NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16741 | 2ap7 | 6774 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 HT1 ILE 1 14.423 -3.019 5.748 2 2H ILE 1 HT2 ILE 1 12.772 -2.648 6.029 3 3H ILE 1 HT3 ILE 1 13.873 -1.402 5.602 4 HA ILE 1 HA ILE 1 13.663 -3.634 3.791 5 HB ILE 1 HB ILE 1 11.305 -3.192 4.470 6 1HG1 ILE 1 HG12 ILE 1 11.381 -2.175 1.701 7 2HG1 ILE 1 HG11 ILE 1 12.328 -3.632 1.988 8 1HG2 ILE 1 HG21 ILE 1 11.529 -0.815 4.983 9 2HG2 ILE 1 HG22 ILE 1 10.239 -1.103 3.816 10 3HG2 ILE 1 HG23 ILE 1 11.793 -0.469 3.274 11 1HD1 ILE 1 HD11 ILE 1 9.730 -3.849 3.201 12 2HD1 ILE 1 HD12 ILE 1 10.505 -4.884 2.002 13 3HD1 ILE 1 HD13 ILE 1 9.601 -3.460 1.486 14 H ILE 2 HN ILE 2 14.162 -2.972 1.678 15 HA ILE 2 HA ILE 2 16.059 -0.941 1.449 16 HB ILE 2 HB ILE 2 15.926 -2.856 -0.088 17 1HG1 ILE 2 HG12 ILE 2 15.967 -1.276 -2.272 18 2HG1 ILE 2 HG11 ILE 2 16.088 -0.044 -1.020 19 1HG2 ILE 2 HG21 ILE 2 13.795 -1.551 -1.687 20 2HG2 ILE 2 HG22 ILE 2 13.316 -2.462 -0.256 21 3HG2 ILE 2 HG23 ILE 2 14.223 -3.255 -1.544 22 1HD1 ILE 2 HD11 ILE 2 18.094 -1.824 -2.031 23 2HD1 ILE 2 HD12 ILE 2 17.910 -2.025 -0.289 24 3HD1 ILE 2 HD13 ILE 2 18.262 -0.433 -0.961 25 H GLY 3 HN GLY 3 12.593 -0.890 0.904 26 1HA GLY 3 HA2 GLY 3 12.711 2.026 0.752 27 2HA GLY 3 HA1 GLY 3 11.981 1.188 -0.609 28 HA PRO 4 HA PRO 4 9.255 0.821 3.484 29 1HB PRO 4 HB2 PRO 4 9.430 3.694 4.156 30 2HB PRO 4 HB1 PRO 4 9.432 2.289 5.226 31 1HG PRO 4 HG2 PRO 4 11.665 3.690 4.778 32 2HG PRO 4 HG1 PRO 4 11.703 1.926 4.963 33 1HD PRO 4 HD2 PRO 4 11.855 3.576 2.470 34 2HD PRO 4 HD1 PRO 4 12.747 2.102 2.904 35 H VAL 5 HN VAL 5 9.547 3.197 1.035 36 HA VAL 5 HA VAL 5 6.952 4.295 1.064 37 HB VAL 5 HB VAL 5 8.648 3.870 -1.395 38 1HG1 VAL 5 HG11 VAL 5 6.640 4.699 -2.153 39 2HG1 VAL 5 HG12 VAL 5 7.537 6.189 -1.862 40 3HG1 VAL 5 HG13 VAL 5 6.348 5.631 -0.685 41 1HG2 VAL 5 HG21 VAL 5 10.175 4.915 -0.009 42 2HG2 VAL 5 HG22 VAL 5 8.931 5.825 0.848 43 3HG2 VAL 5 HG23 VAL 5 9.390 6.289 -0.790 44 H LEU 6 HN LEU 6 8.325 1.683 -0.932 45 HA LEU 6 HA LEU 6 5.965 0.964 -2.228 46 1HB LEU 6 HB2 LEU 6 8.203 -0.912 -1.474 47 2HB LEU 6 HB1 LEU 6 7.068 -1.098 -2.797 48 HG LEU 6 HG LEU 6 8.783 1.329 -2.809 49 1HD1 LEU 6 HD11 LEU 6 9.842 -1.347 -3.691 50 2HD1 LEU 6 HD12 LEU 6 10.280 -0.574 -2.168 51 3HD1 LEU 6 HD13 LEU 6 10.681 0.205 -3.698 52 1HD2 LEU 6 HD21 LEU 6 6.958 0.503 -4.508 53 2HD2 LEU 6 HD22 LEU 6 8.286 -0.483 -5.119 54 3HD2 LEU 6 HD23 LEU 6 8.440 1.274 -5.072 55 H GLY 7 HN GLY 7 7.139 0.284 0.965 56 1HA GLY 7 HA2 GLY 7 5.311 -1.884 1.464 57 2HA GLY 7 HA1 GLY 7 6.363 -1.106 2.638 58 H LEU 8 HN LEU 8 5.450 1.578 2.152 59 HA LEU 8 HA LEU 8 3.165 1.481 3.830 60 1HB LEU 8 HB2 LEU 8 3.175 4.002 3.575 61 2HB LEU 8 HB1 LEU 8 4.568 3.263 4.334 62 HG LEU 8 HG LEU 8 5.471 3.341 1.850 63 1HD1 LEU 8 HD11 LEU 8 3.173 4.504 1.304 64 2HD1 LEU 8 HD12 LEU 8 4.665 5.024 0.522 65 3HD1 LEU 8 HD13 LEU 8 4.021 5.935 1.887 66 1HD2 LEU 8 HD21 LEU 8 5.492 5.448 3.978 67 2HD2 LEU 8 HD22 LEU 8 6.418 5.637 2.489 68 3HD2 LEU 8 HD23 LEU 8 6.746 4.279 3.566 69 H VAL 9 HN VAL 9 3.705 2.431 0.465 70 HA VAL 9 HA VAL 9 1.058 3.244 -0.066 71 HB VAL 9 HB VAL 9 3.063 2.049 -1.991 72 1HG1 VAL 9 HG11 VAL 9 1.469 2.169 -3.537 73 2HG1 VAL 9 HG12 VAL 9 1.314 3.899 -3.237 74 3HG1 VAL 9 HG13 VAL 9 0.321 2.756 -2.332 75 1HG2 VAL 9 HG21 VAL 9 4.037 3.982 -1.027 76 2HG2 VAL 9 HG22 VAL 9 2.523 4.880 -1.125 77 3HG2 VAL 9 HG23 VAL 9 3.407 4.477 -2.598 78 H GLY 10 HN GLY 10 2.677 0.111 -0.187 79 1HA GLY 10 HA2 GLY 10 0.609 -1.363 -1.407 80 2HA GLY 10 HA1 GLY 10 1.856 -2.027 -0.357 81 H SER 11 HN SER 11 1.050 -0.164 1.814 82 HA SER 11 HA SER 11 -0.884 -1.874 3.048 83 1HB SER 11 HB2 SER 11 1.095 -0.256 4.018 84 2HB SER 11 HB1 SER 11 -0.336 0.725 4.335 85 HG SER 11 HG SER 11 -0.184 -2.007 5.051 86 H ALA 12 HN ALA 12 -0.828 1.477 1.898 87 HA ALA 12 HA ALA 12 -3.566 1.973 2.487 88 1HB ALA 12 HB1 ALA 12 -2.755 3.748 0.470 89 2HB ALA 12 HB2 ALA 12 -1.339 3.469 1.484 90 3HB ALA 12 HB3 ALA 12 -2.837 4.057 2.205 91 H LEU 13 HN LEU 13 -1.901 0.359 0.073 92 HA LEU 13 HA LEU 13 -3.742 0.646 -2.078 93 1HB LEU 13 HB2 LEU 13 -1.312 -0.904 -1.484 94 2HB LEU 13 HB1 LEU 13 -2.409 -1.607 -2.662 95 HG LEU 13 HG LEU 13 -1.289 1.183 -2.866 96 1HD1 LEU 13 HD11 LEU 13 -0.344 -1.405 -4.071 97 2HD1 LEU 13 HD12 LEU 13 0.565 -0.276 -3.068 98 3HD1 LEU 13 HD13 LEU 13 0.099 0.179 -4.706 99 1HD2 LEU 13 HD21 LEU 13 -2.195 -0.167 -5.282 100 2HD2 LEU 13 HD22 LEU 13 -2.552 1.453 -4.686 101 3HD2 LEU 13 HD23 LEU 13 -3.482 0.074 -4.101 102 H GLY 14 HN GLY 14 -3.455 -1.459 0.677 103 1HA GLY 14 HA2 GLY 14 -5.428 -3.336 -0.360 104 2HA GLY 14 HA1 GLY 14 -4.602 -3.437 1.193 105 H GLY 15 HN GLY 15 -5.191 -0.576 1.710 106 1HA GLY 15 HA2 GLY 15 -7.682 -0.966 3.060 107 2HA GLY 15 HA1 GLY 15 -6.717 0.505 3.037 108 H LEU 16 HN LEU 16 -6.630 0.662 0.144 109 HA LEU 16 HA LEU 16 -9.108 2.047 -0.292 110 1HB LEU 16 HB2 LEU 16 -6.482 2.097 -1.357 111 2HB LEU 16 HB1 LEU 16 -7.552 1.697 -2.686 112 HG LEU 16 HG LEU 16 -8.919 3.744 -1.985 113 1HD1 LEU 16 HD11 LEU 16 -7.190 5.447 -0.935 114 2HD1 LEU 16 HD12 LEU 16 -6.551 3.971 -0.211 115 3HD1 LEU 16 HD13 LEU 16 -8.228 4.437 0.072 116 1HD2 LEU 16 HD21 LEU 16 -6.484 4.974 -2.857 117 2HD2 LEU 16 HD22 LEU 16 -7.955 4.641 -3.770 118 3HD2 LEU 16 HD23 LEU 16 -6.689 3.420 -3.665 119 H LEU 17 HN LEU 17 -7.733 -1.018 -0.989 120 HA LEU 17 HA LEU 17 -9.471 -1.734 -3.102 121 1HB LEU 17 HB2 LEU 17 -7.451 -3.197 -1.469 122 2HB LEU 17 HB1 LEU 17 -8.538 -4.069 -2.532 123 HG LEU 17 HG LEU 17 -6.728 -1.856 -3.485 124 1HD1 LEU 17 HD11 LEU 17 -6.130 -4.693 -4.086 125 2HD1 LEU 17 HD12 LEU 17 -5.723 -4.100 -2.476 126 3HD1 LEU 17 HD13 LEU 17 -5.043 -3.316 -3.902 127 1HD2 LEU 17 HD21 LEU 17 -8.513 -2.170 -4.997 128 2HD2 LEU 17 HD22 LEU 17 -8.427 -3.925 -4.853 129 3HD2 LEU 17 HD23 LEU 17 -7.141 -3.044 -5.678 130 H LYS 18 HN LYS 18 -9.601 -1.799 0.311 131 HA LYS 18 HA LYS 18 -11.264 -3.955 0.717 132 1HB LYS 18 HB2 LYS 18 -10.929 -3.381 2.838 133 2HB LYS 18 HB1 LYS 18 -10.104 -1.940 2.274 134 1HG LYS 18 HG2 LYS 18 -12.791 -1.280 2.163 135 2HG LYS 18 HG1 LYS 18 -12.628 -2.214 3.643 136 1HD LYS 18 HD2 LYS 18 -11.953 -0.295 4.571 137 2HD LYS 18 HD1 LYS 18 -10.435 -0.560 3.707 138 1HE LYS 18 HE2 LYS 18 -11.580 0.622 1.740 139 2HE LYS 18 HE1 LYS 18 -12.764 1.167 2.931 140 1HZ LYS 18 HZ1 LYS 18 -9.842 1.629 3.175 141 2HZ LYS 18 HZ2 LYS 18 -11.062 2.283 4.148 142 3HZ LYS 18 HZ3 LYS 18 -10.925 2.757 2.531 143 H LYS 19 HN LYS 19 -12.133 -0.537 0.199 144 HA LYS 19 HA LYS 19 -14.930 -1.314 -0.033 145 1HB LYS 19 HB2 LYS 19 -15.463 0.790 0.559 146 2HB LYS 19 HB1 LYS 19 -13.796 0.860 1.107 147 1HG LYS 19 HG2 LYS 19 -14.848 1.835 -1.534 148 2HG LYS 19 HG1 LYS 19 -14.346 2.828 -0.167 149 1HD LYS 19 HD2 LYS 19 -12.523 0.913 -1.582 150 2HD LYS 19 HD1 LYS 19 -12.660 2.613 -2.019 151 1HE LYS 19 HE2 LYS 19 -12.258 2.186 0.821 152 2HE LYS 19 HE1 LYS 19 -10.955 1.519 -0.161 153 1HZ LYS 19 HZ1 LYS 19 -10.274 3.557 -0.775 154 2HZ LYS 19 HZ2 LYS 19 -11.073 4.063 0.624 155 3HZ LYS 19 HZ3 LYS 19 -11.838 4.188 -0.879 156 H ILE 20 HN ILE 20 -12.265 -0.924 -2.014 157 HA ILE 20 HA ILE 20 -13.139 0.319 -4.277 158 HB ILE 20 HB ILE 20 -10.860 -0.765 -3.778 159 1HG1 ILE 20 HG12 ILE 20 -10.668 -1.220 -6.411 160 2HG1 ILE 20 HG11 ILE 20 -12.239 -0.425 -6.390 161 1HG2 ILE 20 HG21 ILE 20 -12.172 -3.093 -3.815 162 2HG2 ILE 20 HG22 ILE 20 -10.467 -2.952 -4.239 163 3HG2 ILE 20 HG23 ILE 20 -11.688 -3.018 -5.508 164 1HD1 ILE 20 HD11 ILE 20 -9.723 0.774 -6.403 165 2HD1 ILE 20 HD12 ILE 20 -10.364 1.034 -4.781 166 3HD1 ILE 20 HD13 ILE 20 -11.287 1.560 -6.189 Start of MODEL 2 1 1H ILE 1 HT1 ILE 1 13.347 2.380 -4.471 2 2H ILE 1 HT2 ILE 1 12.228 1.240 -5.096 3 3H ILE 1 HT3 ILE 1 13.813 0.743 -4.666 4 HA ILE 1 HA ILE 1 11.657 1.661 -2.894 5 HB ILE 1 HB ILE 1 12.023 -0.578 -1.849 6 1HG1 ILE 1 HG12 ILE 1 13.254 -1.645 -4.310 7 2HG1 ILE 1 HG11 ILE 1 14.321 -0.660 -3.315 8 1HG2 ILE 1 HG21 ILE 1 10.718 -1.792 -3.475 9 2HG2 ILE 1 HG22 ILE 1 11.209 -0.677 -4.749 10 3HG2 ILE 1 HG23 ILE 1 10.186 -0.111 -3.429 11 1HD1 ILE 1 HD11 ILE 1 14.134 -2.111 -1.489 12 2HD1 ILE 1 HD12 ILE 1 14.313 -3.159 -2.897 13 3HD1 ILE 1 HD13 ILE 1 12.724 -2.921 -2.171 14 H ILE 2 HN ILE 2 12.224 2.544 -1.028 15 HA ILE 2 HA ILE 2 15.054 2.816 -0.406 16 HB ILE 2 HB ILE 2 14.261 4.383 1.369 17 1HG1 ILE 2 HG12 ILE 2 11.566 4.419 0.093 18 2HG1 ILE 2 HG11 ILE 2 11.903 3.152 1.268 19 1HG2 ILE 2 HG21 ILE 2 14.928 5.145 -0.872 20 2HG2 ILE 2 HG22 ILE 2 13.681 6.169 -0.160 21 3HG2 ILE 2 HG23 ILE 2 13.254 4.996 -1.406 22 1HD1 ILE 2 HD11 ILE 2 11.977 6.124 1.703 23 2HD1 ILE 2 HD12 ILE 2 12.576 4.947 2.873 24 3HD1 ILE 2 HD13 ILE 2 10.872 4.950 2.418 25 H GLY 3 HN GLY 3 12.248 1.112 0.732 26 1HA GLY 3 HA2 GLY 3 13.254 -0.899 2.086 27 2HA GLY 3 HA1 GLY 3 13.577 0.388 3.238 28 HA PRO 4 HA PRO 4 9.534 0.074 4.934 29 1HB PRO 4 HB2 PRO 4 8.987 2.945 4.617 30 2HB PRO 4 HB1 PRO 4 9.174 1.992 6.092 31 1HG PRO 4 HG2 PRO 4 11.044 3.748 5.316 32 2HG PRO 4 HG1 PRO 4 11.471 2.218 6.107 33 1HD PRO 4 HD2 PRO 4 11.551 2.927 3.194 34 2HD PRO 4 HD1 PRO 4 12.747 2.044 4.168 35 H VAL 5 HN VAL 5 9.853 0.928 1.733 36 HA VAL 5 HA VAL 5 7.403 1.886 0.902 37 HB VAL 5 HB VAL 5 8.989 -0.229 -0.554 38 1HG1 VAL 5 HG11 VAL 5 7.440 0.012 -2.128 39 2HG1 VAL 5 HG12 VAL 5 7.931 1.696 -2.308 40 3HG1 VAL 5 HG13 VAL 5 6.630 1.271 -1.196 41 1HG2 VAL 5 HG21 VAL 5 10.678 1.240 -0.485 42 2HG2 VAL 5 HG22 VAL 5 9.640 2.544 0.092 43 3HG2 VAL 5 HG23 VAL 5 9.726 2.184 -1.632 44 H LEU 6 HN LEU 6 8.359 -1.548 1.148 45 HA LEU 6 HA LEU 6 5.961 -2.717 0.466 46 1HB LEU 6 HB2 LEU 6 6.677 -4.670 1.703 47 2HB LEU 6 HB1 LEU 6 8.033 -3.973 0.838 48 HG LEU 6 HG LEU 6 7.891 -2.908 3.523 49 1HD1 LEU 6 HD11 LEU 6 8.714 -5.244 4.429 50 2HD1 LEU 6 HD12 LEU 6 7.623 -5.847 3.182 51 3HD1 LEU 6 HD13 LEU 6 7.009 -4.793 4.456 52 1HD2 LEU 6 HD21 LEU 6 9.980 -4.649 2.226 53 2HD2 LEU 6 HD22 LEU 6 10.198 -3.527 3.569 54 3HD2 LEU 6 HD23 LEU 6 9.836 -2.913 1.956 55 H GLY 7 HN GLY 7 6.831 -1.055 3.385 56 1HA GLY 7 HA2 GLY 7 4.610 -2.055 4.925 57 2HA GLY 7 HA1 GLY 7 5.698 -0.747 5.380 58 H LEU 8 HN LEU 8 5.291 0.663 2.843 59 HA LEU 8 HA LEU 8 2.983 2.155 3.624 60 1HB LEU 8 HB2 LEU 8 4.508 2.462 1.046 61 2HB LEU 8 HB1 LEU 8 3.537 3.668 1.868 62 HG LEU 8 HG LEU 8 6.135 2.550 2.909 63 1HD1 LEU 8 HD11 LEU 8 6.270 3.969 0.826 64 2HD1 LEU 8 HD12 LEU 8 7.184 4.546 2.220 65 3HD1 LEU 8 HD13 LEU 8 5.645 5.299 1.802 66 1HD2 LEU 8 HD21 LEU 8 5.779 3.662 4.813 67 2HD2 LEU 8 HD22 LEU 8 4.089 3.735 4.315 68 3HD2 LEU 8 HD23 LEU 8 5.171 5.085 3.968 69 H VAL 9 HN VAL 9 3.868 0.152 0.842 70 HA VAL 9 HA VAL 9 1.491 0.373 -0.599 71 HB VAL 9 HB VAL 9 3.194 -2.116 -0.429 72 1HG1 VAL 9 HG11 VAL 9 2.300 -1.719 -3.031 73 2HG1 VAL 9 HG12 VAL 9 0.909 -1.329 -2.018 74 3HG1 VAL 9 HG13 VAL 9 1.693 -2.902 -1.872 75 1HG2 VAL 9 HG21 VAL 9 4.264 -1.043 -2.517 76 2HG2 VAL 9 HG22 VAL 9 4.760 -0.469 -0.924 77 3HG2 VAL 9 HG23 VAL 9 3.615 0.469 -1.882 78 H GLY 10 HN GLY 10 2.403 -1.841 2.015 79 1HA GLY 10 HA2 GLY 10 0.096 -3.456 1.962 80 2HA GLY 10 HA1 GLY 10 1.132 -3.201 3.364 81 H SER 11 HN SER 11 0.724 -0.286 3.230 82 HA SER 11 HA SER 11 -1.682 -0.189 4.811 83 1HB SER 11 HB2 SER 11 0.062 1.150 5.682 84 2HB SER 11 HB1 SER 11 0.441 1.832 4.100 85 HG SER 11 HG SER 11 -2.034 2.259 5.408 86 H ALA 12 HN ALA 12 -0.497 1.151 1.762 87 HA ALA 12 HA ALA 12 -2.913 2.496 1.111 88 1HB ALA 12 HB1 ALA 12 -1.746 3.324 -0.614 89 2HB ALA 12 HB2 ALA 12 -1.271 1.718 -1.167 90 3HB ALA 12 HB3 ALA 12 -0.354 2.520 0.108 91 H LEU 13 HN LEU 13 -1.900 -0.690 1.087 92 HA LEU 13 HA LEU 13 -3.409 -1.764 -1.041 93 1HB LEU 13 HB2 LEU 13 -1.876 -2.756 1.254 94 2HB LEU 13 HB1 LEU 13 -3.171 -3.811 0.715 95 HG LEU 13 HG LEU 13 -0.913 -2.793 -1.003 96 1HD1 LEU 13 HD11 LEU 13 -1.017 -4.945 0.843 97 2HD1 LEU 13 HD12 LEU 13 0.279 -4.508 -0.269 98 3HD1 LEU 13 HD13 LEU 13 -0.985 -5.623 -0.785 99 1HD2 LEU 13 HD21 LEU 13 -3.433 -3.601 -1.799 100 2HD2 LEU 13 HD22 LEU 13 -2.448 -5.051 -1.990 101 3HD2 LEU 13 HD23 LEU 13 -1.983 -3.556 -2.801 102 H GLY 14 HN GLY 14 -4.156 -0.874 2.238 103 1HA GLY 14 HA2 GLY 14 -6.704 -2.283 2.209 104 2HA GLY 14 HA1 GLY 14 -6.068 -1.295 3.521 105 H GLY 15 HN GLY 15 -5.390 0.853 1.591 106 1HA GLY 15 HA2 GLY 15 -7.849 2.293 1.780 107 2HA GLY 15 HA1 GLY 15 -6.353 2.860 1.049 108 H LEU 16 HN LEU 16 -6.003 0.815 -0.851 109 HA LEU 16 HA LEU 16 -7.803 1.719 -2.896 110 1HB LEU 16 HB2 LEU 16 -5.607 -0.347 -2.891 111 2HB LEU 16 HB1 LEU 16 -6.501 0.130 -4.323 112 HG LEU 16 HG LEU 16 -5.247 2.353 -2.849 113 1HD1 LEU 16 HD11 LEU 16 -3.134 1.458 -4.389 114 2HD1 LEU 16 HD12 LEU 16 -3.706 0.003 -3.574 115 3HD1 LEU 16 HD13 LEU 16 -3.239 1.416 -2.629 116 1HD2 LEU 16 HD21 LEU 16 -4.622 1.980 -5.666 117 2HD2 LEU 16 HD22 LEU 16 -5.391 3.338 -4.846 118 3HD2 LEU 16 HD23 LEU 16 -6.356 1.947 -5.341 119 H LEU 17 HN LEU 17 -7.749 -0.765 -0.631 120 HA LEU 17 HA LEU 17 -9.199 -2.726 -2.066 121 1HB LEU 17 HB2 LEU 17 -7.725 -2.665 0.265 122 2HB LEU 17 HB1 LEU 17 -9.362 -2.939 0.809 123 HG LEU 17 HG LEU 17 -7.995 -5.008 0.444 124 1HD1 LEU 17 HD11 LEU 17 -10.688 -4.446 -0.318 125 2HD1 LEU 17 HD12 LEU 17 -10.005 -5.926 0.356 126 3HD1 LEU 17 HD13 LEU 17 -10.024 -5.680 -1.390 127 1HD2 LEU 17 HD21 LEU 17 -7.444 -3.767 -2.021 128 2HD2 LEU 17 HD22 LEU 17 -8.409 -5.199 -2.380 129 3HD2 LEU 17 HD23 LEU 17 -6.913 -5.352 -1.459 130 H LYS 18 HN LYS 18 -9.938 0.030 -0.186 131 HA LYS 18 HA LYS 18 -12.409 -0.619 0.801 132 1HB LYS 18 HB2 LYS 18 -12.401 1.474 1.581 133 2HB LYS 18 HB1 LYS 18 -10.811 1.595 0.853 134 1HG LYS 18 HG2 LYS 18 -12.410 2.290 -1.234 135 2HG LYS 18 HG1 LYS 18 -13.325 2.910 0.136 136 1HD LYS 18 HD2 LYS 18 -11.979 4.689 0.024 137 2HD LYS 18 HD1 LYS 18 -10.733 3.645 0.712 138 1HE LYS 18 HE2 LYS 18 -9.591 4.263 -1.134 139 2HE LYS 18 HE1 LYS 18 -10.523 2.957 -1.877 140 1HZ LYS 18 HZ1 LYS 18 -10.686 4.892 -3.245 141 2HZ LYS 18 HZ2 LYS 18 -11.143 5.865 -1.938 142 3HZ LYS 18 HZ3 LYS 18 -12.191 4.665 -2.505 143 H LYS 19 HN LYS 19 -11.740 0.981 -2.343 144 HA LYS 19 HA LYS 19 -14.509 0.426 -3.064 145 1HB LYS 19 HB2 LYS 19 -14.379 1.949 -4.812 146 2HB LYS 19 HB1 LYS 19 -13.485 2.679 -3.487 147 1HG LYS 19 HG2 LYS 19 -12.005 1.088 -5.511 148 2HG LYS 19 HG1 LYS 19 -12.541 2.727 -5.905 149 1HD LYS 19 HD2 LYS 19 -10.895 3.588 -4.698 150 2HD LYS 19 HD1 LYS 19 -11.486 2.706 -3.283 151 1HE LYS 19 HE2 LYS 19 -9.545 1.622 -3.346 152 2HE LYS 19 HE1 LYS 19 -10.222 0.751 -4.719 153 1HZ LYS 19 HZ1 LYS 19 -8.394 1.507 -5.745 154 2HZ LYS 19 HZ2 LYS 19 -8.154 2.776 -4.654 155 3HZ LYS 19 HZ3 LYS 19 -9.274 2.945 -5.909 156 H ILE 20 HN ILE 20 -11.328 -0.693 -3.687 157 HA ILE 20 HA ILE 20 -11.140 -1.797 -6.074 158 HB ILE 20 HB ILE 20 -9.754 -2.344 -3.964 159 1HG1 ILE 20 HG12 ILE 20 -8.928 -4.479 -5.073 160 2HG1 ILE 20 HG11 ILE 20 -10.245 -4.284 -6.225 161 1HG2 ILE 20 HG21 ILE 20 -11.287 -4.911 -3.989 162 2HG2 ILE 20 HG22 ILE 20 -11.802 -3.568 -2.970 163 3HG2 ILE 20 HG23 ILE 20 -10.199 -4.271 -2.758 164 1HD1 ILE 20 HD11 ILE 20 -8.258 -3.408 -7.197 165 2HD1 ILE 20 HD12 ILE 20 -7.929 -2.422 -5.772 166 3HD1 ILE 20 HD13 ILE 20 -9.311 -2.050 -6.802 Start of MODEL 3 1 1H ILE 1 HT1 ILE 1 19.453 2.129 2.210 2 2H ILE 1 HT2 ILE 1 19.387 0.440 1.914 3 3H ILE 1 HT3 ILE 1 19.694 1.025 3.499 4 HA ILE 1 HA ILE 1 17.551 0.564 3.727 5 HB ILE 1 HB ILE 1 17.289 3.230 2.336 6 1HG1 ILE 1 HG12 ILE 1 17.584 3.338 5.224 7 2HG1 ILE 1 HG11 ILE 1 18.998 2.618 4.463 8 1HG2 ILE 1 HG21 ILE 1 15.635 1.695 4.290 9 2HG2 ILE 1 HG22 ILE 1 15.141 2.571 2.841 10 3HG2 ILE 1 HG23 ILE 1 15.587 3.458 4.298 11 1HD1 ILE 1 HD11 ILE 1 19.715 4.604 3.810 12 2HD1 ILE 1 HD12 ILE 1 18.393 5.327 4.727 13 3HD1 ILE 1 HD13 ILE 1 18.179 4.954 3.017 14 H ILE 2 HN ILE 2 16.315 -0.876 2.755 15 HA ILE 2 HA ILE 2 16.125 -1.183 -0.041 16 HB ILE 2 HB ILE 2 14.164 -2.278 1.968 17 1HG1 ILE 2 HG12 ILE 2 16.171 -4.189 1.313 18 2HG1 ILE 2 HG11 ILE 2 16.988 -2.716 1.827 19 1HG2 ILE 2 HG21 ILE 2 13.319 -3.432 0.271 20 2HG2 ILE 2 HG22 ILE 2 14.913 -4.038 -0.177 21 3HG2 ILE 2 HG23 ILE 2 14.344 -2.496 -0.817 22 1HD1 ILE 2 HD11 ILE 2 15.087 -2.939 3.736 23 2HD1 ILE 2 HD12 ILE 2 16.725 -3.579 3.870 24 3HD1 ILE 2 HD13 ILE 2 15.404 -4.635 3.369 25 H GLY 3 HN GLY 3 14.393 0.809 2.169 26 1HA GLY 3 HA2 GLY 3 12.971 2.568 1.550 27 2HA GLY 3 HA1 GLY 3 12.783 1.829 -0.033 28 HA PRO 4 HA PRO 4 9.680 -0.135 3.204 29 1HB PRO 4 HB2 PRO 4 8.913 2.322 4.622 30 2HB PRO 4 HB1 PRO 4 9.322 0.731 5.270 31 1HG PRO 4 HG2 PRO 4 10.975 2.818 5.559 32 2HG PRO 4 HG1 PRO 4 11.589 1.174 5.292 33 1HD PRO 4 HD2 PRO 4 11.282 3.419 3.322 34 2HD PRO 4 HD1 PRO 4 12.651 2.308 3.555 35 H VAL 5 HN VAL 5 9.619 2.225 0.943 36 HA VAL 5 HA VAL 5 7.098 3.349 0.929 37 HB VAL 5 HB VAL 5 8.457 2.326 -1.558 38 1HG1 VAL 5 HG11 VAL 5 7.049 4.939 -1.354 39 2HG1 VAL 5 HG12 VAL 5 6.085 3.465 -1.434 40 3HG1 VAL 5 HG13 VAL 5 7.217 3.850 -2.730 41 1HG2 VAL 5 HG21 VAL 5 9.309 4.891 -1.357 42 2HG2 VAL 5 HG22 VAL 5 10.251 3.488 -0.855 43 3HG2 VAL 5 HG23 VAL 5 9.325 4.400 0.337 44 H LEU 6 HN LEU 6 8.080 0.326 -0.695 45 HA LEU 6 HA LEU 6 5.625 -0.461 -1.664 46 1HB LEU 6 HB2 LEU 6 6.518 -2.802 -1.485 47 2HB LEU 6 HB1 LEU 6 7.542 -1.666 -2.342 48 HG LEU 6 HG LEU 6 8.579 -1.453 0.148 49 1HD1 LEU 6 HD11 LEU 6 8.823 -4.021 0.710 50 2HD1 LEU 6 HD12 LEU 6 7.227 -4.091 -0.036 51 3HD1 LEU 6 HD13 LEU 6 7.501 -3.053 1.363 52 1HD2 LEU 6 HD21 LEU 6 9.952 -3.610 -0.949 53 2HD2 LEU 6 HD22 LEU 6 10.294 -1.898 -1.195 54 3HD2 LEU 6 HD23 LEU 6 9.264 -2.764 -2.335 55 H GLY 7 HN GLY 7 6.793 -0.506 1.600 56 1HA GLY 7 HA2 GLY 7 4.854 -2.363 2.599 57 2HA GLY 7 HA1 GLY 7 5.880 -1.303 3.560 58 H LEU 8 HN LEU 8 4.984 1.048 1.990 59 HA LEU 8 HA LEU 8 2.730 1.684 3.625 60 1HB LEU 8 HB2 LEU 8 3.773 3.361 1.359 61 2HB LEU 8 HB1 LEU 8 2.923 3.894 2.797 62 HG LEU 8 HG LEU 8 5.669 2.665 2.910 63 1HD1 LEU 8 HD11 LEU 8 5.005 5.602 2.833 64 2HD1 LEU 8 HD12 LEU 8 5.659 4.689 1.473 65 3HD1 LEU 8 HD13 LEU 8 6.606 4.871 2.950 66 1HD2 LEU 8 HD21 LEU 8 4.026 2.910 4.928 67 2HD2 LEU 8 HD22 LEU 8 4.519 4.603 4.864 68 3HD2 LEU 8 HD23 LEU 8 5.727 3.341 5.108 69 H VAL 9 HN VAL 9 3.303 1.324 0.143 70 HA VAL 9 HA VAL 9 0.678 1.842 -0.703 71 HB VAL 9 HB VAL 9 2.658 -0.036 -2.007 72 1HG1 VAL 9 HG11 VAL 9 0.052 1.128 -2.824 73 2HG1 VAL 9 HG12 VAL 9 0.755 -0.447 -3.194 74 3HG1 VAL 9 HG13 VAL 9 1.312 0.990 -4.051 75 1HG2 VAL 9 HG21 VAL 9 3.291 2.459 -1.473 76 2HG2 VAL 9 HG22 VAL 9 2.267 2.789 -2.871 77 3HG2 VAL 9 HG23 VAL 9 3.677 1.743 -3.038 78 H GLY 10 HN GLY 10 2.268 -1.123 0.368 79 1HA GLY 10 HA2 GLY 10 0.190 -2.922 -0.248 80 2HA GLY 10 HA1 GLY 10 1.424 -3.168 0.984 81 H SER 11 HN SER 11 0.665 -0.679 2.367 82 HA SER 11 HA SER 11 -1.394 -1.806 4.027 83 1HB SER 11 HB2 SER 11 0.701 -0.060 4.484 84 2HB SER 11 HB1 SER 11 -0.707 1.001 4.535 85 HG SER 11 HG SER 11 -0.521 -1.427 5.987 86 H ALA 12 HN ALA 12 -1.041 0.951 1.851 87 HA ALA 12 HA ALA 12 -3.742 1.817 2.154 88 1HB ALA 12 HB1 ALA 12 -1.592 3.099 1.292 89 2HB ALA 12 HB2 ALA 12 -3.212 3.542 0.753 90 3HB ALA 12 HB3 ALA 12 -2.187 2.535 -0.270 91 H LEU 13 HN LEU 13 -2.332 -0.782 0.687 92 HA LEU 13 HA LEU 13 -3.942 -1.022 -1.652 93 1HB LEU 13 HB2 LEU 13 -2.557 -2.725 -2.124 94 2HB LEU 13 HB1 LEU 13 -1.646 -2.207 -0.717 95 HG LEU 13 HG LEU 13 -3.097 -3.834 0.623 96 1HD1 LEU 13 HD11 LEU 13 -4.722 -4.918 -0.426 97 2HD1 LEU 13 HD12 LEU 13 -3.527 -5.688 -1.468 98 3HD1 LEU 13 HD13 LEU 13 -4.272 -4.166 -1.956 99 1HD2 LEU 13 HD21 LEU 13 -1.049 -4.737 0.550 100 2HD2 LEU 13 HD22 LEU 13 -0.829 -4.336 -1.152 101 3HD2 LEU 13 HD23 LEU 13 -1.713 -5.791 -0.696 102 H GLY 14 HN GLY 14 -4.259 -1.892 1.710 103 1HA GLY 14 HA2 GLY 14 -6.537 -3.632 1.208 104 2HA GLY 14 HA1 GLY 14 -5.864 -3.212 2.781 105 H GLY 15 HN GLY 15 -5.827 -0.369 2.137 106 1HA GLY 15 HA2 GLY 15 -8.471 0.265 3.034 107 2HA GLY 15 HA1 GLY 15 -7.164 1.397 2.723 108 H LEU 16 HN LEU 16 -6.736 0.460 -0.010 109 HA LEU 16 HA LEU 16 -8.701 2.099 -1.298 110 1HB LEU 16 HB2 LEU 16 -6.384 2.157 -2.032 111 2HB LEU 16 HB1 LEU 16 -6.436 0.444 -2.404 112 HG LEU 16 HG LEU 16 -8.428 2.128 -3.798 113 1HD1 LEU 16 HD11 LEU 16 -6.876 3.667 -4.350 114 2HD1 LEU 16 HD12 LEU 16 -6.379 2.434 -5.509 115 3HD1 LEU 16 HD13 LEU 16 -5.525 2.598 -3.975 116 1HD2 LEU 16 HD21 LEU 16 -6.695 -0.237 -4.416 117 2HD2 LEU 16 HD22 LEU 16 -7.516 0.655 -5.697 118 3HD2 LEU 16 HD23 LEU 16 -8.455 -0.115 -4.417 119 H LEU 17 HN LEU 17 -8.314 -1.196 -0.596 120 HA LEU 17 HA LEU 17 -9.850 -2.258 -2.718 121 1HB LEU 17 HB2 LEU 17 -8.785 -3.364 -0.158 122 2HB LEU 17 HB1 LEU 17 -9.928 -4.282 -1.118 123 HG LEU 17 HG LEU 17 -7.364 -3.245 -2.295 124 1HD1 LEU 17 HD11 LEU 17 -7.833 -5.829 -0.823 125 2HD1 LEU 17 HD12 LEU 17 -6.661 -4.571 -0.439 126 3HD1 LEU 17 HD13 LEU 17 -6.466 -5.539 -1.898 127 1HD2 LEU 17 HD21 LEU 17 -9.570 -4.399 -3.441 128 2HD2 LEU 17 HD22 LEU 17 -8.488 -5.771 -3.217 129 3HD2 LEU 17 HD23 LEU 17 -7.951 -4.364 -4.135 130 H LYS 18 HN LYS 18 -10.517 -0.807 0.299 131 HA LYS 18 HA LYS 18 -12.920 -2.036 0.905 132 1HB LYS 18 HB2 LYS 18 -12.854 -0.734 2.715 133 2HB LYS 18 HB1 LYS 18 -11.331 -0.131 2.088 134 1HG LYS 18 HG2 LYS 18 -13.329 1.391 0.843 135 2HG LYS 18 HG1 LYS 18 -13.800 1.252 2.531 136 1HD LYS 18 HD2 LYS 18 -12.336 2.851 3.009 137 2HD LYS 18 HD1 LYS 18 -11.039 1.758 2.525 138 1HE LYS 18 HE2 LYS 18 -10.561 3.250 0.932 139 2HE LYS 18 HE1 LYS 18 -12.026 2.691 0.119 140 1HZ LYS 18 HZ1 LYS 18 -13.198 4.421 1.569 141 2HZ LYS 18 HZ2 LYS 18 -12.275 4.994 0.274 142 3HZ LYS 18 HZ3 LYS 18 -11.659 5.068 1.845 143 H LYS 19 HN LYS 19 -12.313 0.947 -0.946 144 HA LYS 19 HA LYS 19 -15.136 1.067 -1.646 145 1HB LYS 19 HB2 LYS 19 -14.844 3.267 -2.054 146 2HB LYS 19 HB1 LYS 19 -13.400 3.044 -1.083 147 1HG LYS 19 HG2 LYS 19 -13.567 3.061 -4.080 148 2HG LYS 19 HG1 LYS 19 -12.872 4.311 -3.053 149 1HD LYS 19 HD2 LYS 19 -11.861 1.493 -3.050 150 2HD LYS 19 HD1 LYS 19 -11.263 2.688 -4.194 151 1HE LYS 19 HE2 LYS 19 -10.818 2.409 -1.289 152 2HE LYS 19 HE1 LYS 19 -9.726 2.949 -2.560 153 1HZ LYS 19 HZ1 LYS 19 -10.308 4.736 -1.021 154 2HZ LYS 19 HZ2 LYS 19 -11.940 4.571 -1.429 155 3HZ LYS 19 HZ3 LYS 19 -10.827 5.080 -2.594 156 H ILE 20 HN ILE 20 -12.318 -0.282 -2.832 157 HA ILE 20 HA ILE 20 -12.362 0.042 -5.545 158 HB ILE 20 HB ILE 20 -10.836 -1.403 -3.963 159 1HG1 ILE 20 HG12 ILE 20 -10.454 -0.771 -6.363 160 2HG1 ILE 20 HG11 ILE 20 -9.766 -2.323 -5.900 161 1HG2 ILE 20 HG21 ILE 20 -12.751 -3.060 -3.635 162 2HG2 ILE 20 HG22 ILE 20 -11.162 -3.723 -4.001 163 3HG2 ILE 20 HG23 ILE 20 -12.386 -3.624 -5.264 164 1HD1 ILE 20 HD11 ILE 20 -10.863 -3.314 -7.537 165 2HD1 ILE 20 HD12 ILE 20 -11.506 -1.748 -8.033 166 3HD1 ILE 20 HD13 ILE 20 -12.401 -2.747 -6.889 Start of MODEL 4 1 1H ILE 1 HT1 ILE 1 17.269 -1.475 4.482 2 2H ILE 1 HT2 ILE 1 18.393 -0.739 3.414 3 3H ILE 1 HT3 ILE 1 18.172 -2.441 3.392 4 HA ILE 1 HA ILE 1 17.115 -1.180 1.569 5 HB ILE 1 HB ILE 1 14.885 -2.400 1.884 6 1HG1 ILE 1 HG12 ILE 1 16.338 -3.591 4.252 7 2HG1 ILE 1 HG11 ILE 1 15.070 -2.379 4.404 8 1HG2 ILE 1 HG21 ILE 1 17.593 -3.645 1.808 9 2HG2 ILE 1 HG22 ILE 1 16.374 -3.518 0.540 10 3HG2 ILE 1 HG23 ILE 1 16.165 -4.680 1.850 11 1HD1 ILE 1 HD11 ILE 1 13.587 -4.014 4.429 12 2HD1 ILE 1 HD12 ILE 1 14.843 -5.208 4.102 13 3HD1 ILE 1 HD13 ILE 1 14.027 -4.399 2.765 14 H ILE 2 HN ILE 2 16.949 1.067 1.898 15 HA ILE 2 HA ILE 2 14.852 2.085 3.624 16 HB ILE 2 HB ILE 2 16.599 3.637 1.711 17 1HG1 ILE 2 HG12 ILE 2 17.180 3.721 4.602 18 2HG1 ILE 2 HG11 ILE 2 17.536 2.184 3.821 19 1HG2 ILE 2 HG21 ILE 2 15.841 5.561 2.704 20 2HG2 ILE 2 HG22 ILE 2 15.404 4.745 4.205 21 3HG2 ILE 2 HG23 ILE 2 14.389 4.562 2.775 22 1HD1 ILE 2 HD11 ILE 2 19.286 4.182 3.973 23 2HD1 ILE 2 HD12 ILE 2 18.498 4.616 2.456 24 3HD1 ILE 2 HD13 ILE 2 19.256 3.034 2.635 25 H GLY 3 HN GLY 3 13.469 0.592 2.058 26 1HA GLY 3 HA2 GLY 3 12.244 2.439 0.112 27 2HA GLY 3 HA1 GLY 3 12.550 0.763 -0.318 28 HA PRO 4 HA PRO 4 9.113 0.667 3.100 29 1HB PRO 4 HB2 PRO 4 8.235 3.464 3.280 30 2HB PRO 4 HB1 PRO 4 8.647 2.331 4.571 31 1HG PRO 4 HG2 PRO 4 10.241 4.400 3.971 32 2HG PRO 4 HG1 PRO 4 10.900 2.830 4.473 33 1HD PRO 4 HD2 PRO 4 10.641 3.972 1.708 34 2HD PRO 4 HD1 PRO 4 12.020 3.130 2.451 35 H VAL 5 HN VAL 5 9.120 2.054 0.075 36 HA VAL 5 HA VAL 5 6.517 2.820 -0.448 37 HB VAL 5 HB VAL 5 8.192 1.201 -2.363 38 1HG1 VAL 5 HG11 VAL 5 7.058 2.572 -4.061 39 2HG1 VAL 5 HG12 VAL 5 6.114 3.346 -2.788 40 3HG1 VAL 5 HG13 VAL 5 5.922 1.622 -3.105 41 1HG2 VAL 5 HG21 VAL 5 8.503 4.015 -1.420 42 2HG2 VAL 5 HG22 VAL 5 8.888 3.615 -3.093 43 3HG2 VAL 5 HG23 VAL 5 9.735 2.805 -1.775 44 H LEU 6 HN LEU 6 7.895 -0.447 -0.888 45 HA LEU 6 HA LEU 6 5.521 -1.714 -1.596 46 1HB LEU 6 HB2 LEU 6 8.025 -2.722 -0.272 47 2HB LEU 6 HB1 LEU 6 6.687 -3.791 -0.650 48 HG LEU 6 HG LEU 6 7.264 -2.345 -3.014 49 1HD1 LEU 6 HD11 LEU 6 9.426 -1.756 -2.389 50 2HD1 LEU 6 HD12 LEU 6 9.650 -3.256 -3.290 51 3HD1 LEU 6 HD13 LEU 6 9.693 -3.271 -1.527 52 1HD2 LEU 6 HD21 LEU 6 8.224 -5.128 -2.645 53 2HD2 LEU 6 HD22 LEU 6 7.275 -4.418 -3.951 54 3HD2 LEU 6 HD23 LEU 6 6.504 -4.814 -2.415 55 H GLY 7 HN GLY 7 6.752 -0.726 1.497 56 1HA GLY 7 HA2 GLY 7 4.913 -2.334 3.029 57 2HA GLY 7 HA1 GLY 7 6.001 -1.101 3.652 58 H LEU 8 HN LEU 8 5.170 1.037 1.999 59 HA LEU 8 HA LEU 8 2.852 1.800 3.460 60 1HB LEU 8 HB2 LEU 8 3.039 3.949 2.192 61 2HB LEU 8 HB1 LEU 8 4.440 3.510 3.147 62 HG LEU 8 HG LEU 8 5.138 2.442 0.801 63 1HD1 LEU 8 HD11 LEU 8 2.922 3.568 -0.057 64 2HD1 LEU 8 HD12 LEU 8 4.382 3.561 -1.047 65 3HD1 LEU 8 HD13 LEU 8 3.946 5.002 -0.128 66 1HD2 LEU 8 HD21 LEU 8 6.292 4.747 0.432 67 2HD2 LEU 8 HD22 LEU 8 6.691 3.787 1.856 68 3HD2 LEU 8 HD23 LEU 8 5.573 5.143 1.993 69 H VAL 9 HN VAL 9 3.543 1.277 0.020 70 HA VAL 9 HA VAL 9 0.936 1.821 -0.897 71 HB VAL 9 HB VAL 9 2.970 -0.054 -2.120 72 1HG1 VAL 9 HG11 VAL 9 1.389 -0.506 -3.621 73 2HG1 VAL 9 HG12 VAL 9 1.406 1.193 -4.092 74 3HG1 VAL 9 HG13 VAL 9 0.278 0.631 -2.858 75 1HG2 VAL 9 HG21 VAL 9 3.117 2.168 -3.615 76 2HG2 VAL 9 HG22 VAL 9 4.152 1.876 -2.217 77 3HG2 VAL 9 HG23 VAL 9 2.718 2.890 -2.056 78 H GLY 10 HN GLY 10 2.457 -1.062 0.410 79 1HA GLY 10 HA2 GLY 10 0.430 -2.915 -0.272 80 2HA GLY 10 HA1 GLY 10 1.600 -3.102 1.031 81 H SER 11 HN SER 11 0.780 -0.577 2.283 82 HA SER 11 HA SER 11 -1.351 -1.631 3.894 83 1HB SER 11 HB2 SER 11 0.682 -0.091 4.582 84 2HB SER 11 HB1 SER 11 -0.418 1.208 4.120 85 HG SER 11 HG SER 11 -1.465 0.893 5.905 86 H ALA 12 HN ALA 12 -0.921 1.081 1.663 87 HA ALA 12 HA ALA 12 -3.619 1.960 1.837 88 1HB ALA 12 HB1 ALA 12 -2.956 3.690 0.562 89 2HB ALA 12 HB2 ALA 12 -2.161 2.640 -0.611 90 3HB ALA 12 HB3 ALA 12 -1.333 3.078 0.884 91 H LEU 13 HN LEU 13 -2.016 -0.525 0.249 92 HA LEU 13 HA LEU 13 -3.651 -0.867 -2.028 93 1HB LEU 13 HB2 LEU 13 -1.560 -2.352 -0.608 94 2HB LEU 13 HB1 LEU 13 -2.693 -3.343 -1.511 95 HG LEU 13 HG LEU 13 -1.159 -1.049 -2.716 96 1HD1 LEU 13 HD11 LEU 13 -0.037 -3.194 -3.835 97 2HD1 LEU 13 HD12 LEU 13 -0.418 -3.875 -2.253 98 3HD1 LEU 13 HD13 LEU 13 0.598 -2.438 -2.374 99 1HD2 LEU 13 HD21 LEU 13 -2.268 -3.309 -4.285 100 2HD2 LEU 13 HD22 LEU 13 -2.077 -1.610 -4.721 101 3HD2 LEU 13 HD23 LEU 13 -3.401 -2.107 -3.666 102 H GLY 14 HN GLY 14 -3.886 -1.891 1.304 103 1HA GLY 14 HA2 GLY 14 -6.145 -3.646 0.729 104 2HA GLY 14 HA1 GLY 14 -5.412 -3.367 2.307 105 H GLY 15 HN GLY 15 -5.435 -0.458 1.878 106 1HA GLY 15 HA2 GLY 15 -8.026 0.056 2.981 107 2HA GLY 15 HA1 GLY 15 -6.758 1.234 2.678 108 H LEU 16 HN LEU 16 -6.478 0.572 -0.147 109 HA LEU 16 HA LEU 16 -8.592 2.233 -1.148 110 1HB LEU 16 HB2 LEU 16 -5.996 1.716 -1.912 111 2HB LEU 16 HB1 LEU 16 -6.929 0.871 -3.131 112 HG LEU 16 HG LEU 16 -7.633 3.701 -2.494 113 1HD1 LEU 16 HD11 LEU 16 -5.883 3.822 -4.656 114 2HD1 LEU 16 HD12 LEU 16 -5.050 2.845 -3.448 115 3HD1 LEU 16 HD13 LEU 16 -5.620 4.461 -3.033 116 1HD2 LEU 16 HD21 LEU 16 -8.762 3.618 -4.436 117 2HD2 LEU 16 HD22 LEU 16 -8.660 1.872 -4.208 118 3HD2 LEU 16 HD23 LEU 16 -7.500 2.694 -5.251 119 H LEU 17 HN LEU 17 -7.936 -1.105 -0.875 120 HA LEU 17 HA LEU 17 -9.656 -2.005 -2.929 121 1HB LEU 17 HB2 LEU 17 -7.620 -3.112 -1.518 122 2HB LEU 17 HB1 LEU 17 -9.010 -3.876 -0.782 123 HG LEU 17 HG LEU 17 -7.908 -5.143 -2.668 124 1HD1 LEU 17 HD11 LEU 17 -10.823 -4.459 -2.662 125 2HD1 LEU 17 HD12 LEU 17 -10.020 -5.904 -2.052 126 3HD1 LEU 17 HD13 LEU 17 -10.154 -5.636 -3.790 127 1HD2 LEU 17 HD21 LEU 17 -8.123 -2.716 -3.997 128 2HD2 LEU 17 HD22 LEU 17 -9.354 -3.736 -4.742 129 3HD2 LEU 17 HD23 LEU 17 -7.674 -4.270 -4.699 130 H LYS 18 HN LYS 18 -9.998 -1.087 0.346 131 HA LYS 18 HA LYS 18 -12.203 -2.614 1.032 132 1HB LYS 18 HB2 LYS 18 -11.808 -1.682 3.010 133 2HB LYS 18 HB1 LYS 18 -10.595 -0.669 2.250 134 1HG LYS 18 HG2 LYS 18 -12.995 0.615 1.727 135 2HG LYS 18 HG1 LYS 18 -13.154 0.035 3.379 136 1HD LYS 18 HD2 LYS 18 -12.017 1.872 3.955 137 2HD LYS 18 HD1 LYS 18 -10.596 1.049 3.306 138 1HE LYS 18 HE2 LYS 18 -10.449 2.911 2.035 139 2HE LYS 18 HE1 LYS 18 -11.617 2.046 1.034 140 1HZ LYS 18 HZ1 LYS 18 -12.314 4.025 3.139 141 2HZ LYS 18 HZ2 LYS 18 -13.399 3.242 2.105 142 3HZ LYS 18 HZ3 LYS 18 -12.281 4.346 1.478 143 H LYS 19 HN LYS 19 -12.068 0.715 -0.248 144 HA LYS 19 HA LYS 19 -14.957 0.662 -0.599 145 1HB LYS 19 HB2 LYS 19 -14.916 2.911 -0.513 146 2HB LYS 19 HB1 LYS 19 -13.333 2.657 0.204 147 1HG LYS 19 HG2 LYS 19 -13.933 3.322 -2.663 148 2HG LYS 19 HG1 LYS 19 -13.188 4.369 -1.457 149 1HD LYS 19 HD2 LYS 19 -11.991 1.758 -2.315 150 2HD LYS 19 HD1 LYS 19 -11.617 3.282 -3.112 151 1HE LYS 19 HE2 LYS 19 -11.392 3.485 -0.246 152 2HE LYS 19 HE1 LYS 19 -10.388 2.183 -0.883 153 1HZ LYS 19 HZ1 LYS 19 -9.577 3.890 -2.545 154 2HZ LYS 19 HZ2 LYS 19 -9.062 4.103 -0.948 155 3HZ LYS 19 HZ3 LYS 19 -10.307 5.063 -1.569 156 H ILE 20 HN ILE 20 -12.251 -0.163 -2.340 157 HA ILE 20 HA ILE 20 -12.588 0.745 -4.881 158 HB ILE 20 HB ILE 20 -10.827 -0.869 -3.915 159 1HG1 ILE 20 HG12 ILE 20 -11.331 -1.845 -6.621 160 2HG1 ILE 20 HG11 ILE 20 -11.512 -0.098 -6.489 161 1HG2 ILE 20 HG21 ILE 20 -11.120 -3.148 -4.066 162 2HG2 ILE 20 HG22 ILE 20 -12.425 -3.013 -5.244 163 3HG2 ILE 20 HG23 ILE 20 -12.721 -2.621 -3.550 164 1HD1 ILE 20 HD11 ILE 20 -9.124 -1.703 -6.528 165 2HD1 ILE 20 HD12 ILE 20 -9.177 -0.664 -5.104 166 3HD1 ILE 20 HD13 ILE 20 -9.317 0.040 -6.715 Start of MODEL 5 1 1H ILE 1 HT1 ILE 1 14.041 -1.888 6.291 2 2H ILE 1 HT2 ILE 1 12.733 -2.995 6.184 3 3H ILE 1 HT3 ILE 1 12.429 -1.307 6.235 4 HA ILE 1 HA ILE 1 13.704 -2.857 4.089 5 HB ILE 1 HB ILE 1 11.276 -1.074 3.988 6 1HG1 ILE 1 HG12 ILE 1 10.272 -3.577 3.693 7 2HG1 ILE 1 HG11 ILE 1 11.558 -3.889 4.854 8 1HG2 ILE 1 HG21 ILE 1 11.384 -1.391 1.797 9 2HG2 ILE 1 HG22 ILE 1 11.333 -3.139 2.025 10 3HG2 ILE 1 HG23 ILE 1 12.882 -2.296 2.011 11 1HD1 ILE 1 HD11 ILE 1 10.500 -1.832 6.090 12 2HD1 ILE 1 HD12 ILE 1 9.814 -3.449 6.254 13 3HD1 ILE 1 HD13 ILE 1 9.077 -2.285 5.152 14 H ILE 2 HN ILE 2 14.789 -1.758 2.517 15 HA ILE 2 HA ILE 2 15.929 0.754 3.197 16 HB ILE 2 HB ILE 2 15.981 -0.582 0.490 17 1HG1 ILE 2 HG12 ILE 2 18.218 -0.884 2.435 18 2HG1 ILE 2 HG11 ILE 2 16.777 -1.861 2.694 19 1HG2 ILE 2 HG21 ILE 2 18.358 0.844 1.323 20 2HG2 ILE 2 HG22 ILE 2 16.937 1.889 1.308 21 3HG2 ILE 2 HG23 ILE 2 17.400 1.009 -0.148 22 1HD1 ILE 2 HD11 ILE 2 18.774 -1.964 0.503 23 2HD1 ILE 2 HD12 ILE 2 17.108 -2.422 0.148 24 3HD1 ILE 2 HD13 ILE 2 18.009 -3.273 1.403 25 H GLY 3 HN GLY 3 13.283 -0.255 1.138 26 1HA GLY 3 HA2 GLY 3 12.679 2.594 0.635 27 2HA GLY 3 HA1 GLY 3 12.500 1.378 -0.623 28 HA PRO 4 HA PRO 4 9.082 0.695 2.828 29 1HB PRO 4 HB2 PRO 4 8.715 3.504 3.652 30 2HB PRO 4 HB1 PRO 4 8.765 2.041 4.639 31 1HG PRO 4 HG2 PRO 4 10.793 3.782 4.645 32 2HG PRO 4 HG1 PRO 4 11.077 2.034 4.749 33 1HD PRO 4 HD2 PRO 4 11.340 3.860 2.386 34 2HD PRO 4 HD1 PRO 4 12.401 2.534 2.909 35 H VAL 5 HN VAL 5 9.450 3.018 0.386 36 HA VAL 5 HA VAL 5 6.877 4.033 0.074 37 HB VAL 5 HB VAL 5 8.686 3.280 -2.219 38 1HG1 VAL 5 HG11 VAL 5 7.614 5.035 -3.412 39 2HG1 VAL 5 HG12 VAL 5 6.792 5.606 -1.960 40 3HG1 VAL 5 HG13 VAL 5 6.340 4.061 -2.679 41 1HG2 VAL 5 HG21 VAL 5 8.869 5.551 -0.271 42 2HG2 VAL 5 HG22 VAL 5 9.483 5.712 -1.916 43 3HG2 VAL 5 HG23 VAL 5 10.142 4.474 -0.846 44 H LEU 6 HN LEU 6 8.297 1.156 -1.473 45 HA LEU 6 HA LEU 6 5.919 0.321 -2.709 46 1HB LEU 6 HB2 LEU 6 8.429 -1.144 -1.929 47 2HB LEU 6 HB1 LEU 6 7.098 -1.945 -2.744 48 HG LEU 6 HG LEU 6 8.053 0.514 -4.057 49 1HD1 LEU 6 HD11 LEU 6 10.153 -0.531 -3.187 50 2HD1 LEU 6 HD12 LEU 6 10.055 -0.417 -4.944 51 3HD1 LEU 6 HD13 LEU 6 9.763 -1.961 -4.143 52 1HD2 LEU 6 HD21 LEU 6 7.402 -2.282 -4.976 53 2HD2 LEU 6 HD22 LEU 6 7.838 -0.946 -6.042 54 3HD2 LEU 6 HD23 LEU 6 6.362 -0.862 -5.081 55 H GLY 7 HN GLY 7 7.160 -0.012 0.510 56 1HA GLY 7 HA2 GLY 7 5.383 -2.143 1.269 57 2HA GLY 7 HA1 GLY 7 6.443 -1.230 2.332 58 H LEU 8 HN LEU 8 5.440 1.382 1.559 59 HA LEU 8 HA LEU 8 3.228 1.423 3.328 60 1HB LEU 8 HB2 LEU 8 3.153 3.853 2.925 61 2HB LEU 8 HB1 LEU 8 4.732 3.269 3.414 62 HG LEU 8 HG LEU 8 5.109 3.182 0.818 63 1HD1 LEU 8 HD11 LEU 8 3.443 5.639 0.893 64 2HD1 LEU 8 HD12 LEU 8 2.638 4.090 0.650 65 3HD1 LEU 8 HD13 LEU 8 3.887 4.620 -0.475 66 1HD2 LEU 8 HD21 LEU 8 5.980 5.552 1.013 67 2HD2 LEU 8 HD22 LEU 8 6.554 4.408 2.226 68 3HD2 LEU 8 HD23 LEU 8 5.288 5.565 2.636 69 H VAL 9 HN VAL 9 3.599 1.914 -0.149 70 HA VAL 9 HA VAL 9 0.887 2.535 -0.663 71 HB VAL 9 HB VAL 9 2.905 1.239 -2.509 72 1HG1 VAL 9 HG11 VAL 9 0.136 1.608 -2.847 73 2HG1 VAL 9 HG12 VAL 9 1.321 1.148 -4.070 74 3HG1 VAL 9 HG13 VAL 9 0.924 2.848 -3.823 75 1HG2 VAL 9 HG21 VAL 9 3.826 3.300 -1.920 76 2HG2 VAL 9 HG22 VAL 9 2.253 4.095 -1.868 77 3HG2 VAL 9 HG23 VAL 9 2.963 3.643 -3.418 78 H GLY 10 HN GLY 10 2.703 -0.496 -0.528 79 1HA GLY 10 HA2 GLY 10 0.657 -2.209 -1.441 80 2HA GLY 10 HA1 GLY 10 2.011 -2.684 -0.420 81 H SER 11 HN SER 11 1.257 -0.664 1.608 82 HA SER 11 HA SER 11 -0.564 -2.317 3.097 83 1HB SER 11 HB2 SER 11 1.493 -0.670 3.830 84 2HB SER 11 HB1 SER 11 0.096 0.346 4.186 85 HG SER 11 HG SER 11 -0.702 -1.284 5.515 86 H ALA 12 HN ALA 12 -0.560 0.940 1.716 87 HA ALA 12 HA ALA 12 -3.226 1.550 2.479 88 1HB ALA 12 HB1 ALA 12 -1.382 3.201 1.856 89 2HB ALA 12 HB2 ALA 12 -2.998 3.530 1.231 90 3HB ALA 12 HB3 ALA 12 -1.775 2.817 0.180 91 H LEU 13 HN LEU 13 -1.844 -0.402 0.157 92 HA LEU 13 HA LEU 13 -3.753 -0.261 -1.920 93 1HB LEU 13 HB2 LEU 13 -1.463 -1.924 -1.176 94 2HB LEU 13 HB1 LEU 13 -2.688 -2.740 -2.130 95 HG LEU 13 HG LEU 13 -1.203 -0.236 -2.907 96 1HD1 LEU 13 HD11 LEU 13 -0.712 -2.063 -4.839 97 2HD1 LEU 13 HD12 LEU 13 -0.812 -3.105 -3.420 98 3HD1 LEU 13 HD13 LEU 13 0.344 -1.774 -3.457 99 1HD2 LEU 13 HD21 LEU 13 -3.642 -1.515 -3.951 100 2HD2 LEU 13 HD22 LEU 13 -2.434 -1.073 -5.158 101 3HD2 LEU 13 HD23 LEU 13 -3.090 0.155 -4.077 102 H GLY 14 HN GLY 14 -3.609 -1.965 1.117 103 1HA GLY 14 HA2 GLY 14 -5.795 -3.745 0.377 104 2HA GLY 14 HA1 GLY 14 -4.948 -3.714 1.921 105 H GLY 15 HN GLY 15 -5.198 -0.822 2.160 106 1HA GLY 15 HA2 GLY 15 -7.750 -0.766 3.463 107 2HA GLY 15 HA1 GLY 15 -6.578 0.544 3.384 108 H LEU 16 HN LEU 16 -6.433 0.494 0.464 109 HA LEU 16 HA LEU 16 -8.711 2.173 -0.067 110 1HB LEU 16 HB2 LEU 16 -6.178 2.273 -0.899 111 2HB LEU 16 HB1 LEU 16 -6.845 1.333 -2.220 112 HG LEU 16 HG LEU 16 -8.387 3.748 -1.562 113 1HD1 LEU 16 HD11 LEU 16 -5.820 4.213 -3.009 114 2HD1 LEU 16 HD12 LEU 16 -5.861 4.296 -1.248 115 3HD1 LEU 16 HD13 LEU 16 -6.884 5.367 -2.205 116 1HD2 LEU 16 HD21 LEU 16 -8.697 3.848 -3.865 117 2HD2 LEU 16 HD22 LEU 16 -8.596 2.117 -3.543 118 3HD2 LEU 16 HD23 LEU 16 -7.203 2.974 -4.202 119 H LEU 17 HN LEU 17 -7.871 -1.080 -0.453 120 HA LEU 17 HA LEU 17 -9.443 -1.717 -2.706 121 1HB LEU 17 HB2 LEU 17 -7.403 -2.906 -1.366 122 2HB LEU 17 HB1 LEU 17 -8.765 -3.880 -0.870 123 HG LEU 17 HG LEU 17 -7.450 -4.719 -2.853 124 1HD1 LEU 17 HD11 LEU 17 -9.658 -5.059 -4.219 125 2HD1 LEU 17 HD12 LEU 17 -10.396 -4.327 -2.796 126 3HD1 LEU 17 HD13 LEU 17 -9.448 -5.803 -2.634 127 1HD2 LEU 17 HD21 LEU 17 -8.838 -3.180 -4.826 128 2HD2 LEU 17 HD22 LEU 17 -7.106 -3.437 -4.626 129 3HD2 LEU 17 HD23 LEU 17 -7.900 -2.104 -3.790 130 H LYS 18 HN LYS 18 -10.019 -1.447 0.668 131 HA LYS 18 HA LYS 18 -12.095 -3.242 0.921 132 1HB LYS 18 HB2 LYS 18 -12.782 -1.855 2.902 133 2HB LYS 18 HB1 LYS 18 -11.114 -2.417 2.897 134 1HG LYS 18 HG2 LYS 18 -10.529 -0.328 3.284 135 2HG LYS 18 HG1 LYS 18 -10.992 0.009 1.614 136 1HD LYS 18 HD2 LYS 18 -13.390 0.163 2.740 137 2HD LYS 18 HD1 LYS 18 -12.409 0.614 4.137 138 1HE LYS 18 HE2 LYS 18 -12.096 1.879 1.434 139 2HE LYS 18 HE1 LYS 18 -13.202 2.509 2.655 140 1HZ LYS 18 HZ1 LYS 18 -11.293 2.730 4.165 141 2HZ LYS 18 HZ2 LYS 18 -11.117 3.673 2.772 142 3HZ LYS 18 HZ3 LYS 18 -10.257 2.224 2.925 143 H LYS 19 HN LYS 19 -12.226 0.211 0.098 144 HA LYS 19 HA LYS 19 -15.101 -0.021 -0.361 145 1HB LYS 19 HB2 LYS 19 -15.244 2.243 -0.210 146 2HB LYS 19 HB1 LYS 19 -13.787 1.997 0.727 147 1HG LYS 19 HG2 LYS 19 -14.030 2.960 -2.096 148 2HG LYS 19 HG1 LYS 19 -13.390 3.828 -0.707 149 1HD LYS 19 HD2 LYS 19 -12.082 1.291 -1.547 150 2HD LYS 19 HD1 LYS 19 -11.793 2.736 -2.500 151 1HE LYS 19 HE2 LYS 19 -10.840 1.972 0.163 152 2HE LYS 19 HE1 LYS 19 -10.104 3.002 -1.059 153 1HZ LYS 19 HZ1 LYS 19 -12.239 3.791 0.846 154 2HZ LYS 19 HZ2 LYS 19 -11.652 4.777 -0.395 155 3HZ LYS 19 HZ3 LYS 19 -10.628 4.307 0.865 156 H ILE 20 HN ILE 20 -12.229 -0.313 -2.067 157 HA ILE 20 HA ILE 20 -12.692 0.763 -4.542 158 HB ILE 20 HB ILE 20 -10.671 -0.579 -3.575 159 1HG1 ILE 20 HG12 ILE 20 -10.936 -1.152 -6.462 160 2HG1 ILE 20 HG11 ILE 20 -11.238 0.518 -5.994 161 1HG2 ILE 20 HG21 ILE 20 -10.522 -2.812 -3.957 162 2HG2 ILE 20 HG22 ILE 20 -11.597 -2.767 -5.353 163 3HG2 ILE 20 HG23 ILE 20 -12.264 -2.694 -3.721 164 1HD1 ILE 20 HD11 ILE 20 -9.040 0.531 -4.847 165 2HD1 ILE 20 HD12 ILE 20 -8.938 0.285 -6.590 166 3HD1 ILE 20 HD13 ILE 20 -8.743 -1.083 -5.493 Start of MODEL 6 1 1H ILE 1 HT1 ILE 1 19.742 1.257 3.643 2 2H ILE 1 HT2 ILE 1 19.788 0.033 2.441 3 3H ILE 1 HT3 ILE 1 19.666 -0.393 4.098 4 HA ILE 1 HA ILE 1 17.522 -0.252 4.079 5 HB ILE 1 HB ILE 1 16.316 1.755 3.305 6 1HG1 ILE 1 HG12 ILE 1 18.149 3.676 2.773 7 2HG1 ILE 1 HG11 ILE 1 18.935 2.286 2.032 8 1HG2 ILE 1 HG21 ILE 1 18.761 2.358 4.963 9 2HG2 ILE 1 HG22 ILE 1 17.250 1.671 5.558 10 3HG2 ILE 1 HG23 ILE 1 17.280 3.314 4.917 11 1HD1 ILE 1 HD11 ILE 1 16.095 3.056 1.443 12 2HD1 ILE 1 HD12 ILE 1 17.130 1.938 0.554 13 3HD1 ILE 1 HD13 ILE 1 17.472 3.668 0.529 14 H ILE 2 HN ILE 2 15.561 -0.262 2.619 15 HA ILE 2 HA ILE 2 16.313 -1.034 -0.126 16 HB ILE 2 HB ILE 2 14.498 -2.743 -0.046 17 1HG1 ILE 2 HG12 ILE 2 14.263 -3.384 2.615 18 2HG1 ILE 2 HG11 ILE 2 14.212 -1.626 2.658 19 1HG2 ILE 2 HG21 ILE 2 16.888 -3.295 0.242 20 2HG2 ILE 2 HG22 ILE 2 15.817 -4.413 1.087 21 3HG2 ILE 2 HG23 ILE 2 16.681 -3.167 1.989 22 1HD1 ILE 2 HD11 ILE 2 12.466 -3.247 0.837 23 2HD1 ILE 2 HD12 ILE 2 12.299 -1.552 1.293 24 3HD1 ILE 2 HD13 ILE 2 12.001 -2.819 2.483 25 H GLY 3 HN GLY 3 13.760 0.171 2.009 26 1HA GLY 3 HA2 GLY 3 12.704 2.244 0.963 27 2HA GLY 3 HA1 GLY 3 12.323 1.163 -0.371 28 HA PRO 4 HA PRO 4 9.681 -0.081 3.577 29 1HB PRO 4 HB2 PRO 4 9.341 2.625 4.711 30 2HB PRO 4 HB1 PRO 4 9.630 1.090 5.535 31 1HG PRO 4 HG2 PRO 4 11.551 2.939 5.345 32 2HG PRO 4 HG1 PRO 4 11.921 1.208 5.238 33 1HD PRO 4 HD2 PRO 4 11.693 3.237 3.047 34 2HD PRO 4 HD1 PRO 4 12.871 1.922 3.247 35 H VAL 5 HN VAL 5 9.508 2.574 1.447 36 HA VAL 5 HA VAL 5 6.881 3.427 1.616 37 HB VAL 5 HB VAL 5 8.359 3.007 -0.978 38 1HG1 VAL 5 HG11 VAL 5 6.206 3.669 -1.526 39 2HG1 VAL 5 HG12 VAL 5 7.075 5.202 -1.468 40 3HG1 VAL 5 HG13 VAL 5 6.058 4.713 -0.113 41 1HG2 VAL 5 HG21 VAL 5 9.212 4.522 1.232 42 2HG2 VAL 5 HG22 VAL 5 8.593 5.675 0.050 43 3HG2 VAL 5 HG23 VAL 5 9.864 4.540 -0.407 44 H LEU 6 HN LEU 6 8.159 0.851 -0.496 45 HA LEU 6 HA LEU 6 5.819 -0.017 -1.639 46 1HB LEU 6 HB2 LEU 6 6.900 -2.163 -1.978 47 2HB LEU 6 HB1 LEU 6 8.029 -0.854 -2.271 48 HG LEU 6 HG LEU 6 8.563 -1.381 0.335 49 1HD1 LEU 6 HD11 LEU 6 8.792 -4.059 -0.001 50 2HD1 LEU 6 HD12 LEU 6 7.242 -3.752 -0.785 51 3HD1 LEU 6 HD13 LEU 6 7.491 -3.273 0.894 52 1HD2 LEU 6 HD21 LEU 6 10.578 -2.323 -0.422 53 2HD2 LEU 6 HD22 LEU 6 10.072 -1.229 -1.709 54 3HD2 LEU 6 HD23 LEU 6 9.826 -2.967 -1.882 55 H GLY 7 HN GLY 7 6.919 -0.461 1.624 56 1HA GLY 7 HA2 GLY 7 5.060 -2.576 2.239 57 2HA GLY 7 HA1 GLY 7 6.061 -1.693 3.386 58 H LEU 8 HN LEU 8 5.158 0.911 2.430 59 HA LEU 8 HA LEU 8 2.821 1.108 4.068 60 1HB LEU 8 HB2 LEU 8 3.965 3.296 2.348 61 2HB LEU 8 HB1 LEU 8 3.000 3.464 3.802 62 HG LEU 8 HG LEU 8 5.819 2.395 3.706 63 1HD1 LEU 8 HD11 LEU 8 4.703 5.099 3.993 64 2HD1 LEU 8 HD12 LEU 8 6.296 4.576 3.446 65 3HD1 LEU 8 HD13 LEU 8 5.938 4.656 5.171 66 1HD2 LEU 8 HD21 LEU 8 4.422 3.272 6.188 67 2HD2 LEU 8 HD22 LEU 8 5.741 2.120 5.984 68 3HD2 LEU 8 HD23 LEU 8 4.096 1.664 5.540 69 H VAL 9 HN VAL 9 3.552 1.647 0.636 70 HA VAL 9 HA VAL 9 1.015 2.396 -0.224 71 HB VAL 9 HB VAL 9 2.939 0.687 -1.806 72 1HG1 VAL 9 HG11 VAL 9 0.451 2.103 -2.406 73 2HG1 VAL 9 HG12 VAL 9 1.256 0.800 -3.282 74 3HG1 VAL 9 HG13 VAL 9 1.770 2.471 -3.518 75 1HG2 VAL 9 HG21 VAL 9 3.473 3.169 -0.666 76 2HG2 VAL 9 HG22 VAL 9 3.058 3.528 -2.342 77 3HG2 VAL 9 HG23 VAL 9 4.360 2.396 -1.980 78 H GLY 10 HN GLY 10 2.405 -0.826 0.247 79 1HA GLY 10 HA2 GLY 10 0.278 -2.328 -0.818 80 2HA GLY 10 HA1 GLY 10 1.419 -2.896 0.396 81 H SER 11 HN SER 11 0.656 -0.621 2.167 82 HA SER 11 HA SER 11 -1.509 -1.954 3.512 83 1HB SER 11 HB2 SER 11 0.589 -0.643 4.498 84 2HB SER 11 HB1 SER 11 -0.526 0.720 4.409 85 HG SER 11 HG SER 11 -2.027 -0.759 5.565 86 H ALA 12 HN ALA 12 -0.970 1.150 1.904 87 HA ALA 12 HA ALA 12 -3.617 2.105 2.306 88 1HB ALA 12 HB1 ALA 12 -2.500 3.966 1.772 89 2HB ALA 12 HB2 ALA 12 -2.647 3.449 0.093 90 3HB ALA 12 HB3 ALA 12 -1.198 3.050 1.015 91 H LEU 13 HN LEU 13 -2.226 -0.171 0.309 92 HA LEU 13 HA LEU 13 -3.864 -0.001 -1.989 93 1HB LEU 13 HB2 LEU 13 -1.889 -1.840 -0.847 94 2HB LEU 13 HB1 LEU 13 -3.087 -2.591 -1.888 95 HG LEU 13 HG LEU 13 -1.210 -0.356 -2.641 96 1HD1 LEU 13 HD11 LEU 13 -1.219 -3.294 -3.034 97 2HD1 LEU 13 HD12 LEU 13 0.131 -2.183 -2.805 98 3HD1 LEU 13 HD13 LEU 13 -0.665 -2.291 -4.375 99 1HD2 LEU 13 HD21 LEU 13 -2.357 -1.327 -4.950 100 2HD2 LEU 13 HD22 LEU 13 -2.763 0.190 -4.149 101 3HD2 LEU 13 HD23 LEU 13 -3.712 -1.260 -3.823 102 H GLY 14 HN GLY 14 -4.242 -1.434 1.159 103 1HA GLY 14 HA2 GLY 14 -6.519 -3.050 0.361 104 2HA GLY 14 HA1 GLY 14 -5.889 -2.858 1.996 105 H GLY 15 HN GLY 15 -5.849 0.118 1.493 106 1HA GLY 15 HA2 GLY 15 -8.355 0.701 2.677 107 2HA GLY 15 HA1 GLY 15 -7.169 1.869 2.112 108 H LEU 16 HN LEU 16 -7.043 1.176 -0.590 109 HA LEU 16 HA LEU 16 -9.449 2.415 -1.545 110 1HB LEU 16 HB2 LEU 16 -6.818 1.662 -2.666 111 2HB LEU 16 HB1 LEU 16 -8.153 1.672 -3.802 112 HG LEU 16 HG LEU 16 -8.633 4.027 -3.153 113 1HD1 LEU 16 HD11 LEU 16 -7.633 5.030 -1.443 114 2HD1 LEU 16 HD12 LEU 16 -6.033 4.565 -2.020 115 3HD1 LEU 16 HD13 LEU 16 -6.960 3.460 -1.005 116 1HD2 LEU 16 HD21 LEU 16 -7.141 4.873 -4.662 117 2HD2 LEU 16 HD22 LEU 16 -6.976 3.151 -5.008 118 3HD2 LEU 16 HD23 LEU 16 -5.782 3.966 -3.997 119 H LEU 17 HN LEU 17 -8.189 -0.736 -1.186 120 HA LEU 17 HA LEU 17 -9.837 -2.043 -3.079 121 1HB LEU 17 HB2 LEU 17 -7.719 -3.018 -2.540 122 2HB LEU 17 HB1 LEU 17 -8.103 -3.031 -0.831 123 HG LEU 17 HG LEU 17 -10.030 -4.644 -1.552 124 1HD1 LEU 17 HD11 LEU 17 -10.016 -5.508 -3.610 125 2HD1 LEU 17 HD12 LEU 17 -8.264 -5.706 -3.609 126 3HD1 LEU 17 HD13 LEU 17 -8.975 -4.152 -4.043 127 1HD2 LEU 17 HD21 LEU 17 -7.151 -5.538 -1.547 128 2HD2 LEU 17 HD22 LEU 17 -8.560 -6.537 -1.191 129 3HD2 LEU 17 HD23 LEU 17 -8.123 -5.213 -0.111 130 H LYS 18 HN LYS 18 -10.146 -0.985 0.157 131 HA LYS 18 HA LYS 18 -11.976 -2.817 1.110 132 1HB LYS 18 HB2 LYS 18 -11.736 -1.634 2.979 133 2HB LYS 18 HB1 LYS 18 -10.701 -0.546 2.074 134 1HG LYS 18 HG2 LYS 18 -13.318 0.286 1.550 135 2HG LYS 18 HG1 LYS 18 -13.258 -0.065 3.271 136 1HD LYS 18 HD2 LYS 18 -12.308 1.924 3.559 137 2HD LYS 18 HD1 LYS 18 -10.892 1.310 2.702 138 1HE LYS 18 HE2 LYS 18 -11.318 3.037 1.313 139 2HE LYS 18 HE1 LYS 18 -12.480 1.907 0.613 140 1HZ LYS 18 HZ1 LYS 18 -14.235 3.018 1.511 141 2HZ LYS 18 HZ2 LYS 18 -13.171 4.324 1.357 142 3HZ LYS 18 HZ3 LYS 18 -13.368 3.567 2.856 143 H LYS 19 HN LYS 19 -12.554 0.303 -0.507 144 HA LYS 19 HA LYS 19 -15.401 -0.304 -0.620 145 1HB LYS 19 HB2 LYS 19 -15.776 1.912 -0.858 146 2HB LYS 19 HB1 LYS 19 -14.166 2.030 -0.172 147 1HG LYS 19 HG2 LYS 19 -14.924 2.213 -3.069 148 2HG LYS 19 HG1 LYS 19 -14.327 3.509 -2.037 149 1HD LYS 19 HD2 LYS 19 -12.712 1.040 -2.521 150 2HD LYS 19 HD1 LYS 19 -12.688 2.370 -3.670 151 1HE LYS 19 HE2 LYS 19 -11.515 2.128 -0.983 152 2HE LYS 19 HE1 LYS 19 -10.953 3.018 -2.396 153 1HZ LYS 19 HZ1 LYS 19 -12.650 4.706 -1.937 154 2HZ LYS 19 HZ2 LYS 19 -11.558 4.544 -0.656 155 3HZ LYS 19 HZ3 LYS 19 -13.105 3.871 -0.537 156 H ILE 20 HN ILE 20 -12.670 -0.801 -2.475 157 HA ILE 20 HA ILE 20 -13.388 -0.335 -5.072 158 HB ILE 20 HB ILE 20 -11.209 -1.315 -4.103 159 1HG1 ILE 20 HG12 ILE 20 -11.618 -0.755 -6.486 160 2HG1 ILE 20 HG11 ILE 20 -10.552 -2.143 -6.290 161 1HG2 ILE 20 HG21 ILE 20 -12.730 -3.463 -3.497 162 2HG2 ILE 20 HG22 ILE 20 -10.984 -3.521 -3.722 163 3HG2 ILE 20 HG23 ILE 20 -12.058 -3.972 -5.045 164 1HD1 ILE 20 HD11 ILE 20 -11.881 -3.025 -7.868 165 2HD1 ILE 20 HD12 ILE 20 -13.234 -1.963 -7.475 166 3HD1 ILE 20 HD13 ILE 20 -12.921 -3.394 -6.492 Start of MODEL 7 1 1H ILE 1 HT1 ILE 1 17.460 3.955 -2.755 2 2H ILE 1 HT2 ILE 1 16.059 4.275 -1.818 3 3H ILE 1 HT3 ILE 1 15.927 3.413 -3.296 4 HA ILE 1 HA ILE 1 17.596 1.839 -2.136 5 HB ILE 1 HB ILE 1 16.019 2.934 0.195 6 1HG1 ILE 1 HG12 ILE 1 18.962 3.112 0.240 7 2HG1 ILE 1 HG11 ILE 1 18.180 4.176 -0.924 8 1HG2 ILE 1 HG21 ILE 1 16.655 0.477 0.112 9 2HG2 ILE 1 HG22 ILE 1 17.173 1.381 1.535 10 3HG2 ILE 1 HG23 ILE 1 18.329 1.014 0.255 11 1HD1 ILE 1 HD11 ILE 1 17.806 4.097 2.051 12 2HD1 ILE 1 HD12 ILE 1 16.724 4.974 0.969 13 3HD1 ILE 1 HD13 ILE 1 18.429 5.416 1.060 14 H ILE 2 HN ILE 2 14.273 2.868 -1.361 15 HA ILE 2 HA ILE 2 12.265 1.819 -1.597 16 HB ILE 2 HB ILE 2 13.677 -0.210 -3.324 17 1HG1 ILE 2 HG12 ILE 2 12.400 1.662 -4.970 18 2HG1 ILE 2 HG11 ILE 2 13.248 2.625 -3.765 19 1HG2 ILE 2 HG21 ILE 2 10.922 0.687 -3.877 20 2HG2 ILE 2 HG22 ILE 2 11.152 -0.277 -2.419 21 3HG2 ILE 2 HG23 ILE 2 11.639 -0.921 -3.987 22 1HD1 ILE 2 HD11 ILE 2 14.301 1.489 -6.075 23 2HD1 ILE 2 HD12 ILE 2 14.938 0.519 -4.747 24 3HD1 ILE 2 HD13 ILE 2 15.188 2.265 -4.763 25 H GLY 3 HN GLY 3 12.004 1.137 0.506 26 1HA GLY 3 HA2 GLY 3 12.281 -1.730 0.920 27 2HA GLY 3 HA1 GLY 3 13.190 -0.708 2.022 28 HA PRO 4 HA PRO 4 9.710 0.073 4.597 29 1HB PRO 4 HB2 PRO 4 9.558 2.953 3.974 30 2HB PRO 4 HB1 PRO 4 9.884 2.153 5.514 31 1HG PRO 4 HG2 PRO 4 11.823 3.414 4.171 32 2HG PRO 4 HG1 PRO 4 12.141 1.914 5.064 33 1HD PRO 4 HD2 PRO 4 11.746 2.318 2.120 34 2HD PRO 4 HD1 PRO 4 12.925 1.293 2.969 35 H VAL 5 HN VAL 5 9.464 0.964 1.327 36 HA VAL 5 HA VAL 5 6.907 1.994 1.074 37 HB VAL 5 HB VAL 5 8.088 -0.016 -0.832 38 1HG1 VAL 5 HG11 VAL 5 6.762 2.267 -1.994 39 2HG1 VAL 5 HG12 VAL 5 5.699 1.427 -0.865 40 3HG1 VAL 5 HG13 VAL 5 6.432 0.547 -2.206 41 1HG2 VAL 5 HG21 VAL 5 8.824 2.361 -1.878 42 2HG2 VAL 5 HG22 VAL 5 9.871 1.368 -0.864 43 3HG2 VAL 5 HG23 VAL 5 8.974 2.712 -0.157 44 H LEU 6 HN LEU 6 7.868 -1.433 0.858 45 HA LEU 6 HA LEU 6 5.427 -2.616 0.525 46 1HB LEU 6 HB2 LEU 6 7.806 -3.536 2.125 47 2HB LEU 6 HB1 LEU 6 6.404 -4.552 1.849 48 HG LEU 6 HG LEU 6 8.235 -3.437 -0.276 49 1HD1 LEU 6 HD11 LEU 6 9.184 -5.273 1.072 50 2HD1 LEU 6 HD12 LEU 6 8.916 -5.727 -0.612 51 3HD1 LEU 6 HD13 LEU 6 7.799 -6.276 0.638 52 1HD2 LEU 6 HD21 LEU 6 6.789 -5.272 -1.562 53 2HD2 LEU 6 HD22 LEU 6 6.318 -3.574 -1.481 54 3HD2 LEU 6 HD23 LEU 6 5.582 -4.746 -0.388 55 H GLY 7 HN GLY 7 6.672 -1.098 3.393 56 1HA GLY 7 HA2 GLY 7 4.704 -2.253 5.158 57 2HA GLY 7 HA1 GLY 7 5.828 -0.954 5.547 58 H LEU 8 HN LEU 8 5.142 0.717 3.343 59 HA LEU 8 HA LEU 8 2.835 1.978 4.471 60 1HB LEU 8 HB2 LEU 8 4.194 2.775 1.910 61 2HB LEU 8 HB1 LEU 8 3.273 3.788 3.005 62 HG LEU 8 HG LEU 8 5.983 2.590 3.577 63 1HD1 LEU 8 HD11 LEU 8 6.355 5.230 3.707 64 2HD1 LEU 8 HD12 LEU 8 5.070 5.186 2.501 65 3HD1 LEU 8 HD13 LEU 8 6.571 4.303 2.223 66 1HD2 LEU 8 HD21 LEU 8 4.856 4.728 5.269 67 2HD2 LEU 8 HD22 LEU 8 5.858 3.343 5.703 68 3HD2 LEU 8 HD23 LEU 8 4.127 3.131 5.442 69 H VAL 9 HN VAL 9 3.628 0.442 1.377 70 HA VAL 9 HA VAL 9 1.214 0.835 0.059 71 HB VAL 9 HB VAL 9 2.900 -1.664 -0.142 72 1HG1 VAL 9 HG11 VAL 9 0.508 -1.100 -1.326 73 2HG1 VAL 9 HG12 VAL 9 1.726 -2.198 -1.976 74 3HG1 VAL 9 HG13 VAL 9 1.656 -0.528 -2.537 75 1HG2 VAL 9 HG21 VAL 9 3.423 1.111 -0.987 76 2HG2 VAL 9 HG22 VAL 9 3.735 -0.134 -2.196 77 3HG2 VAL 9 HG23 VAL 9 4.547 -0.200 -0.632 78 H GLY 10 HN GLY 10 2.128 -1.556 2.475 79 1HA GLY 10 HA2 GLY 10 -0.097 -3.262 2.231 80 2HA GLY 10 HA1 GLY 10 0.880 -3.059 3.681 81 H SER 11 HN SER 11 0.336 -0.166 3.762 82 HA SER 11 HA SER 11 -2.143 -0.320 5.229 83 1HB SER 11 HB2 SER 11 0.078 1.634 4.974 84 2HB SER 11 HB1 SER 11 -1.509 2.302 5.356 85 HG SER 11 HG SER 11 -0.504 1.792 7.273 86 H ALA 12 HN ALA 12 -0.906 1.386 2.382 87 HA ALA 12 HA ALA 12 -3.379 2.655 1.781 88 1HB ALA 12 HB1 ALA 12 -0.751 2.380 0.453 89 2HB ALA 12 HB2 ALA 12 -1.725 3.821 0.744 90 3HB ALA 12 HB3 ALA 12 -2.134 2.733 -0.583 91 H LEU 13 HN LEU 13 -2.199 -0.450 1.479 92 HA LEU 13 HA LEU 13 -3.526 -1.357 -0.838 93 1HB LEU 13 HB2 LEU 13 -2.069 -2.511 1.427 94 2HB LEU 13 HB1 LEU 13 -3.266 -3.568 0.697 95 HG LEU 13 HG LEU 13 -1.101 -2.196 -0.881 96 1HD1 LEU 13 HD11 LEU 13 0.268 -3.569 0.275 97 2HD1 LEU 13 HD12 LEU 13 -0.343 -4.769 -0.864 98 3HD1 LEU 13 HD13 LEU 13 -1.039 -4.652 0.752 99 1HD2 LEU 13 HD21 LEU 13 -3.308 -4.061 -1.485 100 2HD2 LEU 13 HD22 LEU 13 -1.762 -4.400 -2.263 101 3HD2 LEU 13 HD23 LEU 13 -2.543 -2.836 -2.498 102 H GLY 14 HN GLY 14 -4.508 -0.866 2.469 103 1HA GLY 14 HA2 GLY 14 -6.960 -2.403 2.131 104 2HA GLY 14 HA1 GLY 14 -6.469 -1.515 3.572 105 H GLY 15 HN GLY 15 -5.812 0.842 1.875 106 1HA GLY 15 HA2 GLY 15 -8.378 2.104 2.033 107 2HA GLY 15 HA1 GLY 15 -6.873 2.840 1.496 108 H LEU 16 HN LEU 16 -6.197 1.137 -0.589 109 HA LEU 16 HA LEU 16 -7.946 2.091 -2.658 110 1HB LEU 16 HB2 LEU 16 -5.502 0.329 -2.680 111 2HB LEU 16 HB1 LEU 16 -6.364 0.794 -4.135 112 HG LEU 16 HG LEU 16 -5.616 3.083 -2.476 113 1HD1 LEU 16 HD11 LEU 16 -3.572 2.348 -1.920 114 2HD1 LEU 16 HD12 LEU 16 -3.184 2.670 -3.610 115 3HD1 LEU 16 HD13 LEU 16 -3.611 1.037 -3.099 116 1HD2 LEU 16 HD21 LEU 16 -5.751 2.289 -5.306 117 2HD2 LEU 16 HD22 LEU 16 -4.492 3.457 -4.903 118 3HD2 LEU 16 HD23 LEU 16 -6.178 3.814 -4.529 119 H LEU 17 HN LEU 17 -7.756 -0.621 -0.689 120 HA LEU 17 HA LEU 17 -8.838 -2.566 -2.428 121 1HB LEU 17 HB2 LEU 17 -7.534 -3.425 -0.687 122 2HB LEU 17 HB1 LEU 17 -8.303 -2.407 0.512 123 HG LEU 17 HG LEU 17 -10.419 -3.840 0.019 124 1HD1 LEU 17 HD11 LEU 17 -10.241 -5.646 -1.267 125 2HD1 LEU 17 HD12 LEU 17 -8.748 -6.151 -0.474 126 3HD1 LEU 17 HD13 LEU 17 -8.692 -5.003 -1.811 127 1HD2 LEU 17 HD21 LEU 17 -8.037 -4.425 1.670 128 2HD2 LEU 17 HD22 LEU 17 -9.243 -5.703 1.523 129 3HD2 LEU 17 HD23 LEU 17 -9.707 -4.122 2.150 130 H LYS 18 HN LYS 18 -10.079 -0.055 -0.472 131 HA LYS 18 HA LYS 18 -12.584 -1.080 0.112 132 1HB LYS 18 HB2 LYS 18 -12.883 0.873 1.159 133 2HB LYS 18 HB1 LYS 18 -11.235 1.237 0.683 134 1HG LYS 18 HG2 LYS 18 -12.836 1.992 -1.489 135 2HG LYS 18 HG1 LYS 18 -13.681 2.541 -0.049 136 1HD LYS 18 HD2 LYS 18 -12.312 4.301 -0.079 137 2HD LYS 18 HD1 LYS 18 -11.035 3.195 0.434 138 1HE LYS 18 HE2 LYS 18 -10.012 3.942 -1.433 139 2HE LYS 18 HE1 LYS 18 -11.025 2.726 -2.212 140 1HZ LYS 18 HZ1 LYS 18 -11.076 4.958 -3.276 141 2HZ LYS 18 HZ2 LYS 18 -11.826 5.565 -1.887 142 3HZ LYS 18 HZ3 LYS 18 -12.599 4.381 -2.815 143 H LYS 19 HN LYS 19 -11.540 0.902 -2.657 144 HA LYS 19 HA LYS 19 -14.133 0.497 -3.908 145 1HB LYS 19 HB2 LYS 19 -13.758 2.394 -5.052 146 2HB LYS 19 HB1 LYS 19 -12.513 2.663 -3.844 147 1HG LYS 19 HG2 LYS 19 -12.131 1.506 -6.590 148 2HG LYS 19 HG1 LYS 19 -11.641 3.105 -6.035 149 1HD LYS 19 HD2 LYS 19 -10.628 0.554 -4.828 150 2HD LYS 19 HD1 LYS 19 -9.808 1.387 -6.144 151 1HE LYS 19 HE2 LYS 19 -10.417 3.251 -4.079 152 2HE LYS 19 HE1 LYS 19 -9.630 1.842 -3.370 153 1HZ LYS 19 HZ1 LYS 19 -7.755 2.132 -4.727 154 2HZ LYS 19 HZ2 LYS 19 -8.129 3.686 -4.173 155 3HZ LYS 19 HZ3 LYS 19 -8.542 3.229 -5.749 156 H ILE 20 HN ILE 20 -11.152 -1.008 -3.818 157 HA ILE 20 HA ILE 20 -10.563 -1.763 -6.371 158 HB ILE 20 HB ILE 20 -9.358 -2.359 -4.193 159 1HG1 ILE 20 HG12 ILE 20 -9.254 -4.813 -5.790 160 2HG1 ILE 20 HG11 ILE 20 -9.190 -3.348 -6.765 161 1HG2 ILE 20 HG21 ILE 20 -10.496 -5.053 -4.247 162 2HG2 ILE 20 HG22 ILE 20 -11.615 -3.815 -3.677 163 3HG2 ILE 20 HG23 ILE 20 -10.058 -4.030 -2.879 164 1HD1 ILE 20 HD11 ILE 20 -7.162 -2.733 -5.952 165 2HD1 ILE 20 HD12 ILE 20 -7.019 -4.484 -5.793 166 3HD1 ILE 20 HD13 ILE 20 -7.430 -3.501 -4.387 Start of MODEL 8 1 1H ILE 1 HT1 ILE 1 12.133 -4.447 3.140 2 2H ILE 1 HT2 ILE 1 12.113 -3.854 1.530 3 3H ILE 1 HT3 ILE 1 12.478 -2.797 2.831 4 HA ILE 1 HA ILE 1 14.364 -4.408 3.296 5 HB ILE 1 HB ILE 1 13.997 -4.879 0.340 6 1HG1 ILE 1 HG12 ILE 1 12.245 -6.054 1.620 7 2HG1 ILE 1 HG11 ILE 1 13.391 -7.180 0.899 8 1HG2 ILE 1 HG21 ILE 1 15.761 -6.521 2.071 9 2HG2 ILE 1 HG22 ILE 1 16.292 -4.890 1.662 10 3HG2 ILE 1 HG23 ILE 1 15.948 -6.053 0.381 11 1HD1 ILE 1 HD11 ILE 1 13.585 -6.255 3.748 12 2HD1 ILE 1 HD12 ILE 1 14.417 -7.608 2.980 13 3HD1 ILE 1 HD13 ILE 1 12.676 -7.683 3.252 14 H ILE 2 HN ILE 2 13.654 -2.740 0.223 15 HA ILE 2 HA ILE 2 16.072 -1.131 0.588 16 HB ILE 2 HB ILE 2 15.716 -0.408 -1.740 17 1HG1 ILE 2 HG12 ILE 2 13.730 -2.463 -2.366 18 2HG1 ILE 2 HG11 ILE 2 13.097 -1.194 -1.322 19 1HG2 ILE 2 HG21 ILE 2 16.012 -2.726 -2.774 20 2HG2 ILE 2 HG22 ILE 2 15.835 -3.344 -1.132 21 3HG2 ILE 2 HG23 ILE 2 17.155 -2.241 -1.522 22 1HD1 ILE 2 HD11 ILE 2 12.679 -0.149 -3.251 23 2HD1 ILE 2 HD12 ILE 2 13.854 -1.113 -4.147 24 3HD1 ILE 2 HD13 ILE 2 14.390 0.272 -3.194 25 H GLY 3 HN GLY 3 13.359 -0.784 1.985 26 1HA GLY 3 HA2 GLY 3 13.143 1.637 2.784 27 2HA GLY 3 HA1 GLY 3 12.793 1.970 1.097 28 HA PRO 4 HA PRO 4 9.052 -0.042 3.527 29 1HB PRO 4 HB2 PRO 4 8.684 2.340 5.214 30 2HB PRO 4 HB1 PRO 4 8.631 0.631 5.656 31 1HG PRO 4 HG2 PRO 4 10.667 2.201 6.402 32 2HG PRO 4 HG1 PRO 4 10.915 0.501 5.960 33 1HD PRO 4 HD2 PRO 4 11.408 2.971 4.329 34 2HD PRO 4 HD1 PRO 4 12.419 1.521 4.511 35 H VAL 5 HN VAL 5 9.811 2.742 1.844 36 HA VAL 5 HA VAL 5 7.491 4.240 1.733 37 HB VAL 5 HB VAL 5 9.329 3.608 -0.581 38 1HG1 VAL 5 HG11 VAL 5 7.673 4.705 -1.674 39 2HG1 VAL 5 HG12 VAL 5 8.522 6.116 -1.042 40 3HG1 VAL 5 HG13 VAL 5 7.089 5.505 -0.214 41 1HG2 VAL 5 HG21 VAL 5 10.088 4.713 1.770 42 2HG2 VAL 5 HG22 VAL 5 9.611 6.151 0.868 43 3HG2 VAL 5 HG23 VAL 5 10.843 5.070 0.218 44 H LEU 6 HN LEU 6 8.390 1.563 -0.456 45 HA LEU 6 HA LEU 6 5.952 1.478 -1.827 46 1HB LEU 6 HB2 LEU 6 8.271 -0.344 -1.499 47 2HB LEU 6 HB1 LEU 6 6.781 -1.056 -2.090 48 HG LEU 6 HG LEU 6 8.165 1.299 -3.373 49 1HD1 LEU 6 HD11 LEU 6 9.641 -0.309 -3.962 50 2HD1 LEU 6 HD12 LEU 6 8.407 -0.664 -5.170 51 3HD1 LEU 6 HD13 LEU 6 8.493 -1.620 -3.691 52 1HD2 LEU 6 HD21 LEU 6 6.484 1.386 -4.866 53 2HD2 LEU 6 HD22 LEU 6 5.557 0.615 -3.579 54 3HD2 LEU 6 HD23 LEU 6 6.256 -0.363 -4.870 55 H GLY 7 HN GLY 7 6.951 0.182 1.234 56 1HA GLY 7 HA2 GLY 7 4.724 -1.634 1.477 57 2HA GLY 7 HA1 GLY 7 5.883 -1.221 2.735 58 H LEU 8 HN LEU 8 5.396 1.690 2.204 59 HA LEU 8 HA LEU 8 3.245 1.965 4.061 60 1HB LEU 8 HB2 LEU 8 4.241 3.882 4.586 61 2HB LEU 8 HB1 LEU 8 5.494 3.448 3.443 62 HG LEU 8 HG LEU 8 3.696 4.621 1.792 63 1HD1 LEU 8 HD11 LEU 8 2.122 5.427 3.268 64 2HD1 LEU 8 HD12 LEU 8 3.204 6.809 3.104 65 3HD1 LEU 8 HD13 LEU 8 3.317 5.763 4.520 66 1HD2 LEU 8 HD21 LEU 8 5.198 6.756 2.490 67 2HD2 LEU 8 HD22 LEU 8 5.760 5.446 1.451 68 3HD2 LEU 8 HD23 LEU 8 6.157 5.440 3.169 69 H VAL 9 HN VAL 9 3.757 2.725 0.652 70 HA VAL 9 HA VAL 9 1.173 3.874 0.277 71 HB VAL 9 HB VAL 9 2.936 2.581 -1.813 72 1HG1 VAL 9 HG11 VAL 9 1.395 3.172 -3.308 73 2HG1 VAL 9 HG12 VAL 9 1.344 4.820 -2.684 74 3HG1 VAL 9 HG13 VAL 9 0.322 3.574 -1.966 75 1HG2 VAL 9 HG21 VAL 9 3.312 5.222 -2.163 76 2HG2 VAL 9 HG22 VAL 9 4.369 4.211 -1.178 77 3HG2 VAL 9 HG23 VAL 9 3.105 5.174 -0.412 78 H GLY 10 HN GLY 10 2.556 0.661 0.108 79 1HA GLY 10 HA2 GLY 10 0.433 -0.688 -1.146 80 2HA GLY 10 HA1 GLY 10 1.599 -1.416 -0.047 81 H SER 11 HN SER 11 0.842 0.541 2.076 82 HA SER 11 HA SER 11 -1.158 -1.045 3.325 83 1HB SER 11 HB2 SER 11 0.281 1.486 4.052 84 2HB SER 11 HB1 SER 11 -1.110 0.966 5.001 85 HG SER 11 HG SER 11 1.317 -0.425 4.558 86 H ALA 12 HN ALA 12 -1.125 2.261 2.022 87 HA ALA 12 HA ALA 12 -3.889 2.718 2.466 88 1HB ALA 12 HB1 ALA 12 -3.597 4.773 1.426 89 2HB ALA 12 HB2 ALA 12 -2.330 4.160 0.364 90 3HB ALA 12 HB3 ALA 12 -1.991 4.438 2.072 91 H LEU 13 HN LEU 13 -2.069 1.090 0.155 92 HA LEU 13 HA LEU 13 -3.898 1.143 -2.027 93 1HB LEU 13 HB2 LEU 13 -1.381 -0.227 -1.321 94 2HB LEU 13 HB1 LEU 13 -2.396 -1.004 -2.526 95 HG LEU 13 HG LEU 13 -1.648 1.881 -2.820 96 1HD1 LEU 13 HD11 LEU 13 0.096 -0.490 -3.168 97 2HD1 LEU 13 HD12 LEU 13 0.506 1.167 -2.724 98 3HD1 LEU 13 HD13 LEU 13 0.162 0.764 -4.407 99 1HD2 LEU 13 HD21 LEU 13 -1.670 0.543 -5.267 100 2HD2 LEU 13 HD22 LEU 13 -2.912 1.621 -4.630 101 3HD2 LEU 13 HD23 LEU 13 -3.035 -0.119 -4.368 102 H GLY 14 HN GLY 14 -3.479 -0.813 0.817 103 1HA GLY 14 HA2 GLY 14 -5.253 -2.904 -0.149 104 2HA GLY 14 HA1 GLY 14 -4.486 -2.829 1.435 105 H GLY 15 HN GLY 15 -5.382 0.036 1.625 106 1HA GLY 15 HA2 GLY 15 -7.808 -0.465 3.028 107 2HA GLY 15 HA1 GLY 15 -7.053 1.101 2.765 108 H LEU 16 HN LEU 16 -6.996 1.082 -0.052 109 HA LEU 16 HA LEU 16 -9.713 1.832 -0.605 110 1HB LEU 16 HB2 LEU 16 -7.089 2.050 -1.952 111 2HB LEU 16 HB1 LEU 16 -8.483 1.971 -3.011 112 HG LEU 16 HG LEU 16 -8.964 3.877 -0.905 113 1HD1 LEU 16 HD11 LEU 16 -7.166 5.461 -2.099 114 2HD1 LEU 16 HD12 LEU 16 -6.295 3.929 -2.165 115 3HD1 LEU 16 HD13 LEU 16 -6.834 4.570 -0.613 116 1HD2 LEU 16 HD21 LEU 16 -9.904 5.036 -2.593 117 2HD2 LEU 16 HD22 LEU 16 -9.739 3.511 -3.464 118 3HD2 LEU 16 HD23 LEU 16 -8.534 4.782 -3.673 119 H LEU 17 HN LEU 17 -7.729 -0.910 -0.992 120 HA LEU 17 HA LEU 17 -9.127 -2.126 -3.128 121 1HB LEU 17 HB2 LEU 17 -7.004 -3.000 -1.233 122 2HB LEU 17 HB1 LEU 17 -7.843 -4.188 -2.209 123 HG LEU 17 HG LEU 17 -6.458 -1.808 -3.422 124 1HD1 LEU 17 HD11 LEU 17 -5.098 -3.643 -1.993 125 2HD1 LEU 17 HD12 LEU 17 -4.454 -2.836 -3.423 126 3HD1 LEU 17 HD13 LEU 17 -5.159 -4.447 -3.562 127 1HD2 LEU 17 HD21 LEU 17 -7.336 -4.469 -4.536 128 2HD2 LEU 17 HD22 LEU 17 -6.483 -3.211 -5.430 129 3HD2 LEU 17 HD23 LEU 17 -8.111 -2.912 -4.823 130 H LYS 18 HN LYS 18 -9.516 -1.911 0.257 131 HA LYS 18 HA LYS 18 -10.815 -4.287 0.776 132 1HB LYS 18 HB2 LYS 18 -10.859 -3.485 2.858 133 2HB LYS 18 HB1 LYS 18 -10.096 -2.040 2.224 134 1HG LYS 18 HG2 LYS 18 -12.830 -1.686 1.782 135 2HG LYS 18 HG1 LYS 18 -12.697 -2.381 3.391 136 1HD LYS 18 HD2 LYS 18 -12.225 -0.331 4.121 137 2HD LYS 18 HD1 LYS 18 -10.683 -0.464 3.272 138 1HE LYS 18 HE2 LYS 18 -11.420 1.403 2.234 139 2HE LYS 18 HE1 LYS 18 -12.265 0.231 1.222 140 1HZ LYS 18 HZ1 LYS 18 -14.249 0.545 2.476 141 2HZ LYS 18 HZ2 LYS 18 -13.678 2.077 2.045 142 3HZ LYS 18 HZ3 LYS 18 -13.459 1.507 3.622 143 H LYS 19 HN LYS 19 -12.190 -1.139 -0.148 144 HA LYS 19 HA LYS 19 -14.798 -2.388 -0.480 145 1HB LYS 19 HB2 LYS 19 -15.702 -0.355 -0.146 146 2HB LYS 19 HB1 LYS 19 -14.123 0.021 0.523 147 1HG LYS 19 HG2 LYS 19 -15.117 0.648 -2.240 148 2HG LYS 19 HG1 LYS 19 -14.798 1.785 -0.933 149 1HD LYS 19 HD2 LYS 19 -12.671 0.019 -2.085 150 2HD LYS 19 HD1 LYS 19 -13.034 1.605 -2.753 151 1HE LYS 19 HE2 LYS 19 -12.753 1.777 0.085 152 2HE LYS 19 HE1 LYS 19 -11.358 0.947 -0.604 153 1HZ LYS 19 HZ1 LYS 19 -11.015 2.797 -2.096 154 2HZ LYS 19 HZ2 LYS 19 -11.048 3.359 -0.501 155 3HZ LYS 19 HZ3 LYS 19 -12.391 3.584 -1.504 156 H ILE 20 HN ILE 20 -12.082 -1.774 -2.324 157 HA ILE 20 HA ILE 20 -12.962 -0.885 -4.748 158 HB ILE 20 HB ILE 20 -10.588 -1.519 -4.028 159 1HG1 ILE 20 HG12 ILE 20 -10.891 -2.489 -6.794 160 2HG1 ILE 20 HG11 ILE 20 -11.700 -0.962 -6.458 161 1HG2 ILE 20 HG21 ILE 20 -11.534 -4.036 -3.872 162 2HG2 ILE 20 HG22 ILE 20 -9.835 -3.646 -4.138 163 3HG2 ILE 20 HG23 ILE 20 -10.870 -4.056 -5.505 164 1HD1 ILE 20 HD11 ILE 20 -9.537 -0.457 -7.271 165 2HD1 ILE 20 HD12 ILE 20 -8.781 -1.600 -6.161 166 3HD1 ILE 20 HD13 ILE 20 -9.526 -0.127 -5.538 Start of MODEL 9 1 1H ILE 1 HT1 ILE 1 14.108 4.791 3.117 2 2H ILE 1 HT2 ILE 1 15.369 4.988 4.265 3 3H ILE 1 HT3 ILE 1 14.036 3.966 4.618 4 HA ILE 1 HA ILE 1 16.353 3.527 2.941 5 HB ILE 1 HB ILE 1 14.654 1.559 4.465 6 1HG1 ILE 1 HG12 ILE 1 17.092 2.268 5.831 7 2HG1 ILE 1 HG11 ILE 1 16.111 3.707 5.577 8 1HG2 ILE 1 HG21 ILE 1 16.081 0.369 3.080 9 2HG2 ILE 1 HG22 ILE 1 16.986 0.451 4.591 10 3HG2 ILE 1 HG23 ILE 1 17.392 1.535 3.260 11 1HD1 ILE 1 HD11 ILE 1 14.293 1.835 6.460 12 2HD1 ILE 1 HD12 ILE 1 15.030 3.118 7.420 13 3HD1 ILE 1 HD13 ILE 1 15.739 1.503 7.414 14 H ILE 2 HN ILE 2 16.291 1.734 1.408 15 HA ILE 2 HA ILE 2 13.950 1.932 -0.301 16 HB ILE 2 HB ILE 2 15.305 0.568 -1.890 17 1HG1 ILE 2 HG12 ILE 2 17.869 0.956 -0.675 18 2HG1 ILE 2 HG11 ILE 2 16.845 0.071 0.450 19 1HG2 ILE 2 HG21 ILE 2 16.714 2.353 -2.553 20 2HG2 ILE 2 HG22 ILE 2 16.831 2.965 -0.903 21 3HG2 ILE 2 HG23 ILE 2 15.306 3.085 -1.782 22 1HD1 ILE 2 HD11 ILE 2 16.709 -1.756 -0.897 23 2HD1 ILE 2 HD12 ILE 2 18.304 -1.159 -1.354 24 3HD1 ILE 2 HD13 ILE 2 16.909 -0.820 -2.378 25 H GLY 3 HN GLY 3 12.382 0.741 0.850 26 1HA GLY 3 HA2 GLY 3 12.133 -1.951 0.201 27 2HA GLY 3 HA1 GLY 3 12.817 -1.889 1.817 28 HA PRO 4 HA PRO 4 8.998 -0.909 3.799 29 1HB PRO 4 HB2 PRO 4 9.457 2.001 4.067 30 2HB PRO 4 HB1 PRO 4 9.171 0.787 5.318 31 1HG PRO 4 HG2 PRO 4 11.596 1.842 4.953 32 2HG PRO 4 HG1 PRO 4 11.391 0.132 5.379 33 1HD PRO 4 HD2 PRO 4 12.002 1.363 2.720 34 2HD PRO 4 HD1 PRO 4 12.652 -0.118 3.452 35 H VAL 5 HN VAL 5 9.773 0.935 1.028 36 HA VAL 5 HA VAL 5 7.472 2.430 0.594 37 HB VAL 5 HB VAL 5 9.011 0.992 -1.567 38 1HG1 VAL 5 HG11 VAL 5 6.790 2.253 -2.005 39 2HG1 VAL 5 HG12 VAL 5 8.172 2.558 -3.057 40 3HG1 VAL 5 HG13 VAL 5 7.766 3.705 -1.781 41 1HG2 VAL 5 HG21 VAL 5 10.682 2.078 -0.324 42 2HG2 VAL 5 HG22 VAL 5 9.666 3.490 -0.032 43 3HG2 VAL 5 HG23 VAL 5 10.311 3.186 -1.645 44 H LEU 6 HN LEU 6 8.187 -0.847 -0.623 45 HA LEU 6 HA LEU 6 5.681 -1.327 -1.750 46 1HB LEU 6 HB2 LEU 6 8.035 -2.916 -1.014 47 2HB LEU 6 HB1 LEU 6 6.532 -3.820 -0.997 48 HG LEU 6 HG LEU 6 7.326 -2.169 -3.378 49 1HD1 LEU 6 HD11 LEU 6 8.872 -3.619 -4.039 50 2HD1 LEU 6 HD12 LEU 6 7.824 -4.994 -3.692 51 3HD1 LEU 6 HD13 LEU 6 8.826 -4.304 -2.415 52 1HD2 LEU 6 HD21 LEU 6 5.949 -4.105 -4.430 53 2HD2 LEU 6 HD22 LEU 6 5.114 -2.788 -3.606 54 3HD2 LEU 6 HD23 LEU 6 5.351 -4.332 -2.786 55 H GLY 7 HN GLY 7 6.810 -1.508 1.532 56 1HA GLY 7 HA2 GLY 7 4.563 -3.042 2.489 57 2HA GLY 7 HA1 GLY 7 5.800 -2.267 3.472 58 H LEU 8 HN LEU 8 5.454 0.322 2.183 59 HA LEU 8 HA LEU 8 3.309 1.247 3.821 60 1HB LEU 8 HB2 LEU 8 4.439 3.160 3.823 61 2HB LEU 8 HB1 LEU 8 5.662 2.348 2.870 62 HG LEU 8 HG LEU 8 3.997 3.126 0.907 63 1HD1 LEU 8 HD11 LEU 8 2.396 4.341 2.033 64 2HD1 LEU 8 HD12 LEU 8 3.538 5.598 1.558 65 3HD1 LEU 8 HD13 LEU 8 3.552 4.970 3.206 66 1HD2 LEU 8 HD21 LEU 8 6.540 3.778 1.812 67 2HD2 LEU 8 HD22 LEU 8 5.725 5.330 1.615 68 3HD2 LEU 8 HD23 LEU 8 5.828 4.209 0.258 69 H VAL 9 HN VAL 9 3.913 1.026 0.347 70 HA VAL 9 HA VAL 9 1.408 2.179 -0.390 71 HB VAL 9 HB VAL 9 3.169 0.332 -2.018 72 1HG1 VAL 9 HG11 VAL 9 1.778 2.198 -3.619 73 2HG1 VAL 9 HG12 VAL 9 0.599 1.482 -2.518 74 3HG1 VAL 9 HG13 VAL 9 1.575 0.447 -3.563 75 1HG2 VAL 9 HG21 VAL 9 3.272 3.261 -1.469 76 2HG2 VAL 9 HG22 VAL 9 3.752 2.667 -3.059 77 3HG2 VAL 9 HG23 VAL 9 4.587 2.095 -1.614 78 H GLY 10 HN GLY 10 2.581 -1.043 0.325 79 1HA GLY 10 HA2 GLY 10 0.352 -2.498 -0.635 80 2HA GLY 10 HA1 GLY 10 1.503 -3.056 0.574 81 H SER 11 HN SER 11 0.962 -0.688 2.270 82 HA SER 11 HA SER 11 -1.210 -1.811 3.769 83 1HB SER 11 HB2 SER 11 0.788 0.340 4.162 84 2HB SER 11 HB1 SER 11 -0.753 0.579 4.986 85 HG SER 11 HG SER 11 -0.460 -1.554 5.868 86 H ALA 12 HN ALA 12 -0.658 1.155 1.926 87 HA ALA 12 HA ALA 12 -3.307 2.134 2.275 88 1HB ALA 12 HB1 ALA 12 -1.242 2.900 0.218 89 2HB ALA 12 HB2 ALA 12 -1.430 3.640 1.808 90 3HB ALA 12 HB3 ALA 12 -2.707 3.804 0.603 91 H LEU 13 HN LEU 13 -2.004 -0.347 0.507 92 HA LEU 13 HA LEU 13 -3.608 -0.211 -1.844 93 1HB LEU 13 HB2 LEU 13 -2.277 -1.879 -2.532 94 2HB LEU 13 HB1 LEU 13 -1.373 -1.611 -1.050 95 HG LEU 13 HG LEU 13 -2.923 -3.342 0.017 96 1HD1 LEU 13 HD11 LEU 13 -3.833 -3.413 -2.777 97 2HD1 LEU 13 HD12 LEU 13 -4.666 -3.887 -1.297 98 3HD1 LEU 13 HD13 LEU 13 -3.515 -4.989 -2.052 99 1HD2 LEU 13 HD21 LEU 13 -1.614 -5.179 -1.483 100 2HD2 LEU 13 HD22 LEU 13 -0.877 -4.263 -0.169 101 3HD2 LEU 13 HD23 LEU 13 -0.675 -3.729 -1.838 102 H GLY 14 HN GLY 14 -3.973 -1.520 1.368 103 1HA GLY 14 HA2 GLY 14 -6.322 -3.078 0.647 104 2HA GLY 14 HA1 GLY 14 -5.634 -2.901 2.260 105 H GLY 15 HN GLY 15 -5.506 0.064 1.772 106 1HA GLY 15 HA2 GLY 15 -8.019 0.700 2.960 107 2HA GLY 15 HA1 GLY 15 -6.758 1.836 2.498 108 H LEU 16 HN LEU 16 -6.556 1.281 -0.224 109 HA LEU 16 HA LEU 16 -8.863 2.675 -1.211 110 1HB LEU 16 HB2 LEU 16 -6.281 2.675 -1.952 111 2HB LEU 16 HB1 LEU 16 -6.892 1.480 -3.079 112 HG LEU 16 HG LEU 16 -8.710 3.571 -3.284 113 1HD1 LEU 16 HD11 LEU 16 -5.970 4.585 -2.706 114 2HD1 LEU 16 HD12 LEU 16 -7.538 5.250 -2.250 115 3HD1 LEU 16 HD13 LEU 16 -6.961 5.411 -3.908 116 1HD2 LEU 16 HD21 LEU 16 -6.306 2.948 -4.993 117 2HD2 LEU 16 HD22 LEU 16 -7.709 3.894 -5.492 118 3HD2 LEU 16 HD23 LEU 16 -7.891 2.183 -5.106 119 H LEU 17 HN LEU 17 -7.776 -0.546 -0.944 120 HA LEU 17 HA LEU 17 -9.360 -1.681 -2.995 121 1HB LEU 17 HB2 LEU 17 -7.352 -2.811 -2.425 122 2HB LEU 17 HB1 LEU 17 -7.761 -2.819 -0.723 123 HG LEU 17 HG LEU 17 -9.778 -4.315 -1.553 124 1HD1 LEU 17 HD11 LEU 17 -8.078 -5.652 -3.407 125 2HD1 LEU 17 HD12 LEU 17 -8.295 -3.983 -3.932 126 3HD1 LEU 17 HD13 LEU 17 -9.701 -5.010 -3.653 127 1HD2 LEU 17 HD21 LEU 17 -7.014 -5.489 -1.396 128 2HD2 LEU 17 HD22 LEU 17 -8.542 -6.231 -0.920 129 3HD2 LEU 17 HD23 LEU 17 -7.888 -4.884 0.011 130 H LYS 18 HN LYS 18 -9.817 -0.776 0.270 131 HA LYS 18 HA LYS 18 -11.771 -2.556 1.039 132 1HB LYS 18 HB2 LYS 18 -11.642 -1.430 2.957 133 2HB LYS 18 HB1 LYS 18 -10.482 -0.381 2.167 134 1HG LYS 18 HG2 LYS 18 -12.996 0.618 1.466 135 2HG LYS 18 HG1 LYS 18 -13.101 0.212 3.173 136 1HD LYS 18 HD2 LYS 18 -12.061 2.126 3.615 137 2HD LYS 18 HD1 LYS 18 -10.620 1.466 2.839 138 1HE LYS 18 HE2 LYS 18 -10.839 3.238 1.467 139 2HE LYS 18 HE1 LYS 18 -12.055 2.233 0.675 140 1HZ LYS 18 HZ1 LYS 18 -12.390 4.700 2.010 141 2HZ LYS 18 HZ2 LYS 18 -13.321 3.521 2.786 142 3HZ LYS 18 HZ3 LYS 18 -13.529 3.809 1.134 143 H LYS 19 HN LYS 19 -12.143 0.628 -0.498 144 HA LYS 19 HA LYS 19 -14.995 0.126 -0.815 145 1HB LYS 19 HB2 LYS 19 -15.274 2.362 -0.998 146 2HB LYS 19 HB1 LYS 19 -13.713 2.392 -0.198 147 1HG LYS 19 HG2 LYS 19 -14.268 2.726 -3.126 148 2HG LYS 19 HG1 LYS 19 -13.672 3.943 -2.002 149 1HD LYS 19 HD2 LYS 19 -12.146 1.419 -2.484 150 2HD LYS 19 HD1 LYS 19 -12.003 2.772 -3.595 151 1HE LYS 19 HE2 LYS 19 -10.996 2.421 -0.851 152 2HE LYS 19 HE1 LYS 19 -10.306 3.294 -2.215 153 1HZ LYS 19 HZ1 LYS 19 -12.486 4.236 -0.437 154 2HZ LYS 19 HZ2 LYS 19 -11.977 5.050 -1.828 155 3HZ LYS 19 HZ3 LYS 19 -10.913 4.852 -0.527 156 H ILE 20 HN ILE 20 -12.163 -0.405 -2.516 157 HA ILE 20 HA ILE 20 -12.790 0.177 -5.138 158 HB ILE 20 HB ILE 20 -10.618 -0.815 -4.066 159 1HG1 ILE 20 HG12 ILE 20 -10.905 -1.949 -6.759 160 2HG1 ILE 20 HG11 ILE 20 -11.449 -0.280 -6.627 161 1HG2 ILE 20 HG21 ILE 20 -11.420 -3.354 -5.362 162 2HG2 ILE 20 HG22 ILE 20 -12.050 -3.038 -3.745 163 3HG2 ILE 20 HG23 ILE 20 -10.310 -3.061 -4.026 164 1HD1 ILE 20 HD11 ILE 20 -8.723 -1.404 -6.114 165 2HD1 ILE 20 HD12 ILE 20 -9.210 0.178 -5.504 166 3HD1 ILE 20 HD13 ILE 20 -9.206 -0.135 -7.239 Start of MODEL 10 1 1H ILE 1 HT1 ILE 1 16.207 -4.705 1.296 2 2H ILE 1 HT2 ILE 1 14.656 -5.070 1.929 3 3H ILE 1 HT3 ILE 1 15.460 -3.630 2.398 4 HA ILE 1 HA ILE 1 15.000 -4.070 -0.421 5 HB ILE 1 HB ILE 1 12.742 -3.157 -0.323 6 1HG1 ILE 1 HG12 ILE 1 12.966 -1.995 1.873 7 2HG1 ILE 1 HG11 ILE 1 11.502 -2.956 1.740 8 1HG2 ILE 1 HG21 ILE 1 12.773 -5.582 1.439 9 2HG2 ILE 1 HG22 ILE 1 13.278 -5.653 -0.249 10 3HG2 ILE 1 HG23 ILE 1 11.636 -5.155 0.160 11 1HD1 ILE 1 HD11 ILE 1 13.003 -4.778 2.906 12 2HD1 ILE 1 HD12 ILE 1 12.166 -3.533 3.830 13 3HD1 ILE 1 HD13 ILE 1 13.880 -3.353 3.461 14 H ILE 2 HN ILE 2 14.859 -1.937 2.423 15 HA ILE 2 HA ILE 2 15.528 0.216 2.721 16 HB ILE 2 HB ILE 2 16.856 0.020 0.019 17 1HG1 ILE 2 HG12 ILE 2 18.769 -0.313 2.052 18 2HG1 ILE 2 HG11 ILE 2 17.436 -1.380 2.484 19 1HG2 ILE 2 HG21 ILE 2 17.183 1.843 2.383 20 2HG2 ILE 2 HG22 ILE 2 16.831 2.266 0.708 21 3HG2 ILE 2 HG23 ILE 2 18.431 1.669 1.149 22 1HD1 ILE 2 HD11 ILE 2 19.136 -1.405 0.022 23 2HD1 ILE 2 HD12 ILE 2 17.569 -2.212 0.072 24 3HD1 ILE 2 HD13 ILE 2 18.846 -2.696 1.187 25 H GLY 3 HN GLY 3 13.170 0.575 2.415 26 1HA GLY 3 HA2 GLY 3 12.657 2.855 0.914 27 2HA GLY 3 HA1 GLY 3 12.136 1.492 -0.065 28 HA PRO 4 HA PRO 4 9.466 1.853 4.068 29 1HB PRO 4 HB2 PRO 4 9.237 4.802 3.992 30 2HB PRO 4 HB1 PRO 4 9.406 3.724 5.381 31 1HG PRO 4 HG2 PRO 4 11.445 5.242 4.560 32 2HG PRO 4 HG1 PRO 4 11.708 3.598 5.173 33 1HD PRO 4 HD2 PRO 4 11.689 4.591 2.350 34 2HD PRO 4 HD1 PRO 4 12.745 3.385 3.115 35 H VAL 5 HN VAL 5 9.417 3.607 1.119 36 HA VAL 5 HA VAL 5 6.744 4.366 0.914 37 HB VAL 5 HB VAL 5 8.383 3.316 -1.385 38 1HG1 VAL 5 HG11 VAL 5 6.191 3.740 -2.106 39 2HG1 VAL 5 HG12 VAL 5 7.100 5.180 -2.564 40 3HG1 VAL 5 HG13 VAL 5 6.064 5.208 -1.137 41 1HG2 VAL 5 HG21 VAL 5 9.908 4.842 -0.710 42 2HG2 VAL 5 HG22 VAL 5 8.739 5.738 0.261 43 3HG2 VAL 5 HG23 VAL 5 8.800 5.975 -1.485 44 H LEU 6 HN LEU 6 8.274 1.390 -0.304 45 HA LEU 6 HA LEU 6 6.074 0.090 -1.297 46 1HB LEU 6 HB2 LEU 6 8.381 -1.153 0.201 47 2HB LEU 6 HB1 LEU 6 7.279 -2.009 -0.861 48 HG LEU 6 HG LEU 6 8.608 0.280 -2.128 49 1HD1 LEU 6 HD11 LEU 6 10.235 -2.102 -1.253 50 2HD1 LEU 6 HD12 LEU 6 10.436 -0.442 -0.694 51 3HD1 LEU 6 HD13 LEU 6 10.761 -0.850 -2.378 52 1HD2 LEU 6 HD21 LEU 6 8.871 -2.459 -3.173 53 2HD2 LEU 6 HD22 LEU 6 8.367 -0.975 -3.982 54 3HD2 LEU 6 HD23 LEU 6 7.220 -1.868 -2.984 55 H GLY 7 HN GLY 7 6.920 0.643 2.024 56 1HA GLY 7 HA2 GLY 7 5.147 -1.357 3.091 57 2HA GLY 7 HA1 GLY 7 5.984 -0.105 4.001 58 H LEU 8 HN LEU 8 4.946 1.998 2.188 59 HA LEU 8 HA LEU 8 2.517 2.477 3.618 60 1HB LEU 8 HB2 LEU 8 3.523 4.111 1.305 61 2HB LEU 8 HB1 LEU 8 2.513 4.633 2.640 62 HG LEU 8 HG LEU 8 5.370 3.763 3.011 63 1HD1 LEU 8 HD11 LEU 8 4.562 6.630 2.978 64 2HD1 LEU 8 HD12 LEU 8 4.894 5.809 1.453 65 3HD1 LEU 8 HD13 LEU 8 6.142 5.899 2.695 66 1HD2 LEU 8 HD21 LEU 8 4.476 3.733 5.108 67 2HD2 LEU 8 HD22 LEU 8 3.244 4.933 4.720 68 3HD2 LEU 8 HD23 LEU 8 4.909 5.439 5.004 69 H VAL 9 HN VAL 9 3.375 1.955 0.215 70 HA VAL 9 HA VAL 9 0.782 2.107 -0.835 71 HB VAL 9 HB VAL 9 3.014 0.350 -1.867 72 1HG1 VAL 9 HG11 VAL 9 0.340 0.969 -2.794 73 2HG1 VAL 9 HG12 VAL 9 1.484 -0.241 -3.378 74 3HG1 VAL 9 HG13 VAL 9 1.564 1.413 -3.985 75 1HG2 VAL 9 HG21 VAL 9 2.629 3.278 -1.894 76 2HG2 VAL 9 HG22 VAL 9 3.136 2.541 -3.414 77 3HG2 VAL 9 HG23 VAL 9 4.113 2.327 -1.961 78 H GLY 10 HN GLY 10 2.608 -0.610 0.511 79 1HA GLY 10 HA2 GLY 10 0.744 -2.640 -0.074 80 2HA GLY 10 HA1 GLY 10 1.938 -2.690 1.218 81 H SER 11 HN SER 11 0.825 -0.160 2.338 82 HA SER 11 HA SER 11 -1.166 -1.394 4.020 83 1HB SER 11 HB2 SER 11 0.678 0.251 4.777 84 2HB SER 11 HB1 SER 11 -0.364 1.512 4.116 85 HG SER 11 HG SER 11 -1.220 -0.396 6.031 86 H ALA 12 HN ALA 12 -0.983 1.252 1.688 87 HA ALA 12 HA ALA 12 -3.751 1.896 1.845 88 1HB ALA 12 HB1 ALA 12 -1.907 2.545 -0.439 89 2HB ALA 12 HB2 ALA 12 -1.917 3.451 1.074 90 3HB ALA 12 HB3 ALA 12 -3.361 3.409 0.062 91 H LEU 13 HN LEU 13 -2.091 -0.672 0.589 92 HA LEU 13 HA LEU 13 -3.609 -1.183 -1.765 93 1HB LEU 13 HB2 LEU 13 -2.062 -2.774 -2.100 94 2HB LEU 13 HB1 LEU 13 -1.253 -2.111 -0.691 95 HG LEU 13 HG LEU 13 -2.616 -3.788 0.678 96 1HD1 LEU 13 HD11 LEU 13 -3.918 -5.314 -0.310 97 2HD1 LEU 13 HD12 LEU 13 -2.750 -5.610 -1.597 98 3HD1 LEU 13 HD13 LEU 13 -3.871 -4.255 -1.719 99 1HD2 LEU 13 HD21 LEU 13 -0.527 -4.571 0.747 100 2HD2 LEU 13 HD22 LEU 13 -0.221 -4.132 -0.933 101 3HD2 LEU 13 HD23 LEU 13 -1.004 -5.665 -0.550 102 H GLY 14 HN GLY 14 -3.901 -1.960 1.633 103 1HA GLY 14 HA2 GLY 14 -6.085 -3.831 1.144 104 2HA GLY 14 HA1 GLY 14 -5.410 -3.396 2.712 105 H GLY 15 HN GLY 15 -5.513 -0.550 2.128 106 1HA GLY 15 HA2 GLY 15 -8.179 -0.056 3.048 107 2HA GLY 15 HA1 GLY 15 -6.926 1.142 2.758 108 H LEU 16 HN LEU 16 -6.455 0.310 0.008 109 HA LEU 16 HA LEU 16 -8.513 1.867 -1.246 110 1HB LEU 16 HB2 LEU 16 -6.167 2.039 -1.934 111 2HB LEU 16 HB1 LEU 16 -6.175 0.352 -2.409 112 HG LEU 16 HG LEU 16 -8.287 1.531 -3.834 113 1HD1 LEU 16 HD11 LEU 16 -7.280 3.720 -3.244 114 2HD1 LEU 16 HD12 LEU 16 -7.296 3.394 -4.978 115 3HD1 LEU 16 HD13 LEU 16 -5.800 3.217 -4.061 116 1HD2 LEU 16 HD21 LEU 16 -5.495 0.747 -4.654 117 2HD2 LEU 16 HD22 LEU 16 -6.808 1.092 -5.779 118 3HD2 LEU 16 HD23 LEU 16 -6.935 -0.271 -4.666 119 H LEU 17 HN LEU 17 -7.914 -1.424 -0.632 120 HA LEU 17 HA LEU 17 -9.401 -2.512 -2.776 121 1HB LEU 17 HB2 LEU 17 -8.152 -3.609 -0.310 122 2HB LEU 17 HB1 LEU 17 -9.306 -4.581 -1.201 123 HG LEU 17 HG LEU 17 -6.884 -3.383 -2.522 124 1HD1 LEU 17 HD11 LEU 17 -6.294 -4.858 -0.559 125 2HD1 LEU 17 HD12 LEU 17 -5.657 -5.361 -2.124 126 3HD1 LEU 17 HD13 LEU 17 -7.059 -6.181 -1.437 127 1HD2 LEU 17 HD21 LEU 17 -8.716 -5.675 -3.219 128 2HD2 LEU 17 HD22 LEU 17 -7.275 -5.214 -4.125 129 3HD2 LEU 17 HD23 LEU 17 -8.642 -4.105 -4.019 130 H LYS 18 HN LYS 18 -10.119 -1.253 0.316 131 HA LYS 18 HA LYS 18 -12.401 -2.689 0.914 132 1HB LYS 18 HB2 LYS 18 -12.358 -1.446 2.763 133 2HB LYS 18 HB1 LYS 18 -10.960 -0.632 2.087 134 1HG LYS 18 HG2 LYS 18 -13.156 0.666 0.973 135 2HG LYS 18 HG1 LYS 18 -13.591 0.385 2.653 136 1HD LYS 18 HD2 LYS 18 -12.404 2.221 3.108 137 2HD LYS 18 HD1 LYS 18 -10.971 1.238 2.793 138 1HE LYS 18 HE2 LYS 18 -10.538 2.878 1.297 139 2HE LYS 18 HE1 LYS 18 -11.604 1.905 0.281 140 1HZ LYS 18 HZ1 LYS 18 -12.472 4.220 1.931 141 2HZ LYS 18 HZ2 LYS 18 -13.443 3.322 0.877 142 3HZ LYS 18 HZ3 LYS 18 -12.185 4.271 0.263 143 H LYS 19 HN LYS 19 -12.073 0.392 -0.843 144 HA LYS 19 HA LYS 19 -14.891 0.265 -1.554 145 1HB LYS 19 HB2 LYS 19 -14.827 2.499 -1.801 146 2HB LYS 19 HB1 LYS 19 -13.338 2.371 -0.880 147 1HG LYS 19 HG2 LYS 19 -13.590 2.546 -3.869 148 2HG LYS 19 HG1 LYS 19 -13.011 3.803 -2.778 149 1HD LYS 19 HD2 LYS 19 -11.704 1.117 -3.053 150 2HD LYS 19 HD1 LYS 19 -11.224 2.522 -3.999 151 1HE LYS 19 HE2 LYS 19 -11.394 3.155 -1.199 152 2HE LYS 19 HE1 LYS 19 -10.336 1.770 -1.471 153 1HZ LYS 19 HZ1 LYS 19 -10.107 4.478 -2.662 154 2HZ LYS 19 HZ2 LYS 19 -9.201 3.153 -3.191 155 3HZ LYS 19 HZ3 LYS 19 -9.018 3.723 -1.609 156 H ILE 20 HN ILE 20 -11.965 -0.776 -2.779 157 HA ILE 20 HA ILE 20 -12.015 -0.291 -5.463 158 HB ILE 20 HB ILE 20 -10.302 -1.618 -4.097 159 1HG1 ILE 20 HG12 ILE 20 -10.669 -3.059 -6.651 160 2HG1 ILE 20 HG11 ILE 20 -10.677 -1.302 -6.768 161 1HG2 ILE 20 HG21 ILE 20 -12.294 -3.394 -3.722 162 2HG2 ILE 20 HG22 ILE 20 -10.583 -3.812 -3.641 163 3HG2 ILE 20 HG23 ILE 20 -11.494 -4.114 -5.119 164 1HD1 ILE 20 HD11 ILE 20 -8.484 -1.135 -6.319 165 2HD1 ILE 20 HD12 ILE 20 -8.459 -2.806 -6.882 166 3HD1 ILE 20 HD13 ILE 20 -8.510 -2.458 -5.154 Start of MODEL 11 1 1H ILE 1 HT1 ILE 1 14.786 -1.174 5.399 2 2H ILE 1 HT2 ILE 1 13.628 -1.106 4.134 3 3H ILE 1 HT3 ILE 1 14.922 0.020 4.178 4 HA ILE 1 HA ILE 1 16.452 -1.462 3.517 5 HB ILE 1 HB ILE 1 15.614 -4.006 3.430 6 1HG1 ILE 1 HG12 ILE 1 14.564 -3.370 6.123 7 2HG1 ILE 1 HG11 ILE 1 13.510 -2.957 4.777 8 1HG2 ILE 1 HG21 ILE 1 17.620 -3.802 4.442 9 2HG2 ILE 1 HG22 ILE 1 16.654 -4.035 5.899 10 3HG2 ILE 1 HG23 ILE 1 17.119 -2.409 5.400 11 1HD1 ILE 1 HD11 ILE 1 14.569 -5.585 4.399 12 2HD1 ILE 1 HD12 ILE 1 12.892 -5.066 4.565 13 3HD1 ILE 1 HD13 ILE 1 13.842 -5.449 6.000 14 H ILE 2 HN ILE 2 13.179 -2.747 2.891 15 HA ILE 2 HA ILE 2 13.780 -2.940 0.059 16 HB ILE 2 HB ILE 2 11.461 -3.868 -0.105 17 1HG1 ILE 2 HG12 ILE 2 11.470 -4.004 2.896 18 2HG1 ILE 2 HG11 ILE 2 10.792 -2.604 2.071 19 1HG2 ILE 2 HG21 ILE 2 12.856 -5.633 -0.008 20 2HG2 ILE 2 HG22 ILE 2 12.148 -5.850 1.593 21 3HG2 ILE 2 HG23 ILE 2 13.698 -5.025 1.418 22 1HD1 ILE 2 HD11 ILE 2 9.168 -3.969 0.968 23 2HD1 ILE 2 HD12 ILE 2 9.124 -4.320 2.696 24 3HD1 ILE 2 HD13 ILE 2 9.918 -5.439 1.588 25 H GLY 3 HN GLY 3 13.113 -0.375 1.829 26 1HA GLY 3 HA2 GLY 3 12.545 1.736 0.940 27 2HA GLY 3 HA1 GLY 3 11.670 0.932 -0.354 28 HA PRO 4 HA PRO 4 9.035 1.338 3.825 29 1HB PRO 4 HB2 PRO 4 9.537 4.257 3.978 30 2HB PRO 4 HB1 PRO 4 9.347 3.080 5.282 31 1HG PRO 4 HG2 PRO 4 11.748 4.064 4.667 32 2HG PRO 4 HG1 PRO 4 11.547 2.366 5.138 33 1HD PRO 4 HD2 PRO 4 11.961 3.546 2.423 34 2HD PRO 4 HD1 PRO 4 12.598 2.036 3.107 35 H VAL 5 HN VAL 5 9.491 3.343 1.066 36 HA VAL 5 HA VAL 5 6.937 4.554 0.964 37 HB VAL 5 HB VAL 5 8.680 3.863 -1.401 38 1HG1 VAL 5 HG11 VAL 5 6.442 5.807 -0.938 39 2HG1 VAL 5 HG12 VAL 5 6.612 4.594 -2.207 40 3HG1 VAL 5 HG13 VAL 5 7.617 6.043 -2.232 41 1HG2 VAL 5 HG21 VAL 5 9.611 6.163 -1.100 42 2HG2 VAL 5 HG22 VAL 5 10.073 5.021 0.163 43 3HG2 VAL 5 HG23 VAL 5 8.817 6.220 0.474 44 H LEU 6 HN LEU 6 8.254 1.760 -0.810 45 HA LEU 6 HA LEU 6 5.869 1.001 -2.045 46 1HB LEU 6 HB2 LEU 6 8.187 -0.754 -1.235 47 2HB LEU 6 HB1 LEU 6 6.954 -1.165 -2.411 48 HG LEU 6 HG LEU 6 8.488 1.321 -2.916 49 1HD1 LEU 6 HD11 LEU 6 10.438 0.274 -3.675 50 2HD1 LEU 6 HD12 LEU 6 9.720 -1.334 -3.577 51 3HD1 LEU 6 HD13 LEU 6 10.126 -0.457 -2.101 52 1HD2 LEU 6 HD21 LEU 6 6.678 -0.237 -4.303 53 2HD2 LEU 6 HD22 LEU 6 8.230 -0.653 -5.030 54 3HD2 LEU 6 HD23 LEU 6 7.702 1.029 -4.981 55 H GLY 7 HN GLY 7 7.083 0.462 1.164 56 1HA GLY 7 HA2 GLY 7 5.227 -1.653 1.784 57 2HA GLY 7 HA1 GLY 7 6.291 -0.827 2.915 58 H LEU 8 HN LEU 8 5.341 1.822 2.039 59 HA LEU 8 HA LEU 8 3.117 1.970 3.821 60 1HB LEU 8 HB2 LEU 8 3.682 4.112 4.076 61 2HB LEU 8 HB1 LEU 8 5.111 3.701 3.153 62 HG LEU 8 HG LEU 8 3.391 4.301 1.156 63 1HD1 LEU 8 HD11 LEU 8 1.543 5.067 2.289 64 2HD1 LEU 8 HD12 LEU 8 2.434 6.564 2.008 65 3HD1 LEU 8 HD13 LEU 8 2.504 5.778 3.586 66 1HD2 LEU 8 HD21 LEU 8 5.212 5.521 0.779 67 2HD2 LEU 8 HD22 LEU 8 5.615 5.558 2.496 68 3HD2 LEU 8 HD23 LEU 8 4.511 6.758 1.823 69 H VAL 9 HN VAL 9 3.596 2.356 0.351 70 HA VAL 9 HA VAL 9 0.907 3.092 -0.210 71 HB VAL 9 HB VAL 9 2.875 1.745 -2.069 72 1HG1 VAL 9 HG11 VAL 9 1.267 1.837 -3.601 73 2HG1 VAL 9 HG12 VAL 9 1.100 3.574 -3.350 74 3HG1 VAL 9 HG13 VAL 9 0.149 2.447 -2.380 75 1HG2 VAL 9 HG21 VAL 9 2.674 4.504 -1.052 76 2HG2 VAL 9 HG22 VAL 9 2.904 4.342 -2.793 77 3HG2 VAL 9 HG23 VAL 9 4.067 3.624 -1.678 78 H GLY 10 HN GLY 10 2.645 0.055 0.068 79 1HA GLY 10 HA2 GLY 10 0.666 -1.652 -0.995 80 2HA GLY 10 HA1 GLY 10 1.921 -2.122 0.146 81 H SER 11 HN SER 11 1.014 -0.047 2.066 82 HA SER 11 HA SER 11 -0.879 -1.671 3.470 83 1HB SER 11 HB2 SER 11 0.205 1.086 4.105 84 2HB SER 11 HB1 SER 11 -0.755 0.096 5.204 85 HG SER 11 HG SER 11 0.927 -1.491 5.055 86 H ALA 12 HN ALA 12 -0.942 1.553 1.988 87 HA ALA 12 HA ALA 12 -3.730 1.923 2.464 88 1HB ALA 12 HB1 ALA 12 -2.878 3.999 2.256 89 2HB ALA 12 HB2 ALA 12 -3.170 3.735 0.537 90 3HB ALA 12 HB3 ALA 12 -1.564 3.457 1.211 91 H LEU 13 HN LEU 13 -1.880 0.278 0.215 92 HA LEU 13 HA LEU 13 -3.626 0.388 -2.032 93 1HB LEU 13 HB2 LEU 13 -1.174 -1.054 -1.257 94 2HB LEU 13 HB1 LEU 13 -2.180 -1.813 -2.479 95 HG LEU 13 HG LEU 13 -1.205 1.025 -2.717 96 1HD1 LEU 13 HD11 LEU 13 0.834 0.035 -2.820 97 2HD1 LEU 13 HD12 LEU 13 0.321 -0.252 -4.483 98 3HD1 LEU 13 HD13 LEU 13 0.174 -1.535 -3.281 99 1HD2 LEU 13 HD21 LEU 13 -3.194 -0.110 -4.060 100 2HD2 LEU 13 HD22 LEU 13 -1.851 -0.726 -5.024 101 3HD2 LEU 13 HD23 LEU 13 -2.068 1.013 -4.823 102 H GLY 14 HN GLY 14 -3.312 -1.669 0.777 103 1HA GLY 14 HA2 GLY 14 -5.209 -3.612 -0.283 104 2HA GLY 14 HA1 GLY 14 -4.397 -3.687 1.278 105 H GLY 15 HN GLY 15 -5.053 -0.910 1.887 106 1HA GLY 15 HA2 GLY 15 -7.597 -1.377 3.116 107 2HA GLY 15 HA1 GLY 15 -6.621 0.080 3.236 108 H LEU 16 HN LEU 16 -6.422 0.468 0.363 109 HA LEU 16 HA LEU 16 -8.885 1.884 -0.024 110 1HB LEU 16 HB2 LEU 16 -6.518 2.594 -0.738 111 2HB LEU 16 HB1 LEU 16 -6.730 1.490 -2.082 112 HG LEU 16 HG LEU 16 -8.861 3.511 -1.662 113 1HD1 LEU 16 HD11 LEU 16 -7.030 4.959 -1.327 114 2HD1 LEU 16 HD12 LEU 16 -7.484 5.137 -3.022 115 3HD1 LEU 16 HD13 LEU 16 -6.077 4.168 -2.582 116 1HD2 LEU 16 HD21 LEU 16 -7.581 2.040 -3.917 117 2HD2 LEU 16 HD22 LEU 16 -8.419 3.558 -4.240 118 3HD2 LEU 16 HD23 LEU 16 -9.288 2.210 -3.506 119 H LEU 17 HN LEU 17 -7.612 -1.166 -0.828 120 HA LEU 17 HA LEU 17 -9.194 -1.673 -3.115 121 1HB LEU 17 HB2 LEU 17 -7.268 -3.176 -1.478 122 2HB LEU 17 HB1 LEU 17 -8.464 -4.123 -2.338 123 HG LEU 17 HG LEU 17 -6.866 -2.070 -3.814 124 1HD1 LEU 17 HD11 LEU 17 -5.721 -4.681 -4.092 125 2HD1 LEU 17 HD12 LEU 17 -5.688 -4.193 -2.398 126 3HD1 LEU 17 HD13 LEU 17 -4.948 -3.167 -3.627 127 1HD2 LEU 17 HD21 LEU 17 -8.591 -4.384 -4.428 128 2HD2 LEU 17 HD22 LEU 17 -7.170 -4.178 -5.452 129 3HD2 LEU 17 HD23 LEU 17 -8.352 -2.876 -5.312 130 H LYS 18 HN LYS 18 -9.630 -1.882 0.268 131 HA LYS 18 HA LYS 18 -11.478 -3.926 0.399 132 1HB LYS 18 HB2 LYS 18 -11.432 -3.490 2.586 133 2HB LYS 18 HB1 LYS 18 -10.282 -2.224 2.205 134 1HG LYS 18 HG2 LYS 18 -12.826 -1.103 1.831 135 2HG LYS 18 HG1 LYS 18 -12.906 -2.026 3.325 136 1HD LYS 18 HD2 LYS 18 -11.910 -0.319 4.341 137 2HD LYS 18 HD1 LYS 18 -10.458 -0.673 3.402 138 1HE LYS 18 HE2 LYS 18 -10.715 1.420 2.628 139 2HE LYS 18 HE1 LYS 18 -11.944 0.698 1.587 140 1HZ LYS 18 HZ1 LYS 18 -12.834 1.492 4.238 141 2HZ LYS 18 HZ2 LYS 18 -13.602 1.663 2.740 142 3HZ LYS 18 HZ3 LYS 18 -12.403 2.762 3.205 143 H LYS 19 HN LYS 19 -12.017 -0.440 -0.030 144 HA LYS 19 HA LYS 19 -14.845 -0.946 -0.508 145 1HB LYS 19 HB2 LYS 19 -15.234 1.206 0.053 146 2HB LYS 19 HB1 LYS 19 -13.660 1.062 0.815 147 1HG LYS 19 HG2 LYS 19 -14.271 2.269 -1.865 148 2HG LYS 19 HG1 LYS 19 -13.762 3.115 -0.407 149 1HD LYS 19 HD2 LYS 19 -12.075 0.985 -1.661 150 2HD LYS 19 HD1 LYS 19 -12.001 2.652 -2.217 151 1HE LYS 19 HE2 LYS 19 -10.926 1.393 0.191 152 2HE LYS 19 HE1 LYS 19 -10.394 2.830 -0.675 153 1HZ LYS 19 HZ1 LYS 19 -12.112 4.111 0.408 154 2HZ LYS 19 HZ2 LYS 19 -11.158 3.341 1.573 155 3HZ LYS 19 HZ3 LYS 19 -12.692 2.735 1.203 156 H ILE 20 HN ILE 20 -12.010 -0.778 -2.267 157 HA ILE 20 HA ILE 20 -12.613 0.601 -4.559 158 HB ILE 20 HB ILE 20 -10.452 -0.638 -3.905 159 1HG1 ILE 20 HG12 ILE 20 -11.192 -0.875 -6.814 160 2HG1 ILE 20 HG11 ILE 20 -11.013 0.696 -6.038 161 1HG2 ILE 20 HG21 ILE 20 -10.173 -2.833 -4.353 162 2HG2 ILE 20 HG22 ILE 20 -11.215 -2.787 -5.774 163 3HG2 ILE 20 HG23 ILE 20 -11.926 -2.878 -4.163 164 1HD1 ILE 20 HD11 ILE 20 -8.882 0.543 -6.653 165 2HD1 ILE 20 HD12 ILE 20 -8.991 -1.195 -6.934 166 3HD1 ILE 20 HD13 ILE 20 -8.714 -0.581 -5.304 Start of MODEL 12 1 1H ILE 1 HT1 ILE 1 15.818 -3.942 4.014 2 2H ILE 1 HT2 ILE 1 14.929 -5.203 3.262 3 3H ILE 1 HT3 ILE 1 14.666 -4.833 4.917 4 HA ILE 1 HA ILE 1 12.990 -4.034 3.267 5 HB ILE 1 HB ILE 1 12.762 -1.842 4.431 6 1HG1 ILE 1 HG12 ILE 1 14.825 -2.286 6.403 7 2HG1 ILE 1 HG11 ILE 1 15.541 -2.140 4.802 8 1HG2 ILE 1 HG21 ILE 1 11.993 -4.065 5.351 9 2HG2 ILE 1 HG22 ILE 1 12.215 -2.774 6.532 10 3HG2 ILE 1 HG23 ILE 1 13.432 -4.040 6.371 11 1HD1 ILE 1 HD11 ILE 1 13.670 -0.151 6.064 12 2HD1 ILE 1 HD12 ILE 1 14.448 0.001 4.488 13 3HD1 ILE 1 HD13 ILE 1 15.424 0.004 5.958 14 H ILE 2 HN ILE 2 13.036 -3.459 1.204 15 HA ILE 2 HA ILE 2 15.060 -1.547 0.279 16 HB ILE 2 HB ILE 2 14.308 -2.217 -2.007 17 1HG1 ILE 2 HG12 ILE 2 13.061 -4.700 -1.128 18 2HG1 ILE 2 HG11 ILE 2 12.128 -3.287 -0.647 19 1HG2 ILE 2 HG21 ILE 2 15.761 -3.967 -2.060 20 2HG2 ILE 2 HG22 ILE 2 15.053 -4.743 -0.643 21 3HG2 ILE 2 HG23 ILE 2 16.125 -3.356 -0.446 22 1HD1 ILE 2 HD11 ILE 2 12.232 -4.551 -3.164 23 2HD1 ILE 2 HD12 ILE 2 12.939 -2.946 -3.346 24 3HD1 ILE 2 HD13 ILE 2 11.312 -3.124 -2.689 25 H GLY 3 HN GLY 3 14.028 0.319 1.172 26 1HA GLY 3 HA2 GLY 3 12.874 2.283 0.728 27 2HA GLY 3 HA1 GLY 3 12.113 1.489 -0.643 28 HA PRO 4 HA PRO 4 9.628 0.539 3.494 29 1HB PRO 4 HB2 PRO 4 9.988 3.193 4.742 30 2HB PRO 4 HB1 PRO 4 9.988 1.593 5.489 31 1HG PRO 4 HG2 PRO 4 12.255 2.977 5.187 32 2HG PRO 4 HG1 PRO 4 12.217 1.214 4.992 33 1HD PRO 4 HD2 PRO 4 12.289 3.353 2.898 34 2HD PRO 4 HD1 PRO 4 13.137 1.793 2.946 35 H VAL 5 HN VAL 5 9.889 3.379 1.591 36 HA VAL 5 HA VAL 5 7.422 4.609 2.026 37 HB VAL 5 HB VAL 5 8.781 4.412 -0.660 38 1HG1 VAL 5 HG11 VAL 5 7.852 6.858 -0.659 39 2HG1 VAL 5 HG12 VAL 5 6.753 6.223 0.566 40 3HG1 VAL 5 HG13 VAL 5 6.793 5.501 -1.043 41 1HG2 VAL 5 HG21 VAL 5 9.678 6.749 0.343 42 2HG2 VAL 5 HG22 VAL 5 10.575 5.234 0.438 43 3HG2 VAL 5 HG23 VAL 5 9.617 5.779 1.815 44 H LEU 6 HN LEU 6 8.299 2.253 -0.495 45 HA LEU 6 HA LEU 6 5.811 1.905 -1.639 46 1HB LEU 6 HB2 LEU 6 8.298 0.330 -1.471 47 2HB LEU 6 HB1 LEU 6 6.856 -0.593 -1.851 48 HG LEU 6 HG LEU 6 7.753 1.834 -3.403 49 1HD1 LEU 6 HD11 LEU 6 9.256 -0.280 -3.410 50 2HD1 LEU 6 HD12 LEU 6 8.810 0.475 -4.941 51 3HD1 LEU 6 HD13 LEU 6 7.969 -0.976 -4.395 52 1HD2 LEU 6 HD21 LEU 6 5.991 1.487 -4.796 53 2HD2 LEU 6 HD22 LEU 6 5.279 0.868 -3.306 54 3HD2 LEU 6 HD23 LEU 6 5.949 -0.250 -4.494 55 H GLY 7 HN GLY 7 7.022 0.753 1.396 56 1HA GLY 7 HA2 GLY 7 5.066 -1.301 1.775 57 2HA GLY 7 HA1 GLY 7 6.119 -0.619 3.010 58 H LEU 8 HN LEU 8 5.234 2.126 2.304 59 HA LEU 8 HA LEU 8 3.015 2.213 4.096 60 1HB LEU 8 HB2 LEU 8 4.044 4.512 2.450 61 2HB LEU 8 HB1 LEU 8 3.185 4.584 3.977 62 HG LEU 8 HG LEU 8 6.000 3.575 3.581 63 1HD1 LEU 8 HD11 LEU 8 6.496 5.748 3.622 64 2HD1 LEU 8 HD12 LEU 8 6.062 5.689 5.331 65 3HD1 LEU 8 HD13 LEU 8 4.871 6.201 4.135 66 1HD2 LEU 8 HD21 LEU 8 5.173 4.146 6.297 67 2HD2 LEU 8 HD22 LEU 8 5.951 2.710 5.632 68 3HD2 LEU 8 HD23 LEU 8 4.196 2.872 5.567 69 H VAL 9 HN VAL 9 3.515 2.960 0.666 70 HA VAL 9 HA VAL 9 0.829 3.640 0.111 71 HB VAL 9 HB VAL 9 2.819 2.426 -1.815 72 1HG1 VAL 9 HG11 VAL 9 1.141 2.551 -3.270 73 2HG1 VAL 9 HG12 VAL 9 1.174 4.304 -3.085 74 3HG1 VAL 9 HG13 VAL 9 0.099 3.331 -2.079 75 1HG2 VAL 9 HG21 VAL 9 2.433 5.254 -0.876 76 2HG2 VAL 9 HG22 VAL 9 3.191 4.875 -2.422 77 3HG2 VAL 9 HG23 VAL 9 3.917 4.302 -0.920 78 H GLY 10 HN GLY 10 2.579 0.613 0.278 79 1HA GLY 10 HA2 GLY 10 0.684 -1.065 -0.956 80 2HA GLY 10 HA1 GLY 10 1.874 -1.571 0.237 81 H SER 11 HN SER 11 0.857 0.384 2.204 82 HA SER 11 HA SER 11 -1.053 -1.304 3.466 83 1HB SER 11 HB2 SER 11 -0.099 1.489 4.139 84 2HB SER 11 HB1 SER 11 -1.170 0.538 5.167 85 HG SER 11 HG SER 11 0.493 -1.040 5.283 86 H ALA 12 HN ALA 12 -1.229 1.928 2.003 87 HA ALA 12 HA ALA 12 -4.050 2.147 2.319 88 1HB ALA 12 HB1 ALA 12 -1.945 3.737 0.951 89 2HB ALA 12 HB2 ALA 12 -3.116 4.236 2.171 90 3HB ALA 12 HB3 ALA 12 -3.629 4.004 0.500 91 H LEU 13 HN LEU 13 -2.024 0.538 0.210 92 HA LEU 13 HA LEU 13 -3.642 0.513 -2.134 93 1HB LEU 13 HB2 LEU 13 -1.189 -0.796 -1.164 94 2HB LEU 13 HB1 LEU 13 -2.090 -1.652 -2.404 95 HG LEU 13 HG LEU 13 -1.166 1.201 -2.696 96 1HD1 LEU 13 HD11 LEU 13 0.284 -1.321 -3.007 97 2HD1 LEU 13 HD12 LEU 13 0.889 0.328 -2.848 98 3HD1 LEU 13 HD13 LEU 13 0.353 -0.267 -4.419 99 1HD2 LEU 13 HD21 LEU 13 -1.819 1.045 -4.927 100 2HD2 LEU 13 HD22 LEU 13 -3.126 0.241 -4.057 101 3HD2 LEU 13 HD23 LEU 13 -1.895 -0.716 -4.882 102 H GLY 14 HN GLY 14 -3.353 -1.483 0.728 103 1HA GLY 14 HA2 GLY 14 -5.165 -3.496 -0.343 104 2HA GLY 14 HA1 GLY 14 -4.402 -3.512 1.246 105 H GLY 15 HN GLY 15 -5.166 -0.705 1.699 106 1HA GLY 15 HA2 GLY 15 -7.708 -1.209 2.914 107 2HA GLY 15 HA1 GLY 15 -6.799 0.295 2.958 108 H LEU 16 HN LEU 16 -6.580 0.440 0.032 109 HA LEU 16 HA LEU 16 -9.073 1.767 -0.468 110 1HB LEU 16 HB2 LEU 16 -6.445 1.535 -1.794 111 2HB LEU 16 HB1 LEU 16 -7.809 1.771 -2.870 112 HG LEU 16 HG LEU 16 -7.368 3.589 -0.522 113 1HD1 LEU 16 HD11 LEU 16 -5.950 3.555 -3.147 114 2HD1 LEU 16 HD12 LEU 16 -5.330 3.918 -1.536 115 3HD1 LEU 16 HD13 LEU 16 -6.334 5.096 -2.381 116 1HD2 LEU 16 HD21 LEU 16 -8.408 4.750 -2.946 117 2HD2 LEU 16 HD22 LEU 16 -9.124 4.682 -1.336 118 3HD2 LEU 16 HD23 LEU 16 -9.364 3.348 -2.464 119 H LEU 17 HN LEU 17 -7.637 -1.275 -1.116 120 HA LEU 17 HA LEU 17 -9.320 -2.033 -3.258 121 1HB LEU 17 HB2 LEU 17 -7.390 -3.513 -1.518 122 2HB LEU 17 HB1 LEU 17 -8.406 -4.350 -2.675 123 HG LEU 17 HG LEU 17 -6.669 -2.087 -3.584 124 1HD1 LEU 17 HD11 LEU 17 -5.514 -4.082 -2.216 125 2HD1 LEU 17 HD12 LEU 17 -4.756 -3.285 -3.594 126 3HD1 LEU 17 HD13 LEU 17 -5.590 -4.824 -3.814 127 1HD2 LEU 17 HD21 LEU 17 -8.483 -3.829 -4.815 128 2HD2 LEU 17 HD22 LEU 17 -6.882 -4.375 -5.312 129 3HD2 LEU 17 HD23 LEU 17 -7.373 -2.705 -5.597 130 H LYS 18 HN LYS 18 -9.537 -2.018 0.148 131 HA LYS 18 HA LYS 18 -11.224 -4.151 0.577 132 1HB LYS 18 HB2 LYS 18 -11.010 -3.509 2.699 133 2HB LYS 18 HB1 LYS 18 -10.067 -2.150 2.117 134 1HG LYS 18 HG2 LYS 18 -12.735 -1.368 1.862 135 2HG LYS 18 HG1 LYS 18 -12.626 -2.184 3.415 136 1HD LYS 18 HD2 LYS 18 -11.797 -0.295 4.246 137 2HD LYS 18 HD1 LYS 18 -10.354 -0.569 3.268 138 1HE LYS 18 HE2 LYS 18 -10.883 1.443 2.395 139 2HE LYS 18 HE1 LYS 18 -11.998 0.490 1.410 140 1HZ LYS 18 HZ1 LYS 18 -13.791 1.230 2.570 141 2HZ LYS 18 HZ2 LYS 18 -12.790 2.574 2.798 142 3HZ LYS 18 HZ3 LYS 18 -12.941 1.417 4.021 143 H LYS 19 HN LYS 19 -12.038 -0.760 -0.118 144 HA LYS 19 HA LYS 19 -14.850 -1.485 -0.352 145 1HB LYS 19 HB2 LYS 19 -15.348 0.689 0.024 146 2HB LYS 19 HB1 LYS 19 -13.727 0.712 0.694 147 1HG LYS 19 HG2 LYS 19 -14.563 1.606 -2.046 148 2HG LYS 19 HG1 LYS 19 -14.033 2.625 -0.711 149 1HD LYS 19 HD2 LYS 19 -12.279 0.482 -1.842 150 2HD LYS 19 HD1 LYS 19 -12.346 2.079 -2.573 151 1HE LYS 19 HE2 LYS 19 -11.073 1.157 -0.106 152 2HE LYS 19 HE1 LYS 19 -10.667 2.509 -1.160 153 1HZ LYS 19 HZ1 LYS 19 -11.342 3.254 1.044 154 2HZ LYS 19 HZ2 LYS 19 -12.848 2.510 0.856 155 3HZ LYS 19 HZ3 LYS 19 -12.419 3.808 -0.138 156 H ILE 20 HN ILE 20 -12.147 -1.288 -2.306 157 HA ILE 20 HA ILE 20 -12.997 -0.180 -4.667 158 HB ILE 20 HB ILE 20 -10.707 -1.192 -4.022 159 1HG1 ILE 20 HG12 ILE 20 -11.160 -1.873 -6.844 160 2HG1 ILE 20 HG11 ILE 20 -11.796 -0.298 -6.379 161 1HG2 ILE 20 HG21 ILE 20 -12.041 -3.555 -4.090 162 2HG2 ILE 20 HG22 ILE 20 -10.297 -3.386 -4.276 163 3HG2 ILE 20 HG23 ILE 20 -11.325 -3.520 -5.701 164 1HD1 ILE 20 HD11 ILE 20 -9.148 -0.989 -7.013 165 2HD1 ILE 20 HD12 ILE 20 -9.180 -0.595 -5.294 166 3HD1 ILE 20 HD13 ILE 20 -9.770 0.572 -6.478 Start of MODEL 13 1 1H ILE 1 HT1 ILE 1 14.158 -0.133 5.552 2 2H ILE 1 HT2 ILE 1 14.959 0.826 4.376 3 3H ILE 1 HT3 ILE 1 15.835 0.186 5.706 4 HA ILE 1 HA ILE 1 16.411 -1.197 4.033 5 HB ILE 1 HB ILE 1 13.938 -2.544 5.114 6 1HG1 ILE 1 HG12 ILE 1 16.675 -2.343 6.391 7 2HG1 ILE 1 HG11 ILE 1 15.236 -1.491 6.940 8 1HG2 ILE 1 HG21 ILE 1 14.803 -4.019 3.591 9 2HG2 ILE 1 HG22 ILE 1 15.706 -4.489 5.031 10 3HG2 ILE 1 HG23 ILE 1 16.458 -3.453 3.817 11 1HD1 ILE 1 HD11 ILE 1 14.177 -3.769 7.242 12 2HD1 ILE 1 HD12 ILE 1 15.473 -3.340 8.359 13 3HD1 ILE 1 HD13 ILE 1 15.795 -4.434 7.014 14 H ILE 2 HN ILE 2 16.287 -1.161 1.903 15 HA ILE 2 HA ILE 2 15.485 -1.313 -0.222 16 HB ILE 2 HB ILE 2 12.834 -2.137 0.959 17 1HG1 ILE 2 HG12 ILE 2 14.948 -4.051 0.006 18 2HG1 ILE 2 HG11 ILE 2 14.936 -3.482 1.672 19 1HG2 ILE 2 HG21 ILE 2 12.564 -3.288 -1.206 20 2HG2 ILE 2 HG22 ILE 2 14.088 -2.583 -1.745 21 3HG2 ILE 2 HG23 ILE 2 12.715 -1.540 -1.376 22 1HD1 ILE 2 HD11 ILE 2 13.799 -5.690 1.204 23 2HD1 ILE 2 HD12 ILE 2 12.540 -4.755 0.397 24 3HD1 ILE 2 HD13 ILE 2 12.867 -4.498 2.111 25 H GLY 3 HN GLY 3 12.647 -0.259 1.670 26 1HA GLY 3 HA2 GLY 3 12.706 2.429 1.248 27 2HA GLY 3 HA1 GLY 3 12.039 1.798 -0.249 28 HA PRO 4 HA PRO 4 9.006 1.539 3.621 29 1HB PRO 4 HB2 PRO 4 8.720 4.482 3.595 30 2HB PRO 4 HB1 PRO 4 8.791 3.372 4.967 31 1HG PRO 4 HG2 PRO 4 10.854 4.961 4.371 32 2HG PRO 4 HG1 PRO 4 11.105 3.310 4.968 33 1HD PRO 4 HD2 PRO 4 11.305 4.368 2.175 34 2HD PRO 4 HD1 PRO 4 12.333 3.184 3.009 35 H VAL 5 HN VAL 5 9.227 3.185 0.643 36 HA VAL 5 HA VAL 5 6.567 3.969 0.232 37 HB VAL 5 HB VAL 5 8.429 2.966 -1.916 38 1HG1 VAL 5 HG11 VAL 5 6.511 3.375 -3.054 39 2HG1 VAL 5 HG12 VAL 5 7.134 5.024 -3.019 40 3HG1 VAL 5 HG13 VAL 5 5.911 4.518 -1.853 41 1HG2 VAL 5 HG21 VAL 5 9.848 4.590 -1.364 42 2HG2 VAL 5 HG22 VAL 5 8.746 5.217 -0.139 43 3HG2 VAL 5 HG23 VAL 5 8.599 5.751 -1.813 44 H LEU 6 HN LEU 6 8.229 1.023 -0.889 45 HA LEU 6 HA LEU 6 6.007 -0.245 -1.972 46 1HB LEU 6 HB2 LEU 6 7.291 -2.258 -1.939 47 2HB LEU 6 HB1 LEU 6 8.377 -0.929 -2.296 48 HG LEU 6 HG LEU 6 8.768 -1.015 0.330 49 1HD1 LEU 6 HD11 LEU 6 7.536 -2.692 1.195 50 2HD1 LEU 6 HD12 LEU 6 8.897 -3.676 0.657 51 3HD1 LEU 6 HD13 LEU 6 7.444 -3.563 -0.336 52 1HD2 LEU 6 HD21 LEU 6 10.816 -1.675 -0.267 53 2HD2 LEU 6 HD22 LEU 6 10.183 -1.744 -1.912 54 3HD2 LEU 6 HD23 LEU 6 10.227 -3.203 -0.922 55 H GLY 7 HN GLY 7 7.033 0.094 1.328 56 1HA GLY 7 HA2 GLY 7 5.353 -2.016 2.332 57 2HA GLY 7 HA1 GLY 7 6.261 -0.853 3.287 58 H LEU 8 HN LEU 8 5.162 1.494 2.020 59 HA LEU 8 HA LEU 8 2.777 1.635 3.566 60 1HB LEU 8 HB2 LEU 8 2.828 3.925 3.307 61 2HB LEU 8 HB1 LEU 8 4.523 3.480 3.235 62 HG LEU 8 HG LEU 8 3.964 3.387 0.640 63 1HD1 LEU 8 HD11 LEU 8 1.617 4.476 1.684 64 2HD1 LEU 8 HD12 LEU 8 2.108 4.417 -0.009 65 3HD1 LEU 8 HD13 LEU 8 2.489 5.833 0.971 66 1HD2 LEU 8 HD21 LEU 8 5.130 5.399 0.426 67 2HD2 LEU 8 HD22 LEU 8 5.653 4.770 1.988 68 3HD2 LEU 8 HD23 LEU 8 4.448 6.056 1.914 69 H VAL 9 HN VAL 9 3.500 1.629 0.117 70 HA VAL 9 HA VAL 9 0.865 2.163 -0.750 71 HB VAL 9 HB VAL 9 3.041 0.625 -2.181 72 1HG1 VAL 9 HG11 VAL 9 1.465 1.836 -4.081 73 2HG1 VAL 9 HG12 VAL 9 0.288 1.287 -2.887 74 3HG1 VAL 9 HG13 VAL 9 1.401 0.134 -3.624 75 1HG2 VAL 9 HG21 VAL 9 2.278 3.543 -2.250 76 2HG2 VAL 9 HG22 VAL 9 3.424 2.776 -3.349 77 3HG2 VAL 9 HG23 VAL 9 3.776 2.856 -1.623 78 H GLY 10 HN GLY 10 2.604 -0.841 -0.043 79 1HA GLY 10 HA2 GLY 10 0.609 -2.633 -0.911 80 2HA GLY 10 HA1 GLY 10 1.854 -2.989 0.282 81 H SER 11 HN SER 11 0.924 -0.679 1.928 82 HA SER 11 HA SER 11 -1.039 -2.136 3.451 83 1HB SER 11 HB2 SER 11 0.434 0.462 3.867 84 2HB SER 11 HB1 SER 11 -0.894 -0.014 4.925 85 HG SER 11 HG SER 11 1.315 -1.702 4.397 86 H ALA 12 HN ALA 12 -0.867 0.900 1.653 87 HA ALA 12 HA ALA 12 -3.605 1.565 2.061 88 1HB ALA 12 HB1 ALA 12 -1.865 3.258 1.584 89 2HB ALA 12 HB2 ALA 12 -3.234 3.348 0.476 90 3HB ALA 12 HB3 ALA 12 -1.723 2.604 -0.048 91 H LEU 13 HN LEU 13 -2.079 -0.736 0.238 92 HA LEU 13 HA LEU 13 -3.711 -0.711 -2.094 93 1HB LEU 13 HB2 LEU 13 -2.224 -2.222 -2.832 94 2HB LEU 13 HB1 LEU 13 -1.338 -1.896 -1.351 95 HG LEU 13 HG LEU 13 -2.715 -3.792 -0.316 96 1HD1 LEU 13 HD11 LEU 13 -3.629 -3.871 -3.095 97 2HD1 LEU 13 HD12 LEU 13 -4.366 -4.535 -1.638 98 3HD1 LEU 13 HD13 LEU 13 -3.094 -5.431 -2.469 99 1HD2 LEU 13 HD21 LEU 13 -0.393 -3.867 -2.087 100 2HD2 LEU 13 HD22 LEU 13 -1.197 -5.426 -1.907 101 3HD2 LEU 13 HD23 LEU 13 -0.619 -4.563 -0.483 102 H GLY 14 HN GLY 14 -3.780 -2.349 1.020 103 1HA GLY 14 HA2 GLY 14 -6.130 -3.903 0.261 104 2HA GLY 14 HA1 GLY 14 -5.299 -3.950 1.816 105 H GLY 15 HN GLY 15 -5.260 -0.991 1.897 106 1HA GLY 15 HA2 GLY 15 -7.748 -0.638 3.268 107 2HA GLY 15 HA1 GLY 15 -6.478 0.561 3.064 108 H LEU 16 HN LEU 16 -6.325 0.560 0.246 109 HA LEU 16 HA LEU 16 -8.588 2.224 -0.361 110 1HB LEU 16 HB2 LEU 16 -6.178 2.575 -1.124 111 2HB LEU 16 HB1 LEU 16 -6.462 1.283 -2.275 112 HG LEU 16 HG LEU 16 -8.574 3.183 -2.538 113 1HD1 LEU 16 HD11 LEU 16 -6.057 4.574 -3.206 114 2HD1 LEU 16 HD12 LEU 16 -6.514 4.543 -1.503 115 3HD1 LEU 16 HD13 LEU 16 -7.616 5.224 -2.700 116 1HD2 LEU 16 HD21 LEU 16 -6.421 3.059 -4.551 117 2HD2 LEU 16 HD22 LEU 16 -8.166 2.884 -4.739 118 3HD2 LEU 16 HD23 LEU 16 -7.203 1.531 -4.147 119 H LEU 17 HN LEU 17 -7.724 -1.031 -0.710 120 HA LEU 17 HA LEU 17 -9.332 -1.669 -2.947 121 1HB LEU 17 HB2 LEU 17 -7.450 -3.042 -2.611 122 2HB LEU 17 HB1 LEU 17 -7.819 -3.268 -0.914 123 HG LEU 17 HG LEU 17 -9.887 -4.559 -1.707 124 1HD1 LEU 17 HD11 LEU 17 -8.599 -5.400 -4.146 125 2HD1 LEU 17 HD12 LEU 17 -8.995 -3.683 -4.199 126 3HD1 LEU 17 HD13 LEU 17 -10.259 -4.870 -3.876 127 1HD2 LEU 17 HD21 LEU 17 -7.478 -6.036 -2.571 128 2HD2 LEU 17 HD22 LEU 17 -8.731 -6.481 -1.412 129 3HD2 LEU 17 HD23 LEU 17 -7.453 -5.359 -0.943 130 H LYS 18 HN LYS 18 -9.813 -1.318 0.419 131 HA LYS 18 HA LYS 18 -11.923 -3.070 0.783 132 1HB LYS 18 HB2 LYS 18 -11.741 -2.408 2.900 133 2HB LYS 18 HB1 LYS 18 -10.479 -1.314 2.367 134 1HG LYS 18 HG2 LYS 18 -12.863 0.046 1.889 135 2HG LYS 18 HG1 LYS 18 -13.081 -0.738 3.447 136 1HD LYS 18 HD2 LYS 18 -11.939 0.966 4.322 137 2HD LYS 18 HD1 LYS 18 -10.505 0.284 3.548 138 1HE LYS 18 HE2 LYS 18 -10.384 2.295 2.547 139 2HE LYS 18 HE1 LYS 18 -11.611 1.618 1.473 140 1HZ LYS 18 HZ1 LYS 18 -11.840 3.710 3.453 141 2HZ LYS 18 HZ2 LYS 18 -13.097 2.579 3.498 142 3HZ LYS 18 HZ3 LYS 18 -12.769 3.423 2.069 143 H LYS 19 HN LYS 19 -11.990 0.406 -0.007 144 HA LYS 19 HA LYS 19 -14.857 0.211 -0.469 145 1HB LYS 19 HB2 LYS 19 -14.974 2.415 -0.044 146 2HB LYS 19 HB1 LYS 19 -13.379 2.179 0.650 147 1HG LYS 19 HG2 LYS 19 -14.001 3.172 -2.116 148 2HG LYS 19 HG1 LYS 19 -13.390 4.121 -0.763 149 1HD LYS 19 HD2 LYS 19 -11.930 1.774 -1.926 150 2HD LYS 19 HD1 LYS 19 -11.674 3.429 -2.469 151 1HE LYS 19 HE2 LYS 19 -11.555 3.192 0.406 152 2HE LYS 19 HE1 LYS 19 -10.401 2.121 -0.389 153 1HZ LYS 19 HZ1 LYS 19 -9.939 4.306 -1.760 154 2HZ LYS 19 HZ2 LYS 19 -9.176 4.026 -0.277 155 3HZ LYS 19 HZ3 LYS 19 -10.521 5.047 -0.356 156 H ILE 20 HN ILE 20 -12.025 -0.124 -2.204 157 HA ILE 20 HA ILE 20 -12.372 1.092 -4.607 158 HB ILE 20 HB ILE 20 -10.491 -0.464 -3.840 159 1HG1 ILE 20 HG12 ILE 20 -9.983 -1.096 -6.263 160 2HG1 ILE 20 HG11 ILE 20 -11.549 -0.397 -6.666 161 1HG2 ILE 20 HG21 ILE 20 -10.696 -2.689 -3.921 162 2HG2 ILE 20 HG22 ILE 20 -11.572 -2.651 -5.450 163 3HG2 ILE 20 HG23 ILE 20 -12.433 -2.389 -3.933 164 1HD1 ILE 20 HD11 ILE 20 -10.840 1.755 -5.851 165 2HD1 ILE 20 HD12 ILE 20 -9.675 1.150 -7.029 166 3HD1 ILE 20 HD13 ILE 20 -9.307 1.077 -5.305 Start of MODEL 14 1 1H ILE 1 HT1 ILE 1 18.120 -2.671 2.016 2 2H ILE 1 HT2 ILE 1 18.279 -2.661 3.725 3 3H ILE 1 HT3 ILE 1 18.332 -1.187 2.847 4 HA ILE 1 HA ILE 1 16.087 -2.861 3.587 5 HB ILE 1 HB ILE 1 16.291 0.119 3.168 6 1HG1 ILE 1 HG12 ILE 1 16.245 -0.651 5.938 7 2HG1 ILE 1 HG11 ILE 1 17.599 -1.442 5.136 8 1HG2 ILE 1 HG21 ILE 1 14.222 -1.735 4.142 9 2HG2 ILE 1 HG22 ILE 1 14.064 -0.162 3.361 10 3HG2 ILE 1 HG23 ILE 1 14.433 -0.259 5.083 11 1HD1 ILE 1 HD11 ILE 1 17.038 1.513 5.106 12 2HD1 ILE 1 HD12 ILE 1 18.418 0.703 4.363 13 3HD1 ILE 1 HD13 ILE 1 18.232 0.698 6.117 14 H ILE 2 HN ILE 2 14.119 -2.789 2.448 15 HA ILE 2 HA ILE 2 14.470 -2.458 -0.440 16 HB ILE 2 HB ILE 2 12.272 -3.683 -0.572 17 1HG1 ILE 2 HG12 ILE 2 12.791 -4.335 2.329 18 2HG1 ILE 2 HG11 ILE 2 11.655 -3.088 1.825 19 1HG2 ILE 2 HG21 ILE 2 14.801 -4.619 -0.399 20 2HG2 ILE 2 HG22 ILE 2 13.393 -5.628 -0.727 21 3HG2 ILE 2 HG23 ILE 2 14.031 -5.511 0.913 22 1HD1 ILE 2 HD11 ILE 2 10.199 -4.632 0.880 23 2HD1 ILE 2 HD12 ILE 2 10.751 -5.419 2.359 24 3HD1 ILE 2 HD13 ILE 2 11.432 -5.890 0.802 25 H GLY 3 HN GLY 3 14.149 -0.130 1.234 26 1HA GLY 3 HA2 GLY 3 12.988 1.850 1.245 27 2HA GLY 3 HA1 GLY 3 12.285 1.313 -0.272 28 HA PRO 4 HA PRO 4 9.438 0.222 3.587 29 1HB PRO 4 HB2 PRO 4 9.576 2.906 4.804 30 2HB PRO 4 HB1 PRO 4 9.590 1.320 5.580 31 1HG PRO 4 HG2 PRO 4 11.803 2.818 5.446 32 2HG PRO 4 HG1 PRO 4 11.869 1.052 5.294 33 1HD PRO 4 HD2 PRO 4 12.007 3.144 3.154 34 2HD PRO 4 HD1 PRO 4 12.944 1.644 3.326 35 H VAL 5 HN VAL 5 9.786 2.947 1.561 36 HA VAL 5 HA VAL 5 7.332 4.225 1.746 37 HB VAL 5 HB VAL 5 8.763 3.718 -0.859 38 1HG1 VAL 5 HG11 VAL 5 7.554 5.415 -1.736 39 2HG1 VAL 5 HG12 VAL 5 7.511 6.314 -0.220 40 3HG1 VAL 5 HG13 VAL 5 6.413 4.957 -0.471 41 1HG2 VAL 5 HG21 VAL 5 9.591 5.271 1.494 42 2HG2 VAL 5 HG22 VAL 5 9.674 6.139 -0.038 43 3HG2 VAL 5 HG23 VAL 5 10.552 4.623 0.164 44 H LEU 6 HN LEU 6 8.226 1.599 -0.487 45 HA LEU 6 HA LEU 6 5.779 1.184 -1.686 46 1HB LEU 6 HB2 LEU 6 8.150 -0.527 -1.139 47 2HB LEU 6 HB1 LEU 6 6.681 -1.323 -1.673 48 HG LEU 6 HG LEU 6 7.517 1.007 -3.284 49 1HD1 LEU 6 HD11 LEU 6 8.991 -1.548 -3.743 50 2HD1 LEU 6 HD12 LEU 6 9.622 -0.363 -2.599 51 3HD1 LEU 6 HD13 LEU 6 9.374 0.085 -4.287 52 1HD2 LEU 6 HD21 LEU 6 5.668 -0.943 -3.553 53 2HD2 LEU 6 HD22 LEU 6 7.004 -1.633 -4.476 54 3HD2 LEU 6 HD23 LEU 6 6.363 -0.046 -4.904 55 H GLY 7 HN GLY 7 6.817 0.352 1.514 56 1HA GLY 7 HA2 GLY 7 4.728 -1.563 2.003 57 2HA GLY 7 HA1 GLY 7 5.817 -0.871 3.200 58 H LEU 8 HN LEU 8 5.114 1.878 2.249 59 HA LEU 8 HA LEU 8 2.923 2.260 4.036 60 1HB LEU 8 HB2 LEU 8 4.000 4.358 2.175 61 2HB LEU 8 HB1 LEU 8 3.251 4.580 3.744 62 HG LEU 8 HG LEU 8 5.987 3.419 3.232 63 1HD1 LEU 8 HD11 LEU 8 6.198 5.709 2.915 64 2HD1 LEU 8 HD12 LEU 8 6.602 5.495 4.619 65 3HD1 LEU 8 HD13 LEU 8 5.006 6.090 4.158 66 1HD2 LEU 8 HD21 LEU 8 4.379 2.755 5.307 67 2HD2 LEU 8 HD22 LEU 8 5.193 4.178 5.956 68 3HD2 LEU 8 HD23 LEU 8 6.140 2.803 5.387 69 H VAL 9 HN VAL 9 3.411 2.660 0.546 70 HA VAL 9 HA VAL 9 0.736 3.417 -0.014 71 HB VAL 9 HB VAL 9 2.679 2.039 -1.878 72 1HG1 VAL 9 HG11 VAL 9 0.970 2.067 -3.305 73 2HG1 VAL 9 HG12 VAL 9 1.050 3.828 -3.274 74 3HG1 VAL 9 HG13 VAL 9 -0.035 2.975 -2.174 75 1HG2 VAL 9 HG21 VAL 9 2.523 4.804 -0.859 76 2HG2 VAL 9 HG22 VAL 9 2.771 4.631 -2.596 77 3HG2 VAL 9 HG23 VAL 9 3.906 3.893 -1.465 78 H GLY 10 HN GLY 10 2.414 0.353 0.273 79 1HA GLY 10 HA2 GLY 10 0.419 -1.329 -0.798 80 2HA GLY 10 HA1 GLY 10 1.653 -1.811 0.361 81 H SER 11 HN SER 11 0.782 0.272 2.271 82 HA SER 11 HA SER 11 -1.154 -1.302 3.666 83 1HB SER 11 HB2 SER 11 0.739 0.186 4.647 84 2HB SER 11 HB1 SER 11 -0.408 1.509 4.433 85 HG SER 11 HG SER 11 -0.775 -0.843 5.977 86 H ALA 12 HN ALA 12 -1.168 1.922 2.174 87 HA ALA 12 HA ALA 12 -3.953 2.333 2.619 88 1HB ALA 12 HB1 ALA 12 -3.400 4.437 2.161 89 2HB ALA 12 HB2 ALA 12 -3.004 3.983 0.503 90 3HB ALA 12 HB3 ALA 12 -1.769 3.902 1.759 91 H LEU 13 HN LEU 13 -2.109 0.648 0.396 92 HA LEU 13 HA LEU 13 -3.845 0.732 -1.861 93 1HB LEU 13 HB2 LEU 13 -1.414 -0.727 -1.044 94 2HB LEU 13 HB1 LEU 13 -2.421 -1.488 -2.264 95 HG LEU 13 HG LEU 13 -1.384 1.327 -2.531 96 1HD1 LEU 13 HD11 LEU 13 0.540 -0.103 -2.380 97 2HD1 LEU 13 HD12 LEU 13 0.303 0.357 -4.066 98 3HD1 LEU 13 HD13 LEU 13 -0.172 -1.250 -3.515 99 1HD2 LEU 13 HD21 LEU 13 -2.021 1.154 -4.800 100 2HD2 LEU 13 HD22 LEU 13 -3.389 0.550 -3.864 101 3HD2 LEU 13 HD23 LEU 13 -2.301 -0.582 -4.666 102 H GLY 14 HN GLY 14 -3.626 -1.189 1.029 103 1HA GLY 14 HA2 GLY 14 -5.433 -3.229 0.014 104 2HA GLY 14 HA1 GLY 14 -4.730 -3.160 1.627 105 H GLY 15 HN GLY 15 -5.517 -0.290 1.815 106 1HA GLY 15 HA2 GLY 15 -8.058 -0.721 3.045 107 2HA GLY 15 HA1 GLY 15 -7.193 0.805 2.925 108 H LEU 16 HN LEU 16 -6.939 0.873 0.095 109 HA LEU 16 HA LEU 16 -9.542 1.870 -0.582 110 1HB LEU 16 HB2 LEU 16 -6.845 1.860 -1.820 111 2HB LEU 16 HB1 LEU 16 -8.214 2.039 -2.900 112 HG LEU 16 HG LEU 16 -7.228 4.202 -2.222 113 1HD1 LEU 16 HD11 LEU 16 -9.229 5.226 -2.283 114 2HD1 LEU 16 HD12 LEU 16 -9.861 4.307 -0.918 115 3HD1 LEU 16 HD13 LEU 16 -9.837 3.589 -2.529 116 1HD2 LEU 16 HD21 LEU 16 -7.017 3.080 0.265 117 2HD2 LEU 16 HD22 LEU 16 -8.395 4.165 0.455 118 3HD2 LEU 16 HD23 LEU 16 -6.845 4.796 -0.101 119 H LEU 17 HN LEU 17 -7.837 -1.035 -0.907 120 HA LEU 17 HA LEU 17 -9.117 -2.067 -3.207 121 1HB LEU 17 HB2 LEU 17 -6.850 -2.712 -2.313 122 2HB LEU 17 HB1 LEU 17 -7.678 -3.581 -1.042 123 HG LEU 17 HG LEU 17 -6.887 -5.070 -2.814 124 1HD1 LEU 17 HD11 LEU 17 -9.771 -5.268 -3.275 125 2HD1 LEU 17 HD12 LEU 17 -9.294 -5.163 -1.580 126 3HD1 LEU 17 HD13 LEU 17 -8.638 -6.440 -2.602 127 1HD2 LEU 17 HD21 LEU 17 -6.919 -4.317 -4.903 128 2HD2 LEU 17 HD22 LEU 17 -8.109 -3.074 -4.522 129 3HD2 LEU 17 HD23 LEU 17 -8.638 -4.708 -4.919 130 H LYS 18 HN LYS 18 -9.817 -1.886 0.143 131 HA LYS 18 HA LYS 18 -11.446 -4.104 0.402 132 1HB LYS 18 HB2 LYS 18 -11.559 -3.461 2.531 133 2HB LYS 18 HB1 LYS 18 -10.525 -2.121 2.076 134 1HG LYS 18 HG2 LYS 18 -13.139 -1.308 1.482 135 2HG LYS 18 HG1 LYS 18 -13.219 -2.102 3.048 136 1HD LYS 18 HD2 LYS 18 -12.432 -0.239 3.967 137 2HD LYS 18 HD1 LYS 18 -10.919 -0.489 3.093 138 1HE LYS 18 HE2 LYS 18 -11.390 1.499 2.156 139 2HE LYS 18 HE1 LYS 18 -12.487 0.560 1.142 140 1HZ LYS 18 HZ1 LYS 18 -14.280 1.429 2.145 141 2HZ LYS 18 HZ2 LYS 18 -13.229 2.668 2.612 142 3HZ LYS 18 HZ3 LYS 18 -13.583 1.411 3.687 143 H LYS 19 HN LYS 19 -12.344 -0.740 -0.353 144 HA LYS 19 HA LYS 19 -15.061 -1.623 -0.913 145 1HB LYS 19 HB2 LYS 19 -15.733 0.496 -0.534 146 2HB LYS 19 HB1 LYS 19 -14.188 0.608 0.291 147 1HG LYS 19 HG2 LYS 19 -14.819 1.520 -2.498 148 2HG LYS 19 HG1 LYS 19 -14.491 2.534 -1.097 149 1HD LYS 19 HD2 LYS 19 -12.497 0.551 -2.117 150 2HD LYS 19 HD1 LYS 19 -12.600 2.172 -2.787 151 1HE LYS 19 HE2 LYS 19 -11.487 1.218 -0.260 152 2HE LYS 19 HE1 LYS 19 -11.104 2.654 -1.202 153 1HZ LYS 19 HZ1 LYS 19 -12.952 3.805 -0.250 154 2HZ LYS 19 HZ2 LYS 19 -12.041 3.146 1.014 155 3HZ LYS 19 HZ3 LYS 19 -13.490 2.414 0.548 156 H ILE 20 HN ILE 20 -12.190 -1.222 -2.570 157 HA ILE 20 HA ILE 20 -12.789 -0.089 -4.974 158 HB ILE 20 HB ILE 20 -10.596 -1.193 -4.103 159 1HG1 ILE 20 HG12 ILE 20 -10.667 -1.674 -6.985 160 2HG1 ILE 20 HG11 ILE 20 -11.425 -0.149 -6.535 161 1HG2 ILE 20 HG21 ILE 20 -11.374 -3.400 -5.968 162 2HG2 ILE 20 HG22 ILE 20 -11.776 -3.500 -4.254 163 3HG2 ILE 20 HG23 ILE 20 -10.095 -3.354 -4.758 164 1HD1 ILE 20 HD11 ILE 20 -8.744 -0.855 -5.439 165 2HD1 ILE 20 HD12 ILE 20 -9.466 0.731 -5.713 166 3HD1 ILE 20 HD13 ILE 20 -8.897 -0.228 -7.080 Start of MODEL 15 1 1H ILE 1 HT1 ILE 1 16.955 2.368 -3.189 2 2H ILE 1 HT2 ILE 1 15.337 2.827 -3.534 3 3H ILE 1 HT3 ILE 1 15.866 1.227 -3.861 4 HA ILE 1 HA ILE 1 16.125 0.762 -1.595 5 HB ILE 1 HB ILE 1 15.431 2.442 0.110 6 1HG1 ILE 1 HG12 ILE 1 15.593 4.355 -2.231 7 2HG1 ILE 1 HG11 ILE 1 14.126 3.911 -1.364 8 1HG2 ILE 1 HG21 ILE 1 17.565 3.124 0.376 9 2HG2 ILE 1 HG22 ILE 1 17.681 3.759 -1.265 10 3HG2 ILE 1 HG23 ILE 1 17.856 2.029 -0.974 11 1HD1 ILE 1 HD11 ILE 1 14.667 5.174 0.467 12 2HD1 ILE 1 HD12 ILE 1 15.367 6.139 -0.833 13 3HD1 ILE 1 HD13 ILE 1 16.399 5.097 0.146 14 H ILE 2 HN ILE 2 14.455 -0.316 -0.700 15 HA ILE 2 HA ILE 2 11.723 0.621 -1.167 16 HB ILE 2 HB ILE 2 12.546 -2.209 -1.817 17 1HG1 ILE 2 HG12 ILE 2 11.784 -1.258 -4.194 18 2HG1 ILE 2 HG11 ILE 2 12.388 0.244 -3.501 19 1HG2 ILE 2 HG21 ILE 2 10.177 -1.785 -3.049 20 2HG2 ILE 2 HG22 ILE 2 9.992 -0.768 -1.620 21 3HG2 ILE 2 HG23 ILE 2 10.347 -2.486 -1.440 22 1HD1 ILE 2 HD11 ILE 2 14.541 -0.440 -3.561 23 2HD1 ILE 2 HD12 ILE 2 13.919 -1.434 -4.878 24 3HD1 ILE 2 HD13 ILE 2 14.131 -2.130 -3.271 25 H GLY 3 HN GLY 3 12.857 0.837 1.236 26 1HA GLY 3 HA2 GLY 3 12.392 -1.547 2.821 27 2HA GLY 3 HA1 GLY 3 12.958 0.006 3.413 28 HA PRO 4 HA PRO 4 9.003 0.764 5.186 29 1HB PRO 4 HB2 PRO 4 9.222 3.573 4.292 30 2HB PRO 4 HB1 PRO 4 9.058 2.924 5.927 31 1HG PRO 4 HG2 PRO 4 11.378 3.936 5.068 32 2HG PRO 4 HG1 PRO 4 11.327 2.523 6.139 33 1HD PRO 4 HD2 PRO 4 11.802 2.648 3.186 34 2HD PRO 4 HD1 PRO 4 12.586 1.631 4.413 35 H VAL 5 HN VAL 5 9.641 1.474 1.905 36 HA VAL 5 HA VAL 5 7.185 2.468 1.025 37 HB VAL 5 HB VAL 5 8.992 0.605 -0.517 38 1HG1 VAL 5 HG11 VAL 5 6.743 2.414 -1.235 39 2HG1 VAL 5 HG12 VAL 5 7.167 0.827 -1.877 40 3HG1 VAL 5 HG13 VAL 5 8.082 2.251 -2.371 41 1HG2 VAL 5 HG21 VAL 5 9.915 2.839 -1.394 42 2HG2 VAL 5 HG22 VAL 5 10.444 2.286 0.195 43 3HG2 VAL 5 HG23 VAL 5 9.210 3.539 0.063 44 H LEU 6 HN LEU 6 8.333 -0.912 0.997 45 HA LEU 6 HA LEU 6 5.953 -2.056 0.115 46 1HB LEU 6 HB2 LEU 6 8.268 -3.094 1.712 47 2HB LEU 6 HB1 LEU 6 6.869 -4.110 1.422 48 HG LEU 6 HG LEU 6 8.494 -2.835 -0.777 49 1HD1 LEU 6 HD11 LEU 6 9.876 -4.613 -0.855 50 2HD1 LEU 6 HD12 LEU 6 8.632 -5.742 -0.321 51 3HD1 LEU 6 HD13 LEU 6 9.472 -4.734 0.857 52 1HD2 LEU 6 HD21 LEU 6 6.384 -4.990 -0.782 53 2HD2 LEU 6 HD22 LEU 6 7.341 -4.501 -2.180 54 3HD2 LEU 6 HD23 LEU 6 6.225 -3.358 -1.433 55 H GLY 7 HN GLY 7 6.922 -0.910 3.246 56 1HA GLY 7 HA2 GLY 7 4.798 -2.246 4.668 57 2HA GLY 7 HA1 GLY 7 5.914 -1.055 5.323 58 H LEU 8 HN LEU 8 5.465 1.015 3.467 59 HA LEU 8 HA LEU 8 3.060 2.053 4.574 60 1HB LEU 8 HB2 LEU 8 3.598 4.126 3.436 61 2HB LEU 8 HB1 LEU 8 4.986 3.499 4.305 62 HG LEU 8 HG LEU 8 5.454 2.425 1.919 63 1HD1 LEU 8 HD11 LEU 8 4.260 5.090 1.215 64 2HD1 LEU 8 HD12 LEU 8 3.385 3.571 1.026 65 3HD1 LEU 8 HD13 LEU 8 4.873 3.849 0.123 66 1HD2 LEU 8 HD21 LEU 8 6.171 5.187 2.877 67 2HD2 LEU 8 HD22 LEU 8 6.954 4.386 1.515 68 3HD2 LEU 8 HD23 LEU 8 7.075 3.695 3.133 69 H VAL 9 HN VAL 9 4.105 1.119 1.331 70 HA VAL 9 HA VAL 9 1.795 1.903 -0.045 71 HB VAL 9 HB VAL 9 3.561 -0.470 -0.677 72 1HG1 VAL 9 HG11 VAL 9 2.081 -0.834 -2.306 73 2HG1 VAL 9 HG12 VAL 9 2.628 0.677 -3.031 74 3HG1 VAL 9 HG13 VAL 9 1.226 0.669 -1.959 75 1HG2 VAL 9 HG21 VAL 9 4.532 1.970 -0.413 76 2HG2 VAL 9 HG22 VAL 9 3.844 2.168 -2.024 77 3HG2 VAL 9 HG23 VAL 9 5.049 0.915 -1.728 78 H GLY 10 HN GLY 10 2.544 -0.981 1.822 79 1HA GLY 10 HA2 GLY 10 0.343 -2.561 1.058 80 2HA GLY 10 HA1 GLY 10 1.219 -2.697 2.579 81 H SER 11 HN SER 11 0.641 0.163 3.178 82 HA SER 11 HA SER 11 -1.805 -0.268 4.592 83 1HB SER 11 HB2 SER 11 0.352 1.678 4.615 84 2HB SER 11 HB1 SER 11 -1.222 2.466 4.731 85 HG SER 11 HG SER 11 0.081 0.832 6.533 86 H ALA 12 HN ALA 12 -0.794 1.857 1.932 87 HA ALA 12 HA ALA 12 -3.412 2.890 1.491 88 1HB ALA 12 HB1 ALA 12 -1.752 4.345 0.773 89 2HB ALA 12 HB2 ALA 12 -2.318 3.627 -0.736 90 3HB ALA 12 HB3 ALA 12 -0.824 3.056 0.007 91 H LEU 13 HN LEU 13 -1.824 0.053 0.731 92 HA LEU 13 HA LEU 13 -3.147 -0.631 -1.696 93 1HB LEU 13 HB2 LEU 13 -1.328 -1.915 0.229 94 2HB LEU 13 HB1 LEU 13 -2.351 -2.993 -0.705 95 HG LEU 13 HG LEU 13 -0.395 -0.988 -1.821 96 1HD1 LEU 13 HD11 LEU 13 0.839 -2.806 -0.996 97 2HD1 LEU 13 HD12 LEU 13 0.643 -3.128 -2.719 98 3HD1 LEU 13 HD13 LEU 13 -0.361 -3.977 -1.544 99 1HD2 LEU 13 HD21 LEU 13 -0.964 -2.225 -3.981 100 2HD2 LEU 13 HD22 LEU 13 -2.144 -1.063 -3.377 101 3HD2 LEU 13 HD23 LEU 13 -2.404 -2.790 -3.135 102 H GLY 14 HN GLY 14 -3.866 -0.955 1.692 103 1HA GLY 14 HA2 GLY 14 -6.039 -2.832 1.206 104 2HA GLY 14 HA1 GLY 14 -5.553 -2.174 2.766 105 H GLY 15 HN GLY 15 -5.489 0.545 1.452 106 1HA GLY 15 HA2 GLY 15 -8.161 1.285 2.153 107 2HA GLY 15 HA1 GLY 15 -6.889 2.353 1.579 108 H LEU 16 HN LEU 16 -6.345 0.986 -0.872 109 HA LEU 16 HA LEU 16 -8.469 2.071 -2.469 110 1HB LEU 16 HB2 LEU 16 -6.028 0.494 -3.289 111 2HB LEU 16 HB1 LEU 16 -7.092 1.366 -4.375 112 HG LEU 16 HG LEU 16 -5.820 2.925 -2.189 113 1HD1 LEU 16 HD11 LEU 16 -3.792 3.238 -3.586 114 2HD1 LEU 16 HD12 LEU 16 -4.332 1.900 -4.600 115 3HD1 LEU 16 HD13 LEU 16 -3.940 1.618 -2.904 116 1HD2 LEU 16 HD21 LEU 16 -7.413 3.582 -4.249 117 2HD2 LEU 16 HD22 LEU 16 -5.836 3.791 -5.010 118 3HD2 LEU 16 HD23 LEU 16 -6.233 4.686 -3.543 119 H LEU 17 HN LEU 17 -7.581 -0.969 -1.189 120 HA LEU 17 HA LEU 17 -9.002 -2.584 -3.026 121 1HB LEU 17 HB2 LEU 17 -7.701 -3.094 -0.385 122 2HB LEU 17 HB1 LEU 17 -8.679 -4.321 -1.166 123 HG LEU 17 HG LEU 17 -6.320 -3.037 -2.524 124 1HD1 LEU 17 HD11 LEU 17 -4.924 -4.784 -1.797 125 2HD1 LEU 17 HD12 LEU 17 -6.278 -5.697 -1.130 126 3HD1 LEU 17 HD13 LEU 17 -5.747 -4.209 -0.346 127 1HD2 LEU 17 HD21 LEU 17 -8.156 -4.268 -3.808 128 2HD2 LEU 17 HD22 LEU 17 -7.537 -5.730 -3.040 129 3HD2 LEU 17 HD23 LEU 17 -6.488 -4.771 -4.084 130 H LYS 18 HN LYS 18 -9.769 -0.786 -0.226 131 HA LYS 18 HA LYS 18 -11.902 -2.238 0.747 132 1HB LYS 18 HB2 LYS 18 -11.912 -0.624 2.284 133 2HB LYS 18 HB1 LYS 18 -10.630 0.153 1.374 134 1HG LYS 18 HG2 LYS 18 -13.007 0.940 0.137 135 2HG LYS 18 HG1 LYS 18 -13.317 1.027 1.865 136 1HD LYS 18 HD2 LYS 18 -12.290 3.005 1.826 137 2HD LYS 18 HD1 LYS 18 -10.785 2.122 1.558 138 1HE LYS 18 HE2 LYS 18 -11.432 2.173 -0.923 139 2HE LYS 18 HE1 LYS 18 -12.588 3.421 -0.459 140 1HZ LYS 18 HZ1 LYS 18 -9.756 3.663 0.321 141 2HZ LYS 18 HZ2 LYS 18 -10.913 4.880 0.117 142 3HZ LYS 18 HZ3 LYS 18 -10.249 4.111 -1.235 143 H LYS 19 HN LYS 19 -11.886 0.409 -1.634 144 HA LYS 19 HA LYS 19 -14.696 -0.093 -2.193 145 1HB LYS 19 HB2 LYS 19 -14.824 2.034 -2.913 146 2HB LYS 19 HB1 LYS 19 -13.311 2.222 -2.042 147 1HG LYS 19 HG2 LYS 19 -13.649 1.748 -4.990 148 2HG LYS 19 HG1 LYS 19 -13.129 3.236 -4.203 149 1HD LYS 19 HD2 LYS 19 -11.636 0.649 -3.952 150 2HD LYS 19 HD1 LYS 19 -11.303 1.818 -5.224 151 1HE LYS 19 HE2 LYS 19 -11.397 3.124 -2.681 152 2HE LYS 19 HE1 LYS 19 -10.304 1.744 -2.606 153 1HZ LYS 19 HZ1 LYS 19 -9.131 2.607 -4.530 154 2HZ LYS 19 HZ2 LYS 19 -9.158 3.764 -3.296 155 3HZ LYS 19 HZ3 LYS 19 -10.191 3.922 -4.625 156 H ILE 20 HN ILE 20 -11.729 -1.163 -3.273 157 HA ILE 20 HA ILE 20 -11.891 -1.263 -6.002 158 HB ILE 20 HB ILE 20 -10.022 -2.102 -4.455 159 1HG1 ILE 20 HG12 ILE 20 -10.427 -4.011 -6.715 160 2HG1 ILE 20 HG11 ILE 20 -10.362 -2.289 -7.081 161 1HG2 ILE 20 HG21 ILE 20 -10.112 -4.129 -3.492 162 2HG2 ILE 20 HG22 ILE 20 -10.905 -4.866 -4.883 163 3HG2 ILE 20 HG23 ILE 20 -11.856 -3.968 -3.699 164 1HD1 ILE 20 HD11 ILE 20 -8.209 -2.911 -5.341 165 2HD1 ILE 20 HD12 ILE 20 -8.158 -2.356 -7.015 166 3HD1 ILE 20 HD13 ILE 20 -8.225 -4.082 -6.659 Start of MODEL 16 1 1H ILE 1 HT1 ILE 1 18.166 -0.938 0.460 2 2H ILE 1 HT2 ILE 1 18.633 0.562 -0.231 3 3H ILE 1 HT3 ILE 1 18.876 -0.898 -1.099 4 HA ILE 1 HA ILE 1 16.974 0.515 -1.787 5 HB ILE 1 HB ILE 1 15.425 -1.451 -1.975 6 1HG1 ILE 1 HG12 ILE 1 16.198 -2.460 0.228 7 2HG1 ILE 1 HG11 ILE 1 16.023 -3.580 -1.116 8 1HG2 ILE 1 HG21 ILE 1 17.455 -2.871 -3.078 9 2HG2 ILE 1 HG22 ILE 1 18.187 -1.273 -2.938 10 3HG2 ILE 1 HG23 ILE 1 16.680 -1.477 -3.830 11 1HD1 ILE 1 HD11 ILE 1 18.659 -2.816 -1.286 12 2HD1 ILE 1 HD12 ILE 1 18.048 -4.302 -0.563 13 3HD1 ILE 1 HD13 ILE 1 18.366 -2.895 0.451 14 H ILE 2 HN ILE 2 15.229 1.620 -1.176 15 HA ILE 2 HA ILE 2 14.521 1.768 1.583 16 HB ILE 2 HB ILE 2 12.878 2.905 -0.669 17 1HG1 ILE 2 HG12 ILE 2 15.152 3.570 -1.148 18 2HG1 ILE 2 HG11 ILE 2 14.301 4.950 -0.463 19 1HG2 ILE 2 HG21 ILE 2 12.102 2.940 1.747 20 2HG2 ILE 2 HG22 ILE 2 12.149 4.491 0.910 21 3HG2 ILE 2 HG23 ILE 2 13.427 4.065 2.048 22 1HD1 ILE 2 HD11 ILE 2 16.660 4.533 0.346 23 2HD1 ILE 2 HD12 ILE 2 16.008 3.137 1.206 24 3HD1 ILE 2 HD13 ILE 2 15.425 4.758 1.585 25 H GLY 3 HN GLY 3 13.790 -0.261 2.212 26 1HA GLY 3 HA2 GLY 3 11.677 -1.612 0.822 27 2HA GLY 3 HA1 GLY 3 12.357 -2.061 2.376 28 HA PRO 4 HA PRO 4 9.323 -0.036 4.949 29 1HB PRO 4 HB2 PRO 4 10.355 2.732 4.517 30 2HB PRO 4 HB1 PRO 4 9.851 1.947 6.019 31 1HG PRO 4 HG2 PRO 4 12.432 2.215 5.441 32 2HG PRO 4 HG1 PRO 4 11.822 0.735 6.203 33 1HD PRO 4 HD2 PRO 4 12.702 1.199 3.402 34 2HD PRO 4 HD1 PRO 4 12.784 -0.277 4.383 35 H VAL 5 HN VAL 5 9.980 1.564 1.942 36 HA VAL 5 HA VAL 5 7.629 3.047 1.630 37 HB VAL 5 HB VAL 5 9.143 1.664 -0.583 38 1HG1 VAL 5 HG11 VAL 5 8.349 4.013 -1.614 39 2HG1 VAL 5 HG12 VAL 5 7.035 3.728 -0.472 40 3HG1 VAL 5 HG13 VAL 5 7.393 2.534 -1.721 41 1HG2 VAL 5 HG21 VAL 5 10.844 3.103 -0.384 42 2HG2 VAL 5 HG22 VAL 5 10.229 3.412 1.239 43 3HG2 VAL 5 HG23 VAL 5 9.768 4.470 -0.094 44 H LEU 6 HN LEU 6 8.391 -0.195 0.362 45 HA LEU 6 HA LEU 6 5.979 -0.819 -0.792 46 1HB LEU 6 HB2 LEU 6 6.620 -3.081 -0.715 47 2HB LEU 6 HB1 LEU 6 8.113 -2.169 -0.819 48 HG LEU 6 HG LEU 6 7.893 -2.434 1.871 49 1HD1 LEU 6 HD11 LEU 6 7.406 -5.062 1.898 50 2HD1 LEU 6 HD12 LEU 6 6.287 -4.577 0.624 51 3HD1 LEU 6 HD13 LEU 6 6.167 -3.851 2.227 52 1HD2 LEU 6 HD21 LEU 6 9.306 -4.642 1.319 53 2HD2 LEU 6 HD22 LEU 6 9.944 -3.012 1.110 54 3HD2 LEU 6 HD23 LEU 6 9.302 -3.892 -0.277 55 H GLY 7 HN GLY 7 6.769 -0.632 2.578 56 1HA GLY 7 HA2 GLY 7 4.492 -2.133 3.487 57 2HA GLY 7 HA1 GLY 7 5.573 -1.164 4.481 58 H LEU 8 HN LEU 8 5.193 1.184 2.704 59 HA LEU 8 HA LEU 8 2.901 2.227 4.058 60 1HB LEU 8 HB2 LEU 8 4.412 3.598 1.849 61 2HB LEU 8 HB1 LEU 8 3.475 4.338 3.133 62 HG LEU 8 HG LEU 8 6.134 2.947 3.416 63 1HD1 LEU 8 HD11 LEU 8 5.246 5.761 3.242 64 2HD1 LEU 8 HD12 LEU 8 6.754 5.010 2.720 65 3HD1 LEU 8 HD13 LEU 8 6.501 5.389 4.424 66 1HD2 LEU 8 HD21 LEU 8 5.191 2.404 5.428 67 2HD2 LEU 8 HD22 LEU 8 4.110 3.798 5.423 68 3HD2 LEU 8 HD23 LEU 8 5.819 4.009 5.804 69 H VAL 9 HN VAL 9 3.754 1.589 0.673 70 HA VAL 9 HA VAL 9 1.282 2.385 -0.425 71 HB VAL 9 HB VAL 9 3.140 0.268 -1.523 72 1HG1 VAL 9 HG11 VAL 9 1.790 0.177 -3.290 73 2HG1 VAL 9 HG12 VAL 9 1.816 1.931 -3.462 74 3HG1 VAL 9 HG13 VAL 9 0.634 1.167 -2.398 75 1HG2 VAL 9 HG21 VAL 9 3.297 3.242 -1.499 76 2HG2 VAL 9 HG22 VAL 9 3.848 2.375 -2.933 77 3HG2 VAL 9 HG23 VAL 9 4.583 2.043 -1.364 78 H GLY 10 HN GLY 10 2.437 -0.617 0.977 79 1HA GLY 10 HA2 GLY 10 0.303 -2.282 0.175 80 2HA GLY 10 HA1 GLY 10 1.351 -2.555 1.563 81 H SER 11 HN SER 11 0.632 0.110 2.666 82 HA SER 11 HA SER 11 -1.627 -0.744 4.206 83 1HB SER 11 HB2 SER 11 -0.015 1.813 4.154 84 2HB SER 11 HB1 SER 11 -1.403 1.589 5.218 85 HG SER 11 HG SER 11 0.798 -0.193 5.149 86 H ALA 12 HN ALA 12 -1.003 1.795 1.819 87 HA ALA 12 HA ALA 12 -3.700 2.702 1.756 88 1HB ALA 12 HB1 ALA 12 -1.248 3.245 0.161 89 2HB ALA 12 HB2 ALA 12 -2.284 4.364 1.047 90 3HB ALA 12 HB3 ALA 12 -2.815 3.711 -0.502 91 H LEU 13 HN LEU 13 -2.195 -0.030 0.651 92 HA LEU 13 HA LEU 13 -3.597 -0.442 -1.794 93 1HB LEU 13 HB2 LEU 13 -2.170 -2.160 -2.015 94 2HB LEU 13 HB1 LEU 13 -1.403 -1.557 -0.554 95 HG LEU 13 HG LEU 13 -3.002 -3.091 0.723 96 1HD1 LEU 13 HD11 LEU 13 -4.350 -4.528 -0.343 97 2HD1 LEU 13 HD12 LEU 13 -3.138 -4.903 -1.568 98 3HD1 LEU 13 HD13 LEU 13 -4.145 -3.465 -1.735 99 1HD2 LEU 13 HD21 LEU 13 -0.923 -3.937 0.901 100 2HD2 LEU 13 HD22 LEU 13 -0.591 -3.762 -0.821 101 3HD2 LEU 13 HD23 LEU 13 -1.522 -5.142 -0.238 102 H GLY 14 HN GLY 14 -4.153 -1.173 1.583 103 1HA GLY 14 HA2 GLY 14 -6.431 -2.882 1.005 104 2HA GLY 14 HA1 GLY 14 -5.874 -2.377 2.601 105 H GLY 15 HN GLY 15 -5.721 0.435 1.625 106 1HA GLY 15 HA2 GLY 15 -8.267 1.291 2.493 107 2HA GLY 15 HA1 GLY 15 -7.021 2.301 1.769 108 H LEU 16 HN LEU 16 -6.736 1.205 -0.715 109 HA LEU 16 HA LEU 16 -9.102 2.151 -2.049 110 1HB LEU 16 HB2 LEU 16 -6.432 1.107 -2.918 111 2HB LEU 16 HB1 LEU 16 -7.728 1.269 -4.087 112 HG LEU 16 HG LEU 16 -7.854 3.657 -3.692 113 1HD1 LEU 16 HD11 LEU 16 -5.774 4.491 -2.232 114 2HD1 LEU 16 HD12 LEU 16 -6.122 2.976 -1.398 115 3HD1 LEU 16 HD13 LEU 16 -7.376 4.206 -1.551 116 1HD2 LEU 16 HD21 LEU 16 -5.818 4.307 -4.704 117 2HD2 LEU 16 HD22 LEU 16 -6.148 2.670 -5.271 118 3HD2 LEU 16 HD23 LEU 16 -4.949 2.940 -4.006 119 H LEU 17 HN LEU 17 -7.945 -0.761 -0.847 120 HA LEU 17 HA LEU 17 -9.185 -2.571 -2.631 121 1HB LEU 17 HB2 LEU 17 -7.243 -3.278 -1.420 122 2HB LEU 17 HB1 LEU 17 -7.991 -2.865 0.109 123 HG LEU 17 HG LEU 17 -9.313 -4.933 -1.556 124 1HD1 LEU 17 HD11 LEU 17 -7.179 -5.822 -1.767 125 2HD1 LEU 17 HD12 LEU 17 -7.808 -6.612 -0.321 126 3HD1 LEU 17 HD13 LEU 17 -6.684 -5.261 -0.171 127 1HD2 LEU 17 HD21 LEU 17 -10.326 -5.493 0.370 128 2HD2 LEU 17 HD22 LEU 17 -9.817 -3.886 0.888 129 3HD2 LEU 17 HD23 LEU 17 -8.852 -5.298 1.319 130 H LYS 18 HN LYS 18 -10.151 -0.749 0.100 131 HA LYS 18 HA LYS 18 -12.176 -2.371 1.067 132 1HB LYS 18 HB2 LYS 18 -12.390 -0.758 2.594 133 2HB LYS 18 HB1 LYS 18 -11.082 0.061 1.763 134 1HG LYS 18 HG2 LYS 18 -13.413 0.784 0.394 135 2HG LYS 18 HG1 LYS 18 -13.816 0.855 2.104 136 1HD LYS 18 HD2 LYS 18 -12.868 2.876 2.086 137 2HD LYS 18 HD1 LYS 18 -11.323 2.027 1.981 138 1HE LYS 18 HE2 LYS 18 -11.772 2.008 -0.560 139 2HE LYS 18 HE1 LYS 18 -12.944 3.278 -0.206 140 1HZ LYS 18 HZ1 LYS 18 -10.284 3.608 0.933 141 2HZ LYS 18 HZ2 LYS 18 -11.330 4.762 0.273 142 3HZ LYS 18 HZ3 LYS 18 -10.407 3.778 -0.747 143 H LYS 19 HN LYS 19 -12.328 0.265 -1.327 144 HA LYS 19 HA LYS 19 -15.086 -0.448 -1.909 145 1HB LYS 19 HB2 LYS 19 -15.364 1.661 -2.635 146 2HB LYS 19 HB1 LYS 19 -13.867 1.964 -1.769 147 1HG LYS 19 HG2 LYS 19 -14.167 1.436 -4.711 148 2HG LYS 19 HG1 LYS 19 -13.771 2.971 -3.942 149 1HD LYS 19 HD2 LYS 19 -12.079 0.508 -3.685 150 2HD LYS 19 HD1 LYS 19 -11.828 1.719 -4.937 151 1HE LYS 19 HE2 LYS 19 -12.048 2.993 -2.393 152 2HE LYS 19 HE1 LYS 19 -10.868 1.687 -2.297 153 1HZ LYS 19 HZ1 LYS 19 -9.872 3.811 -2.961 154 2HZ LYS 19 HZ2 LYS 19 -10.850 3.843 -4.340 155 3HZ LYS 19 HZ3 LYS 19 -9.687 2.629 -4.157 156 H ILE 20 HN ILE 20 -12.036 -1.303 -2.953 157 HA ILE 20 HA ILE 20 -12.158 -1.444 -5.681 158 HB ILE 20 HB ILE 20 -10.258 -2.139 -4.098 159 1HG1 ILE 20 HG12 ILE 20 -10.159 -2.185 -6.577 160 2HG1 ILE 20 HG11 ILE 20 -9.202 -3.463 -5.836 161 1HG2 ILE 20 HG21 ILE 20 -11.059 -4.954 -4.521 162 2HG2 ILE 20 HG22 ILE 20 -11.909 -4.067 -3.257 163 3HG2 ILE 20 HG23 ILE 20 -10.153 -4.214 -3.202 164 1HD1 ILE 20 HD11 ILE 20 -11.574 -3.629 -7.557 165 2HD1 ILE 20 HD12 ILE 20 -11.527 -4.764 -6.208 166 3HD1 ILE 20 HD13 ILE 20 -10.211 -4.734 -7.382 Start of MODEL 17 1 1H ILE 1 HT1 ILE 1 11.438 -2.620 5.563 2 2H ILE 1 HT2 ILE 1 12.442 -1.228 5.544 3 3H ILE 1 HT3 ILE 1 13.050 -2.719 6.136 4 HA ILE 1 HA ILE 1 13.559 -3.453 4.170 5 HB ILE 1 HB ILE 1 11.145 -3.820 3.701 6 1HG1 ILE 1 HG12 ILE 1 11.370 -3.775 1.196 7 2HG1 ILE 1 HG11 ILE 1 12.879 -2.895 1.404 8 1HG2 ILE 1 HG21 ILE 1 11.315 -1.014 2.637 9 2HG2 ILE 1 HG22 ILE 1 10.213 -1.657 3.854 10 3HG2 ILE 1 HG23 ILE 1 10.045 -2.143 2.168 11 1HD1 ILE 1 HD11 ILE 1 13.761 -4.955 1.284 12 2HD1 ILE 1 HD12 ILE 1 12.272 -5.741 1.811 13 3HD1 ILE 1 HD13 ILE 1 13.349 -5.005 2.998 14 H ILE 2 HN ILE 2 14.691 -2.711 2.318 15 HA ILE 2 HA ILE 2 16.005 -0.320 2.536 16 HB ILE 2 HB ILE 2 16.701 -2.174 1.058 17 1HG1 ILE 2 HG12 ILE 2 16.957 -0.324 -1.013 18 2HG1 ILE 2 HG11 ILE 2 16.788 0.665 0.434 19 1HG2 ILE 2 HG21 ILE 2 14.158 -1.858 -0.049 20 2HG2 ILE 2 HG22 ILE 2 15.431 -2.953 -0.587 21 3HG2 ILE 2 HG23 ILE 2 15.283 -1.350 -1.309 22 1HD1 ILE 2 HD11 ILE 2 18.643 -0.559 1.467 23 2HD1 ILE 2 HD12 ILE 2 19.115 0.236 -0.036 24 3HD1 ILE 2 HD13 ILE 2 18.824 -1.504 -0.012 25 H GLY 3 HN GLY 3 12.868 -0.894 1.144 26 1HA GLY 3 HA2 GLY 3 12.665 1.996 0.566 27 2HA GLY 3 HA1 GLY 3 12.023 0.797 -0.548 28 HA PRO 4 HA PRO 4 9.368 0.755 3.594 29 1HB PRO 4 HB2 PRO 4 9.677 3.622 4.259 30 2HB PRO 4 HB1 PRO 4 9.609 2.222 5.333 31 1HG PRO 4 HG2 PRO 4 11.913 3.487 4.877 32 2HG PRO 4 HG1 PRO 4 11.853 1.722 5.043 33 1HD PRO 4 HD2 PRO 4 12.084 3.389 2.568 34 2HD PRO 4 HD1 PRO 4 12.884 1.856 2.974 35 H VAL 5 HN VAL 5 9.688 3.307 1.287 36 HA VAL 5 HA VAL 5 7.106 4.392 1.355 37 HB VAL 5 HB VAL 5 8.843 4.075 -1.096 38 1HG1 VAL 5 HG11 VAL 5 6.325 4.860 -1.150 39 2HG1 VAL 5 HG12 VAL 5 7.551 5.648 -2.144 40 3HG1 VAL 5 HG13 VAL 5 7.031 6.389 -0.630 41 1HG2 VAL 5 HG21 VAL 5 10.101 5.877 -0.486 42 2HG2 VAL 5 HG22 VAL 5 9.748 5.229 1.115 43 3HG2 VAL 5 HG23 VAL 5 8.814 6.586 0.488 44 H LEU 6 HN LEU 6 8.425 1.901 -0.821 45 HA LEU 6 HA LEU 6 6.115 1.251 -2.183 46 1HB LEU 6 HB2 LEU 6 8.286 -0.672 -1.348 47 2HB LEU 6 HB1 LEU 6 7.161 -0.888 -2.676 48 HG LEU 6 HG LEU 6 8.968 1.492 -2.680 49 1HD1 LEU 6 HD11 LEU 6 10.565 0.028 -4.024 50 2HD1 LEU 6 HD12 LEU 6 9.752 -1.344 -3.271 51 3HD1 LEU 6 HD13 LEU 6 10.584 -0.153 -2.270 52 1HD2 LEU 6 HD21 LEU 6 7.389 -0.100 -4.628 53 2HD2 LEU 6 HD22 LEU 6 8.866 0.680 -5.194 54 3HD2 LEU 6 HD23 LEU 6 7.576 1.647 -4.480 55 H GLY 7 HN GLY 7 7.046 0.484 1.063 56 1HA GLY 7 HA2 GLY 7 5.178 -1.668 1.414 57 2HA GLY 7 HA1 GLY 7 6.094 -0.859 2.679 58 H LEU 8 HN LEU 8 5.119 1.793 1.713 59 HA LEU 8 HA LEU 8 2.785 1.867 3.349 60 1HB LEU 8 HB2 LEU 8 3.755 4.099 1.582 61 2HB LEU 8 HB1 LEU 8 2.799 4.224 3.045 62 HG LEU 8 HG LEU 8 5.711 3.473 2.857 63 1HD1 LEU 8 HD11 LEU 8 4.275 5.883 3.946 64 2HD1 LEU 8 HD12 LEU 8 5.392 5.824 2.583 65 3HD1 LEU 8 HD13 LEU 8 5.983 5.537 4.220 66 1HD2 LEU 8 HD21 LEU 8 5.760 3.014 5.114 67 2HD2 LEU 8 HD22 LEU 8 4.207 2.319 4.650 68 3HD2 LEU 8 HD23 LEU 8 4.267 3.897 5.434 69 H VAL 9 HN VAL 9 3.452 2.369 -0.094 70 HA VAL 9 HA VAL 9 0.777 2.835 -0.867 71 HB VAL 9 HB VAL 9 2.953 1.599 -2.561 72 1HG1 VAL 9 HG11 VAL 9 1.440 1.593 -4.188 73 2HG1 VAL 9 HG12 VAL 9 1.219 3.332 -3.997 74 3HG1 VAL 9 HG13 VAL 9 0.223 2.210 -3.069 75 1HG2 VAL 9 HG21 VAL 9 4.036 3.539 -2.528 76 2HG2 VAL 9 HG22 VAL 9 2.882 4.155 -1.345 77 3HG2 VAL 9 HG23 VAL 9 2.583 4.381 -3.068 78 H GLY 10 HN GLY 10 2.735 -0.103 -0.622 79 1HA GLY 10 HA2 GLY 10 0.828 -1.886 -1.705 80 2HA GLY 10 HA1 GLY 10 2.146 -2.326 -0.622 81 H SER 11 HN SER 11 1.197 -0.387 1.402 82 HA SER 11 HA SER 11 -0.659 -2.146 2.738 83 1HB SER 11 HB2 SER 11 0.904 0.291 3.515 84 2HB SER 11 HB1 SER 11 -0.474 -0.196 4.502 85 HG SER 11 HG SER 11 0.537 -2.280 4.661 86 H ALA 12 HN ALA 12 -0.609 1.152 1.470 87 HA ALA 12 HA ALA 12 -3.313 1.726 2.138 88 1HB ALA 12 HB1 ALA 12 -2.532 3.367 -0.014 89 2HB ALA 12 HB2 ALA 12 -1.105 3.134 0.995 90 3HB ALA 12 HB3 ALA 12 -2.586 3.783 1.699 91 H LEU 13 HN LEU 13 -1.789 -0.077 -0.226 92 HA LEU 13 HA LEU 13 -3.676 0.143 -2.343 93 1HB LEU 13 HB2 LEU 13 -1.299 -1.465 -1.695 94 2HB LEU 13 HB1 LEU 13 -2.453 -2.208 -2.790 95 HG LEU 13 HG LEU 13 -1.228 0.508 -3.239 96 1HD1 LEU 13 HD11 LEU 13 -0.102 -0.973 -5.135 97 2HD1 LEU 13 HD12 LEU 13 -0.276 -2.219 -3.899 98 3HD1 LEU 13 HD13 LEU 13 0.636 -0.750 -3.549 99 1HD2 LEU 13 HD21 LEU 13 -2.162 0.406 -5.403 100 2HD2 LEU 13 HD22 LEU 13 -3.456 -0.066 -4.301 101 3HD2 LEU 13 HD23 LEU 13 -2.590 -1.295 -5.222 102 H GLY 14 HN GLY 14 -3.382 -1.797 0.530 103 1HA GLY 14 HA2 GLY 14 -5.480 -3.634 -0.311 104 2HA GLY 14 HA1 GLY 14 -4.589 -3.690 1.206 105 H GLY 15 HN GLY 15 -5.010 -0.790 1.586 106 1HA GLY 15 HA2 GLY 15 -7.464 -0.979 3.046 107 2HA GLY 15 HA1 GLY 15 -6.399 0.414 2.952 108 H LEU 16 HN LEU 16 -6.455 0.536 0.024 109 HA LEU 16 HA LEU 16 -8.853 2.083 -0.224 110 1HB LEU 16 HB2 LEU 16 -6.728 2.808 -1.224 111 2HB LEU 16 HB1 LEU 16 -6.745 1.403 -2.273 112 HG LEU 16 HG LEU 16 -8.917 2.279 -3.230 113 1HD1 LEU 16 HD11 LEU 16 -8.874 3.983 -1.106 114 2HD1 LEU 16 HD12 LEU 16 -9.831 4.212 -2.570 115 3HD1 LEU 16 HD13 LEU 16 -8.266 5.010 -2.406 116 1HD2 LEU 16 HD21 LEU 16 -6.640 2.508 -4.273 117 2HD2 LEU 16 HD22 LEU 16 -6.574 4.133 -3.591 118 3HD2 LEU 16 HD23 LEU 16 -7.822 3.720 -4.766 119 H LEU 17 HN LEU 17 -7.731 -1.041 -1.194 120 HA LEU 17 HA LEU 17 -9.777 -1.486 -3.094 121 1HB LEU 17 HB2 LEU 17 -8.812 -3.545 -3.523 122 2HB LEU 17 HB1 LEU 17 -7.452 -2.544 -3.060 123 HG LEU 17 HG LEU 17 -7.741 -3.555 -0.713 124 1HD1 LEU 17 HD11 LEU 17 -8.670 -6.063 -1.435 125 2HD1 LEU 17 HD12 LEU 17 -9.820 -4.947 -2.171 126 3HD1 LEU 17 HD13 LEU 17 -9.510 -4.876 -0.437 127 1HD2 LEU 17 HD21 LEU 17 -5.982 -4.066 -2.498 128 2HD2 LEU 17 HD22 LEU 17 -6.922 -5.523 -2.824 129 3HD2 LEU 17 HD23 LEU 17 -6.226 -5.262 -1.225 130 H LYS 18 HN LYS 18 -9.471 -1.791 0.283 131 HA LYS 18 HA LYS 18 -11.216 -3.862 0.779 132 1HB LYS 18 HB2 LYS 18 -10.629 -3.446 2.885 133 2HB LYS 18 HB1 LYS 18 -9.713 -2.074 2.290 134 1HG LYS 18 HG2 LYS 18 -12.347 -1.175 2.538 135 2HG LYS 18 HG1 LYS 18 -12.029 -2.136 3.974 136 1HD LYS 18 HD2 LYS 18 -10.931 -0.404 4.828 137 2HD LYS 18 HD1 LYS 18 -9.740 -0.557 3.534 138 1HE LYS 18 HE2 LYS 18 -10.398 1.564 3.091 139 2HE LYS 18 HE1 LYS 18 -11.668 0.726 2.194 140 1HZ LYS 18 HZ1 LYS 18 -12.411 1.016 4.914 141 2HZ LYS 18 HZ2 LYS 18 -13.187 1.609 3.534 142 3HZ LYS 18 HZ3 LYS 18 -11.979 2.525 4.282 143 H LYS 19 HN LYS 19 -11.899 -0.376 0.541 144 HA LYS 19 HA LYS 19 -14.755 -0.947 0.660 145 1HB LYS 19 HB2 LYS 19 -15.076 1.192 1.319 146 2HB LYS 19 HB1 LYS 19 -13.385 1.062 1.761 147 1HG LYS 19 HG2 LYS 19 -14.526 2.325 -0.708 148 2HG LYS 19 HG1 LYS 19 -13.732 3.136 0.638 149 1HD LYS 19 HD2 LYS 19 -12.313 1.056 -0.972 150 2HD LYS 19 HD1 LYS 19 -12.392 2.723 -1.526 151 1HE LYS 19 HE2 LYS 19 -10.843 1.494 0.642 152 2HE LYS 19 HE1 LYS 19 -10.483 2.894 -0.366 153 1HZ LYS 19 HZ1 LYS 19 -12.275 2.846 2.001 154 2HZ LYS 19 HZ2 LYS 19 -12.059 4.185 0.991 155 3HZ LYS 19 HZ3 LYS 19 -10.759 3.591 1.897 156 H ILE 20 HN ILE 20 -12.358 -0.635 -1.647 157 HA ILE 20 HA ILE 20 -13.474 0.762 -3.722 158 HB ILE 20 HB ILE 20 -11.193 -0.481 -3.508 159 1HG1 ILE 20 HG12 ILE 20 -11.951 1.091 -5.312 160 2HG1 ILE 20 HG11 ILE 20 -10.792 -0.124 -5.839 161 1HG2 ILE 20 HG21 ILE 20 -12.478 -2.735 -3.602 162 2HG2 ILE 20 HG22 ILE 20 -10.949 -2.570 -4.462 163 3HG2 ILE 20 HG23 ILE 20 -12.471 -2.464 -5.344 164 1HD1 ILE 20 HD11 ILE 20 -12.483 0.130 -7.509 165 2HD1 ILE 20 HD12 ILE 20 -13.759 -0.126 -6.321 166 3HD1 ILE 20 HD13 ILE 20 -12.675 -1.449 -6.748 Start of MODEL 18 1 1H ILE 1 HT1 ILE 1 17.760 1.175 3.064 2 2H ILE 1 HT2 ILE 1 17.576 2.014 1.578 3 3H ILE 1 HT3 ILE 1 18.823 0.848 1.759 4 HA ILE 1 HA ILE 1 17.297 -0.295 0.591 5 HB ILE 1 HB ILE 1 16.382 -0.813 3.419 6 1HG1 ILE 1 HG12 ILE 1 18.699 -2.187 2.073 7 2HG1 ILE 1 HG11 ILE 1 18.933 -0.712 3.007 8 1HG2 ILE 1 HG21 ILE 1 15.072 -2.231 2.250 9 2HG2 ILE 1 HG22 ILE 1 16.532 -3.221 2.228 10 3HG2 ILE 1 HG23 ILE 1 16.128 -2.213 0.838 11 1HD1 ILE 1 HD11 ILE 1 19.248 -3.040 4.117 12 2HD1 ILE 1 HD12 ILE 1 17.489 -3.008 4.237 13 3HD1 ILE 1 HD13 ILE 1 18.448 -1.739 5.000 14 H ILE 2 HN ILE 2 15.672 0.401 -0.623 15 HA ILE 2 HA ILE 2 13.447 1.854 0.588 16 HB ILE 2 HB ILE 2 13.767 1.271 -2.347 17 1HG1 ILE 2 HG12 ILE 2 14.667 3.868 -1.950 18 2HG1 ILE 2 HG11 ILE 2 15.427 2.965 -0.644 19 1HG2 ILE 2 HG21 ILE 2 11.609 2.151 -1.524 20 2HG2 ILE 2 HG22 ILE 2 12.424 3.254 -2.632 21 3HG2 ILE 2 HG23 ILE 2 12.455 3.565 -0.897 22 1HD1 ILE 2 HD11 ILE 2 15.681 2.519 -3.599 23 2HD1 ILE 2 HD12 ILE 2 16.207 1.333 -2.404 24 3HD1 ILE 2 HD13 ILE 2 16.942 2.937 -2.439 25 H GLY 3 HN GLY 3 13.451 -0.762 1.386 26 1HA GLY 3 HA2 GLY 3 11.599 -2.217 -0.343 27 2HA GLY 3 HA1 GLY 3 12.396 -2.849 1.089 28 HA PRO 4 HA PRO 4 9.104 -1.882 3.872 29 1HB PRO 4 HB2 PRO 4 10.191 0.723 4.790 30 2HB PRO 4 HB1 PRO 4 9.724 -0.696 5.735 31 1HG PRO 4 HG2 PRO 4 12.292 -0.106 5.342 32 2HG PRO 4 HG1 PRO 4 11.729 -1.788 5.332 33 1HD PRO 4 HD2 PRO 4 12.453 -0.017 3.036 34 2HD PRO 4 HD1 PRO 4 12.750 -1.753 3.260 35 H VAL 5 HN VAL 5 10.000 0.627 1.699 36 HA VAL 5 HA VAL 5 7.939 2.464 1.991 37 HB VAL 5 HB VAL 5 9.076 1.611 -0.668 38 1HG1 VAL 5 HG11 VAL 5 7.174 3.146 -0.765 39 2HG1 VAL 5 HG12 VAL 5 8.659 3.930 -1.301 40 3HG1 VAL 5 HG13 VAL 5 8.018 4.262 0.308 41 1HG2 VAL 5 HG21 VAL 5 10.640 3.657 -0.071 42 2HG2 VAL 5 HG22 VAL 5 11.046 2.013 0.420 43 3HG2 VAL 5 HG23 VAL 5 10.309 3.121 1.577 44 H LEU 6 HN LEU 6 8.058 -0.312 -0.237 45 HA LEU 6 HA LEU 6 5.533 -0.136 -1.317 46 1HB LEU 6 HB2 LEU 6 7.448 -2.352 -0.839 47 2HB LEU 6 HB1 LEU 6 5.800 -2.800 -1.238 48 HG LEU 6 HG LEU 6 6.756 -0.776 -3.062 49 1HD1 LEU 6 HD11 LEU 6 8.333 -2.550 -4.179 50 2HD1 LEU 6 HD12 LEU 6 8.543 -3.092 -2.514 51 3HD1 LEU 6 HD13 LEU 6 8.946 -1.434 -2.959 52 1HD2 LEU 6 HD21 LEU 6 4.846 -2.329 -3.385 53 2HD2 LEU 6 HD22 LEU 6 5.999 -3.654 -3.537 54 3HD2 LEU 6 HD23 LEU 6 6.002 -2.344 -4.717 55 H GLY 7 HN GLY 7 6.472 -1.142 1.863 56 1HA GLY 7 HA2 GLY 7 4.003 -2.473 2.488 57 2HA GLY 7 HA1 GLY 7 5.277 -2.041 3.622 58 H LEU 8 HN LEU 8 5.234 0.773 2.636 59 HA LEU 8 HA LEU 8 3.233 1.697 4.459 60 1HB LEU 8 HB2 LEU 8 4.832 3.434 2.596 61 2HB LEU 8 HB1 LEU 8 4.130 3.869 4.142 62 HG LEU 8 HG LEU 8 6.425 1.943 3.793 63 1HD1 LEU 8 HD11 LEU 8 7.905 3.624 4.064 64 2HD1 LEU 8 HD12 LEU 8 6.817 4.565 5.084 65 3HD1 LEU 8 HD13 LEU 8 6.613 4.576 3.333 66 1HD2 LEU 8 HD21 LEU 8 5.592 1.332 5.819 67 2HD2 LEU 8 HD22 LEU 8 4.840 2.901 6.108 68 3HD2 LEU 8 HD23 LEU 8 6.578 2.702 6.330 69 H VAL 9 HN VAL 9 3.784 1.975 0.962 70 HA VAL 9 HA VAL 9 1.415 3.408 0.407 71 HB VAL 9 HB VAL 9 2.819 1.467 -1.440 72 1HG1 VAL 9 HG11 VAL 9 1.453 2.165 -3.071 73 2HG1 VAL 9 HG12 VAL 9 1.563 3.850 -2.564 74 3HG1 VAL 9 HG13 VAL 9 0.419 2.764 -1.772 75 1HG2 VAL 9 HG21 VAL 9 3.839 3.677 -2.303 76 2HG2 VAL 9 HG22 VAL 9 4.512 2.950 -0.843 77 3HG2 VAL 9 HG23 VAL 9 3.404 4.316 -0.718 78 H GLY 10 HN GLY 10 2.163 0.005 0.783 79 1HA GLY 10 HA2 GLY 10 -0.197 -1.129 -0.209 80 2HA GLY 10 HA1 GLY 10 0.819 -1.834 1.043 81 H SER 11 HN SER 11 0.477 0.620 2.708 82 HA SER 11 HA SER 11 -1.726 -0.280 4.237 83 1HB SER 11 HB2 SER 11 0.436 1.262 4.790 84 2HB SER 11 HB1 SER 11 -0.809 2.504 4.656 85 HG SER 11 HG SER 11 -0.348 0.822 6.674 86 H ALA 12 HN ALA 12 -1.240 2.667 2.301 87 HA ALA 12 HA ALA 12 -3.972 3.454 2.517 88 1HB ALA 12 HB1 ALA 12 -1.544 4.525 1.268 89 2HB ALA 12 HB2 ALA 12 -2.828 5.359 2.144 90 3HB ALA 12 HB3 ALA 12 -3.052 4.929 0.448 91 H LEU 13 HN LEU 13 -2.127 1.490 0.471 92 HA LEU 13 HA LEU 13 -3.849 1.490 -1.801 93 1HB LEU 13 HB2 LEU 13 -1.453 0.024 -0.901 94 2HB LEU 13 HB1 LEU 13 -2.473 -0.778 -2.081 95 HG LEU 13 HG LEU 13 -1.286 1.969 -2.456 96 1HD1 LEU 13 HD11 LEU 13 0.163 0.772 -4.131 97 2HD1 LEU 13 HD12 LEU 13 -0.359 -0.738 -3.384 98 3HD1 LEU 13 HD13 LEU 13 0.532 0.453 -2.436 99 1HD2 LEU 13 HD21 LEU 13 -2.188 0.340 -4.738 100 2HD2 LEU 13 HD22 LEU 13 -2.336 2.073 -4.448 101 3HD2 LEU 13 HD23 LEU 13 -3.462 0.953 -3.682 102 H GLY 14 HN GLY 14 -3.696 -0.277 1.191 103 1HA GLY 14 HA2 GLY 14 -5.482 -2.372 0.293 104 2HA GLY 14 HA1 GLY 14 -4.887 -2.131 1.933 105 H GLY 15 HN GLY 15 -5.682 0.766 1.659 106 1HA GLY 15 HA2 GLY 15 -8.212 0.541 2.905 107 2HA GLY 15 HA1 GLY 15 -7.416 2.030 2.421 108 H LEU 16 HN LEU 16 -7.215 1.791 -0.282 109 HA LEU 16 HA LEU 16 -9.933 2.227 -1.105 110 1HB LEU 16 HB2 LEU 16 -7.292 2.327 -2.549 111 2HB LEU 16 HB1 LEU 16 -8.822 2.608 -3.359 112 HG LEU 16 HG LEU 16 -8.086 4.237 -0.954 113 1HD1 LEU 16 HD11 LEU 16 -7.241 4.838 -3.785 114 2HD1 LEU 16 HD12 LEU 16 -6.163 4.339 -2.481 115 3HD1 LEU 16 HD13 LEU 16 -7.018 5.878 -2.378 116 1HD2 LEU 16 HD21 LEU 16 -9.787 5.578 -1.586 117 2HD2 LEU 16 HD22 LEU 16 -10.348 4.120 -2.404 118 3HD2 LEU 16 HD23 LEU 16 -9.469 5.355 -3.306 119 H LEU 17 HN LEU 17 -7.743 -0.353 -1.051 120 HA LEU 17 HA LEU 17 -8.753 -1.835 -3.234 121 1HB LEU 17 HB2 LEU 17 -6.472 -2.152 -2.542 122 2HB LEU 17 HB1 LEU 17 -6.982 -2.574 -0.919 123 HG LEU 17 HG LEU 17 -8.236 -4.528 -2.199 124 1HD1 LEU 17 HD11 LEU 17 -7.151 -3.402 -4.360 125 2HD1 LEU 17 HD12 LEU 17 -7.430 -5.138 -4.227 126 3HD1 LEU 17 HD13 LEU 17 -5.826 -4.476 -3.911 127 1HD2 LEU 17 HD21 LEU 17 -6.133 -4.379 -0.542 128 2HD2 LEU 17 HD22 LEU 17 -5.336 -5.015 -1.981 129 3HD2 LEU 17 HD23 LEU 17 -6.693 -5.886 -1.267 130 H LYS 18 HN LYS 18 -9.616 -1.384 0.043 131 HA LYS 18 HA LYS 18 -10.822 -3.805 0.584 132 1HB LYS 18 HB2 LYS 18 -11.215 -2.874 2.572 133 2HB LYS 18 HB1 LYS 18 -10.423 -1.442 1.944 134 1HG LYS 18 HG2 LYS 18 -13.096 -1.278 1.111 135 2HG LYS 18 HG1 LYS 18 -13.132 -1.804 2.787 136 1HD LYS 18 HD2 LYS 18 -12.834 0.326 3.359 137 2HD LYS 18 HD1 LYS 18 -11.201 0.203 2.701 138 1HE LYS 18 HE2 LYS 18 -11.849 1.866 1.339 139 2HE LYS 18 HE1 LYS 18 -12.673 0.588 0.443 140 1HZ LYS 18 HZ1 LYS 18 -14.686 1.278 1.143 141 2HZ LYS 18 HZ2 LYS 18 -13.899 2.760 1.354 142 3HZ LYS 18 HZ3 LYS 18 -14.139 1.735 2.678 143 H LYS 19 HN LYS 19 -12.231 -0.855 -0.810 144 HA LYS 19 HA LYS 19 -14.713 -2.286 -1.322 145 1HB LYS 19 HB2 LYS 19 -15.743 -0.278 -1.399 146 2HB LYS 19 HB1 LYS 19 -14.311 0.246 -0.530 147 1HG LYS 19 HG2 LYS 19 -14.847 0.517 -3.471 148 2HG LYS 19 HG1 LYS 19 -14.788 1.808 -2.275 149 1HD LYS 19 HD2 LYS 19 -12.434 0.032 -2.776 150 2HD LYS 19 HD1 LYS 19 -12.736 1.440 -3.783 151 1HE LYS 19 HE2 LYS 19 -11.741 1.229 -1.034 152 2HE LYS 19 HE1 LYS 19 -11.442 2.457 -2.261 153 1HZ LYS 19 HZ1 LYS 19 -13.612 3.420 -1.770 154 2HZ LYS 19 HZ2 LYS 19 -12.638 3.383 -0.388 155 3HZ LYS 19 HZ3 LYS 19 -13.880 2.252 -0.576 156 H ILE 20 HN ILE 20 -11.805 -1.707 -2.868 157 HA ILE 20 HA ILE 20 -12.432 -1.184 -5.490 158 HB ILE 20 HB ILE 20 -10.126 -1.492 -4.376 159 1HG1 ILE 20 HG12 ILE 20 -9.183 -2.266 -6.688 160 2HG1 ILE 20 HG11 ILE 20 -10.869 -2.214 -7.194 161 1HG2 ILE 20 HG21 ILE 20 -9.921 -4.145 -5.616 162 2HG2 ILE 20 HG22 ILE 20 -10.889 -4.089 -4.143 163 3HG2 ILE 20 HG23 ILE 20 -9.217 -3.530 -4.121 164 1HD1 ILE 20 HD11 ILE 20 -10.563 -0.067 -7.629 165 2HD1 ILE 20 HD12 ILE 20 -8.987 -0.067 -6.836 166 3HD1 ILE 20 HD13 ILE 20 -10.451 0.201 -5.889 Start of MODEL 19 1 1H ILE 1 HT1 ILE 1 10.870 -2.821 1.426 2 2H ILE 1 HT2 ILE 1 10.443 -4.233 2.300 3 3H ILE 1 HT3 ILE 1 9.608 -3.830 0.860 4 HA ILE 1 HA ILE 1 11.736 -5.488 1.125 5 HB ILE 1 HB ILE 1 10.844 -4.101 -1.409 6 1HG1 ILE 1 HG12 ILE 1 9.724 -6.749 -0.821 7 2HG1 ILE 1 HG11 ILE 1 9.195 -5.502 0.300 8 1HG2 ILE 1 HG21 ILE 1 12.939 -5.730 -1.157 9 2HG2 ILE 1 HG22 ILE 1 11.912 -5.715 -2.591 10 3HG2 ILE 1 HG23 ILE 1 11.672 -6.941 -1.347 11 1HD1 ILE 1 HD11 ILE 1 8.088 -4.322 -1.329 12 2HD1 ILE 1 HD12 ILE 1 7.846 -5.985 -1.867 13 3HD1 ILE 1 HD13 ILE 1 9.080 -4.981 -2.629 14 H ILE 2 HN ILE 2 11.835 -2.436 -0.729 15 HA ILE 2 HA ILE 2 14.636 -2.102 0.089 16 HB ILE 2 HB ILE 2 13.743 -1.610 -2.747 17 1HG1 ILE 2 HG12 ILE 2 15.359 -3.985 -1.821 18 2HG1 ILE 2 HG11 ILE 2 13.609 -4.056 -2.005 19 1HG2 ILE 2 HG21 ILE 2 16.409 -2.021 -2.824 20 2HG2 ILE 2 HG22 ILE 2 16.240 -1.305 -1.221 21 3HG2 ILE 2 HG23 ILE 2 15.660 -0.435 -2.642 22 1HD1 ILE 2 HD11 ILE 2 14.502 -2.987 -4.397 23 2HD1 ILE 2 HD12 ILE 2 13.973 -4.644 -4.106 24 3HD1 ILE 2 HD13 ILE 2 15.685 -4.232 -3.999 25 H GLY 3 HN GLY 3 12.415 -0.784 1.169 26 1HA GLY 3 HA2 GLY 3 13.114 1.802 1.375 27 2HA GLY 3 HA1 GLY 3 12.169 1.807 -0.108 28 HA PRO 4 HA PRO 4 9.605 1.283 4.094 29 1HB PRO 4 HB2 PRO 4 9.933 4.208 4.450 30 2HB PRO 4 HB1 PRO 4 9.864 2.929 5.666 31 1HG PRO 4 HG2 PRO 4 12.176 4.110 5.035 32 2HG PRO 4 HG1 PRO 4 12.097 2.378 5.408 33 1HD PRO 4 HD2 PRO 4 12.368 3.742 2.768 34 2HD PRO 4 HD1 PRO 4 13.078 2.214 3.330 35 H VAL 5 HN VAL 5 9.811 3.590 1.533 36 HA VAL 5 HA VAL 5 7.313 4.776 1.582 37 HB VAL 5 HB VAL 5 8.746 3.901 -0.926 38 1HG1 VAL 5 HG11 VAL 5 7.467 5.400 -2.089 39 2HG1 VAL 5 HG12 VAL 5 7.209 6.436 -0.685 40 3HG1 VAL 5 HG13 VAL 5 6.312 4.927 -0.843 41 1HG2 VAL 5 HG21 VAL 5 10.391 5.049 0.283 42 2HG2 VAL 5 HG22 VAL 5 9.233 6.218 0.920 43 3HG2 VAL 5 HG23 VAL 5 9.697 6.273 -0.781 44 H LEU 6 HN LEU 6 8.230 1.841 -0.234 45 HA LEU 6 HA LEU 6 5.710 1.207 -1.196 46 1HB LEU 6 HB2 LEU 6 6.536 -0.978 -1.637 47 2HB LEU 6 HB1 LEU 6 7.859 0.145 -1.888 48 HG LEU 6 HG LEU 6 8.456 -0.487 0.595 49 1HD1 LEU 6 HD11 LEU 6 6.318 -2.302 -0.018 50 2HD1 LEU 6 HD12 LEU 6 7.191 -2.068 1.496 51 3HD1 LEU 6 HD13 LEU 6 7.810 -3.193 0.288 52 1HD2 LEU 6 HD21 LEU 6 10.144 -1.004 -0.813 53 2HD2 LEU 6 HD22 LEU 6 9.072 -1.755 -1.994 54 3HD2 LEU 6 HD23 LEU 6 9.560 -2.647 -0.556 55 H GLY 7 HN GLY 7 7.044 0.832 1.981 56 1HA GLY 7 HA2 GLY 7 5.159 -1.110 2.908 57 2HA GLY 7 HA1 GLY 7 6.226 -0.127 3.907 58 H LEU 8 HN LEU 8 5.296 2.375 2.716 59 HA LEU 8 HA LEU 8 3.045 2.760 4.434 60 1HB LEU 8 HB2 LEU 8 4.108 4.748 2.440 61 2HB LEU 8 HB1 LEU 8 3.203 5.078 3.905 62 HG LEU 8 HG LEU 8 6.042 4.074 3.750 63 1HD1 LEU 8 HD11 LEU 8 5.600 6.526 5.196 64 2HD1 LEU 8 HD12 LEU 8 5.024 6.657 3.535 65 3HD1 LEU 8 HD13 LEU 8 6.695 6.191 3.855 66 1HD2 LEU 8 HD21 LEU 8 4.985 4.997 6.322 67 2HD2 LEU 8 HD22 LEU 8 6.025 3.624 5.948 68 3HD2 LEU 8 HD23 LEU 8 4.280 3.489 5.740 69 H VAL 9 HN VAL 9 3.621 2.919 0.942 70 HA VAL 9 HA VAL 9 0.959 3.470 0.196 71 HB VAL 9 HB VAL 9 2.969 1.900 -1.427 72 1HG1 VAL 9 HG11 VAL 9 0.297 2.667 -1.921 73 2HG1 VAL 9 HG12 VAL 9 1.444 1.931 -3.041 74 3HG1 VAL 9 HG13 VAL 9 1.322 3.687 -2.931 75 1HG2 VAL 9 HG21 VAL 9 2.717 4.839 -0.907 76 2HG2 VAL 9 HG22 VAL 9 3.385 4.247 -2.428 77 3HG2 VAL 9 HG23 VAL 9 4.160 3.825 -0.901 78 H GLY 10 HN GLY 10 2.667 0.537 1.027 79 1HA GLY 10 HA2 GLY 10 0.834 -1.361 0.045 80 2HA GLY 10 HA1 GLY 10 1.951 -1.613 1.382 81 H SER 11 HN SER 11 0.918 0.614 2.920 82 HA SER 11 HA SER 11 -1.093 -0.742 4.375 83 1HB SER 11 HB2 SER 11 0.575 0.980 5.266 84 2HB SER 11 HB1 SER 11 -0.481 2.211 4.573 85 HG SER 11 HG SER 11 -1.645 2.014 6.296 86 H ALA 12 HN ALA 12 -1.160 2.173 2.341 87 HA ALA 12 HA ALA 12 -3.987 2.445 2.443 88 1HB ALA 12 HB1 ALA 12 -3.306 3.846 0.233 89 2HB ALA 12 HB2 ALA 12 -1.761 3.797 1.083 90 3HB ALA 12 HB3 ALA 12 -3.183 4.474 1.876 91 H LEU 13 HN LEU 13 -1.867 0.470 0.771 92 HA LEU 13 HA LEU 13 -3.365 0.008 -1.599 93 1HB LEU 13 HB2 LEU 13 -0.974 -1.077 -0.290 94 2HB LEU 13 HB1 LEU 13 -1.834 -2.193 -1.334 95 HG LEU 13 HG LEU 13 -0.802 0.509 -2.182 96 1HD1 LEU 13 HD11 LEU 13 0.583 -1.314 -3.629 97 2HD1 LEU 13 HD12 LEU 13 0.431 -2.156 -2.087 98 3HD1 LEU 13 HD13 LEU 13 1.175 -0.559 -2.149 99 1HD2 LEU 13 HD21 LEU 13 -2.465 -1.569 -3.473 100 2HD2 LEU 13 HD22 LEU 13 -1.197 -0.841 -4.459 101 3HD2 LEU 13 HD23 LEU 13 -2.433 0.177 -3.720 102 H GLY 14 HN GLY 14 -3.394 -1.285 1.633 103 1HA GLY 14 HA2 GLY 14 -5.051 -3.555 0.869 104 2HA GLY 14 HA1 GLY 14 -4.479 -3.175 2.491 105 H GLY 15 HN GLY 15 -5.302 -0.404 2.327 106 1HA GLY 15 HA2 GLY 15 -7.998 -0.728 3.234 107 2HA GLY 15 HA1 GLY 15 -7.095 0.779 3.132 108 H LEU 16 HN LEU 16 -6.428 0.549 0.361 109 HA LEU 16 HA LEU 16 -8.841 1.599 -0.784 110 1HB LEU 16 HB2 LEU 16 -6.050 1.145 -1.786 111 2HB LEU 16 HB1 LEU 16 -7.329 1.649 -2.873 112 HG LEU 16 HG LEU 16 -6.774 3.243 -0.398 113 1HD1 LEU 16 HD11 LEU 16 -5.411 3.952 -2.947 114 2HD1 LEU 16 HD12 LEU 16 -4.676 2.738 -1.900 115 3HD1 LEU 16 HD13 LEU 16 -4.986 4.361 -1.285 116 1HD2 LEU 16 HD21 LEU 16 -8.715 3.947 -1.499 117 2HD2 LEU 16 HD22 LEU 16 -7.993 3.743 -3.095 118 3HD2 LEU 16 HD23 LEU 16 -7.468 5.065 -2.052 119 H LEU 17 HN LEU 17 -7.414 -1.421 -0.472 120 HA LEU 17 HA LEU 17 -8.273 -2.652 -2.860 121 1HB LEU 17 HB2 LEU 17 -6.432 -3.296 -1.085 122 2HB LEU 17 HB1 LEU 17 -7.749 -4.209 -0.389 123 HG LEU 17 HG LEU 17 -6.365 -5.617 -1.806 124 1HD1 LEU 17 HD11 LEU 17 -8.876 -5.269 -3.373 125 2HD1 LEU 17 HD12 LEU 17 -8.962 -5.760 -1.685 126 3HD1 LEU 17 HD13 LEU 17 -8.073 -6.745 -2.846 127 1HD2 LEU 17 HD21 LEU 17 -6.924 -4.879 -4.408 128 2HD2 LEU 17 HD22 LEU 17 -5.391 -4.663 -3.565 129 3HD2 LEU 17 HD23 LEU 17 -6.565 -3.349 -3.607 130 H LYS 18 HN LYS 18 -9.704 -1.918 0.162 131 HA LYS 18 HA LYS 18 -11.588 -3.947 0.251 132 1HB LYS 18 HB2 LYS 18 -12.143 -3.041 2.211 133 2HB LYS 18 HB1 LYS 18 -10.843 -1.904 1.916 134 1HG LYS 18 HG2 LYS 18 -13.128 -0.883 0.619 135 2HG LYS 18 HG1 LYS 18 -13.635 -1.419 2.215 136 1HD LYS 18 HD2 LYS 18 -12.796 0.469 3.039 137 2HD LYS 18 HD1 LYS 18 -11.189 -0.102 2.586 138 1HE LYS 18 HE2 LYS 18 -11.087 1.687 1.257 139 2HE LYS 18 HE1 LYS 18 -12.217 0.829 0.208 140 1HZ LYS 18 HZ1 LYS 18 -13.764 2.341 0.633 141 2HZ LYS 18 HZ2 LYS 18 -12.628 3.242 1.502 142 3HZ LYS 18 HZ3 LYS 18 -13.612 2.126 2.304 143 H LYS 19 HN LYS 19 -11.827 -0.667 -1.103 144 HA LYS 19 HA LYS 19 -14.440 -1.340 -2.195 145 1HB LYS 19 HB2 LYS 19 -14.886 0.868 -2.259 146 2HB LYS 19 HB1 LYS 19 -13.550 0.965 -1.126 147 1HG LYS 19 HG2 LYS 19 -13.424 1.430 -4.089 148 2HG LYS 19 HG1 LYS 19 -13.322 2.652 -2.825 149 1HD LYS 19 HD2 LYS 19 -11.388 0.377 -3.005 150 2HD LYS 19 HD1 LYS 19 -11.137 1.875 -3.892 151 1HE LYS 19 HE2 LYS 19 -10.893 1.272 -1.023 152 2HE LYS 19 HE1 LYS 19 -9.992 2.404 -2.030 153 1HZ LYS 19 HZ1 LYS 19 -12.721 2.832 -0.938 154 2HZ LYS 19 HZ2 LYS 19 -11.913 3.903 -1.967 155 3HZ LYS 19 HZ3 LYS 19 -11.305 3.598 -0.419 156 H ILE 20 HN ILE 20 -11.204 -1.437 -3.123 157 HA ILE 20 HA ILE 20 -11.187 -0.681 -5.760 158 HB ILE 20 HB ILE 20 -9.291 -1.667 -4.229 159 1HG1 ILE 20 HG12 ILE 20 -8.780 -2.470 -7.007 160 2HG1 ILE 20 HG11 ILE 20 -9.461 -0.856 -6.839 161 1HG2 ILE 20 HG21 ILE 20 -10.440 -3.958 -4.332 162 2HG2 ILE 20 HG22 ILE 20 -8.690 -3.888 -4.548 163 3HG2 ILE 20 HG23 ILE 20 -9.744 -4.076 -5.949 164 1HD1 ILE 20 HD11 ILE 20 -6.991 -0.906 -6.888 165 2HD1 ILE 20 HD12 ILE 20 -7.016 -1.825 -5.383 166 3HD1 ILE 20 HD13 ILE 20 -7.652 -0.180 -5.423 Start of MODEL 20 1 1H ILE 1 HT1 ILE 1 17.793 -2.731 2.255 2 2H ILE 1 HT2 ILE 1 17.200 -4.285 2.677 3 3H ILE 1 HT3 ILE 1 16.904 -2.942 3.705 4 HA ILE 1 HA ILE 1 15.723 -3.628 1.129 5 HB ILE 1 HB ILE 1 14.440 -2.444 3.582 6 1HG1 ILE 1 HG12 ILE 1 15.542 -4.486 4.302 7 2HG1 ILE 1 HG11 ILE 1 13.806 -4.762 4.204 8 1HG2 ILE 1 HG21 ILE 1 13.304 -4.132 1.359 9 2HG2 ILE 1 HG22 ILE 1 13.211 -2.373 1.438 10 3HG2 ILE 1 HG23 ILE 1 12.407 -3.354 2.663 11 1HD1 ILE 1 HD11 ILE 1 14.607 -5.528 1.729 12 2HD1 ILE 1 HD12 ILE 1 14.398 -6.613 3.104 13 3HD1 ILE 1 HD13 ILE 1 15.999 -5.987 2.709 14 H ILE 2 HN ILE 2 15.951 -0.882 3.392 15 HA ILE 2 HA ILE 2 15.616 1.357 3.076 16 HB ILE 2 HB ILE 2 17.938 1.061 2.356 17 1HG1 ILE 2 HG12 ILE 2 17.718 3.077 0.523 18 2HG1 ILE 2 HG11 ILE 2 16.161 3.177 1.338 19 1HG2 ILE 2 HG21 ILE 2 17.879 -0.398 0.544 20 2HG2 ILE 2 HG22 ILE 2 18.335 1.146 -0.174 21 3HG2 ILE 2 HG23 ILE 2 16.679 0.563 -0.317 22 1HD1 ILE 2 HD11 ILE 2 17.231 4.460 2.805 23 2HD1 ILE 2 HD12 ILE 2 18.819 3.905 2.274 24 3HD1 ILE 2 HD13 ILE 2 17.893 2.951 3.433 25 H GLY 3 HN GLY 3 13.341 0.304 2.301 26 1HA GLY 3 HA2 GLY 3 12.438 2.097 0.256 27 2HA GLY 3 HA1 GLY 3 12.445 0.427 -0.288 28 HA PRO 4 HA PRO 4 9.321 0.486 3.406 29 1HB PRO 4 HB2 PRO 4 9.026 3.351 4.022 30 2HB PRO 4 HB1 PRO 4 9.252 1.985 5.118 31 1HG PRO 4 HG2 PRO 4 11.213 3.752 4.680 32 2HG PRO 4 HG1 PRO 4 11.554 2.026 4.910 33 1HD PRO 4 HD2 PRO 4 11.426 3.608 2.364 34 2HD PRO 4 HD1 PRO 4 12.606 2.378 2.867 35 H VAL 5 HN VAL 5 9.421 2.664 0.797 36 HA VAL 5 HA VAL 5 6.842 3.667 0.644 37 HB VAL 5 HB VAL 5 8.410 2.695 -1.742 38 1HG1 VAL 5 HG11 VAL 5 6.862 5.207 -1.791 39 2HG1 VAL 5 HG12 VAL 5 5.926 3.715 -1.694 40 3HG1 VAL 5 HG13 VAL 5 7.053 3.964 -3.028 41 1HG2 VAL 5 HG21 VAL 5 10.049 4.021 -0.949 42 2HG2 VAL 5 HG22 VAL 5 8.967 4.877 0.149 43 3HG2 VAL 5 HG23 VAL 5 9.029 5.326 -1.555 44 H LEU 6 HN LEU 6 8.063 0.670 -0.860 45 HA LEU 6 HA LEU 6 5.622 -0.228 -1.848 46 1HB LEU 6 HB2 LEU 6 8.196 -1.551 -1.122 47 2HB LEU 6 HB1 LEU 6 6.806 -2.557 -1.483 48 HG LEU 6 HG LEU 6 7.613 -0.424 -3.418 49 1HD1 LEU 6 HD11 LEU 6 8.842 -2.558 -4.471 50 2HD1 LEU 6 HD12 LEU 6 9.117 -2.876 -2.759 51 3HD1 LEU 6 HD13 LEU 6 9.667 -1.360 -3.474 52 1HD2 LEU 6 HD21 LEU 6 5.706 -1.348 -4.224 53 2HD2 LEU 6 HD22 LEU 6 5.966 -2.882 -3.393 54 3HD2 LEU 6 HD23 LEU 6 6.848 -2.523 -4.877 55 H GLY 7 HN GLY 7 6.960 -0.304 1.354 56 1HA GLY 7 HA2 GLY 7 5.099 -2.260 2.363 57 2HA GLY 7 HA1 GLY 7 6.240 -1.311 3.307 58 H LEU 8 HN LEU 8 5.440 1.255 2.405 59 HA LEU 8 HA LEU 8 3.184 1.589 4.106 60 1HB LEU 8 HB2 LEU 8 3.400 4.030 3.488 61 2HB LEU 8 HB1 LEU 8 4.756 3.298 4.318 62 HG LEU 8 HG LEU 8 5.499 2.930 1.767 63 1HD1 LEU 8 HD11 LEU 8 3.388 4.301 1.168 64 2HD1 LEU 8 HD12 LEU 8 4.909 4.669 0.357 65 3HD1 LEU 8 HD13 LEU 8 4.350 5.685 1.685 66 1HD2 LEU 8 HD21 LEU 8 6.313 4.441 3.962 67 2HD2 LEU 8 HD22 LEU 8 6.278 5.575 2.612 68 3HD2 LEU 8 HD23 LEU 8 7.243 4.104 2.503 69 H VAL 9 HN VAL 9 3.756 2.104 0.639 70 HA VAL 9 HA VAL 9 1.179 3.010 0.009 71 HB VAL 9 HB VAL 9 3.045 1.395 -1.741 72 1HG1 VAL 9 HG11 VAL 9 1.328 1.355 -3.167 73 2HG1 VAL 9 HG12 VAL 9 1.544 3.097 -3.333 74 3HG1 VAL 9 HG13 VAL 9 0.379 2.459 -2.171 75 1HG2 VAL 9 HG21 VAL 9 2.708 4.377 -1.427 76 2HG2 VAL 9 HG22 VAL 9 3.712 3.588 -2.644 77 3HG2 VAL 9 HG23 VAL 9 4.105 3.422 -0.933 78 H GLY 10 HN GLY 10 2.463 -0.199 0.547 79 1HA GLY 10 HA2 GLY 10 0.345 -1.699 -0.559 80 2HA GLY 10 HA1 GLY 10 1.452 -2.255 0.691 81 H SER 11 HN SER 11 0.694 0.035 2.430 82 HA SER 11 HA SER 11 -1.434 -1.260 3.815 83 1HB SER 11 HB2 SER 11 0.120 1.277 4.250 84 2HB SER 11 HB1 SER 11 -1.314 0.936 5.217 85 HG SER 11 HG SER 11 -0.335 -0.841 6.054 86 H ALA 12 HN ALA 12 -1.140 1.796 2.035 87 HA ALA 12 HA ALA 12 -3.892 2.468 2.309 88 1HB ALA 12 HB1 ALA 12 -3.426 4.243 0.698 89 2HB ALA 12 HB2 ALA 12 -1.852 3.523 0.359 90 3HB ALA 12 HB3 ALA 12 -2.191 4.191 1.956 91 H LEU 13 HN LEU 13 -2.173 0.326 0.424 92 HA LEU 13 HA LEU 13 -3.780 0.298 -1.924 93 1HB LEU 13 HB2 LEU 13 -1.561 -1.258 -0.778 94 2HB LEU 13 HB1 LEU 13 -2.602 -2.117 -1.903 95 HG LEU 13 HG LEU 13 -1.119 0.442 -2.499 96 1HD1 LEU 13 HD11 LEU 13 -0.112 -1.359 -4.206 97 2HD1 LEU 13 HD12 LEU 13 -0.463 -2.416 -2.838 98 3HD1 LEU 13 HD13 LEU 13 0.596 -1.022 -2.626 99 1HD2 LEU 13 HD21 LEU 13 -1.815 -0.450 -4.894 100 2HD2 LEU 13 HD22 LEU 13 -2.870 0.599 -3.948 101 3HD2 LEU 13 HD23 LEU 13 -3.151 -1.142 -3.974 102 H GLY 14 HN GLY 14 -3.925 -1.238 1.194 103 1HA GLY 14 HA2 GLY 14 -5.961 -3.136 0.330 104 2HA GLY 14 HA1 GLY 14 -5.294 -2.981 1.955 105 H GLY 15 HN GLY 15 -5.682 -0.002 1.705 106 1HA GLY 15 HA2 GLY 15 -8.240 0.104 2.953 107 2HA GLY 15 HA1 GLY 15 -7.207 1.472 2.561 108 H LEU 16 HN LEU 16 -6.978 1.096 -0.213 109 HA LEU 16 HA LEU 16 -9.504 2.167 -1.069 110 1HB LEU 16 HB2 LEU 16 -6.809 1.782 -2.253 111 2HB LEU 16 HB1 LEU 16 -8.158 1.875 -3.368 112 HG LEU 16 HG LEU 16 -8.437 4.024 -1.533 113 1HD1 LEU 16 HD11 LEU 16 -6.263 5.206 -2.261 114 2HD1 LEU 16 HD12 LEU 16 -5.642 3.573 -2.503 115 3HD1 LEU 16 HD13 LEU 16 -6.205 4.076 -0.909 116 1HD2 LEU 16 HD21 LEU 16 -9.299 4.492 -3.578 117 2HD2 LEU 16 HD22 LEU 16 -8.035 3.612 -4.437 118 3HD2 LEU 16 HD23 LEU 16 -7.712 5.226 -3.802 119 H LEU 17 HN LEU 17 -7.965 -0.858 -0.961 120 HA LEU 17 HA LEU 17 -9.367 -2.128 -3.064 121 1HB LEU 17 HB2 LEU 17 -7.217 -2.977 -2.508 122 2HB LEU 17 HB1 LEU 17 -7.644 -3.126 -0.815 123 HG LEU 17 HG LEU 17 -9.371 -4.874 -1.624 124 1HD1 LEU 17 HD11 LEU 17 -7.601 -5.602 -3.815 125 2HD1 LEU 17 HD12 LEU 17 -8.463 -4.091 -4.100 126 3HD1 LEU 17 HD13 LEU 17 -9.363 -5.565 -3.744 127 1HD2 LEU 17 HD21 LEU 17 -7.848 -6.582 -1.206 128 2HD2 LEU 17 HD22 LEU 17 -7.140 -5.190 -0.388 129 3HD2 LEU 17 HD23 LEU 17 -6.513 -5.705 -1.954 130 H LYS 18 HN LYS 18 -9.973 -1.420 0.227 131 HA LYS 18 HA LYS 18 -11.676 -3.508 0.860 132 1HB LYS 18 HB2 LYS 18 -11.656 -2.521 2.855 133 2HB LYS 18 HB1 LYS 18 -10.674 -1.254 2.145 134 1HG LYS 18 HG2 LYS 18 -13.309 -0.579 1.526 135 2HG LYS 18 HG1 LYS 18 -13.344 -1.138 3.192 136 1HD LYS 18 HD2 LYS 18 -12.660 0.913 3.745 137 2HD LYS 18 HD1 LYS 18 -11.090 0.457 3.076 138 1HE LYS 18 HE2 LYS 18 -12.072 1.191 0.819 139 2HE LYS 18 HE1 LYS 18 -13.316 1.994 1.779 140 1HZ LYS 18 HZ1 LYS 18 -11.862 3.686 1.741 141 2HZ LYS 18 HZ2 LYS 18 -10.532 2.698 1.403 142 3HZ LYS 18 HZ3 LYS 18 -11.092 2.844 2.991 143 H LYS 19 HN LYS 19 -12.435 -0.271 -0.428 144 HA LYS 19 HA LYS 19 -15.194 -1.099 -0.829 145 1HB LYS 19 HB2 LYS 19 -15.750 1.077 -0.736 146 2HB LYS 19 HB1 LYS 19 -14.155 1.264 -0.028 147 1HG LYS 19 HG2 LYS 19 -14.914 1.714 -2.899 148 2HG LYS 19 HG1 LYS 19 -14.498 2.940 -1.704 149 1HD LYS 19 HD2 LYS 19 -12.619 0.763 -2.553 150 2HD LYS 19 HD1 LYS 19 -12.674 2.340 -3.333 151 1HE LYS 19 HE2 LYS 19 -12.537 2.628 -0.485 152 2HE LYS 19 HE1 LYS 19 -11.242 1.576 -1.057 153 1HZ LYS 19 HZ1 LYS 19 -10.517 3.274 -2.560 154 2HZ LYS 19 HZ2 LYS 19 -10.642 3.958 -1.019 155 3HZ LYS 19 HZ3 LYS 19 -11.836 4.262 -2.178 156 H ILE 20 HN ILE 20 -12.325 -1.162 -2.522 157 HA ILE 20 HA ILE 20 -12.885 -0.397 -5.080 158 HB ILE 20 HB ILE 20 -10.719 -1.372 -4.126 159 1HG1 ILE 20 HG12 ILE 20 -11.245 -2.510 -6.838 160 2HG1 ILE 20 HG11 ILE 20 -11.428 -0.774 -6.611 161 1HG2 ILE 20 HG21 ILE 20 -10.429 -3.579 -3.873 162 2HG2 ILE 20 HG22 ILE 20 -11.306 -3.965 -5.353 163 3HG2 ILE 20 HG23 ILE 20 -12.190 -3.655 -3.859 164 1HD1 ILE 20 HD11 ILE 20 -8.995 -2.449 -6.581 165 2HD1 ILE 20 HD12 ILE 20 -9.044 -1.071 -5.482 166 3HD1 ILE 20 HD13 ILE 20 -9.252 -0.824 -7.216
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