NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12246 | 1sp7 | 6200 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PRO 1 1HT PRO 1 -5.746 -8.314 2.658 2 2H PRO 1 2HT PRO 1 -7.037 -7.936 3.604 3 HA PRO 1 HA PRO 1 -5.803 -7.206 5.048 4 1HB PRO 1 2HB PRO 1 -4.122 -9.594 5.507 5 2HB PRO 1 1HB PRO 1 -5.230 -8.768 6.616 6 1HG PRO 1 2HG PRO 1 -5.842 -11.144 5.540 7 2HG PRO 1 1HG PRO 1 -7.076 -9.905 5.832 8 1HD PRO 1 2HD PRO 1 -5.682 -10.618 3.265 9 2HD PRO 1 1HD PRO 1 -7.410 -10.340 3.558 10 H CYS 2 H CYS 2 -3.745 -6.211 5.428 11 HA CYS 2 HA CYS 2 -2.153 -6.099 3.029 12 1HB CYS 2 2HB CYS 2 -1.594 -4.497 5.472 13 2HB CYS 2 1HB CYS 2 -1.361 -4.071 3.797 14 HA PRO 3 HA PRO 3 1.150 -8.555 4.890 15 1HB PRO 3 2HB PRO 3 2.599 -8.864 2.678 16 2HB PRO 3 1HB PRO 3 1.059 -9.711 2.880 17 1HG PRO 3 2HG PRO 3 1.654 -7.217 1.366 18 2HG PRO 3 1HG PRO 3 0.660 -8.594 0.875 19 1HD PRO 3 2HD PRO 3 -0.357 -6.248 1.905 20 2HD PRO 3 1HD PRO 3 -1.168 -7.818 2.024 21 HA PRO 4 HA PRO 4 4.082 -5.614 6.174 22 1HB PRO 4 2HB PRO 4 6.406 -7.179 5.930 23 2HB PRO 4 1HB PRO 4 5.363 -7.045 7.346 24 1HG PRO 4 2HG PRO 4 5.415 -9.127 5.216 25 2HG PRO 4 1HG PRO 4 5.068 -9.291 6.949 26 1HD PRO 4 2HD PRO 4 3.110 -9.355 5.125 27 2HD PRO 4 1HD PRO 4 2.873 -8.571 6.702 28 H VAL 5 H VAL 5 4.740 -7.265 3.094 29 HA VAL 5 HA VAL 5 6.840 -5.496 2.379 30 HB VAL 5 HB VAL 5 6.894 -6.439 0.252 31 1HG1 VAL 5 1HG1 VAL 5 7.286 -8.701 0.703 32 2HG1 VAL 5 2HG1 VAL 5 5.969 -8.779 1.873 33 3HG1 VAL 5 3HG1 VAL 5 7.456 -7.918 2.274 34 1HG2 VAL 5 1HG2 VAL 5 5.233 -7.460 -0.914 35 2HG2 VAL 5 2HG2 VAL 5 4.313 -6.301 0.042 36 3HG2 VAL 5 3HG2 VAL 5 4.396 -7.996 0.536 37 H CYS 6 H CYS 6 3.428 -5.294 2.266 38 HA CYS 6 HA CYS 6 3.334 -3.185 0.319 39 1HB CYS 6 2HB CYS 6 1.272 -4.151 2.300 40 2HB CYS 6 1HB CYS 6 0.983 -2.992 0.996 41 H VAL 7 H VAL 7 3.455 -3.446 3.809 42 HA VAL 7 HA VAL 7 2.839 -0.785 4.397 43 HB VAL 7 HB VAL 7 4.154 -3.006 5.956 44 1HG1 VAL 7 1HG1 VAL 7 4.909 -1.564 7.475 45 2HG1 VAL 7 2HG1 VAL 7 3.258 -0.994 7.720 46 3HG1 VAL 7 3HG1 VAL 7 4.297 -0.202 6.537 47 1HG2 VAL 7 1HG2 VAL 7 2.100 -3.620 6.348 48 2HG2 VAL 7 2HG2 VAL 7 1.511 -2.313 5.322 49 3HG2 VAL 7 3HG2 VAL 7 1.735 -2.038 7.051 50 H ALA 8 H ALA 8 5.828 -2.545 3.906 51 HA ALA 8 HA ALA 8 7.431 -0.169 4.292 52 1HB ALA 8 1HB ALA 8 9.278 -1.793 3.665 53 2HB ALA 8 2HB ALA 8 8.020 -3.033 3.630 54 3HB ALA 8 3HB ALA 8 8.360 -2.166 5.127 55 H GLN 9 H GLN 9 6.040 -1.877 1.550 56 HA GLN 9 HA GLN 9 7.226 0.141 -0.185 57 1HB GLN 9 2HB GLN 9 7.246 -2.725 -1.068 58 2HB GLN 9 1HB GLN 9 8.150 -1.365 -1.720 59 1HG GLN 9 2HG GLN 9 9.381 -1.323 0.498 60 2HG GLN 9 1HG GLN 9 8.653 -2.898 0.803 61 1HE2 GLN 9 1HE2 GLN 9 9.067 -4.589 -0.806 62 2HE2 GLN 9 2HE2 GLN 9 10.585 -4.597 -1.631 63 H CYS 10 H CYS 10 5.863 0.854 -1.731 64 HA CYS 10 HA CYS 10 3.213 -0.323 -1.863 65 1HB CYS 10 2HB CYS 10 3.709 2.189 -1.723 66 2HB CYS 10 1HB CYS 10 4.235 2.072 -3.398 67 H VAL 11 H VAL 11 4.171 -2.312 -2.867 68 HA VAL 11 HA VAL 11 5.141 -2.085 -5.549 69 HB VAL 11 HB VAL 11 4.786 -4.689 -5.429 70 1HG1 VAL 11 1HG1 VAL 11 7.018 -4.899 -4.593 71 2HG1 VAL 11 2HG1 VAL 11 6.910 -3.328 -3.797 72 3HG1 VAL 11 3HG1 VAL 11 6.908 -3.427 -5.558 73 1HG2 VAL 11 1HG2 VAL 11 4.668 -5.675 -3.351 74 2HG2 VAL 11 2HG2 VAL 11 3.585 -4.306 -3.153 75 3HG2 VAL 11 3HG2 VAL 11 5.225 -4.231 -2.504 76 HA PRO 12 HA PRO 12 1.473 -2.466 -7.852 77 1HB PRO 12 2HB PRO 12 2.471 -4.725 -9.435 78 2HB PRO 12 1HB PRO 12 2.126 -3.070 -9.937 79 1HG PRO 12 2HG PRO 12 4.645 -4.022 -9.730 80 2HG PRO 12 1HG PRO 12 4.236 -2.328 -9.411 81 1HD PRO 12 2HD PRO 12 4.767 -4.548 -7.477 82 2HD PRO 12 1HD PRO 12 5.242 -2.838 -7.391 83 H THR 13 H THR 13 2.576 -5.425 -6.393 84 HA THR 13 HA THR 13 0.148 -6.845 -6.963 85 HB THR 13 HB THR 13 1.166 -8.442 -5.187 86 HG1 THR 13 1HG THR 13 2.732 -6.526 -4.733 87 1HG2 THR 13 1HG2 THR 13 1.250 -9.042 -7.496 88 2HG2 THR 13 2HG2 THR 13 2.839 -9.316 -6.781 89 3HG2 THR 13 3HG2 THR 13 2.559 -7.898 -7.793 90 H CYS 14 H CYS 14 1.277 -4.697 -4.574 91 HA CYS 14 HA CYS 14 -0.343 -5.546 -2.438 92 1HB CYS 14 2HB CYS 14 1.122 -3.040 -3.123 93 2HB CYS 14 1HB CYS 14 0.124 -3.139 -1.675 94 HA PRO 15 HA PRO 15 -4.344 -3.812 -3.411 95 1HB PRO 15 2HB PRO 15 -5.290 -3.574 -0.913 96 2HB PRO 15 1HB PRO 15 -5.070 -5.145 -1.649 97 1HG PRO 15 2HG PRO 15 -3.260 -3.665 0.176 98 2HG PRO 15 1HG PRO 15 -3.844 -5.328 0.333 99 1HD PRO 15 2HD PRO 15 -1.444 -4.803 -0.669 100 2HD PRO 15 1HD PRO 15 -2.450 -6.087 -1.368 101 H GLN 16 H GLN 16 -4.847 -1.827 -3.853 102 HA GLN 16 HA GLN 16 -3.213 0.318 -3.397 103 1HB GLN 16 2HB GLN 16 -4.890 0.137 -5.209 104 2HB GLN 16 1HB GLN 16 -6.159 0.458 -4.057 105 1HG GLN 16 2HG GLN 16 -5.894 2.536 -4.846 106 2HG GLN 16 1HG GLN 16 -4.682 2.585 -3.572 107 1HE2 GLN 16 1HE2 GLN 16 -4.385 0.904 -6.660 108 2HE2 GLN 16 2HE2 GLN 16 -3.097 1.878 -7.269 109 H TYR 17 H TYR 17 -5.979 -0.717 -1.543 110 HA TYR 17 HA TYR 17 -6.065 1.647 -0.003 111 1HB TYR 17 2HB TYR 17 -7.535 0.262 1.550 112 2HB TYR 17 1HB TYR 17 -8.105 0.477 -0.100 113 HD1 TYR 17 1HD TYR 17 -8.413 -1.377 -1.549 114 HD2 TYR 17 2HD TYR 17 -6.573 -1.936 2.246 115 HE1 TYR 17 1HE TYR 17 -8.770 -3.806 -1.735 116 HE2 TYR 17 2HE TYR 17 -6.912 -4.370 2.084 117 HH TYR 17 HH TYR 17 -7.192 -6.030 -0.020 118 H CYS 18 H CYS 18 -3.955 -1.003 0.140 119 HA CYS 18 HA CYS 18 -3.409 -0.476 2.970 120 1HB CYS 18 2HB CYS 18 -2.273 -2.500 1.063 121 2HB CYS 18 1HB CYS 18 -1.806 -2.343 2.751 122 H CYS 19 H CYS 19 -2.259 0.475 -0.110 123 HA CYS 19 HA CYS 19 0.454 0.885 0.464 124 1HB CYS 19 2HB CYS 19 -0.352 0.999 -1.814 125 2HB CYS 19 1HB CYS 19 -1.285 2.451 -1.442 126 HA PRO 20 HA PRO 20 -0.123 4.263 3.307 127 1HB PRO 20 2HB PRO 20 2.416 4.661 4.046 128 2HB PRO 20 1HB PRO 20 1.541 3.202 4.530 129 1HG PRO 20 2HG PRO 20 3.493 3.577 2.283 130 2HG PRO 20 1HG PRO 20 3.406 2.259 3.467 131 1HD PRO 20 2HD PRO 20 2.376 2.094 0.931 132 2HD PRO 20 1HD PRO 20 1.748 1.174 2.321 133 H ALA 21 H ALA 21 -0.821 5.861 1.968 134 HA ALA 21 HA ALA 21 0.962 7.266 0.213 135 1HB ALA 21 1HB ALA 21 -0.874 8.680 -0.325 136 2HB ALA 21 2HB ALA 21 -1.780 8.142 1.089 137 3HB ALA 21 3HB ALA 21 -1.472 7.022 -0.239 138 H LYS 22 H LYS 22 2.440 8.517 0.926 139 HA LYS 22 HA LYS 22 2.553 9.663 3.512 140 1HB LYS 22 2HB LYS 22 4.187 10.136 1.010 141 2HB LYS 22 1HB LYS 22 4.426 11.131 2.434 142 1HG LYS 22 2HG LYS 22 4.856 9.060 3.745 143 2HG LYS 22 1HG LYS 22 4.795 8.149 2.236 144 1HD LYS 22 2HD LYS 22 6.541 10.252 1.709 145 2HD LYS 22 1HD LYS 22 6.944 9.742 3.349 146 1HE LYS 22 2HE LYS 22 7.374 7.522 2.655 147 2HE LYS 22 1HE LYS 22 6.639 7.798 1.077 148 1HZ LYS 22 1HZ LYS 22 8.826 7.970 0.538 149 2HZ LYS 22 2HZ LYS 22 9.289 8.562 2.053 150 3HZ LYS 22 3HZ LYS 22 8.535 9.589 0.940 151 H ARG 23 H ARG 23 0.467 10.752 3.715 152 HA ARG 23 HA ARG 23 0.645 13.523 3.290 153 1HB ARG 23 2HB ARG 23 0.168 12.808 0.933 154 2HB ARG 23 1HB ARG 23 -1.376 12.177 1.489 155 1HG ARG 23 2HG ARG 23 -2.307 14.217 1.622 156 2HG ARG 23 1HG ARG 23 -0.833 14.965 2.232 157 1HD ARG 23 2HD ARG 23 0.094 14.781 -0.094 158 2HD ARG 23 1HD ARG 23 -1.524 14.318 -0.621 159 HE ARG 23 HE ARG 23 -0.642 16.948 0.230 160 1HH1 ARG 23 1HH1 ARG 23 -3.348 14.865 -0.507 161 2HH1 ARG 23 2HH1 ARG 23 -4.444 16.177 -0.773 162 1HH2 ARG 23 1HH2 ARG 23 -2.086 18.672 -0.105 163 2HH2 ARG 23 2HH2 ARG 23 -3.727 18.339 -0.548 164 H LYS 24 H LYS 24 -1.478 14.637 3.837 165 HA LYS 24 HA LYS 24 -3.587 13.220 5.065 166 1HB LYS 24 2HB LYS 24 -3.119 13.759 7.439 167 2HB LYS 24 1HB LYS 24 -1.973 12.605 6.772 168 1HG LYS 24 2HG LYS 24 -1.367 15.547 6.909 169 2HG LYS 24 1HG LYS 24 -1.064 14.460 8.262 170 1HD LYS 24 2HD LYS 24 0.746 13.561 7.290 171 2HD LYS 24 1HD LYS 24 -0.019 13.478 5.715 172 1HE LYS 24 2HE LYS 24 1.181 15.216 5.046 173 2HE LYS 24 1HE LYS 24 0.419 16.210 6.289 174 1HZ LYS 24 1HZ LYS 24 2.121 15.437 7.855 175 2HZ LYS 24 2HZ LYS 24 2.799 16.254 6.538 176 3HZ LYS 24 3HZ LYS 24 2.872 14.566 6.611 Start of MODEL 2 1 1H PRO 1 1HT PRO 1 -5.569 -8.619 2.666 2 2H PRO 1 2HT PRO 1 -6.895 -8.414 3.617 3 HA PRO 1 HA PRO 1 -5.729 -7.435 4.977 4 1HB PRO 1 2HB PRO 1 -3.877 -9.584 5.714 5 2HB PRO 1 1HB PRO 1 -5.202 -8.883 6.655 6 1HG PRO 1 2HG PRO 1 -5.311 -11.381 5.615 7 2HG PRO 1 1HG PRO 1 -6.747 -10.364 5.834 8 1HD PRO 1 2HD PRO 1 -5.148 -10.873 3.340 9 2HD PRO 1 1HD PRO 1 -6.909 -10.855 3.555 10 H CYS 2 H CYS 2 -3.737 -6.280 5.350 11 HA CYS 2 HA CYS 2 -2.110 -6.169 2.994 12 1HB CYS 2 2HB CYS 2 -1.537 -4.578 5.439 13 2HB CYS 2 1HB CYS 2 -1.329 -4.145 3.761 14 HA PRO 3 HA PRO 3 1.218 -8.602 4.819 15 1HB PRO 3 2HB PRO 3 2.673 -8.850 2.602 16 2HB PRO 3 1HB PRO 3 1.150 -9.728 2.790 17 1HG PRO 3 2HG PRO 3 1.702 -7.202 1.312 18 2HG PRO 3 1HG PRO 3 0.729 -8.587 0.802 19 1HD PRO 3 2HD PRO 3 -0.321 -6.274 1.860 20 2HD PRO 3 1HD PRO 3 -1.109 -7.858 1.962 21 HA PRO 4 HA PRO 4 4.123 -5.625 6.132 22 1HB PRO 4 2HB PRO 4 6.467 -7.154 5.907 23 2HB PRO 4 1HB PRO 4 5.396 -7.066 7.308 24 1HG PRO 4 2HG PRO 4 5.502 -9.093 5.124 25 2HG PRO 4 1HG PRO 4 5.172 -9.316 6.852 26 1HD PRO 4 2HD PRO 4 3.197 -9.377 5.057 27 2HD PRO 4 1HD PRO 4 2.961 -8.609 6.643 28 H VAL 5 H VAL 5 4.788 -7.250 3.043 29 HA VAL 5 HA VAL 5 6.890 -5.476 2.349 30 HB VAL 5 HB VAL 5 6.939 -6.404 0.198 31 1HG1 VAL 5 1HG1 VAL 5 7.376 -7.890 2.363 32 2HG1 VAL 5 2HG1 VAL 5 7.603 -8.507 0.726 33 3HG1 VAL 5 3HG1 VAL 5 6.118 -8.868 1.606 34 1HG2 VAL 5 1HG2 VAL 5 5.292 -7.465 -0.946 35 2HG2 VAL 5 2HG2 VAL 5 4.351 -6.340 0.028 36 3HG2 VAL 5 3HG2 VAL 5 4.493 -8.032 0.517 37 H CYS 6 H CYS 6 3.476 -5.286 2.221 38 HA CYS 6 HA CYS 6 3.380 -3.164 0.289 39 1HB CYS 6 2HB CYS 6 1.325 -4.179 2.254 40 2HB CYS 6 1HB CYS 6 1.022 -3.000 0.968 41 H VAL 7 H VAL 7 3.453 -3.445 3.784 42 HA VAL 7 HA VAL 7 2.829 -0.791 4.390 43 HB VAL 7 HB VAL 7 4.156 -3.019 5.933 44 1HG1 VAL 7 1HG1 VAL 7 3.242 -1.067 7.734 45 2HG1 VAL 7 2HG1 VAL 7 4.242 -0.215 6.557 46 3HG1 VAL 7 3HG1 VAL 7 4.906 -1.582 7.456 47 1HG2 VAL 7 1HG2 VAL 7 2.121 -3.643 6.392 48 2HG2 VAL 7 2HG2 VAL 7 1.534 -2.426 5.257 49 3HG2 VAL 7 3HG2 VAL 7 1.694 -2.028 6.971 50 H ALA 8 H ALA 8 5.819 -2.535 3.894 51 HA ALA 8 HA ALA 8 7.413 -0.163 4.303 52 1HB ALA 8 1HB ALA 8 9.279 -1.639 4.099 53 2HB ALA 8 2HB ALA 8 8.266 -2.893 3.374 54 3HB ALA 8 3HB ALA 8 8.049 -2.455 5.067 55 H GLN 9 H GLN 9 6.052 -1.869 1.537 56 HA GLN 9 HA GLN 9 7.249 0.164 -0.175 57 1HB GLN 9 2HB GLN 9 7.288 -2.721 -1.013 58 2HB GLN 9 1HB GLN 9 8.090 -1.359 -1.776 59 1HG GLN 9 2HG GLN 9 9.876 -1.536 -0.477 60 2HG GLN 9 1HG GLN 9 8.918 -1.791 0.974 61 1HE2 GLN 9 1HE2 GLN 9 7.541 -4.046 0.383 62 2HE2 GLN 9 2HE2 GLN 9 8.628 -5.374 0.185 63 H CYS 10 H CYS 10 5.907 0.883 -1.738 64 HA CYS 10 HA CYS 10 3.263 -0.297 -1.884 65 1HB CYS 10 2HB CYS 10 3.748 2.216 -1.736 66 2HB CYS 10 1HB CYS 10 4.274 2.105 -3.414 67 H VAL 11 H VAL 11 4.289 -2.287 -2.884 68 HA VAL 11 HA VAL 11 5.233 -2.053 -5.573 69 HB VAL 11 HB VAL 11 4.880 -4.649 -5.473 70 1HG1 VAL 11 1HG1 VAL 11 6.986 -3.398 -3.744 71 2HG1 VAL 11 2HG1 VAL 11 7.002 -3.321 -5.506 72 3HG1 VAL 11 3HG1 VAL 11 7.097 -4.882 -4.690 73 1HG2 VAL 11 1HG2 VAL 11 3.630 -4.324 -3.232 74 2HG2 VAL 11 2HG2 VAL 11 5.247 -4.214 -2.532 75 3HG2 VAL 11 3HG2 VAL 11 4.752 -5.667 -3.405 76 HA PRO 12 HA PRO 12 1.554 -2.405 -7.865 77 1HB PRO 12 2HB PRO 12 2.551 -4.679 -9.438 78 2HB PRO 12 1HB PRO 12 2.182 -3.032 -9.956 79 1HG PRO 12 2HG PRO 12 4.711 -3.936 -9.773 80 2HG PRO 12 1HG PRO 12 4.284 -2.251 -9.425 81 1HD PRO 12 2HD PRO 12 4.842 -4.497 -7.522 82 2HD PRO 12 1HD PRO 12 5.322 -2.790 -7.422 83 H THR 13 H THR 13 2.660 -5.385 -6.437 84 HA THR 13 HA THR 13 0.224 -6.787 -6.992 85 HB THR 13 HB THR 13 1.180 -8.429 -5.267 86 HG1 THR 13 1HG THR 13 2.922 -6.410 -4.972 87 1HG2 THR 13 1HG2 THR 13 2.439 -7.780 -7.877 88 2HG2 THR 13 2HG2 THR 13 1.498 -9.191 -7.394 89 3HG2 THR 13 3HG2 THR 13 3.163 -9.010 -6.841 90 H CYS 14 H CYS 14 1.336 -4.631 -4.596 91 HA CYS 14 HA CYS 14 -0.296 -5.483 -2.470 92 1HB CYS 14 2HB CYS 14 1.159 -2.962 -3.134 93 2HB CYS 14 1HB CYS 14 0.175 -3.101 -1.677 94 HA PRO 15 HA PRO 15 -4.302 -3.729 -3.412 95 1HB PRO 15 2HB PRO 15 -5.250 -3.568 -0.910 96 2HB PRO 15 1HB PRO 15 -5.012 -5.120 -1.683 97 1HG PRO 15 2HG PRO 15 -3.213 -3.662 0.172 98 2HG PRO 15 1HG PRO 15 -3.788 -5.332 0.299 99 1HD PRO 15 2HD PRO 15 -1.394 -4.776 -0.695 100 2HD PRO 15 1HD PRO 15 -2.397 -6.049 -1.419 101 H GLN 16 H GLN 16 -4.807 -1.728 -3.804 102 HA GLN 16 HA GLN 16 -3.193 0.420 -3.288 103 1HB GLN 16 2HB GLN 16 -4.878 0.307 -5.100 104 2HB GLN 16 1HB GLN 16 -6.145 0.567 -3.925 105 1HG GLN 16 2HG GLN 16 -5.840 2.745 -3.922 106 2HG GLN 16 1HG GLN 16 -4.094 2.583 -3.733 107 1HE2 GLN 16 1HE2 GLN 16 -3.326 1.336 -5.991 108 2HE2 GLN 16 2HE2 GLN 16 -3.681 2.305 -7.376 109 H TYR 17 H TYR 17 -5.942 -0.685 -1.450 110 HA TYR 17 HA TYR 17 -6.042 1.645 0.142 111 1HB TYR 17 2HB TYR 17 -7.481 0.215 1.678 112 2HB TYR 17 1HB TYR 17 -8.069 0.445 0.039 113 HD1 TYR 17 1HD TYR 17 -8.360 -1.381 -1.436 114 HD2 TYR 17 2HD TYR 17 -6.483 -1.987 2.338 115 HE1 TYR 17 1HE TYR 17 -8.687 -3.811 -1.666 116 HE2 TYR 17 2HE TYR 17 -6.788 -4.428 2.133 117 HH TYR 17 HH TYR 17 -8.586 -5.926 0.704 118 H CYS 18 H CYS 18 -3.922 -1.012 0.199 119 HA CYS 18 HA CYS 18 -3.330 -0.513 3.023 120 1HB CYS 18 2HB CYS 18 -2.215 -2.517 1.084 121 2HB CYS 18 1HB CYS 18 -1.750 -2.385 2.775 122 H CYS 19 H CYS 19 -2.246 0.466 -0.065 123 HA CYS 19 HA CYS 19 0.475 0.878 0.511 124 1HB CYS 19 2HB CYS 19 -0.272 0.921 -1.784 125 2HB CYS 19 1HB CYS 19 -1.252 2.357 -1.478 126 HA PRO 20 HA PRO 20 -0.126 4.365 3.217 127 1HB PRO 20 2HB PRO 20 2.408 4.788 3.952 128 2HB PRO 20 1HB PRO 20 1.526 3.356 4.496 129 1HG PRO 20 2HG PRO 20 3.505 3.618 2.259 130 2HG PRO 20 1HG PRO 20 3.386 2.353 3.495 131 1HD PRO 20 2HD PRO 20 2.391 2.095 0.949 132 2HD PRO 20 1HD PRO 20 1.747 1.229 2.366 133 H ALA 21 H ALA 21 -0.803 5.891 1.782 134 HA ALA 21 HA ALA 21 1.037 7.229 0.016 135 1HB ALA 21 1HB ALA 21 -1.229 6.988 -0.722 136 2HB ALA 21 2HB ALA 21 -0.869 8.700 -0.500 137 3HB ALA 21 3HB ALA 21 -1.826 7.837 0.704 138 H LYS 22 H LYS 22 2.468 8.558 0.785 139 HA LYS 22 HA LYS 22 2.200 9.912 3.295 140 1HB LYS 22 2HB LYS 22 4.247 10.356 1.104 141 2HB LYS 22 1HB LYS 22 4.387 10.893 2.774 142 1HG LYS 22 2HG LYS 22 5.589 9.013 2.987 143 2HG LYS 22 1HG LYS 22 4.003 8.263 3.165 144 1HD LYS 22 2HD LYS 22 4.254 7.104 1.275 145 2HD LYS 22 1HD LYS 22 4.729 8.548 0.379 146 1HE LYS 22 2HE LYS 22 6.511 6.794 2.064 147 2HE LYS 22 1HE LYS 22 6.514 6.923 0.305 148 1HZ LYS 22 1HZ LYS 22 8.250 8.285 0.934 149 2HZ LYS 22 2HZ LYS 22 7.453 8.874 2.303 150 3HZ LYS 22 3HZ LYS 22 6.985 9.395 0.764 151 H ARG 23 H ARG 23 0.135 11.112 2.847 152 HA ARG 23 HA ARG 23 0.598 13.808 2.318 153 1HB ARG 23 2HB ARG 23 0.870 12.967 -0.028 154 2HB ARG 23 1HB ARG 23 -0.807 12.445 0.015 155 1HG ARG 23 2HG ARG 23 -1.332 14.893 0.601 156 2HG ARG 23 1HG ARG 23 0.302 15.224 0.023 157 1HD ARG 23 2HD ARG 23 -0.449 13.855 -2.057 158 2HD ARG 23 1HD ARG 23 -2.077 14.209 -1.480 159 HE ARG 23 HE ARG 23 -0.599 16.593 -1.555 160 1HH1 ARG 23 1HH1 ARG 23 -1.997 14.246 -3.726 161 2HH1 ARG 23 2HH1 ARG 23 -2.227 15.384 -5.010 162 1HH2 ARG 23 1HH2 ARG 23 -0.903 18.093 -3.241 163 2HH2 ARG 23 2HH2 ARG 23 -1.605 17.569 -4.735 164 H LYS 24 H LYS 24 -1.272 15.105 2.560 165 HA LYS 24 HA LYS 24 -3.909 14.159 2.694 166 1HB LYS 24 2HB LYS 24 -4.289 14.088 5.133 167 2HB LYS 24 1HB LYS 24 -3.217 12.806 4.591 168 1HG LYS 24 2HG LYS 24 -2.087 15.362 5.662 169 2HG LYS 24 1HG LYS 24 -2.669 14.110 6.755 170 1HD LYS 24 2HD LYS 24 -1.149 12.496 5.748 171 2HD LYS 24 1HD LYS 24 -0.588 13.718 4.608 172 1HE LYS 24 2HE LYS 24 -0.385 14.676 7.316 173 2HE LYS 24 1HE LYS 24 0.467 13.144 7.124 174 1HZ LYS 24 1HZ LYS 24 1.236 14.472 4.929 175 2HZ LYS 24 2HZ LYS 24 2.110 14.446 6.376 176 3HZ LYS 24 3HZ LYS 24 1.086 15.747 6.030 Start of MODEL 3 1 1H PRO 1 1HT PRO 1 -5.788 -8.255 2.661 2 2H PRO 1 2HT PRO 1 -7.042 -8.033 3.701 3 HA PRO 1 HA PRO 1 -5.746 -7.268 5.073 4 1HB PRO 1 2HB PRO 1 -3.997 -9.590 5.482 5 2HB PRO 1 1HB PRO 1 -5.191 -8.885 6.583 6 1HG PRO 1 2HG PRO 1 -5.576 -11.263 5.361 7 2HG PRO 1 1HG PRO 1 -6.907 -10.161 5.754 8 1HD PRO 1 2HD PRO 1 -5.513 -10.581 3.124 9 2HD PRO 1 1HD PRO 1 -7.251 -10.450 3.462 10 H CYS 2 H CYS 2 -3.678 -6.270 5.427 11 HA CYS 2 HA CYS 2 -2.124 -6.125 2.998 12 1HB CYS 2 2HB CYS 2 -1.536 -4.539 5.444 13 2HB CYS 2 1HB CYS 2 -1.328 -4.104 3.768 14 HA PRO 3 HA PRO 3 1.172 -8.609 4.826 15 1HB PRO 3 2HB PRO 3 2.630 -8.879 2.610 16 2HB PRO 3 1HB PRO 3 1.092 -9.733 2.797 17 1HG PRO 3 2HG PRO 3 1.680 -7.212 1.323 18 2HG PRO 3 1HG PRO 3 0.695 -8.585 0.806 19 1HD PRO 3 2HD PRO 3 -0.340 -6.267 1.864 20 2HD PRO 3 1HD PRO 3 -1.140 -7.844 1.971 21 HA PRO 4 HA PRO 4 4.101 -5.670 6.157 22 1HB PRO 4 2HB PRO 4 6.434 -7.222 5.932 23 2HB PRO 4 1HB PRO 4 5.362 -7.120 7.332 24 1HG PRO 4 2HG PRO 4 5.454 -9.155 5.157 25 2HG PRO 4 1HG PRO 4 5.104 -9.366 6.883 26 1HD PRO 4 2HD PRO 4 3.147 -9.406 5.064 27 2HD PRO 4 1HD PRO 4 2.903 -8.643 6.650 28 H VAL 5 H VAL 5 4.761 -7.284 3.061 29 HA VAL 5 HA VAL 5 6.870 -5.512 2.372 30 HB VAL 5 HB VAL 5 6.919 -6.438 0.223 31 1HG1 VAL 5 1HG1 VAL 5 6.070 -8.910 1.591 32 2HG1 VAL 5 2HG1 VAL 5 7.302 -7.941 2.401 33 3HG1 VAL 5 3HG1 VAL 5 7.581 -8.531 0.763 34 1HG2 VAL 5 1HG2 VAL 5 5.258 -7.466 -0.932 35 2HG2 VAL 5 2HG2 VAL 5 4.326 -6.344 0.054 36 3HG2 VAL 5 3HG2 VAL 5 4.454 -8.042 0.525 37 H CYS 6 H CYS 6 3.454 -5.305 2.254 38 HA CYS 6 HA CYS 6 3.373 -3.186 0.314 39 1HB CYS 6 2HB CYS 6 1.302 -4.175 2.281 40 2HB CYS 6 1HB CYS 6 1.015 -2.992 0.999 41 H VAL 7 H VAL 7 3.477 -3.464 3.809 42 HA VAL 7 HA VAL 7 2.877 -0.804 4.421 43 HB VAL 7 HB VAL 7 4.199 -3.042 5.948 44 1HG1 VAL 7 1HG1 VAL 7 4.372 -0.255 6.557 45 2HG1 VAL 7 2HG1 VAL 7 4.967 -1.636 7.480 46 3HG1 VAL 7 3HG1 VAL 7 3.327 -1.043 7.740 47 1HG2 VAL 7 1HG2 VAL 7 1.560 -2.356 5.338 48 2HG2 VAL 7 2HG2 VAL 7 1.787 -2.068 7.065 49 3HG2 VAL 7 3HG2 VAL 7 2.157 -3.654 6.374 50 H ALA 8 H ALA 8 5.850 -2.572 3.894 51 HA ALA 8 HA ALA 8 7.464 -0.216 4.312 52 1HB ALA 8 1HB ALA 8 8.223 -2.383 5.099 53 2HB ALA 8 2HB ALA 8 9.329 -1.753 3.877 54 3HB ALA 8 3HB ALA 8 8.167 -3.014 3.454 55 H GLN 9 H GLN 9 6.080 -1.889 1.537 56 HA GLN 9 HA GLN 9 7.249 0.176 -0.151 57 1HB GLN 9 2HB GLN 9 7.350 -2.731 -0.932 58 2HB GLN 9 1HB GLN 9 7.983 -1.369 -1.840 59 1HG GLN 9 2HG GLN 9 9.864 -1.274 -0.647 60 2HG GLN 9 1HG GLN 9 9.055 -1.666 0.866 61 1HE2 GLN 9 1HE2 GLN 9 7.946 -4.053 0.427 62 2HE2 GLN 9 2HE2 GLN 9 9.149 -5.241 0.070 63 H CYS 10 H CYS 10 5.932 0.858 -1.760 64 HA CYS 10 HA CYS 10 3.276 -0.303 -1.884 65 1HB CYS 10 2HB CYS 10 3.771 2.210 -1.757 66 2HB CYS 10 1HB CYS 10 4.298 2.083 -3.431 67 H VAL 11 H VAL 11 4.284 -2.301 -2.867 68 HA VAL 11 HA VAL 11 5.267 -2.098 -5.541 69 HB VAL 11 HB VAL 11 4.858 -4.694 -5.426 70 1HG1 VAL 11 1HG1 VAL 11 7.018 -3.633 -5.575 71 2HG1 VAL 11 2HG1 VAL 11 7.061 -4.940 -4.392 72 3HG1 VAL 11 3HG1 VAL 11 6.980 -3.264 -3.851 73 1HG2 VAL 11 1HG2 VAL 11 3.610 -4.314 -3.192 74 2HG2 VAL 11 2HG2 VAL 11 5.227 -4.225 -2.491 75 3HG2 VAL 11 3HG2 VAL 11 4.706 -5.680 -3.343 76 HA PRO 12 HA PRO 12 1.620 -2.435 -7.890 77 1HB PRO 12 2HB PRO 12 2.602 -4.711 -9.460 78 2HB PRO 12 1HB PRO 12 2.306 -3.046 -9.967 79 1HG PRO 12 2HG PRO 12 4.799 -4.050 -9.718 80 2HG PRO 12 1HG PRO 12 4.422 -2.349 -9.386 81 1HD PRO 12 2HD PRO 12 4.842 -4.609 -7.464 82 2HD PRO 12 1HD PRO 12 5.387 -2.923 -7.356 83 H THR 13 H THR 13 2.626 -5.385 -6.364 84 HA THR 13 HA THR 13 0.185 -6.763 -6.997 85 HB THR 13 HB THR 13 1.098 -8.419 -5.261 86 HG1 THR 13 1HG THR 13 3.495 -6.981 -5.653 87 1HG2 THR 13 1HG2 THR 13 2.355 -7.796 -7.875 88 2HG2 THR 13 2HG2 THR 13 1.444 -9.217 -7.362 89 3HG2 THR 13 3HG2 THR 13 3.110 -8.997 -6.826 90 H CYS 14 H CYS 14 1.314 -4.636 -4.581 91 HA CYS 14 HA CYS 14 -0.331 -5.482 -2.465 92 1HB CYS 14 2HB CYS 14 1.144 -2.970 -3.123 93 2HB CYS 14 1HB CYS 14 0.152 -3.094 -1.672 94 HA PRO 15 HA PRO 15 -4.328 -3.717 -3.409 95 1HB PRO 15 2HB PRO 15 -5.264 -3.511 -0.902 96 2HB PRO 15 1HB PRO 15 -5.043 -5.074 -1.656 97 1HG PRO 15 2HG PRO 15 -3.224 -3.611 0.172 98 2HG PRO 15 1HG PRO 15 -3.812 -5.272 0.321 99 1HD PRO 15 2HD PRO 15 -1.418 -4.753 -0.690 100 2HD PRO 15 1HD PRO 15 -2.437 -6.020 -1.396 101 H GLN 16 H GLN 16 -4.833 -1.717 -3.814 102 HA GLN 16 HA GLN 16 -3.193 0.419 -3.338 103 1HB GLN 16 2HB GLN 16 -4.905 0.299 -5.130 104 2HB GLN 16 1HB GLN 16 -6.151 0.599 -3.943 105 1HG GLN 16 2HG GLN 16 -5.787 2.772 -3.938 106 2HG GLN 16 1HG GLN 16 -4.037 2.572 -3.846 107 1HE2 GLN 16 1HE2 GLN 16 -3.499 1.220 -6.150 108 2HE2 GLN 16 2HE2 GLN 16 -3.881 2.205 -7.517 109 H TYR 17 H TYR 17 -5.939 -0.631 -1.462 110 HA TYR 17 HA TYR 17 -5.992 1.713 0.109 111 1HB TYR 17 2HB TYR 17 -7.451 0.324 1.661 112 2HB TYR 17 1HB TYR 17 -8.038 0.539 0.018 113 HD1 TYR 17 1HD TYR 17 -8.360 -1.309 -1.426 114 HD2 TYR 17 2HD TYR 17 -6.461 -1.875 2.344 115 HE1 TYR 17 1HE TYR 17 -8.702 -3.738 -1.621 116 HE2 TYR 17 2HE TYR 17 -6.781 -4.314 2.173 117 HH TYR 17 HH TYR 17 -8.227 -5.752 -0.746 118 H CYS 18 H CYS 18 -3.909 -0.963 0.185 119 HA CYS 18 HA CYS 18 -3.314 -0.461 3.008 120 1HB CYS 18 2HB CYS 18 -2.231 -2.495 1.081 121 2HB CYS 18 1HB CYS 18 -1.752 -2.355 2.764 122 H CYS 19 H CYS 19 -2.199 0.462 -0.095 123 HA CYS 19 HA CYS 19 0.522 0.854 0.452 124 1HB CYS 19 2HB CYS 19 -0.271 0.956 -1.827 125 2HB CYS 19 1HB CYS 19 -1.228 2.395 -1.470 126 HA PRO 20 HA PRO 20 -0.013 4.251 3.269 127 1HB PRO 20 2HB PRO 20 2.551 4.707 3.909 128 2HB PRO 20 1HB PRO 20 1.699 3.267 4.475 129 1HG PRO 20 2HG PRO 20 3.604 3.557 2.178 130 2HG PRO 20 1HG PRO 20 3.514 2.269 3.395 131 1HD PRO 20 2HD PRO 20 2.449 2.064 0.872 132 2HD PRO 20 1HD PRO 20 1.842 1.171 2.288 133 H ALA 21 H ALA 21 -0.798 5.768 1.896 134 HA ALA 21 HA ALA 21 1.083 7.431 0.378 135 1HB ALA 21 1HB ALA 21 -1.917 7.242 0.349 136 2HB ALA 21 2HB ALA 21 -0.788 6.738 -0.910 137 3HB ALA 21 3HB ALA 21 -0.988 8.450 -0.539 138 H LYS 22 H LYS 22 1.891 9.075 1.423 139 HA LYS 22 HA LYS 22 0.745 10.130 3.835 140 1HB LYS 22 2HB LYS 22 3.072 11.055 2.129 141 2HB LYS 22 1HB LYS 22 2.544 11.946 3.546 142 1HG LYS 22 2HG LYS 22 3.050 9.058 3.927 143 2HG LYS 22 1HG LYS 22 4.450 10.089 3.623 144 1HD LYS 22 2HD LYS 22 2.375 10.683 5.724 145 2HD LYS 22 1HD LYS 22 3.849 9.769 6.045 146 1HE LYS 22 2HE LYS 22 5.194 11.599 5.843 147 2HE LYS 22 1HE LYS 22 4.125 12.392 4.688 148 1HZ LYS 22 1HZ LYS 22 4.333 13.267 7.117 149 2HZ LYS 22 2HZ LYS 22 3.213 12.048 7.456 150 3HZ LYS 22 3HZ LYS 22 2.829 13.260 6.341 151 H ARG 23 H ARG 23 -1.440 10.686 3.026 152 HA ARG 23 HA ARG 23 -1.862 13.390 2.665 153 1HB ARG 23 2HB ARG 23 -0.750 13.120 0.474 154 2HB ARG 23 1HB ARG 23 -1.943 11.914 0.020 155 1HG ARG 23 2HG ARG 23 -2.847 13.719 -1.001 156 2HG ARG 23 1HG ARG 23 -3.607 13.901 0.579 157 1HD ARG 23 2HD ARG 23 -1.748 15.423 1.228 158 2HD ARG 23 1HD ARG 23 -1.142 15.317 -0.425 159 HE ARG 23 HE ARG 23 -3.747 16.101 -0.689 160 1HH1 ARG 23 1HH1 ARG 23 -0.960 17.338 1.008 161 2HH1 ARG 23 2HH1 ARG 23 -1.464 18.990 0.885 162 1HH2 ARG 23 1HH2 ARG 23 -4.411 18.272 -0.852 163 2HH2 ARG 23 2HH2 ARG 23 -3.422 19.521 -0.172 164 H LYS 24 H LYS 24 -4.071 13.909 2.524 165 HA LYS 24 HA LYS 24 -6.170 12.265 1.757 166 1HB LYS 24 2HB LYS 24 -7.018 11.252 3.775 167 2HB LYS 24 1HB LYS 24 -5.375 10.690 3.522 168 1HG LYS 24 2HG LYS 24 -4.546 11.985 5.299 169 2HG LYS 24 1HG LYS 24 -6.003 12.980 5.363 170 1HD LYS 24 2HD LYS 24 -7.236 10.824 5.956 171 2HD LYS 24 1HD LYS 24 -5.639 10.127 6.235 172 1HE LYS 24 2HE LYS 24 -6.016 12.714 7.531 173 2HE LYS 24 1HE LYS 24 -7.153 11.486 8.085 174 1HZ LYS 24 1HZ LYS 24 -4.416 11.775 8.713 175 2HZ LYS 24 2HZ LYS 24 -4.662 10.273 7.976 176 3HZ LYS 24 3HZ LYS 24 -5.543 10.691 9.358 Start of MODEL 4 1 1H PRO 1 1HT PRO 1 -5.746 -8.222 2.567 2 2H PRO 1 2HT PRO 1 -7.068 -7.965 3.511 3 HA PRO 1 HA PRO 1 -5.867 -7.109 4.917 4 1HB PRO 1 2HB PRO 1 -4.131 -9.377 5.578 5 2HB PRO 1 1HB PRO 1 -5.417 -8.637 6.547 6 1HG PRO 1 2HG PRO 1 -5.662 -11.086 5.420 7 2HG PRO 1 1HG PRO 1 -7.040 -9.999 5.676 8 1HD PRO 1 2HD PRO 1 -5.477 -10.516 3.162 9 2HD PRO 1 1HD PRO 1 -7.233 -10.395 3.385 10 H CYS 2 H CYS 2 -3.829 -6.073 5.337 11 HA CYS 2 HA CYS 2 -2.172 -6.012 2.990 12 1HB CYS 2 2HB CYS 2 -1.653 -4.394 5.426 13 2HB CYS 2 1HB CYS 2 -1.360 -3.994 3.755 14 HA PRO 3 HA PRO 3 1.051 -8.502 4.924 15 1HB PRO 3 2HB PRO 3 2.529 -8.848 2.737 16 2HB PRO 3 1HB PRO 3 0.977 -9.675 2.927 17 1HG PRO 3 2HG PRO 3 1.621 -7.208 1.391 18 2HG PRO 3 1HG PRO 3 0.617 -8.580 0.904 19 1HD PRO 3 2HD PRO 3 -0.387 -6.212 1.889 20 2HD PRO 3 1HD PRO 3 -1.217 -7.773 2.020 21 HA PRO 4 HA PRO 4 4.012 -5.600 6.213 22 1HB PRO 4 2HB PRO 4 6.327 -7.176 6.036 23 2HB PRO 4 1HB PRO 4 5.235 -7.057 7.418 24 1HG PRO 4 2HG PRO 4 5.338 -9.103 5.252 25 2HG PRO 4 1HG PRO 4 4.973 -9.306 6.975 26 1HD PRO 4 2HD PRO 4 3.030 -9.339 5.142 27 2HD PRO 4 1HD PRO 4 2.781 -8.568 6.723 28 H VAL 5 H VAL 5 4.694 -7.279 3.154 29 HA VAL 5 HA VAL 5 6.826 -5.541 2.458 30 HB VAL 5 HB VAL 5 6.887 -6.509 0.326 31 1HG1 VAL 5 1HG1 VAL 5 7.577 -8.562 0.957 32 2HG1 VAL 5 2HG1 VAL 5 6.030 -8.960 1.706 33 3HG1 VAL 5 3HG1 VAL 5 7.200 -7.967 2.574 34 1HG2 VAL 5 1HG2 VAL 5 5.233 -7.620 -0.789 35 2HG2 VAL 5 2HG2 VAL 5 4.323 -6.401 0.098 36 3HG2 VAL 5 3HG2 VAL 5 4.391 -8.064 0.693 37 H CYS 6 H CYS 6 3.416 -5.309 2.275 38 HA CYS 6 HA CYS 6 3.390 -3.214 0.310 39 1HB CYS 6 2HB CYS 6 1.271 -4.137 2.255 40 2HB CYS 6 1HB CYS 6 1.027 -2.999 0.920 41 H VAL 7 H VAL 7 3.435 -3.457 3.807 42 HA VAL 7 HA VAL 7 2.839 -0.794 4.394 43 HB VAL 7 HB VAL 7 4.127 -3.032 5.956 44 1HG1 VAL 7 1HG1 VAL 7 3.760 -0.168 6.748 45 2HG1 VAL 7 2HG1 VAL 7 5.123 -1.246 7.050 46 3HG1 VAL 7 3HG1 VAL 7 3.619 -1.455 7.947 47 1HG2 VAL 7 1HG2 VAL 7 2.079 -3.593 6.446 48 2HG2 VAL 7 2HG2 VAL 7 1.518 -2.378 5.294 49 3HG2 VAL 7 3HG2 VAL 7 1.701 -1.957 7.000 50 H ALA 8 H ALA 8 5.817 -2.589 3.957 51 HA ALA 8 HA ALA 8 7.445 -0.238 4.347 52 1HB ALA 8 1HB ALA 8 9.290 -1.746 4.149 53 2HB ALA 8 2HB ALA 8 8.255 -2.987 3.434 54 3HB ALA 8 3HB ALA 8 8.048 -2.535 5.125 55 H GLN 9 H GLN 9 6.053 -1.931 1.594 56 HA GLN 9 HA GLN 9 7.287 0.076 -0.115 57 1HB GLN 9 2HB GLN 9 7.343 -2.779 -1.016 58 2HB GLN 9 1HB GLN 9 8.268 -1.412 -1.619 59 1HG GLN 9 2HG GLN 9 9.459 -1.388 0.591 60 2HG GLN 9 1HG GLN 9 8.670 -2.925 0.940 61 1HE2 GLN 9 1HE2 GLN 9 9.020 -4.667 -0.648 62 2HE2 GLN 9 2HE2 GLN 9 10.568 -4.776 -1.408 63 H CYS 10 H CYS 10 5.963 0.793 -1.690 64 HA CYS 10 HA CYS 10 3.320 -0.384 -1.894 65 1HB CYS 10 2HB CYS 10 3.805 2.126 -1.744 66 2HB CYS 10 1HB CYS 10 4.390 2.011 -3.400 67 H VAL 11 H VAL 11 4.272 -2.379 -2.868 68 HA VAL 11 HA VAL 11 5.329 -2.175 -5.524 69 HB VAL 11 HB VAL 11 4.964 -4.768 -5.406 70 1HG1 VAL 11 1HG1 VAL 11 7.107 -3.660 -5.501 71 2HG1 VAL 11 2HG1 VAL 11 7.148 -4.978 -4.330 72 3HG1 VAL 11 3HG1 VAL 11 7.021 -3.308 -3.774 73 1HG2 VAL 11 1HG2 VAL 11 4.851 -5.756 -3.299 74 2HG2 VAL 11 2HG2 VAL 11 3.641 -4.483 -3.235 75 3HG2 VAL 11 3HG2 VAL 11 5.207 -4.246 -2.455 76 HA PRO 12 HA PRO 12 1.730 -2.562 -7.929 77 1HB PRO 12 2HB PRO 12 2.773 -4.868 -9.431 78 2HB PRO 12 1HB PRO 12 2.426 -3.229 -9.990 79 1HG PRO 12 2HG PRO 12 4.946 -4.131 -9.706 80 2HG PRO 12 1HG PRO 12 4.510 -2.440 -9.394 81 1HD PRO 12 2HD PRO 12 4.989 -4.665 -7.443 82 2HD PRO 12 1HD PRO 12 5.479 -2.962 -7.350 83 H THR 13 H THR 13 2.772 -5.531 -6.422 84 HA THR 13 HA THR 13 0.339 -6.921 -7.024 85 HB THR 13 HB THR 13 1.280 -8.528 -5.230 86 HG1 THR 13 1HG THR 13 2.736 -6.986 -4.339 87 1HG2 THR 13 1HG2 THR 13 2.346 -9.696 -6.819 88 2HG2 THR 13 2HG2 THR 13 3.313 -8.316 -7.339 89 3HG2 THR 13 3HG2 THR 13 1.643 -8.477 -7.882 90 H CYS 14 H CYS 14 1.420 -4.756 -4.627 91 HA CYS 14 HA CYS 14 -0.275 -5.568 -2.526 92 1HB CYS 14 2HB CYS 14 1.272 -3.094 -3.165 93 2HB CYS 14 1HB CYS 14 0.236 -3.179 -1.743 94 HA PRO 15 HA PRO 15 -4.193 -3.712 -3.591 95 1HB PRO 15 2HB PRO 15 -5.214 -3.491 -1.123 96 2HB PRO 15 1HB PRO 15 -4.992 -5.057 -1.866 97 1HG PRO 15 2HG PRO 15 -3.218 -3.618 0.026 98 2HG PRO 15 1HG PRO 15 -3.836 -5.271 0.153 99 1HD PRO 15 2HD PRO 15 -1.396 -4.783 -0.774 100 2HD PRO 15 1HD PRO 15 -2.402 -6.046 -1.506 101 H GLN 16 H GLN 16 -4.650 -1.710 -4.015 102 HA GLN 16 HA GLN 16 -3.005 0.415 -3.503 103 1HB GLN 16 2HB GLN 16 -4.478 0.512 -5.343 104 2HB GLN 16 1HB GLN 16 -5.895 0.315 -4.359 105 1HG GLN 16 2HG GLN 16 -4.478 2.648 -3.531 106 2HG GLN 16 1HG GLN 16 -4.734 2.683 -5.270 107 1HE2 GLN 16 1HE2 GLN 16 -6.588 1.759 -2.361 108 2HE2 GLN 16 2HE2 GLN 16 -8.040 2.561 -2.840 109 H TYR 17 H TYR 17 -5.820 -0.592 -1.721 110 HA TYR 17 HA TYR 17 -5.911 1.751 -0.149 111 1HB TYR 17 2HB TYR 17 -7.409 0.364 1.377 112 2HB TYR 17 1HB TYR 17 -7.960 0.602 -0.275 113 HD1 TYR 17 1HD TYR 17 -8.222 -1.223 -1.767 114 HD2 TYR 17 2HD TYR 17 -6.519 -1.848 2.085 115 HE1 TYR 17 1HE TYR 17 -8.607 -3.650 -1.991 116 HE2 TYR 17 2HE TYR 17 -6.880 -4.279 1.890 117 HH TYR 17 HH TYR 17 -7.249 -5.943 0.225 118 H CYS 18 H CYS 18 -3.859 -0.955 -0.003 119 HA CYS 18 HA CYS 18 -3.327 -0.435 2.828 120 1HB CYS 18 2HB CYS 18 -2.203 -2.476 0.933 121 2HB CYS 18 1HB CYS 18 -1.746 -2.320 2.620 122 H CYS 19 H CYS 19 -2.154 0.487 -0.248 123 HA CYS 19 HA CYS 19 0.549 0.895 0.337 124 1HB CYS 19 2HB CYS 19 -0.254 0.992 -1.942 125 2HB CYS 19 1HB CYS 19 -1.183 2.451 -1.587 126 HA PRO 20 HA PRO 20 -0.067 4.270 3.178 127 1HB PRO 20 2HB PRO 20 2.457 4.635 3.978 128 2HB PRO 20 1HB PRO 20 1.548 3.192 4.440 129 1HG PRO 20 2HG PRO 20 3.575 3.527 2.256 130 2HG PRO 20 1HG PRO 20 3.415 2.210 3.434 131 1HD PRO 20 2HD PRO 20 2.464 2.081 0.857 132 2HD PRO 20 1HD PRO 20 1.785 1.159 2.224 133 H ALA 21 H ALA 21 -0.723 5.876 1.839 134 HA ALA 21 HA ALA 21 1.161 7.336 0.208 135 1HB ALA 21 1HB ALA 21 -0.725 8.751 -0.377 136 2HB ALA 21 2HB ALA 21 -1.729 7.923 0.814 137 3HB ALA 21 3HB ALA 21 -1.116 7.045 -0.589 138 H LYS 22 H LYS 22 2.498 8.681 1.099 139 HA LYS 22 HA LYS 22 2.146 9.813 3.698 140 1HB LYS 22 2HB LYS 22 4.185 10.375 1.525 141 2HB LYS 22 1HB LYS 22 4.204 11.194 3.079 142 1HG LYS 22 2HG LYS 22 4.029 8.475 3.694 143 2HG LYS 22 1HG LYS 22 5.198 8.591 2.375 144 1HD LYS 22 2HD LYS 22 5.523 10.643 4.437 145 2HD LYS 22 1HD LYS 22 5.753 8.995 5.024 146 1HE LYS 22 2HE LYS 22 7.233 8.741 2.895 147 2HE LYS 22 1HE LYS 22 7.286 10.503 2.947 148 1HZ LYS 22 1HZ LYS 22 7.894 10.006 5.447 149 2HZ LYS 22 2HZ LYS 22 9.075 10.027 4.236 150 3HZ LYS 22 3HZ LYS 22 8.453 8.552 4.783 151 H ARG 23 H ARG 23 0.037 10.892 3.454 152 HA ARG 23 HA ARG 23 0.268 13.656 3.089 153 1HB ARG 23 2HB ARG 23 0.419 12.984 0.682 154 2HB ARG 23 1HB ARG 23 -1.197 12.304 0.817 155 1HG ARG 23 2HG ARG 23 -2.171 14.426 1.152 156 2HG ARG 23 1HG ARG 23 -0.600 15.183 1.424 157 1HD ARG 23 2HD ARG 23 -0.097 14.337 -0.993 158 2HD ARG 23 1HD ARG 23 -1.853 14.271 -1.130 159 HE ARG 23 HE ARG 23 -0.843 16.775 -0.130 160 1HH1 ARG 23 1HH1 ARG 23 -1.658 14.944 -2.989 161 2HH1 ARG 23 2HH1 ARG 23 -1.889 16.350 -3.974 162 1HH2 ARG 23 1HH2 ARG 23 -1.140 18.622 -1.429 163 2HH2 ARG 23 2HH2 ARG 23 -1.591 18.436 -3.091 164 H LYS 24 H LYS 24 -1.832 14.774 3.275 165 HA LYS 24 HA LYS 24 -4.272 13.462 3.684 166 1HB LYS 24 2HB LYS 24 -4.466 13.579 6.160 167 2HB LYS 24 1HB LYS 24 -3.309 12.377 5.608 168 1HG LYS 24 2HG LYS 24 -2.404 15.117 6.419 169 2HG LYS 24 1HG LYS 24 -2.709 13.864 7.617 170 1HD LYS 24 2HD LYS 24 -1.188 12.508 5.828 171 2HD LYS 24 1HD LYS 24 -0.517 14.133 5.678 172 1HE LYS 24 2HE LYS 24 -0.906 13.557 8.442 173 2HE LYS 24 1HE LYS 24 -0.045 12.207 7.703 174 1HZ LYS 24 1HZ LYS 24 0.994 14.661 8.475 175 2HZ LYS 24 2HZ LYS 24 1.042 14.643 6.784 176 3HZ LYS 24 3HZ LYS 24 1.795 13.410 7.664 Start of MODEL 5 1 1H PRO 1 1HT PRO 1 -5.441 -8.974 2.728 2 2H PRO 1 2HT PRO 1 -6.694 -8.031 3.229 3 HA PRO 1 HA PRO 1 -5.774 -7.389 4.990 4 1HB PRO 1 2HB PRO 1 -3.933 -9.462 5.753 5 2HB PRO 1 1HB PRO 1 -5.423 -8.975 6.573 6 1HG PRO 1 2HG PRO 1 -4.964 -11.156 4.624 7 2HG PRO 1 1HG PRO 1 -6.162 -11.038 5.926 8 1HD PRO 1 2HD PRO 1 -6.894 -10.793 3.371 9 2HD PRO 1 1HD PRO 1 -7.631 -9.776 4.625 10 H CYS 2 H CYS 2 -3.776 -6.280 5.366 11 HA CYS 2 HA CYS 2 -2.152 -6.150 3.000 12 1HB CYS 2 2HB CYS 2 -1.614 -4.563 5.453 13 2HB CYS 2 1HB CYS 2 -1.383 -4.123 3.781 14 HA PRO 3 HA PRO 3 1.139 -8.607 4.866 15 1HB PRO 3 2HB PRO 3 2.607 -8.892 2.661 16 2HB PRO 3 1HB PRO 3 1.074 -9.755 2.852 17 1HG PRO 3 2HG PRO 3 1.655 -7.252 1.347 18 2HG PRO 3 1HG PRO 3 0.673 -8.635 0.850 19 1HD PRO 3 2HD PRO 3 -0.364 -6.299 1.879 20 2HD PRO 3 1HD PRO 3 -1.165 -7.876 1.992 21 HA PRO 4 HA PRO 4 4.076 -5.682 6.183 22 1HB PRO 4 2HB PRO 4 6.404 -7.235 5.945 23 2HB PRO 4 1HB PRO 4 5.330 -7.150 7.345 24 1HG PRO 4 2HG PRO 4 5.415 -9.154 5.138 25 2HG PRO 4 1HG PRO 4 5.087 -9.394 6.864 26 1HD PRO 4 2HD PRO 4 3.106 -9.414 5.078 27 2HD PRO 4 1HD PRO 4 2.885 -8.657 6.671 28 H VAL 5 H VAL 5 4.732 -7.292 3.081 29 HA VAL 5 HA VAL 5 6.837 -5.514 2.401 30 HB VAL 5 HB VAL 5 6.886 -6.423 0.244 31 1HG1 VAL 5 1HG1 VAL 5 7.339 -8.676 0.676 32 2HG1 VAL 5 2HG1 VAL 5 6.063 -8.786 1.888 33 3HG1 VAL 5 3HG1 VAL 5 7.536 -7.883 2.238 34 1HG2 VAL 5 1HG2 VAL 5 5.237 -7.488 -0.899 35 2HG2 VAL 5 2HG2 VAL 5 4.304 -6.353 0.071 36 3HG2 VAL 5 3HG2 VAL 5 4.434 -8.044 0.566 37 H CYS 6 H CYS 6 3.419 -5.320 2.267 38 HA CYS 6 HA CYS 6 3.339 -3.192 0.338 39 1HB CYS 6 2HB CYS 6 1.262 -4.183 2.299 40 2HB CYS 6 1HB CYS 6 0.978 -3.018 0.998 41 H VAL 7 H VAL 7 3.427 -3.486 3.831 42 HA VAL 7 HA VAL 7 2.801 -0.839 4.459 43 HB VAL 7 HB VAL 7 4.120 -3.082 5.984 44 1HG1 VAL 7 1HG1 VAL 7 3.270 -1.172 7.829 45 2HG1 VAL 7 2HG1 VAL 7 4.188 -0.266 6.626 46 3HG1 VAL 7 3HG1 VAL 7 4.933 -1.630 7.461 47 1HG2 VAL 7 1HG2 VAL 7 1.515 -2.520 5.314 48 2HG2 VAL 7 2HG2 VAL 7 1.655 -2.019 7.001 49 3HG2 VAL 7 3HG2 VAL 7 2.088 -3.667 6.527 50 H ALA 8 H ALA 8 5.797 -2.584 3.969 51 HA ALA 8 HA ALA 8 7.391 -0.212 4.396 52 1HB ALA 8 1HB ALA 8 8.067 -3.034 3.608 53 2HB ALA 8 2HB ALA 8 8.208 -2.316 5.213 54 3HB ALA 8 3HB ALA 8 9.264 -1.770 3.908 55 H GLN 9 H GLN 9 6.029 -1.888 1.619 56 HA GLN 9 HA GLN 9 7.226 0.160 -0.068 57 1HB GLN 9 2HB GLN 9 7.311 -2.685 -0.993 58 2HB GLN 9 1HB GLN 9 8.222 -1.302 -1.587 59 1HG GLN 9 2HG GLN 9 9.337 -1.297 0.714 60 2HG GLN 9 1HG GLN 9 8.657 -2.912 0.895 61 1HE2 GLN 9 1HE2 GLN 9 9.204 -4.480 -0.809 62 2HE2 GLN 9 2HE2 GLN 9 10.771 -4.396 -1.530 63 H CYS 10 H CYS 10 5.906 0.851 -1.668 64 HA CYS 10 HA CYS 10 3.272 -0.351 -1.843 65 1HB CYS 10 2HB CYS 10 3.724 2.163 -1.688 66 2HB CYS 10 1HB CYS 10 4.280 2.063 -3.355 67 H VAL 11 H VAL 11 4.225 -2.329 -2.845 68 HA VAL 11 HA VAL 11 5.231 -2.110 -5.517 69 HB VAL 11 HB VAL 11 4.830 -4.704 -5.399 70 1HG1 VAL 11 1HG1 VAL 11 6.982 -3.464 -5.441 71 2HG1 VAL 11 2HG1 VAL 11 7.027 -4.978 -4.538 72 3HG1 VAL 11 3HG1 VAL 11 6.934 -3.441 -3.678 73 1HG2 VAL 11 1HG2 VAL 11 4.650 -5.702 -3.329 74 2HG2 VAL 11 2HG2 VAL 11 3.561 -4.332 -3.176 75 3HG2 VAL 11 3HG2 VAL 11 5.174 -4.255 -2.462 76 HA PRO 12 HA PRO 12 1.504 -2.328 -7.730 77 1HB PRO 12 2HB PRO 12 1.995 -4.141 -9.726 78 2HB PRO 12 1HB PRO 12 2.598 -2.482 -9.709 79 1HG PRO 12 2HG PRO 12 4.005 -5.017 -9.071 80 2HG PRO 12 1HG PRO 12 4.632 -3.537 -9.811 81 1HD PRO 12 2HD PRO 12 5.036 -4.260 -7.190 82 2HD PRO 12 1HD PRO 12 5.117 -2.600 -7.776 83 H THR 13 H THR 13 2.604 -5.318 -6.388 84 HA THR 13 HA THR 13 0.196 -6.746 -7.044 85 HB THR 13 HB THR 13 1.207 -8.373 -5.269 86 HG1 THR 13 1HG THR 13 2.719 -6.619 -4.613 87 1HG2 THR 13 1HG2 THR 13 3.046 -9.044 -6.943 88 2HG2 THR 13 2HG2 THR 13 2.334 -7.796 -7.967 89 3HG2 THR 13 3HG2 THR 13 1.354 -9.159 -7.427 90 H CYS 14 H CYS 14 1.290 -4.668 -4.576 91 HA CYS 14 HA CYS 14 -0.356 -5.553 -2.473 92 1HB CYS 14 2HB CYS 14 1.120 -3.031 -3.102 93 2HB CYS 14 1HB CYS 14 0.118 -3.161 -1.661 94 HA PRO 15 HA PRO 15 -4.347 -3.763 -3.418 95 1HB PRO 15 2HB PRO 15 -5.294 -3.565 -0.919 96 2HB PRO 15 1HB PRO 15 -5.070 -5.127 -1.674 97 1HG PRO 15 2HG PRO 15 -3.263 -3.664 0.168 98 2HG PRO 15 1HG PRO 15 -3.851 -5.327 0.310 99 1HD PRO 15 2HD PRO 15 -1.451 -4.800 -0.683 100 2HD PRO 15 1HD PRO 15 -2.459 -6.074 -1.394 101 H GLN 16 H GLN 16 -4.846 -1.762 -3.824 102 HA GLN 16 HA GLN 16 -3.212 0.376 -3.327 103 1HB GLN 16 2HB GLN 16 -4.890 0.258 -5.139 104 2HB GLN 16 1HB GLN 16 -6.161 0.530 -3.972 105 1HG GLN 16 2HG GLN 16 -5.867 2.707 -4.031 106 2HG GLN 16 1HG GLN 16 -4.133 2.548 -3.752 107 1HE2 GLN 16 1HE2 GLN 16 -3.337 1.190 -5.983 108 2HE2 GLN 16 2HE2 GLN 16 -3.588 2.166 -7.387 109 H TYR 17 H TYR 17 -5.979 -0.686 -1.483 110 HA TYR 17 HA TYR 17 -6.066 1.654 0.090 111 1HB TYR 17 2HB TYR 17 -7.514 0.242 1.637 112 2HB TYR 17 1HB TYR 17 -8.097 0.461 -0.005 113 HD1 TYR 17 1HD TYR 17 -8.395 -1.381 -1.464 114 HD2 TYR 17 2HD TYR 17 -6.523 -1.953 2.318 115 HE1 TYR 17 1HE TYR 17 -8.726 -3.812 -1.671 116 HE2 TYR 17 2HE TYR 17 -6.833 -4.394 2.136 117 HH TYR 17 HH TYR 17 -7.862 -5.868 -0.825 118 H CYS 18 H CYS 18 -3.954 -1.007 0.177 119 HA CYS 18 HA CYS 18 -3.369 -0.491 3.003 120 1HB CYS 18 2HB CYS 18 -2.260 -2.516 1.081 121 2HB CYS 18 1HB CYS 18 -1.803 -2.377 2.773 122 H CYS 19 H CYS 19 -2.273 0.480 -0.080 123 HA CYS 19 HA CYS 19 0.456 0.868 0.480 124 1HB CYS 19 2HB CYS 19 -0.316 0.923 -1.806 125 2HB CYS 19 1HB CYS 19 -1.273 2.371 -1.487 126 HA PRO 20 HA PRO 20 -0.093 4.362 3.193 127 1HB PRO 20 2HB PRO 20 2.446 4.743 3.930 128 2HB PRO 20 1HB PRO 20 1.542 3.325 4.470 129 1HG PRO 20 2HG PRO 20 3.527 3.561 2.235 130 2HG PRO 20 1HG PRO 20 3.387 2.295 3.469 131 1HD PRO 20 2HD PRO 20 2.387 2.062 0.920 132 2HD PRO 20 1HD PRO 20 1.735 1.195 2.336 133 H ALA 21 H ALA 21 -0.751 5.910 1.773 134 HA ALA 21 HA ALA 21 0.967 7.154 -0.116 135 1HB ALA 21 1HB ALA 21 -1.535 7.122 -0.265 136 2HB ALA 21 2HB ALA 21 -0.781 8.691 -0.545 137 3HB ALA 21 3HB ALA 21 -1.555 8.350 1.002 138 H LYS 22 H LYS 22 2.620 8.244 0.365 139 HA LYS 22 HA LYS 22 3.336 9.377 2.789 140 1HB LYS 22 2HB LYS 22 5.085 10.588 1.487 141 2HB LYS 22 1HB LYS 22 4.975 8.885 1.066 142 1HG LYS 22 2HG LYS 22 3.396 10.792 -0.564 143 2HG LYS 22 1HG LYS 22 5.149 10.795 -0.760 144 1HD LYS 22 2HD LYS 22 4.267 8.093 -0.716 145 2HD LYS 22 1HD LYS 22 3.238 8.985 -1.837 146 1HE LYS 22 2HE LYS 22 4.937 9.397 -3.283 147 2HE LYS 22 1HE LYS 22 6.147 9.493 -2.003 148 1HZ LYS 22 1HZ LYS 22 5.764 6.983 -1.802 149 2HZ LYS 22 2HZ LYS 22 6.670 7.545 -3.115 150 3HZ LYS 22 3HZ LYS 22 5.054 7.096 -3.333 151 H ARG 23 H ARG 23 1.445 10.589 3.543 152 HA ARG 23 HA ARG 23 1.681 13.353 3.106 153 1HB ARG 23 2HB ARG 23 0.621 12.809 0.950 154 2HB ARG 23 1HB ARG 23 -0.743 12.102 1.805 155 1HG ARG 23 2HG ARG 23 -0.234 14.792 2.711 156 2HG ARG 23 1HG ARG 23 -0.458 14.737 0.962 157 1HD ARG 23 2HD ARG 23 -2.369 13.125 2.502 158 2HD ARG 23 1HD ARG 23 -2.474 14.863 2.784 159 HE ARG 23 HE ARG 23 -3.384 13.485 0.504 160 1HH1 ARG 23 1HH1 ARG 23 -1.715 16.418 1.399 161 2HH1 ARG 23 2HH1 ARG 23 -2.248 17.294 0.005 162 1HH2 ARG 23 1HH2 ARG 23 -4.086 14.638 -1.331 163 2HH2 ARG 23 2HH2 ARG 23 -3.594 16.285 -1.545 164 H LYS 24 H LYS 24 0.461 14.573 4.520 165 HA LYS 24 HA LYS 24 -1.795 13.798 5.951 166 1HB LYS 24 2HB LYS 24 -1.016 13.024 8.084 167 2HB LYS 24 1HB LYS 24 -0.326 11.974 6.858 168 1HG LYS 24 2HG LYS 24 1.818 12.783 7.190 169 2HG LYS 24 1HG LYS 24 1.248 14.298 7.896 170 1HD LYS 24 2HD LYS 24 0.246 12.512 9.661 171 2HD LYS 24 1HD LYS 24 1.713 11.675 9.148 172 1HE LYS 24 2HE LYS 24 2.172 14.497 9.663 173 2HE LYS 24 1HE LYS 24 1.529 13.657 11.074 174 1HZ LYS 24 1HZ LYS 24 4.003 13.046 9.564 175 2HZ LYS 24 2HZ LYS 24 3.317 11.955 10.659 176 3HZ LYS 24 3HZ LYS 24 3.853 13.466 11.196 Start of MODEL 6 1 1H PRO 1 1HT PRO 1 -5.890 -7.931 2.581 2 2H PRO 1 2HT PRO 1 -7.122 -7.893 3.672 3 HA PRO 1 HA PRO 1 -5.782 -7.233 5.061 4 1HB PRO 1 2HB PRO 1 -4.052 -9.563 5.297 5 2HB PRO 1 1HB PRO 1 -5.323 -9.011 6.398 6 1HG PRO 1 2HG PRO 1 -5.540 -11.253 4.868 7 2HG PRO 1 1HG PRO 1 -6.929 -10.286 5.390 8 1HD PRO 1 2HD PRO 1 -5.507 -10.285 2.744 9 2HD PRO 1 1HD PRO 1 -7.250 -10.263 3.080 10 H CYS 2 H CYS 2 -3.687 -6.298 5.480 11 HA CYS 2 HA CYS 2 -2.128 -6.077 3.048 12 1HB CYS 2 2HB CYS 2 -1.621 -4.487 5.502 13 2HB CYS 2 1HB CYS 2 -1.364 -4.054 3.837 14 HA PRO 3 HA PRO 3 1.163 -8.531 4.936 15 1HB PRO 3 2HB PRO 3 2.620 -8.837 2.724 16 2HB PRO 3 1HB PRO 3 1.095 -9.707 2.942 17 1HG PRO 3 2HG PRO 3 1.646 -7.228 1.389 18 2HG PRO 3 1HG PRO 3 0.664 -8.622 0.927 19 1HD PRO 3 2HD PRO 3 -0.368 -6.271 1.924 20 2HD PRO 3 1HD PRO 3 -1.161 -7.849 2.072 21 HA PRO 4 HA PRO 4 4.113 -5.585 6.181 22 1HB PRO 4 2HB PRO 4 6.444 -7.136 5.939 23 2HB PRO 4 1HB PRO 4 5.390 -7.026 7.351 24 1HG PRO 4 2HG PRO 4 5.456 -9.076 5.188 25 2HG PRO 4 1HG PRO 4 5.136 -9.277 6.921 26 1HD PRO 4 2HD PRO 4 3.149 -9.335 5.136 27 2HD PRO 4 1HD PRO 4 2.931 -8.559 6.721 28 H VAL 5 H VAL 5 4.741 -7.247 3.100 29 HA VAL 5 HA VAL 5 6.836 -5.478 2.360 30 HB VAL 5 HB VAL 5 6.866 -6.433 0.228 31 1HG1 VAL 5 1HG1 VAL 5 6.770 -8.093 2.564 32 2HG1 VAL 5 2HG1 VAL 5 7.829 -8.208 1.159 33 3HG1 VAL 5 3HG1 VAL 5 6.258 -9.008 1.147 34 1HG2 VAL 5 1HG2 VAL 5 4.293 -6.342 0.049 35 2HG2 VAL 5 2HG2 VAL 5 4.392 -8.016 0.606 36 3HG2 VAL 5 3HG2 VAL 5 5.202 -7.532 -0.878 37 H CYS 6 H CYS 6 3.417 -5.294 2.256 38 HA CYS 6 HA CYS 6 3.324 -3.193 0.299 39 1HB CYS 6 2HB CYS 6 1.250 -4.156 2.275 40 2HB CYS 6 1HB CYS 6 0.967 -3.011 0.956 41 H VAL 7 H VAL 7 3.448 -3.441 3.795 42 HA VAL 7 HA VAL 7 2.813 -0.785 4.385 43 HB VAL 7 HB VAL 7 4.150 -3.000 5.936 44 1HG1 VAL 7 1HG1 VAL 7 5.065 -1.415 7.242 45 2HG1 VAL 7 2HG1 VAL 7 3.420 -1.209 7.843 46 3HG1 VAL 7 3HG1 VAL 7 4.041 -0.137 6.587 47 1HG2 VAL 7 1HG2 VAL 7 1.698 -1.919 6.960 48 2HG2 VAL 7 2HG2 VAL 7 2.125 -3.575 6.510 49 3HG2 VAL 7 3HG2 VAL 7 1.540 -2.449 5.284 50 H ALA 8 H ALA 8 5.813 -2.527 3.907 51 HA ALA 8 HA ALA 8 7.406 -0.146 4.281 52 1HB ALA 8 1HB ALA 8 8.047 -2.994 3.568 53 2HB ALA 8 2HB ALA 8 8.270 -2.199 5.127 54 3HB ALA 8 3HB ALA 8 9.270 -1.733 3.748 55 H GLN 9 H GLN 9 6.022 -1.871 1.544 56 HA GLN 9 HA GLN 9 7.211 0.144 -0.188 57 1HB GLN 9 2HB GLN 9 7.262 -2.708 -1.093 58 2HB GLN 9 1HB GLN 9 8.199 -1.342 -1.681 59 1HG GLN 9 2HG GLN 9 9.316 -1.358 0.614 60 2HG GLN 9 1HG GLN 9 8.598 -2.955 0.808 61 1HE2 GLN 9 1HE2 GLN 9 9.107 -4.555 -0.868 62 2HE2 GLN 9 2HE2 GLN 9 10.672 -4.515 -1.599 63 H CYS 10 H CYS 10 5.859 0.839 -1.754 64 HA CYS 10 HA CYS 10 3.222 -0.362 -1.895 65 1HB CYS 10 2HB CYS 10 3.696 2.155 -1.760 66 2HB CYS 10 1HB CYS 10 4.216 2.038 -3.438 67 H VAL 11 H VAL 11 4.156 -2.353 -2.894 68 HA VAL 11 HA VAL 11 5.157 -2.134 -5.568 69 HB VAL 11 HB VAL 11 4.799 -4.729 -5.457 70 1HG1 VAL 11 1HG1 VAL 11 6.881 -3.305 -3.823 71 2HG1 VAL 11 2HG1 VAL 11 6.940 -3.592 -5.563 72 3HG1 VAL 11 3HG1 VAL 11 6.999 -4.952 -4.441 73 1HG2 VAL 11 1HG2 VAL 11 3.507 -4.461 -3.271 74 2HG2 VAL 11 2HG2 VAL 11 5.080 -4.216 -2.509 75 3HG2 VAL 11 3HG2 VAL 11 4.725 -5.726 -3.350 76 HA PRO 12 HA PRO 12 1.495 -2.481 -7.885 77 1HB PRO 12 2HB PRO 12 2.504 -4.752 -9.457 78 2HB PRO 12 1HB PRO 12 2.144 -3.102 -9.973 79 1HG PRO 12 2HG PRO 12 4.670 -4.014 -9.767 80 2HG PRO 12 1HG PRO 12 4.243 -2.328 -9.419 81 1HD PRO 12 2HD PRO 12 4.775 -4.581 -7.516 82 2HD PRO 12 1HD PRO 12 5.260 -2.876 -7.409 83 H THR 13 H THR 13 2.582 -5.455 -6.434 84 HA THR 13 HA THR 13 0.149 -6.856 -7.018 85 HB THR 13 HB THR 13 1.137 -8.473 -5.248 86 HG1 THR 13 1HG THR 13 3.030 -8.000 -4.470 87 1HG2 THR 13 1HG2 THR 13 1.982 -7.970 -7.989 88 2HG2 THR 13 2HG2 THR 13 1.543 -9.479 -7.188 89 3HG2 THR 13 3HG2 THR 13 3.174 -8.830 -7.016 90 H CYS 14 H CYS 14 1.260 -4.716 -4.612 91 HA CYS 14 HA CYS 14 -0.391 -5.567 -2.492 92 1HB CYS 14 2HB CYS 14 1.107 -3.061 -3.133 93 2HB CYS 14 1HB CYS 14 0.103 -3.182 -1.692 94 HA PRO 15 HA PRO 15 -4.358 -3.753 -3.479 95 1HB PRO 15 2HB PRO 15 -5.332 -3.565 -0.987 96 2HB PRO 15 1HB PRO 15 -5.109 -5.123 -1.752 97 1HG PRO 15 2HG PRO 15 -3.313 -3.686 0.123 98 2HG PRO 15 1HG PRO 15 -3.912 -5.347 0.242 99 1HD PRO 15 2HD PRO 15 -1.497 -4.823 -0.722 100 2HD PRO 15 1HD PRO 15 -2.505 -6.087 -1.450 101 H GLN 16 H GLN 16 -4.842 -1.744 -3.878 102 HA GLN 16 HA GLN 16 -3.204 0.383 -3.354 103 1HB GLN 16 2HB GLN 16 -4.865 0.280 -5.179 104 2HB GLN 16 1HB GLN 16 -6.146 0.545 -4.021 105 1HG GLN 16 2HG GLN 16 -5.786 2.623 -4.946 106 2HG GLN 16 1HG GLN 16 -4.925 2.684 -3.411 107 1HE2 GLN 16 1HE2 GLN 16 -4.108 1.372 -6.609 108 2HE2 GLN 16 2HE2 GLN 16 -2.629 2.248 -6.778 109 H TYR 17 H TYR 17 -5.984 -0.684 -1.533 110 HA TYR 17 HA TYR 17 -6.070 1.654 0.047 111 1HB TYR 17 2HB TYR 17 -7.539 0.254 1.578 112 2HB TYR 17 1HB TYR 17 -8.107 0.470 -0.071 113 HD1 TYR 17 1HD TYR 17 -8.404 -1.375 -1.524 114 HD2 TYR 17 2HD TYR 17 -6.558 -1.941 2.271 115 HE1 TYR 17 1HE TYR 17 -8.745 -3.806 -1.723 116 HE2 TYR 17 2HE TYR 17 -6.877 -4.380 2.097 117 HH TYR 17 HH TYR 17 -8.936 -5.790 -0.087 118 H CYS 18 H CYS 18 -3.978 -1.023 0.133 119 HA CYS 18 HA CYS 18 -3.407 -0.528 2.964 120 1HB CYS 18 2HB CYS 18 -2.302 -2.540 1.027 121 2HB CYS 18 1HB CYS 18 -1.803 -2.393 2.703 122 H CYS 19 H CYS 19 -2.281 0.445 -0.118 123 HA CYS 19 HA CYS 19 0.432 0.862 0.469 124 1HB CYS 19 2HB CYS 19 -0.359 0.936 -1.818 125 2HB CYS 19 1HB CYS 19 -1.296 2.391 -1.476 126 HA PRO 20 HA PRO 20 -0.198 4.289 3.246 127 1HB PRO 20 2HB PRO 20 2.323 4.702 4.016 128 2HB PRO 20 1HB PRO 20 1.440 3.253 4.514 129 1HG PRO 20 2HG PRO 20 3.443 3.578 2.305 130 2HG PRO 20 1HG PRO 20 3.316 2.282 3.510 131 1HD PRO 20 2HD PRO 20 2.344 2.082 0.946 132 2HD PRO 20 1HD PRO 20 1.691 1.181 2.338 133 H ALA 21 H ALA 21 -0.878 5.838 1.834 134 HA ALA 21 HA ALA 21 0.927 7.225 0.096 135 1HB ALA 21 1HB ALA 21 -1.896 7.851 0.929 136 2HB ALA 21 2HB ALA 21 -1.360 7.105 -0.579 137 3HB ALA 21 3HB ALA 21 -0.969 8.792 -0.240 138 H LYS 22 H LYS 22 2.403 8.499 0.815 139 HA LYS 22 HA LYS 22 2.575 9.586 3.396 140 1HB LYS 22 2HB LYS 22 4.005 10.292 0.826 141 2HB LYS 22 1HB LYS 22 4.295 11.200 2.301 142 1HG LYS 22 2HG LYS 22 4.469 8.309 2.678 143 2HG LYS 22 1HG LYS 22 5.640 8.952 1.525 144 1HD LYS 22 2HD LYS 22 5.196 10.042 4.303 145 2HD LYS 22 1HD LYS 22 6.464 8.894 3.870 146 1HE LYS 22 2HE LYS 22 7.751 10.646 3.400 147 2HE LYS 22 1HE LYS 22 6.712 10.937 2.005 148 1HZ LYS 22 1HZ LYS 22 6.615 12.940 3.081 149 2HZ LYS 22 2HZ LYS 22 6.715 12.261 4.626 150 3HZ LYS 22 3HZ LYS 22 5.267 12.173 3.757 151 H ARG 23 H ARG 23 0.426 10.523 3.747 152 HA ARG 23 HA ARG 23 0.398 13.308 3.552 153 1HB ARG 23 2HB ARG 23 -0.033 12.678 1.116 154 2HB ARG 23 1HB ARG 23 -1.588 12.062 1.655 155 1HG ARG 23 2HG ARG 23 -0.997 14.779 2.557 156 2HG ARG 23 1HG ARG 23 -1.115 14.599 0.805 157 1HD ARG 23 2HD ARG 23 -3.311 13.632 1.008 158 2HD ARG 23 1HD ARG 23 -3.186 13.619 2.764 159 HE ARG 23 HE ARG 23 -3.249 16.049 2.696 160 1HH1 ARG 23 1HH1 ARG 23 -4.267 14.378 -0.208 161 2HH1 ARG 23 2HH1 ARG 23 -5.205 15.712 -0.786 162 1HH2 ARG 23 1HH2 ARG 23 -4.482 17.792 1.923 163 2HH2 ARG 23 2HH2 ARG 23 -5.327 17.645 0.419 164 H LYS 24 H LYS 24 -1.588 14.255 4.393 165 HA LYS 24 HA LYS 24 -3.868 12.892 5.193 166 1HB LYS 24 2HB LYS 24 -3.583 12.096 7.369 167 2HB LYS 24 1HB LYS 24 -2.121 11.550 6.571 168 1HG LYS 24 2HG LYS 24 -1.086 12.409 8.354 169 2HG LYS 24 1HG LYS 24 -1.332 13.967 7.566 170 1HD LYS 24 2HD LYS 24 -2.213 14.398 9.640 171 2HD LYS 24 1HD LYS 24 -3.656 13.861 8.779 172 1HE LYS 24 2HE LYS 24 -3.834 12.580 10.659 173 2HE LYS 24 1HE LYS 24 -2.869 11.498 9.656 174 1HZ LYS 24 1HZ LYS 24 -1.496 13.423 11.396 175 2HZ LYS 24 2HZ LYS 24 -0.991 11.894 10.875 176 3HZ LYS 24 3HZ LYS 24 -2.160 12.030 12.090 Start of MODEL 7 1 1H PRO 1 1HT PRO 1 -5.714 -8.452 2.657 2 2H PRO 1 2HT PRO 1 -7.002 -8.113 3.621 3 HA PRO 1 HA PRO 1 -5.763 -7.326 5.033 4 1HB PRO 1 2HB PRO 1 -4.027 -9.654 5.533 5 2HB PRO 1 1HB PRO 1 -5.179 -8.861 6.619 6 1HG PRO 1 2HG PRO 1 -5.673 -11.275 5.547 7 2HG PRO 1 1HG PRO 1 -6.962 -10.094 5.851 8 1HD PRO 1 2HD PRO 1 -5.565 -10.750 3.272 9 2HD PRO 1 1HD PRO 1 -7.298 -10.528 3.580 10 H CYS 2 H CYS 2 -3.737 -6.281 5.379 11 HA CYS 2 HA CYS 2 -2.144 -6.161 2.987 12 1HB CYS 2 2HB CYS 2 -1.571 -4.578 5.437 13 2HB CYS 2 1HB CYS 2 -1.351 -4.138 3.763 14 HA PRO 3 HA PRO 3 1.167 -8.625 4.808 15 1HB PRO 3 2HB PRO 3 2.630 -8.875 2.596 16 2HB PRO 3 1HB PRO 3 1.098 -9.741 2.774 17 1HG PRO 3 2HG PRO 3 1.677 -7.213 1.311 18 2HG PRO 3 1HG PRO 3 0.694 -8.588 0.791 19 1HD PRO 3 2HD PRO 3 -0.341 -6.268 1.860 20 2HD PRO 3 1HD PRO 3 -1.146 -7.845 1.949 21 HA PRO 4 HA PRO 4 4.075 -5.676 6.155 22 1HB PRO 4 2HB PRO 4 6.412 -7.219 5.932 23 2HB PRO 4 1HB PRO 4 5.337 -7.126 7.329 24 1HG PRO 4 2HG PRO 4 5.441 -9.153 5.146 25 2HG PRO 4 1HG PRO 4 5.090 -9.370 6.871 26 1HD PRO 4 2HD PRO 4 3.137 -9.414 5.047 27 2HD PRO 4 1HD PRO 4 2.886 -8.654 6.634 28 H VAL 5 H VAL 5 4.750 -7.281 3.061 29 HA VAL 5 HA VAL 5 6.861 -5.507 2.389 30 HB VAL 5 HB VAL 5 6.923 -6.427 0.238 31 1HG1 VAL 5 1HG1 VAL 5 6.795 -8.123 2.540 32 2HG1 VAL 5 2HG1 VAL 5 7.858 -8.231 1.136 33 3HG1 VAL 5 3HG1 VAL 5 6.278 -9.012 1.108 34 1HG2 VAL 5 1HG2 VAL 5 5.274 -7.474 -0.927 35 2HG2 VAL 5 2HG2 VAL 5 4.340 -6.330 0.032 36 3HG2 VAL 5 3HG2 VAL 5 4.447 -8.022 0.528 37 H CYS 6 H CYS 6 3.450 -5.308 2.244 38 HA CYS 6 HA CYS 6 3.367 -3.180 0.320 39 1HB CYS 6 2HB CYS 6 1.303 -4.183 2.281 40 2HB CYS 6 1HB CYS 6 1.012 -2.996 1.004 41 H VAL 7 H VAL 7 3.399 -3.482 3.817 42 HA VAL 7 HA VAL 7 2.813 -0.830 4.439 43 HB VAL 7 HB VAL 7 4.124 -3.078 5.965 44 1HG1 VAL 7 1HG1 VAL 7 4.180 -0.262 6.614 45 2HG1 VAL 7 2HG1 VAL 7 4.926 -1.624 7.451 46 3HG1 VAL 7 3HG1 VAL 7 3.260 -1.174 7.811 47 1HG2 VAL 7 1HG2 VAL 7 1.652 -2.025 6.972 48 2HG2 VAL 7 2HG2 VAL 7 2.090 -3.670 6.492 49 3HG2 VAL 7 3HG2 VAL 7 1.522 -2.518 5.280 50 H ALA 8 H ALA 8 5.776 -2.597 3.896 51 HA ALA 8 HA ALA 8 7.408 -0.255 4.351 52 1HB ALA 8 1HB ALA 8 9.164 -1.706 4.446 53 2HB ALA 8 2HB ALA 8 8.507 -2.738 3.174 54 3HB ALA 8 3HB ALA 8 7.852 -2.830 4.809 55 H GLN 9 H GLN 9 6.022 -1.888 1.554 56 HA GLN 9 HA GLN 9 7.183 0.199 -0.106 57 1HB GLN 9 2HB GLN 9 7.348 -2.710 -0.875 58 2HB GLN 9 1HB GLN 9 7.938 -1.344 -1.805 59 1HG GLN 9 2HG GLN 9 9.749 -1.022 -0.455 60 2HG GLN 9 1HG GLN 9 8.988 -1.787 0.936 61 1HE2 GLN 9 1HE2 GLN 9 8.215 -4.180 0.039 62 2HE2 GLN 9 2HE2 GLN 9 9.569 -5.114 -0.488 63 H CYS 10 H CYS 10 5.890 0.858 -1.745 64 HA CYS 10 HA CYS 10 3.236 -0.310 -1.886 65 1HB CYS 10 2HB CYS 10 3.734 2.207 -1.763 66 2HB CYS 10 1HB CYS 10 4.259 2.072 -3.438 67 H VAL 11 H VAL 11 4.291 -2.303 -2.857 68 HA VAL 11 HA VAL 11 5.266 -2.091 -5.533 69 HB VAL 11 HB VAL 11 4.874 -4.692 -5.417 70 1HG1 VAL 11 1HG1 VAL 11 7.090 -4.937 -4.550 71 2HG1 VAL 11 2HG1 VAL 11 6.996 -3.362 -3.762 72 3HG1 VAL 11 3HG1 VAL 11 7.014 -3.469 -5.522 73 1HG2 VAL 11 1HG2 VAL 11 4.730 -5.680 -3.337 74 2HG2 VAL 11 2HG2 VAL 11 3.646 -4.307 -3.163 75 3HG2 VAL 11 3HG2 VAL 11 5.273 -4.231 -2.487 76 HA PRO 12 HA PRO 12 1.622 -2.445 -7.874 77 1HB PRO 12 2HB PRO 12 2.590 -4.718 -9.448 78 2HB PRO 12 1HB PRO 12 2.305 -3.050 -9.948 79 1HG PRO 12 2HG PRO 12 4.789 -4.093 -9.701 80 2HG PRO 12 1HG PRO 12 4.434 -2.382 -9.401 81 1HD PRO 12 2HD PRO 12 4.861 -4.603 -7.442 82 2HD PRO 12 1HD PRO 12 5.387 -2.909 -7.359 83 H THR 13 H THR 13 2.644 -5.390 -6.351 84 HA THR 13 HA THR 13 0.206 -6.778 -6.970 85 HB THR 13 HB THR 13 1.147 -8.415 -5.216 86 HG1 THR 13 1HG THR 13 2.705 -7.472 -4.148 87 1HG2 THR 13 1HG2 THR 13 2.264 -9.552 -6.800 88 2HG2 THR 13 2HG2 THR 13 3.175 -8.137 -7.332 89 3HG2 THR 13 3HG2 THR 13 1.503 -8.356 -7.848 90 H CYS 14 H CYS 14 1.329 -4.635 -4.569 91 HA CYS 14 HA CYS 14 -0.313 -5.472 -2.449 92 1HB CYS 14 2HB CYS 14 1.145 -2.955 -3.119 93 2HB CYS 14 1HB CYS 14 0.156 -3.083 -1.665 94 HA PRO 15 HA PRO 15 -4.320 -3.730 -3.404 95 1HB PRO 15 2HB PRO 15 -5.267 -3.551 -0.901 96 2HB PRO 15 1HB PRO 15 -5.031 -5.107 -1.663 97 1HG PRO 15 2HG PRO 15 -3.229 -3.638 0.182 98 2HG PRO 15 1HG PRO 15 -3.804 -5.306 0.318 99 1HD PRO 15 2HD PRO 15 -1.409 -4.755 -0.679 100 2HD PRO 15 1HD PRO 15 -2.409 -6.034 -1.392 101 H GLN 16 H GLN 16 -4.834 -1.735 -3.800 102 HA GLN 16 HA GLN 16 -3.212 0.408 -3.304 103 1HB GLN 16 2HB GLN 16 -4.902 0.288 -5.110 104 2HB GLN 16 1HB GLN 16 -6.166 0.558 -3.935 105 1HG GLN 16 2HG GLN 16 -5.863 2.735 -3.967 106 2HG GLN 16 1HG GLN 16 -4.121 2.571 -3.745 107 1HE2 GLN 16 1HE2 GLN 16 -3.454 1.175 -6.036 108 2HE2 GLN 16 2HE2 GLN 16 -3.733 2.177 -7.415 109 H TYR 17 H TYR 17 -5.966 -0.669 -1.452 110 HA TYR 17 HA TYR 17 -6.046 1.664 0.134 111 1HB TYR 17 2HB TYR 17 -7.484 0.241 1.682 112 2HB TYR 17 1HB TYR 17 -8.080 0.475 0.046 113 HD1 TYR 17 1HD TYR 17 -8.384 -1.357 -1.427 114 HD2 TYR 17 2HD TYR 17 -6.498 -1.956 2.339 115 HE1 TYR 17 1HE TYR 17 -8.724 -3.785 -1.647 116 HE2 TYR 17 2HE TYR 17 -6.816 -4.391 2.146 117 HH TYR 17 HH TYR 17 -8.805 -5.848 0.493 118 H CYS 18 H CYS 18 -3.932 -0.991 0.200 119 HA CYS 18 HA CYS 18 -3.337 -0.479 3.024 120 1HB CYS 18 2HB CYS 18 -2.225 -2.496 1.096 121 2HB CYS 18 1HB CYS 18 -1.772 -2.364 2.789 122 H CYS 19 H CYS 19 -2.245 0.467 -0.079 123 HA CYS 19 HA CYS 19 0.478 0.872 0.478 124 1HB CYS 19 2HB CYS 19 -0.286 0.925 -1.807 125 2HB CYS 19 1HB CYS 19 -1.262 2.361 -1.492 126 HA PRO 20 HA PRO 20 -0.102 4.340 3.212 127 1HB PRO 20 2HB PRO 20 2.441 4.761 3.931 128 2HB PRO 20 1HB PRO 20 1.557 3.332 4.481 129 1HG PRO 20 2HG PRO 20 3.529 3.588 2.238 130 2HG PRO 20 1HG PRO 20 3.404 2.320 3.471 131 1HD PRO 20 2HD PRO 20 2.401 2.080 0.923 132 2HD PRO 20 1HD PRO 20 1.759 1.207 2.338 133 H ALA 21 H ALA 21 -0.796 5.875 1.790 134 HA ALA 21 HA ALA 21 1.001 7.220 -0.004 135 1HB ALA 21 1HB ALA 21 -1.419 6.936 -0.480 136 2HB ALA 21 2HB ALA 21 -0.844 8.599 -0.611 137 3HB ALA 21 3HB ALA 21 -1.760 8.091 0.809 138 H LYS 22 H LYS 22 2.467 8.504 0.700 139 HA LYS 22 HA LYS 22 2.099 10.025 3.165 140 1HB LYS 22 2HB LYS 22 4.474 9.126 1.661 141 2HB LYS 22 1HB LYS 22 4.601 10.769 2.262 142 1HG LYS 22 2HG LYS 22 3.602 8.768 4.179 143 2HG LYS 22 1HG LYS 22 5.287 8.614 3.682 144 1HD LYS 22 2HD LYS 22 5.738 10.149 5.245 145 2HD LYS 22 1HD LYS 22 5.007 11.319 4.146 146 1HE LYS 22 2HE LYS 22 2.855 11.026 5.217 147 2HE LYS 22 1HE LYS 22 3.518 9.771 6.262 148 1HZ LYS 22 1HZ LYS 22 5.130 12.006 6.577 149 2HZ LYS 22 2HZ LYS 22 4.040 11.359 7.696 150 3HZ LYS 22 3HZ LYS 22 3.535 12.570 6.630 151 H ARG 23 H ARG 23 0.506 11.576 2.462 152 HA ARG 23 HA ARG 23 1.596 13.999 1.555 153 1HB ARG 23 2HB ARG 23 1.598 12.656 -0.602 154 2HB ARG 23 1HB ARG 23 -0.158 12.701 -0.525 155 1HG ARG 23 2HG ARG 23 -0.268 14.863 -1.144 156 2HG ARG 23 1HG ARG 23 1.203 15.299 -0.274 157 1HD ARG 23 2HD ARG 23 2.547 14.245 -2.030 158 2HD ARG 23 1HD ARG 23 1.075 13.798 -2.887 159 HE ARG 23 HE ARG 23 1.123 15.866 -3.814 160 1HH1 ARG 23 1HH1 ARG 23 2.705 16.078 -0.705 161 2HH1 ARG 23 2HH1 ARG 23 3.011 17.776 -0.841 162 1HH2 ARG 23 1HH2 ARG 23 1.556 18.093 -4.000 163 2HH2 ARG 23 2HH2 ARG 23 2.367 18.917 -2.710 164 H LYS 24 H LYS 24 -0.056 15.690 1.253 165 HA LYS 24 HA LYS 24 -2.801 15.212 1.695 166 1HB LYS 24 2HB LYS 24 -2.572 16.555 4.046 167 2HB LYS 24 1HB LYS 24 -2.768 14.818 3.915 168 1HG LYS 24 2HG LYS 24 -0.998 15.540 5.494 169 2HG LYS 24 1HG LYS 24 -0.429 14.453 4.229 170 1HD LYS 24 2HD LYS 24 1.205 15.978 3.970 171 2HD LYS 24 1HD LYS 24 -0.013 16.890 3.082 172 1HE LYS 24 2HE LYS 24 0.171 17.182 6.046 173 2HE LYS 24 1HE LYS 24 1.335 18.017 5.020 174 1HZ LYS 24 1HZ LYS 24 -0.255 19.383 4.167 175 2HZ LYS 24 2HZ LYS 24 -0.923 19.128 5.700 176 3HZ LYS 24 3HZ LYS 24 -1.511 18.266 4.369 Start of MODEL 8 1 1H PRO 1 1HT PRO 1 -5.686 -8.255 2.653 2 2H PRO 1 2HT PRO 1 -6.957 -7.989 3.663 3 HA PRO 1 HA PRO 1 -5.686 -7.236 5.063 4 1HB PRO 1 2HB PRO 1 -3.954 -9.575 5.485 5 2HB PRO 1 1HB PRO 1 -5.124 -8.835 6.589 6 1HG PRO 1 2HG PRO 1 -5.575 -11.215 5.412 7 2HG PRO 1 1HG PRO 1 -6.881 -10.067 5.768 8 1HD PRO 1 2HD PRO 1 -5.467 -10.576 3.162 9 2HD PRO 1 1HD PRO 1 -7.206 -10.407 3.476 10 H CYS 2 H CYS 2 -3.613 -6.241 5.434 11 HA CYS 2 HA CYS 2 -2.053 -6.106 3.009 12 1HB CYS 2 2HB CYS 2 -1.490 -4.492 5.439 13 2HB CYS 2 1HB CYS 2 -1.278 -4.069 3.759 14 HA PRO 3 HA PRO 3 1.261 -8.549 4.869 15 1HB PRO 3 2HB PRO 3 2.713 -8.836 2.649 16 2HB PRO 3 1HB PRO 3 1.186 -9.706 2.858 17 1HG PRO 3 2HG PRO 3 1.743 -7.205 1.339 18 2HG PRO 3 1HG PRO 3 0.765 -8.595 0.854 19 1HD PRO 3 2HD PRO 3 -0.276 -6.262 1.876 20 2HD PRO 3 1HD PRO 3 -1.067 -7.842 2.010 21 HA PRO 4 HA PRO 4 4.194 -5.593 6.137 22 1HB PRO 4 2HB PRO 4 6.528 -7.143 5.888 23 2HB PRO 4 1HB PRO 4 5.485 -7.017 7.306 24 1HG PRO 4 2HG PRO 4 5.548 -9.097 5.178 25 2HG PRO 4 1HG PRO 4 5.206 -9.265 6.911 26 1HD PRO 4 2HD PRO 4 3.247 -9.343 5.084 27 2HD PRO 4 1HD PRO 4 3.003 -8.570 6.666 28 H VAL 5 H VAL 5 4.837 -7.245 3.055 29 HA VAL 5 HA VAL 5 6.928 -5.476 2.316 30 HB VAL 5 HB VAL 5 6.963 -6.428 0.187 31 1HG1 VAL 5 1HG1 VAL 5 7.815 -8.327 0.974 32 2HG1 VAL 5 2HG1 VAL 5 6.194 -8.982 1.210 33 3HG1 VAL 5 3HG1 VAL 5 6.962 -8.047 2.492 34 1HG2 VAL 5 1HG2 VAL 5 4.472 -7.989 0.494 35 2HG2 VAL 5 2HG2 VAL 5 5.295 -7.447 -0.964 36 3HG2 VAL 5 3HG2 VAL 5 4.378 -6.296 0.003 37 H CYS 6 H CYS 6 3.510 -5.279 2.233 38 HA CYS 6 HA CYS 6 3.403 -3.166 0.287 39 1HB CYS 6 2HB CYS 6 1.351 -4.156 2.271 40 2HB CYS 6 1HB CYS 6 1.049 -2.981 0.982 41 H VAL 7 H VAL 7 3.540 -3.429 3.782 42 HA VAL 7 HA VAL 7 2.914 -0.773 4.377 43 HB VAL 7 HB VAL 7 4.266 -2.980 5.923 44 1HG1 VAL 7 1HG1 VAL 7 5.091 -0.710 6.658 45 2HG1 VAL 7 2HG1 VAL 7 4.246 -1.649 7.890 46 3HG1 VAL 7 3HG1 VAL 7 3.419 -0.326 7.064 47 1HG2 VAL 7 1HG2 VAL 7 1.834 -1.999 7.007 48 2HG2 VAL 7 2HG2 VAL 7 2.230 -3.603 6.379 49 3HG2 VAL 7 3HG2 VAL 7 1.626 -2.353 5.290 50 H ALA 8 H ALA 8 5.906 -2.508 3.857 51 HA ALA 8 HA ALA 8 7.494 -0.117 4.215 52 1HB ALA 8 1HB ALA 8 8.446 -2.093 5.064 53 2HB ALA 8 2HB ALA 8 9.346 -1.743 3.586 54 3HB ALA 8 3HB ALA 8 8.091 -2.986 3.586 55 H GLN 9 H GLN 9 6.111 -1.867 1.490 56 HA GLN 9 HA GLN 9 7.292 0.137 -0.267 57 1HB GLN 9 2HB GLN 9 7.245 -2.733 -1.138 58 2HB GLN 9 1HB GLN 9 8.147 -1.390 -1.822 59 1HG GLN 9 2HG GLN 9 9.895 -2.127 -0.707 60 2HG GLN 9 1HG GLN 9 9.096 -1.595 0.764 61 1HE2 GLN 9 1HE2 GLN 9 9.525 -4.354 -1.393 62 2HE2 GLN 9 2HE2 GLN 9 9.232 -5.563 -0.196 63 H CYS 10 H CYS 10 5.897 0.898 -1.762 64 HA CYS 10 HA CYS 10 3.244 -0.267 -1.877 65 1HB CYS 10 2HB CYS 10 3.733 2.237 -1.728 66 2HB CYS 10 1HB CYS 10 4.280 2.134 -3.396 67 H VAL 11 H VAL 11 4.264 -2.250 -2.893 68 HA VAL 11 HA VAL 11 5.179 -2.011 -5.588 69 HB VAL 11 HB VAL 11 4.829 -4.615 -5.474 70 1HG1 VAL 11 1HG1 VAL 11 6.973 -3.259 -3.868 71 2HG1 VAL 11 2HG1 VAL 11 6.947 -3.360 -5.630 72 3HG1 VAL 11 3HG1 VAL 11 7.068 -4.829 -4.664 73 1HG2 VAL 11 1HG2 VAL 11 3.651 -4.271 -3.194 74 2HG2 VAL 11 2HG2 VAL 11 5.289 -4.152 -2.553 75 3HG2 VAL 11 3HG2 VAL 11 4.767 -5.613 -3.393 76 HA PRO 12 HA PRO 12 1.488 -2.391 -7.846 77 1HB PRO 12 2HB PRO 12 2.493 -4.639 -9.450 78 2HB PRO 12 1HB PRO 12 2.110 -2.989 -9.947 79 1HG PRO 12 2HG PRO 12 4.648 -3.881 -9.785 80 2HG PRO 12 1HG PRO 12 4.211 -2.200 -9.426 81 1HD PRO 12 2HD PRO 12 4.794 -4.454 -7.539 82 2HD PRO 12 1HD PRO 12 5.263 -2.746 -7.431 83 H THR 13 H THR 13 2.629 -5.362 -6.433 84 HA THR 13 HA THR 13 0.207 -6.791 -6.986 85 HB THR 13 HB THR 13 1.182 -8.415 -5.246 86 HG1 THR 13 1HG THR 13 3.327 -6.600 -5.544 87 1HG2 THR 13 1HG2 THR 13 2.041 -7.903 -7.962 88 2HG2 THR 13 2HG2 THR 13 1.669 -9.424 -7.151 89 3HG2 THR 13 3HG2 THR 13 3.273 -8.708 -6.991 90 H CYS 14 H CYS 14 1.331 -4.648 -4.589 91 HA CYS 14 HA CYS 14 -0.283 -5.508 -2.456 92 1HB CYS 14 2HB CYS 14 1.163 -2.983 -3.135 93 2HB CYS 14 1HB CYS 14 0.179 -3.111 -1.679 94 HA PRO 15 HA PRO 15 -4.305 -3.815 -3.418 95 1HB PRO 15 2HB PRO 15 -5.246 -3.590 -0.914 96 2HB PRO 15 1HB PRO 15 -5.011 -5.160 -1.650 97 1HG PRO 15 2HG PRO 15 -3.207 -3.660 0.164 98 2HG PRO 15 1HG PRO 15 -3.776 -5.328 0.324 99 1HD PRO 15 2HD PRO 15 -1.386 -4.784 -0.686 100 2HD PRO 15 1HD PRO 15 -2.386 -6.074 -1.382 101 H GLN 16 H GLN 16 -4.821 -1.829 -3.855 102 HA GLN 16 HA GLN 16 -3.194 0.322 -3.400 103 1HB GLN 16 2HB GLN 16 -4.885 0.170 -5.203 104 2HB GLN 16 1HB GLN 16 -6.146 0.466 -4.032 105 1HG GLN 16 2HG GLN 16 -5.761 2.651 -3.959 106 2HG GLN 16 1HG GLN 16 -4.010 2.451 -4.015 107 1HE2 GLN 16 1HE2 GLN 16 -3.733 1.064 -6.390 108 2HE2 GLN 16 2HE2 GLN 16 -4.212 2.080 -7.702 109 H TYR 17 H TYR 17 -5.947 -0.728 -1.529 110 HA TYR 17 HA TYR 17 -6.035 1.635 0.013 111 1HB TYR 17 2HB TYR 17 -7.485 0.240 1.575 112 2HB TYR 17 1HB TYR 17 -8.068 0.452 -0.068 113 HD1 TYR 17 1HD TYR 17 -6.498 -1.956 2.268 114 HD2 TYR 17 2HD TYR 17 -8.378 -1.402 -1.513 115 HE1 TYR 17 1HE TYR 17 -6.835 -4.394 2.107 116 HE2 TYR 17 2HE TYR 17 -8.723 -3.831 -1.701 117 HH TYR 17 HH TYR 17 -8.922 -5.816 0.099 118 H CYS 18 H CYS 18 -3.909 -1.004 0.131 119 HA CYS 18 HA CYS 18 -3.339 -0.468 2.955 120 1HB CYS 18 2HB CYS 18 -2.209 -2.490 1.046 121 2HB CYS 18 1HB CYS 18 -1.731 -2.330 2.730 122 H CYS 19 H CYS 19 -2.221 0.481 -0.139 123 HA CYS 19 HA CYS 19 0.493 0.904 0.425 124 1HB CYS 19 2HB CYS 19 -0.299 1.014 -1.851 125 2HB CYS 19 1HB CYS 19 -1.258 2.448 -1.484 126 HA PRO 20 HA PRO 20 -0.120 4.272 3.274 127 1HB PRO 20 2HB PRO 20 2.402 4.636 4.070 128 2HB PRO 20 1HB PRO 20 1.496 3.191 4.531 129 1HG PRO 20 2HG PRO 20 3.520 3.531 2.346 130 2HG PRO 20 1HG PRO 20 3.366 2.215 3.525 131 1HD PRO 20 2HD PRO 20 2.410 2.076 0.950 132 2HD PRO 20 1HD PRO 20 1.735 1.158 2.319 133 H ALA 21 H ALA 21 -0.766 5.862 1.892 134 HA ALA 21 HA ALA 21 1.009 7.225 0.133 135 1HB ALA 21 1HB ALA 21 -1.682 8.086 1.177 136 2HB ALA 21 2HB ALA 21 -1.370 7.213 -0.325 137 3HB ALA 21 3HB ALA 21 -0.787 8.866 -0.125 138 H LYS 22 H LYS 22 2.626 8.335 0.801 139 HA LYS 22 HA LYS 22 2.930 9.446 3.382 140 1HB LYS 22 2HB LYS 22 4.448 10.065 0.827 141 2HB LYS 22 1HB LYS 22 4.975 10.506 2.447 142 1HG LYS 22 2HG LYS 22 6.119 8.599 2.394 143 2HG LYS 22 1HG LYS 22 4.568 7.816 2.694 144 1HD LYS 22 2HD LYS 22 5.019 6.669 0.814 145 2HD LYS 22 1HD LYS 22 4.510 8.141 -0.015 146 1HE LYS 22 2HE LYS 22 7.202 8.529 0.678 147 2HE LYS 22 1HE LYS 22 7.094 6.883 0.056 148 1HZ LYS 22 1HZ LYS 22 5.671 8.868 -1.495 149 2HZ LYS 22 2HZ LYS 22 6.673 7.604 -2.008 150 3HZ LYS 22 3HZ LYS 22 7.352 9.059 -1.476 151 H ARG 23 H ARG 23 0.933 10.736 3.632 152 HA ARG 23 HA ARG 23 1.357 13.478 3.177 153 1HB ARG 23 2HB ARG 23 0.847 12.831 0.839 154 2HB ARG 23 1HB ARG 23 -0.719 12.235 1.365 155 1HG ARG 23 2HG ARG 23 -1.586 14.250 1.118 156 2HG ARG 23 1HG ARG 23 -0.432 14.910 2.279 157 1HD ARG 23 2HD ARG 23 1.122 14.647 0.064 158 2HD ARG 23 1HD ARG 23 -0.441 15.027 -0.656 159 HE ARG 23 HE ARG 23 1.076 16.732 1.194 160 1HH1 ARG 23 1HH1 ARG 23 -1.574 16.324 -1.054 161 2HH1 ARG 23 2HH1 ARG 23 -1.905 18.018 -1.152 162 1HH2 ARG 23 1HH2 ARG 23 0.629 18.955 1.061 163 2HH2 ARG 23 2HH2 ARG 23 -0.658 19.509 0.044 164 H LYS 24 H LYS 24 -0.221 14.790 4.137 165 HA LYS 24 HA LYS 24 -2.758 14.008 5.000 166 1HB LYS 24 2HB LYS 24 -2.388 13.623 7.413 167 2HB LYS 24 1HB LYS 24 -1.668 12.361 6.425 168 1HG LYS 24 2HG LYS 24 -0.046 14.688 7.387 169 2HG LYS 24 1HG LYS 24 -0.337 13.280 8.410 170 1HD LYS 24 2HD LYS 24 0.483 11.938 6.339 171 2HD LYS 24 1HD LYS 24 1.192 13.478 5.846 172 1HE LYS 24 2HE LYS 24 2.925 12.514 7.028 173 2HE LYS 24 1HE LYS 24 2.150 13.505 8.264 174 1HZ LYS 24 1HZ LYS 24 1.550 11.712 9.427 175 2HZ LYS 24 2HZ LYS 24 2.712 10.885 8.519 176 3HZ LYS 24 3HZ LYS 24 1.086 10.833 8.057 Start of MODEL 9 1 1H PRO 1 1HT PRO 1 -5.677 -8.324 2.717 2 2H PRO 1 2HT PRO 1 -6.982 -8.093 3.692 3 HA PRO 1 HA PRO 1 -5.761 -7.208 5.065 4 1HB PRO 1 2HB PRO 1 -3.985 -9.450 5.706 5 2HB PRO 1 1HB PRO 1 -5.266 -8.726 6.691 6 1HG PRO 1 2HG PRO 1 -5.494 -11.182 5.578 7 2HG PRO 1 1HG PRO 1 -6.882 -10.114 5.849 8 1HD PRO 1 2HD PRO 1 -5.343 -10.612 3.315 9 2HD PRO 1 1HD PRO 1 -7.099 -10.527 3.560 10 H CYS 2 H CYS 2 -3.727 -6.148 5.451 11 HA CYS 2 HA CYS 2 -2.114 -6.055 3.076 12 1HB CYS 2 2HB CYS 2 -1.554 -4.460 5.518 13 2HB CYS 2 1HB CYS 2 -1.304 -4.037 3.845 14 HA PRO 3 HA PRO 3 1.162 -8.544 4.933 15 1HB PRO 3 2HB PRO 3 2.598 -8.869 2.714 16 2HB PRO 3 1HB PRO 3 1.057 -9.708 2.930 17 1HG PRO 3 2HG PRO 3 1.654 -7.226 1.397 18 2HG PRO 3 1HG PRO 3 0.649 -8.600 0.921 19 1HD PRO 3 2HD PRO 3 -0.350 -6.246 1.941 20 2HD PRO 3 1HD PRO 3 -1.166 -7.813 2.079 21 HA PRO 4 HA PRO 4 4.139 -5.626 6.180 22 1HB PRO 4 2HB PRO 4 6.454 -7.201 5.928 23 2HB PRO 4 1HB PRO 4 5.408 -7.078 7.345 24 1HG PRO 4 2HG PRO 4 5.439 -9.129 5.184 25 2HG PRO 4 1HG PRO 4 5.124 -9.325 6.918 26 1HD PRO 4 2HD PRO 4 3.129 -9.362 5.144 27 2HD PRO 4 1HD PRO 4 2.927 -8.577 6.725 28 H VAL 5 H VAL 5 4.755 -7.285 3.096 29 HA VAL 5 HA VAL 5 6.865 -5.531 2.362 30 HB VAL 5 HB VAL 5 6.886 -6.483 0.223 31 1HG1 VAL 5 1HG1 VAL 5 7.444 -7.927 2.314 32 2HG1 VAL 5 2HG1 VAL 5 7.409 -8.673 0.716 33 3HG1 VAL 5 3HG1 VAL 5 6.036 -8.859 1.806 34 1HG2 VAL 5 1HG2 VAL 5 4.409 -8.059 0.597 35 2HG2 VAL 5 2HG2 VAL 5 5.213 -7.558 -0.886 36 3HG2 VAL 5 3HG2 VAL 5 4.306 -6.381 0.060 37 H CYS 6 H CYS 6 3.452 -5.314 2.262 38 HA CYS 6 HA CYS 6 3.368 -3.209 0.307 39 1HB CYS 6 2HB CYS 6 1.304 -4.162 2.297 40 2HB CYS 6 1HB CYS 6 1.019 -3.006 0.986 41 H VAL 7 H VAL 7 3.488 -3.464 3.805 42 HA VAL 7 HA VAL 7 2.886 -0.802 4.400 43 HB VAL 7 HB VAL 7 4.214 -3.030 5.940 44 1HG1 VAL 7 1HG1 VAL 7 3.410 -1.105 7.780 45 2HG1 VAL 7 2HG1 VAL 7 4.289 -0.201 6.546 46 3HG1 VAL 7 3HG1 VAL 7 5.066 -1.552 7.373 47 1HG2 VAL 7 1HG2 VAL 7 1.753 -1.906 6.938 48 2HG2 VAL 7 2HG2 VAL 7 2.191 -3.579 6.569 49 3HG2 VAL 7 3HG2 VAL 7 1.617 -2.513 5.285 50 H ALA 8 H ALA 8 5.864 -2.571 3.891 51 HA ALA 8 HA ALA 8 7.475 -0.205 4.267 52 1HB ALA 8 1HB ALA 8 8.306 -2.285 5.106 53 2HB ALA 8 2HB ALA 8 9.331 -1.791 3.756 54 3HB ALA 8 3HB ALA 8 8.111 -3.049 3.530 55 H GLN 9 H GLN 9 6.072 -1.916 1.527 56 HA GLN 9 HA GLN 9 7.277 0.100 -0.198 57 1HB GLN 9 2HB GLN 9 7.282 -2.797 -1.003 58 2HB GLN 9 1HB GLN 9 8.056 -1.451 -1.820 59 1HG GLN 9 2HG GLN 9 9.783 -1.348 -0.301 60 2HG GLN 9 1HG GLN 9 8.874 -2.190 0.948 61 1HE2 GLN 9 1HE2 GLN 9 8.313 -4.478 0.438 62 2HE2 GLN 9 2HE2 GLN 9 9.512 -5.429 -0.363 63 H CYS 10 H CYS 10 5.927 0.841 -1.739 64 HA CYS 10 HA CYS 10 3.264 -0.299 -1.870 65 1HB CYS 10 2HB CYS 10 3.789 2.207 -1.723 66 2HB CYS 10 1HB CYS 10 4.309 2.090 -3.400 67 H VAL 11 H VAL 11 4.258 -2.295 -2.867 68 HA VAL 11 HA VAL 11 5.221 -2.075 -5.550 69 HB VAL 11 HB VAL 11 4.856 -4.669 -5.443 70 1HG1 VAL 11 1HG1 VAL 11 7.021 -3.819 -5.611 71 2HG1 VAL 11 2HG1 VAL 11 7.046 -4.817 -4.159 72 3HG1 VAL 11 3HG1 VAL 11 6.942 -3.063 -4.020 73 1HG2 VAL 11 1HG2 VAL 11 5.218 -4.249 -2.505 74 2HG2 VAL 11 2HG2 VAL 11 4.668 -5.677 -3.385 75 3HG2 VAL 11 3HG2 VAL 11 3.598 -4.296 -3.198 76 HA PRO 12 HA PRO 12 1.549 -2.407 -7.852 77 1HB PRO 12 2HB PRO 12 2.542 -4.668 -9.444 78 2HB PRO 12 1HB PRO 12 2.192 -3.012 -9.946 79 1HG PRO 12 2HG PRO 12 4.712 -3.951 -9.751 80 2HG PRO 12 1HG PRO 12 4.300 -2.261 -9.406 81 1HD PRO 12 2HD PRO 12 4.830 -4.510 -7.501 82 2HD PRO 12 1HD PRO 12 5.315 -2.807 -7.397 83 H THR 13 H THR 13 2.643 -5.391 -6.424 84 HA THR 13 HA THR 13 0.216 -6.798 -7.008 85 HB THR 13 HB THR 13 1.213 -8.403 -5.224 86 HG1 THR 13 1HG THR 13 2.730 -6.592 -4.606 87 1HG2 THR 13 1HG2 THR 13 2.776 -7.885 -7.738 88 2HG2 THR 13 2HG2 THR 13 1.315 -8.865 -7.622 89 3HG2 THR 13 3HG2 THR 13 2.783 -9.367 -6.784 90 H CYS 14 H CYS 14 1.326 -4.664 -4.589 91 HA CYS 14 HA CYS 14 -0.333 -5.528 -2.481 92 1HB CYS 14 2HB CYS 14 1.183 -3.032 -3.102 93 2HB CYS 14 1HB CYS 14 0.173 -3.149 -1.663 94 HA PRO 15 HA PRO 15 -4.295 -3.705 -3.445 95 1HB PRO 15 2HB PRO 15 -5.260 -3.514 -0.949 96 2HB PRO 15 1HB PRO 15 -5.044 -5.071 -1.715 97 1HG PRO 15 2HG PRO 15 -3.237 -3.639 0.152 98 2HG PRO 15 1HG PRO 15 -3.840 -5.299 0.275 99 1HD PRO 15 2HD PRO 15 -1.428 -4.783 -0.699 100 2HD PRO 15 1HD PRO 15 -2.443 -6.042 -1.427 101 H GLN 16 H GLN 16 -4.773 -1.703 -3.848 102 HA GLN 16 HA GLN 16 -3.127 0.423 -3.338 103 1HB GLN 16 2HB GLN 16 -4.811 0.316 -5.153 104 2HB GLN 16 1HB GLN 16 -6.073 0.616 -3.983 105 1HG GLN 16 2HG GLN 16 -5.726 2.786 -4.017 106 2HG GLN 16 1HG GLN 16 -3.986 2.589 -3.801 107 1HE2 GLN 16 1HE2 GLN 16 -3.326 1.199 -6.075 108 2HE2 GLN 16 2HE2 GLN 16 -3.600 2.192 -7.461 109 H TYR 17 H TYR 17 -5.903 -0.625 -1.504 110 HA TYR 17 HA TYR 17 -5.973 1.714 0.075 111 1HB TYR 17 2HB TYR 17 -7.444 0.316 1.611 112 2HB TYR 17 1HB TYR 17 -8.019 0.547 -0.033 113 HD1 TYR 17 1HD TYR 17 -6.484 -1.896 2.289 114 HD2 TYR 17 2HD TYR 17 -8.331 -1.284 -1.500 115 HE1 TYR 17 1HE TYR 17 -6.834 -4.331 2.100 116 HE2 TYR 17 2HE TYR 17 -8.690 -3.709 -1.720 117 HH TYR 17 HH TYR 17 -8.256 -5.735 -0.846 118 H CYS 18 H CYS 18 -3.896 -0.973 0.159 119 HA CYS 18 HA CYS 18 -3.327 -0.482 2.990 120 1HB CYS 18 2HB CYS 18 -2.234 -2.503 1.056 121 2HB CYS 18 1HB CYS 18 -1.732 -2.357 2.731 122 H CYS 19 H CYS 19 -2.185 0.476 -0.091 123 HA CYS 19 HA CYS 19 0.527 0.878 0.494 124 1HB CYS 19 2HB CYS 19 -0.261 0.993 -1.791 125 2HB CYS 19 1HB CYS 19 -1.205 2.438 -1.426 126 HA PRO 20 HA PRO 20 -0.070 4.238 3.343 127 1HB PRO 20 2HB PRO 20 2.485 4.720 4.003 128 2HB PRO 20 1HB PRO 20 1.645 3.266 4.553 129 1HG PRO 20 2HG PRO 20 3.564 3.593 2.276 130 2HG PRO 20 1HG PRO 20 3.477 2.297 3.483 131 1HD PRO 20 2HD PRO 20 2.440 2.093 0.950 132 2HD PRO 20 1HD PRO 20 1.823 1.188 2.355 133 H ALA 21 H ALA 21 -0.866 5.754 1.976 134 HA ALA 21 HA ALA 21 1.027 7.515 0.567 135 1HB ALA 21 1HB ALA 21 -0.971 8.384 -0.565 136 2HB ALA 21 2HB ALA 21 -1.950 7.187 0.284 137 3HB ALA 21 3HB ALA 21 -0.708 6.666 -0.856 138 H LYS 22 H LYS 22 1.627 9.191 1.683 139 HA LYS 22 HA LYS 22 0.252 10.130 4.004 140 1HB LYS 22 2HB LYS 22 2.569 11.280 2.425 141 2HB LYS 22 1HB LYS 22 1.879 12.120 3.804 142 1HG LYS 22 2HG LYS 22 2.566 9.307 4.298 143 2HG LYS 22 1HG LYS 22 3.930 10.370 3.949 144 1HD LYS 22 2HD LYS 22 2.127 11.668 5.766 145 2HD LYS 22 1HD LYS 22 2.545 10.068 6.382 146 1HE LYS 22 2HE LYS 22 4.606 10.722 6.917 147 2HE LYS 22 1HE LYS 22 4.864 11.441 5.328 148 1HZ LYS 22 1HZ LYS 22 4.889 13.347 6.472 149 2HZ LYS 22 2HZ LYS 22 4.096 12.692 7.814 150 3HZ LYS 22 3HZ LYS 22 3.203 13.209 6.475 151 H ARG 23 H ARG 23 -1.926 10.495 3.140 152 HA ARG 23 HA ARG 23 -2.483 13.187 2.653 153 1HB ARG 23 2HB ARG 23 -1.494 12.821 0.450 154 2HB ARG 23 1HB ARG 23 -2.569 11.457 0.173 155 1HG ARG 23 2HG ARG 23 -4.492 13.044 0.353 156 2HG ARG 23 1HG ARG 23 -3.318 14.361 0.394 157 1HD ARG 23 2HD ARG 23 -2.783 12.550 -1.792 158 2HD ARG 23 1HD ARG 23 -4.434 13.162 -1.865 159 HE ARG 23 HE ARG 23 -2.591 15.264 -1.378 160 1HH1 ARG 23 1HH1 ARG 23 -3.782 13.171 -3.905 161 2HH1 ARG 23 2HH1 ARG 23 -3.431 14.295 -5.174 162 1HH2 ARG 23 1HH2 ARG 23 -2.127 16.743 -3.046 163 2HH2 ARG 23 2HH2 ARG 23 -2.492 16.325 -4.686 164 H LYS 24 H LYS 24 -4.727 13.609 2.576 165 HA LYS 24 HA LYS 24 -6.743 11.724 2.136 166 1HB LYS 24 2HB LYS 24 -7.400 11.584 4.695 167 2HB LYS 24 1HB LYS 24 -6.332 10.402 3.957 168 1HG LYS 24 2HG LYS 24 -5.613 11.234 6.196 169 2HG LYS 24 1HG LYS 24 -4.409 11.409 4.921 170 1HD LYS 24 2HD LYS 24 -5.319 13.790 4.649 171 2HD LYS 24 1HD LYS 24 -6.120 13.526 6.197 172 1HE LYS 24 2HE LYS 24 -4.202 13.700 7.355 173 2HE LYS 24 1HE LYS 24 -3.281 12.798 6.152 174 1HZ LYS 24 1HZ LYS 24 -3.639 14.996 4.791 175 2HZ LYS 24 2HZ LYS 24 -2.371 14.851 5.900 176 3HZ LYS 24 3HZ LYS 24 -3.782 15.675 6.334 Start of MODEL 10 1 1H PRO 1 1HT PRO 1 -5.684 -8.468 2.698 2 2H PRO 1 2HT PRO 1 -6.983 -8.274 3.688 3 HA PRO 1 HA PRO 1 -5.773 -7.289 5.003 4 1HB PRO 1 2HB PRO 1 -3.949 -9.448 5.750 5 2HB PRO 1 1HB PRO 1 -5.279 -8.743 6.682 6 1HG PRO 1 2HG PRO 1 -5.374 -11.242 5.639 7 2HG PRO 1 1HG PRO 1 -6.812 -10.234 5.868 8 1HD PRO 1 2HD PRO 1 -5.220 -10.720 3.365 9 2HD PRO 1 1HD PRO 1 -6.981 -10.720 3.589 10 H CYS 2 H CYS 2 -3.771 -6.181 5.358 11 HA CYS 2 HA CYS 2 -2.151 -6.073 2.999 12 1HB CYS 2 2HB CYS 2 -1.566 -4.525 5.468 13 2HB CYS 2 1HB CYS 2 -1.341 -4.065 3.800 14 HA PRO 3 HA PRO 3 1.147 -8.585 4.796 15 1HB PRO 3 2HB PRO 3 2.592 -8.842 2.570 16 2HB PRO 3 1HB PRO 3 1.055 -9.699 2.763 17 1HG PRO 3 2HG PRO 3 1.637 -7.174 1.297 18 2HG PRO 3 1HG PRO 3 0.643 -8.542 0.783 19 1HD PRO 3 2HD PRO 3 -0.375 -6.221 1.860 20 2HD PRO 3 1HD PRO 3 -1.181 -7.795 1.959 21 HA PRO 4 HA PRO 4 4.112 -5.678 6.126 22 1HB PRO 4 2HB PRO 4 6.431 -7.245 5.840 23 2HB PRO 4 1HB PRO 4 5.387 -7.150 7.259 24 1HG PRO 4 2HG PRO 4 5.422 -9.162 5.064 25 2HG PRO 4 1HG PRO 4 5.098 -9.386 6.794 26 1HD PRO 4 2HD PRO 4 3.115 -9.393 5.003 27 2HD PRO 4 1HD PRO 4 2.901 -8.643 6.601 28 H VAL 5 H VAL 5 4.733 -7.269 3.008 29 HA VAL 5 HA VAL 5 6.838 -5.501 2.308 30 HB VAL 5 HB VAL 5 6.869 -6.409 0.157 31 1HG1 VAL 5 1HG1 VAL 5 7.143 -7.977 2.350 32 2HG1 VAL 5 2HG1 VAL 5 7.557 -8.474 0.709 33 3HG1 VAL 5 3HG1 VAL 5 5.993 -8.914 1.396 34 1HG2 VAL 5 1HG2 VAL 5 4.268 -6.282 0.001 35 2HG2 VAL 5 2HG2 VAL 5 4.391 -7.994 0.419 36 3HG2 VAL 5 3HG2 VAL 5 5.196 -7.379 -1.020 37 H CYS 6 H CYS 6 3.423 -5.279 2.230 38 HA CYS 6 HA CYS 6 3.343 -3.133 0.322 39 1HB CYS 6 2HB CYS 6 1.266 -4.123 2.282 40 2HB CYS 6 1HB CYS 6 0.987 -2.955 0.982 41 H VAL 7 H VAL 7 3.445 -3.456 3.812 42 HA VAL 7 HA VAL 7 2.845 -0.805 4.451 43 HB VAL 7 HB VAL 7 4.161 -3.059 5.960 44 1HG1 VAL 7 1HG1 VAL 7 4.303 -0.267 6.606 45 2HG1 VAL 7 2HG1 VAL 7 4.933 -1.652 7.499 46 3HG1 VAL 7 3HG1 VAL 7 3.283 -1.099 7.780 47 1HG2 VAL 7 1HG2 VAL 7 1.528 -2.375 5.335 48 2HG2 VAL 7 2HG2 VAL 7 1.740 -2.086 7.064 49 3HG2 VAL 7 3HG2 VAL 7 2.116 -3.671 6.379 50 H ALA 8 H ALA 8 5.821 -2.572 3.928 51 HA ALA 8 HA ALA 8 7.439 -0.215 4.350 52 1HB ALA 8 1HB ALA 8 8.191 -2.383 5.146 53 2HB ALA 8 2HB ALA 8 9.300 -1.762 3.923 54 3HB ALA 8 3HB ALA 8 8.134 -3.019 3.502 55 H GLN 9 H GLN 9 6.044 -1.875 1.582 56 HA GLN 9 HA GLN 9 7.250 0.151 -0.123 57 1HB GLN 9 2HB GLN 9 7.303 -2.680 -1.080 58 2HB GLN 9 1HB GLN 9 8.275 -1.310 -1.606 59 1HG GLN 9 2HG GLN 9 9.310 -1.414 0.739 60 2HG GLN 9 1HG GLN 9 8.594 -3.021 0.823 61 1HE2 GLN 9 1HE2 GLN 9 9.191 -4.543 -0.890 62 2HE2 GLN 9 2HE2 GLN 9 10.777 -4.449 -1.568 63 H CYS 10 H CYS 10 5.922 0.832 -1.723 64 HA CYS 10 HA CYS 10 3.282 -0.366 -1.864 65 1HB CYS 10 2HB CYS 10 3.739 2.145 -1.713 66 2HB CYS 10 1HB CYS 10 4.272 2.046 -3.389 67 H VAL 11 H VAL 11 4.177 -2.355 -2.888 68 HA VAL 11 HA VAL 11 5.165 -2.122 -5.572 69 HB VAL 11 HB VAL 11 4.823 -4.707 -5.478 70 1HG1 VAL 11 1HG1 VAL 11 6.955 -3.470 -5.502 71 2HG1 VAL 11 2HG1 VAL 11 7.014 -4.954 -4.551 72 3HG1 VAL 11 3HG1 VAL 11 6.889 -3.391 -3.740 73 1HG2 VAL 11 1HG2 VAL 11 5.136 -4.312 -2.533 74 2HG2 VAL 11 2HG2 VAL 11 4.620 -5.740 -3.434 75 3HG2 VAL 11 3HG2 VAL 11 3.528 -4.374 -3.255 76 HA PRO 12 HA PRO 12 1.461 -2.471 -7.831 77 1HB PRO 12 2HB PRO 12 2.447 -4.742 -9.416 78 2HB PRO 12 1HB PRO 12 2.071 -3.096 -9.930 79 1HG PRO 12 2HG PRO 12 4.603 -3.989 -9.773 80 2HG PRO 12 1HG PRO 12 4.174 -2.307 -9.406 81 1HD PRO 12 2HD PRO 12 4.744 -4.570 -7.525 82 2HD PRO 12 1HD PRO 12 5.236 -2.867 -7.421 83 H THR 13 H THR 13 2.578 -5.438 -6.381 84 HA THR 13 HA THR 13 0.158 -6.871 -6.941 85 HB THR 13 HB THR 13 1.168 -8.448 -5.142 86 HG1 THR 13 1HG THR 13 2.701 -6.517 -4.652 87 1HG2 THR 13 1HG2 THR 13 3.199 -8.336 -7.210 88 2HG2 THR 13 2HG2 THR 13 1.555 -8.305 -7.847 89 3HG2 THR 13 3HG2 THR 13 2.066 -9.624 -6.793 90 H CYS 14 H CYS 14 1.261 -4.703 -4.560 91 HA CYS 14 HA CYS 14 -0.360 -5.517 -2.416 92 1HB CYS 14 2HB CYS 14 1.073 -2.996 -3.143 93 2HB CYS 14 1HB CYS 14 0.096 -3.107 -1.679 94 HA PRO 15 HA PRO 15 -4.380 -3.807 -3.395 95 1HB PRO 15 2HB PRO 15 -5.318 -3.567 -0.894 96 2HB PRO 15 1HB PRO 15 -5.082 -5.145 -1.618 97 1HG PRO 15 2HG PRO 15 -3.278 -3.629 0.185 98 2HG PRO 15 1HG PRO 15 -3.848 -5.294 0.363 99 1HD PRO 15 2HD PRO 15 -1.457 -4.764 -0.658 100 2HD PRO 15 1HD PRO 15 -2.460 -6.061 -1.335 101 H GLN 16 H GLN 16 -4.884 -1.809 -3.835 102 HA GLN 16 HA GLN 16 -3.250 0.333 -3.378 103 1HB GLN 16 2HB GLN 16 -4.941 0.164 -5.180 104 2HB GLN 16 1HB GLN 16 -6.200 0.485 -4.014 105 1HG GLN 16 2HG GLN 16 -5.881 2.539 -4.934 106 2HG GLN 16 1HG GLN 16 -4.853 2.621 -3.507 107 1HE2 GLN 16 1HE2 GLN 16 -4.331 1.100 -6.666 108 2HE2 GLN 16 2HE2 GLN 16 -2.899 1.986 -7.050 109 H TYR 17 H TYR 17 -6.010 -0.700 -1.505 110 HA TYR 17 HA TYR 17 -6.081 1.667 0.037 111 1HB TYR 17 2HB TYR 17 -7.539 0.280 1.600 112 2HB TYR 17 1HB TYR 17 -8.123 0.491 -0.043 113 HD1 TYR 17 1HD TYR 17 -8.435 -1.357 -1.485 114 HD2 TYR 17 2HD TYR 17 -6.559 -1.922 2.293 115 HE1 TYR 17 1HE TYR 17 -8.787 -3.784 -1.678 116 HE2 TYR 17 2HE TYR 17 -6.891 -4.360 2.125 117 HH TYR 17 HH TYR 17 -8.645 -5.877 0.780 118 H CYS 18 H CYS 18 -3.972 -0.983 0.155 119 HA CYS 18 HA CYS 18 -3.415 -0.458 2.986 120 1HB CYS 18 2HB CYS 18 -2.294 -2.490 1.077 121 2HB CYS 18 1HB CYS 18 -1.804 -2.325 2.757 122 H CYS 19 H CYS 19 -2.272 0.476 -0.102 123 HA CYS 19 HA CYS 19 0.439 0.884 0.496 124 1HB CYS 19 2HB CYS 19 -0.324 0.939 -1.796 125 2HB CYS 19 1HB CYS 19 -1.265 2.396 -1.482 126 HA PRO 20 HA PRO 20 -0.178 4.342 3.232 127 1HB PRO 20 2HB PRO 20 2.351 4.746 4.006 128 2HB PRO 20 1HB PRO 20 1.451 3.315 4.525 129 1HG PRO 20 2HG PRO 20 3.467 3.581 2.322 130 2HG PRO 20 1HG PRO 20 3.315 2.305 3.543 131 1HD PRO 20 2HD PRO 20 2.360 2.084 0.977 132 2HD PRO 20 1HD PRO 20 1.689 1.206 2.374 133 H ALA 21 H ALA 21 -0.839 5.888 1.815 134 HA ALA 21 HA ALA 21 1.048 7.285 0.124 135 1HB ALA 21 1HB ALA 21 -0.830 8.604 -0.603 136 2HB ALA 21 2HB ALA 21 -1.848 7.898 0.652 137 3HB ALA 21 3HB ALA 21 -1.232 6.887 -0.657 138 H LYS 22 H LYS 22 2.378 8.653 1.016 139 HA LYS 22 HA LYS 22 1.649 10.130 3.418 140 1HB LYS 22 2HB LYS 22 4.247 10.037 1.859 141 2HB LYS 22 1HB LYS 22 4.016 10.946 3.346 142 1HG LYS 22 2HG LYS 22 3.162 8.417 4.021 143 2HG LYS 22 1HG LYS 22 4.536 8.119 2.955 144 1HD LYS 22 2HD LYS 22 5.651 9.998 4.427 145 2HD LYS 22 1HD LYS 22 4.438 9.483 5.602 146 1HE LYS 22 2HE LYS 22 5.511 7.118 4.607 147 2HE LYS 22 1HE LYS 22 6.897 8.191 4.792 148 1HZ LYS 22 1HZ LYS 22 6.861 7.652 6.929 149 2HZ LYS 22 2HZ LYS 22 5.373 6.858 6.791 150 3HZ LYS 22 3HZ LYS 22 5.419 8.524 7.082 151 H ARG 23 H ARG 23 -0.060 11.510 2.403 152 HA ARG 23 HA ARG 23 0.823 14.084 1.852 153 1HB ARG 23 2HB ARG 23 1.633 12.962 -0.286 154 2HB ARG 23 1HB ARG 23 -0.058 12.740 -0.706 155 1HG ARG 23 2HG ARG 23 -0.351 14.907 -1.236 156 2HG ARG 23 1HG ARG 23 0.721 15.478 0.043 157 1HD ARG 23 2HD ARG 23 2.254 14.041 -1.892 158 2HD ARG 23 1HD ARG 23 1.261 15.239 -2.715 159 HE ARG 23 HE ARG 23 3.171 15.852 -0.556 160 1HH1 ARG 23 1HH1 ARG 23 1.446 16.771 -3.457 161 2HH1 ARG 23 2HH1 ARG 23 2.224 18.310 -3.573 162 1HH2 ARG 23 1HH2 ARG 23 4.187 17.876 -0.719 163 2HH2 ARG 23 2HH2 ARG 23 3.780 18.938 -2.025 164 H LYS 24 H LYS 24 -0.975 15.480 0.896 165 HA LYS 24 HA LYS 24 -3.616 14.534 0.681 166 1HB LYS 24 2HB LYS 24 -4.594 15.378 2.779 167 2HB LYS 24 1HB LYS 24 -3.479 14.054 3.069 168 1HG LYS 24 2HG LYS 24 -2.565 16.899 3.302 169 2HG LYS 24 1HG LYS 24 -3.433 16.113 4.620 170 1HD LYS 24 2HD LYS 24 -0.870 15.135 3.363 171 2HD LYS 24 1HD LYS 24 -1.016 15.937 4.926 172 1HE LYS 24 2HE LYS 24 -2.059 13.232 4.120 173 2HE LYS 24 1HE LYS 24 -0.873 13.612 5.368 174 1HZ LYS 24 1HZ LYS 24 -2.957 15.010 6.236 175 2HZ LYS 24 2HZ LYS 24 -2.662 13.408 6.695 176 3HZ LYS 24 3HZ LYS 24 -3.772 13.744 5.463
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