NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649443 | 6u24 | 30654 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -7.994 -0.967 1.485 2 HA2 GLY 1 2HA GLY 1 -7.410 -2.445 3.255 3 HA3 GLY 1 1HA GLY 1 -8.315 -3.729 2.438 4 H ARG 2 H ARG 2 -6.252 -1.478 0.859 5 HA ARG 2 HA ARG 2 -4.564 -3.732 0.035 6 HB2 ARG 2 2HB ARG 2 -6.198 -2.683 -1.595 7 HB3 ARG 2 1HB ARG 2 -5.205 -1.246 -1.511 8 HG2 ARG 2 2HG ARG 2 -3.295 -2.555 -2.345 9 HG3 ARG 2 1HG ARG 2 -4.362 -3.956 -2.496 10 HD2 ARG 2 2HD ARG 2 -4.577 -1.324 -3.944 11 HD3 ARG 2 1HD ARG 2 -4.235 -2.909 -4.635 12 HE ARG 2 HE ARG 2 -6.747 -2.937 -3.308 13 HH11 ARG 2 1HH1 ARG 2 -5.248 -1.712 -6.269 14 HH12 ARG 2 2HH1 ARG 2 -6.697 -1.704 -7.148 15 HH21 ARG 2 1HH2 ARG 2 -8.672 -2.930 -4.460 16 HH22 ARG 2 2HH2 ARG 2 -8.740 -2.399 -6.083 17 H ALA 3 H AZH 3 -2.592 -3.478 0.844 18 HA ALA 3 HA AZH 3 -1.424 -0.808 1.052 19 HB2 ALA 3 1HB AZH 3 -0.267 -1.995 3.142 20 HB3 ALA 3 2HB AZH 3 -1.786 -2.882 3.163 21 H THR 4 H THR 4 0.637 -0.707 0.239 22 HA THR 4 HA THR 4 1.691 -3.178 -0.762 23 HB THR 4 HB THR 4 3.292 -1.633 -1.925 24 HG1 THR 4 1HG THR 4 3.192 0.432 -1.635 25 HG21 THR 4 1HG2 THR 4 0.356 -1.064 -2.373 26 HG22 THR 4 2HG2 THR 4 1.273 -2.400 -3.072 27 HG23 THR 4 3HG2 THR 4 1.648 -0.738 -3.527 28 H LYS 5 H LYS 5 3.595 -3.978 -0.070 29 HA LYS 5 HA LYS 5 4.733 -2.836 2.359 30 HB2 LYS 5 2HB LYS 5 5.253 -5.417 0.891 31 HB3 LYS 5 1HB LYS 5 6.096 -4.936 2.361 32 HG2 LYS 5 2HG LYS 5 4.088 -4.990 3.618 33 HG3 LYS 5 1HG LYS 5 3.116 -5.212 2.168 34 HD2 LYS 5 2HD LYS 5 4.170 -7.392 1.812 35 HD3 LYS 5 1HD LYS 5 5.139 -7.158 3.269 36 HE2 LYS 5 2HE LYS 5 3.192 -8.570 3.696 37 HE3 LYS 5 1HE LYS 5 3.129 -7.067 4.618 38 HZ1 LYS 5 1HZ LYS 5 1.579 -6.191 2.968 39 HZ2 LYS 5 2HZ LYS 5 0.981 -7.576 3.680 40 HZ3 LYS 5 3HZ LYS 5 1.619 -7.639 2.115 41 H SER 6 H SER 6 5.120 -2.769 -0.915 42 HA SER 6 HA SER 6 7.971 -2.410 -1.024 43 HB2 SER 6 2HB SER 6 5.839 -1.745 -3.068 44 HB3 SER 6 1HB SER 6 7.571 -1.911 -3.372 45 HG SER 6 HG SER 6 6.844 -4.107 -2.172 46 H ILE 7 H ILE 7 9.022 -0.451 -1.112 47 HA ILE 7 HA ILE 7 7.671 1.687 0.229 48 HB ILE 7 HB ILE 7 10.507 1.524 -0.850 49 HG12 ILE 7 2HG1 ILE 7 9.451 1.050 1.944 50 HG13 ILE 7 1HG1 ILE 7 9.968 -0.207 0.828 51 HG21 ILE 7 1HG2 ILE 7 9.769 3.848 -0.486 52 HG22 ILE 7 2HG2 ILE 7 11.013 3.370 0.670 53 HG23 ILE 7 3HG2 ILE 7 9.326 3.438 1.174 54 HD11 ILE 7 1HD1 ILE 7 11.699 1.942 2.027 55 HD12 ILE 7 2HD1 ILE 7 12.231 0.722 0.871 56 HD13 ILE 7 3HD1 ILE 7 11.673 0.233 2.468 57 HA PRO 8 HA PRO 8 7.255 3.652 0.476 58 HB2 PRO 8 2HB PRO 8 5.341 5.455 0.012 59 HB3 PRO 8 1HB PRO 8 7.048 5.831 -0.235 60 HG2 PRO 8 2HG PRO 8 4.943 5.175 -2.242 61 HG3 PRO 8 1HG PRO 8 6.260 6.352 -2.347 62 HD2 PRO 8 2HD PRO 8 6.287 3.815 -3.475 63 HD3 PRO 8 1HD PRO 8 7.726 4.789 -3.136 64 HA PRO 9 HA PRO 9 3.772 0.901 0.862 65 HB2 PRO 9 2HB PRO 9 3.200 1.402 3.506 66 HB3 PRO 9 1HB PRO 9 4.475 0.305 2.968 67 HG2 PRO 9 2HG PRO 9 4.676 3.096 3.972 68 HG3 PRO 9 1HG PRO 9 5.788 1.741 4.190 69 HD2 PRO 9 2HD PRO 9 6.198 3.785 2.416 70 HD3 PRO 9 1HD PRO 9 6.871 2.158 2.218 71 H ILE 10 H ILE 10 2.139 1.708 -0.284 72 HA ILE 10 HA ILE 10 0.729 4.034 0.762 73 HB ILE 10 HB ILE 10 -0.326 4.188 -1.496 74 HG12 ILE 10 2HG1 ILE 10 1.663 2.019 -2.229 75 HG13 ILE 10 1HG1 ILE 10 -0.084 1.836 -2.182 76 HG21 ILE 10 1HG2 ILE 10 1.588 5.565 -0.963 77 HG22 ILE 10 2HG2 ILE 10 1.651 5.074 -2.657 78 HG23 ILE 10 3HG2 ILE 10 2.685 4.280 -1.470 79 HD11 ILE 10 1HD1 ILE 10 0.700 2.061 -4.450 80 HD12 ILE 10 2HD1 ILE 10 1.480 3.595 -4.053 81 HD13 ILE 10 3HD1 ILE 10 -0.279 3.461 -4.005 82 H ALA 11 H PRG 11 -1.433 3.904 1.198 83 HA ALA 11 HA PRG 11 -2.476 1.203 1.069 84 HB1 ALA 11 1HB PRG 11 -3.425 1.363 3.263 85 HB2 ALA 11 2HB PRG 11 -2.846 2.985 3.505 86 H PHE 12 H PHE 12 -4.462 0.947 0.692 87 HA PHE 12 HA PHE 12 -6.065 3.309 -0.001 88 HB2 PHE 12 2HB PHE 12 -6.120 0.585 -1.332 89 HB3 PHE 12 1HB PHE 12 -7.058 1.991 -1.797 90 HD1 PHE 12 1HD PHE 12 -3.939 0.240 -2.172 91 HD2 PHE 12 2HD PHE 12 -5.850 4.002 -2.733 92 HE1 PHE 12 1HE PHE 12 -2.176 0.896 -3.745 93 HE2 PHE 12 2HE PHE 12 -4.083 4.661 -4.304 94 HZ PHE 12 HZ PHE 12 -2.249 3.110 -4.817 95 HA PRO 13 HA PRO 13 -8.897 1.978 3.239 96 HB2 PRO 13 2HB PRO 13 -10.875 2.837 1.197 97 HB3 PRO 13 1HB PRO 13 -10.788 3.249 2.910 98 HG2 PRO 13 2HG PRO 13 -9.989 4.979 1.024 99 HG3 PRO 13 1HG PRO 13 -9.176 4.862 2.588 100 HD2 PRO 13 2HD PRO 13 -8.245 4.014 -0.080 101 HD3 PRO 13 1HD PRO 13 -7.315 4.426 1.368 102 H ASP 14 H ASP 14 -9.260 0.989 -0.061 103 HA ASP 14 HA ASP 14 -11.053 -1.108 -0.097 104 HB2 ASP 14 2HB ASP 14 -9.989 -0.451 -2.114 105 HB3 ASP 14 1HB ASP 14 -8.389 -0.717 -1.451 106 H1 WMH 101 1HG AZH 3 -2.510 -1.053 4.472 107 H2 WMH 101 2HG AZH 3 -2.697 -0.436 2.878 108 H5 WMH 101 HD PRG 11 -0.160 3.303 3.894 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -8.026 -1.066 1.172 2 HA2 GLY 1 2HA GLY 1 -7.789 -2.711 2.953 3 HA3 GLY 1 1HA GLY 1 -8.779 -3.801 1.982 4 H ARG 2 H ARG 2 -6.043 -1.725 1.130 5 HA ARG 2 HA ARG 2 -4.408 -4.024 0.539 6 HB2 ARG 2 2HB ARG 2 -5.322 -2.053 -1.547 7 HB3 ARG 2 1HB ARG 2 -3.828 -2.959 -1.715 8 HG2 ARG 2 2HG ARG 2 -5.046 -5.043 -1.705 9 HG3 ARG 2 1HG ARG 2 -6.551 -4.183 -1.378 10 HD2 ARG 2 2HD ARG 2 -4.854 -3.768 -3.824 11 HD3 ARG 2 1HD ARG 2 -6.245 -4.848 -3.756 12 HE ARG 2 HE ARG 2 -7.601 -2.907 -3.221 13 HH11 ARG 2 1HH1 ARG 2 -4.439 -2.281 -4.747 14 HH12 ARG 2 2HH1 ARG 2 -4.927 -0.846 -5.508 15 HH21 ARG 2 1HH2 ARG 2 -8.271 -0.934 -4.323 16 HH22 ARG 2 2HH2 ARG 2 -7.162 -0.062 -5.263 17 H ALA 3 H AZH 3 -2.266 -3.578 0.606 18 HA ALA 3 HA AZH 3 -1.378 -0.850 1.070 19 HB2 ALA 3 1HB AZH 3 0.002 -2.073 3.008 20 HB3 ALA 3 2HB AZH 3 -1.440 -3.076 3.046 21 H THR 4 H THR 4 0.589 -0.512 0.112 22 HA THR 4 HA THR 4 1.803 -2.732 -1.172 23 HB THR 4 HB THR 4 3.544 -0.990 -1.814 24 HG1 THR 4 1HG THR 4 3.388 0.960 -1.060 25 HG21 THR 4 1HG2 THR 4 0.658 -0.363 -2.464 26 HG22 THR 4 2HG2 THR 4 1.674 -1.537 -3.301 27 HG23 THR 4 3HG2 THR 4 2.058 0.182 -3.387 28 H LYS 5 H LYS 5 3.602 -3.768 -0.572 29 HA LYS 5 HA LYS 5 4.458 -3.266 2.186 30 HB2 LYS 5 2HB LYS 5 4.607 -5.816 0.575 31 HB3 LYS 5 1HB LYS 5 5.058 -5.638 2.264 32 HG2 LYS 5 2HG LYS 5 2.284 -5.323 1.110 33 HG3 LYS 5 1HG LYS 5 2.860 -6.676 2.073 34 HD2 LYS 5 2HD LYS 5 2.621 -3.809 3.032 35 HD3 LYS 5 1HD LYS 5 1.476 -5.097 3.373 36 HE2 LYS 5 2HE LYS 5 4.380 -5.071 4.214 37 HE3 LYS 5 1HE LYS 5 3.012 -4.683 5.252 38 HZ1 LYS 5 1HZ LYS 5 2.179 -6.930 4.902 39 HZ2 LYS 5 2HZ LYS 5 3.705 -6.948 5.601 40 HZ3 LYS 5 3HZ LYS 5 3.517 -7.325 3.971 41 H SER 6 H SER 6 5.356 -2.012 -0.258 42 HA SER 6 HA SER 6 8.187 -2.339 0.147 43 HB2 SER 6 2HB SER 6 8.488 -2.141 -2.350 44 HB3 SER 6 1HB SER 6 7.758 -3.664 -1.848 45 HG SER 6 HG SER 6 6.765 -1.683 -3.414 46 H ILE 7 H ILE 7 9.235 -0.326 -0.851 47 HA ILE 7 HA ILE 7 7.762 1.967 0.007 48 HB ILE 7 HB ILE 7 10.462 1.739 -1.353 49 HG12 ILE 7 2HG1 ILE 7 10.457 0.610 0.790 50 HG13 ILE 7 1HG1 ILE 7 11.406 2.087 0.898 51 HG21 ILE 7 1HG2 ILE 7 9.547 3.964 -1.663 52 HG22 ILE 7 2HG2 ILE 7 10.928 3.991 -0.567 53 HG23 ILE 7 3HG2 ILE 7 9.292 4.117 0.078 54 HD11 ILE 7 1HD1 ILE 7 8.609 1.670 1.939 55 HD12 ILE 7 2HD1 ILE 7 9.501 3.191 2.003 56 HD13 ILE 7 3HD1 ILE 7 10.089 1.781 2.891 57 HA PRO 8 HA PRO 8 7.159 3.833 -0.232 58 HB2 PRO 8 2HB PRO 8 5.116 5.431 -0.987 59 HB3 PRO 8 1HB PRO 8 6.797 5.785 -1.391 60 HG2 PRO 8 2HG PRO 8 4.613 4.855 -3.132 61 HG3 PRO 8 1HG PRO 8 6.112 5.686 -3.559 62 HD2 PRO 8 2HD PRO 8 5.519 2.876 -3.733 63 HD3 PRO 8 1HD PRO 8 7.017 3.708 -4.180 64 HA PRO 9 HA PRO 9 3.766 1.301 1.072 65 HB2 PRO 9 2HB PRO 9 3.596 2.040 3.658 66 HB3 PRO 9 1HB PRO 9 4.945 1.079 3.043 67 HG2 PRO 9 2HG PRO 9 4.829 3.984 3.668 68 HG3 PRO 9 1HG PRO 9 6.158 2.838 3.917 69 HD2 PRO 9 2HD PRO 9 5.966 4.628 1.801 70 HD3 PRO 9 1HD PRO 9 6.966 3.163 1.809 71 H ILE 10 H ILE 10 2.108 2.141 -0.133 72 HA ILE 10 HA ILE 10 0.599 4.306 1.105 73 HB ILE 10 HB ILE 10 1.305 4.895 -1.176 74 HG12 ILE 10 2HG1 ILE 10 -0.914 5.341 -2.223 75 HG13 ILE 10 1HG1 ILE 10 -1.653 4.274 -1.037 76 HG21 ILE 10 1HG2 ILE 10 0.552 3.667 -3.153 77 HG22 ILE 10 2HG2 ILE 10 -0.105 2.409 -2.106 78 HG23 ILE 10 3HG2 ILE 10 1.632 2.713 -2.134 79 HD11 ILE 10 1HD1 ILE 10 -0.938 5.774 0.758 80 HD12 ILE 10 2HD1 ILE 10 -1.931 6.614 -0.431 81 HD13 ILE 10 3HD1 ILE 10 -0.184 6.835 -0.433 82 H ALA 11 H PRG 11 -1.437 3.871 1.786 83 HA ALA 11 HA PRG 11 -2.280 1.151 1.266 84 HB1 ALA 11 1HB PRG 11 -3.301 1.068 3.448 85 HB2 ALA 11 2HB PRG 11 -2.798 2.684 3.839 86 H PHE 12 H PHE 12 -4.307 0.732 0.924 87 HA PHE 12 HA PHE 12 -5.885 2.992 -0.038 88 HB2 PHE 12 2HB PHE 12 -5.888 0.083 -0.879 89 HB3 PHE 12 1HB PHE 12 -6.897 1.334 -1.579 90 HD1 PHE 12 1HD PHE 12 -5.928 3.029 -3.044 91 HD2 PHE 12 2HD PHE 12 -3.552 -0.107 -1.423 92 HE1 PHE 12 1HE PHE 12 -4.161 3.513 -4.693 93 HE2 PHE 12 2HE PHE 12 -1.789 0.368 -3.060 94 HZ PHE 12 HZ PHE 12 -2.089 2.181 -4.698 95 HA PRO 13 HA PRO 13 -8.810 1.943 3.264 96 HB2 PRO 13 2HB PRO 13 -11.028 3.007 1.896 97 HB3 PRO 13 1HB PRO 13 -10.009 3.874 3.041 98 HG2 PRO 13 2HG PRO 13 -9.956 3.895 0.070 99 HG3 PRO 13 1HG PRO 13 -9.580 5.192 1.209 100 HD2 PRO 13 2HD PRO 13 -7.670 3.873 -0.128 101 HD3 PRO 13 1HD PRO 13 -7.413 4.454 1.531 102 H ASP 14 H ASP 14 -9.079 1.147 -0.045 103 HA ASP 14 HA ASP 14 -11.161 -0.645 -0.302 104 HB2 ASP 14 2HB ASP 14 -9.747 0.103 -2.144 105 HB3 ASP 14 1HB ASP 14 -8.379 -0.775 -1.476 106 H1 WMH 101 1HG AZH 3 -2.242 -1.402 4.513 107 H2 WMH 101 2HG AZH 3 -2.533 -0.665 2.984 108 H5 WMH 101 HD PRG 11 -0.070 3.078 4.171 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -8.023 -0.861 1.611 2 HA2 GLY 1 2HA GLY 1 -7.446 -2.167 3.594 3 HA3 GLY 1 1HA GLY 1 -8.464 -3.454 2.957 4 H ARG 2 H ARG 2 -6.549 -1.687 0.767 5 HA ARG 2 HA ARG 2 -4.812 -4.017 0.454 6 HB2 ARG 2 2HB ARG 2 -5.884 -2.040 -1.554 7 HB3 ARG 2 1HB ARG 2 -4.485 -3.046 -1.917 8 HG2 ARG 2 2HG ARG 2 -5.772 -5.042 -1.698 9 HG3 ARG 2 1HG ARG 2 -7.144 -4.152 -1.045 10 HD2 ARG 2 2HD ARG 2 -6.059 -3.625 -3.798 11 HD3 ARG 2 1HD ARG 2 -7.265 -4.877 -3.501 12 HE ARG 2 HE ARG 2 -8.540 -2.955 -2.419 13 HH11 ARG 2 1HH1 ARG 2 -6.627 -2.718 -5.383 14 HH12 ARG 2 2HH1 ARG 2 -7.485 -1.406 -6.024 15 HH21 ARG 2 1HH2 ARG 2 -9.774 -1.098 -3.369 16 HH22 ARG 2 2HH2 ARG 2 -9.299 -0.484 -4.862 17 H ALA 3 H AZH 3 -2.650 -3.761 0.551 18 HA ALA 3 HA AZH 3 -1.504 -1.092 0.826 19 HB2 ALA 3 1HB AZH 3 -0.294 -2.232 2.918 20 HB3 ALA 3 2HB AZH 3 -1.806 -3.126 2.989 21 H THR 4 H THR 4 0.670 -0.995 0.165 22 HA THR 4 HA THR 4 1.675 -3.441 -0.984 23 HB THR 4 HB THR 4 3.223 -1.882 -2.177 24 HG1 THR 4 1HG THR 4 3.077 0.238 -1.897 25 HG21 THR 4 1HG2 THR 4 0.291 -1.183 -2.419 26 HG22 THR 4 2HG2 THR 4 1.089 -2.541 -3.207 27 HG23 THR 4 3HG2 THR 4 1.521 -0.887 -3.646 28 H LYS 5 H LYS 5 3.911 -4.001 -0.618 29 HA LYS 5 HA LYS 5 4.860 -3.203 2.042 30 HB2 LYS 5 2HB LYS 5 5.754 -5.448 0.236 31 HB3 LYS 5 1HB LYS 5 6.339 -5.155 1.867 32 HG2 LYS 5 2HG LYS 5 4.126 -5.606 2.746 33 HG3 LYS 5 1HG LYS 5 3.518 -5.852 1.109 34 HD2 LYS 5 2HD LYS 5 5.105 -7.706 0.819 35 HD3 LYS 5 1HD LYS 5 5.652 -7.478 2.481 36 HE2 LYS 5 2HE LYS 5 4.032 -9.298 2.301 37 HE3 LYS 5 1HE LYS 5 3.428 -7.980 3.304 38 HZ1 LYS 5 1HZ LYS 5 2.702 -8.411 0.447 39 HZ2 LYS 5 2HZ LYS 5 2.069 -7.223 1.471 40 HZ3 LYS 5 3HZ LYS 5 1.766 -8.837 1.768 41 H SER 6 H SER 6 5.313 -2.516 -1.157 42 HA SER 6 HA SER 6 8.145 -2.109 -1.099 43 HB2 SER 6 2HB SER 6 7.516 -1.027 -3.376 44 HB3 SER 6 1HB SER 6 7.317 -2.774 -3.189 45 HG SER 6 HG SER 6 5.368 -0.752 -3.025 46 H ILE 7 H ILE 7 9.131 -0.244 -0.582 47 HA ILE 7 HA ILE 7 7.535 1.788 0.704 48 HB ILE 7 HB ILE 7 10.552 1.661 0.351 49 HG12 ILE 7 2HG1 ILE 7 9.784 -0.354 1.514 50 HG13 ILE 7 1HG1 ILE 7 10.655 0.697 2.620 51 HG21 ILE 7 1HG2 ILE 7 9.747 3.879 0.965 52 HG22 ILE 7 2HG2 ILE 7 10.655 3.147 2.287 53 HG23 ILE 7 3HG2 ILE 7 8.897 3.197 2.352 54 HD11 ILE 7 1HD1 ILE 7 7.668 0.348 2.446 55 HD12 ILE 7 2HD1 ILE 7 8.499 1.461 3.535 56 HD13 ILE 7 3HD1 ILE 7 8.732 -0.278 3.706 57 HA PRO 8 HA PRO 8 7.218 3.835 1.107 58 HB2 PRO 8 2HB PRO 8 5.398 5.696 -0.055 59 HB3 PRO 8 1HB PRO 8 6.835 6.061 0.897 60 HG2 PRO 8 2HG PRO 8 6.490 6.604 -1.816 61 HG3 PRO 8 1HG PRO 8 8.030 6.598 -0.952 62 HD2 PRO 8 2HD PRO 8 6.832 4.536 -2.721 63 HD3 PRO 8 1HD PRO 8 8.539 4.946 -2.459 64 HA PRO 9 HA PRO 9 3.843 1.062 0.316 65 HB2 PRO 9 2HB PRO 9 2.748 1.058 2.815 66 HB3 PRO 9 1HB PRO 9 4.205 0.149 2.400 67 HG2 PRO 9 2HG PRO 9 3.937 2.768 3.801 68 HG3 PRO 9 1HG PRO 9 5.065 1.438 4.114 69 HD2 PRO 9 2HD PRO 9 5.726 3.712 2.770 70 HD3 PRO 9 1HD PRO 9 6.530 2.154 2.505 71 H ILE 10 H ILE 10 1.985 1.501 -0.607 72 HA ILE 10 HA ILE 10 0.578 3.916 0.221 73 HB ILE 10 HB ILE 10 1.303 4.046 -2.118 74 HG12 ILE 10 2HG1 ILE 10 -0.889 4.377 -3.263 75 HG13 ILE 10 1HG1 ILE 10 -1.675 3.591 -1.899 76 HG21 ILE 10 1HG2 ILE 10 -0.204 1.497 -2.598 77 HG22 ILE 10 2HG2 ILE 10 1.543 1.723 -2.667 78 HG23 ILE 10 3HG2 ILE 10 0.504 2.517 -3.850 79 HD11 ILE 10 1HD1 ILE 10 -1.820 6.024 -1.778 80 HD12 ILE 10 2HD1 ILE 10 -0.059 6.123 -1.758 81 HD13 ILE 10 3HD1 ILE 10 -0.916 5.356 -0.421 82 H ALA 11 H PRG 11 -1.416 3.676 1.060 83 HA ALA 11 HA PRG 11 -2.464 0.979 0.873 84 HB1 ALA 11 1HB PRG 11 -3.424 1.160 3.083 85 HB2 ALA 11 2HB PRG 11 -2.819 2.774 3.310 86 H PHE 12 H PHE 12 -4.412 0.682 0.441 87 HA PHE 12 HA PHE 12 -5.940 2.993 -0.519 88 HB2 PHE 12 2HB PHE 12 -6.220 0.061 -1.260 89 HB3 PHE 12 1HB PHE 12 -7.049 1.413 -2.021 90 HD1 PHE 12 1HD PHE 12 -5.652 3.130 -3.269 91 HD2 PHE 12 2HD PHE 12 -4.118 -0.643 -2.030 92 HE1 PHE 12 1HE PHE 12 -3.819 3.338 -4.895 93 HE2 PHE 12 2HE PHE 12 -2.286 -0.437 -3.660 94 HZ PHE 12 HZ PHE 12 -2.138 1.558 -5.090 95 HA PRO 13 HA PRO 13 -8.618 2.501 3.056 96 HB2 PRO 13 2HB PRO 13 -10.707 3.346 1.099 97 HB3 PRO 13 1HB PRO 13 -10.361 3.975 2.714 98 HG2 PRO 13 2HG PRO 13 -9.591 5.335 0.591 99 HG3 PRO 13 1HG PRO 13 -8.509 5.186 1.988 100 HD2 PRO 13 2HD PRO 13 -8.394 3.801 -0.656 101 HD3 PRO 13 1HD PRO 13 -7.078 4.403 0.372 102 H ASP 14 H ASP 14 -9.199 0.915 0.098 103 HA ASP 14 HA ASP 14 -11.382 -0.745 0.722 104 HB2 ASP 14 2HB ASP 14 -10.512 -0.472 -1.530 105 HB3 ASP 14 1HB ASP 14 -8.999 -1.225 -1.056 106 H1 WMH 101 1HG AZH 3 -2.533 -1.273 4.279 107 H2 WMH 101 2HG AZH 3 -2.720 -0.659 2.684 108 H5 WMH 101 HD PRG 11 -0.119 3.053 3.660 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -7.950 -0.773 1.533 2 HA2 GLY 1 2HA GLY 1 -7.513 -1.519 3.789 3 HA3 GLY 1 1HA GLY 1 -8.530 -2.920 3.454 4 H ARG 2 H ARG 2 -6.295 -1.752 1.109 5 HA ARG 2 HA ARG 2 -4.556 -4.017 1.696 6 HB2 ARG 2 2HB ARG 2 -4.227 -4.380 -0.716 7 HB3 ARG 2 1HB ARG 2 -5.895 -4.623 -0.252 8 HG2 ARG 2 2HG ARG 2 -6.404 -2.351 -1.127 9 HG3 ARG 2 1HG ARG 2 -4.738 -2.252 -1.699 10 HD2 ARG 2 2HD ARG 2 -6.160 -2.961 -3.521 11 HD3 ARG 2 1HD ARG 2 -5.119 -4.303 -3.042 12 HE ARG 2 HE ARG 2 -7.683 -4.278 -1.728 13 HH11 ARG 2 1HH1 ARG 2 -5.993 -5.457 -4.621 14 HH12 ARG 2 2HH1 ARG 2 -7.126 -6.689 -4.896 15 HH21 ARG 2 1HH2 ARG 2 -9.165 -5.910 -2.131 16 HH22 ARG 2 2HH2 ARG 2 -8.962 -6.984 -3.453 17 H ALA 3 H AZH 3 -2.427 -3.663 1.595 18 HA ALA 3 HA AZH 3 -1.527 -0.975 0.853 19 HB2 ALA 3 1HB AZH 3 0.173 -1.269 2.762 20 HB3 ALA 3 2HB AZH 3 -0.875 -2.560 3.331 21 H THR 4 H THR 4 0.631 -0.846 0.103 22 HA THR 4 HA THR 4 1.463 -3.312 -1.125 23 HB THR 4 HB THR 4 3.039 -1.734 -2.349 24 HG1 THR 4 1HG THR 4 2.188 0.469 -2.264 25 HG21 THR 4 1HG2 THR 4 1.232 -0.903 -3.804 26 HG22 THR 4 2HG2 THR 4 0.063 -1.267 -2.533 27 HG23 THR 4 3HG2 THR 4 0.949 -2.574 -3.314 28 H LYS 5 H LYS 5 3.527 -4.166 -0.939 29 HA LYS 5 HA LYS 5 4.829 -3.633 1.579 30 HB2 LYS 5 2HB LYS 5 5.272 -5.779 -0.495 31 HB3 LYS 5 1HB LYS 5 6.201 -5.649 0.991 32 HG2 LYS 5 2HG LYS 5 4.152 -5.951 2.298 33 HG3 LYS 5 1HG LYS 5 3.223 -6.076 0.806 34 HD2 LYS 5 2HD LYS 5 4.440 -8.075 0.175 35 HD3 LYS 5 1HD LYS 5 5.482 -7.914 1.586 36 HE2 LYS 5 2HE LYS 5 3.773 -9.609 1.974 37 HE3 LYS 5 1HE LYS 5 3.539 -8.239 3.049 38 HZ1 LYS 5 1HZ LYS 5 1.783 -7.452 1.581 39 HZ2 LYS 5 2HZ LYS 5 1.461 -9.016 2.112 40 HZ3 LYS 5 3HZ LYS 5 2.006 -8.776 0.560 41 H SER 6 H SER 6 5.092 -2.470 -1.445 42 HA SER 6 HA SER 6 7.922 -2.121 -1.621 43 HB2 SER 6 2HB SER 6 6.389 -2.161 -3.612 44 HB3 SER 6 1HB SER 6 5.691 -0.641 -3.063 45 HG SER 6 HG SER 6 8.389 -1.110 -3.760 46 H ILE 7 H ILE 7 8.638 0.358 -1.888 47 HA ILE 7 HA ILE 7 7.634 1.761 0.473 48 HB ILE 7 HB ILE 7 10.453 1.720 -0.665 49 HG12 ILE 7 2HG1 ILE 7 9.374 0.684 1.965 50 HG13 ILE 7 1HG1 ILE 7 9.826 -0.307 0.585 51 HG21 ILE 7 1HG2 ILE 7 11.097 3.132 1.239 52 HG22 ILE 7 2HG2 ILE 7 9.412 3.225 1.742 53 HG23 ILE 7 3HG2 ILE 7 9.913 3.948 0.213 54 HD11 ILE 7 1HD1 ILE 7 11.540 -0.311 2.314 55 HD12 ILE 7 2HD1 ILE 7 11.686 1.442 2.172 56 HD13 ILE 7 3HD1 ILE 7 12.132 0.404 0.818 57 HA PRO 8 HA PRO 8 7.244 3.572 1.278 58 HB2 PRO 8 2HB PRO 8 5.248 5.383 1.261 59 HB3 PRO 8 1HB PRO 8 6.940 5.871 1.259 60 HG2 PRO 8 2HG PRO 8 4.993 5.765 -0.995 61 HG3 PRO 8 1HG PRO 8 6.243 6.971 -0.652 62 HD2 PRO 8 2HD PRO 8 6.506 4.960 -2.507 63 HD3 PRO 8 1HD PRO 8 7.869 5.748 -1.698 64 HA PRO 9 HA PRO 9 3.715 0.827 1.064 65 HB2 PRO 9 2HB PRO 9 2.600 1.468 3.534 66 HB3 PRO 9 1HB PRO 9 3.821 0.228 3.285 67 HG2 PRO 9 2HG PRO 9 4.099 3.002 4.283 68 HG3 PRO 9 1HG PRO 9 5.043 1.562 4.702 69 HD2 PRO 9 2HD PRO 9 5.976 3.532 3.095 70 HD3 PRO 9 1HD PRO 9 6.459 1.836 2.908 71 H ILE 10 H ILE 10 2.203 1.502 -0.303 72 HA ILE 10 HA ILE 10 0.728 3.954 0.264 73 HB ILE 10 HB ILE 10 0.696 2.173 -2.207 74 HG12 ILE 10 2HG1 ILE 10 2.877 3.279 -1.952 75 HG13 ILE 10 1HG1 ILE 10 1.998 3.936 -3.323 76 HG21 ILE 10 1HG2 ILE 10 -0.475 4.019 -3.307 77 HG22 ILE 10 2HG2 ILE 10 -0.477 4.916 -1.792 78 HG23 ILE 10 3HG2 ILE 10 -1.386 3.407 -1.925 79 HD11 ILE 10 1HD1 ILE 10 1.376 5.888 -1.951 80 HD12 ILE 10 2HD1 ILE 10 3.119 5.694 -2.117 81 HD13 ILE 10 3HD1 ILE 10 2.323 5.225 -0.615 82 H ALA 11 H PRG 11 -1.259 3.778 1.159 83 HA ALA 11 HA PRG 11 -2.365 1.098 1.117 84 HB1 ALA 11 1HB PRG 11 -3.402 1.411 3.234 85 HB2 ALA 11 2HB PRG 11 -2.970 3.078 3.364 86 H PHE 12 H PHE 12 -4.219 0.716 0.434 87 HA PHE 12 HA PHE 12 -5.685 2.924 -0.782 88 HB2 PHE 12 2HB PHE 12 -5.748 -0.030 -1.443 89 HB3 PHE 12 1HB PHE 12 -6.579 1.247 -2.329 90 HD1 PHE 12 1HD PHE 12 -5.135 3.062 -3.408 91 HD2 PHE 12 2HD PHE 12 -3.562 -0.634 -2.006 92 HE1 PHE 12 1HE PHE 12 -3.141 3.372 -4.808 93 HE2 PHE 12 2HE PHE 12 -1.575 -0.324 -3.418 94 HZ PHE 12 HZ PHE 12 -1.361 1.678 -4.812 95 HA PRO 13 HA PRO 13 -8.965 2.864 2.219 96 HB2 PRO 13 2HB PRO 13 -10.551 2.905 -0.322 97 HB3 PRO 13 1HB PRO 13 -10.792 3.840 1.157 98 HG2 PRO 13 2HG PRO 13 -9.575 4.937 -0.921 99 HG3 PRO 13 1HG PRO 13 -9.010 5.251 0.728 100 HD2 PRO 13 2HD PRO 13 -7.768 3.628 -1.416 101 HD3 PRO 13 1HD PRO 13 -7.015 4.445 -0.034 102 H ASP 14 H ASP 14 -9.183 0.663 -0.514 103 HA ASP 14 HA ASP 14 -11.138 -1.146 0.220 104 HB2 ASP 14 2HB ASP 14 -10.003 -1.335 -1.906 105 HB3 ASP 14 1HB ASP 14 -8.477 -1.681 -1.108 106 H1 WMH 101 1HG AZH 3 -2.294 -0.976 4.338 107 H2 WMH 101 2HG AZH 3 -2.417 -0.266 2.783 108 H5 WMH 101 HD PRG 11 -0.442 3.653 4.137 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -8.140 -1.017 1.623 2 HA2 GLY 1 2HA GLY 1 -7.576 -2.779 3.202 3 HA3 GLY 1 1HA GLY 1 -8.431 -3.907 2.154 4 H ARG 2 H ARG 2 -6.450 -1.449 0.785 5 HA ARG 2 HA ARG 2 -4.606 -3.538 -0.177 6 HB2 ARG 2 2HB ARG 2 -5.094 -0.809 -1.327 7 HB3 ARG 2 1HB ARG 2 -4.128 -2.090 -2.028 8 HG2 ARG 2 2HG ARG 2 -6.114 -3.394 -2.437 9 HG3 ARG 2 1HG ARG 2 -7.109 -2.157 -1.653 10 HD2 ARG 2 2HD ARG 2 -6.210 -0.524 -3.325 11 HD3 ARG 2 1HD ARG 2 -5.479 -1.889 -4.165 12 HE ARG 2 HE ARG 2 -7.932 -2.722 -4.093 13 HH11 ARG 2 1HH1 ARG 2 -6.765 0.539 -4.800 14 HH12 ARG 2 2HH1 ARG 2 -8.090 0.970 -5.778 15 HH21 ARG 2 1HH2 ARG 2 -9.770 -2.141 -5.403 16 HH22 ARG 2 2HH2 ARG 2 -9.860 -0.599 -6.109 17 H ALA 3 H AZH 3 -2.611 -3.403 0.557 18 HA ALA 3 HA AZH 3 -1.361 -0.850 0.973 19 HB2 ALA 3 1HB AZH 3 -0.351 -2.032 3.165 20 HB3 ALA 3 2HB AZH 3 -1.949 -2.766 3.186 21 H THR 4 H THR 4 0.686 -0.892 0.289 22 HA THR 4 HA THR 4 1.522 -3.418 -0.761 23 HB THR 4 HB THR 4 3.349 -2.015 -1.844 24 HG1 THR 4 1HG THR 4 3.130 0.117 -1.825 25 HG21 THR 4 1HG2 THR 4 1.820 -1.105 -3.542 26 HG22 THR 4 2HG2 THR 4 0.464 -1.345 -2.440 27 HG23 THR 4 3HG2 THR 4 1.351 -2.735 -3.062 28 H LYS 5 H LYS 5 3.805 -4.048 -0.633 29 HA LYS 5 HA LYS 5 4.781 -3.685 2.098 30 HB2 LYS 5 2HB LYS 5 6.043 -5.760 1.702 31 HB3 LYS 5 1HB LYS 5 4.313 -5.979 1.485 32 HG2 LYS 5 2HG LYS 5 4.666 -5.767 -0.969 33 HG3 LYS 5 1HG LYS 5 6.398 -5.737 -0.664 34 HD2 LYS 5 2HD LYS 5 4.569 -8.008 0.145 35 HD3 LYS 5 1HD LYS 5 5.463 -7.949 -1.367 36 HE2 LYS 5 2HE LYS 5 6.719 -9.333 0.112 37 HE3 LYS 5 1HE LYS 5 7.577 -7.803 0.023 38 HZ1 LYS 5 1HZ LYS 5 5.743 -8.571 2.233 39 HZ2 LYS 5 2HZ LYS 5 6.757 -7.225 2.213 40 HZ3 LYS 5 3HZ LYS 5 7.400 -8.757 2.274 41 H SER 6 H SER 6 5.221 -2.370 -0.801 42 HA SER 6 HA SER 6 8.080 -2.257 -0.859 43 HB2 SER 6 2HB SER 6 7.363 -0.702 -2.836 44 HB3 SER 6 1HB SER 6 7.178 -2.450 -2.986 45 HG SER 6 HG SER 6 5.309 -0.632 -3.215 46 H ILE 7 H ILE 7 9.069 -0.082 -1.047 47 HA ILE 7 HA ILE 7 7.765 1.874 0.716 48 HB ILE 7 HB ILE 7 10.744 1.494 0.189 49 HG12 ILE 7 2HG1 ILE 7 9.171 0.752 2.668 50 HG13 ILE 7 1HG1 ILE 7 9.753 -0.396 1.470 51 HG21 ILE 7 1HG2 ILE 7 10.122 3.797 0.780 52 HG22 ILE 7 2HG2 ILE 7 11.066 3.041 2.063 53 HG23 ILE 7 3HG2 ILE 7 9.320 3.203 2.233 54 HD11 ILE 7 1HD1 ILE 7 11.462 1.372 3.212 55 HD12 ILE 7 2HD1 ILE 7 12.059 0.226 2.012 56 HD13 ILE 7 3HD1 ILE 7 11.187 -0.358 3.430 57 HA PRO 8 HA PRO 8 7.318 3.854 0.896 58 HB2 PRO 8 2HB PRO 8 5.634 5.718 -0.045 59 HB3 PRO 8 1HB PRO 8 7.336 6.080 0.263 60 HG2 PRO 8 2HG PRO 8 5.951 5.502 -2.315 61 HG3 PRO 8 1HG PRO 8 7.199 6.710 -1.955 62 HD2 PRO 8 2HD PRO 8 7.692 4.280 -3.148 63 HD3 PRO 8 1HD PRO 8 8.898 5.201 -2.230 64 HA PRO 9 HA PRO 9 3.883 1.209 0.014 65 HB2 PRO 9 2HB PRO 9 2.674 1.241 2.409 66 HB3 PRO 9 1HB PRO 9 4.221 0.427 2.141 67 HG2 PRO 9 2HG PRO 9 3.676 3.088 3.385 68 HG3 PRO 9 1HG PRO 9 4.838 1.843 3.873 69 HD2 PRO 9 2HD PRO 9 5.491 4.081 2.419 70 HD3 PRO 9 1HD PRO 9 6.412 2.564 2.392 71 H ILE 10 H ILE 10 1.929 1.455 -0.802 72 HA ILE 10 HA ILE 10 0.526 3.950 -0.270 73 HB ILE 10 HB ILE 10 -0.693 3.540 -2.406 74 HG12 ILE 10 2HG1 ILE 10 1.340 1.323 -2.813 75 HG13 ILE 10 1HG1 ILE 10 -0.381 1.097 -2.549 76 HG21 ILE 10 1HG2 ILE 10 1.183 5.066 -2.383 77 HG22 ILE 10 2HG2 ILE 10 1.150 4.185 -3.910 78 HG23 ILE 10 3HG2 ILE 10 2.306 3.733 -2.656 79 HD11 ILE 10 1HD1 ILE 10 0.892 2.441 -4.919 80 HD12 ILE 10 2HD1 ILE 10 -0.839 2.239 -4.674 81 HD13 ILE 10 3HD1 ILE 10 0.192 0.821 -4.892 82 H ALA 11 H PRG 11 -1.533 3.847 0.517 83 HA ALA 11 HA PRG 11 -2.596 1.168 0.839 84 HB1 ALA 11 1HB PRG 11 -3.305 1.584 3.107 85 HB2 ALA 11 2HB PRG 11 -2.616 3.175 3.142 86 H PHE 12 H PHE 12 -4.703 1.002 0.908 87 HA PHE 12 HA PHE 12 -6.308 3.352 0.218 88 HB2 PHE 12 2HB PHE 12 -6.442 0.634 -1.136 89 HB3 PHE 12 1HB PHE 12 -7.510 1.985 -1.443 90 HD1 PHE 12 1HD PHE 12 -4.032 0.774 -1.846 91 HD2 PHE 12 2HD PHE 12 -6.912 3.718 -2.915 92 HE1 PHE 12 1HE PHE 12 -2.558 1.561 -3.612 93 HE2 PHE 12 2HE PHE 12 -5.417 4.516 -4.693 94 HZ PHE 12 HZ PHE 12 -3.237 3.436 -5.037 95 HA PRO 13 HA PRO 13 -8.645 1.606 3.603 96 HB2 PRO 13 2HB PRO 13 -11.069 2.838 2.982 97 HB3 PRO 13 1HB PRO 13 -9.789 3.533 3.975 98 HG2 PRO 13 2HG PRO 13 -10.451 4.028 1.123 99 HG3 PRO 13 1HG PRO 13 -9.800 5.136 2.333 100 HD2 PRO 13 2HD PRO 13 -8.291 4.043 0.368 101 HD3 PRO 13 1HD PRO 13 -7.632 4.471 1.961 102 H ASP 14 H ASP 14 -9.095 0.889 0.418 103 HA ASP 14 HA ASP 14 -11.359 -0.855 0.453 104 HB2 ASP 14 2HB ASP 14 -8.890 -0.930 -1.311 105 HB3 ASP 14 1HB ASP 14 -10.402 -1.773 -1.613 106 H1 WMH 101 1HG AZH 3 -2.390 -0.786 4.464 107 H2 WMH 101 2HG AZH 3 -2.720 -0.312 2.840 108 H5 WMH 101 HD PRG 11 0.095 3.366 3.251 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -8.280 -0.947 1.592 2 HA2 GLY 1 2HA GLY 1 -7.340 -2.713 2.873 3 HA3 GLY 1 1HA GLY 1 -8.491 -3.817 2.133 4 H ARG 2 H ARG 2 -5.806 -1.703 1.298 5 HA ARG 2 HA ARG 2 -4.539 -3.776 -0.233 6 HB2 ARG 2 2HB ARG 2 -6.108 -2.896 -1.881 7 HB3 ARG 2 1HB ARG 2 -5.607 -1.262 -1.525 8 HG2 ARG 2 2HG ARG 2 -3.366 -1.799 -2.430 9 HG3 ARG 2 1HG ARG 2 -3.988 -3.391 -2.893 10 HD2 ARG 2 2HD ARG 2 -5.692 -2.365 -4.271 11 HD3 ARG 2 1HD ARG 2 -5.182 -0.769 -3.734 12 HE ARG 2 HE ARG 2 -3.037 -2.135 -4.920 13 HH11 ARG 2 1HH1 ARG 2 -6.043 -0.429 -5.707 14 HH12 ARG 2 2HH1 ARG 2 -5.587 0.015 -7.275 15 HH21 ARG 2 1HH2 ARG 2 -2.358 -1.491 -7.104 16 HH22 ARG 2 2HH2 ARG 2 -3.442 -0.636 -8.106 17 H ALA 3 H AZH 3 -2.512 -3.579 0.427 18 HA ALA 3 HA AZH 3 -1.317 -0.941 0.792 19 HB2 ALA 3 1HB AZH 3 -0.131 -2.242 2.800 20 HB3 ALA 3 2HB AZH 3 -1.663 -3.098 2.814 21 H THR 4 H THR 4 0.826 -0.826 0.175 22 HA THR 4 HA THR 4 1.910 -3.237 -0.947 23 HB THR 4 HB THR 4 3.619 -1.594 -1.882 24 HG1 THR 4 1HG THR 4 3.257 0.510 -1.712 25 HG21 THR 4 1HG2 THR 4 2.110 -0.746 -3.640 26 HG22 THR 4 2HG2 THR 4 0.721 -1.178 -2.641 27 HG23 THR 4 3HG2 THR 4 1.788 -2.438 -3.259 28 H LYS 5 H LYS 5 3.812 -4.039 -0.244 29 HA LYS 5 HA LYS 5 4.635 -3.315 2.447 30 HB2 LYS 5 2HB LYS 5 4.214 -5.674 1.830 31 HB3 LYS 5 1HB LYS 5 5.467 -5.577 0.610 32 HG2 LYS 5 2HG LYS 5 7.154 -5.296 2.335 33 HG3 LYS 5 1HG LYS 5 5.901 -5.310 3.582 34 HD2 LYS 5 2HD LYS 5 5.265 -7.581 2.908 35 HD3 LYS 5 1HD LYS 5 6.521 -7.557 1.672 36 HE2 LYS 5 2HE LYS 5 7.026 -7.247 4.624 37 HE3 LYS 5 1HE LYS 5 7.157 -8.773 3.755 38 HZ1 LYS 5 1HZ LYS 5 8.931 -7.842 2.440 39 HZ2 LYS 5 2HZ LYS 5 9.302 -7.657 4.062 40 HZ3 LYS 5 3HZ LYS 5 8.772 -6.338 3.176 41 H SER 6 H SER 6 5.446 -2.686 -0.724 42 HA SER 6 HA SER 6 8.301 -2.298 -0.272 43 HB2 SER 6 2HB SER 6 6.647 -1.798 -2.753 44 HB3 SER 6 1HB SER 6 8.406 -1.909 -2.654 45 HG SER 6 HG SER 6 7.496 -4.085 -1.564 46 H ILE 7 H ILE 7 9.257 -0.254 -0.295 47 HA ILE 7 HA ILE 7 7.579 1.959 0.423 48 HB ILE 7 HB ILE 7 10.587 1.858 -0.094 49 HG12 ILE 7 2HG1 ILE 7 9.097 1.743 2.537 50 HG13 ILE 7 1HG1 ILE 7 9.845 0.365 1.742 51 HG21 ILE 7 1HG2 ILE 7 9.668 4.138 -0.234 52 HG22 ILE 7 2HG2 ILE 7 10.724 3.943 1.162 53 HG23 ILE 7 3HG2 ILE 7 8.976 3.952 1.382 54 HD11 ILE 7 1HD1 ILE 7 12.040 1.419 2.002 55 HD12 ILE 7 2HD1 ILE 7 11.230 1.209 3.555 56 HD13 ILE 7 3HD1 ILE 7 11.277 2.798 2.793 57 HA PRO 8 HA PRO 8 7.166 4.017 0.222 58 HB2 PRO 8 2HB PRO 8 5.274 5.546 -0.909 59 HB3 PRO 8 1HB PRO 8 6.981 5.999 -0.939 60 HG2 PRO 8 2HG PRO 8 5.299 4.793 -3.090 61 HG3 PRO 8 1HG PRO 8 6.562 6.027 -3.219 62 HD2 PRO 8 2HD PRO 8 6.911 3.340 -3.792 63 HD3 PRO 8 1HD PRO 8 8.218 4.463 -3.383 64 HA PRO 9 HA PRO 9 3.759 1.147 0.542 65 HB2 PRO 9 2HB PRO 9 3.090 1.625 3.116 66 HB3 PRO 9 1HB PRO 9 4.528 0.694 2.677 67 HG2 PRO 9 2HG PRO 9 4.299 3.545 3.523 68 HG3 PRO 9 1HG PRO 9 5.519 2.339 3.964 69 HD2 PRO 9 2HD PRO 9 5.908 4.271 2.057 70 HD3 PRO 9 1HD PRO 9 6.743 2.706 2.069 71 H ILE 10 H ILE 10 1.978 1.670 -0.448 72 HA ILE 10 HA ILE 10 0.529 4.057 0.401 73 HB ILE 10 HB ILE 10 -0.628 3.920 -1.830 74 HG12 ILE 10 2HG1 ILE 10 1.577 1.936 -2.475 75 HG13 ILE 10 1HG1 ILE 10 -0.128 1.543 -2.314 76 HG21 ILE 10 1HG2 ILE 10 2.358 4.329 -1.874 77 HG22 ILE 10 2HG2 ILE 10 1.136 5.532 -1.461 78 HG23 ILE 10 3HG2 ILE 10 1.234 4.900 -3.106 79 HD11 ILE 10 1HD1 ILE 10 -0.625 2.936 -4.256 80 HD12 ILE 10 2HD1 ILE 10 0.552 1.678 -4.641 81 HD13 ILE 10 3HD1 ILE 10 1.085 3.341 -4.394 82 H ALA 11 H PRG 11 -1.445 3.794 1.239 83 HA ALA 11 HA PRG 11 -2.508 1.104 1.053 84 HB1 ALA 11 1HB PRG 11 -3.274 1.165 3.343 85 HB2 ALA 11 2HB PRG 11 -2.646 2.769 3.596 86 H PHE 12 H PHE 12 -4.448 0.844 0.660 87 HA PHE 12 HA PHE 12 -6.084 3.202 0.041 88 HB2 PHE 12 2HB PHE 12 -6.273 0.407 -1.087 89 HB3 PHE 12 1HB PHE 12 -7.252 1.767 -1.564 90 HD1 PHE 12 1HD PHE 12 -6.601 3.145 -3.313 91 HD2 PHE 12 2HD PHE 12 -3.727 0.559 -1.555 92 HE1 PHE 12 1HE PHE 12 -5.024 3.661 -5.133 93 HE2 PHE 12 2HE PHE 12 -2.144 1.073 -3.362 94 HZ PHE 12 HZ PHE 12 -2.794 2.623 -5.161 95 HA PRO 13 HA PRO 13 -8.635 2.052 3.487 96 HB2 PRO 13 2HB PRO 13 -11.011 3.093 2.547 97 HB3 PRO 13 1HB PRO 13 -9.748 4.013 3.370 98 HG2 PRO 13 2HG PRO 13 -10.279 3.720 0.442 99 HG3 PRO 13 1HG PRO 13 -9.835 5.172 1.358 100 HD2 PRO 13 2HD PRO 13 -8.033 3.874 -0.100 101 HD3 PRO 13 1HD PRO 13 -7.589 4.550 1.482 102 H ASP 14 H ASP 14 -9.296 0.854 0.313 103 HA ASP 14 HA ASP 14 -11.513 -0.760 1.231 104 HB2 ASP 14 2HB ASP 14 -11.666 -1.610 -1.043 105 HB3 ASP 14 1HB ASP 14 -11.535 0.139 -1.076 106 H1 WMH 101 1HG AZH 3 -2.304 -1.322 4.241 107 H2 WMH 101 2HG AZH 3 -2.553 -0.624 2.687 108 H5 WMH 101 HD PRG 11 0.059 3.030 3.803 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -8.279 -1.049 1.641 2 HA2 GLY 1 2HA GLY 1 -7.584 -2.861 2.926 3 HA3 GLY 1 1HA GLY 1 -8.599 -3.920 1.945 4 H ARG 2 H ARG 2 -6.184 -1.582 0.952 5 HA ARG 2 HA ARG 2 -4.585 -3.773 -0.189 6 HB2 ARG 2 2HB ARG 2 -6.050 -2.615 -1.896 7 HB3 ARG 2 1HB ARG 2 -5.161 -1.147 -1.544 8 HG2 ARG 2 2HG ARG 2 -3.083 -2.283 -2.262 9 HG3 ARG 2 1HG ARG 2 -4.067 -3.664 -2.757 10 HD2 ARG 2 2HD ARG 2 -4.183 -0.846 -3.820 11 HD3 ARG 2 1HD ARG 2 -3.698 -2.301 -4.691 12 HE ARG 2 HE ARG 2 -6.097 -3.030 -4.202 13 HH11 ARG 2 1HH1 ARG 2 -5.097 0.287 -4.985 14 HH12 ARG 2 2HH1 ARG 2 -6.628 0.778 -5.542 15 HH21 ARG 2 1HH2 ARG 2 -8.219 -2.356 -5.015 16 HH22 ARG 2 2HH2 ARG 2 -8.440 -0.764 -5.562 17 H ALA 3 H AZH 3 -2.555 -3.593 0.502 18 HA ALA 3 HA AZH 3 -1.455 -0.970 1.094 19 HB2 ALA 3 1HB AZH 3 -0.316 -2.360 3.081 20 HB3 ALA 3 2HB AZH 3 -1.850 -3.216 2.995 21 H THR 4 H THR 4 0.669 -0.729 0.565 22 HA THR 4 HA THR 4 1.844 -2.995 -0.749 23 HB THR 4 HB THR 4 3.473 -1.265 -1.567 24 HG1 THR 4 1HG THR 4 3.319 0.752 -0.927 25 HG21 THR 4 1HG2 THR 4 1.918 -0.187 -3.134 26 HG22 THR 4 2HG2 THR 4 0.563 -0.654 -2.109 27 HG23 THR 4 3HG2 THR 4 1.520 -1.893 -2.920 28 H LYS 5 H LYS 5 3.687 -3.887 -0.022 29 HA LYS 5 HA LYS 5 4.713 -2.848 2.497 30 HB2 LYS 5 2HB LYS 5 5.670 -5.129 2.902 31 HB3 LYS 5 1HB LYS 5 3.932 -5.098 2.833 32 HG2 LYS 5 2HG LYS 5 4.457 -7.032 1.671 33 HG3 LYS 5 1HG LYS 5 4.222 -5.866 0.375 34 HD2 LYS 5 2HD LYS 5 6.177 -7.218 -0.085 35 HD3 LYS 5 1HD LYS 5 6.684 -5.564 0.271 36 HE2 LYS 5 2HE LYS 5 7.270 -6.226 2.558 37 HE3 LYS 5 1HE LYS 5 6.696 -7.860 2.235 38 HZ1 LYS 5 1HZ LYS 5 9.133 -7.576 2.109 39 HZ2 LYS 5 2HZ LYS 5 8.924 -6.581 0.751 40 HZ3 LYS 5 3HZ LYS 5 8.457 -8.191 0.704 41 H SER 6 H SER 6 5.233 -2.541 -0.534 42 HA SER 6 HA SER 6 8.150 -2.466 -0.369 43 HB2 SER 6 2HB SER 6 6.302 -2.217 -2.762 44 HB3 SER 6 1HB SER 6 8.062 -2.248 -2.829 45 HG SER 6 HG SER 6 7.809 -4.349 -1.674 46 H ILE 7 H ILE 7 8.908 -0.384 -1.841 47 HA ILE 7 HA ILE 7 7.860 1.845 -0.312 48 HB ILE 7 HB ILE 7 10.278 1.649 -2.146 49 HG12 ILE 7 2HG1 ILE 7 10.130 1.640 0.879 50 HG13 ILE 7 1HG1 ILE 7 10.394 0.220 -0.121 51 HG21 ILE 7 1HG2 ILE 7 11.006 3.761 -1.131 52 HG22 ILE 7 2HG2 ILE 7 9.511 3.834 -0.200 53 HG23 ILE 7 3HG2 ILE 7 9.460 3.955 -1.959 54 HD11 ILE 7 1HD1 ILE 7 12.218 2.605 0.082 55 HD12 ILE 7 2HD1 ILE 7 12.499 1.172 -0.908 56 HD13 ILE 7 3HD1 ILE 7 12.467 1.038 0.851 57 HA PRO 8 HA PRO 8 7.202 3.719 -0.193 58 HB2 PRO 8 2HB PRO 8 4.867 5.257 -0.829 59 HB3 PRO 8 1HB PRO 8 6.518 5.844 -0.647 60 HG2 PRO 8 2HG PRO 8 5.130 5.851 -3.027 61 HG3 PRO 8 1HG PRO 8 6.896 5.839 -2.904 62 HD2 PRO 8 2HD PRO 8 5.017 3.549 -3.375 63 HD3 PRO 8 1HD PRO 8 6.571 3.915 -4.161 64 HA PRO 9 HA PRO 9 3.799 1.252 1.334 65 HB2 PRO 9 2HB PRO 9 3.551 2.201 3.859 66 HB3 PRO 9 1HB PRO 9 4.916 1.198 3.363 67 HG2 PRO 9 2HG PRO 9 4.787 4.141 3.783 68 HG3 PRO 9 1HG PRO 9 6.122 3.021 4.093 69 HD2 PRO 9 2HD PRO 9 5.897 4.690 1.873 70 HD3 PRO 9 1HD PRO 9 6.939 3.260 1.976 71 H ILE 10 H ILE 10 2.109 1.932 0.083 72 HA ILE 10 HA ILE 10 0.611 4.279 1.003 73 HB ILE 10 HB ILE 10 0.599 2.984 -1.749 74 HG12 ILE 10 2HG1 ILE 10 1.823 5.616 -0.874 75 HG13 ILE 10 1HG1 ILE 10 2.729 4.151 -1.221 76 HG21 ILE 10 1HG2 ILE 10 -1.539 4.038 -1.171 77 HG22 ILE 10 2HG2 ILE 10 -0.710 4.956 -2.428 78 HG23 ILE 10 3HG2 ILE 10 -0.698 5.535 -0.762 79 HD11 ILE 10 1HD1 ILE 10 1.987 4.243 -3.535 80 HD12 ILE 10 2HD1 ILE 10 2.814 5.732 -3.069 81 HD13 ILE 10 3HD1 ILE 10 1.054 5.695 -3.185 82 H ALA 11 H PRG 11 -1.265 3.787 1.951 83 HA ALA 11 HA PRG 11 -2.323 1.163 1.329 84 HB1 ALA 11 1HB PRG 11 -3.364 1.077 3.516 85 HB2 ALA 11 2HB PRG 11 -2.729 2.632 3.964 86 H PHE 12 H PHE 12 -4.249 0.901 0.775 87 HA PHE 12 HA PHE 12 -5.822 3.287 0.094 88 HB2 PHE 12 2HB PHE 12 -5.939 0.524 -1.147 89 HB3 PHE 12 1HB PHE 12 -6.785 1.947 -1.695 90 HD1 PHE 12 1HD PHE 12 -5.836 3.364 -3.293 91 HD2 PHE 12 2HD PHE 12 -3.358 0.516 -1.328 92 HE1 PHE 12 1HE PHE 12 -4.004 3.861 -4.867 93 HE2 PHE 12 2HE PHE 12 -1.532 1.015 -2.893 94 HZ PHE 12 HZ PHE 12 -1.856 2.691 -4.666 95 HA PRO 13 HA PRO 13 -8.685 1.685 3.232 96 HB2 PRO 13 2HB PRO 13 -10.674 3.223 1.653 97 HB3 PRO 13 1HB PRO 13 -10.295 3.317 3.375 98 HG2 PRO 13 2HG PRO 13 -9.480 5.223 1.727 99 HG3 PRO 13 1HG PRO 13 -8.417 4.644 3.023 100 HD2 PRO 13 2HD PRO 13 -8.355 4.029 0.094 101 HD3 PRO 13 1HD PRO 13 -7.022 4.364 1.217 102 H ASP 14 H ASP 14 -8.625 0.769 0.113 103 HA ASP 14 HA ASP 14 -11.082 -0.767 0.029 104 HB2 ASP 14 2HB ASP 14 -8.714 -0.587 -1.831 105 HB3 ASP 14 1HB ASP 14 -10.041 -1.713 -2.080 106 H1 WMH 101 1HG AZH 3 -2.579 -1.495 4.442 107 H2 WMH 101 2HG AZH 3 -2.701 -0.713 2.912 108 H5 WMH 101 HD PRG 11 0.004 2.787 4.349 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -8.073 -1.104 1.217 2 HA2 GLY 1 2HA GLY 1 -7.441 -2.976 2.576 3 HA3 GLY 1 1HA GLY 1 -8.388 -4.014 1.505 4 H ARG 2 H ARG 2 -6.045 -1.474 0.810 5 HA ARG 2 HA ARG 2 -4.368 -3.477 -0.501 6 HB2 ARG 2 2HB ARG 2 -5.817 -2.526 -2.238 7 HB3 ARG 2 1HB ARG 2 -5.334 -0.910 -1.781 8 HG2 ARG 2 2HG ARG 2 -4.223 -1.536 -3.823 9 HG3 ARG 2 1HG ARG 2 -3.032 -1.406 -2.537 10 HD2 ARG 2 2HD ARG 2 -4.265 -4.035 -3.313 11 HD3 ARG 2 1HD ARG 2 -2.861 -3.400 -4.157 12 HE ARG 2 HE ARG 2 -1.792 -3.386 -1.866 13 HH11 ARG 2 1HH1 ARG 2 -4.311 -5.757 -2.711 14 HH12 ARG 2 2HH1 ARG 2 -3.661 -6.970 -1.713 15 HH21 ARG 2 1HH2 ARG 2 -0.936 -5.080 -0.508 16 HH22 ARG 2 2HH2 ARG 2 -1.747 -6.586 -0.440 17 H ALA 3 H AZH 3 -2.660 -3.332 0.737 18 HA ALA 3 HA AZH 3 -1.366 -0.726 1.036 19 HB2 ALA 3 1HB AZH 3 -0.215 -2.117 3.017 20 HB3 ALA 3 2HB AZH 3 -1.771 -2.931 2.992 21 H THR 4 H THR 4 0.729 -0.594 0.436 22 HA THR 4 HA THR 4 1.845 -3.012 -0.670 23 HB THR 4 HB THR 4 3.501 -1.440 -1.708 24 HG1 THR 4 1HG THR 4 3.348 0.674 -1.403 25 HG21 THR 4 1HG2 THR 4 1.953 -0.521 -3.396 26 HG22 THR 4 2HG2 THR 4 0.601 -0.835 -2.312 27 HG23 THR 4 3HG2 THR 4 1.528 -2.179 -2.972 28 H LYS 5 H LYS 5 3.644 -3.863 0.158 29 HA LYS 5 HA LYS 5 4.541 -2.800 2.734 30 HB2 LYS 5 2HB LYS 5 5.063 -5.477 1.429 31 HB3 LYS 5 1HB LYS 5 5.556 -5.023 3.056 32 HG2 LYS 5 2HG LYS 5 3.196 -4.774 3.687 33 HG3 LYS 5 1HG LYS 5 2.721 -5.262 2.065 34 HD2 LYS 5 2HD LYS 5 4.271 -6.945 4.031 35 HD3 LYS 5 1HD LYS 5 2.554 -7.112 3.671 36 HE2 LYS 5 2HE LYS 5 3.158 -7.590 1.300 37 HE3 LYS 5 1HE LYS 5 4.855 -7.535 1.771 38 HZ1 LYS 5 1HZ LYS 5 4.446 -9.406 3.275 39 HZ2 LYS 5 2HZ LYS 5 4.074 -9.789 1.689 40 HZ3 LYS 5 3HZ LYS 5 2.835 -9.476 2.763 41 H SER 6 H SER 6 5.252 -2.630 -0.391 42 HA SER 6 HA SER 6 8.142 -2.483 -0.052 43 HB2 SER 6 2HB SER 6 6.475 -2.409 -2.577 44 HB3 SER 6 1HB SER 6 8.223 -2.634 -2.450 45 HG SER 6 HG SER 6 7.652 -4.552 -1.142 46 H ILE 7 H ILE 7 9.149 -0.538 -1.005 47 HA ILE 7 HA ILE 7 7.779 1.802 -0.111 48 HB ILE 7 HB ILE 7 10.515 1.434 -1.364 49 HG12 ILE 7 2HG1 ILE 7 9.696 1.844 1.519 50 HG13 ILE 7 1HG1 ILE 7 10.185 0.312 0.810 51 HG21 ILE 7 1HG2 ILE 7 11.050 3.675 -0.539 52 HG22 ILE 7 2HG2 ILE 7 9.391 3.868 0.022 53 HG23 ILE 7 3HG2 ILE 7 9.725 3.729 -1.706 54 HD11 ILE 7 1HD1 ILE 7 11.983 1.304 2.086 55 HD12 ILE 7 2HD1 ILE 7 11.900 2.766 1.105 56 HD13 ILE 7 3HD1 ILE 7 12.403 1.240 0.374 57 HA PRO 8 HA PRO 8 7.254 3.729 -0.261 58 HB2 PRO 8 2HB PRO 8 5.069 5.220 -1.375 59 HB3 PRO 8 1HB PRO 8 6.686 5.804 -0.983 60 HG2 PRO 8 2HG PRO 8 5.698 5.621 -3.544 61 HG3 PRO 8 1HG PRO 8 7.420 5.590 -3.139 62 HD2 PRO 8 2HD PRO 8 5.569 3.306 -3.710 63 HD3 PRO 8 1HD PRO 8 7.236 3.562 -4.272 64 HA PRO 9 HA PRO 9 3.810 1.134 0.901 65 HB2 PRO 9 2HB PRO 9 3.551 1.955 3.492 66 HB3 PRO 9 1HB PRO 9 4.806 0.835 2.955 67 HG2 PRO 9 2HG PRO 9 4.992 3.752 3.535 68 HG3 PRO 9 1HG PRO 9 6.173 2.471 3.845 69 HD2 PRO 9 2HD PRO 9 6.324 4.232 1.746 70 HD3 PRO 9 1HD PRO 9 7.052 2.614 1.738 71 H ILE 10 H ILE 10 2.089 1.813 -0.166 72 HA ILE 10 HA ILE 10 0.687 4.198 0.792 73 HB ILE 10 HB ILE 10 -0.425 4.283 -1.432 74 HG12 ILE 10 2HG1 ILE 10 1.503 2.054 -2.176 75 HG13 ILE 10 1HG1 ILE 10 -0.237 1.885 -2.019 76 HG21 ILE 10 1HG2 ILE 10 2.590 4.298 -1.548 77 HG22 ILE 10 2HG2 ILE 10 1.558 5.635 -1.046 78 HG23 ILE 10 3HG2 ILE 10 1.523 5.072 -2.717 79 HD11 ILE 10 1HD1 ILE 10 1.207 3.562 -4.060 80 HD12 ILE 10 2HD1 ILE 10 -0.542 3.420 -3.909 81 HD13 ILE 10 3HD1 ILE 10 0.422 2.009 -4.349 82 H ALA 11 H PRG 11 -1.499 4.002 1.317 83 HA ALA 11 HA PRG 11 -2.483 1.274 1.224 84 HB1 ALA 11 1HB PRG 11 -3.287 1.314 3.488 85 HB2 ALA 11 2HB PRG 11 -2.678 2.914 3.784 86 H PHE 12 H PHE 12 -4.456 0.976 0.911 87 HA PHE 12 HA PHE 12 -6.216 3.300 0.509 88 HB2 PHE 12 2HB PHE 12 -6.153 0.688 -1.012 89 HB3 PHE 12 1HB PHE 12 -7.294 1.991 -1.276 90 HD1 PHE 12 1HD PHE 12 -3.761 0.990 -1.617 91 HD2 PHE 12 2HD PHE 12 -6.731 3.873 -2.569 92 HE1 PHE 12 1HE PHE 12 -2.250 1.994 -3.271 93 HE2 PHE 12 2HE PHE 12 -5.236 4.878 -4.217 94 HZ PHE 12 HZ PHE 12 -2.982 3.945 -4.573 95 HA PRO 13 HA PRO 13 -8.722 1.298 3.680 96 HB2 PRO 13 2HB PRO 13 -10.889 2.764 2.252 97 HB3 PRO 13 1HB PRO 13 -10.493 2.729 3.975 98 HG2 PRO 13 2HG PRO 13 -9.858 4.850 2.529 99 HG3 PRO 13 1HG PRO 13 -8.738 4.215 3.746 100 HD2 PRO 13 2HD PRO 13 -8.634 3.943 0.766 101 HD3 PRO 13 1HD PRO 13 -7.324 4.204 1.936 102 H ASP 14 H ASP 14 -9.149 1.019 0.316 103 HA ASP 14 HA ASP 14 -11.285 -0.820 0.065 104 HB2 ASP 14 2HB ASP 14 -8.767 -0.628 -1.620 105 HB3 ASP 14 1HB ASP 14 -10.237 -1.471 -2.073 106 H1 WMH 101 1HG AZH 3 -2.324 -1.176 4.494 107 H2 WMH 101 2HG AZH 3 -2.632 -0.475 2.950 108 H5 WMH 101 HD PRG 11 0.035 3.195 3.955 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -8.039 -1.097 1.373 2 HA2 GLY 1 2HA GLY 1 -7.569 -2.749 3.166 3 HA3 GLY 1 1HA GLY 1 -8.636 -3.839 2.285 4 H ARG 2 H ARG 2 -6.210 -1.653 0.955 5 HA ARG 2 HA ARG 2 -4.614 -3.962 0.128 6 HB2 ARG 2 2HB ARG 2 -5.444 -1.645 -1.653 7 HB3 ARG 2 1HB ARG 2 -4.254 -2.856 -2.089 8 HG2 ARG 2 2HG ARG 2 -7.154 -3.455 -1.503 9 HG3 ARG 2 1HG ARG 2 -6.499 -3.166 -3.114 10 HD2 ARG 2 2HD ARG 2 -5.604 -5.364 -1.253 11 HD3 ARG 2 1HD ARG 2 -6.754 -5.566 -2.571 12 HE ARG 2 HE ARG 2 -4.372 -4.412 -3.539 13 HH11 ARG 2 1HH1 ARG 2 -5.633 -7.541 -2.446 14 HH12 ARG 2 2HH1 ARG 2 -4.526 -8.459 -3.356 15 HH21 ARG 2 1HH2 ARG 2 -2.855 -5.713 -4.833 16 HH22 ARG 2 2HH2 ARG 2 -2.945 -7.414 -4.710 17 H ALA 3 H AZH 3 -2.503 -3.636 0.517 18 HA ALA 3 HA AZH 3 -1.413 -0.942 0.797 19 HB2 ALA 3 1HB AZH 3 -0.131 -2.076 2.852 20 HB3 ALA 3 2HB AZH 3 -1.638 -2.967 2.970 21 H THR 4 H THR 4 0.596 -0.750 -0.043 22 HA THR 4 HA THR 4 1.748 -3.109 -1.169 23 HB THR 4 HB THR 4 3.475 -1.526 -2.057 24 HG1 THR 4 1HG THR 4 3.730 0.239 -1.035 25 HG21 THR 4 1HG2 THR 4 0.630 -0.616 -2.492 26 HG22 THR 4 2HG2 THR 4 1.448 -1.913 -3.365 27 HG23 THR 4 3HG2 THR 4 1.996 -0.246 -3.541 28 H LYS 5 H LYS 5 3.608 -4.063 -0.490 29 HA LYS 5 HA LYS 5 4.485 -3.370 2.192 30 HB2 LYS 5 2HB LYS 5 5.208 -5.729 0.446 31 HB3 LYS 5 1HB LYS 5 5.695 -5.519 2.123 32 HG2 LYS 5 2HG LYS 5 3.317 -5.551 2.783 33 HG3 LYS 5 1HG LYS 5 2.883 -5.856 1.104 34 HD2 LYS 5 2HD LYS 5 4.168 -7.936 1.150 35 HD3 LYS 5 1HD LYS 5 4.615 -7.629 2.828 36 HE2 LYS 5 2HE LYS 5 2.210 -7.616 3.407 37 HE3 LYS 5 1HE LYS 5 1.839 -8.067 1.746 38 HZ1 LYS 5 1HZ LYS 5 3.127 -10.098 2.062 39 HZ2 LYS 5 2HZ LYS 5 1.872 -9.990 3.179 40 HZ3 LYS 5 3HZ LYS 5 3.447 -9.659 3.663 41 H SER 6 H SER 6 5.192 -2.606 -0.853 42 HA SER 6 HA SER 6 8.057 -2.273 -0.495 43 HB2 SER 6 2HB SER 6 6.274 -1.644 -2.847 44 HB3 SER 6 1HB SER 6 8.041 -1.671 -2.848 45 HG SER 6 HG SER 6 7.960 -3.869 -2.412 46 H ILE 7 H ILE 7 8.854 -0.381 0.103 47 HA ILE 7 HA ILE 7 7.161 1.890 0.627 48 HB ILE 7 HB ILE 7 10.131 1.374 1.029 49 HG12 ILE 7 2HG1 ILE 7 7.853 1.497 3.016 50 HG13 ILE 7 1HG1 ILE 7 8.607 0.022 2.426 51 HG21 ILE 7 1HG2 ILE 7 8.554 3.758 2.018 52 HG22 ILE 7 2HG2 ILE 7 9.753 3.777 0.729 53 HG23 ILE 7 3HG2 ILE 7 10.235 3.379 2.377 54 HD11 ILE 7 1HD1 ILE 7 9.928 2.176 4.060 55 HD12 ILE 7 2HD1 ILE 7 10.702 0.697 3.487 56 HD13 ILE 7 3HD1 ILE 7 9.379 0.606 4.650 57 HA PRO 8 HA PRO 8 7.166 4.320 0.568 58 HB2 PRO 8 2HB PRO 8 5.524 5.418 -1.617 59 HB3 PRO 8 1HB PRO 8 6.445 6.267 -0.372 60 HG2 PRO 8 2HG PRO 8 7.258 6.260 -2.914 61 HG3 PRO 8 1HG PRO 8 8.419 6.173 -1.577 62 HD2 PRO 8 2HD PRO 8 7.347 3.960 -3.292 63 HD3 PRO 8 1HD PRO 8 9.026 4.291 -2.818 64 HA PRO 9 HA PRO 9 3.838 1.323 0.443 65 HB2 PRO 9 2HB PRO 9 2.969 2.199 3.039 66 HB3 PRO 9 1HB PRO 9 3.828 0.719 2.624 67 HG2 PRO 9 2HG PRO 9 4.901 2.782 4.089 68 HG3 PRO 9 1HG PRO 9 5.844 1.591 3.177 69 HD2 PRO 9 2HD PRO 9 5.126 4.397 2.472 70 HD3 PRO 9 1HD PRO 9 6.617 3.474 2.166 71 H ILE 10 H ILE 10 2.092 1.687 -0.620 72 HA ILE 10 HA ILE 10 0.536 4.112 -0.124 73 HB ILE 10 HB ILE 10 0.590 2.284 -2.555 74 HG12 ILE 10 2HG1 ILE 10 1.655 5.101 -2.216 75 HG13 ILE 10 1HG1 ILE 10 2.642 3.649 -2.279 76 HG21 ILE 10 1HG2 ILE 10 -1.613 3.287 -2.219 77 HG22 ILE 10 2HG2 ILE 10 -0.820 3.993 -3.626 78 HG23 ILE 10 3HG2 ILE 10 -0.882 4.888 -2.109 79 HD11 ILE 10 1HD1 ILE 10 0.919 4.725 -4.501 80 HD12 ILE 10 2HD1 ILE 10 1.907 3.265 -4.580 81 HD13 ILE 10 3HD1 ILE 10 2.675 4.841 -4.392 82 H ALA 11 H PRG 11 -1.328 3.784 0.947 83 HA ALA 11 HA PRG 11 -2.386 1.080 0.838 84 HB1 ALA 11 1HB PRG 11 -3.240 1.296 3.078 85 HB2 ALA 11 2HB PRG 11 -2.628 2.912 3.258 86 H PHE 12 H PHE 12 -4.390 0.781 0.569 87 HA PHE 12 HA PHE 12 -6.040 3.095 -0.156 88 HB2 PHE 12 2HB PHE 12 -6.229 0.235 -1.137 89 HB3 PHE 12 1HB PHE 12 -7.165 1.601 -1.717 90 HD1 PHE 12 1HD PHE 12 -3.975 -0.149 -1.884 91 HD2 PHE 12 2HD PHE 12 -6.111 3.305 -3.145 92 HE1 PHE 12 1HE PHE 12 -2.293 0.255 -3.621 93 HE2 PHE 12 2HE PHE 12 -4.435 3.710 -4.881 94 HZ PHE 12 HZ PHE 12 -2.519 2.186 -5.124 95 HA PRO 13 HA PRO 13 -8.311 1.906 3.585 96 HB2 PRO 13 2HB PRO 13 -10.483 3.278 2.060 97 HB3 PRO 13 1HB PRO 13 -9.984 3.492 3.745 98 HG2 PRO 13 2HG PRO 13 -9.262 5.295 1.977 99 HG3 PRO 13 1HG PRO 13 -8.078 4.711 3.158 100 HD2 PRO 13 2HD PRO 13 -8.367 3.996 0.264 101 HD3 PRO 13 1HD PRO 13 -6.898 4.309 1.213 102 H ASP 14 H ASP 14 -9.130 1.024 0.415 103 HA ASP 14 HA ASP 14 -11.404 -0.592 0.644 104 HB2 ASP 14 2HB ASP 14 -8.955 -1.024 -1.075 105 HB3 ASP 14 1HB ASP 14 -10.555 -1.688 -1.363 106 H1 WMH 101 1HG AZH 3 -2.287 -1.121 4.286 107 H2 WMH 101 2HG AZH 3 -2.584 -0.521 2.698 108 H5 WMH 101 HD PRG 11 0.066 3.211 3.485 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -8.248 -0.999 1.321 2 HA2 GLY 1 2HA GLY 1 -7.997 -2.689 3.046 3 HA3 GLY 1 1HA GLY 1 -8.894 -3.797 2.013 4 H ARG 2 H ARG 2 -6.343 -1.607 1.018 5 HA ARG 2 HA ARG 2 -4.626 -3.915 0.429 6 HB2 ARG 2 2HB ARG 2 -5.331 -1.601 -1.363 7 HB3 ARG 2 1HB ARG 2 -3.912 -2.597 -1.618 8 HG2 ARG 2 2HG ARG 2 -5.252 -4.518 -2.040 9 HG3 ARG 2 1HG ARG 2 -6.714 -3.671 -1.530 10 HD2 ARG 2 2HD ARG 2 -6.430 -3.853 -4.004 11 HD3 ARG 2 1HD ARG 2 -6.607 -2.204 -3.410 12 HE ARG 2 HE ARG 2 -3.870 -2.985 -3.644 13 HH11 ARG 2 1HH1 ARG 2 -6.630 -1.829 -5.506 14 HH12 ARG 2 2HH1 ARG 2 -5.685 -1.051 -6.691 15 HH21 ARG 2 1HH2 ARG 2 -2.578 -1.937 -5.257 16 HH22 ARG 2 2HH2 ARG 2 -3.315 -1.153 -6.573 17 H ALA 3 H AZH 3 -2.497 -3.598 0.802 18 HA ALA 3 HA AZH 3 -1.443 -0.970 1.302 19 HB2 ALA 3 1HB AZH 3 -0.336 -2.178 3.441 20 HB3 ALA 3 2HB AZH 3 -1.887 -3.013 3.402 21 H THR 4 H THR 4 0.598 -0.806 0.672 22 HA THR 4 HA THR 4 1.708 -3.169 -0.558 23 HB THR 4 HB THR 4 3.283 -1.392 -1.557 24 HG1 THR 4 1HG THR 4 1.248 0.418 -1.095 25 HG21 THR 4 1HG2 THR 4 1.619 -0.757 -3.246 26 HG22 THR 4 2HG2 THR 4 0.325 -1.261 -2.161 27 HG23 THR 4 3HG2 THR 4 1.444 -2.460 -2.814 28 H LYS 5 H LYS 5 3.707 -3.935 -0.144 29 HA LYS 5 HA LYS 5 5.045 -2.917 2.243 30 HB2 LYS 5 2HB LYS 5 5.165 -5.643 0.920 31 HB3 LYS 5 1HB LYS 5 6.194 -5.171 2.264 32 HG2 LYS 5 2HG LYS 5 4.241 -4.828 3.674 33 HG3 LYS 5 1HG LYS 5 3.182 -5.238 2.332 34 HD2 LYS 5 2HD LYS 5 4.060 -7.507 2.302 35 HD3 LYS 5 1HD LYS 5 5.215 -7.097 3.574 36 HE2 LYS 5 2HE LYS 5 3.402 -6.650 5.120 37 HE3 LYS 5 1HE LYS 5 2.215 -6.944 3.853 38 HZ1 LYS 5 1HZ LYS 5 4.112 -8.985 4.886 39 HZ2 LYS 5 2HZ LYS 5 2.814 -9.257 3.820 40 HZ3 LYS 5 3HZ LYS 5 2.531 -8.793 5.406 41 H SER 6 H SER 6 5.061 -2.338 -0.760 42 HA SER 6 HA SER 6 7.880 -2.414 -1.393 43 HB2 SER 6 2HB SER 6 5.529 -1.138 -2.820 44 HB3 SER 6 1HB SER 6 7.132 -1.408 -3.505 45 HG SER 6 HG SER 6 6.808 -3.595 -3.356 46 H ILE 7 H ILE 7 8.748 -0.148 -2.168 47 HA ILE 7 HA ILE 7 8.030 1.775 -0.081 48 HB ILE 7 HB ILE 7 10.520 1.715 -1.812 49 HG12 ILE 7 2HG1 ILE 7 10.487 -0.218 -0.287 50 HG13 ILE 7 1HG1 ILE 7 11.736 0.929 0.178 51 HG21 ILE 7 1HG2 ILE 7 9.973 3.947 -1.044 52 HG22 ILE 7 2HG2 ILE 7 11.406 3.347 -0.203 53 HG23 ILE 7 3HG2 ILE 7 9.849 3.367 0.618 54 HD11 ILE 7 1HD1 ILE 7 9.051 0.587 1.473 55 HD12 ILE 7 2HD1 ILE 7 10.272 1.767 1.945 56 HD13 ILE 7 3HD1 ILE 7 10.600 0.041 2.119 57 HA PRO 8 HA PRO 8 7.444 3.567 0.369 58 HB2 PRO 8 2HB PRO 8 5.603 5.462 0.343 59 HB3 PRO 8 1HB PRO 8 7.257 5.820 -0.172 60 HG2 PRO 8 2HG PRO 8 4.816 5.355 -1.824 61 HG3 PRO 8 1HG PRO 8 6.121 6.528 -2.063 62 HD2 PRO 8 2HD PRO 8 5.904 4.061 -3.352 63 HD3 PRO 8 1HD PRO 8 7.382 5.029 -3.227 64 HA PRO 9 HA PRO 9 3.822 1.077 1.090 65 HB2 PRO 9 2HB PRO 9 3.275 1.737 3.677 66 HB3 PRO 9 1HB PRO 9 4.592 0.656 3.218 67 HG2 PRO 9 2HG PRO 9 4.679 3.534 3.973 68 HG3 PRO 9 1HG PRO 9 5.835 2.243 4.345 69 HD2 PRO 9 2HD PRO 9 6.210 4.118 2.384 70 HD3 PRO 9 1HD PRO 9 6.934 2.499 2.351 71 H ILE 10 H ILE 10 2.281 1.855 -0.136 72 HA ILE 10 HA ILE 10 0.696 4.169 0.737 73 HB ILE 10 HB ILE 10 0.690 2.723 -1.943 74 HG12 ILE 10 2HG1 ILE 10 1.862 5.420 -1.231 75 HG13 ILE 10 1HG1 ILE 10 2.802 3.958 -1.502 76 HG21 ILE 10 1HG2 ILE 10 -0.651 4.637 -2.726 77 HG22 ILE 10 2HG2 ILE 10 -0.658 5.294 -1.090 78 HG23 ILE 10 3HG2 ILE 10 -1.459 3.762 -1.425 79 HD11 ILE 10 1HD1 ILE 10 2.009 3.907 -3.823 80 HD12 ILE 10 2HD1 ILE 10 2.844 5.412 -3.445 81 HD13 ILE 10 3HD1 ILE 10 1.082 5.375 -3.529 82 H ALA 11 H PRG 11 -1.316 3.773 1.494 83 HA ALA 11 HA PRG 11 -2.290 1.043 1.197 84 HB1 ALA 11 1HB PRG 11 -3.409 1.250 3.336 85 HB2 ALA 11 2HB PRG 11 -2.817 2.865 3.581 86 H PHE 12 H PHE 12 -4.406 0.753 0.878 87 HA PHE 12 HA PHE 12 -5.870 3.096 -0.113 88 HB2 PHE 12 2HB PHE 12 -5.952 0.269 -1.220 89 HB3 PHE 12 1HB PHE 12 -6.857 1.641 -1.830 90 HD1 PHE 12 1HD PHE 12 -5.702 3.465 -3.031 91 HD2 PHE 12 2HD PHE 12 -3.642 -0.060 -1.805 92 HE1 PHE 12 1HE PHE 12 -3.856 4.002 -4.560 93 HE2 PHE 12 2HE PHE 12 -1.802 0.478 -3.326 94 HZ PHE 12 HZ PHE 12 -1.901 2.514 -4.709 95 HA PRO 13 HA PRO 13 -8.727 1.926 3.101 96 HB2 PRO 13 2HB PRO 13 -10.982 3.119 2.041 97 HB3 PRO 13 1HB PRO 13 -9.738 3.975 2.957 98 HG2 PRO 13 2HG PRO 13 -10.098 3.759 -0.004 99 HG3 PRO 13 1HG PRO 13 -9.655 5.174 0.968 100 HD2 PRO 13 2HD PRO 13 -7.829 3.810 -0.419 101 HD3 PRO 13 1HD PRO 13 -7.447 4.487 1.179 102 H ASP 14 H ASP 14 -8.994 0.976 -0.125 103 HA ASP 14 HA ASP 14 -11.325 -0.620 -0.118 104 HB2 ASP 14 2HB ASP 14 -8.781 -1.012 -1.706 105 HB3 ASP 14 1HB ASP 14 -10.336 -1.738 -2.060 106 H1 WMH 101 1HG AZH 3 -2.575 -1.148 4.711 107 H2 WMH 101 2HG AZH 3 -2.743 -0.567 3.104 108 H5 WMH 101 HD PRG 11 -0.107 3.137 4.024 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -8.154 -0.788 1.677 2 HA2 GLY 1 2HA GLY 1 -7.644 -2.162 3.529 3 HA3 GLY 1 1HA GLY 1 -8.661 -3.425 2.843 4 H ARG 2 H ARG 2 -6.312 -1.571 1.094 5 HA ARG 2 HA ARG 2 -4.732 -4.010 0.692 6 HB2 ARG 2 2HB ARG 2 -5.353 -1.858 -1.346 7 HB3 ARG 2 1HB ARG 2 -4.326 -3.261 -1.594 8 HG2 ARG 2 2HG ARG 2 -6.208 -4.743 -1.387 9 HG3 ARG 2 1HG ARG 2 -7.268 -3.391 -0.980 10 HD2 ARG 2 2HD ARG 2 -7.550 -4.027 -3.313 11 HD3 ARG 2 1HD ARG 2 -6.860 -2.413 -3.191 12 HE ARG 2 HE ARG 2 -4.712 -4.085 -3.404 13 HH11 ARG 2 1HH1 ARG 2 -7.520 -3.338 -5.425 14 HH12 ARG 2 2HH1 ARG 2 -6.754 -3.770 -6.878 15 HH21 ARG 2 1HH2 ARG 2 -3.686 -4.724 -5.391 16 HH22 ARG 2 2HH2 ARG 2 -4.524 -4.603 -6.862 17 H ALA 3 H AZH 3 -2.582 -3.735 0.979 18 HA ALA 3 HA AZH 3 -1.475 -1.054 1.116 19 HB2 ALA 3 1HB AZH 3 -0.201 -2.139 3.205 20 HB3 ALA 3 2HB AZH 3 -1.724 -3.008 3.342 21 H THR 4 H THR 4 0.552 -0.905 0.291 22 HA THR 4 HA THR 4 1.559 -3.309 -0.912 23 HB THR 4 HB THR 4 3.128 -1.776 -2.079 24 HG1 THR 4 1HG THR 4 3.387 0.179 -1.447 25 HG21 THR 4 1HG2 THR 4 0.916 -2.216 -3.053 26 HG22 THR 4 2HG2 THR 4 1.448 -0.572 -3.411 27 HG23 THR 4 3HG2 THR 4 0.250 -0.858 -2.148 28 H LYS 5 H LYS 5 3.683 -4.053 -0.617 29 HA LYS 5 HA LYS 5 4.826 -3.386 1.977 30 HB2 LYS 5 2HB LYS 5 5.433 -5.664 0.084 31 HB3 LYS 5 1HB LYS 5 6.211 -5.401 1.639 32 HG2 LYS 5 2HG LYS 5 4.037 -5.673 2.758 33 HG3 LYS 5 1HG LYS 5 3.288 -5.970 1.192 34 HD2 LYS 5 2HD LYS 5 3.716 -8.072 2.326 35 HD3 LYS 5 1HD LYS 5 4.734 -7.942 0.892 36 HE2 LYS 5 2HE LYS 5 6.002 -8.847 2.767 37 HE3 LYS 5 1HE LYS 5 6.630 -7.272 2.317 38 HZ1 LYS 5 1HZ LYS 5 6.449 -7.507 4.710 39 HZ2 LYS 5 2HZ LYS 5 4.807 -7.822 4.600 40 HZ3 LYS 5 3HZ LYS 5 5.406 -6.305 4.178 41 H SER 6 H SER 6 5.089 -2.491 -1.133 42 HA SER 6 HA SER 6 7.928 -2.176 -1.378 43 HB2 SER 6 2HB SER 6 5.679 -0.872 -2.913 44 HB3 SER 6 1HB SER 6 7.353 -1.056 -3.440 45 HG SER 6 HG SER 6 7.054 -3.256 -3.442 46 H ILE 7 H ILE 7 8.956 -0.060 -1.403 47 HA ILE 7 HA ILE 7 7.695 1.848 0.411 48 HB ILE 7 HB ILE 7 10.563 1.648 -0.585 49 HG12 ILE 7 2HG1 ILE 7 9.977 -0.123 1.006 50 HG13 ILE 7 1HG1 ILE 7 11.141 0.993 1.709 51 HG21 ILE 7 1HG2 ILE 7 11.144 3.394 1.023 52 HG22 ILE 7 2HG2 ILE 7 9.447 3.559 1.464 53 HG23 ILE 7 3HG2 ILE 7 9.977 3.978 -0.165 54 HD11 ILE 7 1HD1 ILE 7 9.297 2.067 2.950 55 HD12 ILE 7 2HD1 ILE 7 9.487 0.362 3.341 56 HD13 ILE 7 3HD1 ILE 7 8.181 0.874 2.275 57 HA PRO 8 HA PRO 8 7.276 3.764 0.830 58 HB2 PRO 8 2HB PRO 8 5.433 5.680 0.458 59 HB3 PRO 8 1HB PRO 8 7.163 6.033 0.384 60 HG2 PRO 8 2HG PRO 8 5.197 5.683 -1.831 61 HG3 PRO 8 1HG PRO 8 6.552 6.816 -1.707 62 HD2 PRO 8 2HD PRO 8 6.582 4.427 -3.122 63 HD3 PRO 8 1HD PRO 8 8.020 5.307 -2.578 64 HA PRO 9 HA PRO 9 3.768 1.012 0.634 65 HB2 PRO 9 2HB PRO 9 3.074 1.818 3.357 66 HB3 PRO 9 1HB PRO 9 3.600 0.246 2.763 67 HG2 PRO 9 2HG PRO 9 5.123 1.850 4.311 68 HG3 PRO 9 1HG PRO 9 5.805 0.696 3.149 69 HD2 PRO 9 2HD PRO 9 5.524 3.654 2.959 70 HD3 PRO 9 1HD PRO 9 6.788 2.586 2.314 71 H ILE 10 H ILE 10 2.036 1.553 -0.406 72 HA ILE 10 HA ILE 10 0.622 4.010 0.296 73 HB ILE 10 HB ILE 10 0.287 2.296 -2.193 74 HG12 ILE 10 2HG1 ILE 10 1.869 4.855 -1.868 75 HG13 ILE 10 1HG1 ILE 10 2.575 3.256 -2.044 76 HG21 ILE 10 1HG2 ILE 10 -0.595 5.119 -1.540 77 HG22 ILE 10 2HG2 ILE 10 -1.644 3.705 -1.628 78 HG23 ILE 10 3HG2 ILE 10 -0.845 4.301 -3.082 79 HD11 ILE 10 1HD1 ILE 10 2.648 4.495 -4.127 80 HD12 ILE 10 2HD1 ILE 10 0.894 4.683 -4.091 81 HD13 ILE 10 3HD1 ILE 10 1.607 3.080 -4.278 82 H ALA 11 H PRG 11 -1.292 3.779 1.282 83 HA ALA 11 HA PRG 11 -2.363 1.096 1.224 84 HB1 ALA 11 1HB PRG 11 -3.236 1.357 3.478 85 HB2 ALA 11 2HB PRG 11 -2.534 2.949 3.624 86 H PHE 12 H PHE 12 -4.155 0.786 0.576 87 HA PHE 12 HA PHE 12 -5.728 3.043 -0.419 88 HB2 PHE 12 2HB PHE 12 -5.880 0.122 -1.199 89 HB3 PHE 12 1HB PHE 12 -6.638 1.472 -2.026 90 HD1 PHE 12 1HD PHE 12 -3.634 -0.498 -1.648 91 HD2 PHE 12 2HD PHE 12 -5.198 3.121 -3.244 92 HE1 PHE 12 1HE PHE 12 -1.655 -0.277 -3.069 93 HE2 PHE 12 2HE PHE 12 -3.217 3.349 -4.672 94 HZ PHE 12 HZ PHE 12 -1.433 1.646 -4.585 95 HA PRO 13 HA PRO 13 -8.807 2.475 2.812 96 HB2 PRO 13 2HB PRO 13 -10.587 3.118 0.502 97 HB3 PRO 13 1HB PRO 13 -10.602 3.779 2.139 98 HG2 PRO 13 2HG PRO 13 -9.549 5.201 0.189 99 HG3 PRO 13 1HG PRO 13 -8.732 5.112 1.756 100 HD2 PRO 13 2HD PRO 13 -8.038 3.778 -0.818 101 HD3 PRO 13 1HD PRO 13 -6.979 4.425 0.452 102 H ASP 14 H ASP 14 -8.996 0.889 -0.268 103 HA ASP 14 HA ASP 14 -11.144 -0.887 0.064 104 HB2 ASP 14 2HB ASP 14 -8.567 -1.336 -1.455 105 HB3 ASP 14 1HB ASP 14 -10.057 -2.239 -1.671 106 H1 WMH 101 1HG AZH 3 -2.426 -1.096 4.546 107 H2 WMH 101 2HG AZH 3 -2.579 -0.519 2.933 108 H5 WMH 101 HD PRG 11 0.225 3.080 3.812 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.089 -1.010 1.296 2 HA2 GLY 1 2HA GLY 1 -7.487 -2.679 2.913 3 HA3 GLY 1 1HA GLY 1 -8.464 -3.837 2.010 4 H ARG 2 H ARG 2 -6.163 -1.483 0.761 5 HA ARG 2 HA ARG 2 -4.506 -3.732 -0.098 6 HB2 ARG 2 2HB ARG 2 -5.844 -2.783 -2.007 7 HB3 ARG 2 1HB ARG 2 -5.024 -1.249 -1.753 8 HG2 ARG 2 2HG ARG 2 -2.858 -2.365 -2.200 9 HG3 ARG 2 1HG ARG 2 -3.728 -3.858 -2.516 10 HD2 ARG 2 2HD ARG 2 -3.200 -2.777 -4.613 11 HD3 ARG 2 1HD ARG 2 -4.940 -2.755 -4.349 12 HE ARG 2 HE ARG 2 -3.411 -0.421 -3.552 13 HH11 ARG 2 1HH1 ARG 2 -5.509 -1.920 -5.962 14 HH12 ARG 2 2HH1 ARG 2 -6.048 -0.457 -6.658 15 HH21 ARG 2 1HH2 ARG 2 -4.077 1.633 -4.593 16 HH22 ARG 2 2HH2 ARG 2 -5.175 1.584 -5.894 17 H ALA 3 H AZH 3 -2.538 -3.564 0.570 18 HA ALA 3 HA AZH 3 -1.298 -0.982 1.038 19 HB2 ALA 3 1HB AZH 3 -0.314 -2.297 3.154 20 HB3 ALA 3 2HB AZH 3 -1.893 -3.067 3.071 21 H THR 4 H THR 4 0.753 -0.935 0.359 22 HA THR 4 HA THR 4 1.867 -3.439 -0.526 23 HB THR 4 HB THR 4 3.432 -1.782 -1.733 24 HG1 THR 4 1HG THR 4 2.417 0.231 -2.129 25 HG21 THR 4 1HG2 THR 4 1.762 -3.165 -2.875 26 HG22 THR 4 2HG2 THR 4 1.830 -1.557 -3.592 27 HG23 THR 4 3HG2 THR 4 0.511 -1.981 -2.497 28 H LYS 5 H LYS 5 3.786 -4.114 0.197 29 HA LYS 5 HA LYS 5 4.891 -2.833 2.559 30 HB2 LYS 5 2HB LYS 5 5.742 -5.373 1.152 31 HB3 LYS 5 1HB LYS 5 6.235 -4.863 2.759 32 HG2 LYS 5 2HG LYS 5 3.899 -5.061 3.509 33 HG3 LYS 5 1HG LYS 5 3.454 -5.619 1.899 34 HD2 LYS 5 2HD LYS 5 5.015 -7.524 2.180 35 HD3 LYS 5 1HD LYS 5 5.333 -6.972 3.825 36 HE2 LYS 5 2HE LYS 5 2.662 -7.816 2.717 37 HE3 LYS 5 1HE LYS 5 3.669 -8.758 3.813 38 HZ1 LYS 5 1HZ LYS 5 3.395 -6.990 5.474 39 HZ2 LYS 5 2HZ LYS 5 1.919 -7.644 5.018 40 HZ3 LYS 5 3HZ LYS 5 2.391 -6.144 4.419 41 H SER 6 H SER 6 5.254 -2.862 -0.729 42 HA SER 6 HA SER 6 8.077 -2.415 -0.908 43 HB2 SER 6 2HB SER 6 5.932 -1.901 -2.964 44 HB3 SER 6 1HB SER 6 7.651 -2.226 -3.231 45 HG SER 6 HG SER 6 6.921 -4.220 -1.867 46 H ILE 7 H ILE 7 8.978 -0.506 -0.659 47 HA ILE 7 HA ILE 7 7.557 1.786 0.201 48 HB ILE 7 HB ILE 7 10.447 1.537 -0.715 49 HG12 ILE 7 2HG1 ILE 7 9.258 1.427 2.069 50 HG13 ILE 7 1HG1 ILE 7 9.865 0.049 1.165 51 HG21 ILE 7 1HG2 ILE 7 9.700 3.877 -0.727 52 HG22 ILE 7 2HG2 ILE 7 10.878 3.582 0.552 53 HG23 ILE 7 3HG2 ILE 7 9.166 3.714 0.950 54 HD11 ILE 7 1HD1 ILE 7 11.492 2.394 2.125 55 HD12 ILE 7 2HD1 ILE 7 12.113 1.016 1.219 56 HD13 ILE 7 3HD1 ILE 7 11.460 0.783 2.842 57 HA PRO 8 HA PRO 8 7.143 3.813 0.210 58 HB2 PRO 8 2HB PRO 8 5.053 5.367 -1.001 59 HB3 PRO 8 1HB PRO 8 6.591 5.937 -0.359 60 HG2 PRO 8 2HG PRO 8 5.926 5.996 -3.024 61 HG3 PRO 8 1HG PRO 8 7.588 5.949 -2.416 62 HD2 PRO 8 2HD PRO 8 5.884 3.712 -3.448 63 HD3 PRO 8 1HD PRO 8 7.602 4.052 -3.754 64 HA PRO 9 HA PRO 9 3.673 1.043 0.762 65 HB2 PRO 9 2HB PRO 9 3.226 1.541 3.407 66 HB3 PRO 9 1HB PRO 9 4.535 0.503 2.834 67 HG2 PRO 9 2HG PRO 9 4.625 3.339 3.745 68 HG3 PRO 9 1HG PRO 9 5.792 2.036 4.020 69 HD2 PRO 9 2HD PRO 9 6.107 3.992 2.151 70 HD3 PRO 9 1HD PRO 9 6.827 2.374 2.012 71 H ILE 10 H ILE 10 2.110 1.954 -0.396 72 HA ILE 10 HA ILE 10 0.669 4.183 0.780 73 HB ILE 10 HB ILE 10 -0.375 4.480 -1.487 74 HG12 ILE 10 2HG1 ILE 10 1.764 2.507 -2.363 75 HG13 ILE 10 1HG1 ILE 10 0.036 2.192 -2.369 76 HG21 ILE 10 1HG2 ILE 10 1.441 5.900 -0.773 77 HG22 ILE 10 2HG2 ILE 10 1.626 5.536 -2.491 78 HG23 ILE 10 3HG2 ILE 10 2.623 4.704 -1.303 79 HD11 ILE 10 1HD1 ILE 10 1.488 4.237 -4.039 80 HD12 ILE 10 2HD1 ILE 10 -0.255 3.984 -4.035 81 HD13 ILE 10 3HD1 ILE 10 0.817 2.706 -4.605 82 H ALA 11 H PRG 11 -1.277 3.891 1.569 83 HA ALA 11 HA PRG 11 -2.397 1.240 1.127 84 HB1 ALA 11 1HB PRG 11 -3.311 1.258 3.353 85 HB2 ALA 11 2HB PRG 11 -2.666 2.842 3.695 86 H PHE 12 H PHE 12 -4.426 0.984 0.796 87 HA PHE 12 HA PHE 12 -6.022 3.379 0.289 88 HB2 PHE 12 2HB PHE 12 -5.835 0.835 -1.347 89 HB3 PHE 12 1HB PHE 12 -7.089 2.046 -1.581 90 HD1 PHE 12 1HD PHE 12 -3.403 1.567 -1.644 91 HD2 PHE 12 2HD PHE 12 -6.703 3.894 -2.961 92 HE1 PHE 12 1HE PHE 12 -1.919 2.804 -3.165 93 HE2 PHE 12 2HE PHE 12 -5.229 5.141 -4.475 94 HZ PHE 12 HZ PHE 12 -2.830 4.599 -4.581 95 HA PRO 13 HA PRO 13 -8.781 1.845 3.417 96 HB2 PRO 13 2HB PRO 13 -10.866 2.983 1.616 97 HB3 PRO 13 1HB PRO 13 -10.615 3.240 3.347 98 HG2 PRO 13 2HG PRO 13 -9.895 5.103 1.612 99 HG3 PRO 13 1HG PRO 13 -8.868 4.728 3.005 100 HD2 PRO 13 2HD PRO 13 -8.515 3.992 0.138 101 HD3 PRO 13 1HD PRO 13 -7.303 4.434 1.364 102 H ASP 14 H ASP 14 -9.179 0.992 0.097 103 HA ASP 14 HA ASP 14 -11.327 -0.835 0.201 104 HB2 ASP 14 2HB ASP 14 -8.870 -0.913 -1.563 105 HB3 ASP 14 1HB ASP 14 -10.359 -1.801 -1.845 106 H1 WMH 101 1HG AZH 3 -2.485 -1.222 4.434 107 H2 WMH 101 2HG AZH 3 -2.664 -0.583 2.840 108 H5 WMH 101 HD PRG 11 0.074 3.022 3.931 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -7.866 -1.053 1.278 2 HA2 GLY 1 2HA GLY 1 -7.558 -2.556 3.144 3 HA3 GLY 1 1HA GLY 1 -8.527 -3.747 2.270 4 H ARG 2 H ARG 2 -5.921 -1.648 1.229 5 HA ARG 2 HA ARG 2 -4.299 -3.953 0.630 6 HB2 ARG 2 2HB ARG 2 -5.623 -3.644 -1.394 7 HB3 ARG 2 1HB ARG 2 -5.173 -1.951 -1.452 8 HG2 ARG 2 2HG ARG 2 -2.867 -2.533 -1.862 9 HG3 ARG 2 1HG ARG 2 -3.241 -4.248 -1.703 10 HD2 ARG 2 2HD ARG 2 -4.369 -2.373 -3.778 11 HD3 ARG 2 1HD ARG 2 -3.088 -3.552 -4.056 12 HE ARG 2 HE ARG 2 -5.057 -5.089 -3.115 13 HH11 ARG 2 1HH1 ARG 2 -5.087 -2.638 -5.655 14 HH12 ARG 2 2HH1 ARG 2 -6.307 -3.384 -6.578 15 HH21 ARG 2 1HH2 ARG 2 -6.691 -6.121 -4.356 16 HH22 ARG 2 2HH2 ARG 2 -7.275 -5.452 -5.811 17 H ALA 3 H AZH 3 -2.663 -3.402 1.801 18 HA ALA 3 HA AZH 3 -1.465 -0.766 1.421 19 HB2 ALA 3 1HB AZH 3 -0.145 -1.708 3.542 20 HB3 ALA 3 2HB AZH 3 -1.623 -2.644 3.729 21 H THR 4 H THR 4 0.492 -0.667 0.502 22 HA THR 4 HA THR 4 1.417 -3.143 -0.575 23 HB THR 4 HB THR 4 2.981 -1.624 -1.850 24 HG1 THR 4 1HG THR 4 2.700 0.515 -1.714 25 HG21 THR 4 1HG2 THR 4 1.215 -0.749 -3.317 26 HG22 THR 4 2HG2 THR 4 0.021 -1.042 -2.051 27 HG23 THR 4 3HG2 THR 4 0.856 -2.399 -2.804 28 H LYS 5 H LYS 5 3.343 -4.077 -0.162 29 HA LYS 5 HA LYS 5 4.803 -3.092 2.147 30 HB2 LYS 5 2HB LYS 5 5.155 -5.612 0.505 31 HB3 LYS 5 1HB LYS 5 6.119 -5.209 1.919 32 HG2 LYS 5 2HG LYS 5 4.076 -5.230 3.289 33 HG3 LYS 5 1HG LYS 5 3.147 -5.696 1.863 34 HD2 LYS 5 2HD LYS 5 4.474 -7.736 1.668 35 HD3 LYS 5 1HD LYS 5 5.415 -7.270 3.082 36 HE2 LYS 5 2HE LYS 5 3.716 -8.896 3.707 37 HE3 LYS 5 1HE LYS 5 3.369 -7.338 4.451 38 HZ1 LYS 5 1HZ LYS 5 2.070 -8.413 2.005 39 HZ2 LYS 5 2HZ LYS 5 1.710 -6.934 2.725 40 HZ3 LYS 5 3HZ LYS 5 1.372 -8.367 3.533 41 H SER 6 H SER 6 4.754 -2.743 -1.100 42 HA SER 6 HA SER 6 7.502 -2.373 -1.657 43 HB2 SER 6 2HB SER 6 5.047 -1.272 -3.039 44 HB3 SER 6 1HB SER 6 6.674 -1.386 -3.725 45 HG SER 6 HG SER 6 6.475 -3.673 -3.202 46 H ILE 7 H ILE 7 8.604 -0.430 -1.728 47 HA ILE 7 HA ILE 7 7.616 1.579 0.109 48 HB ILE 7 HB ILE 7 10.351 1.137 -1.145 49 HG12 ILE 7 2HG1 ILE 7 9.366 0.601 1.668 50 HG13 ILE 7 1HG1 ILE 7 9.633 -0.623 0.436 51 HG21 ILE 7 1HG2 ILE 7 9.998 3.497 -0.596 52 HG22 ILE 7 2HG2 ILE 7 11.197 2.762 0.468 53 HG23 ILE 7 3HG2 ILE 7 9.560 3.050 1.054 54 HD11 ILE 7 1HD1 ILE 7 11.736 1.148 1.659 55 HD12 ILE 7 2HD1 ILE 7 12.012 -0.084 0.427 56 HD13 ILE 7 3HD1 ILE 7 11.457 -0.552 2.034 57 HA PRO 8 HA PRO 8 7.475 3.589 0.594 58 HB2 PRO 8 2HB PRO 8 5.499 5.582 -0.125 59 HB3 PRO 8 1HB PRO 8 7.094 5.847 0.577 60 HG2 PRO 8 2HG PRO 8 6.436 6.607 -1.958 61 HG3 PRO 8 1HG PRO 8 8.085 6.169 -1.475 62 HD2 PRO 8 2HD PRO 8 6.010 4.508 -2.865 63 HD3 PRO 8 1HD PRO 8 7.737 4.682 -3.245 64 HA PRO 9 HA PRO 9 3.806 1.082 0.990 65 HB2 PRO 9 2HB PRO 9 3.100 1.779 3.569 66 HB3 PRO 9 1HB PRO 9 4.329 0.575 3.166 67 HG2 PRO 9 2HG PRO 9 4.666 3.442 3.937 68 HG3 PRO 9 1HG PRO 9 5.631 2.032 4.407 69 HD2 PRO 9 2HD PRO 9 6.473 3.758 2.528 70 HD3 PRO 9 1HD PRO 9 6.816 2.019 2.418 71 H ILE 10 H ILE 10 2.088 1.671 -0.093 72 HA ILE 10 HA ILE 10 0.711 4.179 0.548 73 HB ILE 10 HB ILE 10 0.566 2.448 -1.959 74 HG12 ILE 10 2HG1 ILE 10 1.828 5.173 -1.559 75 HG13 ILE 10 1HG1 ILE 10 2.706 3.662 -1.745 76 HG21 ILE 10 1HG2 ILE 10 -0.770 4.258 -2.929 77 HG22 ILE 10 2HG2 ILE 10 -0.700 5.138 -1.405 78 HG23 ILE 10 3HG2 ILE 10 -1.555 3.596 -1.493 79 HD11 ILE 10 1HD1 ILE 10 1.812 3.432 -4.011 80 HD12 ILE 10 2HD1 ILE 10 2.710 4.934 -3.805 81 HD13 ILE 10 3HD1 ILE 10 0.944 4.956 -3.817 82 H ALA 11 H PRG 11 -1.388 4.001 1.273 83 HA ALA 11 HA PRG 11 -2.343 1.273 1.366 84 HB1 ALA 11 1HB PRG 11 -3.348 1.617 3.548 85 HB2 ALA 11 2HB PRG 11 -2.758 3.251 3.646 86 H PHE 12 H PHE 12 -4.183 0.849 0.772 87 HA PHE 12 HA PHE 12 -5.822 3.024 -0.309 88 HB2 PHE 12 2HB PHE 12 -5.726 0.092 -1.074 89 HB3 PHE 12 1HB PHE 12 -6.752 1.304 -1.820 90 HD1 PHE 12 1HD PHE 12 -3.339 0.003 -1.533 91 HD2 PHE 12 2HD PHE 12 -5.834 2.896 -3.392 92 HE1 PHE 12 1HE PHE 12 -1.577 0.440 -3.196 93 HE2 PHE 12 2HE PHE 12 -4.074 3.347 -5.059 94 HZ PHE 12 HZ PHE 12 -1.945 2.118 -4.961 95 HA PRO 13 HA PRO 13 -8.838 2.030 2.934 96 HB2 PRO 13 2HB PRO 13 -10.706 3.071 0.857 97 HB3 PRO 13 1HB PRO 13 -10.568 3.530 2.557 98 HG2 PRO 13 2HG PRO 13 -9.624 5.145 0.685 99 HG3 PRO 13 1HG PRO 13 -8.703 4.877 2.177 100 HD2 PRO 13 2HD PRO 13 -8.240 3.760 -0.559 101 HD3 PRO 13 1HD PRO 13 -7.068 4.325 0.652 102 H ASP 14 H ASP 14 -8.782 0.886 -0.236 103 HA ASP 14 HA ASP 14 -10.881 -0.953 -0.463 104 HB2 ASP 14 2HB ASP 14 -9.388 -0.406 -2.319 105 HB3 ASP 14 1HB ASP 14 -8.026 -1.116 -1.468 106 H1 WMH 101 1HG AZH 3 -2.426 -0.724 4.852 107 H2 WMH 101 2HG AZH 3 -2.586 -0.216 3.217 108 H5 WMH 101 HD PRG 11 -0.079 3.581 4.033 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -8.001 -0.932 1.577 2 HA2 GLY 1 2HA GLY 1 -7.582 -2.217 3.620 3 HA3 GLY 1 1HA GLY 1 -8.450 -3.549 2.872 4 H ARG 2 H ARG 2 -6.623 -1.993 0.595 5 HA ARG 2 HA ARG 2 -4.625 -4.123 0.680 6 HB2 ARG 2 2HB ARG 2 -5.885 -3.962 -1.398 7 HB3 ARG 2 1HB ARG 2 -5.477 -2.264 -1.553 8 HG2 ARG 2 2HG ARG 2 -3.145 -2.822 -1.914 9 HG3 ARG 2 1HG ARG 2 -3.492 -4.530 -1.661 10 HD2 ARG 2 2HD ARG 2 -3.300 -3.980 -4.047 11 HD3 ARG 2 1HD ARG 2 -4.911 -4.557 -3.639 12 HE ARG 2 HE ARG 2 -5.240 -1.914 -3.468 13 HH11 ARG 2 1HH1 ARG 2 -3.815 -3.884 -6.051 14 HH12 ARG 2 2HH1 ARG 2 -4.185 -2.760 -7.274 15 HH21 ARG 2 1HH2 ARG 2 -5.778 -0.427 -5.156 16 HH22 ARG 2 2HH2 ARG 2 -5.328 -0.768 -6.759 17 H ALA 3 H AZH 3 -2.629 -3.686 1.306 18 HA ALA 3 HA AZH 3 -1.600 -0.950 1.084 19 HB2 ALA 3 1HB AZH 3 -0.133 -1.907 3.112 20 HB3 ALA 3 2HB AZH 3 -1.586 -2.861 3.363 21 H THR 4 H THR 4 0.342 -0.732 0.095 22 HA THR 4 HA THR 4 1.353 -3.096 -1.130 23 HB THR 4 HB THR 4 2.935 -1.563 -2.302 24 HG1 THR 4 1HG THR 4 3.119 0.452 -1.773 25 HG21 THR 4 1HG2 THR 4 1.243 -0.351 -3.603 26 HG22 THR 4 2HG2 THR 4 0.060 -0.656 -2.331 27 HG23 THR 4 3HG2 THR 4 0.726 -2.001 -3.256 28 H LYS 5 H LYS 5 3.222 -4.127 -0.718 29 HA LYS 5 HA LYS 5 4.457 -3.633 1.852 30 HB2 LYS 5 2HB LYS 5 5.664 -5.741 1.409 31 HB3 LYS 5 1HB LYS 5 3.925 -5.920 1.227 32 HG2 LYS 5 2HG LYS 5 4.198 -5.731 -1.224 33 HG3 LYS 5 1HG LYS 5 5.940 -5.634 -0.986 34 HD2 LYS 5 2HD LYS 5 5.957 -7.846 0.002 35 HD3 LYS 5 1HD LYS 5 4.200 -7.940 -0.130 36 HE2 LYS 5 2HE LYS 5 5.239 -9.169 -1.942 37 HE3 LYS 5 1HE LYS 5 4.381 -7.768 -2.567 38 HZ1 LYS 5 1HZ LYS 5 6.538 -6.606 -2.660 39 HZ2 LYS 5 2HZ LYS 5 6.461 -7.943 -3.650 40 HZ3 LYS 5 3HZ LYS 5 7.317 -8.035 -2.200 41 H SER 6 H SER 6 4.898 -2.263 -1.023 42 HA SER 6 HA SER 6 7.760 -2.297 -1.131 43 HB2 SER 6 2HB SER 6 7.109 -0.594 -3.026 44 HB3 SER 6 1HB SER 6 6.851 -2.324 -3.253 45 HG SER 6 HG SER 6 5.066 -0.311 -3.177 46 H ILE 7 H ILE 7 8.752 -0.014 -1.467 47 HA ILE 7 HA ILE 7 7.590 1.842 0.483 48 HB ILE 7 HB ILE 7 10.553 1.296 0.010 49 HG12 ILE 7 2HG1 ILE 7 8.820 0.773 2.439 50 HG13 ILE 7 1HG1 ILE 7 9.456 -0.449 1.349 51 HG21 ILE 7 1HG2 ILE 7 10.989 2.896 1.817 52 HG22 ILE 7 2HG2 ILE 7 9.266 3.243 1.930 53 HG23 ILE 7 3HG2 ILE 7 10.156 3.665 0.464 54 HD11 ILE 7 1HD1 ILE 7 10.734 -0.360 3.409 55 HD12 ILE 7 2HD1 ILE 7 11.074 1.349 3.147 56 HD13 ILE 7 3HD1 ILE 7 11.736 0.142 2.047 57 HA PRO 8 HA PRO 8 7.400 3.926 0.938 58 HB2 PRO 8 2HB PRO 8 5.586 5.789 0.204 59 HB3 PRO 8 1HB PRO 8 7.301 6.169 0.390 60 HG2 PRO 8 2HG PRO 8 5.739 5.630 -2.103 61 HG3 PRO 8 1HG PRO 8 6.981 6.857 -1.807 62 HD2 PRO 8 2HD PRO 8 7.462 4.507 -3.119 63 HD3 PRO 8 1HD PRO 8 8.698 5.384 -2.200 64 HA PRO 9 HA PRO 9 3.894 1.195 0.556 65 HB2 PRO 9 2HB PRO 9 2.898 1.498 3.081 66 HB3 PRO 9 1HB PRO 9 4.302 0.495 2.711 67 HG2 PRO 9 2HG PRO 9 4.188 3.268 3.808 68 HG3 PRO 9 1HG PRO 9 5.260 1.932 4.258 69 HD2 PRO 9 2HD PRO 9 6.043 3.971 2.650 70 HD3 PRO 9 1HD PRO 9 6.691 2.326 2.500 71 H ILE 10 H ILE 10 2.055 1.607 -0.390 72 HA ILE 10 HA ILE 10 0.626 4.101 0.182 73 HB ILE 10 HB ILE 10 0.535 2.308 -2.273 74 HG12 ILE 10 2HG1 ILE 10 2.643 3.536 -2.184 75 HG13 ILE 10 1HG1 ILE 10 1.626 4.164 -3.474 76 HG21 ILE 10 1HG2 ILE 10 -1.614 3.378 -1.888 77 HG22 ILE 10 2HG2 ILE 10 -0.831 4.061 -3.314 78 HG23 ILE 10 3HG2 ILE 10 -0.828 4.956 -1.796 79 HD11 ILE 10 1HD1 ILE 10 2.760 5.960 -2.302 80 HD12 ILE 10 2HD1 ILE 10 2.070 5.428 -0.771 81 HD13 ILE 10 3HD1 ILE 10 1.019 6.065 -2.037 82 H ALA 11 H PRG 11 -1.293 3.832 1.170 83 HA ALA 11 HA PRG 11 -2.326 1.117 1.142 84 HB1 ALA 11 1HB PRG 11 -3.282 1.411 3.343 85 HB2 ALA 11 2HB PRG 11 -2.680 3.033 3.475 86 H PHE 12 H PHE 12 -4.160 0.729 0.555 87 HA PHE 12 HA PHE 12 -5.792 2.899 -0.518 88 HB2 PHE 12 2HB PHE 12 -5.851 -0.072 -1.087 89 HB3 PHE 12 1HB PHE 12 -6.805 1.154 -1.907 90 HD1 PHE 12 1HD PHE 12 -5.715 2.735 -3.433 91 HD2 PHE 12 2HD PHE 12 -3.565 -0.471 -1.663 92 HE1 PHE 12 1HE PHE 12 -3.951 2.997 -5.110 93 HE2 PHE 12 2HE PHE 12 -1.787 -0.216 -3.347 94 HZ PHE 12 HZ PHE 12 -1.982 1.525 -5.077 95 HA PRO 13 HA PRO 13 -8.621 2.275 2.871 96 HB2 PRO 13 2HB PRO 13 -10.898 3.238 1.628 97 HB3 PRO 13 1HB PRO 13 -9.679 4.238 2.422 98 HG2 PRO 13 2HG PRO 13 -10.025 3.615 -0.473 99 HG3 PRO 13 1HG PRO 13 -9.558 5.140 0.298 100 HD2 PRO 13 2HD PRO 13 -7.754 3.555 -0.898 101 HD3 PRO 13 1HD PRO 13 -7.355 4.477 0.567 102 H ASP 14 H ASP 14 -8.858 0.648 -0.086 103 HA ASP 14 HA ASP 14 -11.208 -0.922 0.415 104 HB2 ASP 14 2HB ASP 14 -8.803 -1.595 -1.307 105 HB3 ASP 14 1HB ASP 14 -10.301 -2.506 -1.276 106 H1 WMH 101 1HG AZH 3 -2.378 -0.989 4.572 107 H2 WMH 101 2HG AZH 3 -2.580 -0.405 2.971 108 H5 WMH 101 HD PRG 11 0.001 3.346 3.792 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -8.108 -1.036 1.169 2 HA2 GLY 1 2HA GLY 1 -7.494 -2.573 2.910 3 HA3 GLY 1 1HA GLY 1 -8.420 -3.817 2.059 4 H ARG 2 H ARG 2 -5.904 -1.478 1.271 5 HA ARG 2 HA ARG 2 -4.309 -3.636 0.137 6 HB2 ARG 2 2HB ARG 2 -5.704 -2.729 -1.693 7 HB3 ARG 2 1HB ARG 2 -5.049 -1.132 -1.385 8 HG2 ARG 2 2HG ARG 2 -3.908 -2.015 -3.272 9 HG3 ARG 2 1HG ARG 2 -2.781 -2.056 -1.916 10 HD2 ARG 2 2HD ARG 2 -2.654 -4.118 -3.180 11 HD3 ARG 2 1HD ARG 2 -3.304 -4.430 -1.568 12 HE ARG 2 HE ARG 2 -5.294 -3.950 -3.576 13 HH11 ARG 2 1HH1 ARG 2 -3.323 -6.478 -2.054 14 HH12 ARG 2 2HH1 ARG 2 -4.383 -7.751 -2.455 15 HH21 ARG 2 1HH2 ARG 2 -6.721 -5.692 -4.151 16 HH22 ARG 2 2HH2 ARG 2 -6.392 -7.289 -3.682 17 H ALA 3 H AZH 3 -2.394 -3.394 1.007 18 HA ALA 3 HA AZH 3 -1.243 -0.741 1.298 19 HB2 ALA 3 1HB AZH 3 -0.163 -1.918 3.434 20 HB3 ALA 3 2HB AZH 3 -1.653 -2.852 3.373 21 H THR 4 H THR 4 0.837 -0.639 0.606 22 HA THR 4 HA THR 4 1.745 -2.965 -0.788 23 HB THR 4 HB THR 4 3.484 -1.332 -1.663 24 HG1 THR 4 1HG THR 4 3.458 0.655 -0.981 25 HG21 THR 4 1HG2 THR 4 1.860 -0.198 -3.128 26 HG22 THR 4 2HG2 THR 4 0.563 -0.635 -2.018 27 HG23 THR 4 3HG2 THR 4 1.433 -1.893 -2.894 28 H LYS 5 H LYS 5 3.623 -4.050 -0.458 29 HA LYS 5 HA LYS 5 4.835 -3.671 2.165 30 HB2 LYS 5 2HB LYS 5 5.730 -5.960 1.862 31 HB3 LYS 5 1HB LYS 5 3.982 -5.905 1.761 32 HG2 LYS 5 2HG LYS 5 4.138 -6.022 -0.698 33 HG3 LYS 5 1HG LYS 5 5.894 -6.139 -0.563 34 HD2 LYS 5 2HD LYS 5 5.649 -8.210 0.738 35 HD3 LYS 5 1HD LYS 5 3.896 -8.082 0.613 36 HE2 LYS 5 2HE LYS 5 4.727 -9.680 -1.009 37 HE3 LYS 5 1HE LYS 5 4.087 -8.264 -1.837 38 HZ1 LYS 5 1HZ LYS 5 6.183 -9.008 -2.786 39 HZ2 LYS 5 2HZ LYS 5 6.970 -8.787 -1.319 40 HZ3 LYS 5 3HZ LYS 5 6.347 -7.465 -2.138 41 H SER 6 H SER 6 5.296 -2.484 -0.681 42 HA SER 6 HA SER 6 8.217 -2.536 -0.533 43 HB2 SER 6 2HB SER 6 6.405 -2.046 -2.899 44 HB3 SER 6 1HB SER 6 8.171 -1.996 -2.947 45 HG SER 6 HG SER 6 7.899 -4.212 -2.027 46 H ILE 7 H ILE 7 9.064 -0.366 -1.513 47 HA ILE 7 HA ILE 7 7.711 1.748 -0.054 48 HB ILE 7 HB ILE 7 10.462 1.641 -1.352 49 HG12 ILE 7 2HG1 ILE 7 9.642 1.567 1.560 50 HG13 ILE 7 1HG1 ILE 7 10.223 0.197 0.624 51 HG21 ILE 7 1HG2 ILE 7 9.593 3.943 -1.329 52 HG22 ILE 7 2HG2 ILE 7 10.958 3.737 -0.233 53 HG23 ILE 7 3HG2 ILE 7 9.321 3.814 0.413 54 HD11 ILE 7 1HD1 ILE 7 11.803 2.672 1.301 55 HD12 ILE 7 2HD1 ILE 7 12.400 1.278 0.398 56 HD13 ILE 7 3HD1 ILE 7 11.945 1.105 2.092 57 HA PRO 8 HA PRO 8 7.255 3.743 0.030 58 HB2 PRO 8 2HB PRO 8 5.058 5.351 -0.849 59 HB3 PRO 8 1HB PRO 8 6.692 5.871 -0.434 60 HG2 PRO 8 2HG PRO 8 5.626 5.993 -2.973 61 HG3 PRO 8 1HG PRO 8 7.359 5.912 -2.620 62 HD2 PRO 8 2HD PRO 8 5.483 3.713 -3.404 63 HD3 PRO 8 1HD PRO 8 7.140 4.030 -3.964 64 HA PRO 9 HA PRO 9 3.725 1.281 1.144 65 HB2 PRO 9 2HB PRO 9 3.376 2.102 3.699 66 HB3 PRO 9 1HB PRO 9 4.728 1.066 3.230 67 HG2 PRO 9 2HG PRO 9 4.673 4.010 3.708 68 HG3 PRO 9 1HG PRO 9 5.909 2.832 4.175 69 HD2 PRO 9 2HD PRO 9 6.112 4.482 1.994 70 HD3 PRO 9 1HD PRO 9 6.918 2.908 2.102 71 H ILE 10 H ILE 10 1.961 1.923 0.089 72 HA ILE 10 HA ILE 10 0.584 4.300 1.082 73 HB ILE 10 HB ILE 10 1.387 4.718 -1.211 74 HG12 ILE 10 2HG1 ILE 10 -1.607 4.253 -1.176 75 HG13 ILE 10 1HG1 ILE 10 -0.793 5.670 -0.530 76 HG21 ILE 10 1HG2 ILE 10 0.603 3.395 -3.123 77 HG22 ILE 10 2HG2 ILE 10 -0.168 2.267 -2.007 78 HG23 ILE 10 3HG2 ILE 10 1.585 2.443 -2.004 79 HD11 ILE 10 1HD1 ILE 10 -1.770 6.127 -2.700 80 HD12 ILE 10 2HD1 ILE 10 -0.842 4.809 -3.412 81 HD13 ILE 10 3HD1 ILE 10 -0.011 6.231 -2.782 82 H ALA 11 H PRG 11 -1.578 4.049 1.545 83 HA ALA 11 HA PRG 11 -2.477 1.294 1.279 84 HB1 ALA 11 1HB PRG 11 -3.470 1.337 3.445 85 HB2 ALA 11 2HB PRG 11 -2.973 2.980 3.751 86 H PHE 12 H PHE 12 -4.465 0.943 0.879 87 HA PHE 12 HA PHE 12 -6.090 3.261 0.071 88 HB2 PHE 12 2HB PHE 12 -6.054 0.523 -1.226 89 HB3 PHE 12 1HB PHE 12 -6.981 1.910 -1.751 90 HD1 PHE 12 1HD PHE 12 -5.932 3.743 -2.951 91 HD2 PHE 12 2HD PHE 12 -3.645 0.395 -1.653 92 HE1 PHE 12 1HE PHE 12 -4.105 4.406 -4.447 93 HE2 PHE 12 2HE PHE 12 -1.815 1.060 -3.152 94 HZ PHE 12 HZ PHE 12 -2.047 3.068 -4.553 95 HA PRO 13 HA PRO 13 -9.017 1.862 3.131 96 HB2 PRO 13 2HB PRO 13 -11.296 2.799 1.775 97 HB3 PRO 13 1HB PRO 13 -10.335 3.683 2.962 98 HG2 PRO 13 2HG PRO 13 -10.252 3.807 -0.006 99 HG3 PRO 13 1HG PRO 13 -9.977 5.084 1.185 100 HD2 PRO 13 2HD PRO 13 -7.971 3.947 -0.162 101 HD3 PRO 13 1HD PRO 13 -7.777 4.468 1.526 102 H ASP 14 H ASP 14 -9.259 0.901 -0.179 103 HA ASP 14 HA ASP 14 -11.302 -1.040 -0.104 104 HB2 ASP 14 2HB ASP 14 -10.307 -0.385 -2.215 105 HB3 ASP 14 1HB ASP 14 -8.726 -0.942 -1.693 106 H1 WMH 101 1HG AZH 3 -2.499 -1.035 4.672 107 H2 WMH 101 2HG AZH 3 -2.643 -0.442 3.070 108 H5 WMH 101 HD PRG 11 -0.277 3.407 4.104 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -8.139 -1.057 1.270 2 HA2 GLY 1 2HA GLY 1 -7.323 -2.919 2.553 3 HA3 GLY 1 1HA GLY 1 -8.397 -3.963 1.617 4 H ARG 2 H ARG 2 -5.829 -1.607 1.065 5 HA ARG 2 HA ARG 2 -4.484 -3.475 -0.667 6 HB2 ARG 2 2HB ARG 2 -6.132 -2.246 -2.125 7 HB3 ARG 2 1HB ARG 2 -5.337 -0.756 -1.665 8 HG2 ARG 2 2HG ARG 2 -3.296 -1.445 -2.736 9 HG3 ARG 2 1HG ARG 2 -3.999 -3.022 -3.111 10 HD2 ARG 2 2HD ARG 2 -5.005 -0.361 -4.121 11 HD3 ARG 2 1HD ARG 2 -4.053 -1.516 -5.053 12 HE ARG 2 HE ARG 2 -6.241 -2.921 -4.163 13 HH11 ARG 2 1HH1 ARG 2 -5.785 -0.017 -6.166 14 HH12 ARG 2 2HH1 ARG 2 -7.167 -0.293 -7.114 15 HH21 ARG 2 1HH2 ARG 2 -8.174 -3.262 -5.478 16 HH22 ARG 2 2HH2 ARG 2 -8.575 -2.148 -6.688 17 H ALA 3 H AZH 3 -2.742 -3.441 0.575 18 HA ALA 3 HA AZH 3 -1.354 -0.882 0.964 19 HB2 ALA 3 1HB AZH 3 -0.315 -2.335 2.960 20 HB3 ALA 3 2HB AZH 3 -1.909 -3.071 2.886 21 H THR 4 H THR 4 0.649 -0.773 0.220 22 HA THR 4 HA THR 4 1.832 -3.209 -0.771 23 HB THR 4 HB THR 4 3.475 -1.596 -1.831 24 HG1 THR 4 1HG THR 4 3.151 0.490 -1.713 25 HG21 THR 4 1HG2 THR 4 0.557 -1.167 -2.500 26 HG22 THR 4 2HG2 THR 4 1.573 -2.475 -3.106 27 HG23 THR 4 3HG2 THR 4 1.915 -0.807 -3.565 28 H LYS 5 H LYS 5 3.741 -3.983 0.034 29 HA LYS 5 HA LYS 5 4.566 -2.828 2.591 30 HB2 LYS 5 2HB LYS 5 4.887 -5.613 1.484 31 HB3 LYS 5 1HB LYS 5 5.593 -5.088 3.004 32 HG2 LYS 5 2HG LYS 5 3.335 -4.587 3.862 33 HG3 LYS 5 1HG LYS 5 2.652 -5.172 2.347 34 HD2 LYS 5 2HD LYS 5 4.338 -6.834 4.227 35 HD3 LYS 5 1HD LYS 5 2.578 -6.837 4.207 36 HE2 LYS 5 2HE LYS 5 4.356 -7.622 1.885 37 HE3 LYS 5 1HE LYS 5 3.551 -8.737 2.982 38 HZ1 LYS 5 1HZ LYS 5 2.324 -8.437 0.906 39 HZ2 LYS 5 2HZ LYS 5 2.161 -6.801 1.207 40 HZ3 LYS 5 3HZ LYS 5 1.413 -7.907 2.219 41 H SER 6 H SER 6 5.401 -2.245 -0.267 42 HA SER 6 HA SER 6 8.289 -2.291 0.223 43 HB2 SER 6 2HB SER 6 6.818 -2.280 -2.433 44 HB3 SER 6 1HB SER 6 8.569 -2.324 -2.213 45 HG SER 6 HG SER 6 8.389 -4.331 -1.278 46 H ILE 7 H ILE 7 9.358 -0.284 -0.496 47 HA ILE 7 HA ILE 7 7.724 1.989 0.126 48 HB ILE 7 HB ILE 7 10.652 1.842 -0.692 49 HG12 ILE 7 2HG1 ILE 7 9.429 2.061 2.065 50 HG13 ILE 7 1HG1 ILE 7 10.127 0.599 1.382 51 HG21 ILE 7 1HG2 ILE 7 9.144 4.111 0.619 52 HG22 ILE 7 2HG2 ILE 7 9.708 4.081 -1.049 53 HG23 ILE 7 3HG2 ILE 7 10.874 4.081 0.275 54 HD11 ILE 7 1HD1 ILE 7 11.588 3.162 1.958 55 HD12 ILE 7 2HD1 ILE 7 12.300 1.711 1.259 56 HD13 ILE 7 3HD1 ILE 7 11.669 1.679 2.908 57 HA PRO 8 HA PRO 8 7.209 3.967 -0.215 58 HB2 PRO 8 2HB PRO 8 5.089 5.145 -1.795 59 HB3 PRO 8 1HB PRO 8 6.517 5.935 -1.124 60 HG2 PRO 8 2HG PRO 8 6.134 5.584 -3.802 61 HG3 PRO 8 1HG PRO 8 7.736 5.653 -3.052 62 HD2 PRO 8 2HD PRO 8 6.127 3.248 -3.850 63 HD3 PRO 8 1HD PRO 8 7.851 3.585 -4.136 64 HA PRO 9 HA PRO 9 3.824 1.132 0.442 65 HB2 PRO 9 2HB PRO 9 3.459 1.732 3.124 66 HB3 PRO 9 1HB PRO 9 4.592 0.534 2.501 67 HG2 PRO 9 2HG PRO 9 5.147 3.094 3.723 68 HG3 PRO 9 1HG PRO 9 6.280 1.815 3.276 69 HD2 PRO 9 2HD PRO 9 5.708 4.311 1.920 70 HD3 PRO 9 1HD PRO 9 6.975 3.120 1.578 71 H ILE 10 H ILE 10 2.002 1.745 -0.427 72 HA ILE 10 HA ILE 10 0.662 4.095 0.674 73 HB ILE 10 HB ILE 10 1.314 4.423 -1.684 74 HG12 ILE 10 2HG1 ILE 10 -0.919 4.981 -2.650 75 HG13 ILE 10 1HG1 ILE 10 -1.671 4.100 -1.328 76 HG21 ILE 10 1HG2 ILE 10 1.388 2.156 -2.472 77 HG22 ILE 10 2HG2 ILE 10 0.315 3.105 -3.502 78 HG23 ILE 10 3HG2 ILE 10 -0.361 2.004 -2.302 79 HD11 ILE 10 1HD1 ILE 10 -1.700 6.502 -0.949 80 HD12 ILE 10 2HD1 ILE 10 0.059 6.549 -1.049 81 HD13 ILE 10 3HD1 ILE 10 -0.728 5.681 0.269 82 H ALA 11 H PRG 11 -1.457 3.860 1.337 83 HA ALA 11 HA PRG 11 -2.499 1.158 1.126 84 HB1 ALA 11 1HB PRG 11 -3.280 1.212 3.422 85 HB2 ALA 11 2HB PRG 11 -2.606 2.790 3.700 86 H PHE 12 H PHE 12 -4.603 0.941 0.999 87 HA PHE 12 HA PHE 12 -6.204 3.368 0.673 88 HB2 PHE 12 2HB PHE 12 -6.228 0.926 -1.113 89 HB3 PHE 12 1HB PHE 12 -7.380 2.244 -1.211 90 HD1 PHE 12 1HD PHE 12 -4.008 1.140 -1.986 91 HD2 PHE 12 2HD PHE 12 -6.670 4.460 -2.000 92 HE1 PHE 12 1HE PHE 12 -2.505 2.337 -3.505 93 HE2 PHE 12 2HE PHE 12 -5.169 5.664 -3.520 94 HZ PHE 12 HZ PHE 12 -3.080 4.604 -4.279 95 HA PRO 13 HA PRO 13 -8.923 1.671 3.794 96 HB2 PRO 13 2HB PRO 13 -10.937 2.867 1.937 97 HB3 PRO 13 1HB PRO 13 -10.811 3.000 3.694 98 HG2 PRO 13 2HG PRO 13 -10.007 4.990 2.150 99 HG3 PRO 13 1HG PRO 13 -9.082 4.537 3.591 100 HD2 PRO 13 2HD PRO 13 -8.453 4.076 0.721 101 HD3 PRO 13 1HD PRO 13 -7.369 4.315 2.105 102 H ASP 14 H ASP 14 -9.402 1.047 0.400 103 HA ASP 14 HA ASP 14 -11.481 -0.860 0.464 104 HB2 ASP 14 2HB ASP 14 -9.159 -0.647 -1.463 105 HB3 ASP 14 1HB ASP 14 -10.596 -1.625 -1.713 106 H1 WMH 101 1HG AZH 3 -2.367 -1.308 4.406 107 H2 WMH 101 2HG AZH 3 -2.676 -0.598 2.858 108 H5 WMH 101 HD PRG 11 0.148 2.966 3.835 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -8.116 -1.052 1.124 2 HA2 GLY 1 2HA GLY 1 -7.508 -2.931 2.535 3 HA3 GLY 1 1HA GLY 1 -8.459 -3.957 1.464 4 H ARG 2 H ARG 2 -6.024 -1.448 0.930 5 HA ARG 2 HA ARG 2 -4.403 -3.404 -0.502 6 HB2 ARG 2 2HB ARG 2 -5.230 -0.717 -1.619 7 HB3 ARG 2 1HB ARG 2 -3.981 -1.738 -2.305 8 HG2 ARG 2 2HG ARG 2 -5.643 -3.462 -2.775 9 HG3 ARG 2 1HG ARG 2 -6.894 -2.450 -2.054 10 HD2 ARG 2 2HD ARG 2 -6.531 -0.747 -3.734 11 HD3 ARG 2 1HD ARG 2 -5.207 -1.679 -4.427 12 HE ARG 2 HE ARG 2 -7.294 -3.380 -4.494 13 HH11 ARG 2 1HH1 ARG 2 -6.885 -0.093 -5.720 14 HH12 ARG 2 2HH1 ARG 2 -7.827 -0.323 -7.105 15 HH21 ARG 2 1HH2 ARG 2 -8.630 -3.711 -6.398 16 HH22 ARG 2 2HH2 ARG 2 -8.846 -2.428 -7.493 17 H ALA 3 H AZH 3 -2.633 -3.370 0.668 18 HA ALA 3 HA AZH 3 -1.304 -0.821 1.122 19 HB2 ALA 3 1HB AZH 3 -0.404 -2.179 3.260 20 HB3 ALA 3 2HB AZH 3 -2.008 -2.891 3.137 21 H THR 4 H THR 4 0.770 -0.815 0.534 22 HA THR 4 HA THR 4 1.779 -3.332 -0.457 23 HB THR 4 HB THR 4 3.419 -1.789 -1.672 24 HG1 THR 4 1HG THR 4 2.830 0.321 -1.845 25 HG21 THR 4 1HG2 THR 4 1.777 -1.199 -3.396 26 HG22 THR 4 2HG2 THR 4 0.468 -1.504 -2.255 27 HG23 THR 4 3HG2 THR 4 1.501 -2.831 -2.788 28 H LYS 5 H LYS 5 3.779 -4.080 0.108 29 HA LYS 5 HA LYS 5 4.847 -2.994 2.605 30 HB2 LYS 5 2HB LYS 5 5.252 -5.656 1.248 31 HB3 LYS 5 1HB LYS 5 6.102 -5.167 2.705 32 HG2 LYS 5 2HG LYS 5 3.121 -5.466 2.421 33 HG3 LYS 5 1HG LYS 5 4.207 -6.637 3.172 34 HD2 LYS 5 2HD LYS 5 4.864 -4.888 4.820 35 HD3 LYS 5 1HD LYS 5 3.666 -3.812 4.098 36 HE2 LYS 5 2HE LYS 5 2.736 -4.846 6.072 37 HE3 LYS 5 1HE LYS 5 1.911 -5.449 4.636 38 HZ1 LYS 5 1HZ LYS 5 4.061 -6.862 6.111 39 HZ2 LYS 5 2HZ LYS 5 3.279 -7.445 4.741 40 HZ3 LYS 5 3HZ LYS 5 2.413 -7.218 6.177 41 H SER 6 H SER 6 5.306 -2.636 -0.535 42 HA SER 6 HA SER 6 8.191 -2.562 -0.559 43 HB2 SER 6 2HB SER 6 6.189 -1.561 -2.600 44 HB3 SER 6 1HB SER 6 7.904 -1.883 -2.869 45 HG SER 6 HG SER 6 6.757 -4.041 -1.804 46 H ILE 7 H ILE 7 9.077 -0.323 -1.460 47 HA ILE 7 HA ILE 7 7.821 1.764 0.139 48 HB ILE 7 HB ILE 7 10.715 1.568 -0.793 49 HG12 ILE 7 2HG1 ILE 7 9.538 1.227 1.973 50 HG13 ILE 7 1HG1 ILE 7 10.086 -0.090 0.946 51 HG21 ILE 7 1HG2 ILE 7 9.387 3.553 1.067 52 HG22 ILE 7 2HG2 ILE 7 9.953 3.894 -0.565 53 HG23 ILE 7 3HG2 ILE 7 11.111 3.484 0.703 54 HD11 ILE 7 1HD1 ILE 7 12.359 0.793 1.042 55 HD12 ILE 7 2HD1 ILE 7 11.721 0.455 2.651 56 HD13 ILE 7 3HD1 ILE 7 11.798 2.116 2.063 57 HA PRO 8 HA PRO 8 7.336 3.659 0.262 58 HB2 PRO 8 2HB PRO 8 5.355 5.382 -0.881 59 HB3 PRO 8 1HB PRO 8 6.875 5.847 -0.117 60 HG2 PRO 8 2HG PRO 8 6.332 6.192 -2.786 61 HG3 PRO 8 1HG PRO 8 7.965 6.026 -2.123 62 HD2 PRO 8 2HD PRO 8 6.231 3.939 -3.409 63 HD3 PRO 8 1HD PRO 8 7.965 4.256 -3.648 64 HA PRO 9 HA PRO 9 3.667 1.097 0.511 65 HB2 PRO 9 2HB PRO 9 2.831 1.890 2.991 66 HB3 PRO 9 1HB PRO 9 4.154 0.747 2.744 67 HG2 PRO 9 2HG PRO 9 4.269 3.682 3.310 68 HG3 PRO 9 1HG PRO 9 5.259 2.374 3.982 69 HD2 PRO 9 2HD PRO 9 6.153 3.973 2.014 70 HD3 PRO 9 1HD PRO 9 6.606 2.261 2.112 71 H ILE 10 H ILE 10 1.733 1.499 -0.314 72 HA ILE 10 HA ILE 10 0.495 4.145 0.107 73 HB ILE 10 HB ILE 10 0.162 2.377 -2.349 74 HG12 ILE 10 2HG1 ILE 10 1.813 4.898 -2.103 75 HG13 ILE 10 1HG1 ILE 10 2.486 3.273 -2.159 76 HG21 ILE 10 1HG2 ILE 10 -0.858 4.389 -3.324 77 HG22 ILE 10 2HG2 ILE 10 -0.604 5.252 -1.808 78 HG23 ILE 10 3HG2 ILE 10 -1.712 3.879 -1.867 79 HD11 ILE 10 1HD1 ILE 10 0.893 4.612 -4.330 80 HD12 ILE 10 2HD1 ILE 10 1.552 2.978 -4.398 81 HD13 ILE 10 3HD1 ILE 10 2.640 4.365 -4.312 82 H ALA 11 H PRG 11 -1.355 3.892 1.286 83 HA ALA 11 HA PRG 11 -2.574 1.248 1.143 84 HB1 ALA 11 1HB PRG 11 -3.331 1.449 3.413 85 HB2 ALA 11 2HB PRG 11 -2.633 3.030 3.598 86 H PHE 12 H PHE 12 -4.568 1.012 0.881 87 HA PHE 12 HA PHE 12 -6.297 3.382 0.613 88 HB2 PHE 12 2HB PHE 12 -6.365 0.863 -1.076 89 HB3 PHE 12 1HB PHE 12 -7.496 2.193 -1.185 90 HD1 PHE 12 1HD PHE 12 -6.911 4.239 -2.309 91 HD2 PHE 12 2HD PHE 12 -4.087 1.075 -1.925 92 HE1 PHE 12 1HE PHE 12 -5.498 5.294 -4.014 93 HE2 PHE 12 2HE PHE 12 -2.672 2.132 -3.629 94 HZ PHE 12 HZ PHE 12 -3.372 4.239 -4.674 95 HA PRO 13 HA PRO 13 -8.705 1.294 3.812 96 HB2 PRO 13 2HB PRO 13 -10.836 2.864 2.434 97 HB3 PRO 13 1HB PRO 13 -10.492 2.714 4.162 98 HG2 PRO 13 2HG PRO 13 -9.766 4.894 2.851 99 HG3 PRO 13 1HG PRO 13 -8.693 4.171 4.065 100 HD2 PRO 13 2HD PRO 13 -8.489 4.137 1.095 101 HD3 PRO 13 1HD PRO 13 -7.219 4.178 2.321 102 H ASP 14 H ASP 14 -9.343 1.127 0.408 103 HA ASP 14 HA ASP 14 -11.457 -0.761 0.343 104 HB2 ASP 14 2HB ASP 14 -9.149 -0.401 -1.593 105 HB3 ASP 14 1HB ASP 14 -10.449 -1.542 -1.862 106 H1 WMH 101 1HG AZH 3 -2.477 -1.014 4.545 107 H2 WMH 101 2HG AZH 3 -2.750 -0.429 2.939 108 H5 WMH 101 HD PRG 11 0.095 3.184 3.670 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -8.197 -1.007 1.268 2 HA2 GLY 1 2HA GLY 1 -7.585 -2.060 3.454 3 HA3 GLY 1 1HA GLY 1 -8.687 -3.356 2.983 4 H ARG 2 H ARG 2 -6.019 -1.546 1.570 5 HA ARG 2 HA ARG 2 -4.615 -4.004 0.952 6 HB2 ARG 2 2HB ARG 2 -5.460 -1.955 -1.086 7 HB3 ARG 2 1HB ARG 2 -4.109 -3.030 -1.351 8 HG2 ARG 2 2HG ARG 2 -5.624 -4.942 -1.212 9 HG3 ARG 2 1HG ARG 2 -6.980 -3.840 -0.940 10 HD2 ARG 2 2HD ARG 2 -6.785 -4.556 -3.300 11 HD3 ARG 2 1HD ARG 2 -6.627 -2.811 -3.089 12 HE ARG 2 HE ARG 2 -4.175 -4.345 -3.131 13 HH11 ARG 2 1HH1 ARG 2 -6.456 -2.411 -5.021 14 HH12 ARG 2 2HH1 ARG 2 -5.306 -1.924 -6.179 15 HH21 ARG 2 1HH2 ARG 2 -2.578 -3.685 -4.748 16 HH22 ARG 2 2HH2 ARG 2 -3.034 -2.671 -6.023 17 H ALA 3 H AZH 3 -2.428 -3.669 0.977 18 HA ALA 3 HA AZH 3 -1.349 -0.986 1.000 19 HB2 ALA 3 1HB AZH 3 0.039 -1.867 3.084 20 HB3 ALA 3 2HB AZH 3 -1.402 -2.841 3.347 21 H THR 4 H THR 4 0.631 -0.927 0.095 22 HA THR 4 HA THR 4 1.498 -3.400 -1.084 23 HB THR 4 HB THR 4 3.141 -2.005 -2.302 24 HG1 THR 4 1HG THR 4 3.605 -0.108 -1.657 25 HG21 THR 4 1HG2 THR 4 0.337 -0.877 -2.322 26 HG22 THR 4 2HG2 THR 4 0.897 -2.272 -3.244 27 HG23 THR 4 3HG2 THR 4 1.531 -0.666 -3.602 28 H LYS 5 H LYS 5 3.782 -4.033 -1.042 29 HA LYS 5 HA LYS 5 4.865 -3.746 1.648 30 HB2 LYS 5 2HB LYS 5 4.401 -6.032 0.775 31 HB3 LYS 5 1HB LYS 5 5.505 -5.735 -0.553 32 HG2 LYS 5 2HG LYS 5 6.523 -7.147 1.152 33 HG3 LYS 5 1HG LYS 5 7.366 -5.607 1.010 34 HD2 LYS 5 2HD LYS 5 6.156 -4.773 2.969 35 HD3 LYS 5 1HD LYS 5 5.339 -6.329 3.123 36 HE2 LYS 5 2HE LYS 5 7.203 -6.184 4.665 37 HE3 LYS 5 1HE LYS 5 7.511 -7.415 3.447 38 HZ1 LYS 5 1HZ LYS 5 8.984 -5.870 2.302 39 HZ2 LYS 5 2HZ LYS 5 9.459 -6.047 3.885 40 HZ3 LYS 5 3HZ LYS 5 8.637 -4.659 3.420 41 H SER 6 H SER 6 5.079 -2.093 -1.036 42 HA SER 6 HA SER 6 7.913 -1.965 -1.399 43 HB2 SER 6 2HB SER 6 7.152 -0.121 -3.010 44 HB3 SER 6 1HB SER 6 6.656 -1.774 -3.374 45 HG SER 6 HG SER 6 4.922 -0.466 -3.588 46 H ILE 7 H ILE 7 8.797 0.373 -1.502 47 HA ILE 7 HA ILE 7 7.761 1.982 0.710 48 HB ILE 7 HB ILE 7 10.684 1.549 -0.047 49 HG12 ILE 7 2HG1 ILE 7 9.171 0.796 2.474 50 HG13 ILE 7 1HG1 ILE 7 9.705 -0.324 1.229 51 HG21 ILE 7 1HG2 ILE 7 10.299 3.862 0.631 52 HG22 ILE 7 2HG2 ILE 7 11.235 3.005 1.856 53 HG23 ILE 7 3HG2 ILE 7 9.517 3.312 2.113 54 HD11 ILE 7 1HD1 ILE 7 11.160 -0.388 3.178 55 HD12 ILE 7 2HD1 ILE 7 11.493 1.335 2.998 56 HD13 ILE 7 3HD1 ILE 7 12.033 0.198 1.763 57 HA PRO 8 HA PRO 8 7.268 3.926 1.270 58 HB2 PRO 8 2HB PRO 8 5.236 5.601 -0.014 59 HB3 PRO 8 1HB PRO 8 6.366 6.028 1.269 60 HG2 PRO 8 2HG PRO 8 6.583 7.036 -1.223 61 HG3 PRO 8 1HG PRO 8 7.999 6.700 -0.209 62 HD2 PRO 8 2HD PRO 8 6.836 5.061 -2.434 63 HD3 PRO 8 1HD PRO 8 8.534 5.460 -2.103 64 HA PRO 9 HA PRO 9 4.018 0.985 0.493 65 HB2 PRO 9 2HB PRO 9 2.748 1.084 2.901 66 HB3 PRO 9 1HB PRO 9 4.294 0.260 2.674 67 HG2 PRO 9 2HG PRO 9 3.744 2.972 3.803 68 HG3 PRO 9 1HG PRO 9 4.896 1.745 4.357 69 HD2 PRO 9 2HD PRO 9 5.627 3.898 2.874 70 HD3 PRO 9 1HD PRO 9 6.469 2.339 2.795 71 H ILE 10 H ILE 10 2.192 1.267 -0.585 72 HA ILE 10 HA ILE 10 0.689 3.750 -0.245 73 HB ILE 10 HB ILE 10 0.519 1.683 -2.465 74 HG12 ILE 10 2HG1 ILE 10 1.913 4.374 -2.491 75 HG13 ILE 10 1HG1 ILE 10 2.724 2.815 -2.432 76 HG21 ILE 10 1HG2 ILE 10 -0.602 4.480 -2.266 77 HG22 ILE 10 2HG2 ILE 10 -1.527 2.982 -2.172 78 HG23 ILE 10 3HG2 ILE 10 -0.719 3.425 -3.676 79 HD11 ILE 10 1HD1 ILE 10 1.782 2.260 -4.624 80 HD12 ILE 10 2HD1 ILE 10 2.761 3.722 -4.680 81 HD13 ILE 10 3HD1 ILE 10 1.001 3.840 -4.680 82 H ALA 11 H PRG 11 -1.300 3.605 0.685 83 HA ALA 11 HA PRG 11 -2.400 0.921 0.881 84 HB1 ALA 11 1HB PRG 11 -3.278 1.323 3.068 85 HB2 ALA 11 2HB PRG 11 -2.767 2.982 3.099 86 H PHE 12 H PHE 12 -4.461 0.632 0.727 87 HA PHE 12 HA PHE 12 -5.899 2.814 -0.607 88 HB2 PHE 12 2HB PHE 12 -6.127 -0.158 -1.143 89 HB3 PHE 12 1HB PHE 12 -6.981 1.117 -1.987 90 HD1 PHE 12 1HD PHE 12 -5.825 2.598 -3.552 91 HD2 PHE 12 2HD PHE 12 -3.797 -0.635 -1.664 92 HE1 PHE 12 1HE PHE 12 -4.006 2.778 -5.195 93 HE2 PHE 12 2HE PHE 12 -1.979 -0.464 -3.301 94 HZ PHE 12 HZ PHE 12 -2.076 1.247 -5.072 95 HA PRO 13 HA PRO 13 -8.832 2.807 2.749 96 HB2 PRO 13 2HB PRO 13 -10.728 3.230 0.477 97 HB3 PRO 13 1HB PRO 13 -10.598 4.098 2.013 98 HG2 PRO 13 2HG PRO 13 -9.614 5.178 -0.188 99 HG3 PRO 13 1HG PRO 13 -8.718 5.285 1.336 100 HD2 PRO 13 2HD PRO 13 -8.195 3.578 -1.050 101 HD3 PRO 13 1HD PRO 13 -7.060 4.332 0.089 102 H ASP 14 H ASP 14 -9.502 0.888 -0.121 103 HA ASP 14 HA ASP 14 -11.634 -0.691 0.793 104 HB2 ASP 14 2HB ASP 14 -10.875 -0.719 -1.540 105 HB3 ASP 14 1HB ASP 14 -9.371 -1.488 -1.050 106 H1 WMH 101 1HG AZH 3 -2.185 -0.927 4.510 107 H2 WMH 101 2HG AZH 3 -2.487 -0.467 2.885 108 H5 WMH 101 HD PRG 11 -0.112 3.461 3.382 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -8.307 -0.829 1.504 2 HA2 GLY 1 2HA GLY 1 -7.649 -2.391 3.276 3 HA3 GLY 1 1HA GLY 1 -8.830 -3.508 2.611 4 H ARG 2 H ARG 2 -6.099 -1.595 1.376 5 HA ARG 2 HA ARG 2 -4.808 -4.031 0.524 6 HB2 ARG 2 2HB ARG 2 -6.241 -3.482 -1.404 7 HB3 ARG 2 1HB ARG 2 -5.549 -1.872 -1.474 8 HG2 ARG 2 2HG ARG 2 -4.597 -3.259 -3.206 9 HG3 ARG 2 1HG ARG 2 -3.357 -2.869 -2.016 10 HD2 ARG 2 2HD ARG 2 -3.220 -5.214 -2.686 11 HD3 ARG 2 1HD ARG 2 -3.653 -5.073 -0.985 12 HE ARG 2 HE ARG 2 -5.990 -5.238 -2.523 13 HH11 ARG 2 1HH1 ARG 2 -3.295 -7.341 -1.550 14 HH12 ARG 2 2HH1 ARG 2 -4.211 -8.762 -1.609 15 HH21 ARG 2 1HH2 ARG 2 -7.219 -7.218 -2.642 16 HH22 ARG 2 2HH2 ARG 2 -6.489 -8.699 -2.246 17 H ALA 3 H AZH 3 -2.795 -3.798 1.170 18 HA ALA 3 HA AZH 3 -1.480 -1.205 0.934 19 HB2 ALA 3 1HB AZH 3 -0.267 -2.146 3.129 20 HB3 ALA 3 2HB AZH 3 -1.833 -2.915 3.346 21 H THR 4 H THR 4 0.489 -1.305 0.055 22 HA THR 4 HA THR 4 1.456 -3.930 -0.704 23 HB THR 4 HB THR 4 2.962 -2.546 -2.199 24 HG1 THR 4 1HG THR 4 2.064 -0.381 -2.498 25 HG21 THR 4 1HG2 THR 4 -0.021 -2.133 -2.485 26 HG22 THR 4 2HG2 THR 4 0.876 -3.548 -3.031 27 HG23 THR 4 3HG2 THR 4 1.164 -1.979 -3.781 28 H LYS 5 H LYS 5 3.931 -4.171 -0.670 29 HA LYS 5 HA LYS 5 4.904 -3.146 1.904 30 HB2 LYS 5 2HB LYS 5 5.858 -5.527 0.303 31 HB3 LYS 5 1HB LYS 5 6.597 -4.961 1.791 32 HG2 LYS 5 2HG LYS 5 4.392 -5.364 2.925 33 HG3 LYS 5 1HG LYS 5 3.848 -6.123 1.431 34 HD2 LYS 5 2HD LYS 5 4.604 -7.850 2.944 35 HD3 LYS 5 1HD LYS 5 5.748 -7.725 1.608 36 HE2 LYS 5 2HE LYS 5 7.270 -6.413 3.003 37 HE3 LYS 5 1HE LYS 5 6.109 -6.442 4.326 38 HZ1 LYS 5 1HZ LYS 5 7.824 -8.045 4.672 39 HZ2 LYS 5 2HZ LYS 5 7.562 -8.771 3.188 40 HZ3 LYS 5 3HZ LYS 5 6.389 -8.882 4.397 41 H SER 6 H SER 6 4.956 -1.678 -0.657 42 HA SER 6 HA SER 6 7.682 -1.618 -1.496 43 HB2 SER 6 2HB SER 6 6.856 0.385 -2.786 44 HB3 SER 6 1HB SER 6 5.979 -1.112 -3.108 45 HG SER 6 HG SER 6 5.186 1.193 -1.714 46 H ILE 7 H ILE 7 8.675 0.709 -1.562 47 HA ILE 7 HA ILE 7 8.178 2.117 0.943 48 HB ILE 7 HB ILE 7 10.921 1.559 -0.269 49 HG12 ILE 7 2HG1 ILE 7 9.733 0.607 2.359 50 HG13 ILE 7 1HG1 ILE 7 9.980 -0.393 0.934 51 HG21 ILE 7 1HG2 ILE 7 10.811 3.787 0.702 52 HG22 ILE 7 2HG2 ILE 7 11.816 2.736 1.700 53 HG23 ILE 7 3HG2 ILE 7 10.170 3.120 2.204 54 HD11 ILE 7 1HD1 ILE 7 12.134 0.927 2.575 55 HD12 ILE 7 2HD1 ILE 7 12.399 -0.060 1.138 56 HD13 ILE 7 3HD1 ILE 7 11.710 -0.785 2.592 57 HA PRO 8 HA PRO 8 7.275 3.826 1.408 58 HB2 PRO 8 2HB PRO 8 5.286 5.517 0.759 59 HB3 PRO 8 1HB PRO 8 6.897 6.107 1.188 60 HG2 PRO 8 2HG PRO 8 5.685 5.721 -1.522 61 HG3 PRO 8 1HG PRO 8 6.611 7.099 -0.900 62 HD2 PRO 8 2HD PRO 8 7.722 5.172 -2.449 63 HD3 PRO 8 1HD PRO 8 8.632 6.036 -1.197 64 HA PRO 9 HA PRO 9 4.172 0.919 0.065 65 HB2 PRO 9 2HB PRO 9 2.669 0.748 2.300 66 HB3 PRO 9 1HB PRO 9 4.283 0.040 2.186 67 HG2 PRO 9 2HG PRO 9 3.415 2.589 3.474 68 HG3 PRO 9 1HG PRO 9 4.606 1.403 4.035 69 HD2 PRO 9 2HD PRO 9 5.260 3.758 2.795 70 HD3 PRO 9 1HD PRO 9 6.272 2.298 2.763 71 H ILE 10 H ILE 10 2.193 0.967 -0.880 72 HA ILE 10 HA ILE 10 0.732 3.501 -0.713 73 HB ILE 10 HB ILE 10 0.586 1.323 -2.834 74 HG12 ILE 10 2HG1 ILE 10 1.909 4.049 -2.960 75 HG13 ILE 10 1HG1 ILE 10 2.755 2.514 -2.836 76 HG21 ILE 10 1HG2 ILE 10 -0.635 4.093 -2.771 77 HG22 ILE 10 2HG2 ILE 10 -1.509 2.570 -2.616 78 HG23 ILE 10 3HG2 ILE 10 -0.705 2.974 -4.132 79 HD11 ILE 10 1HD1 ILE 10 1.864 1.863 -5.026 80 HD12 ILE 10 2HD1 ILE 10 2.796 3.359 -5.107 81 HD13 ILE 10 3HD1 ILE 10 1.034 3.415 -5.137 82 H ALA 11 H PRG 11 -1.209 3.455 0.309 83 HA ALA 11 HA PRG 11 -2.403 0.820 0.638 84 HB1 ALA 11 1HB PRG 11 -3.219 1.391 2.810 85 HB2 ALA 11 2HB PRG 11 -2.548 2.987 2.773 86 H PHE 12 H PHE 12 -4.496 0.655 0.567 87 HA PHE 12 HA PHE 12 -6.022 2.950 -0.443 88 HB2 PHE 12 2HB PHE 12 -6.326 0.012 -1.130 89 HB3 PHE 12 1HB PHE 12 -7.351 1.304 -1.727 90 HD1 PHE 12 1HD PHE 12 -4.121 -0.362 -2.036 91 HD2 PHE 12 2HD PHE 12 -6.523 2.873 -3.407 92 HE1 PHE 12 1HE PHE 12 -2.628 -0.077 -3.960 93 HE2 PHE 12 2HE PHE 12 -5.030 3.164 -5.334 94 HZ PHE 12 HZ PHE 12 -3.083 1.695 -5.619 95 HA PRO 13 HA PRO 13 -8.288 2.363 3.335 96 HB2 PRO 13 2HB PRO 13 -10.654 3.549 2.553 97 HB3 PRO 13 1HB PRO 13 -9.233 4.419 3.133 98 HG2 PRO 13 2HG PRO 13 -10.134 3.915 0.337 99 HG3 PRO 13 1HG PRO 13 -9.442 5.386 1.044 100 HD2 PRO 13 2HD PRO 13 -7.975 3.746 -0.478 101 HD3 PRO 13 1HD PRO 13 -7.271 4.566 0.932 102 H ASP 14 H ASP 14 -9.481 1.143 0.311 103 HA ASP 14 HA ASP 14 -11.637 -0.315 1.438 104 HB2 ASP 14 2HB ASP 14 -10.237 -0.578 -1.197 105 HB3 ASP 14 1HB ASP 14 -11.370 -1.819 -0.678 106 H1 WMH 101 1HG AZH 3 -2.355 -0.858 4.409 107 H2 WMH 101 2HG AZH 3 -2.634 -0.486 2.754 108 H5 WMH 101 HD PRG 11 0.159 3.202 3.000 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -8.204 -0.896 1.633 2 HA2 GLY 1 2HA GLY 1 -7.408 -2.399 3.353 3 HA3 GLY 1 1HA GLY 1 -8.592 -3.579 2.792 4 H ARG 2 H ARG 2 -5.945 -1.644 1.563 5 HA ARG 2 HA ARG 2 -4.795 -3.919 0.207 6 HB2 ARG 2 2HB ARG 2 -6.471 -3.220 -1.372 7 HB3 ARG 2 1HB ARG 2 -6.019 -1.550 -1.191 8 HG2 ARG 2 2HG ARG 2 -3.889 -2.040 -2.339 9 HG3 ARG 2 1HG ARG 2 -4.429 -3.713 -2.556 10 HD2 ARG 2 2HD ARG 2 -6.292 -3.045 -3.861 11 HD3 ARG 2 1HD ARG 2 -6.057 -1.349 -3.453 12 HE ARG 2 HE ARG 2 -3.895 -2.600 -4.886 13 HH11 ARG 2 1HH1 ARG 2 -6.898 -0.696 -5.134 14 HH12 ARG 2 2HH1 ARG 2 -6.542 -0.086 -6.683 15 HH21 ARG 2 1HH2 ARG 2 -3.441 -1.768 -7.034 16 HH22 ARG 2 2HH2 ARG 2 -4.561 -0.750 -7.807 17 H ALA 3 H AZH 3 -2.817 -3.688 0.996 18 HA ALA 3 HA AZH 3 -1.472 -1.096 0.845 19 HB2 ALA 3 1HB AZH 3 -0.299 -2.121 3.018 20 HB3 ALA 3 2HB AZH 3 -1.881 -2.868 3.191 21 H THR 4 H THR 4 0.512 -1.154 0.039 22 HA THR 4 HA THR 4 1.473 -3.745 -0.860 23 HB THR 4 HB THR 4 2.963 -2.403 -2.321 24 HG1 THR 4 1HG THR 4 3.270 -0.399 -1.892 25 HG21 THR 4 1HG2 THR 4 0.059 -1.565 -2.394 26 HG22 THR 4 2HG2 THR 4 0.739 -3.010 -3.145 27 HG23 THR 4 3HG2 THR 4 1.196 -1.409 -3.730 28 H LYS 5 H LYS 5 3.786 -4.227 -0.637 29 HA LYS 5 HA LYS 5 4.826 -3.287 1.925 30 HB2 LYS 5 2HB LYS 5 5.366 -5.698 0.219 31 HB3 LYS 5 1HB LYS 5 6.472 -5.239 1.503 32 HG2 LYS 5 2HG LYS 5 3.540 -5.780 1.923 33 HG3 LYS 5 1HG LYS 5 4.807 -6.992 2.129 34 HD2 LYS 5 2HD LYS 5 5.872 -5.560 3.836 35 HD3 LYS 5 1HD LYS 5 4.580 -4.382 3.636 36 HE2 LYS 5 2HE LYS 5 4.174 -7.233 4.530 37 HE3 LYS 5 1HE LYS 5 4.306 -5.854 5.616 38 HZ1 LYS 5 1HZ LYS 5 2.191 -6.204 3.545 39 HZ2 LYS 5 2HZ LYS 5 2.326 -4.921 4.644 40 HZ3 LYS 5 3HZ LYS 5 2.022 -6.466 5.199 41 H SER 6 H SER 6 4.931 -1.829 -0.654 42 HA SER 6 HA SER 6 7.703 -1.755 -1.374 43 HB2 SER 6 2HB SER 6 6.898 0.176 -2.792 44 HB3 SER 6 1HB SER 6 6.082 -1.359 -3.099 45 HG SER 6 HG SER 6 5.173 0.944 -1.782 46 H ILE 7 H ILE 7 8.823 0.433 -1.298 47 HA ILE 7 HA ILE 7 7.968 2.024 0.984 48 HB ILE 7 HB ILE 7 10.804 1.165 0.341 49 HG12 ILE 7 2HG1 ILE 7 9.089 0.778 2.804 50 HG13 ILE 7 1HG1 ILE 7 9.498 -0.459 1.623 51 HG21 ILE 7 1HG2 ILE 7 10.835 3.524 0.915 52 HG22 ILE 7 2HG2 ILE 7 11.519 2.568 2.232 53 HG23 ILE 7 3HG2 ILE 7 9.882 3.209 2.366 54 HD11 ILE 7 1HD1 ILE 7 10.831 -0.656 3.640 55 HD12 ILE 7 2HD1 ILE 7 11.434 0.986 3.405 56 HD13 ILE 7 3HD1 ILE 7 11.833 -0.278 2.240 57 HA PRO 8 HA PRO 8 7.289 3.821 1.398 58 HB2 PRO 8 2HB PRO 8 5.435 5.568 0.476 59 HB3 PRO 8 1HB PRO 8 6.998 6.090 1.115 60 HG2 PRO 8 2HG PRO 8 6.123 5.752 -1.719 61 HG3 PRO 8 1HG PRO 8 7.074 7.054 -0.987 62 HD2 PRO 8 2HD PRO 8 8.198 5.027 -2.406 63 HD3 PRO 8 1HD PRO 8 9.031 5.841 -1.067 64 HA PRO 9 HA PRO 9 4.143 1.036 -0.058 65 HB2 PRO 9 2HB PRO 9 2.641 0.858 2.159 66 HB3 PRO 9 1HB PRO 9 4.266 0.171 2.081 67 HG2 PRO 9 2HG PRO 9 3.346 2.722 3.330 68 HG3 PRO 9 1HG PRO 9 4.528 1.546 3.925 69 HD2 PRO 9 2HD PRO 9 5.187 3.895 2.656 70 HD3 PRO 9 1HD PRO 9 6.220 2.452 2.712 71 H ILE 10 H ILE 10 2.033 1.031 -0.813 72 HA ILE 10 HA ILE 10 0.666 3.624 -0.762 73 HB ILE 10 HB ILE 10 0.413 1.394 -2.818 74 HG12 ILE 10 2HG1 ILE 10 1.987 3.972 -3.062 75 HG13 ILE 10 1HG1 ILE 10 2.705 2.385 -2.823 76 HG21 ILE 10 1HG2 ILE 10 -0.668 3.142 -4.179 77 HG22 ILE 10 2HG2 ILE 10 -0.493 4.277 -2.839 78 HG23 ILE 10 3HG2 ILE 10 -1.526 2.859 -2.665 79 HD11 ILE 10 1HD1 ILE 10 2.847 3.075 -5.145 80 HD12 ILE 10 2HD1 ILE 10 1.095 3.271 -5.212 81 HD13 ILE 10 3HD1 ILE 10 1.795 1.668 -4.985 82 H ALA 11 H PRG 11 -1.344 3.581 0.207 83 HA ALA 11 HA PRG 11 -2.509 0.945 0.617 84 HB1 ALA 11 1HB PRG 11 -3.209 1.474 2.850 85 HB2 ALA 11 2HB PRG 11 -2.492 3.054 2.804 86 H PHE 12 H PHE 12 -4.570 0.792 0.575 87 HA PHE 12 HA PHE 12 -6.111 3.136 -0.267 88 HB2 PHE 12 2HB PHE 12 -6.450 0.275 -1.216 89 HB3 PHE 12 1HB PHE 12 -7.357 1.667 -1.759 90 HD1 PHE 12 1HD PHE 12 -6.567 3.051 -3.499 91 HD2 PHE 12 2HD PHE 12 -4.004 0.105 -1.821 92 HE1 PHE 12 1HE PHE 12 -4.965 3.399 -5.325 93 HE2 PHE 12 2HE PHE 12 -2.403 0.450 -3.645 94 HZ PHE 12 HZ PHE 12 -2.882 2.103 -5.401 95 HA PRO 13 HA PRO 13 -8.468 2.291 3.428 96 HB2 PRO 13 2HB PRO 13 -10.917 3.258 2.520 97 HB3 PRO 13 1HB PRO 13 -9.630 4.230 3.236 98 HG2 PRO 13 2HG PRO 13 -10.262 3.761 0.352 99 HG3 PRO 13 1HG PRO 13 -9.776 5.261 1.161 100 HD2 PRO 13 2HD PRO 13 -8.026 3.883 -0.277 101 HD3 PRO 13 1HD PRO 13 -7.538 4.620 1.268 102 H ASP 14 H ASP 14 -9.491 1.048 0.349 103 HA ASP 14 HA ASP 14 -11.590 -0.654 1.140 104 HB2 ASP 14 2HB ASP 14 -11.208 -0.291 -1.200 105 HB3 ASP 14 1HB ASP 14 -9.564 -0.902 -1.087 106 H1 WMH 101 1HG AZH 3 -2.330 -0.830 4.323 107 H2 WMH 101 2HG AZH 3 -2.659 -0.428 2.678 108 H5 WMH 101 HD PRG 11 0.218 3.193 2.851
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