 137 HB2 GLN 16 HB2 GLN 16 -0.902 -1.380 -9.535 138 HB3 GLN 16 HB1 GLN 16 0.113 -0.965 -8.157 139 HG2 GLN 16 HG2 GLN 16 0.024 -3.478 -7.574 140 HG3 GLN 16 HG1 GLN 16 -0.610 -3.708 -9.196 141 HE21 GLN 16 HE21 GLN 16 2.157 -2.895 -7.302 142 HE22 GLN 16 HE22 GLN 16 3.308 -2.984 -8.575 143 H SER 17 HN SER 17 -3.547 -1.105 -9.437 144 HA SER 17 HA SER 17 -3.923 1.671 -9.427 145 HB2 SER 17 HB2 SER 17 -5.856 -0.547 -10.234 146 HB3 SER 17 HB1 SER 17 -6.009 1.154 -10.699 147 HG SER 17 HG SER 17 -4.516 0.892 -12.163 148 H ALA 18 HN ALA 18 -5.666 -0.943 -7.783 149 HA ALA 18 HA ALA 18 -7.723 0.557 -6.563 150 HB1 ALA 18 HB1 ALA 18 -8.083 -1.400 -5.144 151 HB2 ALA 18 HB2 ALA 18 -6.513 -2.060 -5.611 152 HB3 ALA 18 HB3 ALA 18 -7.801 -1.903 -6.813 153 H LEU 19 HN LEU 19 -4.485 -0.346 -5.537 154 HA LEU 19 HA LEU 19 -4.743 0.427 -2.823 155 HB2 LEU 19 HB2 LEU 19 -2.997 -1.148 -3.616 156 HB3 LEU 19 HB1 LEU 19 -2.213 0.153 -4.500 157 HG LEU 19 HG LEU 19 -1.665 1.298 -2.372 158 HD11 LEU 19 HD11 LEU 19 -3.554 0.614 -0.981 159 HD12 LEU 19 HD12 LEU 19 -2.034 0.231 -0.180 160 HD13 LEU 19 HD13 LEU 19 -2.967 -1.054 -0.951 161 HD21 LEU 19 HD21 LEU 19 -0.025 -0.274 -3.292 162 HD22 LEU 19 HD22 LEU 19 -0.756 -1.605 -2.392 163 HD23 LEU 19 HD23 LEU 19 0.032 -0.281 -1.531 164 H ALA 20 HN ALA 20 -3.304 2.023 -5.669 165 HA ALA 20 HA ALA 20 -2.623 4.532 -4.597 166 HB1 ALA 20 HB1 ALA 20 -1.903 3.739 -6.823 167 HB2 ALA 20 HB2 ALA 20 -2.662 5.326 -6.931 168 HB3 ALA 20 HB3 ALA 20 -3.555 3.883 -7.426 169 H ALA 21 HN ALA 21 -5.708 3.380 -5.968 170 HA ALA 21 HA ALA 21 -7.140 5.826 -5.944 171 HB1 ALA 21 HB1 ALA 21 -9.147 4.422 -6.205 172 HB2 ALA 21 HB2 ALA 21 -8.214 2.988 -5.763 173 HB3 ALA 21 HB3 ALA 21 -7.843 3.857 -7.250 174 H ALA 22 HN ALA 22 -6.647 3.320 -3.522 175 HA ALA 22 HA ALA 22 -8.556 4.245 -1.587 176 HB1 ALA 22 HB1 ALA 22 -7.782 1.902 -1.690 177 HB2 ALA 22 HB2 ALA 22 -7.512 2.609 -0.096 178 HB3 ALA 22 HB3 ALA 22 -6.160 2.418 -1.219 179 H LEU 23 HN LEU 23 -5.165 4.825 -2.240 180 HA LEU 23 HA LEU 23 -4.671 6.344 0.192 181 HB2 LEU 23 HB2 LEU 23 -2.942 6.000 -2.289 182 HB3 LEU 23 HB1 LEU 23 -2.417 6.659 -0.746 183 HG LEU 23 HG LEU 23 -3.284 3.788 -1.234 184 HD11 LEU 23 HD11 LEU 23 -0.503 4.885 -0.766 185 HD12 LEU 23 HD12 LEU 23 -1.143 4.277 -2.294 186 HD13 LEU 23 HD13 LEU 23 -0.938 3.181 -0.930 187 HD21 LEU 23 HD21 LEU 23 -3.882 4.436 1.013 188 HD22 LEU 23 HD22 LEU 23 -2.265 5.082 1.305 189 HD23 LEU 23 HD23 LEU 23 -2.494 3.347 1.074 190 H GLY 24 HN GLY 24 -5.908 6.941 -2.948 191 HA2 GLY 24 HA2 GLY 24 -6.717 8.838 -3.967 192 HA3 GLY 24 HA1 GLY 24 -6.234 9.774 -2.557 193 H VAL 25 HN VAL 25 -3.946 7.742 -4.202 194 HA VAL 25 HA VAL 25 -2.394 10.099 -5.098 195 HB VAL 25 HB VAL 25 -0.378 8.934 -4.499 196 HG11 VAL 25 HG11 VAL 25 -2.356 8.524 -2.247 197 HG12 VAL 25 HG12 VAL 25 -1.515 10.033 -2.619 198 HG13 VAL 25 HG13 VAL 25 -0.604 8.625 -2.077 199 HG21 VAL 25 HG21 VAL 25 -0.306 6.623 -3.559 200 HG22 VAL 25 HG22 VAL 25 -0.912 6.638 -5.215 201 HG23 VAL 25 HG23 VAL 25 -2.038 6.454 -3.869 202 H ASN 26 HN ASN 26 -0.619 9.331 -6.715 203 HA ASN 26 HA ASN 26 -1.868 8.061 -9.011 204 HB2 ASN 26 HB2 ASN 26 0.914 9.233 -8.567 205 HB3 ASN 26 HB1 ASN 26 0.402 8.512 -10.092 206 HD21 ASN 26 HD21 ASN 26 -1.087 9.614 -11.384 207 HD22 ASN 26 HD22 ASN 26 -1.512 11.265 -11.101 208 H GLN 27 HN GLN 27 -1.110 6.227 -10.058 209 HA GLN 27 HA GLN 27 -0.243 3.998 -8.487 210 HB2 GLN 27 HB2 GLN 27 -0.446 4.269 -11.527 211 HB3 GLN 27 HB1 GLN 27 -0.290 2.755 -10.637 212 HG2 GLN 27 HG2 GLN 27 -2.473 3.055 -9.621 213 HG3 GLN 27 HG1 GLN 27 -2.629 4.659 -10.340 214 HE21 GLN 27 HE21 GLN 27 -4.540 4.090 -11.433 215 HE22 GLN 27 HE22 GLN 27 -4.537 3.035 -12.800 216 H SER 28 HN SER 28 1.429 6.448 -10.245 217 HA SER 28 HA SER 28 3.858 5.267 -10.915 218 HB2 SER 28 HB2 SER 28 3.453 8.114 -9.908 219 HB3 SER 28 HB1 SER 28 4.782 7.533 -10.915 220 HG SER 28 HG SER 28 2.717 8.586 -11.850 221 H ALA 29 HN ALA 29 2.681 6.451 -7.802 222 HA ALA 29 HA ALA 29 5.014 6.083 -6.192 223 HB1 ALA 29 HB1 ALA 29 2.075 5.832 -5.441 224 HB2 ALA 29 HB2 ALA 29 3.060 7.292 -5.350 225 HB3 ALA 29 HB3 ALA 29 3.434 5.923 -4.310 226 H ILE 30 HN ILE 30 2.190 3.919 -6.752 227 HA ILE 30 HA ILE 30 3.092 1.877 -5.036 228 HB ILE 30 HB ILE 30 1.220 1.411 -7.418 229 HG12 ILE 30 HG12 ILE 30 0.394 3.396 -6.239 230 HG13 ILE 30 HG11 ILE 30 -0.664 2.040 -5.881 231 HG21 ILE 30 HG21 ILE 30 1.413 0.027 -4.705 232 HG22 ILE 30 HG22 ILE 30 1.905 -0.651 -6.260 233 HG23 ILE 30 HG23 ILE 30 0.204 -0.314 -5.942 234 HD11 ILE 30 HD11 ILE 30 -0.327 3.377 -3.912 235 HD12 ILE 30 HD12 ILE 30 1.424 3.229 -4.051 236 HD13 ILE 30 HD13 ILE 30 0.444 1.809 -3.677 237 H SER 31 HN SER 31 3.501 2.308 -8.527 238 HA SER 31 HA SER 31 4.853 -0.109 -9.125 239 HB2 SER 31 HB2 SER 31 5.048 2.588 -10.548 240 HB3 SER 31 HB1 SER 31 5.498 1.020 -11.221 241 HG SER 31 HG SER 31 3.164 2.144 -11.349 242 H GLN 32 HN GLN 32 6.046 3.148 -8.223 243 HA GLN 32 HA GLN 32 8.833 2.683 -8.401 244 HB2 GLN 32 HB2 GLN 32 7.866 4.941 -8.262 245 HB3 GLN 32 HB1 GLN 32 7.251 4.620 -6.645 246 HG2 GLN 32 HG2 GLN 32 9.656 4.381 -5.882 247 HG3 GLN 32 HG1 GLN 32 10.152 4.947 -7.477 248 HE21 GLN 32 HE21 GLN 32 8.564 5.828 -4.492 249 HE22 GLN 32 HE22 GLN 32 8.642 7.540 -4.720 250 H MET 33 HN MET 33 6.538 2.205 -5.796 251 HA MET 33 HA MET 33 8.316 1.586 -3.651 252 HB2 MET 33 HB2 MET 33 5.398 0.798 -4.031 253 HB3 MET 33 HB1 MET 33 6.272 0.850 -2.501 254 HG2 MET 33 HG2 MET 33 6.420 3.311 -2.641 255 HG3 MET 33 HG1 MET 33 5.745 3.277 -4.243 256 HE1 MET 33 HE1 MET 33 5.064 2.146 -0.594 257 HE2 MET 33 HE2 MET 33 4.341 0.838 -1.541 258 HE3 MET 33 HE3 MET 33 3.314 1.920 -0.606 259 H VAL 34 HN VAL 34 6.593 -0.305 -6.059 260 HA VAL 34 HA VAL 34 7.385 -2.920 -5.238 261 HB VAL 34 HB VAL 34 6.122 -1.731 -7.738 262 HG11 VAL 34 HG11 VAL 34 6.837 -4.673 -7.469 263 HG12 VAL 34 HG12 VAL 34 7.547 -3.530 -8.611 264 HG13 VAL 34 HG13 VAL 34 5.842 -3.953 -8.741 265 HG21 VAL 34 HG21 VAL 34 5.105 -3.757 -5.705 266 HG22 VAL 34 HG22 VAL 34 4.183 -3.104 -7.059 267 HG23 VAL 34 HG23 VAL 34 4.699 -2.039 -5.754 268 H ARG 35 HN ARG 35 8.675 -0.602 -7.637 269 HA ARG 35 HA ARG 35 10.636 -2.383 -8.753 270 HB2 ARG 35 HB2 ARG 35 10.334 0.641 -8.936 271 HB3 ARG 35 HB1 ARG 35 11.575 -0.263 -9.797 272 HG2 ARG 35 HG2 ARG 35 9.807 -1.489 -11.043 273 HG3 ARG 35 HG1 ARG 35 8.579 -0.553 -10.186 274 HD2 ARG 35 HD2 ARG 35 10.698 0.562 -12.058 275 HD3 ARG 35 HD1 ARG 35 8.979 0.394 -12.410 276 HE ARG 35 HE ARG 35 8.516 2.111 -10.767 277 HH11 ARG 35 HH11 ARG 35 11.903 1.867 -11.698 278 HH12 ARG 35 HH12 ARG 35 12.270 3.483 -11.201 279 HH21 ARG 35 HH21 ARG 35 9.032 4.223 -10.121 280 HH22 ARG 35 HH22 ARG 35 10.650 4.816 -10.312 281 H ALA 36 HN ALA 36 10.557 -0.198 -6.052 282 HA ALA 36 HA ALA 36 13.350 0.135 -5.613 283 HB1 ALA 36 HB1 ALA 36 11.674 1.633 -4.602 284 HB2 ALA 36 HB2 ALA 36 12.691 0.907 -3.358 285 HB3 ALA 36 HB3 ALA 36 11.052 0.302 -3.622 286 H GLY 37 HN GLY 37 11.327 -2.591 -5.275 287 HA2 GLY 37 HA2 GLY 37 11.675 -4.731 -4.497 288 HA3 GLY 37 HA1 GLY 37 13.341 -4.283 -4.138 289 H ARG 38 HN ARG 38 10.783 -2.355 -2.867 290 HA ARG 38 HA ARG 38 11.427 -3.154 -0.106 291 HB2 ARG 38 HB2 ARG 38 11.841 -0.790 -0.730 292 HB3 ARG 38 HB1 ARG 38 10.186 -0.609 -1.279 293 HG2 ARG 38 HG2 ARG 38 10.619 0.494 0.891 294 HG3 ARG 38 HG1 ARG 38 9.357 -0.728 0.994 295 HD2 ARG 38 HD2 ARG 38 12.193 -1.447 1.745 296 HD3 ARG 38 HD1 ARG 38 11.183 -0.548 2.879 297 HE ARG 38 HE ARG 38 9.553 -2.536 2.347 298 HH11 ARG 38 HH11 ARG 38 12.889 -4.319 3.696 299 HH12 ARG 38 HH12 ARG 38 13.007 -2.736 3.001 300 HH21 ARG 38 HH21 ARG 38 10.871 -5.364 3.841 301 HH22 ARG 38 HH22 ARG 38 9.432 -4.587 3.263 302 H CYS 39 HN CYS 39 10.017 -4.564 0.730 303 HA CYS 39 HA CYS 39 7.346 -4.982 -0.295 304 HB2 CYS 39 HB2 CYS 39 8.693 -6.879 0.526 305 HB3 CYS 39 HB1 CYS 39 8.735 -6.174 2.142 306 HG CYS 39 HG CYS 39 6.440 -8.043 0.691 307 H ILE 40 HN ILE 40 5.484 -4.181 0.557 308 HA ILE 40 HA ILE 40 5.780 -2.142 2.685 309 HB ILE 40 HB ILE 40 3.688 -2.171 0.447 310 HG12 ILE 40 HG12 ILE 40 5.901 -2.008 -0.585 311 HG13 ILE 40 HG11 ILE 40 5.077 -0.462 -0.692 312 HG21 ILE 40 HG21 ILE 40 2.999 -0.869 2.387 313 HG22 ILE 40 HG22 ILE 40 3.396 0.210 1.051 314 HG23 ILE 40 HG23 ILE 40 4.533 0.006 2.383 315 HD11 ILE 40 HD11 ILE 40 6.432 0.344 1.197 316 HD12 ILE 40 HD12 ILE 40 7.401 -0.143 -0.189 317 HD13 ILE 40 HD13 ILE 40 7.282 -1.200 1.217 318 H ASP 41 HN ASP 41 4.616 -2.367 4.492 319 HA ASP 41 HA ASP 41 2.680 -4.519 4.804 320 HB2 ASP 41 HB2 ASP 41 3.705 -2.425 6.778 321 HB3 ASP 41 HB1 ASP 41 2.589 -3.723 7.195 322 H ILE 42 HN ILE 42 0.821 -4.080 3.794 323 HA ILE 42 HA ILE 42 -0.469 -1.477 3.809 324 HB ILE 42 HB ILE 42 -1.581 -4.111 2.715 325 HG12 ILE 42 HG12 ILE 42 0.623 -3.693 1.657 326 HG13 ILE 42 HG11 ILE 42 -0.671 -3.456 0.491 327 HG21 ILE 42 HG21 ILE 42 -2.252 -1.214 2.047 328 HG22 ILE 42 HG22 ILE 42 -3.271 -2.345 2.940 329 HG23 ILE 42 HG23 ILE 42 -2.924 -2.631 1.235 330 HD11 ILE 42 HD11 ILE 42 1.057 -1.771 0.233 331 HD12 ILE 42 HD12 ILE 42 0.863 -1.274 1.912 332 HD13 ILE 42 HD13 ILE 42 -0.449 -1.017 0.761 333 H GLU 43 HN GLU 43 -1.409 -0.910 5.639 334 HA GLU 43 HA GLU 43 -2.330 -2.643 7.695 335 HB2 GLU 43 HB2 GLU 43 -2.944 0.326 7.360 336 HB3 GLU 43 HB1 GLU 43 -3.048 -0.617 8.846 337 HG2 GLU 43 HG2 GLU 43 -0.582 -0.957 8.778 338 HG3 GLU 43 HG1 GLU 43 -0.512 0.045 7.325 339 H LEU 44 HN LEU 44 -4.005 -3.943 7.148 340 HA LEU 44 HA LEU 44 -6.415 -2.939 5.849 341 HB2 LEU 44 HB2 LEU 44 -5.291 -5.630 6.510 342 HB3 LEU 44 HB1 LEU 44 -7.038 -5.525 6.556 343 HG LEU 44 HG LEU 44 -6.109 -6.334 4.366 344 HD11 LEU 44 HD11 LEU 44 -7.725 -3.771 4.204 345 HD12 LEU 44 HD12 LEU 44 -8.365 -5.388 4.495 346 HD13 LEU 44 HD13 LEU 44 -7.611 -5.009 2.947 347 HD21 LEU 44 HD21 LEU 44 -4.087 -4.901 4.251 348 HD22 LEU 44 HD22 LEU 44 -5.105 -3.479 4.013 349 HD23 LEU 44 HD23 LEU 44 -5.069 -4.754 2.794 350 H TYR 45 HN TYR 45 -7.931 -1.989 6.969 351 HA TYR 45 HA TYR 45 -8.566 -2.596 9.754 352 HB2 TYR 45 HB2 TYR 45 -9.958 -0.743 7.756 353 HB3 TYR 45 HB1 TYR 45 -10.292 -0.836 9.483 354 HD1 TYR 45 HD1 TYR 45 -8.944 0.418 11.064 355 HD2 TYR 45 HD2 TYR 45 -7.722 0.197 6.971 356 HE1 TYR 45 HE1 TYR 45 -7.270 2.177 11.455 357 HE2 TYR 45 HE2 TYR 45 -6.059 1.957 7.365 358 HH TYR 45 HH TYR 45 -5.616 3.764 8.895 359 H THR 46 HN THR 46 -10.538 -3.628 10.340 360 HA THR 46 HA THR 46 -11.274 -5.821 8.709 361 HB THR 46 HB THR 46 -12.645 -4.793 11.237 362 HG1 THR 46 HG1 THR 46 -10.641 -6.808 10.941 363 HG21 THR 46 HG21 THR 46 -13.445 -7.108 11.547 364 HG22 THR 46 HG22 THR 46 -12.713 -7.582 10.010 365 HG23 THR 46 HG23 THR 46 -14.064 -6.444 10.039 366 H ASP 47 HN ASP 47 -12.675 -2.618 9.021 367 HA ASP 47 HA ASP 47 -15.286 -3.256 7.990 368 HB2 ASP 47 HB2 ASP 47 -15.676 -0.851 7.890 369 HB3 ASP 47 HB1 ASP 47 -14.870 -1.239 9.403 370 H GLY 48 HN GLY 48 -12.197 -2.841 6.585 371 HA2 GLY 48 HA2 GLY 48 -11.950 -3.768 4.347 372 HA3 GLY 48 HA1 GLY 48 -13.356 -2.836 3.855 373 H ARG 49 HN ARG 49 -11.815 -0.667 5.780 374 HA ARG 49 HA ARG 49 -10.563 0.789 3.668 375 HB2 ARG 49 HB2 ARG 49 -10.463 1.053 6.693 376 HB3 ARG 49 HB1 ARG 49 -9.449 2.071 5.677 377 HG2 ARG 49 HG2 ARG 49 -11.411 3.068 4.626 378 HG3 ARG 49 HG1 ARG 49 -12.478 1.960 5.499 379 HD2 ARG 49 HD2 ARG 49 -10.674 4.043 6.789 380 HD3 ARG 49 HD1 ARG 49 -12.420 4.202 6.545 381 HE ARG 49 HE ARG 49 -12.231 1.890 7.919 382 HH11 ARG 49 HH11 ARG 49 -10.918 5.082 8.619 383 HH12 ARG 49 HH12 ARG 49 -10.963 4.844 10.336 384 HH21 ARG 49 HH21 ARG 49 -12.307 1.596 10.124 385 HH22 ARG 49 HH22 ARG 49 -11.756 2.848 11.194 386 H VAL 50 HN VAL 50 -8.401 0.978 3.057 387 HA VAL 50 HA VAL 50 -6.381 -0.700 4.449 388 HB VAL 50 HB VAL 50 -5.271 -1.254 2.405 389 HG11 VAL 50 HG11 VAL 50 -8.243 -1.555 1.839 390 HG12 VAL 50 HG12 VAL 50 -7.240 -2.657 2.778 391 HG13 VAL 50 HG13 VAL 50 -6.947 -2.463 1.053 392 HG21 VAL 50 HG21 VAL 50 -5.882 -0.401 0.162 393 HG22 VAL 50 HG22 VAL 50 -5.395 0.905 1.241 394 HG23 VAL 50 HG23 VAL 50 -7.105 0.647 0.894 395 H GLU 51 HN GLU 51 -4.325 0.240 4.669 396 HA GLU 51 HA GLU 51 -3.933 3.033 3.806 397 HB2 GLU 51 HB2 GLU 51 -4.781 2.610 6.369 398 HB3 GLU 51 HB1 GLU 51 -3.068 2.332 6.630 399 HG2 GLU 51 HG2 GLU 51 -4.386 4.866 5.611 400 HG3 GLU 51 HG1 GLU 51 -3.615 4.630 7.170 401 H CYS 52 HN CYS 52 -2.007 3.109 2.804 402 HA CYS 52 HA CYS 52 0.100 1.126 3.367 403 HB2 CYS 52 HB2 CYS 52 -0.351 1.388 1.004 404 HB3 CYS 52 HB1 CYS 52 -0.256 3.146 1.111 405 HG CYS 52 HG CYS 52 2.061 2.937 0.027 406 H ARG 53 HN ARG 53 1.118 1.785 5.198 407 HA ARG 53 HA ARG 53 1.408 4.452 6.065 408 HB2 ARG 53 HB2 ARG 53 1.453 2.503 7.592 409 HB3 ARG 53 HB1 ARG 53 2.994 1.985 6.914 410 HG2 ARG 53 HG2 ARG 53 4.102 3.967 7.787 411 HG3 ARG 53 HG1 ARG 53 2.565 4.639 8.334 412 HD2 ARG 53 HD2 ARG 53 3.822 2.082 9.387 413 HD3 ARG 53 HD1 ARG 53 3.901 3.658 10.180 414 HE ARG 53 HE ARG 53 1.237 2.575 9.615 415 HH11 ARG 53 HH11 ARG 53 2.626 2.941 13.373 416 HH12 ARG 53 HH12 ARG 53 3.720 3.175 12.049 417 HH21 ARG 53 HH21 ARG 53 0.440 2.424 12.985 418 HH22 ARG 53 HH22 ARG 53 -0.149 2.255 11.360 419 H GLU 54 HN GLU 54 3.385 2.461 3.948 420 HA GLU 54 HA GLU 54 5.813 3.951 4.231 421 HB2 GLU 54 HB2 GLU 54 5.629 1.541 3.416 422 HB3 GLU 54 HB1 GLU 54 5.116 2.185 1.862 423 HG2 GLU 54 HG2 GLU 54 7.440 1.755 1.648 424 HG3 GLU 54 HG1 GLU 54 7.300 3.500 1.812 425 H LEU 55 HN LEU 55 2.952 4.403 2.307 426 HA LEU 55 HA LEU 55 4.042 6.105 0.307 427 HB2 LEU 55 HB2 LEU 55 1.805 4.901 0.147 428 HB3 LEU 55 HB1 LEU 55 1.157 6.044 1.302 429 HG LEU 55 HG LEU 55 0.553 6.519 -1.124 430 HD11 LEU 55 HD11 LEU 55 0.853 8.941 -1.084 431 HD12 LEU 55 HD12 LEU 55 2.069 8.803 0.186 432 HD13 LEU 55 HD13 LEU 55 0.396 8.349 0.513 433 HD21 LEU 55 HD21 LEU 55 3.489 7.234 -1.438 434 HD22 LEU 55 HD22 LEU 55 2.223 7.499 -2.640 435 HD23 LEU 55 HD23 LEU 55 2.669 5.856 -2.177 436 H ARG 56 HN ARG 56 5.365 7.461 1.377 437 HA ARG 56 HA ARG 56 4.500 9.465 3.244 438 HB2 ARG 56 HB2 ARG 56 6.861 9.521 1.311 439 HB3 ARG 56 HB1 ARG 56 6.657 10.560 2.715 440 HG2 ARG 56 HG2 ARG 56 7.031 7.546 2.797 441 HG3 ARG 56 HG1 ARG 56 8.289 8.740 3.111 442 HD2 ARG 56 HD2 ARG 56 5.760 8.369 4.762 443 HD3 ARG 56 HD1 ARG 56 7.371 7.791 5.200 444 HE ARG 56 HE ARG 56 7.703 10.474 4.795 445 HH11 ARG 56 HH11 ARG 56 5.650 8.605 6.973 446 HH12 ARG 56 HH12 ARG 56 5.629 9.849 8.181 447 HH21 ARG 56 HH21 ARG 56 6.759 11.808 7.845 448 HH22 ARG 56 HH22 ARG 56 7.649 12.066 6.374 449 HA PRO 57 HA PRO 57 2.172 11.801 0.073 450 HB2 PRO 57 HB2 PRO 57 2.113 14.025 2.086 451 HB3 PRO 57 HB1 PRO 57 0.765 13.118 1.367 452 HG2 PRO 57 HG2 PRO 57 1.429 12.736 3.920 453 HG3 PRO 57 HG1 PRO 57 0.928 11.366 2.896 454 HD2 PRO 57 HD2 PRO 57 3.742 12.220 3.638 455 HD3 PRO 57 HD1 PRO 57 3.008 10.596 3.706 456 H ASP 58 HN ASP 58 5.241 12.526 1.234 457 HA ASP 58 HA ASP 58 5.799 15.098 0.143 458 HB2 ASP 58 HB2 ASP 58 7.150 14.246 1.968 459 HB3 ASP 58 HB1 ASP 58 7.562 12.791 1.073 460 H VAL 59 HN VAL 59 5.747 11.879 -1.126 461 HA VAL 59 HA VAL 59 7.485 11.911 -3.262 462 HB VAL 59 HB VAL 59 4.783 10.512 -2.973 463 HG11 VAL 59 HG11 VAL 59 5.354 10.484 -5.368 464 HG12 VAL 59 HG12 VAL 59 5.550 8.869 -4.689 465 HG13 VAL 59 HG13 VAL 59 6.970 9.869 -5.008 466 HG21 VAL 59 HG21 VAL 59 6.113 8.551 -2.280 467 HG22 VAL 59 HG22 VAL 59 6.402 9.935 -1.227 468 HG23 VAL 59 HG23 VAL 59 7.600 9.492 -2.444 469 H PHE 60 HN PHE 60 4.300 13.397 -3.041 470 HA PHE 60 HA PHE 60 4.552 15.056 -5.303 471 HB2 PHE 60 HB2 PHE 60 2.495 13.998 -6.570 472 HB3 PHE 60 HB1 PHE 60 4.105 13.352 -6.845 473 HD1 PHE 60 HD1 PHE 60 2.296 12.460 -3.736 474 HD2 PHE 60 HD2 PHE 60 3.175 11.316 -7.760 475 HE1 PHE 60 HE1 PHE 60 1.486 10.188 -3.275 476 HE2 PHE 60 HE2 PHE 60 2.369 9.044 -7.279 477 HZ PHE 60 HZ PHE 60 1.530 8.491 -5.041 478 H GLY 61 HN GLY 61 1.741 15.416 -5.839 479 HA2 GLY 61 HA2 GLY 61 0.911 17.049 -3.686 480 HA3 GLY 61 HA1 GLY 61 -0.083 16.558 -5.052 481 H ALA 62 HN ALA 62 0.092 13.749 -4.621 482 HA ALA 62 HA ALA 62 -1.022 12.030 -3.690 483 HB1 ALA 62 HB1 ALA 62 0.804 12.263 -2.035 484 HB2 ALA 62 HB2 ALA 62 -0.672 11.663 -1.276 485 HB3 ALA 62 HB3 ALA 62 -0.201 13.351 -1.074 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -6.841 -3.359 13.916 2 H2 MET 1 HT2 MET 1 -5.337 -4.138 13.870 3 H3 MET 1 HT3 MET 1 -6.755 -5.043 14.000 4 HA MET 1 HA MET 1 -7.470 -4.336 11.823 5 HB2 MET 1 HB2 MET 1 -6.016 -3.013 10.390 6 HB3 MET 1 HB1 MET 1 -6.253 -2.142 11.896 7 HG2 MET 1 HG2 MET 1 -3.784 -3.724 11.137 8 HG3 MET 1 HG1 MET 1 -3.947 -1.965 11.136 9 HE1 MET 1 HE1 MET 1 -1.624 -3.648 12.627 10 HE2 MET 1 HE2 MET 1 -1.498 -2.770 14.149 11 HE3 MET 1 HE3 MET 1 -1.666 -1.888 12.629 12 H LYS 2 HN LYS 2 -6.772 -5.493 9.885 13 HA LYS 2 HA LYS 2 -4.640 -7.484 10.305 14 HB2 LYS 2 HB2 LYS 2 -6.660 -7.206 8.018 15 HB3 LYS 2 HB1 LYS 2 -5.419 -8.453 8.126 16 HG2 LYS 2 HG2 LYS 2 -6.451 -9.255 10.242 17 HG3 LYS 2 HG1 LYS 2 -7.743 -8.073 10.023 18 HD2 LYS 2 HD2 LYS 2 -8.395 -9.169 7.900 19 HD3 LYS 2 HD1 LYS 2 -7.074 -10.330 8.097 20 HE2 LYS 2 HE2 LYS 2 -9.237 -11.284 8.797 21 HE3 LYS 2 HE1 LYS 2 -8.100 -11.197 10.143 22 HZ1 LYS 2 HZ1 LYS 2 -10.331 -10.485 10.770 23 HZ2 LYS 2 HZ2 LYS 2 -10.289 -9.247 9.619 24 HZ3 LYS 2 HZ3 LYS 2 -9.223 -9.219 10.935 25 H LYS 3 HN LYS 3 -2.881 -7.593 8.868 26 HA LYS 3 HA LYS 3 -2.361 -5.185 7.199 27 HB2 LYS 3 HB2 LYS 3 -0.229 -6.744 8.738 28 HB3 LYS 3 HB1 LYS 3 -0.048 -5.202 7.910 29 HG2 LYS 3 HG2 LYS 3 -1.574 -4.166 9.603 30 HG3 LYS 3 HG1 LYS 3 -1.625 -5.711 10.443 31 HD2 LYS 3 HD2 LYS 3 0.823 -3.961 10.035 32 HD3 LYS 3 HD1 LYS 3 -0.058 -4.193 11.542 33 HE2 LYS 3 HE2 LYS 3 1.814 -5.575 11.806 34 HE3 LYS 3 HE1 LYS 3 0.583 -6.712 11.266 35 HZ1 LYS 3 HZ1 LYS 3 1.540 -6.814 9.134 36 HZ2 LYS 3 HZ2 LYS 3 2.862 -6.849 10.190 37 HZ3 LYS 3 HZ3 LYS 3 2.465 -5.420 9.372 38 H ILE 4 HN ILE 4 -1.568 -5.624 5.189 39 HA ILE 4 HA ILE 4 -1.187 -8.454 4.389 40 HB ILE 4 HB ILE 4 -2.722 -6.282 2.925 41 HG12 ILE 4 HG12 ILE 4 -3.634 -8.849 4.268 42 HG13 ILE 4 HG11 ILE 4 -4.145 -7.202 4.625 43 HG21 ILE 4 HG21 ILE 4 -2.247 -9.084 1.900 44 HG22 ILE 4 HG22 ILE 4 -1.462 -7.627 1.293 45 HG23 ILE 4 HG23 ILE 4 -3.206 -7.818 1.113 46 HD11 ILE 4 HD11 ILE 4 -5.913 -8.259 3.495 47 HD12 ILE 4 HD12 ILE 4 -4.843 -8.871 2.234 48 HD13 ILE 4 HD13 ILE 4 -5.182 -7.139 2.337 49 HA PRO 5 HA PRO 5 2.556 -6.830 2.372 50 HB2 PRO 5 HB2 PRO 5 2.395 -9.268 0.632 51 HB3 PRO 5 HB1 PRO 5 3.662 -8.802 1.785 52 HG2 PRO 5 HG2 PRO 5 1.993 -10.864 2.272 53 HG3 PRO 5 HG1 PRO 5 2.613 -9.826 3.582 54 HD2 PRO 5 HD2 PRO 5 -0.082 -9.728 2.212 55 HD3 PRO 5 HD1 PRO 5 0.300 -9.597 3.939 56 H LEU 6 HN LEU 6 2.546 -5.345 0.698 57 HA LEU 6 HA LEU 6 0.274 -4.609 -0.638 58 HB2 LEU 6 HB2 LEU 6 2.149 -3.102 -0.375 59 HB3 LEU 6 HB1 LEU 6 3.159 -4.091 -1.409 60 HG LEU 6 HG LEU 6 1.826 -3.458 -3.381 61 HD11 LEU 6 HD11 LEU 6 0.140 -1.775 -1.515 62 HD12 LEU 6 HD12 LEU 6 -0.377 -3.242 -2.352 63 HD13 LEU 6 HD13 LEU 6 0.042 -1.805 -3.277 64 HD21 LEU 6 HD21 LEU 6 3.702 -1.993 -2.744 65 HD22 LEU 6 HD22 LEU 6 2.607 -1.004 -1.776 66 HD23 LEU 6 HD23 LEU 6 2.409 -1.089 -3.529 67 H SER 7 HN SER 7 2.832 -6.721 -1.824 68 HA SER 7 HA SER 7 2.043 -7.073 -4.458 69 HB2 SER 7 HB2 SER 7 3.277 -9.209 -2.688 70 HB3 SER 7 HB1 SER 7 3.456 -9.022 -4.434 71 HG SER 7 HG SER 7 4.985 -7.617 -4.101 72 H LYS 8 HN LYS 8 1.099 -9.056 -1.591 73 HA LYS 8 HA LYS 8 -0.730 -10.735 -3.011 74 HB2 LYS 8 HB2 LYS 8 -0.322 -10.252 -0.049 75 HB3 LYS 8 HB1 LYS 8 -1.559 -11.347 -0.660 76 HG2 LYS 8 HG2 LYS 8 0.303 -12.570 -1.903 77 HG3 LYS 8 HG1 LYS 8 1.441 -11.604 -0.962 78 HD2 LYS 8 HD2 LYS 8 0.603 -12.559 1.123 79 HD3 LYS 8 HD1 LYS 8 -0.685 -13.400 0.252 80 HE2 LYS 8 HE2 LYS 8 1.169 -14.923 0.848 81 HE3 LYS 8 HE1 LYS 8 0.957 -14.806 -0.896 82 HZ1 LYS 8 HZ1 LYS 8 2.822 -13.222 -0.939 83 HZ2 LYS 8 HZ2 LYS 8 3.275 -14.738 -0.350 84 HZ3 LYS 8 HZ3 LYS 8 3.050 -13.451 0.725 85 H TYR 9 HN TYR 9 -1.103 -7.647 -1.397 86 HA TYR 9 HA TYR 9 -3.944 -7.589 -1.336 87 HB2 TYR 9 HB2 TYR 9 -2.566 -5.977 -0.036 88 HB3 TYR 9 HB1 TYR 9 -1.995 -5.243 -1.516 89 HD1 TYR 9 HD1 TYR 9 -4.784 -5.488 0.838 90 HD2 TYR 9 HD2 TYR 9 -3.565 -3.874 -2.930 91 HE1 TYR 9 HE1 TYR 9 -6.754 -4.061 0.813 92 HE2 TYR 9 HE2 TYR 9 -5.548 -2.432 -2.939 93 HH TYR 9 HH TYR 9 -7.823 -2.434 -1.956 94 H LEU 10 HN LEU 10 -1.532 -6.635 -3.728 95 HA LEU 10 HA LEU 10 -3.363 -5.615 -5.662 96 HB2 LEU 10 HB2 LEU 10 -0.460 -6.484 -5.925 97 HB3 LEU 10 HB1 LEU 10 -1.365 -5.658 -7.185 98 HG LEU 10 HG LEU 10 -0.696 -4.490 -4.454 99 HD11 LEU 10 HD11 LEU 10 1.297 -4.706 -5.827 100 HD12 LEU 10 HD12 LEU 10 0.848 -3.012 -5.647 101 HD13 LEU 10 HD13 LEU 10 0.507 -3.855 -7.161 102 HD21 LEU 10 HD21 LEU 10 -2.088 -3.187 -6.813 103 HD22 LEU 10 HD22 LEU 10 -1.548 -2.353 -5.352 104 HD23 LEU 10 HD23 LEU 10 -2.805 -3.581 -5.249 105 H GLU 11 HN GLU 11 -2.300 -8.846 -4.869 106 HA GLU 11 HA GLU 11 -2.981 -10.038 -7.395 107 HB2 GLU 11 HB2 GLU 11 -2.862 -11.385 -4.652 108 HB3 GLU 11 HB1 GLU 11 -2.889 -12.199 -6.209 109 HG2 GLU 11 HG2 GLU 11 -0.649 -10.572 -5.006 110 HG3 GLU 11 HG1 GLU 11 -0.651 -12.278 -5.423 111 H GLU 12 HN GLU 12 -4.632 -9.891 -4.207 112 HA GLU 12 HA GLU 12 -7.059 -11.059 -5.453 113 HB2 GLU 12 HB2 GLU 12 -5.971 -12.519 -3.795 114 HB3 GLU 12 HB1 GLU 12 -6.057 -11.246 -2.580 115 HG2 GLU 12 HG2 GLU 12 -8.552 -11.356 -2.677 116 HG3 GLU 12 HG1 GLU 12 -8.420 -12.667 -3.850 117 H HIS 13 HN HIS 13 -5.936 -8.589 -3.158 118 HA HIS 13 HA HIS 13 -8.684 -7.949 -2.336 119 HB2 HIS 13 HB2 HIS 13 -5.940 -7.218 -1.269 120 HB3 HIS 13 HB1 HIS 13 -7.402 -6.444 -0.669 121 HD1 HIS 13 HD1 HIS 13 -8.328 -7.515 1.344 122 HD2 HIS 13 HD2 HIS 13 -6.201 -10.215 -0.983 123 HE1 HIS 13 HE1 HIS 13 -8.335 -9.655 2.631 124 HE2 HIS 13 HE2 HIS 13 -7.310 -11.338 1.065 125 H GLY 14 HN GLY 14 -7.086 -7.020 -4.919 126 HA2 GLY 14 HA2 GLY 14 -8.610 -5.023 -5.816 127 HA3 GLY 14 HA1 GLY 14 -7.482 -4.131 -4.791 128 H THR 15 HN THR 15 -7.698 -3.740 -7.567 129 HA THR 15 HA THR 15 -5.178 -4.760 -8.678 130 HB THR 15 HB THR 15 -5.825 -3.490 -10.714 131 HG1 THR 15 HG1 THR 15 -8.161 -2.642 -10.511 132 HG21 THR 15 HG21 THR 15 -8.141 -5.123 -9.615 133 HG22 THR 15 HG22 THR 15 -6.730 -5.770 -10.456 134 HG23 THR 15 HG23 THR 15 -7.870 -4.734 -11.315 135 H GLN 16 HN GLN 16 -3.843 -2.890 -9.787 136 HA GLN 16 HA GLN 16 -2.852 -1.188 -7.708 137 HB2 GLN 16 HB2 GLN 16 -2.162 -1.182 -10.682 138 HB3 GLN 16 HB1 GLN 16 -1.304 -0.272 -9.451 139 HG2 GLN 16 HG2 GLN 16 0.024 -2.177 -9.928 140 HG3 GLN 16 HG1 GLN 16 -0.724 -2.487 -8.356 141 HE21 GLN 16 HE21 GLN 16 -2.287 -4.169 -8.212 142 HE22 GLN 16 HE22 GLN 16 -2.486 -5.349 -9.458 143 H SER 17 HN SER 17 -5.042 -0.829 -10.375 144 HA SER 17 HA SER 17 -5.318 2.028 -10.340 145 HB2 SER 17 HB2 SER 17 -7.188 -0.105 -11.447 146 HB3 SER 17 HB1 SER 17 -7.193 1.606 -11.869 147 HG SER 17 HG SER 17 -4.734 0.716 -12.294 148 H ALA 18 HN ALA 18 -7.194 -0.715 -9.018 149 HA ALA 18 HA ALA 18 -9.346 0.732 -7.893 150 HB1 ALA 18 HB1 ALA 18 -9.400 -1.717 -8.242 151 HB2 ALA 18 HB2 ALA 18 -9.805 -1.286 -6.579 152 HB3 ALA 18 HB3 ALA 18 -8.202 -1.921 -6.956 153 H LEU 19 HN LEU 19 -6.201 -0.212 -6.656 154 HA LEU 19 HA LEU 19 -6.692 0.569 -3.950 155 HB2 LEU 19 HB2 LEU 19 -5.018 -1.138 -4.368 156 HB3 LEU 19 HB1 LEU 19 -4.108 -0.065 -5.421 157 HG LEU 19 HG LEU 19 -3.524 1.363 -3.472 158 HD11 LEU 19 HD11 LEU 19 -5.451 0.982 -2.022 159 HD12 LEU 19 HD12 LEU 19 -3.952 0.637 -1.170 160 HD13 LEU 19 HD13 LEU 19 -4.951 -0.691 -1.755 161 HD21 LEU 19 HD21 LEU 19 -1.988 -0.402 -4.151 162 HD22 LEU 19 HD22 LEU 19 -2.805 -1.557 -3.095 163 HD23 LEU 19 HD23 LEU 19 -1.941 -0.180 -2.405 164 H ALA 20 HN ALA 20 -4.865 1.980 -6.668 165 HA ALA 20 HA ALA 20 -3.994 4.368 -5.509 166 HB1 ALA 20 HB1 ALA 20 -3.812 5.220 -7.814 167 HB2 ALA 20 HB2 ALA 20 -4.813 3.886 -8.395 168 HB3 ALA 20 HB3 ALA 20 -3.226 3.560 -7.697 169 H ALA 21 HN ALA 21 -7.066 3.623 -7.128 170 HA ALA 21 HA ALA 21 -8.286 6.159 -6.953 171 HB1 ALA 21 HB1 ALA 21 -10.399 4.950 -7.322 172 HB2 ALA 21 HB2 ALA 21 -9.598 3.420 -6.955 173 HB3 ALA 21 HB3 ALA 21 -9.126 4.342 -8.383 174 H ALA 22 HN ALA 22 -8.332 3.370 -4.746 175 HA ALA 22 HA ALA 22 -10.190 4.309 -2.851 176 HB1 ALA 22 HB1 ALA 22 -7.908 2.353 -2.400 177 HB2 ALA 22 HB2 ALA 22 -9.499 1.945 -3.048 178 HB3 ALA 22 HB3 ALA 22 -9.347 2.530 -1.391 179 H LEU 23 HN LEU 23 -6.694 4.752 -3.075 180 HA LEU 23 HA LEU 23 -6.444 6.007 -0.454 181 HB2 LEU 23 HB2 LEU 23 -4.387 5.739 -2.677 182 HB3 LEU 23 HB1 LEU 23 -4.061 6.185 -1.012 183 HG LEU 23 HG LEU 23 -5.020 3.454 -1.949 184 HD11 LEU 23 HD11 LEU 23 -2.737 3.898 -2.669 185 HD12 LEU 23 HD12 LEU 23 -2.753 2.680 -1.397 186 HD13 LEU 23 HD13 LEU 23 -2.271 4.337 -1.022 187 HD21 LEU 23 HD21 LEU 23 -4.222 4.357 0.837 188 HD22 LEU 23 HD22 LEU 23 -4.536 2.688 0.355 189 HD23 LEU 23 HD23 LEU 23 -5.837 3.879 0.303 190 H GLY 24 HN GLY 24 -7.090 7.019 -3.696 191 HA2 GLY 24 HA2 GLY 24 -7.481 9.122 -4.601 192 HA3 GLY 24 HA1 GLY 24 -7.055 9.844 -3.056 193 H VAL 25 HN VAL 25 -5.030 7.596 -4.799 194 HA VAL 25 HA VAL 25 -2.969 9.670 -5.307 195 HB VAL 25 HB VAL 25 -1.249 8.134 -4.634 196 HG11 VAL 25 HG11 VAL 25 -3.550 7.914 -2.676 197 HG12 VAL 25 HG12 VAL 25 -2.354 9.212 -2.757 198 HG13 VAL 25 HG13 VAL 25 -1.861 7.585 -2.292 199 HG21 VAL 25 HG21 VAL 25 -2.069 6.047 -5.639 200 HG22 VAL 25 HG22 VAL 25 -3.349 5.935 -4.431 201 HG23 VAL 25 HG23 VAL 25 -1.661 5.777 -3.944 202 H ASN 26 HN ASN 26 -1.224 8.613 -6.867 203 HA ASN 26 HA ASN 26 -2.595 7.692 -9.293 204 HB2 ASN 26 HB2 ASN 26 0.282 8.556 -8.771 205 HB3 ASN 26 HB1 ASN 26 -0.318 8.033 -10.344 206 HD21 ASN 26 HD21 ASN 26 -1.697 9.402 -11.517 207 HD22 ASN 26 HD22 ASN 26 -1.945 11.059 -11.090 208 H GLN 27 HN GLN 27 -1.664 5.942 -10.577 209 HA GLN 27 HA GLN 27 -1.144 3.519 -9.104 210 HB2 GLN 27 HB2 GLN 27 -0.957 4.054 -12.104 211 HB3 GLN 27 HB1 GLN 27 -0.963 2.464 -11.344 212 HG2 GLN 27 HG2 GLN 27 -3.261 2.848 -10.540 213 HG3 GLN 27 HG1 GLN 27 -3.249 4.450 -11.288 214 HE21 GLN 27 HE21 GLN 27 -4.971 3.956 -12.670 215 HE22 GLN 27 HE22 GLN 27 -4.813 2.875 -14.007 216 H SER 28 HN SER 28 0.780 5.889 -10.801 217 HA SER 28 HA SER 28 3.249 4.531 -10.925 218 HB2 SER 28 HB2 SER 28 2.777 6.630 -12.177 219 HB3 SER 28 HB1 SER 28 2.755 7.537 -10.667 220 HG SER 28 HG SER 28 4.871 7.517 -10.635 221 H ALA 29 HN ALA 29 1.652 6.373 -8.354 222 HA ALA 29 HA ALA 29 3.740 6.434 -6.436 223 HB1 ALA 29 HB1 ALA 29 0.736 6.256 -5.971 224 HB2 ALA 29 HB2 ALA 29 1.650 7.742 -6.236 225 HB3 ALA 29 HB3 ALA 29 1.946 6.773 -4.793 226 H ILE 30 HN ILE 30 1.087 4.079 -6.898 227 HA ILE 30 HA ILE 30 1.700 2.281 -4.839 228 HB ILE 30 HB ILE 30 0.500 1.556 -7.560 229 HG12 ILE 30 HG12 ILE 30 -0.764 3.419 -6.650 230 HG13 ILE 30 HG11 ILE 30 -1.729 1.958 -6.498 231 HG21 ILE 30 HG21 ILE 30 0.187 0.150 -4.879 232 HG22 ILE 30 HG22 ILE 30 1.088 -0.445 -6.275 233 HG23 ILE 30 HG23 ILE 30 -0.663 -0.270 -6.369 234 HD11 ILE 30 HD11 ILE 30 -0.229 3.360 -4.287 235 HD12 ILE 30 HD12 ILE 30 -1.122 1.848 -4.104 236 HD13 ILE 30 HD13 ILE 30 -1.972 3.327 -4.545 237 H SER 31 HN SER 31 2.657 2.207 -8.247 238 HA SER 31 HA SER 31 4.186 -0.207 -8.156 239 HB2 SER 31 HB2 SER 31 3.047 0.599 -10.195 240 HB3 SER 31 HB1 SER 31 4.080 2.028 -10.240 241 HG SER 31 HG SER 31 5.276 -0.507 -10.211 242 H GLN 32 HN GLN 32 4.975 3.175 -7.546 243 HA GLN 32 HA GLN 32 7.836 2.923 -7.897 244 HB2 GLN 32 HB2 GLN 32 6.540 5.104 -8.052 245 HB3 GLN 32 HB1 GLN 32 6.330 5.053 -6.306 246 HG2 GLN 32 HG2 GLN 32 8.885 5.024 -6.148 247 HG3 GLN 32 HG1 GLN 32 8.904 5.389 -7.876 248 HE21 GLN 32 HE21 GLN 32 7.971 7.433 -8.559 249 HE22 GLN 32 HE22 GLN 32 7.888 8.766 -7.466 250 H MET 33 HN MET 33 5.533 2.678 -5.267 251 HA MET 33 HA MET 33 7.377 2.448 -3.092 252 HB2 MET 33 HB2 MET 33 4.519 1.476 -3.282 253 HB3 MET 33 HB1 MET 33 5.454 1.684 -1.811 254 HG2 MET 33 HG2 MET 33 5.562 4.227 -2.979 255 HG3 MET 33 HG1 MET 33 3.938 3.664 -3.346 256 HE1 MET 33 HE1 MET 33 3.919 1.581 -0.745 257 HE2 MET 33 HE2 MET 33 2.450 2.412 -1.289 258 HE3 MET 33 HE3 MET 33 2.961 2.522 0.406 259 H VAL 34 HN VAL 34 5.673 0.139 -5.161 260 HA VAL 34 HA VAL 34 6.745 -2.280 -4.179 261 HB VAL 34 HB VAL 34 5.874 -1.501 -7.012 262 HG11 VAL 34 HG11 VAL 34 6.242 -4.314 -5.924 263 HG12 VAL 34 HG12 VAL 34 7.301 -3.512 -7.084 264 HG13 VAL 34 HG13 VAL 34 5.633 -3.870 -7.524 265 HG21 VAL 34 HG21 VAL 34 4.316 -2.974 -4.857 266 HG22 VAL 34 HG22 VAL 34 3.743 -2.597 -6.484 267 HG23 VAL 34 HG23 VAL 34 4.073 -1.296 -5.343 268 H ARG 35 HN ARG 35 7.935 0.035 -6.607 269 HA ARG 35 HA ARG 35 10.197 -1.538 -7.443 270 HB2 ARG 35 HB2 ARG 35 8.940 0.029 -8.921 271 HB3 ARG 35 HB1 ARG 35 9.547 1.388 -7.985 272 HG2 ARG 35 HG2 ARG 35 11.872 0.754 -8.662 273 HG3 ARG 35 HG1 ARG 35 11.196 -0.531 -9.669 274 HD2 ARG 35 HD2 ARG 35 9.965 1.167 -10.985 275 HD3 ARG 35 HD1 ARG 35 10.666 2.442 -9.979 276 HE ARG 35 HE ARG 35 12.719 0.856 -11.096 277 HH11 ARG 35 HH11 ARG 35 11.308 3.863 -13.370 278 HH12 ARG 35 HH12 ARG 35 10.366 3.271 -12.041 279 HH21 ARG 35 HH21 ARG 35 13.384 2.896 -13.834 280 HH22 ARG 35 HH22 ARG 35 13.968 1.597 -12.841 281 H ALA 36 HN ALA 36 9.681 0.707 -4.888 282 HA ALA 36 HA ALA 36 12.278 1.778 -4.550 283 HB1 ALA 36 HB1 ALA 36 10.271 2.706 -3.467 284 HB2 ALA 36 HB2 ALA 36 11.526 2.349 -2.278 285 HB3 ALA 36 HB3 ALA 36 10.141 1.267 -2.455 286 H GLY 37 HN GLY 37 11.042 -1.373 -4.003 287 HA2 GLY 37 HA2 GLY 37 12.260 -3.300 -3.479 288 HA3 GLY 37 HA1 GLY 37 13.545 -2.315 -2.798 289 H ARG 38 HN ARG 38 10.682 -1.111 -1.644 290 HA ARG 38 HA ARG 38 10.867 -2.553 0.899 291 HB2 ARG 38 HB2 ARG 38 9.307 -0.063 0.058 292 HB3 ARG 38 HB1 ARG 38 9.084 -0.847 1.616 293 HG2 ARG 38 HG2 ARG 38 10.487 1.057 1.935 294 HG3 ARG 38 HG1 ARG 38 11.482 -0.378 2.157 295 HD2 ARG 38 HD2 ARG 38 12.569 -0.050 0.045 296 HD3 ARG 38 HD1 ARG 38 11.398 1.178 -0.447 297 HE ARG 38 HE ARG 38 12.480 2.226 1.810 298 HH11 ARG 38 HH11 ARG 38 13.968 1.039 -1.174 299 HH12 ARG 38 HH12 ARG 38 15.316 2.125 -1.056 300 HH21 ARG 38 HH21 ARG 38 14.245 3.638 1.914 301 HH22 ARG 38 HH22 ARG 38 15.471 3.591 0.685 302 H CYS 39 HN CYS 39 9.598 -4.367 1.104 303 HA CYS 39 HA CYS 39 7.088 -4.733 -0.244 304 HB2 CYS 39 HB2 CYS 39 8.375 -6.658 0.704 305 HB3 CYS 39 HB1 CYS 39 8.044 -6.065 2.332 306 HG CYS 39 HG CYS 39 6.106 -7.779 0.225 307 H ILE 40 HN ILE 40 5.152 -3.799 0.304 308 HA ILE 40 HA ILE 40 5.323 -1.771 2.431 309 HB ILE 40 HB ILE 40 3.524 -1.976 -0.009 310 HG12 ILE 40 HG12 ILE 40 5.809 -1.406 -0.617 311 HG13 ILE 40 HG11 ILE 40 4.769 -0.009 -0.844 312 HG21 ILE 40 HG21 ILE 40 3.541 0.237 2.021 313 HG22 ILE 40 HG22 ILE 40 2.254 -0.941 1.776 314 HG23 ILE 40 HG23 ILE 40 2.641 0.217 0.506 315 HD11 ILE 40 HD11 ILE 40 5.632 0.958 1.236 316 HD12 ILE 40 HD12 ILE 40 6.912 0.625 0.070 317 HD13 ILE 40 HD13 ILE 40 6.675 -0.451 1.447 318 H ASP 41 HN ASP 41 3.959 -1.660 4.086 319 HA ASP 41 HA ASP 41 2.198 -3.927 4.647 320 HB2 ASP 41 HB2 ASP 41 3.932 -3.110 6.291 321 HB3 ASP 41 HB1 ASP 41 3.037 -1.605 6.444 322 H ILE 42 HN ILE 42 0.258 -3.665 3.654 323 HA ILE 42 HA ILE 42 -1.173 -1.107 3.642 324 HB ILE 42 HB ILE 42 -1.999 -3.843 2.551 325 HG12 ILE 42 HG12 ILE 42 -0.052 -2.879 1.349 326 HG13 ILE 42 HG11 ILE 42 -1.477 -2.940 0.321 327 HG21 ILE 42 HG21 ILE 42 -3.330 -1.133 2.154 328 HG22 ILE 42 HG22 ILE 42 -3.979 -2.493 3.073 329 HG23 ILE 42 HG23 ILE 42 -3.783 -2.626 1.326 330 HD11 ILE 42 HD11 ILE 42 -0.397 -0.477 1.703 331 HD12 ILE 42 HD12 ILE 42 -1.828 -0.535 0.670 332 HD13 ILE 42 HD13 ILE 42 -0.237 -0.876 -0.007 333 H GLU 43 HN GLU 43 -2.610 -0.583 5.161 334 HA GLU 43 HA GLU 43 -3.244 -2.474 7.295 335 HB2 GLU 43 HB2 GLU 43 -2.378 -0.278 7.922 336 HB3 GLU 43 HB1 GLU 43 -3.670 0.533 7.040 337 HG2 GLU 43 HG2 GLU 43 -5.327 -0.160 8.611 338 HG3 GLU 43 HG1 GLU 43 -4.247 -1.337 9.354 339 H LEU 44 HN LEU 44 -4.898 -3.769 6.772 340 HA LEU 44 HA LEU 44 -7.401 -2.858 5.598 341 HB2 LEU 44 HB2 LEU 44 -6.224 -5.495 6.478 342 HB3 LEU 44 HB1 LEU 44 -7.970 -5.378 6.467 343 HG LEU 44 HG LEU 44 -6.956 -6.415 4.412 344 HD11 LEU 44 HD11 LEU 44 -8.648 -3.940 3.951 345 HD12 LEU 44 HD12 LEU 44 -9.227 -5.561 4.340 346 HD13 LEU 44 HD13 LEU 44 -8.422 -5.264 2.802 347 HD21 LEU 44 HD21 LEU 44 -5.919 -5.036 2.703 348 HD22 LEU 44 HD22 LEU 44 -4.976 -4.945 4.190 349 HD23 LEU 44 HD23 LEU 44 -6.029 -3.604 3.734 350 H TYR 45 HN TYR 45 -8.430 -1.464 6.983 351 HA TYR 45 HA TYR 45 -8.876 -1.851 9.760 352 HB2 TYR 45 HB2 TYR 45 -10.559 -0.377 7.694 353 HB3 TYR 45 HB1 TYR 45 -10.815 -0.280 9.432 354 HD1 TYR 45 HD1 TYR 45 -8.637 0.452 10.828 355 HD2 TYR 45 HD2 TYR 45 -9.289 1.350 6.699 356 HE1 TYR 45 HE1 TYR 45 -7.074 2.341 10.986 357 HE2 TYR 45 HE2 TYR 45 -7.729 3.238 6.864 358 HH TYR 45 HH TYR 45 -5.602 3.668 9.409 359 H THR 46 HN THR 46 -10.814 -2.562 10.811 360 HA THR 46 HA THR 46 -11.637 -5.122 9.965 361 HB THR 46 HB THR 46 -13.244 -4.902 11.997 362 HG1 THR 46 HG1 THR 46 -13.477 -2.829 12.494 363 HG21 THR 46 HG21 THR 46 -11.064 -6.034 12.180 364 HG22 THR 46 HG22 THR 46 -11.386 -5.077 13.628 365 HG23 THR 46 HG23 THR 46 -10.260 -4.478 12.410 366 H ASP 47 HN ASP 47 -13.159 -1.983 9.520 367 HA ASP 47 HA ASP 47 -15.792 -3.000 8.894 368 HB2 ASP 47 HB2 ASP 47 -16.418 -0.753 8.470 369 HB3 ASP 47 HB1 ASP 47 -15.232 -0.637 9.760 370 H GLY 48 HN GLY 48 -12.855 -2.602 7.141 371 HA2 GLY 48 HA2 GLY 48 -12.618 -3.905 5.093 372 HA3 GLY 48 HA1 GLY 48 -14.196 -3.319 4.589 373 H ARG 49 HN ARG 49 -12.449 -0.770 6.034 374 HA ARG 49 HA ARG 49 -11.703 0.360 3.443 375 HB2 ARG 49 HB2 ARG 49 -12.040 1.411 6.208 376 HB3 ARG 49 HB1 ARG 49 -10.686 2.130 5.351 377 HG2 ARG 49 HG2 ARG 49 -12.785 3.441 5.156 378 HG3 ARG 49 HG1 ARG 49 -12.129 2.949 3.595 379 HD2 ARG 49 HD2 ARG 49 -13.779 1.164 3.425 380 HD3 ARG 49 HD1 ARG 49 -14.398 1.532 5.037 381 HE ARG 49 HE ARG 49 -14.535 3.461 2.790 382 HH11 ARG 49 HH11 ARG 49 -16.097 1.742 5.428 383 HH12 ARG 49 HH12 ARG 49 -17.608 2.580 5.236 384 HH21 ARG 49 HH21 ARG 49 -17.851 4.159 3.596 385 HH22 ARG 49 HH22 ARG 49 -16.532 4.536 2.535 386 H VAL 50 HN VAL 50 -9.526 1.190 3.017 387 HA VAL 50 HA VAL 50 -7.357 -0.272 4.407 388 HB VAL 50 HB VAL 50 -6.138 -0.568 2.303 389 HG11 VAL 50 HG11 VAL 50 -7.590 -2.387 3.023 390 HG12 VAL 50 HG12 VAL 50 -7.543 -2.308 1.263 391 HG13 VAL 50 HG13 VAL 50 -8.951 -1.698 2.134 392 HG21 VAL 50 HG21 VAL 50 -7.155 -0.140 0.086 393 HG22 VAL 50 HG22 VAL 50 -6.958 1.353 1.005 394 HG23 VAL 50 HG23 VAL 50 -8.553 0.614 0.868 395 H GLU 51 HN GLU 51 -5.394 0.777 4.535 396 HA GLU 51 HA GLU 51 -5.164 3.581 3.666 397 HB2 GLU 51 HB2 GLU 51 -6.080 3.312 6.116 398 HB3 GLU 51 HB1 GLU 51 -4.459 2.794 6.528 399 HG2 GLU 51 HG2 GLU 51 -5.211 5.474 5.343 400 HG3 GLU 51 HG1 GLU 51 -4.904 5.172 7.046 401 H CYS 52 HN CYS 52 -3.218 3.801 2.733 402 HA CYS 52 HA CYS 52 -1.165 1.738 3.116 403 HB2 CYS 52 HB2 CYS 52 -1.824 2.302 0.806 404 HB3 CYS 52 HB1 CYS 52 -1.335 3.974 1.069 405 HG CYS 52 HG CYS 52 1.084 3.661 0.368 406 H ARG 53 HN ARG 53 0.038 2.186 4.894 407 HA ARG 53 HA ARG 53 0.289 4.747 6.090 408 HB2 ARG 53 HB2 ARG 53 0.324 2.541 7.276 409 HB3 ARG 53 HB1 ARG 53 1.918 2.226 6.601 410 HG2 ARG 53 HG2 ARG 53 2.683 4.371 7.806 411 HG3 ARG 53 HG1 ARG 53 1.133 4.314 8.652 412 HD2 ARG 53 HD2 ARG 53 2.907 3.267 9.992 413 HD3 ARG 53 HD1 ARG 53 1.688 2.072 9.529 414 HE ARG 53 HE ARG 53 4.274 2.397 8.121 415 HH11 ARG 53 HH11 ARG 53 2.657 -1.175 8.977 416 HH12 ARG 53 HH12 ARG 53 1.834 0.258 9.498 417 HH21 ARG 53 HH21 ARG 53 4.597 -1.014 7.749 418 HH22 ARG 53 HH22 ARG 53 5.232 0.549 7.337 419 H GLU 54 HN GLU 54 2.217 3.131 3.709 420 HA GLU 54 HA GLU 54 4.670 4.623 4.204 421 HB2 GLU 54 HB2 GLU 54 4.062 2.780 1.873 422 HB3 GLU 54 HB1 GLU 54 5.642 3.263 2.470 423 HG2 GLU 54 HG2 GLU 54 3.653 1.473 3.873 424 HG3 GLU 54 HG1 GLU 54 5.141 0.970 3.082 425 H LEU 55 HN LEU 55 1.821 5.256 2.570 426 HA LEU 55 HA LEU 55 2.845 6.464 0.171 427 HB2 LEU 55 HB2 LEU 55 0.537 5.290 0.538 428 HB3 LEU 55 HB1 LEU 55 0.025 6.796 1.269 429 HG LEU 55 HG LEU 55 -0.754 6.650 -1.053 430 HD11 LEU 55 HD11 LEU 55 0.044 8.763 -1.988 431 HD12 LEU 55 HD12 LEU 55 1.402 8.776 -0.861 432 HD13 LEU 55 HD13 LEU 55 -0.249 8.908 -0.254 433 HD21 LEU 55 HD21 LEU 55 0.772 6.561 -2.975 434 HD22 LEU 55 HD22 LEU 55 0.950 5.137 -1.953 435 HD23 LEU 55 HD23 LEU 55 2.158 6.421 -1.887 436 H ARG 56 HN ARG 56 4.326 7.922 1.198 437 HA ARG 56 HA ARG 56 3.442 10.340 2.462 438 HB2 ARG 56 HB2 ARG 56 5.857 9.952 0.627 439 HB3 ARG 56 HB1 ARG 56 5.630 11.264 1.774 440 HG2 ARG 56 HG2 ARG 56 6.069 8.340 2.435 441 HG3 ARG 56 HG1 ARG 56 7.229 9.653 2.646 442 HD2 ARG 56 HD2 ARG 56 5.760 10.689 4.333 443 HD3 ARG 56 HD1 ARG 56 4.572 9.404 4.103 444 HE ARG 56 HE ARG 56 7.300 8.952 5.161 445 HH11 ARG 56 HH11 ARG 56 3.846 8.259 5.266 446 HH12 ARG 56 HH12 ARG 56 4.003 7.117 6.564 447 HH21 ARG 56 HH21 ARG 56 6.060 6.694 7.492 448 HH22 ARG 56 HH22 ARG 56 7.472 7.515 6.901 449 HA PRO 57 HA PRO 57 0.975 11.700 -1.108 450 HB2 PRO 57 HB2 PRO 57 1.417 14.457 0.065 451 HB3 PRO 57 HB1 PRO 57 -0.100 13.659 -0.417 452 HG2 PRO 57 HG2 PRO 57 0.504 13.851 2.146 453 HG3 PRO 57 HG1 PRO 57 -0.189 12.340 1.507 454 HD2 PRO 57 HD2 PRO 57 2.686 12.943 2.213 455 HD3 PRO 57 HD1 PRO 57 1.733 11.474 2.524 456 H ASP 58 HN ASP 58 4.127 13.001 -0.384 457 HA ASP 58 HA ASP 58 4.527 14.670 -2.651 458 HB2 ASP 58 HB2 ASP 58 5.873 14.886 -0.626 459 HB3 ASP 58 HB1 ASP 58 6.505 13.255 -0.816 460 H VAL 59 HN VAL 59 4.531 11.275 -2.292 461 HA VAL 59 HA VAL 59 6.361 10.259 -4.069 462 HB VAL 59 HB VAL 59 4.916 8.969 -2.457 463 HG11 VAL 59 HG11 VAL 59 2.702 8.191 -3.151 464 HG12 VAL 59 HG12 VAL 59 2.797 9.186 -4.605 465 HG13 VAL 59 HG13 VAL 59 2.761 9.949 -3.015 466 HG21 VAL 59 HG21 VAL 59 4.755 6.896 -3.801 467 HG22 VAL 59 HG22 VAL 59 6.277 7.739 -4.089 468 HG23 VAL 59 HG23 VAL 59 4.980 7.834 -5.281 469 H PHE 60 HN PHE 60 3.381 11.906 -4.817 470 HA PHE 60 HA PHE 60 2.768 11.005 -7.393 471 HB2 PHE 60 HB2 PHE 60 2.430 13.835 -6.329 472 HB3 PHE 60 HB1 PHE 60 1.531 13.113 -7.660 473 HD1 PHE 60 HD1 PHE 60 0.279 14.507 -5.316 474 HD2 PHE 60 HD2 PHE 60 1.254 10.377 -5.892 475 HE1 PHE 60 HE1 PHE 60 -1.473 13.863 -3.713 476 HE2 PHE 60 HE2 PHE 60 -0.495 9.757 -4.291 477 HZ PHE 60 HZ PHE 60 -1.863 11.486 -3.199 478 H GLY 61 HN GLY 61 4.340 14.126 -6.617 479 HA2 GLY 61 HA2 GLY 61 5.761 14.132 -9.203 480 HA3 GLY 61 HA1 GLY 61 5.506 15.513 -8.139 481 H ALA 62 HN ALA 62 6.820 12.249 -7.732 482 HA ALA 62 HA ALA 62 9.313 13.353 -6.581 483 HB1 ALA 62 HB1 ALA 62 9.360 11.368 -5.096 484 HB2 ALA 62 HB2 ALA 62 7.817 10.830 -5.770 485 HB3 ALA 62 HB3 ALA 62 7.895 12.330 -4.848 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -5.091 -4.521 13.813 2 H2 MET 1 HT2 MET 1 -6.308 -5.381 13.024 3 H3 MET 1 HT3 MET 1 -6.422 -3.700 13.170 4 HA MET 1 HA MET 1 -5.794 -4.340 10.963 5 HB2 MET 1 HB2 MET 1 -3.743 -2.914 10.749 6 HB3 MET 1 HB1 MET 1 -4.996 -2.173 11.728 7 HG2 MET 1 HG2 MET 1 -3.763 -2.805 13.780 8 HG3 MET 1 HG1 MET 1 -2.494 -3.521 12.787 9 HE1 MET 1 HE1 MET 1 -0.887 -2.070 11.163 10 HE2 MET 1 HE2 MET 1 -1.000 -0.316 10.997 11 HE3 MET 1 HE3 MET 1 -2.282 -1.348 10.364 12 H LYS 2 HN LYS 2 -4.953 -5.915 9.742 13 HA LYS 2 HA LYS 2 -2.753 -7.590 10.788 14 HB2 LYS 2 HB2 LYS 2 -3.545 -9.369 9.364 15 HB3 LYS 2 HB1 LYS 2 -4.934 -8.722 10.226 16 HG2 LYS 2 HG2 LYS 2 -5.301 -7.302 8.052 17 HG3 LYS 2 HG1 LYS 2 -4.236 -8.487 7.300 18 HD2 LYS 2 HD2 LYS 2 -6.563 -9.132 6.939 19 HD3 LYS 2 HD1 LYS 2 -5.791 -10.305 8.010 20 HE2 LYS 2 HE2 LYS 2 -6.853 -9.302 9.953 21 HE3 LYS 2 HE1 LYS 2 -7.526 -7.999 8.970 22 HZ1 LYS 2 HZ1 LYS 2 -8.861 -9.614 7.801 23 HZ2 LYS 2 HZ2 LYS 2 -9.156 -9.710 9.461 24 HZ3 LYS 2 HZ3 LYS 2 -8.198 -10.875 8.705 25 H LYS 3 HN LYS 3 -1.117 -8.239 9.228 26 HA LYS 3 HA LYS 3 -0.417 -6.011 7.401 27 HB2 LYS 3 HB2 LYS 3 1.445 -7.677 9.157 28 HB3 LYS 3 HB1 LYS 3 1.902 -6.295 8.160 29 HG2 LYS 3 HG2 LYS 3 0.654 -4.773 9.595 30 HG3 LYS 3 HG1 LYS 3 -0.024 -6.120 10.504 31 HD2 LYS 3 HD2 LYS 3 1.667 -5.265 11.903 32 HD3 LYS 3 HD1 LYS 3 2.400 -6.692 11.175 33 HE2 LYS 3 HE2 LYS 3 2.834 -3.840 10.233 34 HE3 LYS 3 HE1 LYS 3 3.927 -4.726 11.288 35 HZ1 LYS 3 HZ1 LYS 3 4.263 -6.333 9.472 36 HZ2 LYS 3 HZ2 LYS 3 4.713 -4.763 9.038 37 HZ3 LYS 3 HZ3 LYS 3 3.263 -5.400 8.472 38 H ILE 4 HN ILE 4 -0.591 -6.769 5.409 39 HA ILE 4 HA ILE 4 0.098 -9.546 4.694 40 HB ILE 4 HB ILE 4 -1.502 -7.431 3.221 41 HG12 ILE 4 HG12 ILE 4 -2.380 -9.889 4.786 42 HG13 ILE 4 HG11 ILE 4 -2.812 -8.205 5.079 43 HG21 ILE 4 HG21 ILE 4 -1.146 -10.317 2.343 44 HG22 ILE 4 HG22 ILE 4 -0.373 -8.917 1.598 45 HG23 ILE 4 HG23 ILE 4 -2.127 -9.074 1.544 46 HD11 ILE 4 HD11 ILE 4 -3.728 -10.002 2.876 47 HD12 ILE 4 HD12 ILE 4 -3.978 -8.254 2.842 48 HD13 ILE 4 HD13 ILE 4 -4.689 -9.230 4.139 49 HA PRO 5 HA PRO 5 3.828 -7.895 2.659 50 HB2 PRO 5 HB2 PRO 5 3.544 -10.302 0.849 51 HB3 PRO 5 HB1 PRO 5 4.909 -9.825 1.886 52 HG2 PRO 5 HG2 PRO 5 3.360 -11.889 2.568 53 HG3 PRO 5 HG1 PRO 5 3.966 -10.762 3.807 54 HD2 PRO 5 HD2 PRO 5 1.228 -10.844 2.518 55 HD3 PRO 5 HD1 PRO 5 1.640 -10.650 4.232 56 H LEU 6 HN LEU 6 4.005 -6.454 0.960 57 HA LEU 6 HA LEU 6 1.880 -5.354 -0.333 58 HB2 LEU 6 HB2 LEU 6 3.989 -4.187 -0.142 59 HB3 LEU 6 HB1 LEU 6 4.803 -5.376 -1.139 60 HG LEU 6 HG LEU 6 3.538 -4.587 -3.127 61 HD11 LEU 6 HD11 LEU 6 2.396 -2.448 -1.310 62 HD12 LEU 6 HD12 LEU 6 1.501 -3.767 -2.072 63 HD13 LEU 6 HD13 LEU 6 2.238 -2.516 -3.067 64 HD21 LEU 6 HD21 LEU 6 5.747 -3.632 -2.663 65 HD22 LEU 6 HD22 LEU 6 5.010 -2.356 -1.693 66 HD23 LEU 6 HD23 LEU 6 4.694 -2.446 -3.428 67 H SER 7 HN SER 7 4.176 -7.637 -1.748 68 HA SER 7 HA SER 7 3.133 -7.795 -4.345 69 HB2 SER 7 HB2 SER 7 4.525 -9.916 -4.444 70 HB3 SER 7 HB1 SER 7 5.392 -8.499 -3.848 71 HG SER 7 HG SER 7 5.856 -10.100 -2.424 72 H LYS 8 HN LYS 8 2.505 -9.800 -1.465 73 HA LYS 8 HA LYS 8 0.803 -11.694 -2.798 74 HB2 LYS 8 HB2 LYS 8 1.612 -11.201 0.062 75 HB3 LYS 8 HB1 LYS 8 0.188 -12.191 -0.226 76 HG2 LYS 8 HG2 LYS 8 2.159 -13.594 0.058 77 HG3 LYS 8 HG1 LYS 8 1.516 -13.764 -1.577 78 HD2 LYS 8 HD2 LYS 8 3.278 -12.089 -2.334 79 HD3 LYS 8 HD1 LYS 8 3.976 -12.199 -0.713 80 HE2 LYS 8 HE2 LYS 8 4.376 -14.608 -1.033 81 HE3 LYS 8 HE1 LYS 8 3.609 -14.542 -2.623 82 HZ1 LYS 8 HZ1 LYS 8 6.107 -13.140 -1.831 83 HZ2 LYS 8 HZ2 LYS 8 5.365 -13.021 -3.344 84 HZ3 LYS 8 HZ3 LYS 8 6.001 -14.500 -2.827 85 H TYR 9 HN TYR 9 0.230 -8.670 -1.109 86 HA TYR 9 HA TYR 9 -2.615 -8.834 -1.056 87 HB2 TYR 9 HB2 TYR 9 -1.459 -7.183 0.343 88 HB3 TYR 9 HB1 TYR 9 -0.780 -6.390 -1.056 89 HD1 TYR 9 HD1 TYR 9 -3.875 -7.016 0.832 90 HD2 TYR 9 HD2 TYR 9 -2.142 -4.781 -2.371 91 HE1 TYR 9 HE1 TYR 9 -5.889 -5.650 0.693 92 HE2 TYR 9 HE2 TYR 9 -4.170 -3.398 -2.503 93 HH TYR 9 HH TYR 9 -6.645 -3.487 -0.144 94 H LEU 10 HN LEU 10 -0.231 -7.685 -3.396 95 HA LEU 10 HA LEU 10 -2.074 -6.623 -5.284 96 HB2 LEU 10 HB2 LEU 10 0.836 -7.422 -5.595 97 HB3 LEU 10 HB1 LEU 10 -0.094 -6.574 -6.825 98 HG LEU 10 HG LEU 10 0.571 -5.492 -4.055 99 HD11 LEU 10 HD11 LEU 10 2.024 -3.891 -5.225 100 HD12 LEU 10 HD12 LEU 10 1.690 -4.697 -6.760 101 HD13 LEU 10 HD13 LEU 10 2.546 -5.556 -5.476 102 HD21 LEU 10 HD21 LEU 10 -0.932 -4.163 -6.332 103 HD22 LEU 10 HD22 LEU 10 -0.409 -3.362 -4.847 104 HD23 LEU 10 HD23 LEU 10 -1.599 -4.657 -4.773 105 H GLU 11 HN GLU 11 -0.795 -9.848 -4.747 106 HA GLU 11 HA GLU 11 -1.591 -10.864 -7.335 107 HB2 GLU 11 HB2 GLU 11 -0.693 -12.317 -4.806 108 HB3 GLU 11 HB1 GLU 11 -1.054 -13.122 -6.331 109 HG2 GLU 11 HG2 GLU 11 1.167 -11.115 -5.830 110 HG3 GLU 11 HG1 GLU 11 1.350 -12.847 -6.069 111 H GLU 12 HN GLU 12 -2.880 -11.072 -4.007 112 HA GLU 12 HA GLU 12 -5.020 -12.872 -4.944 113 HB2 GLU 12 HB2 GLU 12 -3.558 -13.641 -3.098 114 HB3 GLU 12 HB1 GLU 12 -4.068 -12.275 -2.110 115 HG2 GLU 12 HG2 GLU 12 -6.398 -13.137 -2.150 116 HG3 GLU 12 HG1 GLU 12 -5.867 -14.515 -3.112 117 H HIS 13 HN HIS 13 -4.631 -9.773 -3.185 118 HA HIS 13 HA HIS 13 -7.495 -9.777 -2.470 119 HB2 HIS 13 HB2 HIS 13 -5.136 -8.160 -1.465 120 HB3 HIS 13 HB1 HIS 13 -6.796 -7.805 -0.999 121 HD1 HIS 13 HD1 HIS 13 -7.421 -8.806 1.153 122 HD2 HIS 13 HD2 HIS 13 -4.493 -11.046 -0.769 123 HE1 HIS 13 HE1 HIS 13 -6.819 -10.642 2.745 124 HE2 HIS 13 HE2 HIS 13 -5.287 -12.152 1.440 125 H GLY 14 HN GLY 14 -5.127 -7.582 -4.004 126 HA2 GLY 14 HA2 GLY 14 -7.244 -6.190 -5.463 127 HA3 GLY 14 HA1 GLY 14 -6.349 -5.238 -4.277 128 H THR 15 HN THR 15 -6.311 -4.591 -7.005 129 HA THR 15 HA THR 15 -3.752 -5.499 -8.116 130 HB THR 15 HB THR 15 -4.409 -4.016 -10.074 131 HG1 THR 15 HG1 THR 15 -6.966 -3.831 -8.851 132 HG21 THR 15 HG21 THR 15 -6.509 -6.063 -9.271 133 HG22 THR 15 HG22 THR 15 -4.987 -6.424 -10.087 134 HG23 THR 15 HG23 THR 15 -6.220 -5.468 -10.908 135 H GLN 16 HN GLN 16 -2.408 -3.633 -9.134 136 HA GLN 16 HA GLN 16 -1.515 -1.878 -7.057 137 HB2 GLN 16 HB2 GLN 16 -0.744 -1.786 -10.014 138 HB3 GLN 16 HB1 GLN 16 0.082 -0.948 -8.712 139 HG2 GLN 16 HG2 GLN 16 1.441 -2.798 -9.223 140 HG3 GLN 16 HG1 GLN 16 0.610 -3.239 -7.732 141 HE21 GLN 16 HE21 GLN 16 -0.943 -4.917 -7.809 142 HE22 GLN 16 HE22 GLN 16 -1.069 -5.993 -9.150 143 H SER 17 HN SER 17 -3.573 -1.608 -9.866 144 HA SER 17 HA SER 17 -4.033 1.179 -9.938 145 HB2 SER 17 HB2 SER 17 -5.963 -1.055 -10.704 146 HB3 SER 17 HB1 SER 17 -5.996 0.611 -11.291 147 HG SER 17 HG SER 17 -4.061 0.228 -12.382 148 H ALA 18 HN ALA 18 -5.770 -1.489 -8.335 149 HA ALA 18 HA ALA 18 -7.836 -0.006 -7.103 150 HB1 ALA 18 HB1 ALA 18 -7.899 -2.467 -7.376 151 HB2 ALA 18 HB2 ALA 18 -8.190 -1.991 -5.702 152 HB3 ALA 18 HB3 ALA 18 -6.612 -2.630 -6.173 153 H LEU 19 HN LEU 19 -4.626 -0.933 -6.061 154 HA LEU 19 HA LEU 19 -4.927 -0.191 -3.328 155 HB2 LEU 19 HB2 LEU 19 -3.330 -1.916 -3.953 156 HB3 LEU 19 HB1 LEU 19 -2.458 -0.799 -4.992 157 HG LEU 19 HG LEU 19 -1.708 0.486 -3.016 158 HD11 LEU 19 HD11 LEU 19 -3.577 0.107 -1.490 159 HD12 LEU 19 HD12 LEU 19 -2.052 -0.320 -0.727 160 HD13 LEU 19 HD13 LEU 19 -3.126 -1.593 -1.314 161 HD21 LEU 19 HD21 LEU 19 -0.120 -1.153 -2.122 162 HD22 LEU 19 HD22 LEU 19 -0.296 -1.338 -3.863 163 HD23 LEU 19 HD23 LEU 19 -1.089 -2.479 -2.774 164 H ALA 20 HN ALA 20 -3.324 1.278 -6.140 165 HA ALA 20 HA ALA 20 -2.378 3.656 -4.952 166 HB1 ALA 20 HB1 ALA 20 -1.609 2.844 -7.145 167 HB2 ALA 20 HB2 ALA 20 -2.187 4.505 -7.257 168 HB3 ALA 20 HB3 ALA 20 -3.195 3.178 -7.847 169 H ALA 21 HN ALA 21 -5.484 2.863 -6.498 170 HA ALA 21 HA ALA 21 -6.668 5.430 -6.422 171 HB1 ALA 21 HB1 ALA 21 -8.805 4.249 -6.755 172 HB2 ALA 21 HB2 ALA 21 -8.022 2.711 -6.364 173 HB3 ALA 21 HB3 ALA 21 -7.542 3.602 -7.807 174 H ALA 22 HN ALA 22 -6.560 2.763 -4.105 175 HA ALA 22 HA ALA 22 -8.338 3.777 -2.144 176 HB1 ALA 22 HB1 ALA 22 -6.019 1.849 -1.786 177 HB2 ALA 22 HB2 ALA 22 -7.671 1.413 -2.228 178 HB3 ALA 22 HB3 ALA 22 -7.335 2.106 -0.639 179 H LEU 23 HN LEU 23 -4.814 3.995 -2.550 180 HA LEU 23 HA LEU 23 -4.342 5.545 -0.162 181 HB2 LEU 23 HB2 LEU 23 -2.467 5.016 -2.503 182 HB3 LEU 23 HB1 LEU 23 -2.005 5.621 -0.918 183 HG LEU 23 HG LEU 23 -3.043 2.828 -1.542 184 HD11 LEU 23 HD11 LEU 23 -0.745 3.170 -2.311 185 HD12 LEU 23 HD12 LEU 23 -0.786 2.058 -0.945 186 HD13 LEU 23 HD13 LEU 23 -0.272 3.729 -0.704 187 HD21 LEU 23 HD21 LEU 23 -3.845 3.498 0.655 188 HD22 LEU 23 HD22 LEU 23 -2.219 3.991 1.133 189 HD23 LEU 23 HD23 LEU 23 -2.572 2.289 0.832 190 H GLY 24 HN GLY 24 -5.409 6.306 -3.311 191 HA2 GLY 24 HA2 GLY 24 -5.970 8.320 -4.298 192 HA3 GLY 24 HA1 GLY 24 -5.336 9.157 -2.885 193 H VAL 25 HN VAL 25 -3.212 6.897 -4.334 194 HA VAL 25 HA VAL 25 -1.486 9.041 -5.408 195 HB VAL 25 HB VAL 25 0.417 7.609 -4.940 196 HG11 VAL 25 HG11 VAL 25 -1.453 7.469 -2.556 197 HG12 VAL 25 HG12 VAL 25 -0.456 8.860 -2.997 198 HG13 VAL 25 HG13 VAL 25 0.307 7.348 -2.505 199 HG21 VAL 25 HG21 VAL 25 -1.545 5.407 -4.161 200 HG22 VAL 25 HG22 VAL 25 0.209 5.316 -3.990 201 HG23 VAL 25 HG23 VAL 25 -0.512 5.420 -5.594 202 H ASN 26 HN ASN 26 0.066 8.072 -7.171 203 HA ASN 26 HA ASN 26 -1.456 6.611 -9.229 204 HB2 ASN 26 HB2 ASN 26 1.316 7.902 -9.289 205 HB3 ASN 26 HB1 ASN 26 0.532 7.137 -10.674 206 HD21 ASN 26 HD21 ASN 26 1.404 9.956 -10.179 207 HD22 ASN 26 HD22 ASN 26 0.004 10.913 -10.495 208 H GLN 27 HN GLN 27 -0.527 4.699 -10.237 209 HA GLN 27 HA GLN 27 0.407 2.665 -8.495 210 HB2 GLN 27 HB2 GLN 27 0.626 2.720 -11.547 211 HB3 GLN 27 HB1 GLN 27 0.724 1.286 -10.522 212 HG2 GLN 27 HG2 GLN 27 -1.638 1.605 -9.859 213 HG3 GLN 27 HG1 GLN 27 -1.730 3.031 -10.899 214 HE21 GLN 27 HE21 GLN 27 -1.627 2.745 -13.183 215 HE22 GLN 27 HE22 GLN 27 -1.946 1.211 -13.910 216 H SER 28 HN SER 28 2.067 5.048 -10.345 217 HA SER 28 HA SER 28 4.636 4.196 -10.667 218 HB2 SER 28 HB2 SER 28 3.800 6.947 -9.630 219 HB3 SER 28 HB1 SER 28 5.268 6.563 -10.539 220 HG SER 28 HG SER 28 3.726 5.789 -12.229 221 H ALA 29 HN ALA 29 3.261 5.650 -7.730 222 HA ALA 29 HA ALA 29 5.406 5.615 -5.950 223 HB1 ALA 29 HB1 ALA 29 2.462 5.159 -5.359 224 HB2 ALA 29 HB2 ALA 29 3.255 6.723 -5.554 225 HB3 ALA 29 HB3 ALA 29 3.687 5.678 -4.207 226 H ILE 30 HN ILE 30 2.872 3.073 -6.308 227 HA ILE 30 HA ILE 30 3.899 1.216 -4.489 228 HB ILE 30 HB ILE 30 2.191 0.807 -6.985 229 HG12 ILE 30 HG12 ILE 30 0.435 0.144 -5.230 230 HG13 ILE 30 HG11 ILE 30 1.545 0.719 -3.995 231 HG21 ILE 30 HG21 ILE 30 2.972 -1.376 -5.024 232 HG22 ILE 30 HG22 ILE 30 3.435 -1.274 -6.724 233 HG23 ILE 30 HG23 ILE 30 1.746 -1.519 -6.289 234 HD11 ILE 30 HD11 ILE 30 1.408 2.962 -4.963 235 HD12 ILE 30 HD12 ILE 30 -0.170 2.330 -4.481 236 HD13 ILE 30 HD13 ILE 30 0.290 2.349 -6.185 237 H SER 31 HN SER 31 4.552 1.581 -7.966 238 HA SER 31 HA SER 31 6.256 -0.705 -8.180 239 HB2 SER 31 HB2 SER 31 5.782 1.606 -10.102 240 HB3 SER 31 HB1 SER 31 6.591 0.084 -10.511 241 HG SER 31 HG SER 31 3.930 0.632 -10.273 242 H GLN 32 HN GLN 32 6.867 2.654 -7.378 243 HA GLN 32 HA GLN 32 9.708 2.611 -7.879 244 HB2 GLN 32 HB2 GLN 32 8.032 4.432 -6.092 245 HB3 GLN 32 HB1 GLN 32 9.766 4.628 -6.321 246 HG2 GLN 32 HG2 GLN 32 7.728 4.804 -8.558 247 HG3 GLN 32 HG1 GLN 32 8.345 6.186 -7.663 248 HE21 GLN 32 HE21 GLN 32 9.158 7.127 -9.560 249 HE22 GLN 32 HE22 GLN 32 10.560 6.524 -10.366 250 H MET 33 HN MET 33 7.592 1.977 -5.150 251 HA MET 33 HA MET 33 9.585 1.508 -3.159 252 HB2 MET 33 HB2 MET 33 6.697 0.618 -3.235 253 HB3 MET 33 HB1 MET 33 7.732 0.682 -1.816 254 HG2 MET 33 HG2 MET 33 7.816 3.315 -2.796 255 HG3 MET 33 HG1 MET 33 6.159 2.805 -3.071 256 HE1 MET 33 HE1 MET 33 6.090 0.569 -0.720 257 HE2 MET 33 HE2 MET 33 4.708 1.594 -1.135 258 HE3 MET 33 HE3 MET 33 5.247 1.479 0.540 259 H VAL 34 HN VAL 34 7.791 -0.538 -5.399 260 HA VAL 34 HA VAL 34 8.755 -3.072 -4.578 261 HB VAL 34 HB VAL 34 7.677 -2.088 -7.271 262 HG11 VAL 34 HG11 VAL 34 8.268 -4.974 -6.500 263 HG12 VAL 34 HG12 VAL 34 9.130 -4.021 -7.709 264 HG13 VAL 34 HG13 VAL 34 7.439 -4.438 -7.966 265 HG21 VAL 34 HG21 VAL 34 6.364 -3.816 -5.124 266 HG22 VAL 34 HG22 VAL 34 5.627 -3.305 -6.646 267 HG23 VAL 34 HG23 VAL 34 6.032 -2.108 -5.422 268 H ARG 35 HN ARG 35 9.842 -0.835 -7.170 269 HA ARG 35 HA ARG 35 12.078 -2.461 -7.957 270 HB2 ARG 35 HB2 ARG 35 11.272 0.356 -8.738 271 HB3 ARG 35 HB1 ARG 35 12.667 -0.473 -9.423 272 HG2 ARG 35 HG2 ARG 35 11.154 -2.237 -10.318 273 HG3 ARG 35 HG1 ARG 35 9.771 -1.346 -9.666 274 HD2 ARG 35 HD2 ARG 35 11.703 -0.393 -11.812 275 HD3 ARG 35 HD1 ARG 35 10.016 -0.855 -12.043 276 HE ARG 35 HE ARG 35 10.926 1.530 -10.533 277 HH11 ARG 35 HH11 ARG 35 8.505 -0.020 -12.561 278 HH12 ARG 35 HH12 ARG 35 7.511 1.398 -12.644 279 HH21 ARG 35 HH21 ARG 35 8.140 3.317 -11.572 280 HH22 ARG 35 HH22 ARG 35 9.619 3.368 -10.668 281 H ALA 36 HN ALA 36 11.681 -0.203 -5.435 282 HA ALA 36 HA ALA 36 14.386 0.691 -5.154 283 HB1 ALA 36 HB1 ALA 36 12.507 1.804 -4.009 284 HB2 ALA 36 HB2 ALA 36 13.726 1.279 -2.846 285 HB3 ALA 36 HB3 ALA 36 12.231 0.357 -3.035 286 H GLY 37 HN GLY 37 12.868 -2.338 -4.680 287 HA2 GLY 37 HA2 GLY 37 13.695 -4.403 -4.045 288 HA3 GLY 37 HA1 GLY 37 15.231 -3.638 -3.641 289 H ARG 38 HN ARG 38 12.559 -2.052 -2.300 290 HA ARG 38 HA ARG 38 13.234 -2.932 0.399 291 HB2 ARG 38 HB2 ARG 38 13.174 -0.511 -0.091 292 HB3 ARG 38 HB1 ARG 38 11.509 -0.640 -0.632 293 HG2 ARG 38 HG2 ARG 38 11.480 0.346 1.540 294 HG3 ARG 38 HG1 ARG 38 10.862 -1.294 1.712 295 HD2 ARG 38 HD2 ARG 38 13.704 -0.444 2.380 296 HD3 ARG 38 HD1 ARG 38 12.396 -0.568 3.556 297 HE ARG 38 HE ARG 38 13.830 -2.764 2.255 298 HH11 ARG 38 HH11 ARG 38 11.089 -3.432 5.100 299 HH12 ARG 38 HH12 ARG 38 11.237 -1.843 4.429 300 HH21 ARG 38 HH21 ARG 38 12.390 -5.126 4.371 301 HH22 ARG 38 HH22 ARG 38 13.562 -4.858 3.124 302 H CYS 39 HN CYS 39 12.091 -4.588 1.199 303 HA CYS 39 HA CYS 39 9.616 -5.546 0.222 304 HB2 CYS 39 HB2 CYS 39 11.148 -7.038 1.384 305 HB3 CYS 39 HB1 CYS 39 11.041 -6.089 2.862 306 HG CYS 39 HG CYS 39 8.620 -6.898 3.635 307 H ILE 40 HN ILE 40 7.741 -4.559 0.407 308 HA ILE 40 HA ILE 40 7.122 -2.874 2.778 309 HB ILE 40 HB ILE 40 5.730 -2.834 0.049 310 HG12 ILE 40 HG12 ILE 40 8.119 -2.145 -0.177 311 HG13 ILE 40 HG11 ILE 40 6.993 -0.852 -0.548 312 HG21 ILE 40 HG21 ILE 40 4.775 -0.703 0.769 313 HG22 ILE 40 HG22 ILE 40 5.588 -0.839 2.330 314 HG23 ILE 40 HG23 ILE 40 4.334 -1.997 1.879 315 HD11 ILE 40 HD11 ILE 40 8.532 -1.137 2.030 316 HD12 ILE 40 HD12 ILE 40 7.443 0.188 1.602 317 HD13 ILE 40 HD13 ILE 40 8.932 -0.061 0.693 318 H ASP 41 HN ASP 41 5.049 -3.144 3.782 319 HA ASP 41 HA ASP 41 3.337 -5.344 2.817 320 HB2 ASP 41 HB2 ASP 41 2.809 -6.044 5.062 321 HB3 ASP 41 HB1 ASP 41 4.549 -6.102 4.859 322 H ILE 42 HN ILE 42 1.139 -4.989 2.927 323 HA ILE 42 HA ILE 42 0.264 -2.217 3.233 324 HB ILE 42 HB ILE 42 -1.109 -4.634 1.959 325 HG12 ILE 42 HG12 ILE 42 0.795 -3.803 0.642 326 HG13 ILE 42 HG11 ILE 42 -0.708 -3.404 -0.178 327 HG21 ILE 42 HG21 ILE 42 -2.080 -1.748 2.048 328 HG22 ILE 42 HG22 ILE 42 -2.820 -3.119 2.877 329 HG23 ILE 42 HG23 ILE 42 -2.818 -3.054 1.115 330 HD11 ILE 42 HD11 ILE 42 1.004 -1.492 1.432 331 HD12 ILE 42 HD12 ILE 42 -0.522 -1.082 0.648 332 HD13 ILE 42 HD13 ILE 42 0.868 -1.555 -0.326 333 H GLU 43 HN GLU 43 -1.160 -1.544 4.696 334 HA GLU 43 HA GLU 43 -1.686 -3.242 7.021 335 HB2 GLU 43 HB2 GLU 43 -2.111 -0.250 6.582 336 HB3 GLU 43 HB1 GLU 43 -2.236 -1.098 8.122 337 HG2 GLU 43 HG2 GLU 43 0.115 -1.519 8.203 338 HG3 GLU 43 HG1 GLU 43 0.323 -1.076 6.511 339 H LEU 44 HN LEU 44 -3.455 -4.493 6.672 340 HA LEU 44 HA LEU 44 -5.931 -3.495 5.495 341 HB2 LEU 44 HB2 LEU 44 -4.893 -6.155 6.429 342 HB3 LEU 44 HB1 LEU 44 -6.626 -5.943 6.390 343 HG LEU 44 HG LEU 44 -5.778 -7.078 4.387 344 HD11 LEU 44 HD11 LEU 44 -7.021 -4.374 3.815 345 HD12 LEU 44 HD12 LEU 44 -7.871 -5.869 4.212 346 HD13 LEU 44 HD13 LEU 44 -6.981 -5.742 2.697 347 HD21 LEU 44 HD21 LEU 44 -4.340 -4.494 3.689 348 HD22 LEU 44 HD22 LEU 44 -4.433 -5.959 2.702 349 HD23 LEU 44 HD23 LEU 44 -3.563 -5.985 4.231 350 H TYR 45 HN TYR 45 -7.587 -2.726 6.615 351 HA TYR 45 HA TYR 45 -7.754 -2.840 9.531 352 HB2 TYR 45 HB2 TYR 45 -9.276 -1.335 7.373 353 HB3 TYR 45 HB1 TYR 45 -9.799 -1.330 9.052 354 HD1 TYR 45 HD1 TYR 45 -8.589 -0.030 10.742 355 HD2 TYR 45 HD2 TYR 45 -7.146 -0.174 6.715 356 HE1 TYR 45 HE1 TYR 45 -7.072 1.839 11.215 357 HE2 TYR 45 HE2 TYR 45 -5.629 1.705 7.200 358 HH TYR 45 HH TYR 45 -5.437 3.558 8.784 359 H THR 46 HN THR 46 -10.028 -3.338 10.435 360 HA THR 46 HA THR 46 -10.523 -6.070 9.782 361 HB THR 46 HB THR 46 -10.706 -5.169 12.118 362 HG1 THR 46 HG1 THR 46 -13.184 -6.350 11.401 363 HG21 THR 46 HG21 THR 46 -12.833 -4.129 12.841 364 HG22 THR 46 HG22 THR 46 -13.346 -4.015 11.156 365 HG23 THR 46 HG23 THR 46 -11.949 -3.096 11.719 366 H ASP 47 HN ASP 47 -12.073 -3.098 8.816 367 HA ASP 47 HA ASP 47 -14.468 -4.349 7.745 368 HB2 ASP 47 HB2 ASP 47 -15.056 -2.113 6.954 369 HB3 ASP 47 HB1 ASP 47 -14.470 -1.997 8.608 370 H GLY 48 HN GLY 48 -11.251 -3.773 6.673 371 HA2 GLY 48 HA2 GLY 48 -10.476 -5.100 4.770 372 HA3 GLY 48 HA1 GLY 48 -11.927 -4.618 3.907 373 H ARG 49 HN ARG 49 -11.073 -1.861 5.446 374 HA ARG 49 HA ARG 49 -10.101 -0.479 3.189 375 HB2 ARG 49 HB2 ARG 49 -11.248 0.707 4.949 376 HB3 ARG 49 HB1 ARG 49 -10.076 0.198 6.158 377 HG2 ARG 49 HG2 ARG 49 -8.352 1.626 5.115 378 HG3 ARG 49 HG1 ARG 49 -9.494 2.101 3.856 379 HD2 ARG 49 HD2 ARG 49 -9.883 2.654 6.819 380 HD3 ARG 49 HD1 ARG 49 -9.209 3.811 5.668 381 HE ARG 49 HE ARG 49 -11.986 2.852 5.790 382 HH11 ARG 49 HH11 ARG 49 -9.650 5.026 4.292 383 HH12 ARG 49 HH12 ARG 49 -10.870 5.990 3.531 384 HH21 ARG 49 HH21 ARG 49 -13.081 5.484 3.799 385 HH22 ARG 49 HH22 ARG 49 -13.553 4.125 4.769 386 H VAL 50 HN VAL 50 -8.024 0.293 2.612 387 HA VAL 50 HA VAL 50 -5.717 -0.742 4.162 388 HB VAL 50 HB VAL 50 -4.441 -0.973 2.034 389 HG11 VAL 50 HG11 VAL 50 -5.509 -2.931 3.052 390 HG12 VAL 50 HG12 VAL 50 -5.482 -3.064 1.295 391 HG13 VAL 50 HG13 VAL 50 -6.982 -2.633 2.122 392 HG21 VAL 50 HG21 VAL 50 -7.106 -0.495 0.623 393 HG22 VAL 50 HG22 VAL 50 -5.607 -1.026 -0.150 394 HG23 VAL 50 HG23 VAL 50 -5.702 0.577 0.579 395 H GLU 51 HN GLU 51 -4.256 0.734 4.766 396 HA GLU 51 HA GLU 51 -3.821 3.135 3.126 397 HB2 GLU 51 HB2 GLU 51 -5.384 3.846 4.980 398 HB3 GLU 51 HB1 GLU 51 -4.174 3.337 6.155 399 HG2 GLU 51 HG2 GLU 51 -2.593 5.017 5.276 400 HG3 GLU 51 HG1 GLU 51 -3.770 5.512 4.064 401 H CYS 52 HN CYS 52 -1.726 3.361 2.774 402 HA CYS 52 HA CYS 52 0.200 1.741 4.282 403 HB2 CYS 52 HB2 CYS 52 0.007 1.556 1.750 404 HB3 CYS 52 HB1 CYS 52 0.619 3.204 1.647 405 HG CYS 52 HG CYS 52 2.738 1.641 1.024 406 H ARG 53 HN ARG 53 0.999 2.874 5.985 407 HA ARG 53 HA ARG 53 1.609 5.719 5.920 408 HB2 ARG 53 HB2 ARG 53 2.122 3.505 7.936 409 HB3 ARG 53 HB1 ARG 53 2.860 5.089 8.139 410 HG2 ARG 53 HG2 ARG 53 0.832 4.913 9.479 411 HG3 ARG 53 HG1 ARG 53 0.657 6.143 8.233 412 HD2 ARG 53 HD2 ARG 53 -0.643 4.514 6.856 413 HD3 ARG 53 HD1 ARG 53 -0.531 3.349 8.181 414 HE ARG 53 HE ARG 53 -1.879 5.980 8.369 415 HH11 ARG 53 HH11 ARG 53 -1.797 2.550 9.139 416 HH12 ARG 53 HH12 ARG 53 -3.259 2.635 10.067 417 HH21 ARG 53 HH21 ARG 53 -3.745 6.061 9.587 418 HH22 ARG 53 HH22 ARG 53 -4.364 4.619 10.327 419 H GLU 54 HN GLU 54 3.129 2.835 4.968 420 HA GLU 54 HA GLU 54 5.829 3.774 4.833 421 HB2 GLU 54 HB2 GLU 54 4.969 1.339 4.847 422 HB3 GLU 54 HB1 GLU 54 4.618 1.567 3.140 423 HG2 GLU 54 HG2 GLU 54 6.752 0.465 3.410 424 HG3 GLU 54 HG1 GLU 54 6.992 2.065 2.714 425 H LEU 55 HN LEU 55 2.950 4.190 2.882 426 HA LEU 55 HA LEU 55 4.437 5.780 0.903 427 HB2 LEU 55 HB2 LEU 55 4.101 3.431 0.060 428 HB3 LEU 55 HB1 LEU 55 2.375 3.680 0.122 429 HG LEU 55 HG LEU 55 3.534 3.852 -2.185 430 HD11 LEU 55 HD11 LEU 55 1.793 6.196 -1.340 431 HD12 LEU 55 HD12 LEU 55 1.224 4.614 -1.874 432 HD13 LEU 55 HD13 LEU 55 2.082 5.659 -2.996 433 HD21 LEU 55 HD21 LEU 55 4.589 5.998 -2.771 434 HD22 LEU 55 HD22 LEU 55 5.477 5.186 -1.483 435 HD23 LEU 55 HD23 LEU 55 4.422 6.549 -1.103 436 H ARG 56 HN ARG 56 3.609 7.640 1.789 437 HA ARG 56 HA ARG 56 0.732 8.176 1.318 438 HB2 ARG 56 HB2 ARG 56 2.776 10.033 2.629 439 HB3 ARG 56 HB1 ARG 56 1.040 10.262 2.539 440 HG2 ARG 56 HG2 ARG 56 1.246 9.551 4.716 441 HG3 ARG 56 HG1 ARG 56 0.957 8.003 3.915 442 HD2 ARG 56 HD2 ARG 56 2.790 7.786 5.496 443 HD3 ARG 56 HD1 ARG 56 3.409 7.609 3.850 444 HE ARG 56 HE ARG 56 3.606 10.310 4.706 445 HH11 ARG 56 HH11 ARG 56 6.741 7.952 5.634 446 HH12 ARG 56 HH12 ARG 56 5.231 7.216 5.212 447 HH21 ARG 56 HH21 ARG 56 5.551 11.251 5.323 448 HH22 ARG 56 HH22 ARG 56 6.927 10.262 5.701 449 HA PRO 57 HA PRO 57 1.487 10.475 -2.529 450 HB2 PRO 57 HB2 PRO 57 0.045 12.827 -1.284 451 HB3 PRO 57 HB1 PRO 57 -0.254 11.999 -2.828 452 HG2 PRO 57 HG2 PRO 57 -1.864 11.581 -0.767 453 HG3 PRO 57 HG1 PRO 57 -1.398 10.237 -1.835 454 HD2 PRO 57 HD2 PRO 57 -0.377 10.898 0.919 455 HD3 PRO 57 HD1 PRO 57 -0.734 9.314 0.198 456 H ASP 58 HN ASP 58 2.890 11.496 0.385 457 HA ASP 58 HA ASP 58 3.982 14.016 -0.170 458 HB2 ASP 58 HB2 ASP 58 5.021 11.764 1.625 459 HB3 ASP 58 HB1 ASP 58 5.709 13.385 1.593 460 H VAL 59 HN VAL 59 5.026 10.775 -0.978 461 HA VAL 59 HA VAL 59 7.693 11.065 -1.682 462 HB VAL 59 HB VAL 59 5.511 9.271 -2.807 463 HG11 VAL 59 HG11 VAL 59 7.308 7.766 -3.682 464 HG12 VAL 59 HG12 VAL 59 8.514 8.992 -3.277 465 HG13 VAL 59 HG13 VAL 59 7.285 9.329 -4.496 466 HG21 VAL 59 HG21 VAL 59 6.507 7.538 -1.349 467 HG22 VAL 59 HG22 VAL 59 5.962 8.939 -0.427 468 HG23 VAL 59 HG23 VAL 59 7.684 8.714 -0.750 469 H PHE 60 HN PHE 60 4.805 11.741 -3.578 470 HA PHE 60 HA PHE 60 6.032 12.284 -6.091 471 HB2 PHE 60 HB2 PHE 60 3.360 13.120 -4.903 472 HB3 PHE 60 HB1 PHE 60 3.810 13.378 -6.587 473 HD1 PHE 60 HD1 PHE 60 3.706 11.564 -8.188 474 HD2 PHE 60 HD2 PHE 60 3.028 10.771 -4.036 475 HE1 PHE 60 HE1 PHE 60 2.860 9.329 -8.754 476 HE2 PHE 60 HE2 PHE 60 2.172 8.543 -4.620 477 HZ PHE 60 HZ PHE 60 2.090 7.820 -6.971 478 H GLY 61 HN GLY 61 7.272 14.005 -6.588 479 HA2 GLY 61 HA2 GLY 61 7.969 16.203 -6.815 480 HA3 GLY 61 HA1 GLY 61 6.641 16.711 -5.782 481 H ALA 62 HN ALA 62 8.515 14.219 -4.445 482 HA ALA 62 HA ALA 62 9.850 16.088 -2.586 483 HB1 ALA 62 HB1 ALA 62 8.907 13.212 -2.193 484 HB2 ALA 62 HB2 ALA 62 8.161 14.669 -1.538 485 HB3 ALA 62 HB3 ALA 62 9.761 14.179 -0.974 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -6.932 -5.103 13.720 2 H2 MET 1 HT2 MET 1 -8.064 -5.979 12.827 3 H3 MET 1 HT3 MET 1 -8.221 -4.305 12.974 4 HA MET 1 HA MET 1 -7.378 -4.983 10.797 5 HB2 MET 1 HB2 MET 1 -6.825 -2.766 11.772 6 HB3 MET 1 HB1 MET 1 -5.406 -3.445 12.557 7 HG2 MET 1 HG2 MET 1 -5.778 -3.361 9.552 8 HG3 MET 1 HG1 MET 1 -4.970 -2.097 10.471 9 HE1 MET 1 HE1 MET 1 -1.839 -4.019 11.864 10 HE2 MET 1 HE2 MET 1 -3.392 -3.804 12.668 11 HE3 MET 1 HE3 MET 1 -2.662 -2.466 11.780 12 H LYS 2 HN LYS 2 -6.012 -6.285 9.624 13 HA LYS 2 HA LYS 2 -3.920 -7.854 11.014 14 HB2 LYS 2 HB2 LYS 2 -5.782 -8.745 8.755 15 HB3 LYS 2 HB1 LYS 2 -4.435 -9.697 9.378 16 HG2 LYS 2 HG2 LYS 2 -5.572 -9.717 11.626 17 HG3 LYS 2 HG1 LYS 2 -6.940 -8.888 10.880 18 HD2 LYS 2 HD2 LYS 2 -7.371 -11.308 11.043 19 HD3 LYS 2 HD1 LYS 2 -7.298 -10.796 9.355 20 HE2 LYS 2 HE2 LYS 2 -4.976 -11.644 9.200 21 HE3 LYS 2 HE1 LYS 2 -5.048 -12.161 10.886 22 HZ1 LYS 2 HZ1 LYS 2 -5.446 -13.974 9.318 23 HZ2 LYS 2 HZ2 LYS 2 -6.810 -13.176 8.717 24 HZ3 LYS 2 HZ3 LYS 2 -6.782 -13.714 10.320 25 H LYS 3 HN LYS 3 -1.919 -7.487 10.205 26 HA LYS 3 HA LYS 3 -1.519 -5.843 7.860 27 HB2 LYS 3 HB2 LYS 3 0.657 -7.223 9.485 28 HB3 LYS 3 HB1 LYS 3 0.805 -5.774 8.495 29 HG2 LYS 3 HG2 LYS 3 -0.677 -4.578 10.121 30 HG3 LYS 3 HG1 LYS 3 -0.683 -6.028 11.122 31 HD2 LYS 3 HD2 LYS 3 1.659 -4.200 10.504 32 HD3 LYS 3 HD1 LYS 3 0.929 -4.523 12.075 33 HE2 LYS 3 HE2 LYS 3 2.585 -6.442 10.406 34 HE3 LYS 3 HE1 LYS 3 3.064 -5.664 11.913 35 HZ1 LYS 3 HZ1 LYS 3 1.345 -6.891 13.056 36 HZ2 LYS 3 HZ2 LYS 3 2.396 -7.945 12.255 37 HZ3 LYS 3 HZ3 LYS 3 0.867 -7.630 11.611 38 H ILE 4 HN ILE 4 -0.566 -6.462 5.938 39 HA ILE 4 HA ILE 4 -0.287 -9.356 5.350 40 HB ILE 4 HB ILE 4 -1.665 -7.292 3.571 41 HG12 ILE 4 HG12 ILE 4 -2.887 -9.505 5.271 42 HG13 ILE 4 HG11 ILE 4 -3.145 -7.770 5.434 43 HG21 ILE 4 HG21 ILE 4 -0.564 -9.062 2.237 44 HG22 ILE 4 HG22 ILE 4 -2.317 -9.112 2.073 45 HG23 ILE 4 HG23 ILE 4 -1.490 -10.294 3.100 46 HD11 ILE 4 HD11 ILE 4 -4.040 -9.516 3.168 47 HD12 ILE 4 HD12 ILE 4 -4.247 -7.763 3.235 48 HD13 ILE 4 HD13 ILE 4 -5.041 -8.796 4.425 49 HA PRO 5 HA PRO 5 3.448 -7.948 3.063 50 HB2 PRO 5 HB2 PRO 5 3.091 -10.510 1.516 51 HB3 PRO 5 HB1 PRO 5 4.479 -9.970 2.489 52 HG2 PRO 5 HG2 PRO 5 2.912 -11.945 3.359 53 HG3 PRO 5 HG1 PRO 5 3.555 -10.730 4.496 54 HD2 PRO 5 HD2 PRO 5 0.816 -10.826 3.205 55 HD3 PRO 5 HD1 PRO 5 1.215 -10.574 4.913 56 H LEU 6 HN LEU 6 3.447 -6.595 1.299 57 HA LEU 6 HA LEU 6 1.233 -5.740 -0.052 58 HB2 LEU 6 HB2 LEU 6 3.331 -4.482 -0.021 59 HB3 LEU 6 HB1 LEU 6 4.108 -5.701 -1.008 60 HG LEU 6 HG LEU 6 2.481 -5.090 -2.871 61 HD11 LEU 6 HD11 LEU 6 1.406 -2.896 -2.804 62 HD12 LEU 6 HD12 LEU 6 1.882 -2.700 -1.116 63 HD13 LEU 6 HD13 LEU 6 0.753 -3.978 -1.577 64 HD21 LEU 6 HD21 LEU 6 4.829 -4.360 -2.883 65 HD22 LEU 6 HD22 LEU 6 4.384 -2.905 -1.990 66 HD23 LEU 6 HD23 LEU 6 3.767 -3.163 -3.623 67 H SER 7 HN SER 7 3.653 -7.998 -1.245 68 HA SER 7 HA SER 7 2.710 -8.340 -3.851 69 HB2 SER 7 HB2 SER 7 4.303 -10.333 -2.203 70 HB3 SER 7 HB1 SER 7 4.315 -10.145 -3.960 71 HG SER 7 HG SER 7 5.759 -8.648 -3.732 72 H LYS 8 HN LYS 8 2.019 -10.148 -0.872 73 HA LYS 8 HA LYS 8 0.296 -12.106 -2.146 74 HB2 LYS 8 HB2 LYS 8 1.191 -11.563 0.677 75 HB3 LYS 8 HB1 LYS 8 -0.275 -12.501 0.456 76 HG2 LYS 8 HG2 LYS 8 1.660 -13.945 0.798 77 HG3 LYS 8 HG1 LYS 8 0.946 -14.217 -0.783 78 HD2 LYS 8 HD2 LYS 8 3.282 -12.320 -0.590 79 HD3 LYS 8 HD1 LYS 8 3.604 -14.042 -0.418 80 HE2 LYS 8 HE2 LYS 8 2.529 -14.436 -2.640 81 HE3 LYS 8 HE1 LYS 8 2.293 -12.696 -2.813 82 HZ1 LYS 8 HZ1 LYS 8 4.261 -13.345 -3.999 83 HZ2 LYS 8 HZ2 LYS 8 4.897 -14.124 -2.640 84 HZ3 LYS 8 HZ3 LYS 8 4.741 -12.441 -2.648 85 H TYR 9 HN TYR 9 -0.125 -8.970 -0.712 86 HA TYR 9 HA TYR 9 -2.975 -9.080 -0.443 87 HB2 TYR 9 HB2 TYR 9 -1.685 -7.390 0.796 88 HB3 TYR 9 HB1 TYR 9 -1.090 -6.689 -0.701 89 HD1 TYR 9 HD1 TYR 9 -4.067 -7.102 1.466 90 HD2 TYR 9 HD2 TYR 9 -2.514 -5.194 -2.045 91 HE1 TYR 9 HE1 TYR 9 -6.044 -5.689 1.358 92 HE2 TYR 9 HE2 TYR 9 -4.514 -3.763 -2.136 93 HH TYR 9 HH TYR 9 -6.821 -3.789 -1.380 94 H LEU 10 HN LEU 10 -0.706 -8.059 -2.987 95 HA LEU 10 HA LEU 10 -2.571 -6.738 -4.628 96 HB2 LEU 10 HB2 LEU 10 0.152 -7.891 -5.306 97 HB3 LEU 10 HB1 LEU 10 -0.792 -6.892 -6.403 98 HG LEU 10 HG LEU 10 0.371 -6.023 -3.732 99 HD11 LEU 10 HD11 LEU 10 2.049 -6.194 -5.468 100 HD12 LEU 10 HD12 LEU 10 1.771 -4.509 -5.041 101 HD13 LEU 10 HD13 LEU 10 1.096 -5.160 -6.538 102 HD21 LEU 10 HD21 LEU 10 -1.356 -4.388 -5.624 103 HD22 LEU 10 HD22 LEU 10 -0.488 -3.752 -4.223 104 HD23 LEU 10 HD23 LEU 10 -1.786 -4.919 -3.996 105 H GLU 11 HN GLU 11 -1.268 -10.047 -4.787 106 HA GLU 11 HA GLU 11 -2.746 -10.780 -7.139 107 HB2 GLU 11 HB2 GLU 11 -1.422 -12.557 -5.041 108 HB3 GLU 11 HB1 GLU 11 -2.069 -13.115 -6.580 109 HG2 GLU 11 HG2 GLU 11 -0.413 -11.659 -7.760 110 HG3 GLU 11 HG1 GLU 11 0.276 -11.235 -6.192 111 H GLU 12 HN GLU 12 -3.210 -11.428 -3.631 112 HA GLU 12 HA GLU 12 -5.474 -13.176 -4.196 113 HB2 GLU 12 HB2 GLU 12 -3.535 -13.552 -2.469 114 HB3 GLU 12 HB1 GLU 12 -4.446 -12.489 -1.410 115 HG2 GLU 12 HG2 GLU 12 -5.461 -15.110 -2.568 116 HG3 GLU 12 HG1 GLU 12 -4.785 -14.909 -0.961 117 H HIS 13 HN HIS 13 -4.970 -10.154 -2.300 118 HA HIS 13 HA HIS 13 -7.751 -10.261 -1.375 119 HB2 HIS 13 HB2 HIS 13 -5.390 -8.537 -0.520 120 HB3 HIS 13 HB1 HIS 13 -7.001 -8.400 0.175 121 HD1 HIS 13 HD1 HIS 13 -7.651 -10.106 1.946 122 HD2 HIS 13 HD2 HIS 13 -3.999 -10.952 0.147 123 HE1 HIS 13 HE1 HIS 13 -6.611 -11.902 3.346 124 HE2 HIS 13 HE2 HIS 13 -4.541 -12.572 2.096 125 H GLY 14 HN GLY 14 -5.667 -8.081 -3.262 126 HA2 GLY 14 HA2 GLY 14 -7.791 -6.815 -4.639 127 HA3 GLY 14 HA1 GLY 14 -7.247 -5.781 -3.319 128 H THR 15 HN THR 15 -7.000 -5.038 -6.065 129 HA THR 15 HA THR 15 -4.380 -5.845 -7.075 130 HB THR 15 HB THR 15 -5.049 -4.618 -9.128 131 HG1 THR 15 HG1 THR 15 -7.337 -3.753 -9.023 132 HG21 THR 15 HG21 THR 15 -7.346 -6.279 -8.061 133 HG22 THR 15 HG22 THR 15 -5.920 -6.908 -8.888 134 HG23 THR 15 HG23 THR 15 -7.066 -5.883 -9.756 135 H GLN 16 HN GLN 16 -3.295 -3.862 -8.322 136 HA GLN 16 HA GLN 16 -2.234 -2.095 -6.337 137 HB2 GLN 16 HB2 GLN 16 -1.810 -2.018 -9.364 138 HB3 GLN 16 HB1 GLN 16 -0.879 -1.115 -8.180 139 HG2 GLN 16 HG2 GLN 16 0.505 -2.913 -8.775 140 HG3 GLN 16 HG1 GLN 16 -0.170 -3.378 -7.214 141 HE21 GLN 16 HE21 GLN 16 -1.671 -5.118 -7.152 142 HE22 GLN 16 HE22 GLN 16 -1.867 -6.214 -8.472 143 H SER 17 HN SER 17 -4.539 -1.837 -8.949 144 HA SER 17 HA SER 17 -5.037 0.967 -8.912 145 HB2 SER 17 HB2 SER 17 -6.958 -1.258 -9.726 146 HB3 SER 17 HB1 SER 17 -6.973 0.414 -10.287 147 HG SER 17 HG SER 17 -4.565 -0.626 -10.811 148 H ALA 18 HN ALA 18 -6.640 -1.841 -7.408 149 HA ALA 18 HA ALA 18 -8.729 -0.476 -6.059 150 HB1 ALA 18 HB1 ALA 18 -8.767 -2.910 -6.494 151 HB2 ALA 18 HB2 ALA 18 -9.022 -2.553 -4.785 152 HB3 ALA 18 HB3 ALA 18 -7.448 -3.132 -5.337 153 H LEU 19 HN LEU 19 -5.471 -1.392 -5.153 154 HA LEU 19 HA LEU 19 -5.604 -0.865 -2.383 155 HB2 LEU 19 HB2 LEU 19 -3.796 -2.244 -3.274 156 HB3 LEU 19 HB1 LEU 19 -3.230 -0.931 -4.293 157 HG LEU 19 HG LEU 19 -2.518 0.327 -2.267 158 HD11 LEU 19 HD11 LEU 19 -4.070 -0.551 -0.598 159 HD12 LEU 19 HD12 LEU 19 -2.406 -0.746 -0.061 160 HD13 LEU 19 HD13 LEU 19 -3.299 -2.140 -0.675 161 HD21 LEU 19 HD21 LEU 19 -0.899 -1.057 -3.465 162 HD22 LEU 19 HD22 LEU 19 -1.324 -2.458 -2.480 163 HD23 LEU 19 HD23 LEU 19 -0.549 -1.056 -1.739 164 H ALA 20 HN ALA 20 -4.281 1.023 -5.096 165 HA ALA 20 HA ALA 20 -3.731 3.457 -3.786 166 HB1 ALA 20 HB1 ALA 20 -2.863 2.870 -6.028 167 HB2 ALA 20 HB2 ALA 20 -3.668 4.437 -6.047 168 HB3 ALA 20 HB3 ALA 20 -4.486 3.017 -6.705 169 H ALA 21 HN ALA 21 -6.761 2.224 -5.206 170 HA ALA 21 HA ALA 21 -8.271 4.649 -5.072 171 HB1 ALA 21 HB1 ALA 21 -10.247 3.216 -5.419 172 HB2 ALA 21 HB2 ALA 21 -9.276 1.779 -5.085 173 HB3 ALA 21 HB3 ALA 21 -8.937 2.757 -6.511 174 H ALA 22 HN ALA 22 -7.658 2.021 -2.807 175 HA ALA 22 HA ALA 22 -9.508 2.888 -0.769 176 HB1 ALA 22 HB1 ALA 22 -7.180 0.948 -0.578 177 HB2 ALA 22 HB2 ALA 22 -8.849 0.525 -0.971 178 HB3 ALA 22 HB3 ALA 22 -8.453 1.161 0.628 179 H LEU 23 HN LEU 23 -6.128 3.450 -1.549 180 HA LEU 23 HA LEU 23 -5.512 4.845 0.927 181 HB2 LEU 23 HB2 LEU 23 -3.888 4.683 -1.646 182 HB3 LEU 23 HB1 LEU 23 -3.308 5.264 -0.092 183 HG LEU 23 HG LEU 23 -4.081 2.402 -0.765 184 HD11 LEU 23 HD11 LEU 23 -1.961 3.060 -1.779 185 HD12 LEU 23 HD12 LEU 23 -1.714 1.866 -0.508 186 HD13 LEU 23 HD13 LEU 23 -1.346 3.564 -0.202 187 HD21 LEU 23 HD21 LEU 23 -4.693 2.794 1.528 188 HD22 LEU 23 HD22 LEU 23 -3.125 3.532 1.873 189 HD23 LEU 23 HD23 LEU 23 -3.225 1.810 1.500 190 H GLY 24 HN GLY 24 -6.923 5.632 -2.117 191 HA2 GLY 24 HA2 GLY 24 -7.682 7.581 -3.072 192 HA3 GLY 24 HA1 GLY 24 -7.315 8.403 -1.560 193 H VAL 25 HN VAL 25 -5.055 6.635 -3.639 194 HA VAL 25 HA VAL 25 -3.524 9.109 -4.189 195 HB VAL 25 HB VAL 25 -1.429 7.968 -3.764 196 HG11 VAL 25 HG11 VAL 25 -3.316 7.379 -1.467 197 HG12 VAL 25 HG12 VAL 25 -2.562 8.943 -1.805 198 HG13 VAL 25 HG13 VAL 25 -1.567 7.561 -1.360 199 HG21 VAL 25 HG21 VAL 25 -1.275 5.612 -2.947 200 HG22 VAL 25 HG22 VAL 25 -1.936 5.695 -4.578 201 HG23 VAL 25 HG23 VAL 25 -3.010 5.413 -3.206 202 H ASN 26 HN ASN 26 -1.746 8.537 -5.836 203 HA ASN 26 HA ASN 26 -2.995 7.520 -8.263 204 HB2 ASN 26 HB2 ASN 26 -0.279 8.815 -7.757 205 HB3 ASN 26 HB1 ASN 26 -0.962 8.476 -9.346 206 HD21 ASN 26 HD21 ASN 26 -0.162 11.036 -8.033 207 HD22 ASN 26 HD22 ASN 26 -1.556 12.054 -8.132 208 H GLN 27 HN GLN 27 -2.098 5.828 -9.543 209 HA GLN 27 HA GLN 27 -0.930 3.603 -8.161 210 HB2 GLN 27 HB2 GLN 27 -1.409 4.065 -11.139 211 HB3 GLN 27 HB1 GLN 27 -0.832 2.545 -10.459 212 HG2 GLN 27 HG2 GLN 27 -2.929 2.324 -9.167 213 HG3 GLN 27 HG1 GLN 27 -3.507 3.846 -9.857 214 HE21 GLN 27 HE21 GLN 27 -4.041 3.907 -12.100 215 HE22 GLN 27 HE22 GLN 27 -4.352 2.460 -12.992 216 H SER 28 HN SER 28 0.461 6.312 -9.750 217 HA SER 28 HA SER 28 2.997 5.400 -10.515 218 HB2 SER 28 HB2 SER 28 3.715 7.784 -10.103 219 HB3 SER 28 HB1 SER 28 2.214 7.662 -11.027 220 HG SER 28 HG SER 28 2.231 9.198 -9.218 221 H ALA 29 HN ALA 29 1.803 6.482 -7.363 222 HA ALA 29 HA ALA 29 4.071 6.193 -5.705 223 HB1 ALA 29 HB1 ALA 29 1.141 5.706 -5.041 224 HB2 ALA 29 HB2 ALA 29 1.965 7.267 -5.014 225 HB3 ALA 29 HB3 ALA 29 2.441 6.003 -3.884 226 H ILE 30 HN ILE 30 1.449 3.839 -6.360 227 HA ILE 30 HA ILE 30 2.490 1.695 -4.852 228 HB ILE 30 HB ILE 30 0.694 1.365 -7.297 229 HG12 ILE 30 HG12 ILE 30 -0.276 3.107 -5.842 230 HG13 ILE 30 HG11 ILE 30 -1.257 1.650 -5.808 231 HG21 ILE 30 HG21 ILE 30 0.983 -0.354 -4.798 232 HG22 ILE 30 HG22 ILE 30 1.543 -0.765 -6.421 233 HG23 ILE 30 HG23 ILE 30 -0.184 -0.624 -6.095 234 HD11 ILE 30 HD11 ILE 30 -0.268 1.075 -3.618 235 HD12 ILE 30 HD12 ILE 30 -1.119 2.617 -3.610 236 HD13 ILE 30 HD13 ILE 30 0.643 2.586 -3.655 237 H SER 31 HN SER 31 3.028 2.659 -8.188 238 HA SER 31 HA SER 31 4.393 0.399 -9.212 239 HB2 SER 31 HB2 SER 31 3.571 2.058 -10.746 240 HB3 SER 31 HB1 SER 31 4.434 3.365 -9.937 241 HG SER 31 HG SER 31 5.989 1.285 -10.954 242 H GLN 32 HN GLN 32 5.621 3.356 -7.547 243 HA GLN 32 HA GLN 32 8.385 2.606 -7.737 244 HB2 GLN 32 HB2 GLN 32 6.995 4.625 -5.942 245 HB3 GLN 32 HB1 GLN 32 8.741 4.386 -5.958 246 HG2 GLN 32 HG2 GLN 32 8.639 4.918 -8.460 247 HG3 GLN 32 HG1 GLN 32 6.988 5.470 -8.166 248 HE21 GLN 32 HE21 GLN 32 9.316 6.998 -9.059 249 HE22 GLN 32 HE22 GLN 32 9.540 8.265 -7.908 250 H MET 33 HN MET 33 5.873 2.025 -5.388 251 HA MET 33 HA MET 33 7.432 0.999 -3.232 252 HB2 MET 33 HB2 MET 33 4.550 0.451 -4.030 253 HB3 MET 33 HB1 MET 33 5.254 0.104 -2.451 254 HG2 MET 33 HG2 MET 33 5.561 2.493 -2.019 255 HG3 MET 33 HG1 MET 33 5.041 2.893 -3.652 256 HE1 MET 33 HE1 MET 33 3.976 1.087 -0.357 257 HE2 MET 33 HE2 MET 33 3.379 0.006 -1.624 258 HE3 MET 33 HE3 MET 33 2.234 0.887 -0.611 259 H VAL 34 HN VAL 34 5.968 -0.416 -6.083 260 HA VAL 34 HA VAL 34 6.655 -3.168 -5.614 261 HB VAL 34 HB VAL 34 5.590 -1.574 -7.985 262 HG11 VAL 34 HG11 VAL 34 6.180 -4.555 -8.083 263 HG12 VAL 34 HG12 VAL 34 7.010 -3.290 -8.991 264 HG13 VAL 34 HG13 VAL 34 5.309 -3.614 -9.304 265 HG21 VAL 34 HG21 VAL 34 4.337 -3.803 -6.318 266 HG22 VAL 34 HG22 VAL 34 3.549 -2.925 -7.631 267 HG23 VAL 34 HG23 VAL 34 4.012 -2.075 -6.161 268 H ARG 35 HN ARG 35 8.080 -0.514 -7.531 269 HA ARG 35 HA ARG 35 10.184 -2.062 -8.714 270 HB2 ARG 35 HB2 ARG 35 9.713 0.926 -8.494 271 HB3 ARG 35 HB1 ARG 35 11.122 0.250 -9.303 272 HG2 ARG 35 HG2 ARG 35 9.670 -0.896 -10.930 273 HG3 ARG 35 HG1 ARG 35 8.239 -0.268 -10.106 274 HD2 ARG 35 HD2 ARG 35 8.942 2.043 -10.655 275 HD3 ARG 35 HD1 ARG 35 10.376 1.410 -11.471 276 HE ARG 35 HE ARG 35 8.096 0.223 -12.616 277 HH11 ARG 35 HH11 ARG 35 8.992 3.911 -13.987 278 HH12 ARG 35 HH12 ARG 35 9.631 3.400 -12.459 279 HH21 ARG 35 HH21 ARG 35 7.671 2.499 -15.226 280 HH22 ARG 35 HH22 ARG 35 7.291 0.914 -14.633 281 H ALA 36 HN ALA 36 9.820 -0.390 -5.701 282 HA ALA 36 HA ALA 36 12.522 0.031 -4.969 283 HB1 ALA 36 HB1 ALA 36 10.657 1.097 -3.769 284 HB2 ALA 36 HB2 ALA 36 11.668 0.188 -2.648 285 HB3 ALA 36 HB3 ALA 36 10.117 -0.473 -3.172 286 H GLY 37 HN GLY 37 10.691 -2.854 -5.280 287 HA2 GLY 37 HA2 GLY 37 11.287 -5.072 -5.086 288 HA3 GLY 37 HA1 GLY 37 12.851 -4.579 -4.448 289 H ARG 38 HN ARG 38 10.402 -3.007 -2.791 290 HA ARG 38 HA ARG 38 10.907 -4.643 -0.413 291 HB2 ARG 38 HB2 ARG 38 9.749 -1.830 -0.696 292 HB3 ARG 38 HB1 ARG 38 10.052 -2.644 0.836 293 HG2 ARG 38 HG2 ARG 38 12.150 -1.802 -1.192 294 HG3 ARG 38 HG1 ARG 38 11.804 -1.014 0.348 295 HD2 ARG 38 HD2 ARG 38 12.467 -3.153 1.512 296 HD3 ARG 38 HD1 ARG 38 12.964 -3.795 -0.057 297 HE ARG 38 HE ARG 38 14.201 -1.278 0.556 298 HH11 ARG 38 HH11 ARG 38 14.507 -4.743 1.123 299 HH12 ARG 38 HH12 ARG 38 16.208 -4.651 1.459 300 HH21 ARG 38 HH21 ARG 38 16.410 -1.171 1.076 301 HH22 ARG 38 HH22 ARG 38 17.280 -2.628 1.432 302 H CYS 39 HN CYS 39 9.404 -6.109 0.107 303 HA CYS 39 HA CYS 39 6.639 -5.981 -0.580 304 HB2 CYS 39 HB2 CYS 39 7.815 -8.102 0.013 305 HB3 CYS 39 HB1 CYS 39 7.965 -7.541 1.677 306 HG CYS 39 HG CYS 39 5.844 -9.513 0.953 307 H ILE 40 HN ILE 40 5.221 -4.618 0.252 308 HA ILE 40 HA ILE 40 5.918 -2.926 2.532 309 HB ILE 40 HB ILE 40 3.722 -2.630 0.426 310 HG12 ILE 40 HG12 ILE 40 5.862 -2.404 -0.680 311 HG13 ILE 40 HG11 ILE 40 5.195 -0.789 -0.503 312 HG21 ILE 40 HG21 ILE 40 4.637 -0.662 2.543 313 HG22 ILE 40 HG22 ILE 40 3.070 -1.469 2.443 314 HG23 ILE 40 HG23 ILE 40 3.533 -0.294 1.218 315 HD11 ILE 40 HD11 ILE 40 7.537 -0.719 -0.058 316 HD12 ILE 40 HD12 ILE 40 7.412 -2.032 1.111 317 HD13 ILE 40 HD13 ILE 40 6.687 -0.458 1.470 318 H ASP 41 HN ASP 41 4.550 -2.570 4.244 319 HA ASP 41 HA ASP 41 2.942 -4.868 5.020 320 HB2 ASP 41 HB2 ASP 41 4.789 -3.861 6.436 321 HB3 ASP 41 HB1 ASP 41 3.774 -2.439 6.654 322 H ILE 42 HN ILE 42 0.926 -4.784 4.242 323 HA ILE 42 HA ILE 42 -0.605 -2.278 4.074 324 HB ILE 42 HB ILE 42 -1.325 -5.047 2.984 325 HG12 ILE 42 HG12 ILE 42 0.721 -4.217 1.875 326 HG13 ILE 42 HG11 ILE 42 -0.631 -4.201 0.754 327 HG21 ILE 42 HG21 ILE 42 -3.307 -3.636 3.301 328 HG22 ILE 42 HG22 ILE 42 -2.979 -3.837 1.582 329 HG23 ILE 42 HG23 ILE 42 -2.556 -2.324 2.387 330 HD11 ILE 42 HD11 ILE 42 -0.844 -1.762 1.078 331 HD12 ILE 42 HD12 ILE 42 0.741 -2.224 0.465 332 HD13 ILE 42 HD13 ILE 42 0.546 -1.797 2.164 333 H GLU 43 HN GLU 43 -1.635 -1.797 5.871 334 HA GLU 43 HA GLU 43 -2.699 -3.571 7.830 335 HB2 GLU 43 HB2 GLU 43 -3.332 -0.638 7.254 336 HB3 GLU 43 HB1 GLU 43 -3.752 -1.485 8.735 337 HG2 GLU 43 HG2 GLU 43 -1.554 -1.475 9.530 338 HG3 GLU 43 HG1 GLU 43 -0.860 -1.341 7.921 339 H LEU 44 HN LEU 44 -4.209 -5.046 6.925 340 HA LEU 44 HA LEU 44 -6.461 -4.100 5.325 341 HB2 LEU 44 HB2 LEU 44 -5.565 -6.287 4.747 342 HB3 LEU 44 HB1 LEU 44 -5.751 -6.859 6.395 343 HG LEU 44 HG LEU 44 -8.254 -6.696 6.125 344 HD11 LEU 44 HD11 LEU 44 -8.397 -5.045 4.331 345 HD12 LEU 44 HD12 LEU 44 -9.256 -6.521 3.904 346 HD13 LEU 44 HD13 LEU 44 -7.670 -6.190 3.195 347 HD21 LEU 44 HD21 LEU 44 -7.098 -8.854 5.842 348 HD22 LEU 44 HD22 LEU 44 -6.913 -8.531 4.113 349 HD23 LEU 44 HD23 LEU 44 -8.524 -8.736 4.811 350 H TYR 45 HN TYR 45 -8.128 -3.151 6.283 351 HA TYR 45 HA TYR 45 -9.030 -3.897 8.990 352 HB2 TYR 45 HB2 TYR 45 -9.919 -1.656 7.097 353 HB3 TYR 45 HB1 TYR 45 -10.523 -1.896 8.738 354 HD1 TYR 45 HD1 TYR 45 -9.121 -1.304 10.685 355 HD2 TYR 45 HD2 TYR 45 -7.612 -0.779 6.721 356 HE1 TYR 45 HE1 TYR 45 -7.260 0.026 11.569 357 HE2 TYR 45 HE2 TYR 45 -5.746 0.562 7.613 358 HH TYR 45 HH TYR 45 -5.159 1.861 9.594 359 H THR 46 HN THR 46 -11.043 -4.870 9.307 360 HA THR 46 HA THR 46 -11.685 -6.822 7.338 361 HB THR 46 HB THR 46 -11.729 -7.387 9.727 362 HG1 THR 46 HG1 THR 46 -13.671 -8.006 7.975 363 HG21 THR 46 HG21 THR 46 -12.587 -5.272 10.663 364 HG22 THR 46 HG22 THR 46 -13.558 -6.639 11.211 365 HG23 THR 46 HG23 THR 46 -14.166 -5.578 9.939 366 H ASP 47 HN ASP 47 -13.017 -3.701 7.931 367 HA ASP 47 HA ASP 47 -15.643 -4.183 6.806 368 HB2 ASP 47 HB2 ASP 47 -15.938 -1.734 6.995 369 HB3 ASP 47 HB1 ASP 47 -15.292 -2.410 8.488 370 H GLY 48 HN GLY 48 -12.553 -3.701 5.451 371 HA2 GLY 48 HA2 GLY 48 -12.367 -4.232 3.078 372 HA3 GLY 48 HA1 GLY 48 -13.748 -3.191 2.786 373 H ARG 49 HN ARG 49 -12.101 -1.444 4.997 374 HA ARG 49 HA ARG 49 -10.592 0.121 3.058 375 HB2 ARG 49 HB2 ARG 49 -10.968 0.355 6.075 376 HB3 ARG 49 HB1 ARG 49 -9.860 1.402 5.185 377 HG2 ARG 49 HG2 ARG 49 -11.782 2.186 3.784 378 HG3 ARG 49 HG1 ARG 49 -12.859 1.197 4.777 379 HD2 ARG 49 HD2 ARG 49 -12.910 3.541 5.512 380 HD3 ARG 49 HD1 ARG 49 -12.241 2.507 6.776 381 HE ARG 49 HE ARG 49 -9.981 3.277 5.937 382 HH11 ARG 49 HH11 ARG 49 -12.799 5.345 5.579 383 HH12 ARG 49 HH12 ARG 49 -11.866 6.807 5.587 384 HH21 ARG 49 HH21 ARG 49 -8.774 5.191 5.966 385 HH22 ARG 49 HH22 ARG 49 -9.572 6.727 5.805 386 H VAL 50 HN VAL 50 -8.332 0.343 2.989 387 HA VAL 50 HA VAL 50 -6.664 -1.219 4.842 388 HB VAL 50 HB VAL 50 -5.077 -1.882 3.047 389 HG11 VAL 50 HG11 VAL 50 -6.738 -3.520 3.769 390 HG12 VAL 50 HG12 VAL 50 -6.372 -3.724 2.059 391 HG13 VAL 50 HG13 VAL 50 -7.876 -2.944 2.551 392 HG21 VAL 50 HG21 VAL 50 -5.689 -1.763 0.657 393 HG22 VAL 50 HG22 VAL 50 -5.573 -0.153 1.367 394 HG23 VAL 50 HG23 VAL 50 -7.157 -0.871 1.069 395 H GLU 51 HN GLU 51 -4.565 -0.341 5.137 396 HA GLU 51 HA GLU 51 -3.997 2.284 3.929 397 HB2 GLU 51 HB2 GLU 51 -5.074 2.619 6.190 398 HB3 GLU 51 HB1 GLU 51 -3.736 1.737 6.921 399 HG2 GLU 51 HG2 GLU 51 -2.160 3.447 6.224 400 HG3 GLU 51 HG1 GLU 51 -3.407 4.287 5.304 401 H CYS 52 HN CYS 52 -1.978 2.368 3.214 402 HA CYS 52 HA CYS 52 0.000 0.354 4.012 403 HB2 CYS 52 HB2 CYS 52 -0.188 0.509 1.640 404 HB3 CYS 52 HB1 CYS 52 -0.198 2.272 1.670 405 HG CYS 52 HG CYS 52 2.231 2.256 0.887 406 H ARG 53 HN ARG 53 1.304 0.971 5.707 407 HA ARG 53 HA ARG 53 1.532 3.627 6.664 408 HB2 ARG 53 HB2 ARG 53 1.862 1.571 8.047 409 HB3 ARG 53 HB1 ARG 53 3.409 1.299 7.252 410 HG2 ARG 53 HG2 ARG 53 4.272 3.398 8.181 411 HG3 ARG 53 HG1 ARG 53 2.703 3.739 8.912 412 HD2 ARG 53 HD2 ARG 53 2.947 1.697 10.323 413 HD3 ARG 53 HD1 ARG 53 4.534 1.416 9.606 414 HE ARG 53 HE ARG 53 5.392 3.303 10.730 415 HH11 ARG 53 HH11 ARG 53 2.029 2.734 11.598 416 HH12 ARG 53 HH12 ARG 53 2.108 3.715 13.027 417 HH21 ARG 53 HH21 ARG 53 5.477 4.594 12.597 418 HH22 ARG 53 HH22 ARG 53 4.069 4.776 13.597 419 H GLU 54 HN GLU 54 3.679 1.697 4.623 420 HA GLU 54 HA GLU 54 5.890 3.447 4.430 421 HB2 GLU 54 HB2 GLU 54 6.029 1.114 3.770 422 HB3 GLU 54 HB1 GLU 54 4.839 1.361 2.501 423 HG2 GLU 54 HG2 GLU 54 7.047 1.181 1.540 424 HG3 GLU 54 HG1 GLU 54 6.416 2.796 1.279 425 H LEU 55 HN LEU 55 2.765 3.537 2.915 426 HA LEU 55 HA LEU 55 3.441 5.297 0.752 427 HB2 LEU 55 HB2 LEU 55 1.499 3.634 0.749 428 HB3 LEU 55 HB1 LEU 55 0.655 4.696 1.856 429 HG LEU 55 HG LEU 55 -0.115 4.874 -0.534 430 HD11 LEU 55 HD11 LEU 55 -0.185 7.319 -0.716 431 HD12 LEU 55 HD12 LEU 55 1.053 7.463 0.528 432 HD13 LEU 55 HD13 LEU 55 -0.525 6.785 0.928 433 HD21 LEU 55 HD21 LEU 55 1.286 5.998 -2.221 434 HD22 LEU 55 HD22 LEU 55 2.012 4.489 -1.675 435 HD23 LEU 55 HD23 LEU 55 2.637 6.029 -1.085 436 H ARG 56 HN ARG 56 4.491 6.983 1.841 437 HA ARG 56 HA ARG 56 2.812 8.975 3.150 438 HB2 ARG 56 HB2 ARG 56 5.626 8.973 2.047 439 HB3 ARG 56 HB1 ARG 56 4.828 10.505 2.325 440 HG2 ARG 56 HG2 ARG 56 6.262 9.959 4.201 441 HG3 ARG 56 HG1 ARG 56 4.577 9.973 4.707 442 HD2 ARG 56 HD2 ARG 56 5.851 8.129 5.739 443 HD3 ARG 56 HD1 ARG 56 4.534 7.535 4.732 444 HE ARG 56 HE ARG 56 6.061 6.640 3.247 445 HH11 ARG 56 HH11 ARG 56 9.367 7.746 5.246 446 HH12 ARG 56 HH12 ARG 56 7.842 8.434 5.698 447 HH21 ARG 56 HH21 ARG 56 9.493 6.227 3.554 448 HH22 ARG 56 HH22 ARG 56 8.064 5.730 2.704 449 HA PRO 57 HA PRO 57 0.851 9.915 -0.914 450 HB2 PRO 57 HB2 PRO 57 -0.606 12.096 0.026 451 HB3 PRO 57 HB1 PRO 57 -1.113 10.406 0.218 452 HG2 PRO 57 HG2 PRO 57 0.349 12.159 2.175 453 HG3 PRO 57 HG1 PRO 57 -1.058 11.107 2.449 454 HD2 PRO 57 HD2 PRO 57 1.370 10.270 3.144 455 HD3 PRO 57 HD1 PRO 57 0.237 9.137 2.364 456 H ASP 58 HN ASP 58 3.056 11.840 0.890 457 HA ASP 58 HA ASP 58 3.075 14.275 -0.608 458 HB2 ASP 58 HB2 ASP 58 3.890 14.262 1.680 459 HB3 ASP 58 HB1 ASP 58 5.083 13.024 1.322 460 H VAL 59 HN VAL 59 4.518 11.173 -1.027 461 HA VAL 59 HA VAL 59 6.832 11.566 -2.457 462 HB VAL 59 HB VAL 59 4.740 9.369 -2.771 463 HG11 VAL 59 HG11 VAL 59 7.638 9.346 -3.760 464 HG12 VAL 59 HG12 VAL 59 6.196 9.363 -4.770 465 HG13 VAL 59 HG13 VAL 59 6.544 7.955 -3.772 466 HG21 VAL 59 HG21 VAL 59 6.208 8.051 -1.293 467 HG22 VAL 59 HG22 VAL 59 5.693 9.545 -0.507 468 HG23 VAL 59 HG23 VAL 59 7.328 9.414 -1.159 469 H PHE 60 HN PHE 60 3.497 11.600 -3.746 470 HA PHE 60 HA PHE 60 4.488 12.823 -6.272 471 HB2 PHE 60 HB2 PHE 60 2.342 10.697 -5.909 472 HB3 PHE 60 HB1 PHE 60 2.372 11.721 -7.340 473 HD1 PHE 60 HD1 PHE 60 4.296 11.616 -8.913 474 HD2 PHE 60 HD2 PHE 60 3.932 8.857 -5.660 475 HE1 PHE 60 HE1 PHE 60 5.950 10.141 -9.983 476 HE2 PHE 60 HE2 PHE 60 5.586 7.390 -6.745 477 HZ PHE 60 HZ PHE 60 6.593 8.025 -8.900 478 H GLY 61 HN GLY 61 3.027 13.617 -3.523 479 HA2 GLY 61 HA2 GLY 61 1.545 15.227 -2.803 480 HA3 GLY 61 HA1 GLY 61 1.558 15.876 -4.440 481 H ALA 62 HN ALA 62 0.670 12.589 -3.638 482 HA ALA 62 HA ALA 62 -1.730 12.678 -5.205 483 HB1 ALA 62 HB1 ALA 62 -0.439 10.432 -3.602 484 HB2 ALA 62 HB2 ALA 62 -0.172 10.769 -5.310 485 HB3 ALA 62 HB3 ALA 62 -1.757 10.222 -4.762 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -7.698 -2.630 13.641 2 H2 MET 1 HT2 MET 1 -6.182 -3.372 13.661 3 H3 MET 1 HT3 MET 1 -7.583 -4.312 13.721 4 HA MET 1 HA MET 1 -8.201 -3.639 11.533 5 HB2 MET 1 HB2 MET 1 -6.684 -2.249 10.152 6 HB3 MET 1 HB1 MET 1 -7.194 -1.378 11.589 7 HG2 MET 1 HG2 MET 1 -5.009 -1.940 12.662 8 HG3 MET 1 HG1 MET 1 -4.493 -2.671 11.138 9 HE1 MET 1 HE1 MET 1 -2.325 -1.061 11.080 10 HE2 MET 1 HE2 MET 1 -2.826 -0.352 12.617 11 HE3 MET 1 HE3 MET 1 -2.427 0.690 11.253 12 H LYS 2 HN LYS 2 -7.387 -4.734 9.672 13 HA LYS 2 HA LYS 2 -5.665 -7.028 10.265 14 HB2 LYS 2 HB2 LYS 2 -7.364 -6.500 7.784 15 HB3 LYS 2 HB1 LYS 2 -6.677 -8.043 8.293 16 HG2 LYS 2 HG2 LYS 2 -8.188 -8.054 10.258 17 HG3 LYS 2 HG1 LYS 2 -8.877 -6.517 9.732 18 HD2 LYS 2 HD2 LYS 2 -8.988 -9.121 8.154 19 HD3 LYS 2 HD1 LYS 2 -10.308 -8.468 9.125 20 HE2 LYS 2 HE2 LYS 2 -10.491 -6.527 7.650 21 HE3 LYS 2 HE1 LYS 2 -9.076 -7.050 6.733 22 HZ1 LYS 2 HZ1 LYS 2 -10.283 -9.003 6.026 23 HZ2 LYS 2 HZ2 LYS 2 -11.138 -7.606 5.611 24 HZ3 LYS 2 HZ3 LYS 2 -11.638 -8.539 6.924 25 H LYS 3 HN LYS 3 -4.058 -7.681 8.664 26 HA LYS 3 HA LYS 3 -2.982 -5.507 6.957 27 HB2 LYS 3 HB2 LYS 3 -1.496 -7.320 8.886 28 HB3 LYS 3 HB1 LYS 3 -0.667 -6.523 7.549 29 HG2 LYS 3 HG2 LYS 3 -1.496 -4.321 8.435 30 HG3 LYS 3 HG1 LYS 3 -2.111 -5.175 9.857 31 HD2 LYS 3 HD2 LYS 3 0.074 -5.714 10.620 32 HD3 LYS 3 HD1 LYS 3 0.805 -5.436 9.038 33 HE2 LYS 3 HE2 LYS 3 -0.357 -3.256 10.808 34 HE3 LYS 3 HE1 LYS 3 1.358 -3.660 10.698 35 HZ1 LYS 3 HZ1 LYS 3 -0.369 -2.573 8.539 36 HZ2 LYS 3 HZ2 LYS 3 1.178 -3.184 8.266 37 HZ3 LYS 3 HZ3 LYS 3 0.971 -1.838 9.268 38 H ILE 4 HN ILE 4 -2.014 -6.102 5.043 39 HA ILE 4 HA ILE 4 -2.199 -8.897 4.099 40 HB ILE 4 HB ILE 4 -3.510 -6.524 2.733 41 HG12 ILE 4 HG12 ILE 4 -4.702 -9.045 3.914 42 HG13 ILE 4 HG11 ILE 4 -5.006 -7.379 4.407 43 HG21 ILE 4 HG21 ILE 4 -3.361 -9.298 1.553 44 HG22 ILE 4 HG22 ILE 4 -2.407 -7.918 1.021 45 HG23 ILE 4 HG23 ILE 4 -4.162 -7.888 0.838 46 HD11 ILE 4 HD11 ILE 4 -6.000 -7.011 2.129 47 HD12 ILE 4 HD12 ILE 4 -6.887 -8.099 3.201 48 HD13 ILE 4 HD13 ILE 4 -5.895 -8.760 1.897 49 HA PRO 5 HA PRO 5 1.631 -7.602 1.919 50 HB2 PRO 5 HB2 PRO 5 1.077 -9.872 0.050 51 HB3 PRO 5 HB1 PRO 5 2.469 -9.631 1.124 52 HG2 PRO 5 HG2 PRO 5 0.637 -11.533 1.633 53 HG3 PRO 5 HG1 PRO 5 1.431 -10.628 2.945 54 HD2 PRO 5 HD2 PRO 5 -1.321 -10.184 1.763 55 HD3 PRO 5 HD1 PRO 5 -0.837 -10.209 3.471 56 H LEU 6 HN LEU 6 1.748 -6.036 0.359 57 HA LEU 6 HA LEU 6 -0.379 -4.995 -1.074 58 HB2 LEU 6 HB2 LEU 6 1.681 -3.738 -0.754 59 HB3 LEU 6 HB1 LEU 6 2.600 -4.894 -1.702 60 HG LEU 6 HG LEU 6 1.393 -4.161 -3.768 61 HD11 LEU 6 HD11 LEU 6 -0.729 -3.458 -2.794 62 HD12 LEU 6 HD12 LEU 6 -0.028 -2.165 -3.765 63 HD13 LEU 6 HD13 LEU 6 0.059 -2.094 -2.001 64 HD21 LEU 6 HD21 LEU 6 3.528 -3.120 -3.180 65 HD22 LEU 6 HD22 LEU 6 2.686 -1.879 -2.251 66 HD23 LEU 6 HD23 LEU 6 2.466 -1.973 -4.000 67 H SER 7 HN SER 7 1.966 -7.434 -2.089 68 HA SER 7 HA SER 7 1.266 -7.797 -4.760 69 HB2 SER 7 HB2 SER 7 2.294 -10.120 -4.376 70 HB3 SER 7 HB1 SER 7 3.304 -8.748 -3.911 71 HG SER 7 HG SER 7 3.207 -10.437 -2.317 72 H LYS 8 HN LYS 8 0.154 -9.744 -1.921 73 HA LYS 8 HA LYS 8 -1.768 -11.209 -3.440 74 HB2 LYS 8 HB2 LYS 8 -1.075 -11.104 -0.517 75 HB3 LYS 8 HB1 LYS 8 -2.631 -11.792 -0.973 76 HG2 LYS 8 HG2 LYS 8 -1.284 -13.267 -2.625 77 HG3 LYS 8 HG1 LYS 8 0.135 -12.785 -1.690 78 HD2 LYS 8 HD2 LYS 8 -0.767 -13.807 0.321 79 HD3 LYS 8 HD1 LYS 8 -2.332 -14.070 -0.451 80 HE2 LYS 8 HE2 LYS 8 -1.246 -15.663 -2.030 81 HE3 LYS 8 HE1 LYS 8 0.280 -15.438 -1.176 82 HZ1 LYS 8 HZ1 LYS 8 -2.215 -16.526 0.009 83 HZ2 LYS 8 HZ2 LYS 8 -0.740 -16.333 0.813 84 HZ3 LYS 8 HZ3 LYS 8 -0.868 -17.435 -0.464 85 H TYR 9 HN TYR 9 -1.929 -8.109 -1.910 86 HA TYR 9 HA TYR 9 -4.785 -7.948 -1.763 87 HB2 TYR 9 HB2 TYR 9 -3.417 -6.341 -0.485 88 HB3 TYR 9 HB1 TYR 9 -2.707 -5.715 -1.955 89 HD1 TYR 9 HD1 TYR 9 -5.667 -5.672 0.208 90 HD2 TYR 9 HD2 TYR 9 -4.089 -4.290 -3.525 91 HE1 TYR 9 HE1 TYR 9 -7.536 -4.119 -0.012 92 HE2 TYR 9 HE2 TYR 9 -5.959 -2.734 -3.739 93 HH TYR 9 HH TYR 9 -7.997 -1.920 -1.263 94 H LEU 10 HN LEU 10 -2.347 -6.872 -4.152 95 HA LEU 10 HA LEU 10 -4.134 -5.831 -6.077 96 HB2 LEU 10 HB2 LEU 10 -1.317 -6.907 -6.473 97 HB3 LEU 10 HB1 LEU 10 -2.193 -5.923 -7.639 98 HG LEU 10 HG LEU 10 -1.342 -4.983 -4.869 99 HD11 LEU 10 HD11 LEU 10 0.602 -5.344 -6.290 100 HD12 LEU 10 HD12 LEU 10 0.345 -3.625 -6.006 101 HD13 LEU 10 HD13 LEU 10 -0.108 -4.339 -7.557 102 HD21 LEU 10 HD21 LEU 10 -2.566 -3.407 -7.152 103 HD22 LEU 10 HD22 LEU 10 -1.984 -2.741 -5.622 104 HD23 LEU 10 HD23 LEU 10 -3.363 -3.838 -5.633 105 H GLU 11 HN GLU 11 -3.057 -9.085 -5.438 106 HA GLU 11 HA GLU 11 -4.008 -10.199 -7.930 107 HB2 GLU 11 HB2 GLU 11 -3.110 -11.518 -5.344 108 HB3 GLU 11 HB1 GLU 11 -3.512 -12.392 -6.816 109 HG2 GLU 11 HG2 GLU 11 -1.242 -10.394 -6.524 110 HG3 GLU 11 HG1 GLU 11 -1.068 -12.145 -6.495 111 H GLU 12 HN GLU 12 -5.163 -10.215 -4.515 112 HA GLU 12 HA GLU 12 -7.421 -11.932 -5.309 113 HB2 GLU 12 HB2 GLU 12 -5.926 -12.692 -3.491 114 HB3 GLU 12 HB1 GLU 12 -6.323 -11.254 -2.559 115 HG2 GLU 12 HG2 GLU 12 -7.550 -13.176 -1.699 116 HG3 GLU 12 HG1 GLU 12 -8.670 -12.004 -2.393 117 H HIS 13 HN HIS 13 -6.845 -8.891 -3.461 118 HA HIS 13 HA HIS 13 -9.694 -8.742 -2.755 119 HB2 HIS 13 HB2 HIS 13 -7.213 -7.251 -1.829 120 HB3 HIS 13 HB1 HIS 13 -8.820 -6.686 -1.394 121 HD1 HIS 13 HD1 HIS 13 -9.525 -7.437 0.797 122 HD2 HIS 13 HD2 HIS 13 -7.007 -10.205 -0.998 123 HE1 HIS 13 HE1 HIS 13 -9.228 -9.261 2.478 124 HE2 HIS 13 HE2 HIS 13 -7.819 -10.998 1.310 125 H GLY 14 HN GLY 14 -7.266 -6.685 -4.336 126 HA2 GLY 14 HA2 GLY 14 -9.321 -5.364 -5.970 127 HA3 GLY 14 HA1 GLY 14 -8.337 -4.354 -4.908 128 H THR 15 HN THR 15 -7.728 -3.383 -6.957 129 HA THR 15 HA THR 15 -5.312 -4.676 -8.064 130 HB THR 15 HB THR 15 -6.211 -3.100 -10.205 131 HG1 THR 15 HG1 THR 15 -8.477 -4.511 -9.230 132 HG21 THR 15 HG21 THR 15 -6.725 -6.053 -9.805 133 HG22 THR 15 HG22 THR 15 -5.222 -5.334 -10.402 134 HG23 THR 15 HG23 THR 15 -6.710 -5.198 -11.347 135 H GLN 16 HN GLN 16 -4.287 -2.776 -9.552 136 HA GLN 16 HA GLN 16 -3.069 -1.118 -7.646 137 HB2 GLN 16 HB2 GLN 16 -2.942 -0.986 -10.687 138 HB3 GLN 16 HB1 GLN 16 -1.905 -0.058 -9.614 139 HG2 GLN 16 HG2 GLN 16 -0.615 -1.894 -10.352 140 HG3 GLN 16 HG1 GLN 16 -1.044 -2.238 -8.687 141 HE21 GLN 16 HE21 GLN 16 -0.575 -4.447 -9.072 142 HE22 GLN 16 HE22 GLN 16 -1.651 -5.471 -9.951 143 H SER 17 HN SER 17 -5.266 -0.396 -10.327 144 HA SER 17 HA SER 17 -5.585 2.385 -9.820 145 HB2 SER 17 HB2 SER 17 -5.986 1.259 -12.026 146 HB3 SER 17 HB1 SER 17 -7.421 0.507 -11.339 147 HG SER 17 HG SER 17 -7.896 2.922 -10.839 148 H ALA 18 HN ALA 18 -7.431 -0.536 -8.955 149 HA ALA 18 HA ALA 18 -9.691 0.649 -7.765 150 HB1 ALA 18 HB1 ALA 18 -9.510 -1.762 -8.372 151 HB2 ALA 18 HB2 ALA 18 -10.039 -1.525 -6.701 152 HB3 ALA 18 HB3 ALA 18 -8.368 -1.989 -7.040 153 H LEU 19 HN LEU 19 -6.501 -0.141 -6.540 154 HA LEU 19 HA LEU 19 -7.078 0.295 -3.773 155 HB2 LEU 19 HB2 LEU 19 -5.242 -1.189 -4.409 156 HB3 LEU 19 HB1 LEU 19 -4.438 0.109 -5.268 157 HG LEU 19 HG LEU 19 -3.959 1.266 -3.119 158 HD11 LEU 19 HD11 LEU 19 -5.866 0.546 -1.784 159 HD12 LEU 19 HD12 LEU 19 -4.350 0.209 -0.956 160 HD13 LEU 19 HD13 LEU 19 -5.238 -1.102 -1.734 161 HD21 LEU 19 HD21 LEU 19 -2.272 -0.285 -2.258 162 HD22 LEU 19 HD22 LEU 19 -2.296 -0.284 -4.019 163 HD23 LEU 19 HD23 LEU 19 -3.030 -1.621 -3.128 164 H ALA 20 HN ALA 20 -5.367 2.114 -6.324 165 HA ALA 20 HA ALA 20 -4.858 4.520 -4.970 166 HB1 ALA 20 HB1 ALA 20 -4.621 5.505 -7.219 167 HB2 ALA 20 HB2 ALA 20 -5.416 4.100 -7.937 168 HB3 ALA 20 HB3 ALA 20 -3.849 3.922 -7.143 169 H ALA 21 HN ALA 21 -7.804 3.334 -6.460 170 HA ALA 21 HA ALA 21 -9.251 5.819 -6.436 171 HB1 ALA 21 HB1 ALA 21 -11.195 4.432 -6.996 172 HB2 ALA 21 HB2 ALA 21 -10.294 2.967 -6.590 173 HB3 ALA 21 HB3 ALA 21 -9.804 3.950 -7.973 174 H ALA 22 HN ALA 22 -9.078 2.961 -4.357 175 HA ALA 22 HA ALA 22 -11.020 3.693 -2.426 176 HB1 ALA 22 HB1 ALA 22 -8.660 1.793 -2.194 177 HB2 ALA 22 HB2 ALA 22 -10.271 1.377 -2.778 178 HB3 ALA 22 HB3 ALA 22 -10.046 1.858 -1.098 179 H LEU 23 HN LEU 23 -7.581 4.344 -2.730 180 HA LEU 23 HA LEU 23 -7.320 5.537 -0.077 181 HB2 LEU 23 HB2 LEU 23 -5.316 5.491 -2.370 182 HB3 LEU 23 HB1 LEU 23 -4.981 5.935 -0.707 183 HG LEU 23 HG LEU 23 -5.649 3.153 -1.726 184 HD11 LEU 23 HD11 LEU 23 -3.355 2.581 -1.093 185 HD12 LEU 23 HD12 LEU 23 -3.048 4.254 -0.619 186 HD13 LEU 23 HD13 LEU 23 -3.389 3.860 -2.306 187 HD21 LEU 23 HD21 LEU 23 -6.633 3.378 0.458 188 HD22 LEU 23 HD22 LEU 23 -5.142 4.063 1.120 189 HD23 LEU 23 HD23 LEU 23 -5.180 2.380 0.588 190 H GLY 24 HN GLY 24 -8.026 6.509 -3.332 191 HA2 GLY 24 HA2 GLY 24 -8.501 8.537 -4.289 192 HA3 GLY 24 HA1 GLY 24 -8.391 9.288 -2.703 193 H VAL 25 HN VAL 25 -5.873 7.379 -4.200 194 HA VAL 25 HA VAL 25 -4.074 9.721 -4.442 195 HB VAL 25 HB VAL 25 -2.194 8.277 -3.888 196 HG11 VAL 25 HG11 VAL 25 -4.436 7.836 -1.879 197 HG12 VAL 25 HG12 VAL 25 -3.391 9.258 -1.971 198 HG13 VAL 25 HG13 VAL 25 -2.708 7.688 -1.543 199 HG21 VAL 25 HG21 VAL 25 -2.894 6.194 -4.963 200 HG22 VAL 25 HG22 VAL 25 -4.178 5.967 -3.776 201 HG23 VAL 25 HG23 VAL 25 -2.487 5.868 -3.276 202 H ASN 26 HN ASN 26 -2.055 8.887 -5.900 203 HA ASN 26 HA ASN 26 -3.133 8.338 -8.545 204 HB2 ASN 26 HB2 ASN 26 -0.323 9.025 -7.573 205 HB3 ASN 26 HB1 ASN 26 -0.693 8.675 -9.257 206 HD21 ASN 26 HD21 ASN 26 -0.391 10.620 -10.204 207 HD22 ASN 26 HD22 ASN 26 -1.207 12.074 -9.756 208 H GLN 27 HN GLN 27 -2.380 6.692 -9.933 209 HA GLN 27 HA GLN 27 -1.831 4.105 -8.831 210 HB2 GLN 27 HB2 GLN 27 -1.463 4.970 -11.738 211 HB3 GLN 27 HB1 GLN 27 -1.653 3.323 -11.139 212 HG2 GLN 27 HG2 GLN 27 -3.966 3.796 -10.488 213 HG3 GLN 27 HG1 GLN 27 -3.791 5.471 -11.011 214 HE21 GLN 27 HE21 GLN 27 -5.761 3.703 -12.005 215 HE22 GLN 27 HE22 GLN 27 -5.443 3.439 -13.682 216 H SER 28 HN SER 28 0.056 6.672 -10.341 217 HA SER 28 HA SER 28 2.526 5.429 -10.761 218 HB2 SER 28 HB2 SER 28 3.436 7.785 -10.707 219 HB3 SER 28 HB1 SER 28 2.010 7.617 -11.732 220 HG SER 28 HG SER 28 1.129 9.091 -10.549 221 H ALA 29 HN ALA 29 1.181 7.023 -7.914 222 HA ALA 29 HA ALA 29 3.338 6.983 -6.121 223 HB1 ALA 29 HB1 ALA 29 0.377 6.645 -5.556 224 HB2 ALA 29 HB2 ALA 29 1.205 8.186 -5.783 225 HB3 ALA 29 HB3 ALA 29 1.612 7.171 -4.403 226 H ILE 30 HN ILE 30 0.798 4.514 -6.561 227 HA ILE 30 HA ILE 30 1.826 2.607 -4.756 228 HB ILE 30 HB ILE 30 0.084 2.209 -7.228 229 HG12 ILE 30 HG12 ILE 30 -0.656 2.582 -4.285 230 HG13 ILE 30 HG11 ILE 30 -0.867 3.778 -5.559 231 HG21 ILE 30 HG21 ILE 30 1.098 0.052 -6.568 232 HG22 ILE 30 HG22 ILE 30 -0.632 0.054 -6.223 233 HG23 ILE 30 HG23 ILE 30 0.527 0.277 -4.912 234 HD11 ILE 30 HD11 ILE 30 -2.946 2.721 -5.000 235 HD12 ILE 30 HD12 ILE 30 -2.274 1.133 -5.362 236 HD13 ILE 30 HD13 ILE 30 -2.479 2.322 -6.651 237 H SER 31 HN SER 31 2.216 2.961 -8.277 238 HA SER 31 HA SER 31 3.829 0.700 -8.788 239 HB2 SER 31 HB2 SER 31 3.663 3.321 -10.356 240 HB3 SER 31 HB1 SER 31 4.256 1.772 -10.969 241 HG SER 31 HG SER 31 1.732 2.680 -10.812 242 H GLN 32 HN GLN 32 4.648 3.949 -7.635 243 HA GLN 32 HA GLN 32 7.471 3.775 -8.218 244 HB2 GLN 32 HB2 GLN 32 6.196 5.957 -7.976 245 HB3 GLN 32 HB1 GLN 32 6.067 5.640 -6.250 246 HG2 GLN 32 HG2 GLN 32 8.564 5.670 -6.100 247 HG3 GLN 32 HG1 GLN 32 8.635 6.072 -7.814 248 HE21 GLN 32 HE21 GLN 32 6.336 7.363 -5.425 249 HE22 GLN 32 HE22 GLN 32 6.887 8.996 -5.543 250 H MET 33 HN MET 33 5.373 3.257 -5.422 251 HA MET 33 HA MET 33 7.268 2.595 -3.434 252 HB2 MET 33 HB2 MET 33 4.429 1.607 -3.815 253 HB3 MET 33 HB1 MET 33 5.366 1.485 -2.328 254 HG2 MET 33 HG2 MET 33 5.385 4.252 -3.163 255 HG3 MET 33 HG1 MET 33 3.729 3.677 -3.203 256 HE1 MET 33 HE1 MET 33 3.878 1.405 -0.997 257 HE2 MET 33 HE2 MET 33 2.530 2.538 -1.188 258 HE3 MET 33 HE3 MET 33 3.263 2.304 0.398 259 H VAL 34 HN VAL 34 5.607 0.664 -5.863 260 HA VAL 34 HA VAL 34 6.630 -1.894 -5.189 261 HB VAL 34 HB VAL 34 5.483 -0.836 -7.820 262 HG11 VAL 34 HG11 VAL 34 6.829 -2.871 -8.218 263 HG12 VAL 34 HG12 VAL 34 5.109 -3.161 -8.481 264 HG13 VAL 34 HG13 VAL 34 5.885 -3.732 -6.997 265 HG21 VAL 34 HG21 VAL 34 4.133 -2.453 -5.621 266 HG22 VAL 34 HG22 VAL 34 3.371 -1.913 -7.121 267 HG23 VAL 34 HG23 VAL 34 3.892 -0.733 -5.918 268 H ARG 35 HN ARG 35 7.584 0.512 -7.671 269 HA ARG 35 HA ARG 35 9.728 -0.941 -8.809 270 HB2 ARG 35 HB2 ARG 35 8.974 2.001 -8.879 271 HB3 ARG 35 HB1 ARG 35 10.446 1.442 -9.659 272 HG2 ARG 35 HG2 ARG 35 7.691 0.368 -10.338 273 HG3 ARG 35 HG1 ARG 35 8.438 1.735 -11.165 274 HD2 ARG 35 HD2 ARG 35 8.825 -0.190 -12.531 275 HD3 ARG 35 HD1 ARG 35 10.368 0.198 -11.772 276 HE ARG 35 HE ARG 35 8.602 -1.922 -10.694 277 HH11 ARG 35 HH11 ARG 35 12.492 -2.514 -11.569 278 HH12 ARG 35 HH12 ARG 35 11.762 -0.985 -11.951 279 HH21 ARG 35 HH21 ARG 35 11.256 -4.161 -10.582 280 HH22 ARG 35 HH22 ARG 35 9.583 -3.894 -10.207 281 H ALA 36 HN ALA 36 9.572 1.227 -6.052 282 HA ALA 36 HA ALA 36 12.383 1.761 -5.833 283 HB1 ALA 36 HB1 ALA 36 10.677 3.314 -4.965 284 HB2 ALA 36 HB2 ALA 36 11.802 2.825 -3.696 285 HB3 ALA 36 HB3 ALA 36 10.184 2.117 -3.766 286 H GLY 37 HN GLY 37 10.791 -1.108 -5.357 287 HA2 GLY 37 HA2 GLY 37 11.534 -3.120 -4.539 288 HA3 GLY 37 HA1 GLY 37 13.010 -2.330 -4.001 289 H ARG 38 HN ARG 38 9.957 -1.041 -3.013 290 HA ARG 38 HA ARG 38 10.551 -1.637 -0.214 291 HB2 ARG 38 HB2 ARG 38 8.341 0.103 -1.393 292 HB3 ARG 38 HB1 ARG 38 8.811 0.023 0.302 293 HG2 ARG 38 HG2 ARG 38 10.503 1.102 -1.975 294 HG3 ARG 38 HG1 ARG 38 9.665 2.062 -0.754 295 HD2 ARG 38 HD2 ARG 38 11.102 1.059 1.010 296 HD3 ARG 38 HD1 ARG 38 11.940 0.106 -0.220 297 HE ARG 38 HE ARG 38 12.121 2.763 -1.005 298 HH11 ARG 38 HH11 ARG 38 14.681 1.837 1.969 299 HH12 ARG 38 HH12 ARG 38 13.293 0.830 1.714 300 HH21 ARG 38 HH21 ARG 38 13.916 4.077 -0.609 301 HH22 ARG 38 HH22 ARG 38 15.034 3.671 0.656 302 H CYS 39 HN CYS 39 9.735 -3.511 0.566 303 HA CYS 39 HA CYS 39 7.393 -4.848 -0.417 304 HB2 CYS 39 HB2 CYS 39 9.159 -6.134 0.710 305 HB3 CYS 39 HB1 CYS 39 8.974 -5.184 2.179 306 HG CYS 39 HG CYS 39 6.330 -6.136 2.626 307 H ILE 40 HN ILE 40 5.390 -4.013 -0.110 308 HA ILE 40 HA ILE 40 4.896 -2.205 2.176 309 HB ILE 40 HB ILE 40 3.573 -2.158 -0.580 310 HG12 ILE 40 HG12 ILE 40 5.934 -1.350 -0.608 311 HG13 ILE 40 HG11 ILE 40 4.790 -0.062 -0.968 312 HG21 ILE 40 HG21 ILE 40 3.129 -0.274 1.752 313 HG22 ILE 40 HG22 ILE 40 1.971 -1.460 1.151 314 HG23 ILE 40 HG23 ILE 40 2.439 -0.092 0.138 315 HD11 ILE 40 HD11 ILE 40 5.005 0.736 1.367 316 HD12 ILE 40 HD12 ILE 40 6.516 0.756 0.456 317 HD13 ILE 40 HD13 ILE 40 6.225 -0.519 1.639 318 H ASP 41 HN ASP 41 2.980 -2.327 3.223 319 HA ASP 41 HA ASP 41 1.363 -4.783 3.032 320 HB2 ASP 41 HB2 ASP 41 2.888 -4.779 4.987 321 HB3 ASP 41 HB1 ASP 41 2.285 -3.196 5.481 322 H ILE 42 HN ILE 42 -0.910 -4.445 3.387 323 HA ILE 42 HA ILE 42 -1.842 -1.641 3.225 324 HB ILE 42 HB ILE 42 -3.286 -4.108 2.152 325 HG12 ILE 42 HG12 ILE 42 -1.203 -3.700 0.846 326 HG13 ILE 42 HG11 ILE 42 -2.634 -3.384 -0.125 327 HG21 ILE 42 HG21 ILE 42 -3.870 -1.150 1.748 328 HG22 ILE 42 HG22 ILE 42 -4.827 -2.275 2.711 329 HG23 ILE 42 HG23 ILE 42 -4.734 -2.476 0.959 330 HD11 ILE 42 HD11 ILE 42 -0.884 -1.749 -0.509 331 HD12 ILE 42 HD12 ILE 42 -0.903 -1.281 1.188 332 HD13 ILE 42 HD13 ILE 42 -2.317 -0.978 0.168 333 H GLU 43 HN GLU 43 -2.812 -0.996 5.014 334 HA GLU 43 HA GLU 43 -3.773 -2.719 7.107 335 HB2 GLU 43 HB2 GLU 43 -3.928 0.315 6.792 336 HB3 GLU 43 HB1 GLU 43 -4.419 -0.560 8.238 337 HG2 GLU 43 HG2 GLU 43 -2.248 0.411 8.614 338 HG3 GLU 43 HG1 GLU 43 -2.071 -1.342 8.530 339 H LEU 44 HN LEU 44 -5.576 -3.808 6.560 340 HA LEU 44 HA LEU 44 -7.894 -2.574 5.301 341 HB2 LEU 44 HB2 LEU 44 -7.160 -5.372 6.197 342 HB3 LEU 44 HB1 LEU 44 -8.847 -4.993 5.918 343 HG LEU 44 HG LEU 44 -7.746 -6.103 3.970 344 HD11 LEU 44 HD11 LEU 44 -8.743 -3.299 3.417 345 HD12 LEU 44 HD12 LEU 44 -9.727 -4.754 3.607 346 HD13 LEU 44 HD13 LEU 44 -8.625 -4.612 2.241 347 HD21 LEU 44 HD21 LEU 44 -5.502 -5.108 4.193 348 HD22 LEU 44 HD22 LEU 44 -6.138 -3.547 3.667 349 HD23 LEU 44 HD23 LEU 44 -6.157 -4.933 2.567 350 H TYR 45 HN TYR 45 -8.927 -1.166 6.624 351 HA TYR 45 HA TYR 45 -9.298 -1.341 9.408 352 HB2 TYR 45 HB2 TYR 45 -10.881 0.110 7.250 353 HB3 TYR 45 HB1 TYR 45 -11.268 0.260 8.957 354 HD1 TYR 45 HD1 TYR 45 -9.093 0.841 10.479 355 HD2 TYR 45 HD2 TYR 45 -9.564 1.847 6.346 356 HE1 TYR 45 HE1 TYR 45 -7.509 2.698 10.751 357 HE2 TYR 45 HE2 TYR 45 -7.976 3.695 6.620 358 HH TYR 45 HH TYR 45 -7.062 5.103 8.348 359 H THR 46 HN THR 46 -11.251 -1.779 10.588 360 HA THR 46 HA THR 46 -12.291 -4.377 9.985 361 HB THR 46 HB THR 46 -13.460 -4.132 12.207 362 HG1 THR 46 HG1 THR 46 -13.524 -2.235 13.203 363 HG21 THR 46 HG21 THR 46 -11.115 -4.946 12.129 364 HG22 THR 46 HG22 THR 46 -11.417 -4.001 13.588 365 HG23 THR 46 HG23 THR 46 -10.534 -3.282 12.239 366 H ASP 47 HN ASP 47 -13.479 -1.151 9.457 367 HA ASP 47 HA ASP 47 -16.275 -1.858 9.185 368 HB2 ASP 47 HB2 ASP 47 -16.628 0.397 8.398 369 HB3 ASP 47 HB1 ASP 47 -15.471 0.486 9.716 370 H GLY 48 HN GLY 48 -13.497 -2.281 7.251 371 HA2 GLY 48 HA2 GLY 48 -13.705 -3.846 5.404 372 HA3 GLY 48 HA1 GLY 48 -15.130 -2.976 4.865 373 H ARG 49 HN ARG 49 -13.381 -0.449 5.722 374 HA ARG 49 HA ARG 49 -12.515 0.194 3.074 375 HB2 ARG 49 HB2 ARG 49 -13.267 1.934 4.718 376 HB3 ARG 49 HB1 ARG 49 -11.832 1.624 5.691 377 HG2 ARG 49 HG2 ARG 49 -10.400 2.363 3.798 378 HG3 ARG 49 HG1 ARG 49 -11.839 2.692 2.840 379 HD2 ARG 49 HD2 ARG 49 -12.501 4.439 4.456 380 HD3 ARG 49 HD1 ARG 49 -11.056 4.100 5.417 381 HE ARG 49 HE ARG 49 -11.202 5.492 2.850 382 HH11 ARG 49 HH11 ARG 49 -7.681 4.928 4.717 383 HH12 ARG 49 HH12 ARG 49 -9.079 4.070 5.261 384 HH21 ARG 49 HH21 ARG 49 -7.839 6.370 2.957 385 HH22 ARG 49 HH22 ARG 49 -9.356 6.613 2.156 386 H VAL 50 HN VAL 50 -10.442 0.349 2.230 387 HA VAL 50 HA VAL 50 -8.274 -1.138 3.564 388 HB VAL 50 HB VAL 50 -7.333 -1.557 1.455 389 HG11 VAL 50 HG11 VAL 50 -9.538 -2.655 1.580 390 HG12 VAL 50 HG12 VAL 50 -9.102 -2.285 -0.084 391 HG13 VAL 50 HG13 VAL 50 -10.283 -1.281 0.762 392 HG21 VAL 50 HG21 VAL 50 -7.739 -0.257 -0.627 393 HG22 VAL 50 HG22 VAL 50 -7.063 0.740 0.662 394 HG23 VAL 50 HG23 VAL 50 -8.782 0.848 0.282 395 H GLU 51 HN GLU 51 -6.081 -0.154 3.502 396 HA GLU 51 HA GLU 51 -5.795 2.685 2.974 397 HB2 GLU 51 HB2 GLU 51 -6.754 2.706 5.242 398 HB3 GLU 51 HB1 GLU 51 -5.521 1.585 5.801 399 HG2 GLU 51 HG2 GLU 51 -5.006 3.844 6.557 400 HG3 GLU 51 HG1 GLU 51 -3.783 3.301 5.409 401 H CYS 52 HN CYS 52 -3.841 2.836 2.024 402 HA CYS 52 HA CYS 52 -1.580 1.301 3.104 403 HB2 CYS 52 HB2 CYS 52 -1.848 1.270 0.603 404 HB3 CYS 52 HB1 CYS 52 -1.602 3.016 0.593 405 HG CYS 52 HG CYS 52 0.727 0.910 1.925 406 H ARG 53 HN ARG 53 -1.115 2.394 4.963 407 HA ARG 53 HA ARG 53 -1.227 5.239 5.255 408 HB2 ARG 53 HB2 ARG 53 -1.495 3.356 7.080 409 HB3 ARG 53 HB1 ARG 53 0.257 3.381 7.166 410 HG2 ARG 53 HG2 ARG 53 -1.438 5.861 7.612 411 HG3 ARG 53 HG1 ARG 53 -1.025 4.752 8.912 412 HD2 ARG 53 HD2 ARG 53 1.370 5.228 8.580 413 HD3 ARG 53 HD1 ARG 53 0.979 6.299 7.232 414 HE ARG 53 HE ARG 53 -0.148 7.762 8.811 415 HH11 ARG 53 HH11 ARG 53 2.276 6.345 11.685 416 HH12 ARG 53 HH12 ARG 53 2.037 5.409 10.245 417 HH21 ARG 53 HH21 ARG 53 0.194 8.968 10.683 418 HH22 ARG 53 HH22 ARG 53 1.232 8.354 11.930 419 H GLU 54 HN GLU 54 1.228 2.899 4.432 420 HA GLU 54 HA GLU 54 3.560 4.455 4.630 421 HB2 GLU 54 HB2 GLU 54 3.393 1.932 4.281 422 HB3 GLU 54 HB1 GLU 54 3.108 2.276 2.576 423 HG2 GLU 54 HG2 GLU 54 5.463 1.731 2.985 424 HG3 GLU 54 HG1 GLU 54 5.288 3.390 2.413 425 H LEU 55 HN LEU 55 1.078 4.271 2.163 426 HA LEU 55 HA LEU 55 2.531 6.061 0.374 427 HB2 LEU 55 HB2 LEU 55 1.366 3.936 -0.473 428 HB3 LEU 55 HB1 LEU 55 -0.158 4.742 -0.176 429 HG LEU 55 HG LEU 55 0.762 4.774 -2.602 430 HD11 LEU 55 HD11 LEU 55 -0.042 7.009 -3.104 431 HD12 LEU 55 HD12 LEU 55 0.056 7.455 -1.399 432 HD13 LEU 55 HD13 LEU 55 -1.090 6.222 -1.925 433 HD21 LEU 55 HD21 LEU 55 2.437 6.421 -3.173 434 HD22 LEU 55 HD22 LEU 55 3.098 5.333 -1.961 435 HD23 LEU 55 HD23 LEU 55 2.567 6.946 -1.493 436 H ARG 56 HN ARG 56 2.411 7.910 1.504 437 HA ARG 56 HA ARG 56 -0.028 9.240 2.236 438 HB2 ARG 56 HB2 ARG 56 2.795 10.314 1.774 439 HB3 ARG 56 HB1 ARG 56 1.452 11.316 2.302 440 HG2 ARG 56 HG2 ARG 56 2.664 10.827 4.267 441 HG3 ARG 56 HG1 ARG 56 1.243 9.789 4.325 442 HD2 ARG 56 HD2 ARG 56 2.648 7.885 3.507 443 HD3 ARG 56 HD1 ARG 56 4.062 8.950 3.557 444 HE ARG 56 HE ARG 56 2.818 9.006 6.067 445 HH11 ARG 56 HH11 ARG 56 4.624 6.718 4.088 446 HH12 ARG 56 HH12 ARG 56 5.223 5.839 5.457 447 HH21 ARG 56 HH21 ARG 56 4.625 6.466 7.568 448 HH22 ARG 56 HH22 ARG 56 3.579 7.823 7.821 449 HA PRO 57 HA PRO 57 -1.193 10.906 -1.871 450 HB2 PRO 57 HB2 PRO 57 -1.911 13.435 -0.405 451 HB3 PRO 57 HB1 PRO 57 -2.914 12.423 -1.469 452 HG2 PRO 57 HG2 PRO 57 -3.307 12.394 1.167 453 HG3 PRO 57 HG1 PRO 57 -3.424 10.899 0.212 454 HD2 PRO 57 HD2 PRO 57 -1.154 11.833 1.968 455 HD3 PRO 57 HD1 PRO 57 -1.857 10.205 1.798 456 H ASP 58 HN ASP 58 0.884 12.564 0.370 457 HA ASP 58 HA ASP 58 1.570 14.886 -1.082 458 HB2 ASP 58 HB2 ASP 58 3.265 13.510 1.046 459 HB3 ASP 58 HB1 ASP 58 3.294 15.217 0.612 460 H VAL 59 HN VAL 59 2.723 11.644 -1.200 461 HA VAL 59 HA VAL 59 5.186 11.666 -2.385 462 HB VAL 59 HB VAL 59 2.773 9.853 -2.860 463 HG11 VAL 59 HG11 VAL 59 5.653 9.298 -3.693 464 HG12 VAL 59 HG12 VAL 59 4.294 9.571 -4.780 465 HG13 VAL 59 HG13 VAL 59 4.326 8.138 -3.757 466 HG21 VAL 59 HG21 VAL 59 5.237 9.496 -1.100 467 HG22 VAL 59 HG22 VAL 59 3.936 8.317 -1.288 468 HG23 VAL 59 HG23 VAL 59 3.606 9.882 -0.542 469 H PHE 60 HN PHE 60 2.031 11.993 -4.085 470 HA PHE 60 HA PHE 60 3.410 13.236 -6.402 471 HB2 PHE 60 HB2 PHE 60 1.405 10.955 -6.433 472 HB3 PHE 60 HB1 PHE 60 1.394 12.100 -7.770 473 HD1 PHE 60 HD1 PHE 60 3.440 12.359 -9.215 474 HD2 PHE 60 HD2 PHE 60 3.166 9.293 -6.253 475 HE1 PHE 60 HE1 PHE 60 5.280 11.142 -10.296 476 HE2 PHE 60 HE2 PHE 60 5.000 8.084 -7.343 477 HZ PHE 60 HZ PHE 60 6.062 9.000 -9.364 478 H GLY 61 HN GLY 61 1.734 14.178 -3.966 479 HA2 GLY 61 HA2 GLY 61 0.253 15.865 -3.490 480 HA3 GLY 61 HA1 GLY 61 0.574 16.460 -5.114 481 H ALA 62 HN ALA 62 -0.996 13.573 -3.820 482 HA ALA 62 HA ALA 62 -2.828 13.417 -6.027 483 HB1 ALA 62 HB1 ALA 62 -1.674 11.439 -5.129 484 HB2 ALA 62 HB2 ALA 62 -3.423 11.257 -5.037 485 HB3 ALA 62 HB3 ALA 62 -2.506 11.640 -3.579 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -6.860 -0.311 11.867 2 H2 MET 1 HT2 MET 1 -5.795 -1.406 12.588 3 H3 MET 1 HT3 MET 1 -7.340 -1.909 12.138 4 HA MET 1 HA MET 1 -6.827 -1.575 9.826 5 HB2 MET 1 HB2 MET 1 -4.507 -1.053 9.120 6 HB3 MET 1 HB1 MET 1 -5.188 0.254 10.077 7 HG2 MET 1 HG2 MET 1 -3.908 -0.516 12.045 8 HG3 MET 1 HG1 MET 1 -3.222 -1.828 11.084 9 HE1 MET 1 HE1 MET 1 -1.449 0.295 12.750 10 HE2 MET 1 HE2 MET 1 -0.179 0.663 11.583 11 HE3 MET 1 HE3 MET 1 -0.725 -1.000 11.793 12 H LYS 2 HN LYS 2 -5.924 -3.287 8.574 13 HA LYS 2 HA LYS 2 -4.432 -5.421 10.006 14 HB2 LYS 2 HB2 LYS 2 -6.453 -5.789 7.732 15 HB3 LYS 2 HB1 LYS 2 -5.511 -7.073 8.491 16 HG2 LYS 2 HG2 LYS 2 -6.664 -6.492 10.681 17 HG3 LYS 2 HG1 LYS 2 -7.698 -5.405 9.754 18 HD2 LYS 2 HD2 LYS 2 -8.869 -7.503 10.092 19 HD3 LYS 2 HD1 LYS 2 -8.467 -7.345 8.381 20 HE2 LYS 2 HE2 LYS 2 -6.533 -8.858 8.707 21 HE3 LYS 2 HE1 LYS 2 -6.952 -9.018 10.415 22 HZ1 LYS 2 HZ1 LYS 2 -9.063 -9.997 9.769 23 HZ2 LYS 2 HZ2 LYS 2 -7.774 -10.878 9.122 24 HZ3 LYS 2 HZ3 LYS 2 -8.669 -9.843 8.129 25 H LYS 3 HN LYS 3 -3.068 -6.712 8.418 26 HA LYS 3 HA LYS 3 -1.834 -4.847 6.472 27 HB2 LYS 3 HB2 LYS 3 -0.495 -6.867 8.315 28 HB3 LYS 3 HB1 LYS 3 0.343 -6.039 7.004 29 HG2 LYS 3 HG2 LYS 3 -0.993 -4.690 9.367 30 HG3 LYS 3 HG1 LYS 3 0.742 -4.956 9.179 31 HD2 LYS 3 HD2 LYS 3 0.817 -3.466 7.258 32 HD3 LYS 3 HD1 LYS 3 -0.940 -3.311 7.254 33 HE2 LYS 3 HE2 LYS 3 -0.898 -2.096 9.340 34 HE3 LYS 3 HE1 LYS 3 0.832 -2.399 9.531 35 HZ1 LYS 3 HZ1 LYS 3 0.242 -0.149 8.682 36 HZ2 LYS 3 HZ2 LYS 3 -0.302 -0.876 7.253 37 HZ3 LYS 3 HZ3 LYS 3 1.316 -1.001 7.705 38 H ILE 4 HN ILE 4 -1.653 -5.429 4.486 39 HA ILE 4 HA ILE 4 -1.627 -8.273 3.656 40 HB ILE 4 HB ILE 4 -2.671 -5.907 2.043 41 HG12 ILE 4 HG12 ILE 4 -4.228 -8.046 3.543 42 HG13 ILE 4 HG11 ILE 4 -4.286 -6.305 3.804 43 HG21 ILE 4 HG21 ILE 4 -1.747 -7.687 0.615 44 HG22 ILE 4 HG22 ILE 4 -3.485 -7.503 0.389 45 HG23 ILE 4 HG23 ILE 4 -2.854 -8.849 1.347 46 HD11 ILE 4 HD11 ILE 4 -5.293 -7.798 1.401 47 HD12 ILE 4 HD12 ILE 4 -5.290 -6.039 1.573 48 HD13 ILE 4 HD13 ILE 4 -6.252 -7.033 2.666 49 HA PRO 5 HA PRO 5 2.349 -6.974 1.754 50 HB2 PRO 5 HB2 PRO 5 2.013 -9.396 0.015 51 HB3 PRO 5 HB1 PRO 5 3.304 -9.025 1.178 52 HG2 PRO 5 HG2 PRO 5 1.506 -10.946 1.687 53 HG3 PRO 5 HG1 PRO 5 2.126 -9.899 2.991 54 HD2 PRO 5 HD2 PRO 5 -0.483 -9.648 1.462 55 HD3 PRO 5 HD1 PRO 5 -0.220 -9.566 3.215 56 H LEU 6 HN LEU 6 2.797 -5.806 -0.151 57 HA LEU 6 HA LEU 6 0.733 -4.556 -1.492 58 HB2 LEU 6 HB2 LEU 6 3.086 -3.727 -1.312 59 HB3 LEU 6 HB1 LEU 6 3.575 -4.911 -2.508 60 HG LEU 6 HG LEU 6 2.107 -3.768 -4.190 61 HD11 LEU 6 HD11 LEU 6 0.471 -2.746 -2.706 62 HD12 LEU 6 HD12 LEU 6 1.234 -1.528 -3.723 63 HD13 LEU 6 HD13 LEU 6 1.709 -1.681 -2.028 64 HD21 LEU 6 HD21 LEU 6 4.194 -1.977 -2.907 65 HD22 LEU 6 HD22 LEU 6 3.572 -1.835 -4.553 66 HD23 LEU 6 HD23 LEU 6 4.503 -3.254 -4.085 67 H SER 7 HN SER 7 2.872 -7.091 -2.691 68 HA SER 7 HA SER 7 1.862 -7.452 -5.253 69 HB2 SER 7 HB2 SER 7 2.993 -9.704 -5.080 70 HB3 SER 7 HB1 SER 7 4.006 -8.357 -4.565 71 HG SER 7 HG SER 7 3.478 -10.496 -3.192 72 H LYS 8 HN LYS 8 0.983 -9.160 -2.232 73 HA LYS 8 HA LYS 8 -0.958 -10.893 -3.365 74 HB2 LYS 8 HB2 LYS 8 -0.124 -10.120 -0.599 75 HB3 LYS 8 HB1 LYS 8 -1.728 -10.819 -0.745 76 HG2 LYS 8 HG2 LYS 8 0.791 -12.157 -1.779 77 HG3 LYS 8 HG1 LYS 8 0.078 -12.457 -0.191 78 HD2 LYS 8 HD2 LYS 8 -2.013 -13.230 -1.273 79 HD3 LYS 8 HD1 LYS 8 -1.303 -12.935 -2.861 80 HE2 LYS 8 HE2 LYS 8 0.337 -14.682 -2.521 81 HE3 LYS 8 HE1 LYS 8 -0.150 -14.880 -0.837 82 HZ1 LYS 8 HZ1 LYS 8 -2.272 -15.731 -1.542 83 HZ2 LYS 8 HZ2 LYS 8 -1.053 -16.602 -2.329 84 HZ3 LYS 8 HZ3 LYS 8 -1.918 -15.420 -3.165 85 H TYR 9 HN TYR 9 -1.223 -7.605 -2.116 86 HA TYR 9 HA TYR 9 -4.085 -7.502 -2.126 87 HB2 TYR 9 HB2 TYR 9 -2.709 -5.816 -0.874 88 HB3 TYR 9 HB1 TYR 9 -2.118 -5.168 -2.397 89 HD1 TYR 9 HD1 TYR 9 -5.045 -5.414 -0.148 90 HD2 TYR 9 HD2 TYR 9 -3.601 -3.791 -3.838 91 HE1 TYR 9 HE1 TYR 9 -7.032 -4.003 -0.309 92 HE2 TYR 9 HE2 TYR 9 -5.597 -2.369 -3.989 93 HH TYR 9 HH TYR 9 -7.883 -2.337 -3.175 94 H LEU 10 HN LEU 10 -1.542 -6.645 -4.435 95 HA LEU 10 HA LEU 10 -3.264 -5.486 -6.386 96 HB2 LEU 10 HB2 LEU 10 -0.359 -6.359 -6.535 97 HB3 LEU 10 HB1 LEU 10 -1.183 -5.454 -7.795 98 HG LEU 10 HG LEU 10 -0.627 -4.475 -4.969 99 HD11 LEU 10 HD11 LEU 10 1.383 -4.519 -6.339 100 HD12 LEU 10 HD12 LEU 10 0.882 -2.859 -6.032 101 HD13 LEU 10 HD13 LEU 10 0.575 -3.593 -7.609 102 HD21 LEU 10 HD21 LEU 10 -2.085 -3.094 -7.234 103 HD22 LEU 10 HD22 LEU 10 -1.522 -2.292 -5.767 104 HD23 LEU 10 HD23 LEU 10 -2.737 -3.561 -5.661 105 H GLU 11 HN GLU 11 -2.281 -8.777 -5.806 106 HA GLU 11 HA GLU 11 -3.204 -9.652 -8.453 107 HB2 GLU 11 HB2 GLU 11 -2.312 -11.346 -6.065 108 HB3 GLU 11 HB1 GLU 11 -2.622 -11.933 -7.694 109 HG2 GLU 11 HG2 GLU 11 -0.360 -10.154 -6.770 110 HG3 GLU 11 HG1 GLU 11 -0.249 -11.786 -7.411 111 H GLU 12 HN GLU 12 -4.130 -10.075 -5.008 112 HA GLU 12 HA GLU 12 -6.467 -11.645 -5.839 113 HB2 GLU 12 HB2 GLU 12 -5.405 -11.219 -3.016 114 HB3 GLU 12 HB1 GLU 12 -6.565 -12.434 -3.533 115 HG2 GLU 12 HG2 GLU 12 -3.630 -12.325 -4.314 116 HG3 GLU 12 HG1 GLU 12 -4.343 -13.405 -3.122 117 H HIS 13 HN HIS 13 -5.768 -8.786 -3.770 118 HA HIS 13 HA HIS 13 -8.590 -8.611 -2.965 119 HB2 HIS 13 HB2 HIS 13 -6.104 -7.186 -1.943 120 HB3 HIS 13 HB1 HIS 13 -7.724 -6.900 -1.306 121 HD1 HIS 13 HD1 HIS 13 -8.412 -8.357 0.575 122 HD2 HIS 13 HD2 HIS 13 -5.197 -9.970 -1.516 123 HE1 HIS 13 HE1 HIS 13 -7.662 -10.336 1.918 124 HE2 HIS 13 HE2 HIS 13 -5.860 -11.406 0.525 125 H GLY 14 HN GLY 14 -6.682 -7.169 -5.351 126 HA2 GLY 14 HA2 GLY 14 -8.621 -5.551 -6.457 127 HA3 GLY 14 HA1 GLY 14 -7.775 -4.497 -5.323 128 H THR 15 HN THR 15 -7.670 -3.751 -7.888 129 HA THR 15 HA THR 15 -5.146 -4.654 -9.098 130 HB THR 15 HB THR 15 -5.772 -2.969 -10.901 131 HG1 THR 15 HG1 THR 15 -8.391 -2.819 -9.975 132 HG21 THR 15 HG21 THR 15 -7.904 -5.042 -10.278 133 HG22 THR 15 HG22 THR 15 -6.395 -5.351 -11.138 134 HG23 THR 15 HG23 THR 15 -7.616 -4.295 -11.850 135 H GLN 16 HN GLN 16 -3.784 -2.713 -10.015 136 HA GLN 16 HA GLN 16 -2.790 -1.114 -7.856 137 HB2 GLN 16 HB2 GLN 16 -2.193 -0.898 -10.845 138 HB3 GLN 16 HB1 GLN 16 -1.328 -0.026 -9.586 139 HG2 GLN 16 HG2 GLN 16 0.087 -1.807 -10.143 140 HG3 GLN 16 HG1 GLN 16 -0.681 -2.321 -8.646 141 HE21 GLN 16 HE21 GLN 16 -2.186 -4.058 -8.738 142 HE22 GLN 16 HE22 GLN 16 -2.249 -5.123 -10.096 143 H SER 17 HN SER 17 -5.006 -0.640 -10.496 144 HA SER 17 HA SER 17 -5.426 2.163 -10.327 145 HB2 SER 17 HB2 SER 17 -7.348 -0.004 -11.264 146 HB3 SER 17 HB1 SER 17 -7.407 1.706 -11.697 147 HG SER 17 HG SER 17 -5.804 1.432 -13.084 148 H ALA 18 HN ALA 18 -7.126 -0.649 -8.943 149 HA ALA 18 HA ALA 18 -9.125 0.665 -7.449 150 HB1 ALA 18 HB1 ALA 18 -9.127 -1.787 -7.907 151 HB2 ALA 18 HB2 ALA 18 -9.355 -1.418 -6.196 152 HB3 ALA 18 HB3 ALA 18 -7.782 -1.977 -6.775 153 H LEU 19 HN LEU 19 -5.807 -0.241 -6.711 154 HA LEU 19 HA LEU 19 -5.878 0.323 -3.937 155 HB2 LEU 19 HB2 LEU 19 -4.148 -1.151 -4.880 156 HB3 LEU 19 HB1 LEU 19 -3.501 0.171 -5.839 157 HG LEU 19 HG LEU 19 -2.761 1.334 -3.789 158 HD11 LEU 19 HD11 LEU 19 -2.864 0.285 -1.585 159 HD12 LEU 19 HD12 LEU 19 -3.831 -1.039 -2.239 160 HD13 LEU 19 HD13 LEU 19 -4.475 0.605 -2.221 161 HD21 LEU 19 HD21 LEU 19 -1.794 -1.540 -3.841 162 HD22 LEU 19 HD22 LEU 19 -0.953 -0.166 -3.116 163 HD23 LEU 19 HD23 LEU 19 -1.199 -0.226 -4.859 164 H ALA 20 HN ALA 20 -4.499 2.111 -6.697 165 HA ALA 20 HA ALA 20 -3.854 4.542 -5.395 166 HB1 ALA 20 HB1 ALA 20 -3.658 5.461 -7.669 167 HB2 ALA 20 HB2 ALA 20 -4.507 4.060 -8.334 168 HB3 ALA 20 HB3 ALA 20 -2.926 3.860 -7.577 169 H ALA 21 HN ALA 21 -6.930 3.333 -6.606 170 HA ALA 21 HA ALA 21 -8.362 5.823 -6.551 171 HB1 ALA 21 HB1 ALA 21 -10.386 4.425 -6.646 172 HB2 ALA 21 HB2 ALA 21 -9.424 2.984 -6.301 173 HB3 ALA 21 HB3 ALA 21 -9.184 3.866 -7.809 174 H ALA 22 HN ALA 22 -7.875 3.167 -4.235 175 HA ALA 22 HA ALA 22 -9.414 4.267 -2.087 176 HB1 ALA 22 HB1 ALA 22 -7.235 2.148 -2.008 177 HB2 ALA 22 HB2 ALA 22 -8.950 1.853 -2.289 178 HB3 ALA 22 HB3 ALA 22 -8.415 2.478 -0.730 179 H LEU 23 HN LEU 23 -6.077 4.576 -3.110 180 HA LEU 23 HA LEU 23 -5.179 5.961 -0.704 181 HB2 LEU 23 HB2 LEU 23 -3.731 5.602 -3.363 182 HB3 LEU 23 HB1 LEU 23 -3.015 6.142 -1.853 183 HG LEU 23 HG LEU 23 -4.007 3.353 -2.522 184 HD11 LEU 23 HD11 LEU 23 -1.816 3.870 -3.436 185 HD12 LEU 23 HD12 LEU 23 -1.696 2.661 -2.162 186 HD13 LEU 23 HD13 LEU 23 -1.233 4.333 -1.835 187 HD21 LEU 23 HD21 LEU 23 -4.657 3.796 -0.236 188 HD22 LEU 23 HD22 LEU 23 -3.023 4.336 0.157 189 HD23 LEU 23 HD23 LEU 23 -3.318 2.650 -0.276 190 H GLY 24 HN GLY 24 -6.632 6.727 -3.728 191 HA2 GLY 24 HA2 GLY 24 -7.360 8.686 -4.663 192 HA3 GLY 24 HA1 GLY 24 -6.847 9.527 -3.208 193 H VAL 25 HN VAL 25 -4.658 7.568 -5.117 194 HA VAL 25 HA VAL 25 -3.151 9.952 -6.023 195 HB VAL 25 HB VAL 25 -1.066 8.755 -5.667 196 HG11 VAL 25 HG11 VAL 25 -2.774 8.409 -3.192 197 HG12 VAL 25 HG12 VAL 25 -2.067 9.939 -3.730 198 HG13 VAL 25 HG13 VAL 25 -1.018 8.605 -3.249 199 HG21 VAL 25 HG21 VAL 25 -2.716 6.349 -4.780 200 HG22 VAL 25 HG22 VAL 25 -0.959 6.476 -4.651 201 HG23 VAL 25 HG23 VAL 25 -1.729 6.460 -6.238 202 H ASN 26 HN ASN 26 -1.442 9.173 -7.750 203 HA ASN 26 HA ASN 26 -2.812 7.784 -9.922 204 HB2 ASN 26 HB2 ASN 26 -0.011 9.006 -9.822 205 HB3 ASN 26 HB1 ASN 26 -0.824 8.416 -11.270 206 HD21 ASN 26 HD21 ASN 26 0.241 11.076 -10.682 207 HD22 ASN 26 HD22 ASN 26 -1.086 12.170 -10.840 208 H GLN 27 HN GLN 27 -1.918 5.954 -10.953 209 HA GLN 27 HA GLN 27 -0.750 3.899 -9.363 210 HB2 GLN 27 HB2 GLN 27 -1.095 4.110 -12.383 211 HB3 GLN 27 HB1 GLN 27 -0.624 2.640 -11.534 212 HG2 GLN 27 HG2 GLN 27 -2.772 2.564 -10.384 213 HG3 GLN 27 HG1 GLN 27 -3.244 4.098 -11.120 214 HE21 GLN 27 HE21 GLN 27 -2.592 0.707 -11.762 215 HE22 GLN 27 HE22 GLN 27 -3.405 0.641 -13.281 216 H SER 28 HN SER 28 0.609 6.481 -11.155 217 HA SER 28 HA SER 28 3.161 5.737 -11.822 218 HB2 SER 28 HB2 SER 28 2.515 8.374 -10.438 219 HB3 SER 28 HB1 SER 28 3.747 8.072 -11.666 220 HG SER 28 HG SER 28 1.955 7.543 -13.094 221 H ALA 29 HN ALA 29 1.964 6.764 -8.612 222 HA ALA 29 HA ALA 29 4.237 6.440 -6.982 223 HB1 ALA 29 HB1 ALA 29 1.315 5.865 -6.379 224 HB2 ALA 29 HB2 ALA 29 2.171 7.382 -6.122 225 HB3 ALA 29 HB3 ALA 29 2.611 5.977 -5.168 226 H ILE 30 HN ILE 30 1.672 4.049 -7.665 227 HA ILE 30 HA ILE 30 2.640 2.053 -5.949 228 HB ILE 30 HB ILE 30 0.928 1.576 -8.452 229 HG12 ILE 30 HG12 ILE 30 -0.115 3.383 -7.196 230 HG13 ILE 30 HG11 ILE 30 -1.063 1.923 -6.956 231 HG21 ILE 30 HG21 ILE 30 1.084 -0.021 -5.863 232 HG22 ILE 30 HG22 ILE 30 1.704 -0.518 -7.439 233 HG23 ILE 30 HG23 ILE 30 -0.031 -0.324 -7.198 234 HD11 ILE 30 HD11 ILE 30 0.843 3.194 -4.990 235 HD12 ILE 30 HD12 ILE 30 0.021 1.652 -4.737 236 HD13 ILE 30 HD13 ILE 30 -0.917 3.134 -4.904 237 H SER 31 HN SER 31 3.156 2.534 -9.425 238 HA SER 31 HA SER 31 4.591 0.124 -9.952 239 HB2 SER 31 HB2 SER 31 3.344 1.465 -11.665 240 HB3 SER 31 HB1 SER 31 4.570 2.727 -11.549 241 HG SER 31 HG SER 31 4.849 1.158 -13.293 242 H GLN 32 HN GLN 32 5.606 3.379 -8.941 243 HA GLN 32 HA GLN 32 8.447 2.927 -9.256 244 HB2 GLN 32 HB2 GLN 32 6.865 5.082 -7.795 245 HB3 GLN 32 HB1 GLN 32 8.626 5.068 -7.880 246 HG2 GLN 32 HG2 GLN 32 8.572 5.328 -10.300 247 HG3 GLN 32 HG1 GLN 32 6.816 5.148 -10.314 248 HE21 GLN 32 HE21 GLN 32 6.429 7.162 -11.265 249 HE22 GLN 32 HE22 GLN 32 6.708 8.658 -10.443 250 H MET 33 HN MET 33 6.118 2.620 -6.637 251 HA MET 33 HA MET 33 7.855 2.053 -4.451 252 HB2 MET 33 HB2 MET 33 5.010 1.064 -4.911 253 HB3 MET 33 HB1 MET 33 5.838 1.180 -3.361 254 HG2 MET 33 HG2 MET 33 5.833 3.639 -3.518 255 HG3 MET 33 HG1 MET 33 5.157 3.539 -5.123 256 HE1 MET 33 HE1 MET 33 3.983 1.098 -2.282 257 HE2 MET 33 HE2 MET 33 2.875 2.147 -1.395 258 HE3 MET 33 HE3 MET 33 4.603 2.515 -1.435 259 H VAL 34 HN VAL 34 6.324 0.107 -6.936 260 HA VAL 34 HA VAL 34 7.385 -2.458 -6.181 261 HB VAL 34 HB VAL 34 5.985 -1.404 -8.686 262 HG11 VAL 34 HG11 VAL 34 6.723 -4.305 -8.161 263 HG12 VAL 34 HG12 VAL 34 7.423 -3.261 -9.401 264 HG13 VAL 34 HG13 VAL 34 5.720 -3.702 -9.486 265 HG21 VAL 34 HG21 VAL 34 4.055 -2.691 -7.891 266 HG22 VAL 34 HG22 VAL 34 4.589 -1.560 -6.650 267 HG23 VAL 34 HG23 VAL 34 4.980 -3.275 -6.505 268 H ARG 35 HN ARG 35 8.409 0.185 -8.302 269 HA ARG 35 HA ARG 35 10.383 -1.183 -9.829 270 HB2 ARG 35 HB2 ARG 35 9.285 1.045 -10.391 271 HB3 ARG 35 HB1 ARG 35 10.313 1.804 -9.193 272 HG2 ARG 35 HG2 ARG 35 11.533 0.267 -11.500 273 HG3 ARG 35 HG1 ARG 35 10.950 1.909 -11.736 274 HD2 ARG 35 HD2 ARG 35 12.527 2.765 -10.098 275 HD3 ARG 35 HD1 ARG 35 13.036 1.130 -9.668 276 HE ARG 35 HE ARG 35 13.403 2.070 -12.433 277 HH11 ARG 35 HH11 ARG 35 16.495 1.082 -10.035 278 HH12 ARG 35 HH12 ARG 35 14.902 1.192 -9.363 279 HH21 ARG 35 HH21 ARG 35 16.826 1.476 -12.282 280 HH22 ARG 35 HH22 ARG 35 15.488 1.886 -13.308 281 H ALA 36 HN ALA 36 10.403 0.373 -6.705 282 HA ALA 36 HA ALA 36 13.227 0.333 -6.233 283 HB1 ALA 36 HB1 ALA 36 11.711 1.858 -5.030 284 HB2 ALA 36 HB2 ALA 36 12.616 0.852 -3.900 285 HB3 ALA 36 HB3 ALA 36 10.925 0.485 -4.248 286 H GLY 37 HN GLY 37 10.996 -2.183 -6.439 287 HA2 GLY 37 HA2 GLY 37 11.244 -4.460 -6.181 288 HA3 GLY 37 HA1 GLY 37 12.841 -4.185 -5.500 289 H ARG 38 HN ARG 38 10.085 -2.529 -4.211 290 HA ARG 38 HA ARG 38 10.451 -3.944 -1.653 291 HB2 ARG 38 HB2 ARG 38 9.299 -1.179 -2.200 292 HB3 ARG 38 HB1 ARG 38 9.557 -1.886 -0.615 293 HG2 ARG 38 HG2 ARG 38 11.754 -1.183 -2.587 294 HG3 ARG 38 HG1 ARG 38 11.258 -0.180 -1.227 295 HD2 ARG 38 HD2 ARG 38 13.242 -1.326 -0.568 296 HD3 ARG 38 HD1 ARG 38 11.912 -2.091 0.302 297 HE ARG 38 HE ARG 38 12.658 -3.372 -2.186 298 HH11 ARG 38 HH11 ARG 38 13.959 -4.927 1.301 299 HH12 ARG 38 HH12 ARG 38 13.325 -3.310 1.281 300 HH21 ARG 38 HH21 ARG 38 13.405 -5.526 -2.106 301 HH22 ARG 38 HH22 ARG 38 14.003 -6.174 -0.606 302 H CYS 39 HN CYS 39 8.907 -5.455 -1.282 303 HA CYS 39 HA CYS 39 6.137 -5.146 -2.066 304 HB2 CYS 39 HB2 CYS 39 7.200 -7.403 -1.773 305 HB3 CYS 39 HB1 CYS 39 7.362 -7.085 -0.049 306 HG CYS 39 HG CYS 39 4.959 -8.574 -1.501 307 H ILE 40 HN ILE 40 4.875 -3.749 -1.065 308 HA ILE 40 HA ILE 40 5.685 -2.510 1.470 309 HB ILE 40 HB ILE 40 3.581 -1.651 -0.582 310 HG12 ILE 40 HG12 ILE 40 5.863 -1.664 -1.576 311 HG13 ILE 40 HG11 ILE 40 5.198 -0.043 -1.462 312 HG21 ILE 40 HG21 ILE 40 3.721 0.568 0.502 313 HG22 ILE 40 HG22 ILE 40 4.779 -0.109 1.740 314 HG23 ILE 40 HG23 ILE 40 3.116 -0.682 1.590 315 HD11 ILE 40 HD11 ILE 40 7.524 -0.021 -0.922 316 HD12 ILE 40 HD12 ILE 40 7.300 -1.260 0.315 317 HD13 ILE 40 HD13 ILE 40 6.600 0.347 0.534 318 H ASP 41 HN ASP 41 4.311 -2.444 3.263 319 HA ASP 41 HA ASP 41 2.168 -4.397 3.376 320 HB2 ASP 41 HB2 ASP 41 2.143 -3.962 5.780 321 HB3 ASP 41 HB1 ASP 41 3.787 -4.239 5.223 322 H ILE 42 HN ILE 42 0.038 -3.973 3.834 323 HA ILE 42 HA ILE 42 -0.965 -1.337 2.904 324 HB ILE 42 HB ILE 42 -1.847 -4.183 2.224 325 HG12 ILE 42 HG12 ILE 42 0.036 -3.318 0.864 326 HG13 ILE 42 HG11 ILE 42 -1.398 -3.576 -0.117 327 HG21 ILE 42 HG21 ILE 42 -3.338 -1.643 1.528 328 HG22 ILE 42 HG22 ILE 42 -3.897 -2.945 2.577 329 HG23 ILE 42 HG23 ILE 42 -3.681 -3.234 0.849 330 HD11 ILE 42 HD11 ILE 42 -1.835 -1.155 -0.100 331 HD12 ILE 42 HD12 ILE 42 -0.251 -1.546 -0.766 332 HD13 ILE 42 HD13 ILE 42 -0.380 -0.909 0.872 333 H GLU 43 HN GLU 43 -2.111 -0.349 4.497 334 HA GLU 43 HA GLU 43 -3.404 -1.786 6.650 335 HB2 GLU 43 HB2 GLU 43 -3.784 1.141 5.848 336 HB3 GLU 43 HB1 GLU 43 -4.326 0.396 7.344 337 HG2 GLU 43 HG2 GLU 43 -2.429 1.546 8.008 338 HG3 GLU 43 HG1 GLU 43 -1.834 -0.092 7.781 339 H LEU 44 HN LEU 44 -4.917 -3.185 5.761 340 HA LEU 44 HA LEU 44 -7.121 -2.145 4.150 341 HB2 LEU 44 HB2 LEU 44 -6.221 -4.481 3.806 342 HB3 LEU 44 HB1 LEU 44 -6.803 -4.903 5.409 343 HG LEU 44 HG LEU 44 -9.151 -4.417 4.664 344 HD11 LEU 44 HD11 LEU 44 -8.682 -2.808 2.884 345 HD12 LEU 44 HD12 LEU 44 -9.657 -4.147 2.286 346 HD13 LEU 44 HD13 LEU 44 -7.933 -4.080 1.912 347 HD21 LEU 44 HD21 LEU 44 -8.260 -6.728 4.569 348 HD22 LEU 44 HD22 LEU 44 -7.762 -6.453 2.895 349 HD23 LEU 44 HD23 LEU 44 -9.475 -6.419 3.329 350 H TYR 45 HN TYR 45 -8.918 -1.302 5.030 351 HA TYR 45 HA TYR 45 -9.427 -1.494 7.939 352 HB2 TYR 45 HB2 TYR 45 -10.325 0.550 5.855 353 HB3 TYR 45 HB1 TYR 45 -10.835 0.574 7.544 354 HD1 TYR 45 HD1 TYR 45 -9.221 1.147 9.336 355 HD2 TYR 45 HD2 TYR 45 -8.030 1.234 5.233 356 HE1 TYR 45 HE1 TYR 45 -7.181 2.365 9.950 357 HE2 TYR 45 HE2 TYR 45 -5.990 2.461 5.852 358 HH TYR 45 HH TYR 45 -5.156 3.868 7.675 359 H THR 46 HN THR 46 -11.697 -1.540 8.592 360 HA THR 46 HA THR 46 -12.819 -3.970 7.793 361 HB THR 46 HB THR 46 -14.064 -1.765 9.492 362 HG1 THR 46 HG1 THR 46 -12.399 -3.982 10.197 363 HG21 THR 46 HG21 THR 46 -14.676 -4.752 9.445 364 HG22 THR 46 HG22 THR 46 -15.756 -3.462 8.917 365 HG23 THR 46 HG23 THR 46 -15.314 -3.595 10.618 366 H ASP 47 HN ASP 47 -13.679 -0.686 6.857 367 HA ASP 47 HA ASP 47 -16.231 -1.368 5.655 368 HB2 ASP 47 HB2 ASP 47 -16.415 0.995 5.130 369 HB3 ASP 47 HB1 ASP 47 -15.802 0.833 6.771 370 H GLY 48 HN GLY 48 -13.023 -1.569 4.647 371 HA2 GLY 48 HA2 GLY 48 -12.490 -2.622 2.546 372 HA3 GLY 48 HA1 GLY 48 -13.783 -1.706 1.784 373 H ARG 49 HN ARG 49 -12.519 0.564 3.725 374 HA ARG 49 HA ARG 49 -11.071 1.955 1.741 375 HB2 ARG 49 HB2 ARG 49 -12.097 3.172 3.604 376 HB3 ARG 49 HB1 ARG 49 -11.083 2.332 4.773 377 HG2 ARG 49 HG2 ARG 49 -9.076 3.454 3.849 378 HG3 ARG 49 HG1 ARG 49 -10.082 4.276 2.655 379 HD2 ARG 49 HD2 ARG 49 -10.320 4.619 5.663 380 HD3 ARG 49 HD1 ARG 49 -9.467 5.721 4.579 381 HE ARG 49 HE ARG 49 -12.250 5.255 3.911 382 HH11 ARG 49 HH11 ARG 49 -11.145 8.677 5.738 383 HH12 ARG 49 HH12 ARG 49 -10.029 7.349 5.683 384 HH21 ARG 49 HH21 ARG 49 -13.229 8.473 4.797 385 HH22 ARG 49 HH22 ARG 49 -13.698 6.993 4.025 386 H VAL 50 HN VAL 50 -8.873 2.206 1.374 387 HA VAL 50 HA VAL 50 -6.985 0.561 2.954 388 HB VAL 50 HB VAL 50 -7.027 0.867 -0.089 389 HG11 VAL 50 HG11 VAL 50 -4.717 0.958 0.652 390 HG12 VAL 50 HG12 VAL 50 -5.024 -0.617 -0.080 391 HG13 VAL 50 HG13 VAL 50 -4.944 -0.461 1.677 392 HG21 VAL 50 HG21 VAL 50 -8.627 -0.800 0.755 393 HG22 VAL 50 HG22 VAL 50 -7.334 -1.607 1.645 394 HG23 VAL 50 HG23 VAL 50 -7.307 -1.578 -0.120 395 H GLU 51 HN GLU 51 -5.369 1.693 3.737 396 HA GLU 51 HA GLU 51 -4.207 3.923 2.170 397 HB2 GLU 51 HB2 GLU 51 -4.328 3.651 5.208 398 HB3 GLU 51 HB1 GLU 51 -3.370 4.859 4.351 399 HG2 GLU 51 HG2 GLU 51 -5.414 5.832 3.395 400 HG3 GLU 51 HG1 GLU 51 -6.390 4.612 4.211 401 H CYS 52 HN CYS 52 -2.053 3.698 1.769 402 HA CYS 52 HA CYS 52 -0.698 1.224 2.644 403 HB2 CYS 52 HB2 CYS 52 -0.871 1.624 0.227 404 HB3 CYS 52 HB1 CYS 52 -0.091 3.195 0.400 405 HG CYS 52 HG CYS 52 1.414 0.218 1.136 406 H ARG 53 HN ARG 53 1.164 1.307 3.942 407 HA ARG 53 HA ARG 53 1.570 3.600 5.553 408 HB2 ARG 53 HB2 ARG 53 2.096 1.263 6.318 409 HB3 ARG 53 HB1 ARG 53 3.494 1.248 5.247 410 HG2 ARG 53 HG2 ARG 53 4.251 3.379 6.562 411 HG3 ARG 53 HG1 ARG 53 3.063 2.878 7.762 412 HD2 ARG 53 HD2 ARG 53 5.479 1.305 6.822 413 HD3 ARG 53 HD1 ARG 53 5.276 2.073 8.396 414 HE ARG 53 HE ARG 53 4.177 -0.443 7.482 415 HH11 ARG 53 HH11 ARG 53 3.164 0.986 11.106 416 HH12 ARG 53 HH12 ARG 53 3.946 2.042 9.975 417 HH21 ARG 53 HH21 ARG 53 3.150 -1.784 8.948 418 HH22 ARG 53 HH22 ARG 53 2.710 -1.193 10.526 419 H GLU 54 HN GLU 54 3.593 2.220 2.952 420 HA GLU 54 HA GLU 54 5.659 4.205 3.178 421 HB2 GLU 54 HB2 GLU 54 6.010 1.842 2.354 422 HB3 GLU 54 HB1 GLU 54 5.174 2.287 0.873 423 HG2 GLU 54 HG2 GLU 54 7.591 2.308 0.544 424 HG3 GLU 54 HG1 GLU 54 6.934 3.932 0.361 425 H LEU 55 HN LEU 55 2.589 4.262 1.796 426 HA LEU 55 HA LEU 55 3.271 6.312 -0.202 427 HB2 LEU 55 HB2 LEU 55 1.998 4.129 -0.821 428 HB3 LEU 55 HB1 LEU 55 0.623 4.827 0.007 429 HG LEU 55 HG LEU 55 0.574 5.081 -2.490 430 HD11 LEU 55 HD11 LEU 55 -0.087 7.439 -2.585 431 HD12 LEU 55 HD12 LEU 55 0.640 7.720 -1.002 432 HD13 LEU 55 HD13 LEU 55 -0.741 6.634 -1.161 433 HD21 LEU 55 HD21 LEU 55 2.950 5.340 -2.899 434 HD22 LEU 55 HD22 LEU 55 2.964 6.890 -2.058 435 HD23 LEU 55 HD23 LEU 55 2.072 6.713 -3.568 436 H ARG 56 HN ARG 56 3.452 7.998 1.212 437 HA ARG 56 HA ARG 56 1.298 8.963 2.861 438 HB2 ARG 56 HB2 ARG 56 3.821 10.281 1.790 439 HB3 ARG 56 HB1 ARG 56 2.659 11.116 2.817 440 HG2 ARG 56 HG2 ARG 56 3.030 9.378 4.578 441 HG3 ARG 56 HG1 ARG 56 4.303 8.686 3.569 442 HD2 ARG 56 HD2 ARG 56 5.595 10.739 3.703 443 HD3 ARG 56 HD1 ARG 56 4.276 11.554 4.551 444 HE ARG 56 HE ARG 56 5.238 9.207 5.926 445 HH11 ARG 56 HH11 ARG 56 5.828 12.653 5.474 446 HH12 ARG 56 HH12 ARG 56 6.657 12.837 6.990 447 HH21 ARG 56 HH21 ARG 56 6.307 9.478 7.930 448 HH22 ARG 56 HH22 ARG 56 6.925 11.039 8.380 449 HA PRO 57 HA PRO 57 -1.127 11.270 -0.282 450 HB2 PRO 57 HB2 PRO 57 -1.198 13.531 1.706 451 HB3 PRO 57 HB1 PRO 57 -2.541 12.671 0.922 452 HG2 PRO 57 HG2 PRO 57 -1.992 12.240 3.487 453 HG3 PRO 57 HG1 PRO 57 -2.476 10.896 2.427 454 HD2 PRO 57 HD2 PRO 57 0.283 11.632 3.396 455 HD3 PRO 57 HD1 PRO 57 -0.479 10.028 3.250 456 H ASP 58 HN ASP 58 1.838 12.326 1.014 457 HA ASP 58 HA ASP 58 2.096 14.915 -0.209 458 HB2 ASP 58 HB2 ASP 58 4.235 13.169 1.103 459 HB3 ASP 58 HB1 ASP 58 4.340 14.898 0.797 460 H VAL 59 HN VAL 59 2.548 11.734 -1.295 461 HA VAL 59 HA VAL 59 4.714 11.900 -3.062 462 HB VAL 59 HB VAL 59 2.198 10.168 -3.180 463 HG11 VAL 59 HG11 VAL 59 3.511 8.605 -4.630 464 HG12 VAL 59 HG12 VAL 59 4.829 9.778 -4.699 465 HG13 VAL 59 HG13 VAL 59 3.265 10.166 -5.415 466 HG21 VAL 59 HG21 VAL 59 3.638 8.419 -2.191 467 HG22 VAL 59 HG22 VAL 59 3.487 9.825 -1.140 468 HG23 VAL 59 HG23 VAL 59 4.968 9.575 -2.069 469 H PHE 60 HN PHE 60 1.293 12.721 -3.515 470 HA PHE 60 HA PHE 60 1.991 14.260 -5.943 471 HB2 PHE 60 HB2 PHE 60 -0.550 12.588 -5.670 472 HB3 PHE 60 HB1 PHE 60 -0.137 13.625 -7.026 473 HD1 PHE 60 HD1 PHE 60 2.023 12.999 -8.367 474 HD2 PHE 60 HD2 PHE 60 0.013 10.314 -5.722 475 HE1 PHE 60 HE1 PHE 60 3.052 11.080 -9.517 476 HE2 PHE 60 HE2 PHE 60 1.029 8.418 -6.887 477 HZ PHE 60 HZ PHE 60 2.556 8.790 -8.771 478 H GLY 61 HN GLY 61 -0.837 13.557 -3.901 479 HA2 GLY 61 HA2 GLY 61 -1.226 15.714 -2.360 480 HA3 GLY 61 HA1 GLY 61 -1.758 16.318 -3.935 481 H ALA 62 HN ALA 62 -2.125 13.483 -1.814 482 HA ALA 62 HA ALA 62 -4.609 12.649 -3.056 483 HB1 ALA 62 HB1 ALA 62 -3.146 11.462 -0.671 484 HB2 ALA 62 HB2 ALA 62 -2.855 11.021 -2.351 485 HB3 ALA 62 HB3 ALA 62 -4.426 10.691 -1.613 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -6.507 -3.691 14.051 2 H2 MET 1 HT2 MET 1 -5.034 -4.523 14.110 3 H3 MET 1 HT3 MET 1 -6.481 -5.383 14.031 4 HA MET 1 HA MET 1 -6.933 -4.595 11.845 5 HB2 MET 1 HB2 MET 1 -5.405 -3.132 10.626 6 HB3 MET 1 HB1 MET 1 -5.839 -2.355 12.142 7 HG2 MET 1 HG2 MET 1 -3.218 -3.703 11.466 8 HG3 MET 1 HG1 MET 1 -3.505 -1.984 11.721 9 HE1 MET 1 HE1 MET 1 -3.803 -0.861 14.124 10 HE2 MET 1 HE2 MET 1 -4.020 -1.786 15.608 11 HE3 MET 1 HE3 MET 1 -5.267 -1.818 14.361 12 H LYS 2 HN LYS 2 -6.447 -6.077 10.263 13 HA LYS 2 HA LYS 2 -4.260 -7.957 10.809 14 HB2 LYS 2 HB2 LYS 2 -5.439 -9.479 9.262 15 HB3 LYS 2 HB1 LYS 2 -6.492 -8.933 10.560 16 HG2 LYS 2 HG2 LYS 2 -7.522 -7.289 8.988 17 HG3 LYS 2 HG1 LYS 2 -6.514 -7.939 7.695 18 HD2 LYS 2 HD2 LYS 2 -8.692 -8.944 7.500 19 HD3 LYS 2 HD1 LYS 2 -7.577 -10.188 8.067 20 HE2 LYS 2 HE2 LYS 2 -8.400 -9.827 10.388 21 HE3 LYS 2 HE1 LYS 2 -9.549 -8.635 9.779 22 HZ1 LYS 2 HZ1 LYS 2 -10.590 -10.363 8.457 23 HZ2 LYS 2 HZ2 LYS 2 -10.573 -10.798 10.088 24 HZ3 LYS 2 HZ3 LYS 2 -9.478 -11.507 9.021 25 H LYS 3 HN LYS 3 -2.406 -7.568 9.818 26 HA LYS 3 HA LYS 3 -2.185 -5.850 7.507 27 HB2 LYS 3 HB2 LYS 3 0.314 -6.338 7.736 28 HB3 LYS 3 HB1 LYS 3 -0.462 -5.510 9.071 29 HG2 LYS 3 HG2 LYS 3 0.988 -7.038 10.097 30 HG3 LYS 3 HG1 LYS 3 -0.599 -7.782 10.239 31 HD2 LYS 3 HD2 LYS 3 -0.032 -9.202 8.234 32 HD3 LYS 3 HD1 LYS 3 1.595 -8.521 8.270 33 HE2 LYS 3 HE2 LYS 3 1.941 -9.468 10.525 34 HE3 LYS 3 HE1 LYS 3 0.298 -10.116 10.511 35 HZ1 LYS 3 HZ1 LYS 3 1.958 -11.791 9.923 36 HZ2 LYS 3 HZ2 LYS 3 2.435 -10.868 8.589 37 HZ3 LYS 3 HZ3 LYS 3 0.876 -11.517 8.655 38 H ILE 4 HN ILE 4 -1.489 -6.380 5.492 39 HA ILE 4 HA ILE 4 -1.245 -9.224 4.718 40 HB ILE 4 HB ILE 4 -2.649 -7.051 3.102 41 HG12 ILE 4 HG12 ILE 4 -3.844 -9.372 4.677 42 HG13 ILE 4 HG11 ILE 4 -4.139 -7.652 4.917 43 HG21 ILE 4 HG21 ILE 4 -1.530 -8.707 1.659 44 HG22 ILE 4 HG22 ILE 4 -3.281 -8.784 1.492 45 HG23 ILE 4 HG23 ILE 4 -2.430 -10.010 2.442 46 HD11 ILE 4 HD11 ILE 4 -5.005 -9.320 2.576 47 HD12 ILE 4 HD12 ILE 4 -5.247 -7.576 2.716 48 HD13 ILE 4 HD13 ILE 4 -6.020 -8.674 3.861 49 HA PRO 5 HA PRO 5 2.512 -7.565 2.712 50 HB2 PRO 5 HB2 PRO 5 2.348 -10.025 0.989 51 HB3 PRO 5 HB1 PRO 5 3.640 -9.512 2.095 52 HG2 PRO 5 HG2 PRO 5 2.063 -11.592 2.698 53 HG3 PRO 5 HG1 PRO 5 2.621 -10.471 3.966 54 HD2 PRO 5 HD2 PRO 5 -0.049 -10.519 2.535 55 HD3 PRO 5 HD1 PRO 5 0.269 -10.362 4.274 56 H LEU 6 HN LEU 6 2.707 -6.247 0.891 57 HA LEU 6 HA LEU 6 0.510 -5.264 -0.429 58 HB2 LEU 6 HB2 LEU 6 2.633 -4.058 -0.280 59 HB3 LEU 6 HB1 LEU 6 3.412 -5.239 -1.315 60 HG LEU 6 HG LEU 6 1.900 -4.505 -3.197 61 HD11 LEU 6 HD11 LEU 6 0.059 -3.554 -1.918 62 HD12 LEU 6 HD12 LEU 6 0.722 -2.366 -3.034 63 HD13 LEU 6 HD13 LEU 6 1.111 -2.266 -1.315 64 HD21 LEU 6 HD21 LEU 6 3.137 -2.474 -3.730 65 HD22 LEU 6 HD22 LEU 6 4.211 -3.673 -3.014 66 HD23 LEU 6 HD23 LEU 6 3.644 -2.310 -2.048 67 H SER 7 HN SER 7 2.957 -7.428 -1.782 68 HA SER 7 HA SER 7 1.927 -7.849 -4.316 69 HB2 SER 7 HB2 SER 7 3.550 -9.785 -2.618 70 HB3 SER 7 HB1 SER 7 3.395 -9.827 -4.379 71 HG SER 7 HG SER 7 4.442 -7.828 -4.473 72 H LYS 8 HN LYS 8 1.332 -9.678 -1.300 73 HA LYS 8 HA LYS 8 -0.315 -11.698 -2.472 74 HB2 LYS 8 HB2 LYS 8 0.016 -10.823 0.422 75 HB3 LYS 8 HB1 LYS 8 -1.009 -12.175 -0.055 76 HG2 LYS 8 HG2 LYS 8 1.987 -11.963 -0.475 77 HG3 LYS 8 HG1 LYS 8 1.169 -12.958 0.731 78 HD2 LYS 8 HD2 LYS 8 1.006 -13.286 -2.290 79 HD3 LYS 8 HD1 LYS 8 1.920 -14.308 -1.184 80 HE2 LYS 8 HE2 LYS 8 -0.183 -15.064 -0.137 81 HE3 LYS 8 HE1 LYS 8 -1.106 -14.016 -1.218 82 HZ1 LYS 8 HZ1 LYS 8 0.581 -16.327 -2.028 83 HZ2 LYS 8 HZ2 LYS 8 -0.207 -15.284 -3.104 84 HZ3 LYS 8 HZ3 LYS 8 -1.109 -16.255 -2.053 85 H TYR 9 HN TYR 9 -1.041 -8.545 -1.100 86 HA TYR 9 HA TYR 9 -3.881 -8.849 -1.042 87 HB2 TYR 9 HB2 TYR 9 -2.733 -7.035 0.230 88 HB3 TYR 9 HB1 TYR 9 -2.245 -6.273 -1.274 89 HD1 TYR 9 HD1 TYR 9 -5.102 -6.931 0.999 90 HD2 TYR 9 HD2 TYR 9 -3.899 -5.055 -2.666 91 HE1 TYR 9 HE1 TYR 9 -7.224 -5.741 0.902 92 HE2 TYR 9 HE2 TYR 9 -6.041 -3.853 -2.736 93 HH TYR 9 HH TYR 9 -8.327 -4.127 -1.866 94 H LEU 10 HN LEU 10 -1.553 -7.714 -3.420 95 HA LEU 10 HA LEU 10 -3.441 -6.849 -5.385 96 HB2 LEU 10 HB2 LEU 10 -0.471 -7.441 -5.590 97 HB3 LEU 10 HB1 LEU 10 -1.425 -6.669 -6.852 98 HG LEU 10 HG LEU 10 -0.955 -5.522 -4.071 99 HD11 LEU 10 HD11 LEU 10 0.475 -3.866 -5.173 100 HD12 LEU 10 HD12 LEU 10 0.271 -4.701 -6.715 101 HD13 LEU 10 HD13 LEU 10 1.099 -5.503 -5.375 102 HD21 LEU 10 HD21 LEU 10 -3.116 -4.810 -4.938 103 HD22 LEU 10 HD22 LEU 10 -2.377 -4.308 -6.461 104 HD23 LEU 10 HD23 LEU 10 -1.988 -3.458 -4.964 105 H GLU 11 HN GLU 11 -1.887 -9.892 -4.679 106 HA GLU 11 HA GLU 11 -2.631 -11.169 -7.172 107 HB2 GLU 11 HB2 GLU 11 -1.566 -12.306 -4.551 108 HB3 GLU 11 HB1 GLU 11 -1.885 -13.280 -5.983 109 HG2 GLU 11 HG2 GLU 11 0.165 -11.062 -5.718 110 HG3 GLU 11 HG1 GLU 11 0.489 -12.788 -5.805 111 H GLU 12 HN GLU 12 -3.894 -11.004 -3.845 112 HA GLU 12 HA GLU 12 -5.797 -13.167 -4.466 113 HB2 GLU 12 HB2 GLU 12 -4.214 -13.293 -2.472 114 HB3 GLU 12 HB1 GLU 12 -5.156 -12.011 -1.723 115 HG2 GLU 12 HG2 GLU 12 -5.885 -14.110 -0.822 116 HG3 GLU 12 HG1 GLU 12 -7.175 -13.480 -1.843 117 H HIS 13 HN HIS 13 -5.833 -9.894 -2.931 118 HA HIS 13 HA HIS 13 -8.726 -10.139 -2.485 119 HB2 HIS 13 HB2 HIS 13 -6.675 -8.121 -1.496 120 HB3 HIS 13 HB1 HIS 13 -8.399 -8.002 -1.142 121 HD1 HIS 13 HD1 HIS 13 -9.087 -9.079 0.989 122 HD2 HIS 13 HD2 HIS 13 -5.560 -10.699 -0.494 123 HE1 HIS 13 HE1 HIS 13 -8.330 -10.735 2.712 124 HE2 HIS 13 HE2 HIS 13 -6.266 -11.786 1.742 125 H GLY 14 HN GLY 14 -6.488 -7.824 -4.048 126 HA2 GLY 14 HA2 GLY 14 -8.621 -6.859 -5.799 127 HA3 GLY 14 HA1 GLY 14 -7.908 -5.685 -4.694 128 H THR 15 HN THR 15 -7.721 -5.220 -7.392 129 HA THR 15 HA THR 15 -5.050 -6.023 -8.298 130 HB THR 15 HB THR 15 -5.626 -4.669 -10.341 131 HG1 THR 15 HG1 THR 15 -8.122 -4.156 -10.200 132 HG21 THR 15 HG21 THR 15 -7.828 -6.605 -9.549 133 HG22 THR 15 HG22 THR 15 -6.282 -7.056 -10.273 134 HG23 THR 15 HG23 THR 15 -7.444 -6.096 -11.193 135 H GLN 16 HN GLN 16 -3.810 -4.038 -9.312 136 HA GLN 16 HA GLN 16 -3.062 -2.259 -7.213 137 HB2 GLN 16 HB2 GLN 16 -2.311 -2.086 -10.166 138 HB3 GLN 16 HB1 GLN 16 -1.552 -1.188 -8.863 139 HG2 GLN 16 HG2 GLN 16 -0.053 -2.924 -9.371 140 HG3 GLN 16 HG1 GLN 16 -0.847 -3.435 -7.884 141 HE21 GLN 16 HE21 GLN 16 -2.236 -5.249 -7.958 142 HE22 GLN 16 HE22 GLN 16 -2.276 -6.327 -9.308 143 H SER 17 HN SER 17 -5.160 -2.076 -9.982 144 HA SER 17 HA SER 17 -5.724 0.706 -10.022 145 HB2 SER 17 HB2 SER 17 -7.591 -1.529 -10.895 146 HB3 SER 17 HB1 SER 17 -7.495 0.116 -11.534 147 HG SER 17 HG SER 17 -5.270 -0.543 -12.187 148 H ALA 18 HN ALA 18 -7.380 -2.106 -8.592 149 HA ALA 18 HA ALA 18 -9.519 -0.817 -7.305 150 HB1 ALA 18 HB1 ALA 18 -9.375 -3.269 -7.589 151 HB2 ALA 18 HB2 ALA 18 -9.661 -2.836 -5.903 152 HB3 ALA 18 HB3 ALA 18 -8.046 -3.326 -6.424 153 H LEU 19 HN LEU 19 -6.249 -1.591 -6.220 154 HA LEU 19 HA LEU 19 -6.632 -0.802 -3.515 155 HB2 LEU 19 HB2 LEU 19 -4.891 -2.433 -4.113 156 HB3 LEU 19 HB1 LEU 19 -4.047 -1.225 -5.070 157 HG LEU 19 HG LEU 19 -3.558 0.071 -3.002 158 HD11 LEU 19 HD11 LEU 19 -5.458 -0.578 -1.605 159 HD12 LEU 19 HD12 LEU 19 -3.935 -0.857 -0.771 160 HD13 LEU 19 HD13 LEU 19 -4.818 -2.219 -1.462 161 HD21 LEU 19 HD21 LEU 19 -1.858 -1.434 -2.057 162 HD22 LEU 19 HD22 LEU 19 -1.893 -1.523 -3.815 163 HD23 LEU 19 HD23 LEU 19 -2.623 -2.813 -2.857 164 H ALA 20 HN ALA 20 -5.278 0.815 -6.372 165 HA ALA 20 HA ALA 20 -4.404 3.206 -5.128 166 HB1 ALA 20 HB1 ALA 20 -4.328 4.160 -7.394 167 HB2 ALA 20 HB2 ALA 20 -5.257 2.790 -8.013 168 HB3 ALA 20 HB3 ALA 20 -3.639 2.533 -7.366 169 H ALA 21 HN ALA 21 -7.515 2.273 -6.570 170 HA ALA 21 HA ALA 21 -8.822 4.796 -6.257 171 HB1 ALA 21 HB1 ALA 21 -10.896 3.527 -6.691 172 HB2 ALA 21 HB2 ALA 21 -10.015 2.010 -6.492 173 HB3 ALA 21 HB3 ALA 21 -9.623 3.085 -7.832 174 H ALA 22 HN ALA 22 -8.344 1.993 -4.190 175 HA ALA 22 HA ALA 22 -10.224 2.615 -2.121 176 HB1 ALA 22 HB1 ALA 22 -7.738 0.866 -2.006 177 HB2 ALA 22 HB2 ALA 22 -9.346 0.333 -2.506 178 HB3 ALA 22 HB3 ALA 22 -9.067 0.860 -0.845 179 H LEU 23 HN LEU 23 -6.805 3.286 -2.644 180 HA LEU 23 HA LEU 23 -6.417 4.583 -0.064 181 HB2 LEU 23 HB2 LEU 23 -4.529 4.339 -2.434 182 HB3 LEU 23 HB1 LEU 23 -4.093 4.881 -0.821 183 HG LEU 23 HG LEU 23 -5.002 2.070 -1.540 184 HD11 LEU 23 HD11 LEU 23 -2.820 2.546 -2.501 185 HD12 LEU 23 HD12 LEU 23 -2.669 1.398 -1.174 186 HD13 LEU 23 HD13 LEU 23 -2.214 3.086 -0.932 187 HD21 LEU 23 HD21 LEU 23 -5.643 2.549 0.738 188 HD22 LEU 23 HD22 LEU 23 -4.033 3.176 1.112 189 HD23 LEU 23 HD23 LEU 23 -4.252 1.460 0.761 190 H GLY 24 HN GLY 24 -7.483 5.477 -3.192 191 HA2 GLY 24 HA2 GLY 24 -8.050 7.496 -4.150 192 HA3 GLY 24 HA1 GLY 24 -7.587 8.302 -2.657 193 H VAL 25 HN VAL 25 -5.307 6.203 -4.212 194 HA VAL 25 HA VAL 25 -3.567 8.490 -4.882 195 HB VAL 25 HB VAL 25 -1.662 7.101 -4.443 196 HG11 VAL 25 HG11 VAL 25 -3.757 6.595 -2.305 197 HG12 VAL 25 HG12 VAL 25 -2.684 7.992 -2.419 198 HG13 VAL 25 HG13 VAL 25 -2.021 6.394 -2.079 199 HG21 VAL 25 HG21 VAL 25 -2.377 4.988 -5.494 200 HG22 VAL 25 HG22 VAL 25 -3.521 4.697 -4.182 201 HG23 VAL 25 HG23 VAL 25 -1.786 4.687 -3.859 202 H ASN 26 HN ASN 26 -1.923 7.951 -6.625 203 HA ASN 26 HA ASN 26 -3.232 6.779 -8.987 204 HB2 ASN 26 HB2 ASN 26 -2.159 9.000 -9.192 205 HB3 ASN 26 HB1 ASN 26 -0.628 8.341 -8.639 206 HD21 ASN 26 HD21 ASN 26 0.216 9.284 -10.594 207 HD22 ASN 26 HD22 ASN 26 0.093 8.429 -12.090 208 H GLN 27 HN GLN 27 -2.340 5.056 -10.138 209 HA GLN 27 HA GLN 27 -1.196 2.934 -8.646 210 HB2 GLN 27 HB2 GLN 27 -1.521 3.244 -11.660 211 HB3 GLN 27 HB1 GLN 27 -1.037 1.750 -10.861 212 HG2 GLN 27 HG2 GLN 27 -3.232 1.722 -9.660 213 HG3 GLN 27 HG1 GLN 27 -3.720 3.152 -10.572 214 HE21 GLN 27 HE21 GLN 27 -4.109 2.938 -12.826 215 HE22 GLN 27 HE22 GLN 27 -4.370 1.399 -13.551 216 H SER 28 HN SER 28 0.328 5.499 -10.392 217 HA SER 28 HA SER 28 2.781 4.476 -11.160 218 HB2 SER 28 HB2 SER 28 2.251 7.226 -9.956 219 HB3 SER 28 HB1 SER 28 3.663 6.782 -10.918 220 HG SER 28 HG SER 28 1.617 6.066 -12.365 221 H ALA 29 HN ALA 29 1.868 5.828 -8.002 222 HA ALA 29 HA ALA 29 4.254 5.450 -6.558 223 HB1 ALA 29 HB1 ALA 29 2.370 6.812 -5.763 224 HB2 ALA 29 HB2 ALA 29 2.818 5.599 -4.570 225 HB3 ALA 29 HB3 ALA 29 1.380 5.359 -5.564 226 H ILE 30 HN ILE 30 1.357 3.334 -6.567 227 HA ILE 30 HA ILE 30 2.319 1.339 -4.860 228 HB ILE 30 HB ILE 30 0.219 1.085 -7.064 229 HG12 ILE 30 HG12 ILE 30 -0.036 1.739 -4.084 230 HG13 ILE 30 HG11 ILE 30 -0.306 2.855 -5.420 231 HG21 ILE 30 HG21 ILE 30 0.693 -0.764 -4.682 232 HG22 ILE 30 HG22 ILE 30 0.986 -1.162 -6.375 233 HG23 ILE 30 HG23 ILE 30 -0.659 -0.874 -5.815 234 HD11 ILE 30 HD11 ILE 30 -2.223 1.511 -6.128 235 HD12 ILE 30 HD12 ILE 30 -2.385 2.107 -4.478 236 HD13 ILE 30 HD13 ILE 30 -1.947 0.426 -4.764 237 H SER 31 HN SER 31 2.505 1.556 -8.404 238 HA SER 31 HA SER 31 3.491 -1.054 -8.962 239 HB2 SER 31 HB2 SER 31 2.437 0.393 -10.678 240 HB3 SER 31 HB1 SER 31 3.788 1.524 -10.596 241 HG SER 31 HG SER 31 3.922 -1.210 -11.376 242 H GLN 32 HN GLN 32 5.136 2.040 -8.285 243 HA GLN 32 HA GLN 32 7.815 1.114 -8.734 244 HB2 GLN 32 HB2 GLN 32 6.788 3.431 -7.033 245 HB3 GLN 32 HB1 GLN 32 8.485 3.148 -7.424 246 HG2 GLN 32 HG2 GLN 32 8.108 3.585 -9.760 247 HG3 GLN 32 HG1 GLN 32 6.359 3.591 -9.534 248 HE21 GLN 32 HE21 GLN 32 6.066 5.661 -10.327 249 HE22 GLN 32 HE22 GLN 32 6.598 7.081 -9.509 250 H MET 33 HN MET 33 5.640 1.087 -5.993 251 HA MET 33 HA MET 33 7.507 0.317 -3.952 252 HB2 MET 33 HB2 MET 33 4.495 -0.141 -3.998 253 HB3 MET 33 HB1 MET 33 5.531 -0.013 -2.579 254 HG2 MET 33 HG2 MET 33 5.904 2.397 -3.071 255 HG3 MET 33 HG1 MET 33 4.960 2.224 -4.522 256 HE1 MET 33 HE1 MET 33 4.937 1.775 -0.723 257 HE2 MET 33 HE2 MET 33 3.924 0.395 -1.173 258 HE3 MET 33 HE3 MET 33 3.217 1.771 -0.323 259 H VAL 34 HN VAL 34 5.454 -1.355 -6.242 260 HA VAL 34 HA VAL 34 5.801 -4.055 -5.348 261 HB VAL 34 HB VAL 34 4.844 -2.811 -7.975 262 HG11 VAL 34 HG11 VAL 34 4.780 -5.773 -7.280 263 HG12 VAL 34 HG12 VAL 34 5.761 -5.012 -8.535 264 HG13 VAL 34 HG13 VAL 34 4.007 -5.009 -8.678 265 HG21 VAL 34 HG21 VAL 34 3.296 -4.230 -5.771 266 HG22 VAL 34 HG22 VAL 34 2.614 -3.519 -7.238 267 HG23 VAL 34 HG23 VAL 34 3.369 -2.486 -6.030 268 H ARG 35 HN ARG 35 7.231 -2.111 -7.952 269 HA ARG 35 HA ARG 35 8.949 -4.179 -8.958 270 HB2 ARG 35 HB2 ARG 35 7.958 -2.412 -10.403 271 HB3 ARG 35 HB1 ARG 35 8.897 -1.188 -9.558 272 HG2 ARG 35 HG2 ARG 35 10.990 -2.226 -10.400 273 HG3 ARG 35 HG1 ARG 35 10.037 -3.440 -11.263 274 HD2 ARG 35 HD2 ARG 35 10.787 -1.597 -12.746 275 HD3 ARG 35 HD1 ARG 35 9.024 -1.694 -12.660 276 HE ARG 35 HE ARG 35 9.637 0.114 -10.736 277 HH11 ARG 35 HH11 ARG 35 10.462 -0.024 -14.158 278 HH12 ARG 35 HH12 ARG 35 10.552 1.700 -14.311 279 HH21 ARG 35 HH21 ARG 35 9.734 2.334 -10.968 280 HH22 ARG 35 HH22 ARG 35 10.136 3.042 -12.498 281 H ALA 36 HN ALA 36 9.213 -1.753 -6.497 282 HA ALA 36 HA ALA 36 12.040 -1.611 -6.202 283 HB1 ALA 36 HB1 ALA 36 10.529 -0.024 -5.079 284 HB2 ALA 36 HB2 ALA 36 11.574 -0.821 -3.906 285 HB3 ALA 36 HB3 ALA 36 9.888 -1.322 -4.069 286 H GLY 37 HN GLY 37 9.738 -4.082 -5.508 287 HA2 GLY 37 HA2 GLY 37 9.930 -6.244 -4.774 288 HA3 GLY 37 HA1 GLY 37 11.679 -6.026 -4.741 289 H ARG 38 HN ARG 38 9.606 -3.826 -3.031 290 HA ARG 38 HA ARG 38 10.584 -4.843 -0.436 291 HB2 ARG 38 HB2 ARG 38 11.088 -2.443 -1.080 292 HB3 ARG 38 HB1 ARG 38 9.360 -2.117 -1.108 293 HG2 ARG 38 HG2 ARG 38 10.422 -1.332 0.983 294 HG3 ARG 38 HG1 ARG 38 9.191 -2.560 1.292 295 HD2 ARG 38 HD2 ARG 38 10.945 -4.273 1.572 296 HD3 ARG 38 HD1 ARG 38 12.185 -3.083 1.183 297 HE ARG 38 HE ARG 38 12.056 -2.245 3.307 298 HH11 ARG 38 HH11 ARG 38 8.839 -4.323 4.530 299 HH12 ARG 38 HH12 ARG 38 9.268 -4.347 2.854 300 HH21 ARG 38 HH21 ARG 38 10.090 -3.151 6.024 301 HH22 ARG 38 HH22 ARG 38 11.490 -2.267 5.502 302 H CYS 39 HN CYS 39 9.168 -5.971 0.753 303 HA CYS 39 HA CYS 39 6.403 -6.242 0.091 304 HB2 CYS 39 HB2 CYS 39 7.711 -8.080 1.106 305 HB3 CYS 39 HB1 CYS 39 7.897 -7.145 2.584 306 HG CYS 39 HG CYS 39 5.284 -7.271 3.359 307 H ILE 40 HN ILE 40 4.918 -4.732 0.483 308 HA ILE 40 HA ILE 40 5.331 -2.761 2.643 309 HB ILE 40 HB ILE 40 3.444 -2.660 0.243 310 HG12 ILE 40 HG12 ILE 40 5.764 -2.571 -0.514 311 HG13 ILE 40 HG11 ILE 40 5.014 -0.997 -0.714 312 HG21 ILE 40 HG21 ILE 40 4.091 -0.497 2.255 313 HG22 ILE 40 HG22 ILE 40 2.555 -1.349 2.081 314 HG23 ILE 40 HG23 ILE 40 3.125 -0.293 0.792 315 HD11 ILE 40 HD11 ILE 40 6.176 -0.234 1.339 316 HD12 ILE 40 HD12 ILE 40 7.268 -0.736 0.049 317 HD13 ILE 40 HD13 ILE 40 6.982 -1.804 1.422 318 H ASP 41 HN ASP 41 3.739 -2.333 4.154 319 HA ASP 41 HA ASP 41 2.013 -4.603 4.805 320 HB2 ASP 41 HB2 ASP 41 2.771 -2.112 6.396 321 HB3 ASP 41 HB1 ASP 41 1.791 -3.440 7.013 322 H ILE 42 HN ILE 42 0.093 -4.571 3.840 323 HA ILE 42 HA ILE 42 -1.564 -2.164 3.665 324 HB ILE 42 HB ILE 42 -2.111 -5.038 2.754 325 HG12 ILE 42 HG12 ILE 42 -0.294 -3.918 1.446 326 HG13 ILE 42 HG11 ILE 42 -1.714 -4.230 0.457 327 HG21 ILE 42 HG21 ILE 42 -4.214 -3.893 3.246 328 HG22 ILE 42 HG22 ILE 42 -4.039 -4.085 1.503 329 HG23 ILE 42 HG23 ILE 42 -3.738 -2.514 2.251 330 HD11 ILE 42 HD11 ILE 42 -2.351 -1.872 0.606 331 HD12 ILE 42 HD12 ILE 42 -0.714 -2.043 -0.025 332 HD13 ILE 42 HD13 ILE 42 -0.964 -1.550 1.649 333 H GLU 43 HN GLU 43 -2.237 -1.665 5.705 334 HA GLU 43 HA GLU 43 -3.278 -3.514 7.604 335 HB2 GLU 43 HB2 GLU 43 -3.371 -0.493 7.321 336 HB3 GLU 43 HB1 GLU 43 -4.336 -1.295 8.551 337 HG2 GLU 43 HG2 GLU 43 -2.175 -0.422 9.404 338 HG3 GLU 43 HG1 GLU 43 -2.408 -2.143 9.669 339 H LEU 44 HN LEU 44 -4.808 -4.807 6.681 340 HA LEU 44 HA LEU 44 -7.206 -3.707 5.444 341 HB2 LEU 44 HB2 LEU 44 -6.333 -5.877 4.653 342 HB3 LEU 44 HB1 LEU 44 -6.477 -6.551 6.267 343 HG LEU 44 HG LEU 44 -8.984 -6.261 6.109 344 HD11 LEU 44 HD11 LEU 44 -9.094 -4.503 4.407 345 HD12 LEU 44 HD12 LEU 44 -10.025 -5.916 3.918 346 HD13 LEU 44 HD13 LEU 44 -8.436 -5.616 3.195 347 HD21 LEU 44 HD21 LEU 44 -7.892 -8.434 5.658 348 HD22 LEU 44 HD22 LEU 44 -7.770 -8.014 3.947 349 HD23 LEU 44 HD23 LEU 44 -9.354 -8.220 4.700 350 H TYR 45 HN TYR 45 -8.905 -3.090 6.551 351 HA TYR 45 HA TYR 45 -9.216 -3.651 9.428 352 HB2 TYR 45 HB2 TYR 45 -10.313 -1.428 7.644 353 HB3 TYR 45 HB1 TYR 45 -10.721 -1.610 9.348 354 HD1 TYR 45 HD1 TYR 45 -8.975 -1.205 11.103 355 HD2 TYR 45 HD2 TYR 45 -8.110 -0.542 6.969 356 HE1 TYR 45 HE1 TYR 45 -6.954 0.042 11.727 357 HE2 TYR 45 HE2 TYR 45 -6.091 0.717 7.600 358 HH TYR 45 HH TYR 45 -5.075 1.840 9.414 359 H THR 46 HN THR 46 -11.435 -4.009 10.175 360 HA THR 46 HA THR 46 -12.414 -6.339 8.875 361 HB THR 46 HB THR 46 -13.657 -4.842 11.221 362 HG1 THR 46 HG1 THR 46 -12.157 -6.897 11.998 363 HG21 THR 46 HG21 THR 46 -13.779 -7.804 10.486 364 HG22 THR 46 HG22 THR 46 -15.116 -6.661 10.350 365 HG23 THR 46 HG23 THR 46 -14.470 -7.067 11.937 366 H ASP 47 HN ASP 47 -13.478 -3.020 8.812 367 HA ASP 47 HA ASP 47 -16.149 -3.490 7.805 368 HB2 ASP 47 HB2 ASP 47 -16.363 -1.103 7.653 369 HB3 ASP 47 HB1 ASP 47 -15.440 -1.413 9.114 370 H GLY 48 HN GLY 48 -12.993 -3.384 6.464 371 HA2 GLY 48 HA2 GLY 48 -12.730 -4.472 4.297 372 HA3 GLY 48 HA1 GLY 48 -14.087 -3.521 3.715 373 H ARG 49 HN ARG 49 -12.532 -1.318 5.546 374 HA ARG 49 HA ARG 49 -11.264 -0.005 3.337 375 HB2 ARG 49 HB2 ARG 49 -11.494 0.566 6.294 376 HB3 ARG 49 HB1 ARG 49 -10.285 1.442 5.367 377 HG2 ARG 49 HG2 ARG 49 -12.095 2.247 3.833 378 HG3 ARG 49 HG1 ARG 49 -13.281 1.452 4.874 379 HD2 ARG 49 HD2 ARG 49 -12.561 2.874 6.768 380 HD3 ARG 49 HD1 ARG 49 -11.368 3.647 5.729 381 HE ARG 49 HE ARG 49 -13.056 4.793 4.600 382 HH11 ARG 49 HH11 ARG 49 -14.439 2.767 7.121 383 HH12 ARG 49 HH12 ARG 49 -15.954 3.603 7.116 384 HH21 ARG 49 HH21 ARG 49 -16.295 5.369 5.705 385 HH22 ARG 49 HH22 ARG 49 -15.039 5.887 4.626 386 H VAL 50 HN VAL 50 -9.106 0.208 2.818 387 HA VAL 50 HA VAL 50 -7.128 -1.408 4.328 388 HB VAL 50 HB VAL 50 -5.908 -1.796 2.197 389 HG11 VAL 50 HG11 VAL 50 -7.418 -3.511 3.027 390 HG12 VAL 50 HG12 VAL 50 -7.448 -3.481 1.266 391 HG13 VAL 50 HG13 VAL 50 -8.780 -2.771 2.179 392 HG21 VAL 50 HG21 VAL 50 -7.004 -1.366 0.010 393 HG22 VAL 50 HG22 VAL 50 -6.678 0.131 0.881 394 HG23 VAL 50 HG23 VAL 50 -8.317 -0.518 0.836 395 H GLU 51 HN GLU 51 -4.982 -0.663 4.264 396 HA GLU 51 HA GLU 51 -4.541 2.179 3.643 397 HB2 GLU 51 HB2 GLU 51 -5.286 2.096 5.974 398 HB3 GLU 51 HB1 GLU 51 -4.126 0.830 6.345 399 HG2 GLU 51 HG2 GLU 51 -2.273 2.399 5.994 400 HG3 GLU 51 HG1 GLU 51 -3.416 3.673 5.560 401 H CYS 52 HN CYS 52 -2.723 2.269 2.497 402 HA CYS 52 HA CYS 52 -0.562 0.319 2.875 403 HB2 CYS 52 HB2 CYS 52 -1.302 0.965 0.557 404 HB3 CYS 52 HB1 CYS 52 -0.763 2.612 0.873 405 HG CYS 52 HG CYS 52 1.208 1.647 -0.664 406 H ARG 53 HN ARG 53 0.496 0.848 4.737 407 HA ARG 53 HA ARG 53 0.513 3.480 5.841 408 HB2 ARG 53 HB2 ARG 53 0.509 1.393 7.174 409 HB3 ARG 53 HB1 ARG 53 2.156 1.043 6.660 410 HG2 ARG 53 HG2 ARG 53 3.056 2.812 7.936 411 HG3 ARG 53 HG1 ARG 53 1.494 3.619 8.107 412 HD2 ARG 53 HD2 ARG 53 2.277 0.975 9.394 413 HD3 ARG 53 HD1 ARG 53 2.165 2.537 10.218 414 HE ARG 53 HE ARG 53 -0.209 1.349 8.883 415 HH11 ARG 53 HH11 ARG 53 -0.147 2.419 12.766 416 HH12 ARG 53 HH12 ARG 53 1.325 2.478 11.854 417 HH21 ARG 53 HH21 ARG 53 -2.125 1.343 10.068 418 HH22 ARG 53 HH22 ARG 53 -2.115 1.781 11.749 419 H GLU 54 HN GLU 54 2.854 1.657 3.969 420 HA GLU 54 HA GLU 54 5.040 3.508 4.253 421 HB2 GLU 54 HB2 GLU 54 5.290 1.064 3.706 422 HB3 GLU 54 HB1 GLU 54 4.638 1.393 2.109 423 HG2 GLU 54 HG2 GLU 54 7.067 1.222 2.030 424 HG3 GLU 54 HG1 GLU 54 6.551 2.854 1.611 425 H LEU 55 HN LEU 55 2.118 3.710 2.547 426 HA LEU 55 HA LEU 55 3.215 5.609 0.577 427 HB2 LEU 55 HB2 LEU 55 1.888 3.496 -0.203 428 HB3 LEU 55 HB1 LEU 55 0.459 4.336 0.370 429 HG LEU 55 HG LEU 55 0.881 4.534 -2.123 430 HD11 LEU 55 HD11 LEU 55 0.394 6.925 -2.337 431 HD12 LEU 55 HD12 LEU 55 0.918 7.209 -0.676 432 HD13 LEU 55 HD13 LEU 55 -0.516 6.231 -0.997 433 HD21 LEU 55 HD21 LEU 55 2.668 6.057 -2.913 434 HD22 LEU 55 HD22 LEU 55 3.324 4.637 -2.097 435 HD23 LEU 55 HD23 LEU 55 3.276 6.192 -1.262 436 H ARG 56 HN ARG 56 3.291 7.308 1.925 437 HA ARG 56 HA ARG 56 0.886 8.482 3.091 438 HB2 ARG 56 HB2 ARG 56 3.696 9.631 2.831 439 HB3 ARG 56 HB1 ARG 56 2.373 10.316 3.769 440 HG2 ARG 56 HG2 ARG 56 2.442 8.043 5.064 441 HG3 ARG 56 HG1 ARG 56 4.048 7.883 4.345 442 HD2 ARG 56 HD2 ARG 56 3.050 10.070 6.188 443 HD3 ARG 56 HD1 ARG 56 4.330 8.898 6.503 444 HE ARG 56 HE ARG 56 4.699 10.816 4.309 445 HH11 ARG 56 HH11 ARG 56 5.645 9.836 7.552 446 HH12 ARG 56 HH12 ARG 56 7.055 10.842 7.568 447 HH21 ARG 56 HH21 ARG 56 6.495 12.189 4.362 448 HH22 ARG 56 HH22 ARG 56 7.546 12.190 5.743 449 HA PRO 57 HA PRO 57 -0.215 11.132 -0.444 450 HB2 PRO 57 HB2 PRO 57 -0.684 13.581 0.794 451 HB3 PRO 57 HB1 PRO 57 -1.817 12.217 0.815 452 HG2 PRO 57 HG2 PRO 57 0.188 13.017 2.910 453 HG3 PRO 57 HG1 PRO 57 -1.524 12.565 3.104 454 HD2 PRO 57 HD2 PRO 57 0.380 10.779 3.613 455 HD3 PRO 57 HD1 PRO 57 -1.101 10.280 2.762 456 H ASP 58 HN ASP 58 2.671 11.610 1.266 457 HA ASP 58 HA ASP 58 3.733 13.996 0.225 458 HB2 ASP 58 HB2 ASP 58 5.170 11.446 1.110 459 HB3 ASP 58 HB1 ASP 58 5.967 12.985 0.795 460 H VAL 59 HN VAL 59 3.488 10.766 -1.050 461 HA VAL 59 HA VAL 59 5.552 10.825 -2.983 462 HB VAL 59 HB VAL 59 4.399 8.794 -1.958 463 HG11 VAL 59 HG11 VAL 59 2.430 7.877 -3.109 464 HG12 VAL 59 HG12 VAL 59 2.321 9.330 -4.101 465 HG13 VAL 59 HG13 VAL 59 2.084 9.432 -2.355 466 HG21 VAL 59 HG21 VAL 59 6.044 8.548 -3.776 467 HG22 VAL 59 HG22 VAL 59 4.776 8.764 -4.984 468 HG23 VAL 59 HG23 VAL 59 4.762 7.347 -3.930 469 H PHE 60 HN PHE 60 2.413 12.151 -2.992 470 HA PHE 60 HA PHE 60 1.807 12.258 -5.771 471 HB2 PHE 60 HB2 PHE 60 0.871 13.859 -3.365 472 HB3 PHE 60 HB1 PHE 60 0.228 14.123 -4.982 473 HD1 PHE 60 HD1 PHE 60 -1.892 13.241 -5.258 474 HD2 PHE 60 HD2 PHE 60 0.872 11.069 -2.798 475 HE1 PHE 60 HE1 PHE 60 -3.605 11.544 -4.821 476 HE2 PHE 60 HE2 PHE 60 -0.868 9.393 -2.363 477 HZ PHE 60 HZ PHE 60 -3.100 9.631 -3.368 478 H GLY 61 HN GLY 61 2.833 14.834 -3.498 479 HA2 GLY 61 HA2 GLY 61 3.798 16.526 -5.715 480 HA3 GLY 61 HA1 GLY 61 3.480 17.036 -4.059 481 H ALA 62 HN ALA 62 5.290 14.186 -5.003 482 HA ALA 62 HA ALA 62 7.612 15.002 -3.447 483 HB1 ALA 62 HB1 ALA 62 6.969 12.401 -4.901 484 HB2 ALA 62 HB2 ALA 62 6.673 12.731 -3.195 485 HB3 ALA 62 HB3 ALA 62 8.332 12.657 -3.801 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -6.236 -4.391 12.168 2 H2 MET 1 HT2 MET 1 -7.698 -5.201 11.923 3 H3 MET 1 HT3 MET 1 -7.669 -3.513 11.995 4 HA MET 1 HA MET 1 -7.910 -4.324 9.746 5 HB2 MET 1 HB2 MET 1 -6.236 -2.873 8.740 6 HB3 MET 1 HB1 MET 1 -6.766 -2.139 10.247 7 HG2 MET 1 HG2 MET 1 -4.170 -3.642 9.803 8 HG3 MET 1 HG1 MET 1 -4.354 -1.897 9.982 9 HE1 MET 1 HE1 MET 1 -2.449 -1.901 11.857 10 HE2 MET 1 HE2 MET 1 -2.271 -3.645 11.653 11 HE3 MET 1 HE3 MET 1 -2.477 -2.962 13.266 12 H LYS 2 HN LYS 2 -7.015 -5.445 7.956 13 HA LYS 2 HA LYS 2 -5.093 -7.595 8.531 14 HB2 LYS 2 HB2 LYS 2 -6.959 -7.116 6.162 15 HB3 LYS 2 HB1 LYS 2 -5.871 -8.498 6.309 16 HG2 LYS 2 HG2 LYS 2 -7.078 -9.250 8.311 17 HG3 LYS 2 HG1 LYS 2 -8.150 -7.848 8.207 18 HD2 LYS 2 HD2 LYS 2 -9.024 -8.658 6.055 19 HD3 LYS 2 HD1 LYS 2 -7.911 -10.030 6.091 20 HE2 LYS 2 HE2 LYS 2 -10.216 -10.659 6.785 21 HE3 LYS 2 HE1 LYS 2 -9.033 -10.928 8.067 22 HZ1 LYS 2 HZ1 LYS 2 -10.864 -8.598 7.866 23 HZ2 LYS 2 HZ2 LYS 2 -9.736 -8.858 9.099 24 HZ3 LYS 2 HZ3 LYS 2 -11.046 -9.912 8.915 25 H LYS 3 HN LYS 3 -3.008 -7.046 8.150 26 HA LYS 3 HA LYS 3 -2.244 -5.024 6.191 27 HB2 LYS 3 HB2 LYS 3 -0.450 -6.890 7.802 28 HB3 LYS 3 HB1 LYS 3 0.049 -5.434 6.939 29 HG2 LYS 3 HG2 LYS 3 -1.233 -4.042 8.520 30 HG3 LYS 3 HG1 LYS 3 -1.788 -5.493 9.366 31 HD2 LYS 3 HD2 LYS 3 1.101 -4.542 9.130 32 HD3 LYS 3 HD1 LYS 3 0.090 -4.448 10.576 33 HE2 LYS 3 HE2 LYS 3 -0.006 -6.905 10.691 34 HE3 LYS 3 HE1 LYS 3 0.932 -7.033 9.205 35 HZ1 LYS 3 HZ1 LYS 3 1.894 -5.852 11.745 36 HZ2 LYS 3 HZ2 LYS 3 2.787 -6.007 10.318 37 HZ3 LYS 3 HZ3 LYS 3 2.279 -7.388 11.152 38 H ILE 4 HN ILE 4 -2.538 -5.703 4.141 39 HA ILE 4 HA ILE 4 -1.739 -8.415 3.298 40 HB ILE 4 HB ILE 4 -3.179 -6.286 1.670 41 HG12 ILE 4 HG12 ILE 4 -4.337 -8.571 3.316 42 HG13 ILE 4 HG11 ILE 4 -4.600 -6.844 3.576 43 HG21 ILE 4 HG21 ILE 4 -2.053 -8.006 0.295 44 HG22 ILE 4 HG22 ILE 4 -3.809 -8.093 0.140 45 HG23 ILE 4 HG23 ILE 4 -2.951 -9.265 1.148 46 HD11 ILE 4 HD11 ILE 4 -6.514 -7.848 2.546 47 HD12 ILE 4 HD12 ILE 4 -5.525 -8.475 1.232 48 HD13 ILE 4 HD13 ILE 4 -5.751 -6.733 1.413 49 HA PRO 5 HA PRO 5 1.964 -6.610 1.320 50 HB2 PRO 5 HB2 PRO 5 1.999 -9.075 -0.359 51 HB3 PRO 5 HB1 PRO 5 3.203 -8.513 0.816 52 HG2 PRO 5 HG2 PRO 5 1.678 -10.660 1.343 53 HG3 PRO 5 HG1 PRO 5 2.140 -9.515 2.623 54 HD2 PRO 5 HD2 PRO 5 -0.474 -9.664 1.108 55 HD3 PRO 5 HD1 PRO 5 -0.220 -9.503 2.860 56 H LEU 6 HN LEU 6 2.247 -5.427 -0.522 57 HA LEU 6 HA LEU 6 0.172 -4.355 -1.899 58 HB2 LEU 6 HB2 LEU 6 2.423 -3.386 -1.769 59 HB3 LEU 6 HB1 LEU 6 3.045 -4.621 -2.850 60 HG LEU 6 HG LEU 6 1.612 -3.687 -4.697 61 HD11 LEU 6 HD11 LEU 6 -0.171 -2.670 -3.381 62 HD12 LEU 6 HD12 LEU 6 0.568 -1.472 -4.441 63 HD13 LEU 6 HD13 LEU 6 0.957 -1.485 -2.718 64 HD21 LEU 6 HD21 LEU 6 3.953 -3.025 -4.498 65 HD22 LEU 6 HD22 LEU 6 3.511 -1.702 -3.418 66 HD23 LEU 6 HD23 LEU 6 2.979 -1.685 -5.100 67 H SER 7 HN SER 7 2.438 -6.704 -3.434 68 HA SER 7 HA SER 7 1.015 -6.995 -5.843 69 HB2 SER 7 HB2 SER 7 3.370 -7.585 -5.718 70 HB3 SER 7 HB1 SER 7 3.052 -8.831 -4.512 71 HG SER 7 HG SER 7 1.642 -9.079 -6.890 72 H LYS 8 HN LYS 8 0.874 -8.846 -2.817 73 HA LYS 8 HA LYS 8 -0.705 -11.024 -3.694 74 HB2 LYS 8 HB2 LYS 8 0.635 -10.363 -1.352 75 HB3 LYS 8 HB1 LYS 8 -1.030 -10.198 -0.832 76 HG2 LYS 8 HG2 LYS 8 0.176 -12.685 -2.076 77 HG3 LYS 8 HG1 LYS 8 -0.019 -12.413 -0.342 78 HD2 LYS 8 HD2 LYS 8 -2.510 -12.282 -0.698 79 HD3 LYS 8 HD1 LYS 8 -2.259 -12.676 -2.404 80 HE2 LYS 8 HE2 LYS 8 -1.228 -14.828 -1.734 81 HE3 LYS 8 HE1 LYS 8 -1.505 -14.430 -0.038 82 HZ1 LYS 8 HZ1 LYS 8 -3.890 -14.379 -0.520 83 HZ2 LYS 8 HZ2 LYS 8 -3.196 -15.890 -0.827 84 HZ3 LYS 8 HZ3 LYS 8 -3.576 -14.860 -2.111 85 H TYR 9 HN TYR 9 -1.490 -7.836 -2.458 86 HA TYR 9 HA TYR 9 -4.322 -8.107 -2.290 87 HB2 TYR 9 HB2 TYR 9 -3.142 -6.329 -1.049 88 HB3 TYR 9 HB1 TYR 9 -2.553 -5.629 -2.545 89 HD1 TYR 9 HD1 TYR 9 -5.582 -6.175 -0.461 90 HD2 TYR 9 HD2 TYR 9 -3.965 -4.143 -3.876 91 HE1 TYR 9 HE1 TYR 9 -7.583 -4.814 -0.605 92 HE2 TYR 9 HE2 TYR 9 -5.990 -2.774 -4.015 93 HH TYR 9 HH TYR 9 -8.320 -2.866 -3.328 94 H LEU 10 HN LEU 10 -2.052 -6.857 -4.727 95 HA LEU 10 HA LEU 10 -3.950 -5.803 -6.525 96 HB2 LEU 10 HB2 LEU 10 -1.065 -6.633 -6.979 97 HB3 LEU 10 HB1 LEU 10 -2.023 -5.735 -8.148 98 HG LEU 10 HG LEU 10 -1.184 -4.758 -5.395 99 HD11 LEU 10 HD11 LEU 10 0.181 -3.118 -6.593 100 HD12 LEU 10 HD12 LEU 10 -0.274 -3.856 -8.132 101 HD13 LEU 10 HD13 LEU 10 0.668 -4.774 -6.954 102 HD21 LEU 10 HD21 LEU 10 -3.386 -3.859 -5.886 103 HD22 LEU 10 HD22 LEU 10 -2.850 -3.314 -7.478 104 HD23 LEU 10 HD23 LEU 10 -2.177 -2.583 -6.017 105 H GLU 11 HN GLU 11 -2.849 -9.048 -6.059 106 HA GLU 11 HA GLU 11 -3.875 -10.020 -8.620 107 HB2 GLU 11 HB2 GLU 11 -2.686 -11.554 -6.276 108 HB3 GLU 11 HB1 GLU 11 -3.085 -12.235 -7.849 109 HG2 GLU 11 HG2 GLU 11 -0.926 -10.176 -7.269 110 HG3 GLU 11 HG1 GLU 11 -0.674 -11.879 -7.640 111 H GLU 12 HN GLU 12 -4.709 -10.164 -5.143 112 HA GLU 12 HA GLU 12 -6.775 -12.176 -5.714 113 HB2 GLU 12 HB2 GLU 12 -5.008 -12.790 -4.115 114 HB3 GLU 12 HB1 GLU 12 -5.455 -11.428 -3.092 115 HG2 GLU 12 HG2 GLU 12 -7.630 -12.440 -2.623 116 HG3 GLU 12 HG1 GLU 12 -7.292 -13.754 -3.752 117 H HIS 13 HN HIS 13 -6.415 -9.083 -3.945 118 HA HIS 13 HA HIS 13 -9.224 -9.258 -3.064 119 HB2 HIS 13 HB2 HIS 13 -6.920 -7.507 -2.143 120 HB3 HIS 13 HB1 HIS 13 -8.563 -7.328 -1.540 121 HD1 HIS 13 HD1 HIS 13 -9.231 -8.763 0.362 122 HD2 HIS 13 HD2 HIS 13 -5.755 -10.113 -1.464 123 HE1 HIS 13 HE1 HIS 13 -8.381 -10.611 1.825 124 HE2 HIS 13 HE2 HIS 13 -6.415 -11.555 0.563 125 H GLY 14 HN GLY 14 -7.045 -6.933 -4.657 126 HA2 GLY 14 HA2 GLY 14 -9.296 -5.708 -6.088 127 HA3 GLY 14 HA1 GLY 14 -8.398 -4.662 -4.990 128 H THR 15 HN THR 15 -8.507 -4.079 -7.662 129 HA THR 15 HA THR 15 -6.016 -4.980 -8.929 130 HB THR 15 HB THR 15 -6.807 -3.578 -10.858 131 HG1 THR 15 HG1 THR 15 -9.144 -2.914 -10.581 132 HG21 THR 15 HG21 THR 15 -8.896 -5.535 -9.819 133 HG22 THR 15 HG22 THR 15 -7.468 -5.954 -10.769 134 HG23 THR 15 HG23 THR 15 -8.746 -4.975 -11.489 135 H GLN 16 HN GLN 16 -4.849 -3.053 -10.120 136 HA GLN 16 HA GLN 16 -3.733 -1.293 -8.157 137 HB2 GLN 16 HB2 GLN 16 -3.411 -1.150 -11.198 138 HB3 GLN 16 HB1 GLN 16 -2.428 -0.290 -10.020 139 HG2 GLN 16 HG2 GLN 16 -1.111 -2.119 -10.791 140 HG3 GLN 16 HG1 GLN 16 -1.622 -2.521 -9.160 141 HE21 GLN 16 HE21 GLN 16 -3.107 -4.247 -8.869 142 HE22 GLN 16 HE22 GLN 16 -3.457 -5.385 -10.118 143 H SER 17 HN SER 17 -6.050 -1.063 -10.760 144 HA SER 17 HA SER 17 -6.715 1.645 -10.759 145 HB2 SER 17 HB2 SER 17 -8.585 -0.710 -11.244 146 HB3 SER 17 HB1 SER 17 -8.766 0.936 -11.867 147 HG SER 17 HG SER 17 -6.394 0.112 -12.618 148 H ALA 18 HN ALA 18 -8.079 -1.088 -8.907 149 HA ALA 18 HA ALA 18 -10.134 0.266 -7.532 150 HB1 ALA 18 HB1 ALA 18 -10.016 -2.204 -7.756 151 HB2 ALA 18 HB2 ALA 18 -10.211 -1.702 -6.075 152 HB3 ALA 18 HB3 ALA 18 -8.628 -2.227 -6.660 153 H LEU 19 HN LEU 19 -6.785 -0.419 -6.752 154 HA LEU 19 HA LEU 19 -6.878 0.346 -4.021 155 HB2 LEU 19 HB2 LEU 19 -5.224 -1.235 -4.875 156 HB3 LEU 19 HB1 LEU 19 -4.544 -0.012 -5.933 157 HG LEU 19 HG LEU 19 -3.641 1.224 -4.013 158 HD11 LEU 19 HD11 LEU 19 -5.376 0.818 -2.351 159 HD12 LEU 19 HD12 LEU 19 -3.794 0.388 -1.709 160 HD13 LEU 19 HD13 LEU 19 -4.906 -0.882 -2.234 161 HD21 LEU 19 HD21 LEU 19 -1.974 -0.388 -3.246 162 HD22 LEU 19 HD22 LEU 19 -2.276 -0.573 -4.971 163 HD23 LEU 19 HD23 LEU 19 -2.970 -1.726 -3.827 164 H ALA 20 HN ALA 20 -5.558 1.934 -6.940 165 HA ALA 20 HA ALA 20 -4.880 4.450 -5.830 166 HB1 ALA 20 HB1 ALA 20 -4.850 5.214 -8.174 167 HB2 ALA 20 HB2 ALA 20 -5.703 3.753 -8.682 168 HB3 ALA 20 HB3 ALA 20 -4.072 3.638 -8.017 169 H ALA 21 HN ALA 21 -7.952 3.212 -7.141 170 HA ALA 21 HA ALA 21 -9.362 5.687 -7.199 171 HB1 ALA 21 HB1 ALA 21 -11.387 4.309 -7.461 172 HB2 ALA 21 HB2 ALA 21 -10.469 2.862 -7.031 173 HB3 ALA 21 HB3 ALA 21 -10.090 3.739 -8.515 174 H ALA 22 HN ALA 22 -8.869 3.217 -4.735 175 HA ALA 22 HA ALA 22 -10.707 4.202 -2.786 176 HB1 ALA 22 HB1 ALA 22 -9.500 2.744 -1.217 177 HB2 ALA 22 HB2 ALA 22 -8.199 2.531 -2.392 178 HB3 ALA 22 HB3 ALA 22 -9.812 1.898 -2.737 179 H LEU 23 HN LEU 23 -7.241 4.648 -3.351 180 HA LEU 23 HA LEU 23 -6.760 6.379 -1.114 181 HB2 LEU 23 HB2 LEU 23 -5.062 5.917 -3.597 182 HB3 LEU 23 HB1 LEU 23 -4.512 6.640 -2.094 183 HG LEU 23 HG LEU 23 -5.395 3.743 -2.429 184 HD11 LEU 23 HD11 LEU 23 -3.286 4.154 -3.579 185 HD12 LEU 23 HD12 LEU 23 -3.043 3.138 -2.161 186 HD13 LEU 23 HD13 LEU 23 -2.591 4.846 -2.110 187 HD21 LEU 23 HD21 LEU 23 -5.887 4.476 -0.180 188 HD22 LEU 23 HD22 LEU 23 -4.269 5.164 0.007 189 HD23 LEU 23 HD23 LEU 23 -4.476 3.414 -0.135 190 H GLY 24 HN GLY 24 -8.025 6.854 -4.276 191 HA2 GLY 24 HA2 GLY 24 -8.823 8.721 -5.350 192 HA3 GLY 24 HA1 GLY 24 -8.317 9.712 -3.990 193 H VAL 25 HN VAL 25 -6.009 7.629 -5.494 194 HA VAL 25 HA VAL 25 -4.561 9.923 -6.685 195 HB VAL 25 HB VAL 25 -2.467 8.874 -6.084 196 HG11 VAL 25 HG11 VAL 25 -4.331 8.607 -3.702 197 HG12 VAL 25 HG12 VAL 25 -3.608 10.121 -4.267 198 HG13 VAL 25 HG13 VAL 25 -2.581 8.834 -3.638 199 HG21 VAL 25 HG21 VAL 25 -2.994 6.509 -6.537 200 HG22 VAL 25 HG22 VAL 25 -4.044 6.445 -5.122 201 HG23 VAL 25 HG23 VAL 25 -2.304 6.672 -4.919 202 H ASN 26 HN ASN 26 -2.819 8.991 -8.286 203 HA ASN 26 HA ASN 26 -4.193 7.541 -10.406 204 HB2 ASN 26 HB2 ASN 26 -2.925 9.612 -10.925 205 HB3 ASN 26 HB1 ASN 26 -1.451 8.873 -10.314 206 HD21 ASN 26 HD21 ASN 26 -0.488 9.334 -12.330 207 HD22 ASN 26 HD22 ASN 26 -0.773 8.333 -13.710 208 H GLN 27 HN GLN 27 -3.318 5.624 -11.400 209 HA GLN 27 HA GLN 27 -2.332 3.627 -9.660 210 HB2 GLN 27 HB2 GLN 27 -2.389 3.662 -12.704 211 HB3 GLN 27 HB1 GLN 27 -2.012 2.239 -11.733 212 HG2 GLN 27 HG2 GLN 27 -4.268 2.331 -10.732 213 HG3 GLN 27 HG1 GLN 27 -4.665 3.722 -11.742 214 HE21 GLN 27 HE21 GLN 27 -4.942 3.419 -13.978 215 HE22 GLN 27 HE22 GLN 27 -5.168 1.850 -14.667 216 H SER 28 HN SER 28 -0.686 5.912 -11.731 217 HA SER 28 HA SER 28 1.857 4.772 -11.895 218 HB2 SER 28 HB2 SER 28 1.076 7.713 -11.824 219 HB3 SER 28 HB1 SER 28 2.645 7.091 -12.342 220 HG SER 28 HG SER 28 1.737 6.217 -14.106 221 H ALA 29 HN ALA 29 0.265 6.354 -9.183 222 HA ALA 29 HA ALA 29 2.473 6.798 -7.470 223 HB1 ALA 29 HB1 ALA 29 0.186 7.625 -6.983 224 HB2 ALA 29 HB2 ALA 29 0.846 6.697 -5.639 225 HB3 ALA 29 HB3 ALA 29 -0.349 5.963 -6.709 226 H ILE 30 HN ILE 30 0.241 4.021 -7.606 227 HA ILE 30 HA ILE 30 1.645 2.336 -5.838 228 HB ILE 30 HB ILE 30 -0.386 1.710 -8.037 229 HG12 ILE 30 HG12 ILE 30 -1.839 1.137 -5.957 230 HG13 ILE 30 HG11 ILE 30 -0.596 1.938 -5.007 231 HG21 ILE 30 HG21 ILE 30 0.722 -0.277 -6.032 232 HG22 ILE 30 HG22 ILE 30 0.948 -0.322 -7.782 233 HG23 ILE 30 HG23 ILE 30 -0.660 -0.560 -7.095 234 HD11 ILE 30 HD11 ILE 30 -1.049 4.011 -6.204 235 HD12 ILE 30 HD12 ILE 30 -2.494 3.360 -5.422 236 HD13 ILE 30 HD13 ILE 30 -2.273 3.177 -7.164 237 H SER 31 HN SER 31 1.974 2.898 -9.300 238 HA SER 31 HA SER 31 3.622 0.683 -9.997 239 HB2 SER 31 HB2 SER 31 2.292 2.075 -11.621 240 HB3 SER 31 HB1 SER 31 3.406 3.411 -11.353 241 HG SER 31 HG SER 31 3.632 1.455 -13.075 242 H GLN 32 HN GLN 32 4.396 4.038 -8.940 243 HA GLN 32 HA GLN 32 7.241 3.798 -9.160 244 HB2 GLN 32 HB2 GLN 32 5.497 5.683 -7.511 245 HB3 GLN 32 HB1 GLN 32 7.252 5.814 -7.583 246 HG2 GLN 32 HG2 GLN 32 5.364 6.093 -9.945 247 HG3 GLN 32 HG1 GLN 32 6.133 7.419 -9.080 248 HE21 GLN 32 HE21 GLN 32 8.739 6.089 -8.837 249 HE22 GLN 32 HE22 GLN 32 9.428 6.116 -10.417 250 H MET 33 HN MET 33 4.885 2.983 -6.732 251 HA MET 33 HA MET 33 6.638 2.526 -4.498 252 HB2 MET 33 HB2 MET 33 3.781 1.636 -5.034 253 HB3 MET 33 HB1 MET 33 4.591 1.600 -3.470 254 HG2 MET 33 HG2 MET 33 4.679 4.279 -4.721 255 HG3 MET 33 HG1 MET 33 3.039 3.719 -4.438 256 HE1 MET 33 HE1 MET 33 3.320 1.917 -2.032 257 HE2 MET 33 HE2 MET 33 2.064 3.170 -2.061 258 HE3 MET 33 HE3 MET 33 3.109 2.989 -0.642 259 H VAL 34 HN VAL 34 5.237 0.567 -7.060 260 HA VAL 34 HA VAL 34 6.199 -2.005 -6.282 261 HB VAL 34 HB VAL 34 5.175 -0.857 -8.919 262 HG11 VAL 34 HG11 VAL 34 6.010 -3.749 -8.506 263 HG12 VAL 34 HG12 VAL 34 6.832 -2.578 -9.538 264 HG13 VAL 34 HG13 VAL 34 5.193 -3.097 -9.934 265 HG21 VAL 34 HG21 VAL 34 3.233 -2.349 -8.543 266 HG22 VAL 34 HG22 VAL 34 3.482 -1.276 -7.161 267 HG23 VAL 34 HG23 VAL 34 3.993 -2.960 -7.069 268 H ARG 35 HN ARG 35 7.383 0.594 -8.369 269 HA ARG 35 HA ARG 35 9.567 -0.816 -9.543 270 HB2 ARG 35 HB2 ARG 35 8.215 1.334 -10.349 271 HB3 ARG 35 HB1 ARG 35 9.435 2.211 -9.449 272 HG2 ARG 35 HG2 ARG 35 10.462 0.205 -11.416 273 HG3 ARG 35 HG1 ARG 35 9.624 1.591 -12.100 274 HD2 ARG 35 HD2 ARG 35 11.916 2.188 -12.100 275 HD3 ARG 35 HD1 ARG 35 11.214 3.055 -10.736 276 HE ARG 35 HE ARG 35 12.276 0.595 -9.850 277 HH11 ARG 35 HH11 ARG 35 14.942 3.582 -10.228 278 HH12 ARG 35 HH12 ARG 35 13.443 3.677 -11.092 279 HH21 ARG 35 HH21 ARG 35 15.378 1.801 -8.851 280 HH22 ARG 35 HH22 ARG 35 14.202 0.539 -8.668 281 H ALA 36 HN ALA 36 9.199 1.325 -6.773 282 HA ALA 36 HA ALA 36 11.883 1.792 -6.089 283 HB1 ALA 36 HB1 ALA 36 10.006 3.051 -5.115 284 HB2 ALA 36 HB2 ALA 36 11.007 2.344 -3.844 285 HB3 ALA 36 HB3 ALA 36 9.459 1.604 -4.267 286 H GLY 37 HN GLY 37 9.889 -1.053 -5.752 287 HA2 GLY 37 HA2 GLY 37 10.415 -3.215 -5.190 288 HA3 GLY 37 HA1 GLY 37 12.089 -2.725 -4.967 289 H ARG 38 HN ARG 38 9.742 -0.953 -3.231 290 HA ARG 38 HA ARG 38 10.576 -2.116 -0.661 291 HB2 ARG 38 HB2 ARG 38 10.641 0.412 -1.170 292 HB3 ARG 38 HB1 ARG 38 8.889 0.381 -1.201 293 HG2 ARG 38 HG2 ARG 38 10.490 -0.426 1.254 294 HG3 ARG 38 HG1 ARG 38 10.027 1.243 0.940 295 HD2 ARG 38 HD2 ARG 38 7.605 0.398 0.869 296 HD3 ARG 38 HD1 ARG 38 8.213 -1.121 1.528 297 HE ARG 38 HE ARG 38 9.070 1.066 3.125 298 HH11 ARG 38 HH11 ARG 38 5.447 -0.468 4.010 299 HH12 ARG 38 HH12 ARG 38 6.150 -0.815 2.464 300 HH21 ARG 38 HH21 ARG 38 6.524 0.855 5.490 301 HH22 ARG 38 HH22 ARG 38 8.069 1.546 5.107 302 H CYS 39 HN CYS 39 9.222 -3.544 0.335 303 HA CYS 39 HA CYS 39 6.755 -4.428 -0.768 304 HB2 CYS 39 HB2 CYS 39 8.052 -5.991 0.536 305 HB3 CYS 39 HB1 CYS 39 8.089 -4.912 1.927 306 HG CYS 39 HG CYS 39 5.555 -5.355 2.763 307 H ILE 40 HN ILE 40 4.866 -3.332 -0.675 308 HA ILE 40 HA ILE 40 4.462 -1.239 1.366 309 HB ILE 40 HB ILE 40 2.921 -1.698 -1.225 310 HG12 ILE 40 HG12 ILE 40 5.215 -1.072 -1.786 311 HG13 ILE 40 HG11 ILE 40 4.130 0.263 -2.138 312 HG21 ILE 40 HG21 ILE 40 2.804 0.634 0.681 313 HG22 ILE 40 HG22 ILE 40 1.553 -0.586 0.451 314 HG23 ILE 40 HG23 ILE 40 1.955 0.523 -0.861 315 HD11 ILE 40 HD11 ILE 40 6.194 1.033 -1.192 316 HD12 ILE 40 HD12 ILE 40 5.951 0.035 0.240 317 HD13 ILE 40 HD13 ILE 40 4.858 1.383 -0.097 318 H ASP 41 HN ASP 41 2.994 -1.534 2.949 319 HA ASP 41 HA ASP 41 1.298 -3.912 2.998 320 HB2 ASP 41 HB2 ASP 41 1.798 -1.733 5.079 321 HB3 ASP 41 HB1 ASP 41 0.689 -3.083 5.321 322 H ILE 42 HN ILE 42 -0.600 -3.775 1.999 323 HA ILE 42 HA ILE 42 -2.167 -1.328 1.929 324 HB ILE 42 HB ILE 42 -2.903 -4.096 0.872 325 HG12 ILE 42 HG12 ILE 42 -0.942 -3.329 -0.355 326 HG13 ILE 42 HG11 ILE 42 -2.331 -3.070 -1.402 327 HG21 ILE 42 HG21 ILE 42 -4.885 -2.700 1.299 328 HG22 ILE 42 HG22 ILE 42 -4.638 -2.880 -0.440 329 HG23 ILE 42 HG23 ILE 42 -4.180 -1.378 0.365 330 HD11 ILE 42 HD11 ILE 42 -2.315 -0.673 -0.746 331 HD12 ILE 42 HD12 ILE 42 -0.842 -1.206 -1.552 332 HD13 ILE 42 HD13 ILE 42 -0.848 -0.981 0.194 333 H GLU 43 HN GLU 43 -2.942 -0.838 3.835 334 HA GLU 43 HA GLU 43 -3.729 -2.696 5.861 335 HB2 GLU 43 HB2 GLU 43 -2.672 -0.589 6.455 336 HB3 GLU 43 HB1 GLU 43 -3.924 0.336 5.633 337 HG2 GLU 43 HG2 GLU 43 -5.559 -0.280 7.294 338 HG3 GLU 43 HG1 GLU 43 -4.437 -1.417 8.043 339 H LEU 44 HN LEU 44 -5.396 -3.886 5.221 340 HA LEU 44 HA LEU 44 -7.766 -2.868 3.905 341 HB2 LEU 44 HB2 LEU 44 -6.822 -5.023 3.214 342 HB3 LEU 44 HB1 LEU 44 -6.954 -5.640 4.851 343 HG LEU 44 HG LEU 44 -9.493 -5.438 4.636 344 HD11 LEU 44 HD11 LEU 44 -9.613 -3.812 2.823 345 HD12 LEU 44 HD12 LEU 44 -10.467 -5.290 2.385 346 HD13 LEU 44 HD13 LEU 44 -8.865 -4.963 1.706 347 HD21 LEU 44 HD21 LEU 44 -8.274 -7.583 4.369 348 HD22 LEU 44 HD22 LEU 44 -8.195 -7.292 2.623 349 HD23 LEU 44 HD23 LEU 44 -9.760 -7.502 3.423 350 H TYR 45 HN TYR 45 -9.344 -1.994 5.093 351 HA TYR 45 HA TYR 45 -9.895 -2.647 7.862 352 HB2 TYR 45 HB2 TYR 45 -11.311 -0.831 5.869 353 HB3 TYR 45 HB1 TYR 45 -11.758 -0.973 7.563 354 HD1 TYR 45 HD1 TYR 45 -10.383 0.079 9.317 355 HD2 TYR 45 HD2 TYR 45 -9.211 0.348 5.209 356 HE1 TYR 45 HE1 TYR 45 -8.798 1.870 9.880 357 HE2 TYR 45 HE2 TYR 45 -7.637 2.135 5.782 358 HH TYR 45 HH TYR 45 -7.135 3.703 7.425 359 H THR 46 HN THR 46 -12.126 -3.307 8.505 360 HA THR 46 HA THR 46 -12.675 -5.800 7.160 361 HB THR 46 HB THR 46 -12.478 -5.638 9.651 362 HG1 THR 46 HG1 THR 46 -14.973 -6.611 8.655 363 HG21 THR 46 HG21 THR 46 -14.358 -4.788 10.998 364 HG22 THR 46 HG22 THR 46 -15.200 -4.272 9.536 365 HG23 THR 46 HG23 THR 46 -13.689 -3.489 10.005 366 H ASP 47 HN ASP 47 -13.966 -2.723 6.734 367 HA ASP 47 HA ASP 47 -16.637 -3.624 5.882 368 HB2 ASP 47 HB2 ASP 47 -17.147 -1.280 5.525 369 HB3 ASP 47 HB1 ASP 47 -16.326 -1.417 7.079 370 H GLY 48 HN GLY 48 -13.484 -3.118 4.583 371 HA2 GLY 48 HA2 GLY 48 -13.022 -4.085 2.392 372 HA3 GLY 48 HA1 GLY 48 -14.496 -3.352 1.792 373 H ARG 49 HN ARG 49 -13.372 -0.964 3.686 374 HA ARG 49 HA ARG 49 -12.113 0.599 1.664 375 HB2 ARG 49 HB2 ARG 49 -13.221 1.656 3.602 376 HB3 ARG 49 HB1 ARG 49 -12.089 0.877 4.701 377 HG2 ARG 49 HG2 ARG 49 -10.231 2.218 3.649 378 HG3 ARG 49 HG1 ARG 49 -11.447 3.069 2.692 379 HD2 ARG 49 HD2 ARG 49 -12.454 4.007 4.692 380 HD3 ARG 49 HD1 ARG 49 -11.431 3.000 5.730 381 HE ARG 49 HE ARG 49 -9.888 4.661 3.977 382 HH11 ARG 49 HH11 ARG 49 -10.711 6.106 7.640 383 HH12 ARG 49 HH12 ARG 49 -11.655 4.782 7.034 384 HH21 ARG 49 HH21 ARG 49 -8.654 6.324 4.808 385 HH22 ARG 49 HH22 ARG 49 -9.002 6.981 6.376 386 H VAL 50 HN VAL 50 -9.893 0.943 1.241 387 HA VAL 50 HA VAL 50 -7.916 -0.503 2.912 388 HB VAL 50 HB VAL 50 -6.499 -0.881 0.886 389 HG11 VAL 50 HG11 VAL 50 -7.908 -2.689 1.735 390 HG12 VAL 50 HG12 VAL 50 -7.789 -2.773 -0.020 391 HG13 VAL 50 HG13 VAL 50 -9.255 -2.145 0.730 392 HG21 VAL 50 HG21 VAL 50 -8.925 0.052 -0.710 393 HG22 VAL 50 HG22 VAL 50 -7.476 -0.696 -1.389 394 HG23 VAL 50 HG23 VAL 50 -7.368 0.880 -0.607 395 H GLU 51 HN GLU 51 -5.972 0.491 3.270 396 HA GLU 51 HA GLU 51 -5.582 3.275 2.383 397 HB2 GLU 51 HB2 GLU 51 -6.615 3.264 4.657 398 HB3 GLU 51 HB1 GLU 51 -5.300 2.254 5.247 399 HG2 GLU 51 HG2 GLU 51 -3.687 4.053 4.850 400 HG3 GLU 51 HG1 GLU 51 -4.946 5.058 4.129 401 H CYS 52 HN CYS 52 -3.645 3.391 1.481 402 HA CYS 52 HA CYS 52 -1.431 1.650 2.315 403 HB2 CYS 52 HB2 CYS 52 -1.746 1.822 -0.112 404 HB3 CYS 52 HB1 CYS 52 -1.663 3.581 -0.024 405 HG CYS 52 HG CYS 52 0.984 1.945 1.233 406 H ARG 53 HN ARG 53 -0.632 2.452 4.197 407 HA ARG 53 HA ARG 53 -0.686 5.187 4.977 408 HB2 ARG 53 HB2 ARG 53 1.076 2.989 6.131 409 HB3 ARG 53 HB1 ARG 53 0.612 4.498 6.923 410 HG2 ARG 53 HG2 ARG 53 -1.766 3.739 6.885 411 HG3 ARG 53 HG1 ARG 53 -1.238 2.205 6.185 412 HD2 ARG 53 HD2 ARG 53 -1.533 1.874 8.554 413 HD3 ARG 53 HD1 ARG 53 0.200 1.861 8.219 414 HE ARG 53 HE ARG 53 0.450 3.805 9.411 415 HH11 ARG 53 HH11 ARG 53 -2.981 3.210 8.935 416 HH12 ARG 53 HH12 ARG 53 -3.472 4.456 10.036 417 HH21 ARG 53 HH21 ARG 53 -1.904 5.731 11.128 418 HH22 ARG 53 HH22 ARG 53 -0.211 5.454 10.859 419 H GLU 54 HN GLU 54 1.641 3.226 3.325 420 HA GLU 54 HA GLU 54 3.963 4.781 3.299 421 HB2 GLU 54 HB2 GLU 54 2.720 2.925 1.247 422 HB3 GLU 54 HB1 GLU 54 4.288 3.666 0.987 423 HG2 GLU 54 HG2 GLU 54 4.442 1.353 1.748 424 HG3 GLU 54 HG1 GLU 54 5.227 2.489 2.817 425 H LEU 55 HN LEU 55 0.988 5.034 1.449 426 HA LEU 55 HA LEU 55 2.057 6.682 -0.635 427 HB2 LEU 55 HB2 LEU 55 0.091 4.922 -0.748 428 HB3 LEU 55 HB1 LEU 55 -0.906 6.245 -0.192 429 HG LEU 55 HG LEU 55 -1.025 5.954 -2.650 430 HD11 LEU 55 HD11 LEU 55 -0.693 8.241 -3.372 431 HD12 LEU 55 HD12 LEU 55 0.311 8.577 -1.959 432 HD13 LEU 55 HD13 LEU 55 -1.403 8.207 -1.758 433 HD21 LEU 55 HD21 LEU 55 0.916 6.469 -4.083 434 HD22 LEU 55 HD22 LEU 55 1.187 5.048 -3.079 435 HD23 LEU 55 HD23 LEU 55 1.942 6.588 -2.652 436 H ARG 56 HN ARG 56 2.824 8.419 0.516 437 HA ARG 56 HA ARG 56 0.920 10.430 1.470 438 HB2 ARG 56 HB2 ARG 56 3.949 10.515 1.124 439 HB3 ARG 56 HB1 ARG 56 2.972 11.835 1.774 440 HG2 ARG 56 HG2 ARG 56 2.240 10.331 3.635 441 HG3 ARG 56 HG1 ARG 56 3.303 9.071 3.001 442 HD2 ARG 56 HD2 ARG 56 5.240 10.562 3.357 443 HD3 ARG 56 HD1 ARG 56 4.157 11.792 4.014 444 HE ARG 56 HE ARG 56 3.578 9.964 5.720 445 HH11 ARG 56 HH11 ARG 56 6.800 10.331 4.350 446 HH12 ARG 56 HH12 ARG 56 7.592 9.652 5.736 447 HH21 ARG 56 HH21 ARG 56 6.364 8.978 7.545 448 HH22 ARG 56 HH22 ARG 56 4.637 9.135 7.541 449 HA PRO 57 HA PRO 57 0.463 12.328 -2.648 450 HB2 PRO 57 HB2 PRO 57 0.450 15.043 -1.932 451 HB3 PRO 57 HB1 PRO 57 -0.960 13.966 -1.836 452 HG2 PRO 57 HG2 PRO 57 0.950 14.772 0.341 453 HG3 PRO 57 HG1 PRO 57 -0.824 14.639 0.390 454 HD2 PRO 57 HD2 PRO 57 0.710 12.705 1.439 455 HD3 PRO 57 HD1 PRO 57 -0.782 12.294 0.561 456 H ASP 58 HN ASP 58 3.198 12.813 -0.658 457 HA ASP 58 HA ASP 58 4.735 14.647 -2.217 458 HB2 ASP 58 HB2 ASP 58 4.972 14.202 0.272 459 HB3 ASP 58 HB1 ASP 58 5.710 12.656 -0.126 460 H VAL 59 HN VAL 59 4.018 11.333 -2.561 461 HA VAL 59 HA VAL 59 6.288 10.084 -3.512 462 HB VAL 59 HB VAL 59 3.338 9.636 -4.098 463 HG11 VAL 59 HG11 VAL 59 5.616 7.854 -5.084 464 HG12 VAL 59 HG12 VAL 59 4.499 8.762 -6.103 465 HG13 VAL 59 HG13 VAL 59 3.905 7.419 -5.124 466 HG21 VAL 59 HG21 VAL 59 3.660 7.636 -2.643 467 HG22 VAL 59 HG22 VAL 59 4.111 9.127 -1.811 468 HG23 VAL 59 HG23 VAL 59 5.363 8.061 -2.451 469 H PHE 60 HN PHE 60 3.860 11.842 -5.509 470 HA PHE 60 HA PHE 60 5.872 12.838 -7.293 471 HB2 PHE 60 HB2 PHE 60 5.318 11.744 -9.353 472 HB3 PHE 60 HB1 PHE 60 5.516 10.456 -8.176 473 HD1 PHE 60 HD1 PHE 60 3.085 10.004 -6.863 474 HD2 PHE 60 HD2 PHE 60 3.597 11.354 -10.888 475 HE1 PHE 60 HE1 PHE 60 0.857 9.155 -7.450 476 HE2 PHE 60 HE2 PHE 60 1.362 10.494 -11.455 477 HZ PHE 60 HZ PHE 60 -0.007 9.398 -9.733 478 H GLY 61 HN GLY 61 3.561 13.708 -5.572 479 HA2 GLY 61 HA2 GLY 61 1.863 15.296 -5.669 480 HA3 GLY 61 HA1 GLY 61 1.980 15.316 -7.431 481 H ALA 62 HN ALA 62 1.417 12.752 -5.027 482 HA ALA 62 HA ALA 62 -0.470 11.368 -6.705 483 HB1 ALA 62 HB1 ALA 62 1.151 10.151 -5.306 484 HB2 ALA 62 HB2 ALA 62 -0.505 9.705 -4.894 485 HB3 ALA 62 HB3 ALA 62 0.397 10.800 -3.844 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -8.670 -6.996 12.651 2 H2 MET 1 HT2 MET 1 -7.448 -7.816 13.483 3 H3 MET 1 HT3 MET 1 -7.948 -8.364 11.967 4 HA MET 1 HA MET 1 -7.115 -6.390 10.919 5 HB2 MET 1 HB2 MET 1 -6.247 -5.671 13.755 6 HB3 MET 1 HB1 MET 1 -5.693 -4.828 12.313 7 HG2 MET 1 HG2 MET 1 -7.944 -4.065 11.839 8 HG3 MET 1 HG1 MET 1 -8.586 -5.023 13.172 9 HE1 MET 1 HE1 MET 1 -5.963 -1.240 13.737 10 HE2 MET 1 HE2 MET 1 -6.500 -1.828 12.161 11 HE3 MET 1 HE3 MET 1 -5.297 -2.734 13.081 12 H LYS 2 HN LYS 2 -5.943 -7.971 9.864 13 HA LYS 2 HA LYS 2 -3.389 -8.832 11.053 14 HB2 LYS 2 HB2 LYS 2 -3.562 -10.925 9.845 15 HB3 LYS 2 HB1 LYS 2 -5.034 -10.668 10.753 16 HG2 LYS 2 HG2 LYS 2 -5.941 -11.463 8.797 17 HG3 LYS 2 HG1 LYS 2 -5.960 -9.737 8.456 18 HD2 LYS 2 HD2 LYS 2 -5.157 -11.010 6.499 19 HD3 LYS 2 HD1 LYS 2 -3.886 -9.960 7.128 20 HE2 LYS 2 HE2 LYS 2 -2.898 -11.913 8.322 21 HE3 LYS 2 HE1 LYS 2 -4.128 -12.954 7.597 22 HZ1 LYS 2 HZ1 LYS 2 -2.163 -11.345 6.056 23 HZ2 LYS 2 HZ2 LYS 2 -3.240 -12.491 5.432 24 HZ3 LYS 2 HZ3 LYS 2 -1.965 -12.980 6.427 25 H LYS 3 HN LYS 3 -1.680 -9.231 9.454 26 HA LYS 3 HA LYS 3 -1.594 -7.041 7.466 27 HB2 LYS 3 HB2 LYS 3 0.640 -8.535 8.885 28 HB3 LYS 3 HB1 LYS 3 0.859 -7.197 7.764 29 HG2 LYS 3 HG2 LYS 3 -0.228 -5.656 9.322 30 HG3 LYS 3 HG1 LYS 3 -0.592 -6.990 10.422 31 HD2 LYS 3 HD2 LYS 3 2.195 -6.034 9.655 32 HD3 LYS 3 HD1 LYS 3 1.378 -5.684 11.180 33 HE2 LYS 3 HE2 LYS 3 1.416 -8.042 11.792 34 HE3 LYS 3 HE1 LYS 3 2.076 -8.483 10.215 35 HZ1 LYS 3 HZ1 LYS 3 3.434 -6.818 12.259 36 HZ2 LYS 3 HZ2 LYS 3 4.072 -7.219 10.749 37 HZ3 LYS 3 HZ3 LYS 3 3.793 -8.430 11.901 38 H ILE 4 HN ILE 4 -0.713 -7.397 5.408 39 HA ILE 4 HA ILE 4 -0.305 -10.190 4.512 40 HB ILE 4 HB ILE 4 -1.924 -8.045 3.092 41 HG12 ILE 4 HG12 ILE 4 -2.762 -10.663 4.396 42 HG13 ILE 4 HG11 ILE 4 -3.298 -9.038 4.811 43 HG21 ILE 4 HG21 ILE 4 -1.336 -10.837 2.081 44 HG22 ILE 4 HG22 ILE 4 -0.637 -9.346 1.453 45 HG23 ILE 4 HG23 ILE 4 -2.366 -9.634 1.292 46 HD11 ILE 4 HD11 ILE 4 -5.065 -10.081 3.680 47 HD12 ILE 4 HD12 ILE 4 -4.001 -10.666 2.401 48 HD13 ILE 4 HD13 ILE 4 -4.359 -8.941 2.525 49 HA PRO 5 HA PRO 5 3.371 -8.389 2.439 50 HB2 PRO 5 HB2 PRO 5 3.162 -10.768 0.617 51 HB3 PRO 5 HB1 PRO 5 4.491 -10.298 1.698 52 HG2 PRO 5 HG2 PRO 5 2.940 -12.414 2.259 53 HG3 PRO 5 HG1 PRO 5 3.558 -11.351 3.547 54 HD2 PRO 5 HD2 PRO 5 0.816 -11.365 2.276 55 HD3 PRO 5 HD1 PRO 5 1.243 -11.255 3.993 56 H LEU 6 HN LEU 6 3.558 -7.047 0.626 57 HA LEU 6 HA LEU 6 1.323 -5.987 -0.570 58 HB2 LEU 6 HB2 LEU 6 3.455 -4.809 -0.429 59 HB3 LEU 6 HB1 LEU 6 4.194 -5.948 -1.539 60 HG LEU 6 HG LEU 6 2.667 -5.125 -3.353 61 HD11 LEU 6 HD11 LEU 6 0.818 -4.268 -2.031 62 HD12 LEU 6 HD12 LEU 6 1.456 -3.006 -3.078 63 HD13 LEU 6 HD13 LEU 6 1.845 -2.997 -1.356 64 HD21 LEU 6 HD21 LEU 6 4.960 -4.258 -3.170 65 HD22 LEU 6 HD22 LEU 6 4.394 -2.958 -2.120 66 HD23 LEU 6 HD23 LEU 6 3.856 -3.038 -3.799 67 H SER 7 HN SER 7 3.684 -8.175 -2.111 68 HA SER 7 HA SER 7 2.539 -8.302 -4.665 69 HB2 SER 7 HB2 SER 7 4.189 -10.461 -3.289 70 HB3 SER 7 HB1 SER 7 4.020 -10.211 -5.025 71 HG SER 7 HG SER 7 4.941 -8.010 -4.471 72 H LYS 8 HN LYS 8 2.119 -10.422 -1.835 73 HA LYS 8 HA LYS 8 0.431 -12.346 -3.063 74 HB2 LYS 8 HB2 LYS 8 1.756 -12.697 -0.946 75 HB3 LYS 8 HB1 LYS 8 0.619 -11.665 -0.090 76 HG2 LYS 8 HG2 LYS 8 0.137 -14.032 0.313 77 HG3 LYS 8 HG1 LYS 8 -1.199 -13.263 -0.547 78 HD2 LYS 8 HD2 LYS 8 -0.370 -14.234 -2.679 79 HD3 LYS 8 HD1 LYS 8 0.958 -15.004 -1.805 80 HE2 LYS 8 HE2 LYS 8 -0.655 -16.357 -0.530 81 HE3 LYS 8 HE1 LYS 8 -1.997 -15.565 -1.363 82 HZ1 LYS 8 HZ1 LYS 8 0.111 -17.195 -2.678 83 HZ2 LYS 8 HZ2 LYS 8 -1.217 -16.483 -3.443 84 HZ3 LYS 8 HZ3 LYS 8 -1.454 -17.728 -2.324 85 H TYR 9 HN TYR 9 -0.178 -9.331 -1.370 86 HA TYR 9 HA TYR 9 -2.989 -9.494 -1.080 87 HB2 TYR 9 HB2 TYR 9 -1.695 -7.855 0.194 88 HB3 TYR 9 HB1 TYR 9 -1.139 -7.084 -1.272 89 HD1 TYR 9 HD1 TYR 9 -4.032 -7.574 0.953 90 HD2 TYR 9 HD2 TYR 9 -2.576 -5.492 -2.492 91 HE1 TYR 9 HE1 TYR 9 -5.989 -6.107 1.010 92 HE2 TYR 9 HE2 TYR 9 -4.549 -4.023 -2.427 93 HH TYR 9 HH TYR 9 -6.609 -3.784 0.172 94 H LEU 10 HN LEU 10 -0.904 -8.146 -3.620 95 HA LEU 10 HA LEU 10 -2.834 -6.928 -5.237 96 HB2 LEU 10 HB2 LEU 10 -0.161 -8.117 -6.043 97 HB3 LEU 10 HB1 LEU 10 -1.114 -7.032 -7.043 98 HG LEU 10 HG LEU 10 0.096 -6.281 -4.353 99 HD11 LEU 10 HD11 LEU 10 1.089 -5.562 -7.124 100 HD12 LEU 10 HD12 LEU 10 1.869 -6.659 -5.983 101 HD13 LEU 10 HD13 LEU 10 1.736 -4.946 -5.597 102 HD21 LEU 10 HD21 LEU 10 -1.286 -4.531 -6.407 103 HD22 LEU 10 HD22 LEU 10 -0.470 -3.955 -4.953 104 HD23 LEU 10 HD23 LEU 10 -1.908 -4.968 -4.812 105 H GLU 11 HN GLU 11 -1.731 -10.215 -5.064 106 HA GLU 11 HA GLU 11 -3.078 -11.166 -7.444 107 HB2 GLU 11 HB2 GLU 11 -1.724 -12.659 -5.157 108 HB3 GLU 11 HB1 GLU 11 -2.254 -13.390 -6.673 109 HG2 GLU 11 HG2 GLU 11 -0.622 -12.098 -7.934 110 HG3 GLU 11 HG1 GLU 11 -0.173 -11.185 -6.492 111 H GLU 12 HN GLU 12 -3.596 -11.393 -3.909 112 HA GLU 12 HA GLU 12 -5.683 -13.409 -4.297 113 HB2 GLU 12 HB2 GLU 12 -3.845 -13.818 -2.692 114 HB3 GLU 12 HB1 GLU 12 -4.361 -12.438 -1.733 115 HG2 GLU 12 HG2 GLU 12 -6.511 -13.593 -1.285 116 HG3 GLU 12 HG1 GLU 12 -5.949 -14.976 -2.214 117 H HIS 13 HN HIS 13 -5.386 -10.161 -2.801 118 HA HIS 13 HA HIS 13 -8.264 -10.247 -2.069 119 HB2 HIS 13 HB2 HIS 13 -5.940 -8.638 -0.965 120 HB3 HIS 13 HB1 HIS 13 -7.608 -8.203 -0.608 121 HD1 HIS 13 HD1 HIS 13 -8.144 -9.014 1.707 122 HD2 HIS 13 HD2 HIS 13 -5.754 -11.692 -0.388 123 HE1 HIS 13 HE1 HIS 13 -7.846 -11.001 3.221 124 HE2 HIS 13 HE2 HIS 13 -6.537 -12.661 1.868 125 H GLY 14 HN GLY 14 -5.873 -8.004 -3.528 126 HA2 GLY 14 HA2 GLY 14 -7.891 -6.759 -5.194 127 HA3 GLY 14 HA1 GLY 14 -7.332 -5.742 -3.870 128 H THR 15 HN THR 15 -6.975 -5.323 -6.761 129 HA THR 15 HA THR 15 -4.256 -6.099 -7.463 130 HB THR 15 HB THR 15 -4.815 -5.051 -9.666 131 HG1 THR 15 HG1 THR 15 -7.179 -4.422 -9.806 132 HG21 THR 15 HG21 THR 15 -7.004 -6.882 -8.642 133 HG22 THR 15 HG22 THR 15 -5.460 -7.400 -9.325 134 HG23 THR 15 HG23 THR 15 -6.645 -6.569 -10.339 135 H GLN 16 HN GLN 16 -3.076 -4.196 -8.772 136 HA GLN 16 HA GLN 16 -2.303 -2.230 -6.885 137 HB2 GLN 16 HB2 GLN 16 -1.719 -2.105 -9.872 138 HB3 GLN 16 HB1 GLN 16 -0.796 -1.362 -8.566 139 HG2 GLN 16 HG2 GLN 16 -0.389 -3.771 -7.742 140 HG3 GLN 16 HG1 GLN 16 -0.971 -4.279 -9.324 141 HE21 GLN 16 HE21 GLN 16 1.621 -2.851 -7.548 142 HE22 GLN 16 HE22 GLN 16 2.761 -2.832 -8.828 143 H SER 17 HN SER 17 -4.527 -2.232 -9.569 144 HA SER 17 HA SER 17 -5.162 0.543 -9.684 145 HB2 SER 17 HB2 SER 17 -6.930 -1.847 -10.382 146 HB3 SER 17 HB1 SER 17 -7.096 -0.199 -11.002 147 HG SER 17 HG SER 17 -4.601 -1.298 -11.423 148 H ALA 18 HN ALA 18 -6.590 -2.257 -8.039 149 HA ALA 18 HA ALA 18 -8.760 -0.942 -6.773 150 HB1 ALA 18 HB1 ALA 18 -8.633 -3.380 -7.144 151 HB2 ALA 18 HB2 ALA 18 -8.958 -2.988 -5.456 152 HB3 ALA 18 HB3 ALA 18 -7.336 -3.488 -5.947 153 H LEU 19 HN LEU 19 -5.443 -1.525 -5.855 154 HA LEU 19 HA LEU 19 -5.742 -0.990 -3.062 155 HB2 LEU 19 HB2 LEU 19 -4.010 -2.529 -3.827 156 HB3 LEU 19 HB1 LEU 19 -3.272 -1.281 -4.815 157 HG LEU 19 HG LEU 19 -2.507 -0.082 -2.821 158 HD11 LEU 19 HD11 LEU 19 -4.328 -0.546 -1.263 159 HD12 LEU 19 HD12 LEU 19 -2.778 -0.955 -0.540 160 HD13 LEU 19 HD13 LEU 19 -3.834 -2.239 -1.139 161 HD21 LEU 19 HD21 LEU 19 -1.059 -1.837 -3.748 162 HD22 LEU 19 HD22 LEU 19 -1.794 -3.037 -2.682 163 HD23 LEU 19 HD23 LEU 19 -0.847 -1.709 -2.004 164 H ALA 20 HN ALA 20 -4.420 0.747 -5.867 165 HA ALA 20 HA ALA 20 -3.778 3.215 -4.649 166 HB1 ALA 20 HB1 ALA 20 -3.884 4.140 -6.936 167 HB2 ALA 20 HB2 ALA 20 -4.704 2.681 -7.502 168 HB3 ALA 20 HB3 ALA 20 -3.044 2.588 -6.916 169 H ALA 21 HN ALA 21 -6.841 1.971 -5.965 170 HA ALA 21 HA ALA 21 -8.406 4.326 -5.695 171 HB1 ALA 21 HB1 ALA 21 -10.344 2.815 -5.903 172 HB2 ALA 21 HB2 ALA 21 -9.292 1.422 -5.631 173 HB3 ALA 21 HB3 ALA 21 -9.086 2.410 -7.075 174 H ALA 22 HN ALA 22 -7.723 1.621 -3.535 175 HA ALA 22 HA ALA 22 -9.559 2.196 -1.461 176 HB1 ALA 22 HB1 ALA 22 -8.256 0.574 -0.134 177 HB2 ALA 22 HB2 ALA 22 -6.962 0.617 -1.336 178 HB3 ALA 22 HB3 ALA 22 -8.546 -0.027 -1.770 179 H LEU 23 HN LEU 23 -6.100 2.908 -1.849 180 HA LEU 23 HA LEU 23 -5.781 4.289 0.653 181 HB2 LEU 23 HB2 LEU 23 -3.962 4.351 -1.781 182 HB3 LEU 23 HB1 LEU 23 -3.522 4.784 -0.136 183 HG LEU 23 HG LEU 23 -4.224 1.985 -1.093 184 HD11 LEU 23 HD11 LEU 23 -2.098 2.728 -2.031 185 HD12 LEU 23 HD12 LEU 23 -1.838 1.466 -0.830 186 HD13 LEU 23 HD13 LEU 23 -1.507 3.152 -0.420 187 HD21 LEU 23 HD21 LEU 23 -4.863 2.276 1.237 188 HD22 LEU 23 HD22 LEU 23 -3.260 2.902 1.631 189 HD23 LEU 23 HD23 LEU 23 -3.454 1.222 1.125 190 H GLY 24 HN GLY 24 -6.864 5.183 -2.513 191 HA2 GLY 24 HA2 GLY 24 -7.694 7.186 -3.336 192 HA3 GLY 24 HA1 GLY 24 -7.241 7.976 -1.831 193 H VAL 25 HN VAL 25 -4.983 6.088 -3.710 194 HA VAL 25 HA VAL 25 -3.397 8.505 -4.333 195 HB VAL 25 HB VAL 25 -1.377 7.220 -3.930 196 HG11 VAL 25 HG11 VAL 25 -3.351 6.770 -1.676 197 HG12 VAL 25 HG12 VAL 25 -2.419 8.245 -1.964 198 HG13 VAL 25 HG13 VAL 25 -1.594 6.750 -1.522 199 HG21 VAL 25 HG21 VAL 25 -2.055 4.999 -4.774 200 HG22 VAL 25 HG22 VAL 25 -3.140 4.784 -3.397 201 HG23 VAL 25 HG23 VAL 25 -1.396 4.860 -3.142 202 H ASN 26 HN ASN 26 -1.610 7.869 -6.015 203 HA ASN 26 HA ASN 26 -2.840 6.862 -8.448 204 HB2 ASN 26 HB2 ASN 26 -0.015 7.853 -7.847 205 HB3 ASN 26 HB1 ASN 26 -0.562 7.347 -9.447 206 HD21 ASN 26 HD21 ASN 26 -0.249 9.361 -10.373 207 HD22 ASN 26 HD22 ASN 26 -1.231 10.732 -10.001 208 H GLN 27 HN GLN 27 -2.150 5.017 -9.603 209 HA GLN 27 HA GLN 27 -1.189 2.719 -8.229 210 HB2 GLN 27 HB2 GLN 27 -1.292 3.313 -11.220 211 HB3 GLN 27 HB1 GLN 27 -0.852 1.745 -10.545 212 HG2 GLN 27 HG2 GLN 27 -3.111 1.633 -9.472 213 HG3 GLN 27 HG1 GLN 27 -3.534 3.132 -10.310 214 HE21 GLN 27 HE21 GLN 27 -3.824 3.082 -12.579 215 HE22 GLN 27 HE22 GLN 27 -4.007 1.600 -13.443 216 H SER 28 HN SER 28 0.358 5.289 -10.013 217 HA SER 28 HA SER 28 2.892 4.306 -10.548 218 HB2 SER 28 HB2 SER 28 2.263 7.150 -9.641 219 HB3 SER 28 HB1 SER 28 3.587 6.630 -10.691 220 HG SER 28 HG SER 28 1.802 7.505 -11.847 221 H ALA 29 HN ALA 29 1.555 5.455 -7.513 222 HA ALA 29 HA ALA 29 3.927 5.583 -5.938 223 HB1 ALA 29 HB1 ALA 29 1.058 5.090 -5.029 224 HB2 ALA 29 HB2 ALA 29 1.813 6.670 -5.262 225 HB3 ALA 29 HB3 ALA 29 2.409 5.588 -4.006 226 H ILE 30 HN ILE 30 1.390 3.024 -6.156 227 HA ILE 30 HA ILE 30 2.692 1.111 -4.542 228 HB ILE 30 HB ILE 30 0.586 0.680 -6.716 229 HG12 ILE 30 HG12 ILE 30 -0.857 0.140 -4.610 230 HG13 ILE 30 HG11 ILE 30 0.419 0.905 -3.674 231 HG21 ILE 30 HG21 ILE 30 1.607 -1.389 -4.736 232 HG22 ILE 30 HG22 ILE 30 1.827 -1.414 -6.487 233 HG23 ILE 30 HG23 ILE 30 0.212 -1.585 -5.804 234 HD11 ILE 30 HD11 ILE 30 0.024 2.985 -4.854 235 HD12 ILE 30 HD12 ILE 30 -1.453 2.372 -4.102 236 HD13 ILE 30 HD13 ILE 30 -1.210 2.197 -5.841 237 H SER 31 HN SER 31 2.820 1.694 -8.014 238 HA SER 31 HA SER 31 4.329 -0.559 -8.836 239 HB2 SER 31 HB2 SER 31 4.050 2.201 -10.124 240 HB3 SER 31 HB1 SER 31 4.613 0.737 -10.941 241 HG SER 31 HG SER 31 2.565 -0.162 -10.656 242 H GLN 32 HN GLN 32 5.230 2.704 -7.726 243 HA GLN 32 HA GLN 32 8.036 2.523 -8.168 244 HB2 GLN 32 HB2 GLN 32 6.812 4.666 -7.775 245 HB3 GLN 32 HB1 GLN 32 6.521 4.205 -6.109 246 HG2 GLN 32 HG2 GLN 32 9.348 4.482 -7.163 247 HG3 GLN 32 HG1 GLN 32 8.431 5.904 -6.682 248 HE21 GLN 32 HE21 GLN 32 7.846 6.132 -4.455 249 HE22 GLN 32 HE22 GLN 32 8.696 5.288 -3.212 250 H MET 33 HN MET 33 5.953 1.725 -5.463 251 HA MET 33 HA MET 33 7.902 0.989 -3.526 252 HB2 MET 33 HB2 MET 33 4.980 0.226 -3.761 253 HB3 MET 33 HB1 MET 33 5.959 0.089 -2.309 254 HG2 MET 33 HG2 MET 33 6.043 2.837 -3.293 255 HG3 MET 33 HG1 MET 33 4.382 2.305 -3.122 256 HE1 MET 33 HE1 MET 33 4.712 0.181 -0.813 257 HE2 MET 33 HE2 MET 33 3.380 1.346 -0.945 258 HE3 MET 33 HE3 MET 33 4.265 1.185 0.574 259 H VAL 34 HN VAL 34 6.247 -0.756 -6.074 260 HA VAL 34 HA VAL 34 7.053 -3.426 -5.375 261 HB VAL 34 HB VAL 34 5.853 -2.132 -7.867 262 HG11 VAL 34 HG11 VAL 34 6.571 -5.078 -7.629 263 HG12 VAL 34 HG12 VAL 34 7.308 -3.904 -8.720 264 HG13 VAL 34 HG13 VAL 34 5.616 -4.341 -8.922 265 HG21 VAL 34 HG21 VAL 34 3.877 -3.518 -7.307 266 HG22 VAL 34 HG22 VAL 34 4.333 -2.480 -5.959 267 HG23 VAL 34 HG23 VAL 34 4.735 -4.197 -5.919 268 H ARG 35 HN ARG 35 8.135 -1.048 -7.807 269 HA ARG 35 HA ARG 35 10.308 -2.703 -8.761 270 HB2 ARG 35 HB2 ARG 35 9.537 0.161 -9.421 271 HB3 ARG 35 HB1 ARG 35 10.792 -0.754 -10.251 272 HG2 ARG 35 HG2 ARG 35 7.818 -1.373 -10.225 273 HG3 ARG 35 HG1 ARG 35 8.749 -0.726 -11.576 274 HD2 ARG 35 HD2 ARG 35 9.064 -3.492 -10.345 275 HD3 ARG 35 HD1 ARG 35 8.296 -3.119 -11.893 276 HE ARG 35 HE ARG 35 10.990 -2.154 -11.762 277 HH11 ARG 35 HH11 ARG 35 10.381 -5.789 -13.357 278 HH12 ARG 35 HH12 ARG 35 9.137 -5.076 -12.389 279 HH21 ARG 35 HH21 ARG 35 12.372 -4.673 -13.702 280 HH22 ARG 35 HH22 ARG 35 12.617 -3.110 -12.989 281 H ALA 36 HN ALA 36 9.955 -0.546 -6.169 282 HA ALA 36 HA ALA 36 12.628 0.349 -5.809 283 HB1 ALA 36 HB1 ALA 36 10.726 1.285 -4.528 284 HB2 ALA 36 HB2 ALA 36 11.979 0.686 -3.439 285 HB3 ALA 36 HB3 ALA 36 10.511 -0.261 -3.704 286 H GLY 37 HN GLY 37 11.131 -2.741 -5.524 287 HA2 GLY 37 HA2 GLY 37 11.917 -4.840 -4.995 288 HA3 GLY 37 HA1 GLY 37 13.520 -4.140 -4.778 289 H ARG 38 HN ARG 38 10.771 -2.838 -3.099 290 HA ARG 38 HA ARG 38 11.927 -3.677 -0.513 291 HB2 ARG 38 HB2 ARG 38 11.659 -1.189 -1.049 292 HB3 ARG 38 HB1 ARG 38 9.919 -1.433 -1.028 293 HG2 ARG 38 HG2 ARG 38 10.329 -0.617 1.126 294 HG3 ARG 38 HG1 ARG 38 10.298 -2.359 1.392 295 HD2 ARG 38 HD2 ARG 38 12.682 -0.496 1.333 296 HD3 ARG 38 HD1 ARG 38 12.163 -1.567 2.633 297 HE ARG 38 HE ARG 38 13.676 -2.280 0.223 298 HH11 ARG 38 HH11 ARG 38 13.125 -4.918 3.187 299 HH12 ARG 38 HH12 ARG 38 12.252 -3.424 3.230 300 HH21 ARG 38 HH21 ARG 38 14.754 -4.256 0.179 301 HH22 ARG 38 HH22 ARG 38 14.540 -5.396 1.472 302 H CYS 39 HN CYS 39 10.864 -5.160 0.688 303 HA CYS 39 HA CYS 39 8.299 -6.226 0.002 304 HB2 CYS 39 HB2 CYS 39 10.035 -7.563 1.185 305 HB3 CYS 39 HB1 CYS 39 9.871 -6.532 2.603 306 HG CYS 39 HG CYS 39 7.832 -8.969 1.461 307 H ILE 40 HN ILE 40 6.442 -5.105 0.268 308 HA ILE 40 HA ILE 40 6.265 -3.087 2.428 309 HB ILE 40 HB ILE 40 4.455 -3.356 -0.014 310 HG12 ILE 40 HG12 ILE 40 6.715 -2.772 -0.746 311 HG13 ILE 40 HG11 ILE 40 5.644 -1.394 -0.938 312 HG21 ILE 40 HG21 ILE 40 4.637 -1.114 2.008 313 HG22 ILE 40 HG22 ILE 40 3.329 -2.292 1.881 314 HG23 ILE 40 HG23 ILE 40 3.609 -1.147 0.572 315 HD11 ILE 40 HD11 ILE 40 6.587 -0.426 1.129 316 HD12 ILE 40 HD12 ILE 40 7.784 -0.662 -0.141 317 HD13 ILE 40 HD13 ILE 40 7.713 -1.782 1.222 318 H ASP 41 HN ASP 41 4.625 -3.055 3.841 319 HA ASP 41 HA ASP 41 3.118 -5.551 4.293 320 HB2 ASP 41 HB2 ASP 41 4.749 -4.949 6.036 321 HB3 ASP 41 HB1 ASP 41 4.031 -3.351 6.198 322 H ILE 42 HN ILE 42 0.965 -5.482 4.083 323 HA ILE 42 HA ILE 42 -0.475 -2.881 3.922 324 HB ILE 42 HB ILE 42 -1.304 -5.568 2.702 325 HG12 ILE 42 HG12 ILE 42 0.694 -4.676 1.531 326 HG13 ILE 42 HG11 ILE 42 -0.720 -4.628 0.491 327 HG21 ILE 42 HG21 ILE 42 -2.523 -2.801 2.342 328 HG22 ILE 42 HG22 ILE 42 -3.241 -4.150 3.223 329 HG23 ILE 42 HG23 ILE 42 -3.020 -4.258 1.477 330 HD11 ILE 42 HD11 ILE 42 0.518 -2.272 1.927 331 HD12 ILE 42 HD12 ILE 42 -0.929 -2.208 0.921 332 HD13 ILE 42 HD13 ILE 42 0.623 -2.631 0.202 333 H GLU 43 HN GLU 43 -1.468 -2.520 5.842 334 HA GLU 43 HA GLU 43 -2.305 -4.676 7.595 335 HB2 GLU 43 HB2 GLU 43 -1.382 -2.262 8.239 336 HB3 GLU 43 HB1 GLU 43 -3.053 -1.765 8.022 337 HG2 GLU 43 HG2 GLU 43 -2.051 -3.836 9.998 338 HG3 GLU 43 HG1 GLU 43 -2.516 -2.185 10.368 339 H LEU 44 HN LEU 44 -4.176 -5.688 7.368 340 HA LEU 44 HA LEU 44 -6.426 -4.625 5.811 341 HB2 LEU 44 HB2 LEU 44 -5.529 -7.345 6.726 342 HB3 LEU 44 HB1 LEU 44 -7.258 -7.112 6.598 343 HG LEU 44 HG LEU 44 -6.162 -8.167 4.588 344 HD11 LEU 44 HD11 LEU 44 -7.670 -5.581 4.084 345 HD12 LEU 44 HD12 LEU 44 -8.379 -7.160 4.417 346 HD13 LEU 44 HD13 LEU 44 -7.474 -6.904 2.929 347 HD21 LEU 44 HD21 LEU 44 -4.920 -6.771 2.998 348 HD22 LEU 44 HD22 LEU 44 -4.077 -6.830 4.544 349 HD23 LEU 44 HD23 LEU 44 -5.002 -5.393 4.101 350 H TYR 45 HN TYR 45 -7.583 -3.205 7.028 351 HA TYR 45 HA TYR 45 -8.226 -3.334 9.760 352 HB2 TYR 45 HB2 TYR 45 -9.740 -2.108 7.433 353 HB3 TYR 45 HB1 TYR 45 -10.192 -1.860 9.113 354 HD1 TYR 45 HD1 TYR 45 -8.752 -0.141 6.543 355 HD2 TYR 45 HD2 TYR 45 -7.822 -1.280 10.562 356 HE1 TYR 45 HE1 TYR 45 -7.273 1.806 6.752 357 HE2 TYR 45 HE2 TYR 45 -6.349 0.683 10.753 358 HH TYR 45 HH TYR 45 -5.103 2.212 9.289 359 H THR 46 HN THR 46 -10.317 -3.812 10.750 360 HA THR 46 HA THR 46 -10.986 -6.526 10.343 361 HB THR 46 HB THR 46 -10.983 -5.588 12.586 362 HG1 THR 46 HG1 THR 46 -13.678 -6.282 11.960 363 HG21 THR 46 HG21 THR 46 -12.711 -4.021 13.377 364 HG22 THR 46 HG22 THR 46 -13.381 -3.927 11.748 365 HG23 THR 46 HG23 THR 46 -11.766 -3.298 12.074 366 H ASP 47 HN ASP 47 -12.544 -3.574 9.235 367 HA ASP 47 HA ASP 47 -15.051 -4.857 8.504 368 HB2 ASP 47 HB2 ASP 47 -15.734 -2.688 7.657 369 HB3 ASP 47 HB1 ASP 47 -14.926 -2.445 9.201 370 H GLY 48 HN GLY 48 -11.976 -4.538 7.121 371 HA2 GLY 48 HA2 GLY 48 -11.491 -6.079 5.288 372 HA3 GLY 48 HA1 GLY 48 -12.944 -5.495 4.494 373 H ARG 49 HN ARG 49 -12.035 -2.654 5.531 374 HA ARG 49 HA ARG 49 -10.672 -1.788 3.187 375 HB2 ARG 49 HB2 ARG 49 -11.275 -0.478 5.848 376 HB3 ARG 49 HB1 ARG 49 -10.209 0.331 4.701 377 HG2 ARG 49 HG2 ARG 49 -12.031 0.251 2.998 378 HG3 ARG 49 HG1 ARG 49 -13.094 -0.469 4.212 379 HD2 ARG 49 HD2 ARG 49 -13.463 1.968 3.980 380 HD3 ARG 49 HD1 ARG 49 -12.919 1.536 5.606 381 HE ARG 49 HE ARG 49 -10.857 2.367 3.705 382 HH11 ARG 49 HH11 ARG 49 -11.952 4.755 6.756 383 HH12 ARG 49 HH12 ARG 49 -12.922 3.369 6.375 384 HH21 ARG 49 HH21 ARG 49 -9.590 4.190 4.231 385 HH22 ARG 49 HH22 ARG 49 -10.070 5.217 5.541 386 H VAL 50 HN VAL 50 -8.512 -0.585 3.241 387 HA VAL 50 HA VAL 50 -6.527 -1.983 4.920 388 HB VAL 50 HB VAL 50 -4.994 -2.266 3.044 389 HG11 VAL 50 HG11 VAL 50 -6.521 -4.111 3.501 390 HG12 VAL 50 HG12 VAL 50 -6.149 -4.024 1.780 391 HG13 VAL 50 HG13 VAL 50 -7.703 -3.440 2.375 392 HG21 VAL 50 HG21 VAL 50 -5.652 -1.826 0.683 393 HG22 VAL 50 HG22 VAL 50 -5.598 -0.342 1.635 394 HG23 VAL 50 HG23 VAL 50 -7.153 -1.079 1.243 395 H GLU 51 HN GLU 51 -4.540 -0.966 5.135 396 HA GLU 51 HA GLU 51 -4.142 1.678 3.900 397 HB2 GLU 51 HB2 GLU 51 -2.923 2.468 5.884 398 HB3 GLU 51 HB1 GLU 51 -4.580 2.070 6.320 399 HG2 GLU 51 HG2 GLU 51 -3.935 0.120 7.492 400 HG3 GLU 51 HG1 GLU 51 -2.346 0.075 6.741 401 H CYS 52 HN CYS 52 -2.139 1.876 2.970 402 HA CYS 52 HA CYS 52 -0.187 -0.322 3.249 403 HB2 CYS 52 HB2 CYS 52 -0.765 0.422 0.946 404 HB3 CYS 52 HB1 CYS 52 -0.222 2.054 1.332 405 HG CYS 52 HG CYS 52 1.512 0.083 -0.195 406 H ARG 53 HN ARG 53 1.216 -0.024 4.917 407 HA ARG 53 HA ARG 53 1.285 2.469 6.317 408 HB2 ARG 53 HB2 ARG 53 1.404 0.258 7.447 409 HB3 ARG 53 HB1 ARG 53 3.007 0.001 6.777 410 HG2 ARG 53 HG2 ARG 53 3.177 0.683 9.107 411 HG3 ARG 53 HG1 ARG 53 3.856 1.937 8.074 412 HD2 ARG 53 HD2 ARG 53 1.025 2.070 9.172 413 HD3 ARG 53 HD1 ARG 53 2.418 2.726 10.035 414 HE ARG 53 HE ARG 53 2.653 3.955 7.670 415 HH11 ARG 53 HH11 ARG 53 -0.149 3.662 9.771 416 HH12 ARG 53 HH12 ARG 53 -0.833 5.163 9.240 417 HH21 ARG 53 HH21 ARG 53 1.705 5.876 6.957 418 HH22 ARG 53 HH22 ARG 53 0.211 6.417 7.647 419 H GLU 54 HN GLU 54 3.414 1.038 3.920 420 HA GLU 54 HA GLU 54 5.563 2.936 4.414 421 HB2 GLU 54 HB2 GLU 54 6.014 0.607 3.631 422 HB3 GLU 54 HB1 GLU 54 5.279 1.010 2.087 423 HG2 GLU 54 HG2 GLU 54 7.728 1.089 1.965 424 HG3 GLU 54 HG1 GLU 54 7.017 2.665 1.644 425 H LEU 55 HN LEU 55 2.626 3.058 2.715 426 HA LEU 55 HA LEU 55 3.322 4.701 0.517 427 HB2 LEU 55 HB2 LEU 55 1.189 3.369 0.673 428 HB3 LEU 55 HB1 LEU 55 0.599 4.492 1.878 429 HG LEU 55 HG LEU 55 -0.306 4.808 -0.504 430 HD11 LEU 55 HD11 LEU 55 -0.267 7.267 -0.480 431 HD12 LEU 55 HD12 LEU 55 1.038 7.259 0.703 432 HD13 LEU 55 HD13 LEU 55 -0.551 6.627 1.137 433 HD21 LEU 55 HD21 LEU 55 1.104 5.947 -2.168 434 HD22 LEU 55 HD22 LEU 55 1.802 4.389 -1.722 435 HD23 LEU 55 HD23 LEU 55 2.484 5.879 -1.068 436 H ARG 56 HN ARG 56 4.583 6.281 1.191 437 HA ARG 56 HA ARG 56 3.566 8.433 2.899 438 HB2 ARG 56 HB2 ARG 56 6.087 8.190 1.223 439 HB3 ARG 56 HB1 ARG 56 5.702 9.582 2.226 440 HG2 ARG 56 HG2 ARG 56 6.089 6.753 3.241 441 HG3 ARG 56 HG1 ARG 56 7.304 8.033 3.293 442 HD2 ARG 56 HD2 ARG 56 4.608 8.093 4.704 443 HD3 ARG 56 HD1 ARG 56 6.170 7.780 5.469 444 HE ARG 56 HE ARG 56 6.265 10.251 4.092 445 HH11 ARG 56 HH11 ARG 56 4.837 8.903 7.019 446 HH12 ARG 56 HH12 ARG 56 4.812 10.427 7.842 447 HH21 ARG 56 HH21 ARG 56 6.207 12.227 5.179 448 HH22 ARG 56 HH22 ARG 56 5.590 12.318 6.799 449 HA PRO 57 HA PRO 57 1.431 10.177 -0.786 450 HB2 PRO 57 HB2 PRO 57 0.923 12.436 1.143 451 HB3 PRO 57 HB1 PRO 57 -0.230 11.491 0.177 452 HG2 PRO 57 HG2 PRO 57 -0.069 11.096 2.794 453 HG3 PRO 57 HG1 PRO 57 -0.276 9.722 1.680 454 HD2 PRO 57 HD2 PRO 57 2.258 10.676 3.025 455 HD3 PRO 57 HD1 PRO 57 1.633 9.019 2.861 456 H ASP 58 HN ASP 58 4.208 11.229 0.794 457 HA ASP 58 HA ASP 58 4.836 13.678 -0.447 458 HB2 ASP 58 HB2 ASP 58 6.741 11.477 0.499 459 HB3 ASP 58 HB1 ASP 58 7.186 13.150 0.172 460 H VAL 59 HN VAL 59 4.934 10.374 -1.524 461 HA VAL 59 HA VAL 59 6.756 10.376 -3.609 462 HB VAL 59 HB VAL 59 5.611 8.373 -2.620 463 HG11 VAL 59 HG11 VAL 59 3.305 9.168 -2.642 464 HG12 VAL 59 HG12 VAL 59 3.445 7.619 -3.473 465 HG13 VAL 59 HG13 VAL 59 3.278 9.109 -4.406 466 HG21 VAL 59 HG21 VAL 59 5.576 7.019 -4.693 467 HG22 VAL 59 HG22 VAL 59 6.944 8.131 -4.681 468 HG23 VAL 59 HG23 VAL 59 5.524 8.494 -5.664 469 H PHE 60 HN PHE 60 3.548 11.697 -3.524 470 HA PHE 60 HA PHE 60 3.013 12.100 -6.279 471 HB2 PHE 60 HB2 PHE 60 2.090 13.500 -3.755 472 HB3 PHE 60 HB1 PHE 60 1.488 13.947 -5.348 473 HD1 PHE 60 HD1 PHE 60 -0.475 12.937 -6.110 474 HD2 PHE 60 HD2 PHE 60 1.863 10.899 -3.158 475 HE1 PHE 60 HE1 PHE 60 -2.198 11.201 -5.928 476 HE2 PHE 60 HE2 PHE 60 0.122 9.179 -2.984 477 HZ PHE 60 HZ PHE 60 -1.897 9.341 -4.365 478 H GLY 61 HN GLY 61 4.212 14.379 -3.779 479 HA2 GLY 61 HA2 GLY 61 5.022 16.372 -5.780 480 HA3 GLY 61 HA1 GLY 61 4.988 16.576 -4.033 481 H ALA 62 HN ALA 62 6.480 13.903 -5.747 482 HA ALA 62 HA ALA 62 9.132 14.624 -4.660 483 HB1 ALA 62 HB1 ALA 62 7.936 11.887 -5.234 484 HB2 ALA 62 HB2 ALA 62 8.147 12.611 -3.642 485 HB3 ALA 62 HB3 ALA 62 9.566 12.183 -4.606 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -5.774 -3.604 12.719 2 H2 MET 1 HT2 MET 1 -7.060 -4.672 12.504 3 H3 MET 1 HT3 MET 1 -7.276 -3.017 12.219 4 HA MET 1 HA MET 1 -7.104 -4.206 10.167 5 HB2 MET 1 HB2 MET 1 -5.391 -2.829 9.114 6 HB3 MET 1 HB1 MET 1 -6.275 -1.884 10.299 7 HG2 MET 1 HG2 MET 1 -4.070 -1.192 10.591 8 HG3 MET 1 HG1 MET 1 -4.254 -2.391 11.875 9 HE1 MET 1 HE1 MET 1 -1.510 -1.157 10.358 10 HE2 MET 1 HE2 MET 1 -0.490 -2.596 10.359 11 HE3 MET 1 HE3 MET 1 -1.403 -2.164 11.805 12 H LYS 2 HN LYS 2 -6.088 -5.720 8.878 13 HA LYS 2 HA LYS 2 -3.940 -7.324 10.044 14 HB2 LYS 2 HB2 LYS 2 -4.458 -8.992 8.371 15 HB3 LYS 2 HB1 LYS 2 -5.963 -8.464 9.112 16 HG2 LYS 2 HG2 LYS 2 -6.369 -6.998 7.104 17 HG3 LYS 2 HG1 LYS 2 -4.919 -7.682 6.368 18 HD2 LYS 2 HD2 LYS 2 -6.826 -8.858 5.467 19 HD3 LYS 2 HD1 LYS 2 -5.963 -9.964 6.537 20 HE2 LYS 2 HE2 LYS 2 -7.622 -9.468 8.337 21 HE3 LYS 2 HE1 LYS 2 -8.509 -8.438 7.208 22 HZ1 LYS 2 HZ1 LYS 2 -8.810 -10.402 5.787 23 HZ2 LYS 2 HZ2 LYS 2 -9.512 -10.596 7.307 24 HZ3 LYS 2 HZ3 LYS 2 -8.052 -11.363 6.949 25 H LYS 3 HN LYS 3 -1.952 -7.328 9.280 26 HA LYS 3 HA LYS 3 -1.042 -5.395 7.320 27 HB2 LYS 3 HB2 LYS 3 1.213 -6.264 7.963 28 HB3 LYS 3 HB1 LYS 3 0.269 -5.737 9.349 29 HG2 LYS 3 HG2 LYS 3 -0.277 -8.089 9.874 30 HG3 LYS 3 HG1 LYS 3 0.664 -8.623 8.482 31 HD2 LYS 3 HD2 LYS 3 1.831 -7.094 10.846 32 HD3 LYS 3 HD1 LYS 3 1.830 -8.852 10.712 33 HE2 LYS 3 HE2 LYS 3 3.998 -8.133 10.021 34 HE3 LYS 3 HE1 LYS 3 3.145 -8.572 8.545 35 HZ1 LYS 3 HZ1 LYS 3 4.413 -6.505 8.352 36 HZ2 LYS 3 HZ2 LYS 3 3.463 -5.798 9.556 37 HZ3 LYS 3 HZ3 LYS 3 2.765 -6.255 8.085 38 H ILE 4 HN ILE 4 -0.410 -5.842 5.244 39 HA ILE 4 HA ILE 4 -0.358 -8.642 4.262 40 HB ILE 4 HB ILE 4 -1.833 -6.353 2.897 41 HG12 ILE 4 HG12 ILE 4 -2.879 -8.782 4.397 42 HG13 ILE 4 HG11 ILE 4 -3.252 -7.084 4.681 43 HG21 ILE 4 HG21 ILE 4 -1.670 -9.236 1.945 44 HG22 ILE 4 HG22 ILE 4 -0.809 -7.874 1.234 45 HG23 ILE 4 HG23 ILE 4 -2.570 -7.918 1.166 46 HD11 ILE 4 HD11 ILE 4 -4.159 -8.812 2.408 47 HD12 ILE 4 HD12 ILE 4 -4.426 -7.067 2.478 48 HD13 ILE 4 HD13 ILE 4 -5.133 -8.127 3.705 49 HA PRO 5 HA PRO 5 3.308 -7.030 2.045 50 HB2 PRO 5 HB2 PRO 5 2.861 -9.370 0.203 51 HB3 PRO 5 HB1 PRO 5 4.283 -8.972 1.197 52 HG2 PRO 5 HG2 PRO 5 2.684 -11.015 1.863 53 HG3 PRO 5 HG1 PRO 5 3.414 -9.977 3.112 54 HD2 PRO 5 HD2 PRO 5 0.608 -9.868 1.981 55 HD3 PRO 5 HD1 PRO 5 1.123 -9.796 3.676 56 H LEU 6 HN LEU 6 3.387 -5.568 0.376 57 HA LEU 6 HA LEU 6 1.181 -4.495 -0.837 58 HB2 LEU 6 HB2 LEU 6 3.246 -3.255 -0.683 59 HB3 LEU 6 HB1 LEU 6 4.084 -4.419 -1.688 60 HG LEU 6 HG LEU 6 2.700 -3.687 -3.647 61 HD11 LEU 6 HD11 LEU 6 0.728 -2.825 -2.496 62 HD12 LEU 6 HD12 LEU 6 1.423 -1.602 -3.553 63 HD13 LEU 6 HD13 LEU 6 1.681 -1.501 -1.810 64 HD21 LEU 6 HD21 LEU 6 4.951 -2.758 -3.289 65 HD22 LEU 6 HD22 LEU 6 4.266 -1.445 -2.328 66 HD23 LEU 6 HD23 LEU 6 3.882 -1.582 -4.047 67 H SER 7 HN SER 7 3.461 -6.841 -2.169 68 HA SER 7 HA SER 7 2.479 -7.100 -4.760 69 HB2 SER 7 HB2 SER 7 3.614 -9.384 -4.650 70 HB3 SER 7 HB1 SER 7 4.619 -8.009 -4.193 71 HG SER 7 HG SER 7 3.557 -10.050 -2.616 72 H LYS 8 HN LYS 8 1.678 -9.176 -1.897 73 HA LYS 8 HA LYS 8 -0.293 -10.657 -3.399 74 HB2 LYS 8 HB2 LYS 8 0.882 -10.889 -0.677 75 HB3 LYS 8 HB1 LYS 8 -0.790 -11.430 -0.789 76 HG2 LYS 8 HG2 LYS 8 1.542 -12.468 -2.455 77 HG3 LYS 8 HG1 LYS 8 0.727 -13.310 -1.127 78 HD2 LYS 8 HD2 LYS 8 -1.369 -13.360 -2.421 79 HD3 LYS 8 HD1 LYS 8 -0.607 -12.451 -3.724 80 HE2 LYS 8 HE2 LYS 8 0.950 -14.346 -4.109 81 HE3 LYS 8 HE1 LYS 8 0.128 -15.256 -2.838 82 HZ1 LYS 8 HZ1 LYS 8 -1.921 -15.123 -4.140 83 HZ2 LYS 8 HZ2 LYS 8 -0.686 -15.884 -5.005 84 HZ3 LYS 8 HZ3 LYS 8 -1.108 -14.289 -5.365 85 H TYR 9 HN TYR 9 -0.468 -7.746 -1.535 86 HA TYR 9 HA TYR 9 -3.314 -7.747 -1.238 87 HB2 TYR 9 HB2 TYR 9 -1.981 -6.117 0.039 88 HB3 TYR 9 HB1 TYR 9 -1.399 -5.375 -1.441 89 HD1 TYR 9 HD1 TYR 9 -4.376 -5.856 0.717 90 HD2 TYR 9 HD2 TYR 9 -2.823 -3.827 -2.715 91 HE1 TYR 9 HE1 TYR 9 -6.372 -4.463 0.630 92 HE2 TYR 9 HE2 TYR 9 -4.828 -2.421 -2.783 93 HH TYR 9 HH TYR 9 -7.157 -2.513 -2.052 94 H LEU 10 HN LEU 10 -1.075 -6.515 -3.680 95 HA LEU 10 HA LEU 10 -2.947 -5.458 -5.506 96 HB2 LEU 10 HB2 LEU 10 -0.104 -6.423 -5.956 97 HB3 LEU 10 HB1 LEU 10 -1.045 -5.526 -7.138 98 HG LEU 10 HG LEU 10 -0.179 -4.460 -4.423 99 HD11 LEU 10 HD11 LEU 10 1.376 -3.031 -5.670 100 HD12 LEU 10 HD12 LEU 10 0.904 -3.809 -7.183 101 HD13 LEU 10 HD13 LEU 10 1.728 -4.738 -5.927 102 HD21 LEU 10 HD21 LEU 10 -2.289 -3.449 -5.084 103 HD22 LEU 10 HD22 LEU 10 -1.649 -3.069 -6.685 104 HD23 LEU 10 HD23 LEU 10 -0.992 -2.269 -5.254 105 H GLU 11 HN GLU 11 -1.766 -8.706 -4.988 106 HA GLU 11 HA GLU 11 -2.757 -9.801 -7.475 107 HB2 GLU 11 HB2 GLU 11 -1.890 -11.182 -4.889 108 HB3 GLU 11 HB1 GLU 11 -2.271 -12.018 -6.394 109 HG2 GLU 11 HG2 GLU 11 0.027 -10.100 -5.911 110 HG3 GLU 11 HG1 GLU 11 0.131 -11.846 -6.101 111 H GLU 12 HN GLU 12 -3.829 -9.923 -4.046 112 HA GLU 12 HA GLU 12 -6.133 -11.565 -4.864 113 HB2 GLU 12 HB2 GLU 12 -5.106 -11.017 -2.048 114 HB3 GLU 12 HB1 GLU 12 -6.266 -12.250 -2.532 115 HG2 GLU 12 HG2 GLU 12 -3.326 -12.165 -3.266 116 HG3 GLU 12 HG1 GLU 12 -4.058 -13.208 -2.052 117 H HIS 13 HN HIS 13 -5.458 -8.694 -2.816 118 HA HIS 13 HA HIS 13 -8.300 -8.570 -2.063 119 HB2 HIS 13 HB2 HIS 13 -5.826 -7.244 -0.902 120 HB3 HIS 13 HB1 HIS 13 -7.456 -6.955 -0.299 121 HD1 HIS 13 HD1 HIS 13 -8.507 -8.759 1.155 122 HD2 HIS 13 HD2 HIS 13 -4.766 -9.817 -0.319 123 HE1 HIS 13 HE1 HIS 13 -7.833 -10.797 2.434 124 HE2 HIS 13 HE2 HIS 13 -5.670 -11.542 1.384 125 H GLY 14 HN GLY 14 -6.240 -6.966 -4.217 126 HA2 GLY 14 HA2 GLY 14 -8.217 -5.268 -5.249 127 HA3 GLY 14 HA1 GLY 14 -7.201 -4.314 -4.165 128 H THR 15 HN THR 15 -7.363 -3.938 -7.028 129 HA THR 15 HA THR 15 -4.776 -4.852 -8.024 130 HB THR 15 HB THR 15 -5.888 -3.064 -9.950 131 HG1 THR 15 HG1 THR 15 -7.904 -4.763 -8.859 132 HG21 THR 15 HG21 THR 15 -5.935 -6.095 -9.884 133 HG22 THR 15 HG22 THR 15 -4.609 -5.066 -10.442 134 HG23 THR 15 HG23 THR 15 -6.146 -5.075 -11.314 135 H GLN 16 HN GLN 16 -3.736 -3.040 -9.507 136 HA GLN 16 HA GLN 16 -2.375 -1.433 -7.622 137 HB2 GLN 16 HB2 GLN 16 -2.082 -1.550 -10.649 138 HB3 GLN 16 HB1 GLN 16 -0.981 -0.698 -9.578 139 HG2 GLN 16 HG2 GLN 16 0.106 -2.726 -10.104 140 HG3 GLN 16 HG1 GLN 16 -0.502 -2.942 -8.465 141 HE21 GLN 16 HE21 GLN 16 -2.190 -4.457 -8.119 142 HE22 GLN 16 HE22 GLN 16 -2.618 -5.641 -9.300 143 H SER 17 HN SER 17 -4.503 -0.771 -10.340 144 HA SER 17 HA SER 17 -4.748 2.044 -10.080 145 HB2 SER 17 HB2 SER 17 -5.380 0.709 -12.110 146 HB3 SER 17 HB1 SER 17 -6.748 0.055 -11.212 147 HG SER 17 HG SER 17 -6.353 2.831 -11.543 148 H ALA 18 HN ALA 18 -6.610 -0.700 -8.827 149 HA ALA 18 HA ALA 18 -8.699 0.623 -7.529 150 HB1 ALA 18 HB1 ALA 18 -8.594 -1.823 -7.910 151 HB2 ALA 18 HB2 ALA 18 -8.978 -1.425 -6.231 152 HB3 ALA 18 HB3 ALA 18 -7.344 -1.948 -6.664 153 H LEU 19 HN LEU 19 -5.432 -0.116 -6.458 154 HA LEU 19 HA LEU 19 -5.902 0.569 -3.695 155 HB2 LEU 19 HB2 LEU 19 -4.239 -1.126 -4.190 156 HB3 LEU 19 HB1 LEU 19 -3.335 -0.023 -5.217 157 HG LEU 19 HG LEU 19 -2.643 1.304 -3.267 158 HD11 LEU 19 HD11 LEU 19 -4.609 1.086 -1.827 159 HD12 LEU 19 HD12 LEU 19 -3.149 0.641 -0.953 160 HD13 LEU 19 HD13 LEU 19 -4.240 -0.618 -1.534 161 HD21 LEU 19 HD21 LEU 19 -1.184 -0.346 -2.158 162 HD22 LEU 19 HD22 LEU 19 -1.234 -0.602 -3.899 163 HD23 LEU 19 HD23 LEU 19 -2.151 -1.665 -2.829 164 H ALA 20 HN ALA 20 -4.060 2.027 -6.374 165 HA ALA 20 HA ALA 20 -3.275 4.467 -5.243 166 HB1 ALA 20 HB1 ALA 20 -3.108 5.262 -7.583 167 HB2 ALA 20 HB2 ALA 20 -4.055 3.873 -8.130 168 HB3 ALA 20 HB3 ALA 20 -2.468 3.624 -7.410 169 H ALA 21 HN ALA 21 -6.356 3.545 -6.756 170 HA ALA 21 HA ALA 21 -7.585 6.106 -6.779 171 HB1 ALA 21 HB1 ALA 21 -9.675 4.894 -7.206 172 HB2 ALA 21 HB2 ALA 21 -8.900 3.372 -6.752 173 HB3 ALA 21 HB3 ALA 21 -8.356 4.236 -8.188 174 H ALA 22 HN ALA 22 -7.479 3.465 -4.420 175 HA ALA 22 HA ALA 22 -9.316 4.605 -2.532 176 HB1 ALA 22 HB1 ALA 22 -8.559 2.814 -1.036 177 HB2 ALA 22 HB2 ALA 22 -7.211 2.460 -2.121 178 HB3 ALA 22 HB3 ALA 22 -8.867 2.187 -2.659 179 H LEU 23 HN LEU 23 -5.866 4.923 -3.095 180 HA LEU 23 HA LEU 23 -5.309 6.183 -0.520 181 HB2 LEU 23 HB2 LEU 23 -3.483 5.827 -2.933 182 HB3 LEU 23 HB1 LEU 23 -2.988 6.368 -1.335 183 HG LEU 23 HG LEU 23 -3.966 3.591 -2.096 184 HD11 LEU 23 HD11 LEU 23 -1.661 4.008 -2.765 185 HD12 LEU 23 HD12 LEU 23 -1.723 2.838 -1.449 186 HD13 LEU 23 HD13 LEU 23 -1.249 4.506 -1.120 187 HD21 LEU 23 HD21 LEU 23 -3.273 4.599 0.680 188 HD22 LEU 23 HD22 LEU 23 -3.568 2.913 0.250 189 HD23 LEU 23 HD23 LEU 23 -4.867 4.096 0.111 190 H GLY 24 HN GLY 24 -6.162 7.187 -3.742 191 HA2 GLY 24 HA2 GLY 24 -6.762 9.325 -4.489 192 HA3 GLY 24 HA1 GLY 24 -6.076 10.018 -3.026 193 H VAL 25 HN VAL 25 -4.189 7.767 -4.855 194 HA VAL 25 HA VAL 25 -2.434 9.925 -5.895 195 HB VAL 25 HB VAL 25 -0.493 8.500 -5.456 196 HG11 VAL 25 HG11 VAL 25 -2.246 8.512 -2.976 197 HG12 VAL 25 HG12 VAL 25 -1.292 9.885 -3.552 198 HG13 VAL 25 HG13 VAL 25 -0.484 8.415 -3.005 199 HG21 VAL 25 HG21 VAL 25 -1.465 6.278 -5.918 200 HG22 VAL 25 HG22 VAL 25 -2.435 6.370 -4.447 201 HG23 VAL 25 HG23 VAL 25 -0.676 6.278 -4.340 202 H ASN 26 HN ASN 26 -1.110 9.190 -7.814 203 HA ASN 26 HA ASN 26 -2.566 7.471 -9.671 204 HB2 ASN 26 HB2 ASN 26 -0.036 9.125 -9.835 205 HB3 ASN 26 HB1 ASN 26 -0.313 7.884 -11.049 206 HD21 ASN 26 HD21 ASN 26 -1.360 10.977 -9.841 207 HD22 ASN 26 HD22 ASN 26 -2.406 11.364 -11.172 208 H GLN 27 HN GLN 27 -1.494 5.638 -10.741 209 HA GLN 27 HA GLN 27 -0.483 3.666 -8.973 210 HB2 GLN 27 HB2 GLN 27 -0.422 3.713 -12.022 211 HB3 GLN 27 HB1 GLN 27 -0.088 2.291 -11.027 212 HG2 GLN 27 HG2 GLN 27 -2.379 2.294 -10.183 213 HG3 GLN 27 HG1 GLN 27 -2.723 3.793 -11.049 214 HE21 GLN 27 HE21 GLN 27 -2.913 3.732 -13.332 215 HE22 GLN 27 HE22 GLN 27 -3.218 2.253 -14.167 216 H SER 28 HN SER 28 1.169 6.168 -10.682 217 HA SER 28 HA SER 28 3.772 5.227 -10.926 218 HB2 SER 28 HB2 SER 28 2.882 8.015 -10.089 219 HB3 SER 28 HB1 SER 28 4.478 7.603 -10.723 220 HG SER 28 HG SER 28 2.743 6.654 -12.456 221 H ALA 29 HN ALA 29 2.032 6.153 -8.020 222 HA ALA 29 HA ALA 29 4.179 6.228 -6.158 223 HB1 ALA 29 HB1 ALA 29 1.889 7.078 -5.721 224 HB2 ALA 29 HB2 ALA 29 2.425 5.967 -4.472 225 HB3 ALA 29 HB3 ALA 29 1.276 5.424 -5.699 226 H ILE 30 HN ILE 30 1.791 3.654 -6.797 227 HA ILE 30 HA ILE 30 2.896 1.771 -5.022 228 HB ILE 30 HB ILE 30 0.874 1.486 -7.285 229 HG12 ILE 30 HG12 ILE 30 -0.675 0.952 -5.282 230 HG13 ILE 30 HG11 ILE 30 0.622 1.505 -4.233 231 HG21 ILE 30 HG21 ILE 30 1.742 -0.720 -5.391 232 HG22 ILE 30 HG22 ILE 30 1.992 -0.672 -7.138 233 HG23 ILE 30 HG23 ILE 30 0.359 -0.790 -6.488 234 HD11 ILE 30 HD11 ILE 30 0.465 3.721 -5.247 235 HD12 ILE 30 HD12 ILE 30 -1.070 3.187 -4.559 236 HD13 ILE 30 HD13 ILE 30 -0.823 3.136 -6.304 237 H SER 31 HN SER 31 3.148 2.103 -8.551 238 HA SER 31 HA SER 31 4.676 -0.181 -9.114 239 HB2 SER 31 HB2 SER 31 4.527 2.463 -10.632 240 HB3 SER 31 HB1 SER 31 5.167 0.948 -11.283 241 HG SER 31 HG SER 31 2.566 1.749 -10.902 242 H GLN 32 HN GLN 32 5.706 3.146 -8.235 243 HA GLN 32 HA GLN 32 8.503 2.680 -8.628 244 HB2 GLN 32 HB2 GLN 32 7.622 4.964 -8.616 245 HB3 GLN 32 HB1 GLN 32 7.122 4.803 -6.935 246 HG2 GLN 32 HG2 GLN 32 9.466 4.618 -6.229 247 HG3 GLN 32 HG1 GLN 32 10.002 4.685 -7.907 248 HE21 GLN 32 HE21 GLN 32 8.680 6.524 -5.238 249 HE22 GLN 32 HE22 GLN 32 8.993 8.088 -5.901 250 H MET 33 HN MET 33 6.339 2.329 -5.888 251 HA MET 33 HA MET 33 8.286 1.704 -3.888 252 HB2 MET 33 HB2 MET 33 5.345 1.011 -3.995 253 HB3 MET 33 HB1 MET 33 6.371 0.945 -2.568 254 HG2 MET 33 HG2 MET 33 6.628 3.597 -3.593 255 HG3 MET 33 HG1 MET 33 4.918 3.198 -3.642 256 HE1 MET 33 HE1 MET 33 4.853 1.099 -1.231 257 HE2 MET 33 HE2 MET 33 3.584 2.301 -1.523 258 HE3 MET 33 HE3 MET 33 4.302 2.148 0.085 259 H VAL 34 HN VAL 34 6.620 -0.148 -6.331 260 HA VAL 34 HA VAL 34 7.470 -2.772 -5.518 261 HB VAL 34 HB VAL 34 6.332 -1.627 -8.117 262 HG11 VAL 34 HG11 VAL 34 6.955 -4.559 -7.594 263 HG12 VAL 34 HG12 VAL 34 7.760 -3.510 -8.764 264 HG13 VAL 34 HG13 VAL 34 6.060 -3.916 -8.979 265 HG21 VAL 34 HG21 VAL 34 5.100 -3.495 -6.044 266 HG22 VAL 34 HG22 VAL 34 4.303 -2.899 -7.504 267 HG23 VAL 34 HG23 VAL 34 4.754 -1.774 -6.227 268 H ARG 35 HN ARG 35 8.637 -0.375 -7.907 269 HA ARG 35 HA ARG 35 10.781 -2.062 -8.888 270 HB2 ARG 35 HB2 ARG 35 10.128 0.842 -9.516 271 HB3 ARG 35 HB1 ARG 35 11.331 -0.129 -10.361 272 HG2 ARG 35 HG2 ARG 35 8.327 -0.568 -10.345 273 HG3 ARG 35 HG1 ARG 35 9.299 0.032 -11.689 274 HD2 ARG 35 HD2 ARG 35 10.411 -2.140 -11.893 275 HD3 ARG 35 HD1 ARG 35 9.571 -2.738 -10.460 276 HE ARG 35 HE ARG 35 7.930 -1.866 -12.720 277 HH11 ARG 35 HH11 ARG 35 9.289 -4.588 -10.950 278 HH12 ARG 35 HH12 ARG 35 8.192 -5.732 -11.657 279 HH21 ARG 35 HH21 ARG 35 6.533 -3.377 -13.645 280 HH22 ARG 35 HH22 ARG 35 6.628 -5.049 -13.186 281 H ALA 36 HN ALA 36 10.459 0.083 -6.281 282 HA ALA 36 HA ALA 36 13.180 0.942 -5.996 283 HB1 ALA 36 HB1 ALA 36 11.321 2.081 -4.838 284 HB2 ALA 36 HB2 ALA 36 12.525 1.514 -3.682 285 HB3 ALA 36 HB3 ALA 36 11.011 0.626 -3.886 286 H GLY 37 HN GLY 37 11.533 -2.035 -5.513 287 HA2 GLY 37 HA2 GLY 37 12.233 -4.121 -4.852 288 HA3 GLY 37 HA1 GLY 37 13.852 -3.467 -4.615 289 H ARG 38 HN ARG 38 11.303 -1.786 -3.056 290 HA ARG 38 HA ARG 38 12.190 -2.727 -0.422 291 HB2 ARG 38 HB2 ARG 38 12.113 -0.236 -1.005 292 HB3 ARG 38 HB1 ARG 38 10.364 -0.361 -1.067 293 HG2 ARG 38 HG2 ARG 38 10.872 0.547 1.069 294 HG3 ARG 38 HG1 ARG 38 10.454 -1.142 1.367 295 HD2 ARG 38 HD2 ARG 38 13.291 -0.049 1.172 296 HD3 ARG 38 HD1 ARG 38 12.426 -0.373 2.674 297 HE ARG 38 HE ARG 38 12.360 -2.764 1.896 298 HH11 ARG 38 HH11 ARG 38 16.094 -1.948 0.692 299 HH12 ARG 38 HH12 ARG 38 14.978 -0.642 0.932 300 HH21 ARG 38 HH21 ARG 38 13.821 -4.462 1.550 301 HH22 ARG 38 HH22 ARG 38 15.443 -4.110 1.039 302 H CYS 39 HN CYS 39 10.993 -4.301 0.513 303 HA CYS 39 HA CYS 39 8.394 -5.051 -0.408 304 HB2 CYS 39 HB2 CYS 39 9.842 -5.871 2.145 305 HB3 CYS 39 HB1 CYS 39 8.391 -6.639 1.495 306 HG CYS 39 HG CYS 39 9.981 -7.077 -1.014 307 H ILE 40 HN ILE 40 6.642 -3.933 -0.035 308 HA ILE 40 HA ILE 40 6.449 -2.015 2.192 309 HB ILE 40 HB ILE 40 4.934 -2.266 -0.447 310 HG12 ILE 40 HG12 ILE 40 7.221 -1.459 -0.759 311 HG13 ILE 40 HG11 ILE 40 6.083 -0.163 -1.079 312 HG21 ILE 40 HG21 ILE 40 4.549 -0.139 1.658 313 HG22 ILE 40 HG22 ILE 40 3.409 -1.424 1.264 314 HG23 ILE 40 HG23 ILE 40 3.787 -0.189 0.068 315 HD11 ILE 40 HD11 ILE 40 7.773 -0.487 1.406 316 HD12 ILE 40 HD12 ILE 40 6.595 0.800 1.137 317 HD13 ILE 40 HD13 ILE 40 8.019 0.676 0.102 318 H ASP 41 HN ASP 41 4.691 -2.045 3.598 319 HA ASP 41 HA ASP 41 3.001 -4.481 3.576 320 HB2 ASP 41 HB2 ASP 41 4.648 -4.322 5.440 321 HB3 ASP 41 HB1 ASP 41 3.905 -2.811 5.957 322 H ILE 42 HN ILE 42 1.043 -3.990 2.861 323 HA ILE 42 HA ILE 42 -0.185 -1.374 3.106 324 HB ILE 42 HB ILE 42 -1.219 -4.001 1.932 325 HG12 ILE 42 HG12 ILE 42 0.616 -3.004 0.632 326 HG13 ILE 42 HG11 ILE 42 -0.892 -2.876 -0.262 327 HG21 ILE 42 HG21 ILE 42 -3.159 -2.679 2.686 328 HG22 ILE 42 HG22 ILE 42 -3.088 -2.709 0.925 329 HG23 ILE 42 HG23 ILE 42 -2.566 -1.270 1.805 330 HD11 ILE 42 HD11 ILE 42 -1.068 -0.505 0.393 331 HD12 ILE 42 HD12 ILE 42 0.418 -0.840 -0.492 332 HD13 ILE 42 HD13 ILE 42 0.465 -0.634 1.259 333 H GLU 43 HN GLU 43 -1.661 -0.776 4.500 334 HA GLU 43 HA GLU 43 -2.448 -2.462 6.747 335 HB2 GLU 43 HB2 GLU 43 -1.617 -0.252 7.263 336 HB3 GLU 43 HB1 GLU 43 -2.696 0.515 6.108 337 HG2 GLU 43 HG2 GLU 43 -4.629 0.024 7.512 338 HG3 GLU 43 HG1 GLU 43 -3.620 -0.892 8.632 339 H LEU 44 HN LEU 44 -4.013 -3.885 5.974 340 HA LEU 44 HA LEU 44 -6.440 -2.788 4.684 341 HB2 LEU 44 HB2 LEU 44 -5.521 -4.820 3.636 342 HB3 LEU 44 HB1 LEU 44 -5.579 -5.678 5.170 343 HG LEU 44 HG LEU 44 -8.072 -5.528 5.164 344 HD11 LEU 44 HD11 LEU 44 -8.366 -3.483 3.864 345 HD12 LEU 44 HD12 LEU 44 -9.291 -4.811 3.170 346 HD13 LEU 44 HD13 LEU 44 -7.777 -4.306 2.411 347 HD21 LEU 44 HD21 LEU 44 -6.987 -7.529 4.206 348 HD22 LEU 44 HD22 LEU 44 -7.008 -6.775 2.610 349 HD23 LEU 44 HD23 LEU 44 -8.524 -7.172 3.425 350 H TYR 45 HN TYR 45 -7.913 -2.063 6.074 351 HA TYR 45 HA TYR 45 -8.354 -2.946 8.753 352 HB2 TYR 45 HB2 TYR 45 -9.993 -1.257 6.830 353 HB3 TYR 45 HB1 TYR 45 -10.498 -1.574 8.485 354 HD1 TYR 45 HD1 TYR 45 -9.793 -0.099 10.203 355 HD2 TYR 45 HD2 TYR 45 -7.620 -0.143 6.518 356 HE1 TYR 45 HE1 TYR 45 -8.469 1.825 10.960 357 HE2 TYR 45 HE2 TYR 45 -6.298 1.786 7.278 358 HH TYR 45 HH TYR 45 -6.208 3.489 8.853 359 H THR 46 HN THR 46 -10.401 -3.888 9.519 360 HA THR 46 HA THR 46 -10.885 -6.427 8.388 361 HB THR 46 HB THR 46 -12.596 -4.960 10.452 362 HG1 THR 46 HG1 THR 46 -11.159 -6.210 11.915 363 HG21 THR 46 HG21 THR 46 -13.646 -7.056 9.599 364 HG22 THR 46 HG22 THR 46 -13.171 -7.213 11.290 365 HG23 THR 46 HG23 THR 46 -12.185 -7.953 10.028 366 H ASP 47 HN ASP 47 -12.630 -3.376 8.087 367 HA ASP 47 HA ASP 47 -15.003 -4.458 6.873 368 HB2 ASP 47 HB2 ASP 47 -15.735 -2.168 6.613 369 HB3 ASP 47 HB1 ASP 47 -14.969 -2.323 8.190 370 H GLY 48 HN GLY 48 -11.890 -3.635 5.671 371 HA2 GLY 48 HA2 GLY 48 -11.245 -4.391 3.466 372 HA3 GLY 48 HA1 GLY 48 -12.824 -3.901 2.871 373 H ARG 49 HN ARG 49 -11.819 -1.509 4.977 374 HA ARG 49 HA ARG 49 -11.048 0.346 2.927 375 HB2 ARG 49 HB2 ARG 49 -12.218 1.042 5.001 376 HB3 ARG 49 HB1 ARG 49 -10.828 0.563 5.958 377 HG2 ARG 49 HG2 ARG 49 -10.839 2.963 5.753 378 HG3 ARG 49 HG1 ARG 49 -9.471 2.342 4.827 379 HD2 ARG 49 HD2 ARG 49 -10.610 4.143 3.599 380 HD3 ARG 49 HD1 ARG 49 -10.768 2.610 2.741 381 HE ARG 49 HE ARG 49 -13.038 2.644 3.085 382 HH11 ARG 49 HH11 ARG 49 -11.645 5.181 5.082 383 HH12 ARG 49 HH12 ARG 49 -13.191 5.865 5.474 384 HH21 ARG 49 HH21 ARG 49 -15.103 4.962 4.641 385 HH22 ARG 49 HH22 ARG 49 -15.034 3.570 3.603 386 H VAL 50 HN VAL 50 -8.974 1.126 2.424 387 HA VAL 50 HA VAL 50 -6.692 0.158 4.034 388 HB VAL 50 HB VAL 50 -5.277 0.146 1.920 389 HG11 VAL 50 HG11 VAL 50 -6.002 -1.943 2.982 390 HG12 VAL 50 HG12 VAL 50 -5.921 -2.109 1.231 391 HG13 VAL 50 HG13 VAL 50 -7.488 -1.933 2.025 392 HG21 VAL 50 HG21 VAL 50 -6.404 -0.144 -0.269 393 HG22 VAL 50 HG22 VAL 50 -6.755 1.438 0.428 394 HG23 VAL 50 HG23 VAL 50 -7.972 0.161 0.490 395 H GLU 51 HN GLU 51 -5.103 1.543 4.380 396 HA GLU 51 HA GLU 51 -4.812 3.997 2.814 397 HB2 GLU 51 HB2 GLU 51 -6.224 4.661 4.777 398 HB3 GLU 51 HB1 GLU 51 -5.004 4.022 5.873 399 HG2 GLU 51 HG2 GLU 51 -3.398 5.710 5.099 400 HG3 GLU 51 HG1 GLU 51 -4.575 6.326 3.938 401 H CYS 52 HN CYS 52 -2.679 4.085 2.313 402 HA CYS 52 HA CYS 52 -0.888 2.190 3.650 403 HB2 CYS 52 HB2 CYS 52 -1.047 2.191 1.150 404 HB3 CYS 52 HB1 CYS 52 -0.354 3.812 1.122 405 HG CYS 52 HG CYS 52 1.699 2.161 0.423 406 H ARG 53 HN ARG 53 -0.466 3.224 5.534 407 HA ARG 53 HA ARG 53 0.640 5.719 6.083 408 HB2 ARG 53 HB2 ARG 53 1.845 4.466 7.962 409 HB3 ARG 53 HB1 ARG 53 0.107 4.177 7.868 410 HG2 ARG 53 HG2 ARG 53 0.456 2.044 6.774 411 HG3 ARG 53 HG1 ARG 53 2.187 2.339 6.653 412 HD2 ARG 53 HD2 ARG 53 2.326 2.273 9.146 413 HD3 ARG 53 HD1 ARG 53 0.605 1.863 9.193 414 HE ARG 53 HE ARG 53 1.143 -0.283 8.638 415 HH11 ARG 53 HH11 ARG 53 4.865 0.358 7.225 416 HH12 ARG 53 HH12 ARG 53 3.893 1.711 7.689 417 HH21 ARG 53 HH21 ARG 53 4.038 -1.752 7.376 418 HH22 ARG 53 HH22 ARG 53 2.425 -2.040 7.949 419 H GLU 54 HN GLU 54 2.009 3.014 4.404 420 HA GLU 54 HA GLU 54 4.791 3.716 4.629 421 HB2 GLU 54 HB2 GLU 54 3.581 1.376 4.317 422 HB3 GLU 54 HB1 GLU 54 3.651 1.772 2.608 423 HG2 GLU 54 HG2 GLU 54 5.521 0.415 3.055 424 HG3 GLU 54 HG1 GLU 54 6.145 2.050 2.870 425 H LEU 55 HN LEU 55 2.179 4.712 2.620 426 HA LEU 55 HA LEU 55 3.964 5.879 0.581 427 HB2 LEU 55 HB2 LEU 55 2.620 3.893 -0.234 428 HB3 LEU 55 HB1 LEU 55 1.157 4.778 0.116 429 HG LEU 55 HG LEU 55 1.937 4.651 -2.357 430 HD11 LEU 55 HD11 LEU 55 1.155 6.915 -2.914 431 HD12 LEU 55 HD12 LEU 55 1.331 7.409 -1.230 432 HD13 LEU 55 HD13 LEU 55 0.142 6.181 -1.673 433 HD21 LEU 55 HD21 LEU 55 3.594 6.291 -3.117 434 HD22 LEU 55 HD22 LEU 55 4.322 5.157 -1.983 435 HD23 LEU 55 HD23 LEU 55 3.900 6.784 -1.450 436 H ARG 56 HN ARG 56 4.042 7.887 1.524 437 HA ARG 56 HA ARG 56 1.695 9.488 2.027 438 HB2 ARG 56 HB2 ARG 56 4.637 10.183 1.659 439 HB3 ARG 56 HB1 ARG 56 3.396 11.415 1.895 440 HG2 ARG 56 HG2 ARG 56 2.787 10.243 4.069 441 HG3 ARG 56 HG1 ARG 56 4.232 9.250 3.852 442 HD2 ARG 56 HD2 ARG 56 5.661 11.218 3.948 443 HD3 ARG 56 HD1 ARG 56 4.250 12.285 3.967 444 HE ARG 56 HE ARG 56 4.302 10.406 6.161 445 HH11 ARG 56 HH11 ARG 56 5.474 13.581 5.144 446 HH12 ARG 56 HH12 ARG 56 5.683 14.150 6.767 447 HH21 ARG 56 HH21 ARG 56 4.544 11.190 8.273 448 HH22 ARG 56 HH22 ARG 56 5.154 12.790 8.551 449 HA PRO 57 HA PRO 57 1.050 10.981 -2.291 450 HB2 PRO 57 HB2 PRO 57 -0.043 13.455 -1.699 451 HB3 PRO 57 HB1 PRO 57 -0.960 11.937 -1.625 452 HG2 PRO 57 HG2 PRO 57 0.351 13.454 0.615 453 HG3 PRO 57 HG1 PRO 57 -1.274 12.728 0.547 454 HD2 PRO 57 HD2 PRO 57 0.744 11.482 1.804 455 HD3 PRO 57 HD1 PRO 57 -0.467 10.560 0.886 456 H ASP 58 HN ASP 58 3.026 12.388 0.125 457 HA ASP 58 HA ASP 58 4.102 14.670 -1.153 458 HB2 ASP 58 HB2 ASP 58 5.295 12.889 1.028 459 HB3 ASP 58 HB1 ASP 58 5.910 14.482 0.586 460 H VAL 59 HN VAL 59 4.686 11.327 -1.550 461 HA VAL 59 HA VAL 59 7.294 11.081 -2.400 462 HB VAL 59 HB VAL 59 4.742 9.614 -3.207 463 HG11 VAL 59 HG11 VAL 59 7.605 8.760 -3.873 464 HG12 VAL 59 HG12 VAL 59 6.361 9.237 -5.029 465 HG13 VAL 59 HG13 VAL 59 6.161 7.760 -4.091 466 HG21 VAL 59 HG21 VAL 59 5.599 7.862 -1.658 467 HG22 VAL 59 HG22 VAL 59 5.387 9.410 -0.845 468 HG23 VAL 59 HG23 VAL 59 7.006 8.867 -1.293 469 H PHE 60 HN PHE 60 4.506 12.257 -4.273 470 HA PHE 60 HA PHE 60 6.193 13.310 -6.367 471 HB2 PHE 60 HB2 PHE 60 5.290 12.011 -8.226 472 HB3 PHE 60 HB1 PHE 60 6.023 10.927 -7.062 473 HD1 PHE 60 HD1 PHE 60 3.952 10.455 -5.080 474 HD2 PHE 60 HD2 PHE 60 3.587 10.865 -9.313 475 HE1 PHE 60 HE1 PHE 60 1.902 9.097 -5.045 476 HE2 PHE 60 HE2 PHE 60 1.537 9.513 -9.268 477 HZ PHE 60 HZ PHE 60 0.691 8.629 -7.134 478 H GLY 61 HN GLY 61 4.180 13.676 -8.368 479 HA2 GLY 61 HA2 GLY 61 2.701 15.896 -7.504 480 HA3 GLY 61 HA1 GLY 61 2.395 14.992 -8.979 481 H ALA 62 HN ALA 62 1.898 12.493 -7.424 482 HA ALA 62 HA ALA 62 0.528 11.344 -6.078 483 HB1 ALA 62 HB1 ALA 62 -0.583 12.452 -4.198 484 HB2 ALA 62 HB2 ALA 62 -0.279 14.027 -4.932 485 HB3 ALA 62 HB3 ALA 62 1.077 13.038 -4.388 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -5.128 -3.989 13.598 2 H2 MET 1 HT2 MET 1 -6.566 -4.186 12.733 3 H3 MET 1 HT3 MET 1 -5.969 -2.635 13.040 4 HA MET 1 HA MET 1 -5.597 -3.297 10.775 5 HB2 MET 1 HB2 MET 1 -3.212 -2.712 10.654 6 HB3 MET 1 HB1 MET 1 -4.029 -1.720 11.851 7 HG2 MET 1 HG2 MET 1 -3.087 -3.104 13.660 8 HG3 MET 1 HG1 MET 1 -2.282 -4.121 12.460 9 HE1 MET 1 HE1 MET 1 -0.689 -2.804 14.873 10 HE2 MET 1 HE2 MET 1 0.733 -2.160 14.052 11 HE3 MET 1 HE3 MET 1 0.113 -3.753 13.619 12 H LYS 2 HN LYS 2 -4.664 -4.696 9.277 13 HA LYS 2 HA LYS 2 -3.688 -7.324 10.240 14 HB2 LYS 2 HB2 LYS 2 -5.463 -6.754 7.823 15 HB3 LYS 2 HB1 LYS 2 -4.827 -8.329 8.248 16 HG2 LYS 2 HG2 LYS 2 -6.624 -6.837 10.161 17 HG3 LYS 2 HG1 LYS 2 -7.304 -7.727 8.805 18 HD2 LYS 2 HD2 LYS 2 -7.407 -9.179 10.701 19 HD3 LYS 2 HD1 LYS 2 -6.129 -9.797 9.660 20 HE2 LYS 2 HE2 LYS 2 -4.439 -8.797 11.130 21 HE3 LYS 2 HE1 LYS 2 -5.705 -8.113 12.148 22 HZ1 LYS 2 HZ1 LYS 2 -4.804 -10.135 13.099 23 HZ2 LYS 2 HZ2 LYS 2 -5.213 -11.012 11.712 24 HZ3 LYS 2 HZ3 LYS 2 -6.426 -10.354 12.684 25 H LYS 3 HN LYS 3 -1.683 -7.707 9.569 26 HA LYS 3 HA LYS 3 -0.349 -5.949 7.680 27 HB2 LYS 3 HB2 LYS 3 1.689 -7.149 8.363 28 HB3 LYS 3 HB1 LYS 3 0.765 -6.651 9.774 29 HG2 LYS 3 HG2 LYS 3 -0.073 -8.923 10.077 30 HG3 LYS 3 HG1 LYS 3 0.752 -9.450 8.606 31 HD2 LYS 3 HD2 LYS 3 2.945 -8.777 9.732 32 HD3 LYS 3 HD1 LYS 3 2.013 -8.543 11.218 33 HE2 LYS 3 HE2 LYS 3 3.078 -10.768 11.151 34 HE3 LYS 3 HE1 LYS 3 1.316 -10.906 11.171 35 HZ1 LYS 3 HZ1 LYS 3 1.365 -11.237 8.763 36 HZ2 LYS 3 HZ2 LYS 3 2.284 -12.405 9.555 37 HZ3 LYS 3 HZ3 LYS 3 3.052 -11.131 8.761 38 H ILE 4 HN ILE 4 0.170 -6.426 5.598 39 HA ILE 4 HA ILE 4 0.053 -9.200 4.581 40 HB ILE 4 HB ILE 4 -1.305 -6.853 3.206 41 HG12 ILE 4 HG12 ILE 4 -2.434 -9.302 4.582 42 HG13 ILE 4 HG11 ILE 4 -2.843 -7.611 4.849 43 HG21 ILE 4 HG21 ILE 4 -1.126 -9.674 2.126 44 HG22 ILE 4 HG22 ILE 4 -0.195 -8.297 1.540 45 HG23 ILE 4 HG23 ILE 4 -1.950 -8.302 1.366 46 HD11 ILE 4 HD11 ILE 4 -4.657 -8.609 3.744 47 HD12 ILE 4 HD12 ILE 4 -3.611 -9.353 2.536 48 HD13 ILE 4 HD13 ILE 4 -3.841 -7.601 2.543 49 HA PRO 5 HA PRO 5 3.846 -7.711 2.510 50 HB2 PRO 5 HB2 PRO 5 3.586 -10.122 0.753 51 HB3 PRO 5 HB1 PRO 5 4.866 -9.722 1.917 52 HG2 PRO 5 HG2 PRO 5 3.104 -11.719 2.367 53 HG3 PRO 5 HG1 PRO 5 3.775 -10.736 3.693 54 HD2 PRO 5 HD2 PRO 5 1.077 -10.481 2.338 55 HD3 PRO 5 HD1 PRO 5 1.473 -10.418 4.067 56 H LEU 6 HN LEU 6 3.998 -6.320 0.764 57 HA LEU 6 HA LEU 6 1.852 -5.351 -0.635 58 HB2 LEU 6 HB2 LEU 6 3.963 -4.144 -0.482 59 HB3 LEU 6 HB1 LEU 6 4.776 -5.355 -1.456 60 HG LEU 6 HG LEU 6 3.347 -4.671 -3.420 61 HD11 LEU 6 HD11 LEU 6 1.426 -3.746 -2.246 62 HD12 LEU 6 HD12 LEU 6 2.113 -2.568 -3.358 63 HD13 LEU 6 HD13 LEU 6 2.413 -2.420 -1.624 64 HD21 LEU 6 HD21 LEU 6 4.975 -2.417 -2.217 65 HD22 LEU 6 HD22 LEU 6 4.549 -2.612 -3.920 66 HD23 LEU 6 HD23 LEU 6 5.618 -3.776 -3.143 67 H SER 7 HN SER 7 4.199 -7.771 -1.741 68 HA SER 7 HA SER 7 3.391 -8.104 -4.368 69 HB2 SER 7 HB2 SER 7 4.525 -10.248 -2.533 70 HB3 SER 7 HB1 SER 7 4.616 -10.214 -4.293 71 HG SER 7 HG SER 7 5.818 -8.218 -4.048 72 H LYS 8 HN LYS 8 2.380 -10.065 -1.517 73 HA LYS 8 HA LYS 8 0.521 -11.678 -2.972 74 HB2 LYS 8 HB2 LYS 8 0.858 -11.280 0.025 75 HB3 LYS 8 HB1 LYS 8 -0.229 -12.466 -0.699 76 HG2 LYS 8 HG2 LYS 8 1.836 -13.407 -1.904 77 HG3 LYS 8 HG1 LYS 8 2.797 -12.404 -0.812 78 HD2 LYS 8 HD2 LYS 8 1.831 -13.567 1.132 79 HD3 LYS 8 HD1 LYS 8 0.802 -14.525 0.061 80 HE2 LYS 8 HE2 LYS 8 2.801 -15.554 -0.947 81 HE3 LYS 8 HE1 LYS 8 3.837 -14.586 0.105 82 HZ1 LYS 8 HZ1 LYS 8 1.915 -16.688 0.943 83 HZ2 LYS 8 HZ2 LYS 8 2.744 -15.681 2.020 84 HZ3 LYS 8 HZ3 LYS 8 3.603 -16.751 1.033 85 H TYR 9 HN TYR 9 0.237 -8.599 -1.348 86 HA TYR 9 HA TYR 9 -2.614 -8.486 -1.306 87 HB2 TYR 9 HB2 TYR 9 -1.345 -6.865 0.026 88 HB3 TYR 9 HB1 TYR 9 -0.572 -6.214 -1.402 89 HD1 TYR 9 HD1 TYR 9 -3.698 -6.331 0.557 90 HD2 TYR 9 HD2 TYR 9 -1.822 -4.693 -2.923 91 HE1 TYR 9 HE1 TYR 9 -5.562 -4.796 0.261 92 HE2 TYR 9 HE2 TYR 9 -3.701 -3.159 -3.206 93 HH TYR 9 HH TYR 9 -6.142 -2.750 -0.837 94 H LEU 10 HN LEU 10 -0.144 -7.486 -3.672 95 HA LEU 10 HA LEU 10 -1.888 -6.304 -5.563 96 HB2 LEU 10 HB2 LEU 10 0.930 -7.408 -5.881 97 HB3 LEU 10 HB1 LEU 10 0.092 -6.497 -7.129 98 HG LEU 10 HG LEU 10 0.891 -5.420 -4.395 99 HD11 LEU 10 HD11 LEU 10 2.517 -4.050 -5.629 100 HD12 LEU 10 HD12 LEU 10 2.067 -4.853 -7.136 101 HD13 LEU 10 HD13 LEU 10 2.825 -5.775 -5.831 102 HD21 LEU 10 HD21 LEU 10 -0.467 -3.997 -6.707 103 HD22 LEU 10 HD22 LEU 10 0.172 -3.216 -5.258 104 HD23 LEU 10 HD23 LEU 10 -1.165 -4.353 -5.125 105 H GLU 11 HN GLU 11 -0.958 -9.615 -5.005 106 HA GLU 11 HA GLU 11 -1.854 -10.564 -7.605 107 HB2 GLU 11 HB2 GLU 11 -1.064 -12.162 -5.124 108 HB3 GLU 11 HB1 GLU 11 -1.279 -12.801 -6.749 109 HG2 GLU 11 HG2 GLU 11 0.898 -10.956 -5.769 110 HG3 GLU 11 HG1 GLU 11 1.073 -12.614 -6.320 111 H GLU 12 HN GLU 12 -2.922 -10.886 -4.188 112 HA GLU 12 HA GLU 12 -5.237 -12.468 -5.105 113 HB2 GLU 12 HB2 GLU 12 -3.784 -13.530 -3.453 114 HB3 GLU 12 HB1 GLU 12 -3.968 -12.173 -2.345 115 HG2 GLU 12 HG2 GLU 12 -5.311 -14.108 -1.643 116 HG3 GLU 12 HG1 GLU 12 -6.333 -12.724 -2.016 117 H HIS 13 HN HIS 13 -4.523 -9.566 -3.172 118 HA HIS 13 HA HIS 13 -7.301 -9.422 -2.223 119 HB2 HIS 13 HB2 HIS 13 -4.742 -7.998 -1.425 120 HB3 HIS 13 HB1 HIS 13 -6.312 -7.528 -0.782 121 HD1 HIS 13 HD1 HIS 13 -7.073 -8.736 1.236 122 HD2 HIS 13 HD2 HIS 13 -4.107 -10.829 -0.787 123 HE1 HIS 13 HE1 HIS 13 -6.474 -10.650 2.719 124 HE2 HIS 13 HE2 HIS 13 -4.776 -11.992 1.427 125 H GLY 14 HN GLY 14 -5.156 -7.662 -4.364 126 HA2 GLY 14 HA2 GLY 14 -7.235 -6.150 -5.582 127 HA3 GLY 14 HA1 GLY 14 -6.333 -5.144 -4.449 128 H THR 15 HN THR 15 -6.369 -4.618 -7.223 129 HA THR 15 HA THR 15 -3.814 -5.573 -8.319 130 HB THR 15 HB THR 15 -4.545 -4.101 -10.325 131 HG1 THR 15 HG1 THR 15 -7.149 -4.285 -9.284 132 HG21 THR 15 HG21 THR 15 -6.301 -6.447 -9.520 133 HG22 THR 15 HG22 THR 15 -4.751 -6.550 -10.359 134 HG23 THR 15 HG23 THR 15 -6.137 -5.805 -11.156 135 H GLN 16 HN GLN 16 -2.631 -3.735 -9.592 136 HA GLN 16 HA GLN 16 -1.431 -2.074 -7.587 137 HB2 GLN 16 HB2 GLN 16 -0.849 -2.144 -10.590 138 HB3 GLN 16 HB1 GLN 16 0.152 -1.376 -9.369 139 HG2 GLN 16 HG2 GLN 16 1.223 -3.417 -9.985 140 HG3 GLN 16 HG1 GLN 16 0.547 -3.663 -8.373 141 HE21 GLN 16 HE21 GLN 16 -1.067 -5.224 -8.109 142 HE22 GLN 16 HE22 GLN 16 -1.524 -6.327 -9.358 143 H SER 17 HN SER 17 -3.441 -1.590 -10.439 144 HA SER 17 HA SER 17 -3.697 1.221 -10.450 145 HB2 SER 17 HB2 SER 17 -5.798 -0.854 -11.216 146 HB3 SER 17 HB1 SER 17 -5.725 0.818 -11.779 147 HG SER 17 HG SER 17 -4.353 0.236 -13.256 148 H ALA 18 HN ALA 18 -5.585 -1.327 -8.872 149 HA ALA 18 HA ALA 18 -7.617 0.236 -7.716 150 HB1 ALA 18 HB1 ALA 18 -7.733 -2.218 -7.985 151 HB2 ALA 18 HB2 ALA 18 -8.082 -1.713 -6.329 152 HB3 ALA 18 HB3 ALA 18 -6.506 -2.406 -6.727 153 H LEU 19 HN LEU 19 -4.486 -0.866 -6.525 154 HA LEU 19 HA LEU 19 -4.837 0.027 -3.849 155 HB2 LEU 19 HB2 LEU 19 -3.244 -1.759 -4.365 156 HB3 LEU 19 HB1 LEU 19 -2.300 -0.679 -5.381 157 HG LEU 19 HG LEU 19 -1.608 0.629 -3.405 158 HD11 LEU 19 HD11 LEU 19 -3.584 0.421 -1.997 159 HD12 LEU 19 HD12 LEU 19 -2.138 -0.054 -1.116 160 HD13 LEU 19 HD13 LEU 19 -3.245 -1.291 -1.719 161 HD21 LEU 19 HD21 LEU 19 -0.180 -1.044 -2.314 162 HD22 LEU 19 HD22 LEU 19 -0.220 -1.275 -4.059 163 HD23 LEU 19 HD23 LEU 19 -1.152 -2.346 -3.008 164 H ALA 20 HN ALA 20 -3.172 1.344 -6.706 165 HA ALA 20 HA ALA 20 -2.264 3.795 -5.719 166 HB1 ALA 20 HB1 ALA 20 -1.702 2.918 -7.953 167 HB2 ALA 20 HB2 ALA 20 -2.333 4.562 -8.056 168 HB3 ALA 20 HB3 ALA 20 -3.359 3.192 -8.495 169 H ALA 21 HN ALA 21 -5.470 2.931 -7.025 170 HA ALA 21 HA ALA 21 -6.669 5.498 -6.850 171 HB1 ALA 21 HB1 ALA 21 -8.799 4.293 -7.151 172 HB2 ALA 21 HB2 ALA 21 -7.981 2.758 -6.831 173 HB3 ALA 21 HB3 ALA 21 -7.564 3.700 -8.262 174 H ALA 22 HN ALA 22 -6.344 2.834 -4.590 175 HA ALA 22 HA ALA 22 -8.160 3.817 -2.592 176 HB1 ALA 22 HB1 ALA 22 -5.979 1.712 -2.362 177 HB2 ALA 22 HB2 ALA 22 -7.646 1.422 -2.867 178 HB3 ALA 22 HB3 ALA 22 -7.314 1.976 -1.227 179 H LEU 23 HN LEU 23 -4.786 4.345 -3.309 180 HA LEU 23 HA LEU 23 -4.244 5.624 -0.709 181 HB2 LEU 23 HB2 LEU 23 -2.378 5.169 -3.082 182 HB3 LEU 23 HB1 LEU 23 -1.906 5.729 -1.485 183 HG LEU 23 HG LEU 23 -3.016 2.970 -2.123 184 HD11 LEU 23 HD11 LEU 23 -0.755 3.256 -3.000 185 HD12 LEU 23 HD12 LEU 23 -0.786 2.107 -1.666 186 HD13 LEU 23 HD13 LEU 23 -0.182 3.745 -1.403 187 HD21 LEU 23 HD21 LEU 23 -2.403 2.394 0.216 188 HD22 LEU 23 HD22 LEU 23 -3.711 3.570 0.089 189 HD23 LEU 23 HD23 LEU 23 -2.080 4.105 0.516 190 H GLY 24 HN GLY 24 -5.296 6.442 -3.856 191 HA2 GLY 24 HA2 GLY 24 -5.921 8.467 -4.766 192 HA3 GLY 24 HA1 GLY 24 -5.309 9.280 -3.335 193 H VAL 25 HN VAL 25 -3.466 7.096 -5.371 194 HA VAL 25 HA VAL 25 -1.658 9.262 -6.264 195 HB VAL 25 HB VAL 25 0.282 7.913 -5.775 196 HG11 VAL 25 HG11 VAL 25 -1.545 7.655 -3.370 197 HG12 VAL 25 HG12 VAL 25 -0.715 9.139 -3.851 198 HG13 VAL 25 HG13 VAL 25 0.219 7.729 -3.365 199 HG21 VAL 25 HG21 VAL 25 -0.539 5.679 -6.388 200 HG22 VAL 25 HG22 VAL 25 -1.580 5.635 -4.966 201 HG23 VAL 25 HG23 VAL 25 0.176 5.630 -4.776 202 H ASN 26 HN ASN 26 -0.113 8.364 -8.000 203 HA ASN 26 HA ASN 26 -1.565 6.930 -10.093 204 HB2 ASN 26 HB2 ASN 26 -0.160 8.932 -10.632 205 HB3 ASN 26 HB1 ASN 26 1.265 8.095 -10.039 206 HD21 ASN 26 HD21 ASN 26 2.341 8.263 -12.004 207 HD22 ASN 26 HD22 ASN 26 1.882 7.364 -13.408 208 H GLN 27 HN GLN 27 -0.607 5.048 -11.144 209 HA GLN 27 HA GLN 27 -0.024 2.887 -9.448 210 HB2 GLN 27 HB2 GLN 27 0.616 3.049 -12.425 211 HB3 GLN 27 HB1 GLN 27 0.358 1.579 -11.492 212 HG2 GLN 27 HG2 GLN 27 -1.986 2.053 -11.254 213 HG3 GLN 27 HG1 GLN 27 -1.791 3.671 -11.925 214 HE21 GLN 27 HE21 GLN 27 0.036 2.759 -14.073 215 HE22 GLN 27 HE22 GLN 27 -0.970 1.955 -15.220 216 H SER 28 HN SER 28 2.080 5.096 -11.149 217 HA SER 28 HA SER 28 4.483 3.684 -11.244 218 HB2 SER 28 HB2 SER 28 4.045 5.754 -12.512 219 HB3 SER 28 HB1 SER 28 4.052 6.697 -11.025 220 HG SER 28 HG SER 28 6.058 6.878 -11.979 221 H ALA 29 HN ALA 29 3.006 5.398 -8.541 222 HA ALA 29 HA ALA 29 5.205 5.480 -6.755 223 HB1 ALA 29 HB1 ALA 29 3.486 5.639 -4.988 224 HB2 ALA 29 HB2 ALA 29 2.240 5.191 -6.155 225 HB3 ALA 29 HB3 ALA 29 3.120 6.711 -6.338 226 H ILE 30 HN ILE 30 2.594 3.054 -7.078 227 HA ILE 30 HA ILE 30 3.604 1.214 -5.196 228 HB ILE 30 HB ILE 30 1.632 0.898 -7.506 229 HG12 ILE 30 HG12 ILE 30 -0.005 0.487 -5.595 230 HG13 ILE 30 HG11 ILE 30 1.281 0.896 -4.468 231 HG21 ILE 30 HG21 ILE 30 2.389 -1.299 -5.555 232 HG22 ILE 30 HG22 ILE 30 2.691 -1.292 -7.295 233 HG23 ILE 30 HG23 ILE 30 1.037 -1.345 -6.687 234 HD11 ILE 30 HD11 ILE 30 1.354 3.148 -5.395 235 HD12 ILE 30 HD12 ILE 30 -0.260 2.720 -4.816 236 HD13 ILE 30 HD13 ILE 30 0.091 2.704 -6.545 237 H SER 31 HN SER 31 3.949 1.366 -8.744 238 HA SER 31 HA SER 31 5.444 -0.986 -9.157 239 HB2 SER 31 HB2 SER 31 5.445 1.588 -10.809 240 HB3 SER 31 HB1 SER 31 5.947 -0.009 -11.374 241 HG SER 31 HG SER 31 3.882 -0.687 -11.351 242 H GLN 32 HN GLN 32 6.453 2.303 -8.279 243 HA GLN 32 HA GLN 32 9.273 1.960 -8.495 244 HB2 GLN 32 HB2 GLN 32 8.266 4.197 -8.296 245 HB3 GLN 32 HB1 GLN 32 7.619 3.806 -6.707 246 HG2 GLN 32 HG2 GLN 32 10.003 3.569 -5.892 247 HG3 GLN 32 HG1 GLN 32 10.535 4.180 -7.458 248 HE21 GLN 32 HE21 GLN 32 7.670 5.332 -5.690 249 HE22 GLN 32 HE22 GLN 32 8.296 6.905 -5.348 250 H MET 33 HN MET 33 7.015 1.633 -5.803 251 HA MET 33 HA MET 33 8.814 0.905 -3.755 252 HB2 MET 33 HB2 MET 33 5.863 0.295 -4.042 253 HB3 MET 33 HB1 MET 33 6.785 0.253 -2.546 254 HG2 MET 33 HG2 MET 33 7.135 2.876 -3.707 255 HG3 MET 33 HG1 MET 33 5.422 2.487 -3.732 256 HE1 MET 33 HE1 MET 33 5.398 0.476 -1.192 257 HE2 MET 33 HE2 MET 33 4.118 1.630 -1.610 258 HE3 MET 33 HE3 MET 33 4.790 1.612 0.022 259 H VAL 34 HN VAL 34 7.207 -0.950 -6.240 260 HA VAL 34 HA VAL 34 7.763 -3.588 -5.242 261 HB VAL 34 HB VAL 34 6.893 -2.508 -7.971 262 HG11 VAL 34 HG11 VAL 34 7.186 -5.435 -7.214 263 HG12 VAL 34 HG12 VAL 34 8.166 -4.560 -8.393 264 HG13 VAL 34 HG13 VAL 34 6.448 -4.814 -8.694 265 HG21 VAL 34 HG21 VAL 34 5.365 -4.108 -5.884 266 HG22 VAL 34 HG22 VAL 34 4.717 -3.524 -7.420 267 HG23 VAL 34 HG23 VAL 34 5.207 -2.376 -6.175 268 H ARG 35 HN ARG 35 9.124 -1.683 -7.973 269 HA ARG 35 HA ARG 35 11.130 -3.686 -8.521 270 HB2 ARG 35 HB2 ARG 35 10.715 -0.959 -9.815 271 HB3 ARG 35 HB1 ARG 35 11.790 -2.223 -10.405 272 HG2 ARG 35 HG2 ARG 35 9.692 -3.713 -10.605 273 HG3 ARG 35 HG1 ARG 35 8.762 -2.237 -10.332 274 HD2 ARG 35 HD2 ARG 35 10.618 -2.854 -12.649 275 HD3 ARG 35 HD1 ARG 35 8.877 -2.569 -12.703 276 HE ARG 35 HE ARG 35 9.717 -0.236 -11.755 277 HH11 ARG 35 HH11 ARG 35 10.935 -2.069 -14.504 278 HH12 ARG 35 HH12 ARG 35 11.495 -0.660 -15.343 279 HH21 ARG 35 HH21 ARG 35 11.265 1.415 -14.386 280 HH22 ARG 35 HH22 ARG 35 10.529 1.588 -12.822 281 H ALA 36 HN ALA 36 11.074 -1.056 -6.396 282 HA ALA 36 HA ALA 36 13.864 -0.378 -6.350 283 HB1 ALA 36 HB1 ALA 36 12.155 1.112 -5.383 284 HB2 ALA 36 HB2 ALA 36 13.354 0.671 -4.169 285 HB3 ALA 36 HB3 ALA 36 11.762 -0.098 -4.160 286 H GLY 37 HN GLY 37 12.066 -3.107 -5.256 287 HA2 GLY 37 HA2 GLY 37 12.627 -4.996 -4.055 288 HA3 GLY 37 HA1 GLY 37 14.284 -4.405 -3.963 289 H ARG 38 HN ARG 38 11.552 -2.515 -2.960 290 HA ARG 38 HA ARG 38 12.520 -2.339 -0.201 291 HB2 ARG 38 HB2 ARG 38 12.083 -0.277 -1.565 292 HB3 ARG 38 HB1 ARG 38 10.400 -0.744 -1.725 293 HG2 ARG 38 HG2 ARG 38 10.555 1.013 -0.102 294 HG3 ARG 38 HG1 ARG 38 10.128 -0.471 0.740 295 HD2 ARG 38 HD2 ARG 38 12.985 0.519 0.617 296 HD3 ARG 38 HD1 ARG 38 11.857 1.090 1.843 297 HE ARG 38 HE ARG 38 13.155 -1.485 1.712 298 HH11 ARG 38 HH11 ARG 38 10.250 -0.863 4.439 299 HH12 ARG 38 HH12 ARG 38 10.420 0.257 3.129 300 HH21 ARG 38 HH21 ARG 38 11.650 -2.652 4.618 301 HH22 ARG 38 HH22 ARG 38 12.899 -2.919 3.447 302 H CYS 39 HN CYS 39 11.611 -3.667 1.301 303 HA CYS 39 HA CYS 39 9.312 -5.291 0.784 304 HB2 CYS 39 HB2 CYS 39 11.137 -6.094 2.228 305 HB3 CYS 39 HB1 CYS 39 10.810 -4.808 3.387 306 HG CYS 39 HG CYS 39 9.714 -7.770 3.493 307 H ILE 40 HN ILE 40 7.258 -4.621 0.893 308 HA ILE 40 HA ILE 40 6.536 -2.305 2.606 309 HB ILE 40 HB ILE 40 5.182 -3.129 -0.014 310 HG12 ILE 40 HG12 ILE 40 7.433 -2.384 -0.553 311 HG13 ILE 40 HG11 ILE 40 6.277 -1.161 -1.065 312 HG21 ILE 40 HG21 ILE 40 4.049 -0.976 0.092 313 HG22 ILE 40 HG22 ILE 40 4.826 -0.623 1.636 314 HG23 ILE 40 HG23 ILE 40 3.681 -1.961 1.507 315 HD11 ILE 40 HD11 ILE 40 6.821 0.108 1.000 316 HD12 ILE 40 HD12 ILE 40 8.175 -0.109 -0.106 317 HD13 ILE 40 HD13 ILE 40 8.063 -1.097 1.348 318 H ASP 41 HN ASP 41 4.645 -2.431 3.801 319 HA ASP 41 HA ASP 41 3.185 -5.013 3.860 320 HB2 ASP 41 HB2 ASP 41 4.801 -4.835 5.751 321 HB3 ASP 41 HB1 ASP 41 4.054 -3.321 6.259 322 H ILE 42 HN ILE 42 1.135 -4.609 3.274 323 HA ILE 42 HA ILE 42 0.031 -1.920 3.344 324 HB ILE 42 HB ILE 42 -1.257 -4.508 2.323 325 HG12 ILE 42 HG12 ILE 42 0.821 -4.018 1.074 326 HG13 ILE 42 HG11 ILE 42 -0.586 -3.745 0.056 327 HG21 ILE 42 HG21 ILE 42 -2.931 -2.771 2.781 328 HG22 ILE 42 HG22 ILE 42 -2.752 -2.995 1.043 329 HG23 ILE 42 HG23 ILE 42 -2.018 -1.595 1.829 330 HD11 ILE 42 HD11 ILE 42 1.092 -2.030 -0.291 331 HD12 ILE 42 HD12 ILE 42 1.062 -1.609 1.418 332 HD13 ILE 42 HD13 ILE 42 -0.359 -1.319 0.412 333 H GLU 43 HN GLU 43 -0.997 -1.194 5.035 334 HA GLU 43 HA GLU 43 -1.995 -2.731 7.226 335 HB2 GLU 43 HB2 GLU 43 -2.593 0.198 6.565 336 HB3 GLU 43 HB1 GLU 43 -2.729 -0.580 8.140 337 HG2 GLU 43 HG2 GLU 43 -0.310 -0.835 8.283 338 HG3 GLU 43 HG1 GLU 43 -0.109 -0.209 6.648 339 H LEU 44 HN LEU 44 -3.646 -4.079 6.660 340 HA LEU 44 HA LEU 44 -6.005 -3.194 5.197 341 HB2 LEU 44 HB2 LEU 44 -4.877 -5.787 6.149 342 HB3 LEU 44 HB1 LEU 44 -6.622 -5.708 6.256 343 HG LEU 44 HG LEU 44 -5.840 -6.766 4.167 344 HD11 LEU 44 HD11 LEU 44 -7.338 -4.163 3.767 345 HD12 LEU 44 HD12 LEU 44 -8.024 -5.737 4.174 346 HD13 LEU 44 HD13 LEU 44 -7.264 -5.490 2.605 347 HD21 LEU 44 HD21 LEU 44 -4.744 -5.533 2.400 348 HD22 LEU 44 HD22 LEU 44 -3.757 -5.441 3.858 349 HD23 LEU 44 HD23 LEU 44 -4.734 -4.053 3.372 350 H TYR 45 HN TYR 45 -7.573 -2.134 6.183 351 HA TYR 45 HA TYR 45 -8.116 -2.436 9.064 352 HB2 TYR 45 HB2 TYR 45 -9.280 -0.483 7.016 353 HB3 TYR 45 HB1 TYR 45 -9.554 -0.445 8.757 354 HD1 TYR 45 HD1 TYR 45 -7.955 0.683 10.222 355 HD2 TYR 45 HD2 TYR 45 -6.942 -0.025 6.127 356 HE1 TYR 45 HE1 TYR 45 -5.950 2.103 10.458 357 HE2 TYR 45 HE2 TYR 45 -4.949 1.384 6.377 358 HH TYR 45 HH TYR 45 -4.147 3.216 7.813 359 H THR 46 HN THR 46 -10.094 -3.285 9.755 360 HA THR 46 HA THR 46 -11.026 -5.425 8.144 361 HB THR 46 HB THR 46 -12.533 -5.897 10.130 362 HG1 THR 46 HG1 THR 46 -12.905 -3.873 10.961 363 HG21 THR 46 HG21 THR 46 -10.244 -6.842 10.056 364 HG22 THR 46 HG22 THR 46 -10.693 -6.407 11.705 365 HG23 THR 46 HG23 THR 46 -9.604 -5.367 10.788 366 H ASP 47 HN ASP 47 -12.180 -2.206 8.395 367 HA ASP 47 HA ASP 47 -14.937 -2.721 7.675 368 HB2 ASP 47 HB2 ASP 47 -15.222 -0.341 7.659 369 HB3 ASP 47 HB1 ASP 47 -14.154 -0.706 9.006 370 H GLY 48 HN GLY 48 -11.979 -2.512 5.983 371 HA2 GLY 48 HA2 GLY 48 -11.999 -3.396 3.698 372 HA3 GLY 48 HA1 GLY 48 -13.357 -2.337 3.353 373 H ARG 49 HN ARG 49 -11.389 -0.458 5.232 374 HA ARG 49 HA ARG 49 -10.197 0.984 3.045 375 HB2 ARG 49 HB2 ARG 49 -10.347 1.299 6.006 376 HB3 ARG 49 HB1 ARG 49 -8.802 1.820 5.352 377 HG2 ARG 49 HG2 ARG 49 -10.351 3.695 5.552 378 HG3 ARG 49 HG1 ARG 49 -9.932 3.409 3.864 379 HD2 ARG 49 HD2 ARG 49 -12.086 2.370 3.446 380 HD3 ARG 49 HD1 ARG 49 -12.497 2.412 5.162 381 HE ARG 49 HE ARG 49 -12.248 4.777 3.401 382 HH11 ARG 49 HH11 ARG 49 -13.689 3.235 6.230 383 HH12 ARG 49 HH12 ARG 49 -14.718 4.591 6.587 384 HH21 ARG 49 HH21 ARG 49 -14.608 6.492 5.269 385 HH22 ARG 49 HH22 ARG 49 -13.506 6.570 3.933 386 H VAL 50 HN VAL 50 -8.101 0.916 2.266 387 HA VAL 50 HA VAL 50 -6.115 -0.822 3.618 388 HB VAL 50 HB VAL 50 -5.175 -1.541 1.472 389 HG11 VAL 50 HG11 VAL 50 -6.899 -2.960 2.454 390 HG12 VAL 50 HG12 VAL 50 -6.947 -3.059 0.696 391 HG13 VAL 50 HG13 VAL 50 -8.157 -2.103 1.561 392 HG21 VAL 50 HG21 VAL 50 -6.276 -1.121 -0.701 393 HG22 VAL 50 HG22 VAL 50 -5.732 0.379 0.047 394 HG23 VAL 50 HG23 VAL 50 -7.442 -0.050 0.092 395 H GLU 51 HN GLU 51 -4.277 0.224 4.066 396 HA GLU 51 HA GLU 51 -3.510 2.656 2.570 397 HB2 GLU 51 HB2 GLU 51 -3.588 2.331 5.600 398 HB3 GLU 51 HB1 GLU 51 -2.657 3.593 4.796 399 HG2 GLU 51 HG2 GLU 51 -4.753 4.464 3.779 400 HG3 GLU 51 HG1 GLU 51 -5.661 3.236 4.652 401 H CYS 52 HN CYS 52 -1.408 2.793 2.095 402 HA CYS 52 HA CYS 52 0.405 0.626 2.895 403 HB2 CYS 52 HB2 CYS 52 0.136 1.101 0.474 404 HB3 CYS 52 HB1 CYS 52 0.698 2.753 0.732 405 HG CYS 52 HG CYS 52 2.413 0.022 0.198 406 H ARG 53 HN ARG 53 1.430 1.108 4.767 407 HA ARG 53 HA ARG 53 1.672 3.610 5.988 408 HB2 ARG 53 HB2 ARG 53 1.792 1.335 7.083 409 HB3 ARG 53 HB1 ARG 53 3.435 1.161 6.481 410 HG2 ARG 53 HG2 ARG 53 4.196 3.002 7.865 411 HG3 ARG 53 HG1 ARG 53 2.540 3.399 8.327 412 HD2 ARG 53 HD2 ARG 53 2.370 1.162 9.454 413 HD3 ARG 53 HD1 ARG 53 4.070 0.885 9.070 414 HE ARG 53 HE ARG 53 4.691 2.582 10.600 415 HH11 ARG 53 HH11 ARG 53 1.216 1.973 10.692 416 HH12 ARG 53 HH12 ARG 53 1.012 2.725 12.241 417 HH21 ARG 53 HH21 ARG 53 4.399 3.573 12.613 418 HH22 ARG 53 HH22 ARG 53 2.821 3.638 13.336 419 H GLU 54 HN GLU 54 3.806 1.992 3.743 420 HA GLU 54 HA GLU 54 6.078 3.728 4.166 421 HB2 GLU 54 HB2 GLU 54 6.322 1.329 3.462 422 HB3 GLU 54 HB1 GLU 54 5.607 1.744 1.906 423 HG2 GLU 54 HG2 GLU 54 7.995 1.669 1.639 424 HG3 GLU 54 HG1 GLU 54 7.497 3.348 1.516 425 H LEU 55 HN LEU 55 3.441 3.419 1.813 426 HA LEU 55 HA LEU 55 4.482 5.474 0.077 427 HB2 LEU 55 HB2 LEU 55 3.192 3.507 -0.791 428 HB3 LEU 55 HB1 LEU 55 1.755 4.105 0.009 429 HG LEU 55 HG LEU 55 1.970 4.524 -2.536 430 HD11 LEU 55 HD11 LEU 55 0.898 6.698 -2.470 431 HD12 LEU 55 HD12 LEU 55 1.427 6.952 -0.809 432 HD13 LEU 55 HD13 LEU 55 0.279 5.666 -1.186 433 HD21 LEU 55 HD21 LEU 55 3.261 6.511 -3.240 434 HD22 LEU 55 HD22 LEU 55 4.305 5.237 -2.604 435 HD23 LEU 55 HD23 LEU 55 3.933 6.650 -1.611 436 H ARG 56 HN ARG 56 4.675 7.149 1.440 437 HA ARG 56 HA ARG 56 2.380 8.572 2.507 438 HB2 ARG 56 HB2 ARG 56 5.313 9.307 2.156 439 HB3 ARG 56 HB1 ARG 56 4.117 10.356 2.923 440 HG2 ARG 56 HG2 ARG 56 3.722 8.709 4.677 441 HG3 ARG 56 HG1 ARG 56 4.815 7.566 3.890 442 HD2 ARG 56 HD2 ARG 56 5.685 10.289 4.869 443 HD3 ARG 56 HD1 ARG 56 5.788 8.825 5.848 444 HE ARG 56 HE ARG 56 7.193 7.933 3.896 445 HH11 ARG 56 HH11 ARG 56 7.235 11.315 4.854 446 HH12 ARG 56 HH12 ARG 56 8.850 11.583 4.279 447 HH21 ARG 56 HH21 ARG 56 10.026 9.842 3.309 448 HH22 ARG 56 HH22 ARG 56 9.304 8.269 3.159 449 HA PRO 57 HA PRO 57 1.372 10.858 -1.317 450 HB2 PRO 57 HB2 PRO 57 0.920 13.308 0.357 451 HB3 PRO 57 HB1 PRO 57 -0.214 12.420 -0.685 452 HG2 PRO 57 HG2 PRO 57 -0.434 12.273 1.968 453 HG3 PRO 57 HG1 PRO 57 -0.718 10.834 0.958 454 HD2 PRO 57 HD2 PRO 57 1.760 11.577 2.528 455 HD3 PRO 57 HD1 PRO 57 0.909 10.014 2.441 456 H ASP 58 HN ASP 58 3.984 11.592 0.659 457 HA ASP 58 HA ASP 58 5.199 13.871 -0.385 458 HB2 ASP 58 HB2 ASP 58 5.915 12.680 1.679 459 HB3 ASP 58 HB1 ASP 58 6.474 11.316 0.718 460 H VAL 59 HN VAL 59 4.931 10.626 -1.598 461 HA VAL 59 HA VAL 59 6.974 10.336 -3.403 462 HB VAL 59 HB VAL 59 5.334 8.588 -2.697 463 HG11 VAL 59 HG11 VAL 59 3.259 9.834 -2.949 464 HG12 VAL 59 HG12 VAL 59 3.190 8.338 -3.879 465 HG13 VAL 59 HG13 VAL 59 3.457 9.877 -4.702 466 HG21 VAL 59 HG21 VAL 59 5.303 7.328 -4.830 467 HG22 VAL 59 HG22 VAL 59 6.852 8.135 -4.589 468 HG23 VAL 59 HG23 VAL 59 5.678 8.809 -5.719 469 H PHE 60 HN PHE 60 4.058 12.244 -3.767 470 HA PHE 60 HA PHE 60 4.161 12.845 -6.540 471 HB2 PHE 60 HB2 PHE 60 3.029 14.309 -4.128 472 HB3 PHE 60 HB1 PHE 60 2.881 14.952 -5.757 473 HD1 PHE 60 HD1 PHE 60 0.801 14.659 -6.714 474 HD2 PHE 60 HD2 PHE 60 2.238 11.603 -4.051 475 HE1 PHE 60 HE1 PHE 60 -1.299 13.415 -7.000 476 HE2 PHE 60 HE2 PHE 60 0.127 10.405 -4.347 477 HZ PHE 60 HZ PHE 60 -1.638 11.287 -5.814 478 H GLY 61 HN GLY 61 5.061 14.903 -3.746 479 HA2 GLY 61 HA2 GLY 61 6.746 16.622 -5.423 480 HA3 GLY 61 HA1 GLY 61 6.190 16.945 -3.785 481 H ALA 62 HN ALA 62 7.890 14.149 -5.172 482 HA ALA 62 HA ALA 62 9.757 14.149 -2.903 483 HB1 ALA 62 HB1 ALA 62 9.110 11.981 -4.936 484 HB2 ALA 62 HB2 ALA 62 8.432 12.111 -3.315 485 HB3 ALA 62 HB3 ALA 62 10.160 11.794 -3.525
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