NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4101 | 1eqx | 4607 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 HT1 ILE 1 7.494 8.238 -3.304 2 2H ILE 1 HT2 ILE 1 5.984 8.748 -3.870 3 3H ILE 1 HT3 ILE 1 6.512 7.167 -4.172 4 HA ILE 1 HA ILE 1 6.437 7.928 -1.390 5 HB ILE 1 HB ILE 1 3.850 7.186 -1.591 6 1HG1 ILE 1 HG12 ILE 1 2.839 8.718 -3.347 7 2HG1 ILE 1 HG11 ILE 1 4.445 8.842 -4.052 8 1HG2 ILE 1 HG21 ILE 1 5.094 9.188 -0.484 9 2HG2 ILE 1 HG22 ILE 1 3.358 9.277 -0.778 10 3HG2 ILE 1 HG23 ILE 1 4.480 10.085 -1.872 11 1HD1 ILE 1 HD11 ILE 1 2.466 6.719 -4.250 12 2HD1 ILE 1 HD12 ILE 1 4.089 6.137 -3.880 13 3HD1 ILE 1 HD13 ILE 1 3.812 7.124 -5.315 14 HA PRO 2 HA PRO 2 6.923 3.514 -1.362 15 1HB PRO 2 HB2 PRO 2 6.867 3.099 1.290 16 2HB PRO 2 HB1 PRO 2 8.213 3.937 0.508 17 1HG PRO 2 HG2 PRO 2 5.885 5.074 2.006 18 2HG PRO 2 HG1 PRO 2 7.594 5.542 2.073 19 1HD PRO 2 HD2 PRO 2 5.695 6.881 0.615 20 2HD PRO 2 HD1 PRO 2 7.424 6.874 0.219 21 H GLU 3 HN GLU 3 4.276 4.312 -2.001 22 HA GLU 3 HA GLU 3 2.420 3.066 -0.197 23 1HB GLU 3 HB2 GLU 3 1.930 3.884 -3.060 24 2HB GLU 3 HB1 GLU 3 0.725 3.630 -1.806 25 1HG GLU 3 HG2 GLU 3 2.728 5.856 -2.017 26 2HG GLU 3 HG1 GLU 3 0.972 5.965 -2.092 27 H SER 4 HN SER 4 4.310 2.028 -2.863 28 HA SER 4 HA SER 4 4.694 0.041 -3.859 29 1HB SER 4 HB2 SER 4 4.222 -2.010 -2.807 30 2HB SER 4 HB1 SER 4 4.434 -0.868 -1.484 31 HG SER 4 HG SER 4 2.083 -0.682 -1.494 32 H SER 5 HN SER 5 1.281 0.675 -3.165 33 HA SER 5 HA SER 5 0.206 -0.942 -5.224 34 1HB SER 5 HB2 SER 5 -1.182 -0.094 -3.425 35 2HB SER 5 HB1 SER 5 -0.900 1.563 -3.953 36 HG SER 5 HG SER 5 -1.813 0.534 -6.068 37 H GLU 6 HN GLU 6 1.043 2.522 -5.154 38 HA GLU 6 HA GLU 6 0.291 3.099 -7.812 39 1HB GLU 6 HB2 GLU 6 2.341 4.382 -5.994 40 2HB GLU 6 HB1 GLU 6 1.914 5.028 -7.572 41 1HG GLU 6 HG2 GLU 6 -0.087 4.584 -5.374 42 2HG GLU 6 HG1 GLU 6 0.784 6.099 -5.606 43 H LEU 7 HN LEU 7 3.276 1.968 -6.351 44 HA LEU 7 HA LEU 7 4.897 2.027 -8.655 45 1HB LEU 7 HB2 LEU 7 5.059 0.421 -6.112 46 2HB LEU 7 HB1 LEU 7 6.255 0.287 -7.384 47 HG LEU 7 HG LEU 7 6.636 2.790 -7.104 48 1HD1 LEU 7 HD11 LEU 7 5.506 3.978 -5.605 49 2HD1 LEU 7 HD12 LEU 7 5.795 2.782 -4.341 50 3HD1 LEU 7 HD13 LEU 7 4.425 2.595 -5.436 51 1HD2 LEU 7 HD21 LEU 7 8.444 2.054 -6.060 52 2HD2 LEU 7 HD22 LEU 7 7.611 0.551 -5.663 53 3HD2 LEU 7 HD23 LEU 7 7.530 1.923 -4.558 54 H THR 8 HN THR 8 2.968 -0.603 -7.161 55 HA THR 8 HA THR 8 3.662 -2.529 -9.141 56 HB THR 8 HB THR 8 1.548 -3.722 -8.336 57 HG1 THR 8 HG1 THR 8 1.632 -1.878 -6.190 58 1HG2 THR 8 HG21 THR 8 3.080 -3.288 -5.891 59 2HG2 THR 8 HG22 THR 8 4.094 -3.576 -7.305 60 3HG2 THR 8 HG23 THR 8 2.865 -4.754 -6.847 61 H LEU 9 HN LEU 9 0.922 -0.292 -8.832 62 HA LEU 9 HA LEU 9 -0.558 -1.187 -11.050 63 1HB LEU 9 HB2 LEU 9 -1.471 0.350 -9.394 64 2HB LEU 9 HB1 LEU 9 -0.318 1.582 -9.868 65 HG LEU 9 HG LEU 9 -1.385 1.606 -12.136 66 1HD1 LEU 9 HD11 LEU 9 -3.682 0.155 -10.871 67 2HD1 LEU 9 HD12 LEU 9 -2.418 -0.710 -11.746 68 3HD1 LEU 9 HD13 LEU 9 -3.389 0.506 -12.575 69 1HD2 LEU 9 HD21 LEU 9 -1.960 3.059 -10.016 70 2HD2 LEU 9 HD22 LEU 9 -3.510 2.227 -10.148 71 3HD2 LEU 9 HD23 LEU 9 -2.906 3.188 -11.498 72 H GLN 10 HN GLN 10 1.890 1.404 -10.804 73 HA GLN 10 HA GLN 10 1.888 2.081 -13.551 74 1HB GLN 10 HB2 GLN 10 2.797 3.534 -11.774 75 2HB GLN 10 HB1 GLN 10 4.101 2.388 -11.510 76 1HG GLN 10 HG2 GLN 10 5.043 2.846 -13.644 77 2HG GLN 10 HG1 GLN 10 3.633 3.785 -14.130 78 1HE2 GLN 10 HE21 GLN 10 4.040 5.868 -14.164 79 2HE2 GLN 10 HE22 GLN 10 5.054 6.728 -13.063 80 H GLU 11 HN GLU 11 3.672 -0.288 -11.668 81 HA GLU 11 HA GLU 11 5.558 -1.088 -13.615 82 1HB GLU 11 HB2 GLU 11 5.887 -1.653 -11.327 83 2HB GLU 11 HB1 GLU 11 4.338 -2.465 -11.224 84 1HG GLU 11 HG2 GLU 11 5.200 -4.214 -12.731 85 2HG GLU 11 HG1 GLU 11 6.768 -3.403 -12.732 86 H LEU 12 HN LEU 12 2.393 -2.481 -12.717 87 HA LEU 12 HA LEU 12 2.367 -4.527 -14.656 88 1HB LEU 12 HB2 LEU 12 0.039 -3.042 -13.425 89 2HB LEU 12 HB1 LEU 12 -0.083 -4.545 -14.318 90 HG LEU 12 HG LEU 12 1.423 -4.206 -11.723 91 1HD1 LEU 12 HD11 LEU 12 -1.297 -5.367 -12.299 92 2HD1 LEU 12 HD12 LEU 12 -0.930 -3.947 -11.320 93 3HD1 LEU 12 HD13 LEU 12 -0.432 -5.548 -10.773 94 1HD2 LEU 12 HD21 LEU 12 0.588 -6.847 -12.778 95 2HD2 LEU 12 HD22 LEU 12 2.010 -6.398 -11.837 96 3HD2 LEU 12 HD23 LEU 12 1.953 -6.055 -13.566 97 H LEU 13 HN LEU 13 0.923 -1.263 -14.703 98 HA LEU 13 HA LEU 13 0.217 -1.499 -17.494 99 1HB LEU 13 HB2 LEU 13 -0.004 0.676 -15.453 100 2HB LEU 13 HB1 LEU 13 -0.222 1.045 -17.155 101 HG LEU 13 HG LEU 13 -1.963 -0.816 -17.170 102 1HD1 LEU 13 HD11 LEU 13 -1.111 -1.020 -14.464 103 2HD1 LEU 13 HD12 LEU 13 -2.297 -1.995 -15.332 104 3HD1 LEU 13 HD13 LEU 13 -2.804 -0.529 -14.493 105 1HD2 LEU 13 HD21 LEU 13 -2.145 1.872 -16.782 106 2HD2 LEU 13 HD22 LEU 13 -3.051 1.250 -15.403 107 3HD2 LEU 13 HD23 LEU 13 -3.517 0.795 -17.042 108 H GLY 14 HN GLY 14 2.955 -1.866 -16.849 109 1HA GLY 14 HA2 GLY 14 4.154 0.274 -18.495 110 2HA GLY 14 HA1 GLY 14 4.993 -0.389 -17.096 111 H GLU 15 HN GLU 15 4.914 -2.990 -17.201 112 HA GLU 15 HA GLU 15 6.360 -3.622 -19.631 113 1HB GLU 15 HB2 GLU 15 5.740 -5.237 -17.161 114 2HB GLU 15 HB1 GLU 15 6.558 -5.923 -18.559 115 1HG GLU 15 HG2 GLU 15 8.224 -4.003 -18.296 116 2HG GLU 15 HG1 GLU 15 7.509 -3.774 -16.702 117 H GLU 16 HN GLU 16 3.204 -4.486 -18.230 118 HA GLU 16 HA GLU 16 2.529 -6.505 -20.089 119 1HB GLU 16 HB2 GLU 16 0.779 -4.609 -18.518 120 2HB GLU 16 HB1 GLU 16 0.147 -5.925 -19.494 121 1HG GLU 16 HG2 GLU 16 1.302 -7.543 -18.107 122 2HG GLU 16 HG1 GLU 16 2.015 -6.241 -17.155 123 H ARG 17 HN ARG 17 2.051 -3.011 -20.120 124 HA ARG 17 HA ARG 17 1.121 -3.164 -22.907 125 1HB ARG 17 HB2 ARG 17 0.876 -0.898 -20.911 126 2HB ARG 17 HB1 ARG 17 0.244 -0.885 -22.552 127 1HG ARG 17 HG2 ARG 17 -1.303 -2.653 -22.023 128 2HG ARG 17 HG1 ARG 17 -0.606 -2.826 -20.411 129 1HD ARG 17 HD2 ARG 17 -1.307 -0.526 -19.883 130 2HD ARG 17 HD1 ARG 17 -2.037 -0.393 -21.482 131 HE ARG 17 HE ARG 17 -3.147 -1.679 -19.189 132 1HH1 ARG 17 HH11 ARG 17 -3.113 -1.702 -22.650 133 2HH1 ARG 17 HH12 ARG 17 -4.625 -2.526 -22.777 134 1HH2 ARG 17 HH21 ARG 17 -5.116 -2.746 -19.364 135 2HH2 ARG 17 HH22 ARG 17 -5.752 -3.111 -20.927 136 H ARG 18 HN ARG 18 3.814 -3.557 -22.359 137 HA ARG 18 HA ARG 18 5.356 -1.169 -22.583 138 1HB ARG 18 HB2 ARG 18 6.068 -3.425 -21.626 139 2HB ARG 18 HB1 ARG 18 6.262 -3.959 -23.288 140 1HG ARG 18 HG2 ARG 18 7.654 -1.494 -22.352 141 2HG ARG 18 HG1 ARG 18 8.300 -3.081 -21.943 142 1HD ARG 18 HD2 ARG 18 8.633 -3.653 -24.197 143 2HD ARG 18 HD1 ARG 18 7.600 -2.345 -24.769 144 HE ARG 18 HE ARG 18 10.379 -2.168 -24.004 145 1HH1 ARG 18 HH11 ARG 18 7.438 -0.464 -24.745 146 2HH1 ARG 18 HH12 ARG 18 8.267 1.054 -24.968 147 1HH2 ARG 18 HH21 ARG 18 11.421 -0.202 -24.308 148 2HH2 ARG 18 HH22 ARG 18 10.499 1.198 -24.724 Start of MODEL 2 1 1H ILE 1 HT1 ILE 1 0.867 1.306 3.448 2 2H ILE 1 HT2 ILE 1 -0.424 2.389 3.312 3 3H ILE 1 HT3 ILE 1 1.167 2.962 3.258 4 HA ILE 1 HA ILE 1 0.169 1.021 1.280 5 HB ILE 1 HB ILE 1 -1.400 2.805 1.092 6 1HG1 ILE 1 HG12 ILE 1 0.767 3.276 -0.967 7 2HG1 ILE 1 HG11 ILE 1 -0.435 1.992 -1.035 8 1HG2 ILE 1 HG21 ILE 1 -0.797 5.151 0.916 9 2HG2 ILE 1 HG22 ILE 1 0.910 4.741 1.082 10 3HG2 ILE 1 HG23 ILE 1 -0.197 4.466 2.427 11 1HD1 ILE 1 HD11 ILE 1 -1.668 4.585 -0.721 12 2HD1 ILE 1 HD12 ILE 1 -1.934 3.345 -1.946 13 3HD1 ILE 1 HD13 ILE 1 -0.631 4.516 -2.145 14 HA PRO 2 HA PRO 2 4.518 1.495 0.331 15 1HB PRO 2 HB2 PRO 2 4.257 -0.515 -1.698 16 2HB PRO 2 HB1 PRO 2 4.945 -0.683 -0.083 17 1HG PRO 2 HG2 PRO 2 2.612 -1.889 -0.932 18 2HG PRO 2 HG1 PRO 2 3.033 -1.583 0.761 19 1HD PRO 2 HD2 PRO 2 1.216 -0.050 -1.052 20 2HD PRO 2 HD1 PRO 2 1.051 -0.403 0.682 21 H GLU 3 HN GLU 3 4.861 3.392 -0.727 22 HA GLU 3 HA GLU 3 3.632 4.234 -3.087 23 1HB GLU 3 HB2 GLU 3 6.331 4.991 -1.969 24 2HB GLU 3 HB1 GLU 3 5.516 5.852 -3.265 25 1HG GLU 3 HG2 GLU 3 5.067 7.116 -1.371 26 2HG GLU 3 HG1 GLU 3 3.599 6.175 -1.612 27 H SER 4 HN SER 4 6.724 2.594 -2.652 28 HA SER 4 HA SER 4 7.566 2.610 -5.328 29 1HB SER 4 HB2 SER 4 9.037 0.724 -4.691 30 2HB SER 4 HB1 SER 4 9.087 2.030 -3.507 31 HG SER 4 HG SER 4 8.740 -0.372 -2.879 32 H SER 5 HN SER 5 5.499 0.359 -3.576 33 HA SER 5 HA SER 5 5.322 -1.624 -5.587 34 1HB SER 5 HB2 SER 5 4.616 -2.325 -3.495 35 2HB SER 5 HB1 SER 5 3.649 -0.880 -3.223 36 HG SER 5 HG SER 5 2.024 -1.695 -4.378 37 H GLU 6 HN GLU 6 2.988 0.924 -4.681 38 HA GLU 6 HA GLU 6 1.262 0.429 -6.841 39 1HB GLU 6 HB2 GLU 6 1.633 2.688 -4.925 40 2HB GLU 6 HB1 GLU 6 0.595 2.926 -6.323 41 1HG GLU 6 HG2 GLU 6 -0.695 2.256 -4.375 42 2HG GLU 6 HG1 GLU 6 -0.788 1.043 -5.645 43 H LEU 7 HN LEU 7 4.116 2.437 -6.530 44 HA LEU 7 HA LEU 7 3.838 3.867 -8.967 45 1HB LEU 7 HB2 LEU 7 5.408 4.406 -7.061 46 2HB LEU 7 HB1 LEU 7 6.416 3.087 -7.611 47 HG LEU 7 HG LEU 7 6.705 4.239 -9.784 48 1HD1 LEU 7 HD11 LEU 7 4.986 6.298 -8.442 49 2HD1 LEU 7 HD12 LEU 7 4.806 5.574 -10.040 50 3HD1 LEU 7 HD13 LEU 7 6.106 6.726 -9.736 51 1HD2 LEU 7 HD21 LEU 7 8.417 5.571 -9.035 52 2HD2 LEU 7 HD22 LEU 7 8.128 4.576 -7.608 53 3HD2 LEU 7 HD23 LEU 7 7.476 6.212 -7.688 54 H THR 8 HN THR 8 5.568 0.860 -8.082 55 HA THR 8 HA THR 8 6.487 0.390 -10.760 56 HB THR 8 HB THR 8 6.892 -1.979 -9.939 57 HG1 THR 8 HG1 THR 8 6.361 -0.879 -7.374 58 1HG2 THR 8 HG21 THR 8 8.297 -0.326 -7.980 59 2HG2 THR 8 HG22 THR 8 8.339 0.323 -9.620 60 3HG2 THR 8 HG23 THR 8 8.934 -1.307 -9.301 61 H LEU 9 HN LEU 9 3.689 -0.662 -8.895 62 HA LEU 9 HA LEU 9 2.668 -2.591 -10.656 63 1HB LEU 9 HB2 LEU 9 1.818 -2.257 -8.393 64 2HB LEU 9 HB1 LEU 9 1.199 -0.678 -8.839 65 HG LEU 9 HG LEU 9 -0.295 -1.850 -10.501 66 1HD1 LEU 9 HD11 LEU 9 0.971 -3.947 -10.614 67 2HD1 LEU 9 HD12 LEU 9 -0.715 -4.218 -10.170 68 3HD1 LEU 9 HD13 LEU 9 0.545 -4.287 -8.937 69 1HD2 LEU 9 HD21 LEU 9 -0.672 -2.548 -7.591 70 2HD2 LEU 9 HD22 LEU 9 -1.934 -2.464 -8.820 71 3HD2 LEU 9 HD23 LEU 9 -1.078 -1.001 -8.333 72 H GLN 10 HN GLN 10 2.048 0.919 -10.484 73 HA GLN 10 HA GLN 10 0.258 1.057 -12.668 74 1HB GLN 10 HB2 GLN 10 0.482 2.895 -11.076 75 2HB GLN 10 HB1 GLN 10 2.151 3.147 -11.567 76 1HG GLN 10 HG2 GLN 10 1.189 3.567 -13.908 77 2HG GLN 10 HG1 GLN 10 -0.362 3.730 -13.086 78 1HE2 GLN 10 HE21 GLN 10 2.203 5.390 -14.238 79 2HE2 GLN 10 HE22 GLN 10 2.093 6.812 -13.264 80 H GLU 11 HN GLU 11 3.756 1.236 -12.425 81 HA GLU 11 HA GLU 11 4.326 1.994 -15.082 82 1HB GLU 11 HB2 GLU 11 5.996 2.207 -13.369 83 2HB GLU 11 HB1 GLU 11 5.925 0.491 -13.009 84 1HG GLU 11 HG2 GLU 11 6.875 0.000 -15.212 85 2HG GLU 11 HG1 GLU 11 6.972 1.730 -15.543 86 H LEU 12 HN LEU 12 4.243 -1.220 -13.541 87 HA LEU 12 HA LEU 12 4.834 -2.697 -15.881 88 1HB LEU 12 HB2 LEU 12 3.281 -3.543 -13.432 89 2HB LEU 12 HB1 LEU 12 3.941 -4.629 -14.640 90 HG LEU 12 HG LEU 12 5.593 -2.820 -12.874 91 1HD1 LEU 12 HD11 LEU 12 6.157 -4.769 -11.606 92 2HD1 LEU 12 HD12 LEU 12 5.224 -5.804 -12.688 93 3HD1 LEU 12 HD13 LEU 12 4.399 -4.634 -11.657 94 1HD2 LEU 12 HD21 LEU 12 6.648 -5.165 -14.381 95 2HD2 LEU 12 HD22 LEU 12 7.477 -3.704 -13.844 96 3HD2 LEU 12 HD23 LEU 12 6.391 -3.642 -15.232 97 H LEU 13 HN LEU 13 1.711 -2.038 -14.271 98 HA LEU 13 HA LEU 13 0.259 -3.085 -16.567 99 1HB LEU 13 HB2 LEU 13 -0.742 -1.835 -14.010 100 2HB LEU 13 HB1 LEU 13 -1.748 -2.593 -15.231 101 HG LEU 13 HG LEU 13 0.370 -4.008 -13.617 102 1HD1 LEU 13 HD11 LEU 13 -1.863 -3.144 -12.530 103 2HD1 LEU 13 HD12 LEU 13 -1.252 -4.761 -12.183 104 3HD1 LEU 13 HD13 LEU 13 -2.549 -4.541 -13.358 105 1HD2 LEU 13 HD21 LEU 13 -1.281 -4.759 -15.929 106 2HD2 LEU 13 HD22 LEU 13 -1.267 -5.924 -14.605 107 3HD2 LEU 13 HD23 LEU 13 0.248 -5.426 -15.359 108 H GLY 14 HN GLY 14 1.855 -0.798 -17.116 109 1HA GLY 14 HA2 GLY 14 -0.286 1.020 -17.989 110 2HA GLY 14 HA1 GLY 14 1.081 1.692 -17.117 111 H GLU 15 HN GLU 15 3.279 0.644 -18.179 112 HA GLU 15 HA GLU 15 3.197 1.672 -20.909 113 1HB GLU 15 HB2 GLU 15 4.958 2.377 -19.273 114 2HB GLU 15 HB1 GLU 15 5.596 0.739 -19.321 115 1HG GLU 15 HG2 GLU 15 6.887 2.185 -20.759 116 2HG GLU 15 HG1 GLU 15 6.023 0.985 -21.721 117 H GLU 16 HN GLU 16 4.332 -1.321 -19.287 118 HA GLU 16 HA GLU 16 5.006 -2.670 -21.670 119 1HB GLU 16 HB2 GLU 16 5.724 -3.333 -19.355 120 2HB GLU 16 HB1 GLU 16 4.098 -3.946 -19.083 121 1HG GLU 16 HG2 GLU 16 4.377 -5.559 -20.871 122 2HG GLU 16 HG1 GLU 16 5.979 -4.915 -21.225 123 H ARG 17 HN ARG 17 2.008 -2.455 -19.836 124 HA ARG 17 HA ARG 17 0.620 -4.079 -21.863 125 1HB ARG 17 HB2 ARG 17 -0.718 -3.055 -19.384 126 2HB ARG 17 HB1 ARG 17 -1.035 -4.528 -20.288 127 1HG ARG 17 HG2 ARG 17 1.343 -4.018 -18.514 128 2HG ARG 17 HG1 ARG 17 -0.058 -5.014 -18.120 129 1HD ARG 17 HD2 ARG 17 0.527 -6.655 -19.682 130 2HD ARG 17 HD1 ARG 17 1.626 -5.574 -20.540 131 HE ARG 17 HE ARG 17 3.281 -6.218 -19.112 132 1HH1 ARG 17 HH11 ARG 17 0.251 -6.956 -17.598 133 2HH1 ARG 17 HH12 ARG 17 0.996 -7.670 -16.215 134 1HH2 ARG 17 HH21 ARG 17 4.235 -7.099 -17.364 135 2HH2 ARG 17 HH22 ARG 17 3.260 -7.763 -16.077 136 H ARG 18 HN ARG 18 1.515 -1.469 -22.521 137 HA ARG 18 HA ARG 18 -0.585 0.435 -22.223 138 1HB ARG 18 HB2 ARG 18 1.819 1.008 -22.507 139 2HB ARG 18 HB1 ARG 18 1.715 0.474 -24.176 140 1HG ARG 18 HG2 ARG 18 1.598 2.920 -23.912 141 2HG ARG 18 HG1 ARG 18 0.184 2.238 -24.705 142 1HD ARG 18 HD2 ARG 18 0.278 2.859 -21.761 143 2HD ARG 18 HD1 ARG 18 -0.264 4.022 -22.969 144 HE ARG 18 HE ARG 18 -1.702 1.638 -23.340 145 1HH1 ARG 18 HH11 ARG 18 -1.390 4.184 -21.004 146 2HH1 ARG 18 HH12 ARG 18 -3.000 3.993 -20.411 147 1HH2 ARG 18 HH21 ARG 18 -3.755 1.380 -22.558 148 2HH2 ARG 18 HH22 ARG 18 -4.345 2.400 -21.294 Start of MODEL 3 1 1H ILE 1 HT1 ILE 1 6.691 3.863 2.663 2 2H ILE 1 HT2 ILE 1 5.313 4.793 2.981 3 3H ILE 1 HT3 ILE 1 6.780 5.553 2.618 4 HA ILE 1 HA ILE 1 4.926 5.288 0.825 5 HB ILE 1 HB ILE 1 6.971 6.418 0.344 6 1HG1 ILE 1 HG12 ILE 1 6.686 4.147 -1.636 7 2HG1 ILE 1 HG11 ILE 1 5.691 5.598 -1.610 8 1HG2 ILE 1 HG21 ILE 1 8.247 3.708 0.503 9 2HG2 ILE 1 HG22 ILE 1 8.612 5.154 1.444 10 3HG2 ILE 1 HG23 ILE 1 9.040 5.083 -0.265 11 1HD1 ILE 1 HD11 ILE 1 7.991 6.817 -1.817 12 2HD1 ILE 1 HD12 ILE 1 7.210 6.119 -3.236 13 3HD1 ILE 1 HD13 ILE 1 8.526 5.255 -2.440 14 HA PRO 2 HA PRO 2 4.079 0.993 0.017 15 1HB PRO 2 HB2 PRO 2 2.653 1.885 -2.376 16 2HB PRO 2 HB1 PRO 2 2.015 1.146 -0.906 17 1HG PRO 2 HG2 PRO 2 1.567 3.733 -1.528 18 2HG PRO 2 HG1 PRO 2 1.726 3.171 0.147 19 1HD PRO 2 HD2 PRO 2 3.750 4.538 -1.593 20 2HD PRO 2 HD1 PRO 2 3.363 4.818 0.119 21 H GLU 3 HN GLU 3 6.551 1.098 -0.648 22 HA GLU 3 HA GLU 3 7.193 1.141 -3.418 23 1HB GLU 3 HB2 GLU 3 8.724 -0.063 -1.107 24 2HB GLU 3 HB1 GLU 3 9.371 0.217 -2.717 25 1HG GLU 3 HG2 GLU 3 8.968 2.636 -2.417 26 2HG GLU 3 HG1 GLU 3 8.434 2.311 -0.769 27 H SER 4 HN SER 4 5.127 -0.433 -3.585 28 HA SER 4 HA SER 4 6.132 -2.846 -4.711 29 1HB SER 4 HB2 SER 4 4.903 -4.453 -3.276 30 2HB SER 4 HB1 SER 4 6.171 -3.609 -2.388 31 HG SER 4 HG SER 4 4.398 -3.523 -1.101 32 H SER 5 HN SER 5 3.151 -1.539 -3.249 33 HA SER 5 HA SER 5 1.468 -2.629 -5.300 34 1HB SER 5 HB2 SER 5 0.837 -0.439 -3.317 35 2HB SER 5 HB1 SER 5 -0.325 -1.387 -4.242 36 HG SER 5 HG SER 5 1.267 -3.072 -2.946 37 H GLU 6 HN GLU 6 2.610 0.640 -4.524 38 HA GLU 6 HA GLU 6 1.383 1.990 -6.665 39 1HB GLU 6 HB2 GLU 6 2.413 3.040 -4.647 40 2HB GLU 6 HB1 GLU 6 3.995 2.646 -5.288 41 1HG GLU 6 HG2 GLU 6 3.654 4.106 -7.168 42 2HG GLU 6 HG1 GLU 6 1.999 4.433 -6.656 43 H LEU 7 HN LEU 7 4.547 0.510 -6.296 44 HA LEU 7 HA LEU 7 5.614 1.175 -8.805 45 1HB LEU 7 HB2 LEU 7 6.231 -0.945 -6.785 46 2HB LEU 7 HB1 LEU 7 7.024 -0.973 -8.348 47 HG LEU 7 HG LEU 7 7.898 1.314 -7.906 48 1HD1 LEU 7 HD11 LEU 7 7.782 2.271 -5.706 49 2HD1 LEU 7 HD12 LEU 7 6.854 0.895 -5.111 50 3HD1 LEU 7 HD13 LEU 7 6.143 1.993 -6.295 51 1HD2 LEU 7 HD21 LEU 7 9.009 0.096 -5.583 52 2HD2 LEU 7 HD22 LEU 7 9.708 0.257 -7.195 53 3HD2 LEU 7 HD23 LEU 7 8.718 -1.148 -6.799 54 H THR 8 HN THR 8 3.885 -1.802 -7.752 55 HA THR 8 HA THR 8 4.070 -3.032 -10.309 56 HB THR 8 HB THR 8 2.114 -4.449 -9.497 57 HG1 THR 8 HG1 THR 8 2.676 -3.364 -6.948 58 1HG2 THR 8 HG21 THR 8 4.285 -5.359 -9.312 59 2HG2 THR 8 HG22 THR 8 3.549 -5.563 -7.722 60 3HG2 THR 8 HG23 THR 8 4.714 -4.267 -7.995 61 H LEU 9 HN LEU 9 1.543 -1.068 -8.761 62 HA LEU 9 HA LEU 9 -0.401 -1.253 -10.773 63 1HB LEU 9 HB2 LEU 9 -0.863 -0.267 -8.597 64 2HB LEU 9 HB1 LEU 9 0.252 1.046 -8.926 65 HG LEU 9 HG LEU 9 -1.237 1.735 -10.821 66 1HD1 LEU 9 HD11 LEU 9 -3.305 0.792 -11.189 67 2HD1 LEU 9 HD12 LEU 9 -3.386 0.076 -9.579 68 3HD1 LEU 9 HD13 LEU 9 -2.331 -0.628 -10.805 69 1HD2 LEU 9 HD21 LEU 9 -1.403 3.037 -8.888 70 2HD2 LEU 9 HD22 LEU 9 -2.176 1.744 -7.971 71 3HD2 LEU 9 HD23 LEU 9 -3.069 2.579 -9.242 72 H GLN 10 HN GLN 10 2.270 1.054 -10.355 73 HA GLN 10 HA GLN 10 1.749 2.622 -12.638 74 1HB GLN 10 HB2 GLN 10 3.213 3.402 -10.870 75 2HB GLN 10 HB1 GLN 10 4.333 2.081 -11.168 76 1HG GLN 10 HG2 GLN 10 4.943 2.994 -13.294 77 2HG GLN 10 HG1 GLN 10 3.688 4.227 -13.174 78 1HE2 GLN 10 HE21 GLN 10 4.525 6.132 -12.785 79 2HE2 GLN 10 HE22 GLN 10 5.858 6.469 -11.743 80 H GLU 11 HN GLU 11 3.624 -0.329 -12.171 81 HA GLU 11 HA GLU 11 4.779 -0.421 -14.763 82 1HB GLU 11 HB2 GLU 11 4.242 -2.528 -12.672 83 2HB GLU 11 HB1 GLU 11 4.978 -2.924 -14.216 84 1HG GLU 11 HG2 GLU 11 6.090 -0.939 -12.248 85 2HG GLU 11 HG1 GLU 11 6.605 -2.619 -12.387 86 H LEU 12 HN LEU 12 1.858 -1.881 -13.369 87 HA LEU 12 HA LEU 12 1.012 -3.290 -15.653 88 1HB LEU 12 HB2 LEU 12 -0.703 -2.036 -13.504 89 2HB LEU 12 HB1 LEU 12 -1.209 -3.290 -14.618 90 HG LEU 12 HG LEU 12 0.942 -3.620 -12.524 91 1HD1 LEU 12 HD11 LEU 12 -1.024 -3.438 -11.297 92 2HD1 LEU 12 HD12 LEU 12 -0.860 -5.175 -11.554 93 3HD1 LEU 12 HD13 LEU 12 -1.988 -4.242 -12.537 94 1HD2 LEU 12 HD21 LEU 12 0.079 -6.104 -13.197 95 2HD2 LEU 12 HD22 LEU 12 1.510 -5.322 -13.871 96 3HD2 LEU 12 HD23 LEU 12 -0.019 -5.272 -14.749 97 H LEU 13 HN LEU 13 -0.210 -0.161 -14.421 98 HA LEU 13 HA LEU 13 -1.415 0.409 -17.010 99 1HB LEU 13 HB2 LEU 13 -1.383 2.037 -14.470 100 2HB LEU 13 HB1 LEU 13 -2.341 2.386 -15.898 101 HG LEU 13 HG LEU 13 -2.624 -0.098 -14.211 102 1HD1 LEU 13 HD11 LEU 13 -4.942 1.230 -13.894 103 2HD1 LEU 13 HD12 LEU 13 -3.827 2.590 -14.030 104 3HD1 LEU 13 HD13 LEU 13 -3.580 1.369 -12.782 105 1HD2 LEU 13 HD21 LEU 13 -3.733 -0.888 -15.969 106 2HD2 LEU 13 HD22 LEU 13 -3.604 0.652 -16.819 107 3HD2 LEU 13 HD23 LEU 13 -4.935 0.373 -15.695 108 H GLY 14 HN GLY 14 1.350 0.268 -17.186 109 1HA GLY 14 HA2 GLY 14 1.917 2.923 -18.207 110 2HA GLY 14 HA1 GLY 14 2.943 2.428 -16.872 111 H GLU 15 HN GLU 15 3.587 -0.131 -17.349 112 HA GLU 15 HA GLU 15 4.925 0.022 -19.966 113 1HB GLU 15 HB2 GLU 15 5.776 -1.082 -17.334 114 2HB GLU 15 HB1 GLU 15 6.406 -1.827 -18.797 115 1HG GLU 15 HG2 GLU 15 6.653 1.078 -18.039 116 2HG GLU 15 HG1 GLU 15 7.928 -0.137 -17.947 117 H GLU 16 HN GLU 16 3.229 -2.248 -17.815 118 HA GLU 16 HA GLU 16 3.374 -4.441 -19.624 119 1HB GLU 16 HB2 GLU 16 2.877 -4.608 -17.157 120 2HB GLU 16 HB1 GLU 16 1.268 -3.988 -17.502 121 1HG GLU 16 HG2 GLU 16 0.762 -5.905 -18.857 122 2HG GLU 16 HG1 GLU 16 2.414 -6.499 -18.700 123 H ARG 17 HN ARG 17 0.754 -2.156 -18.844 124 HA ARG 17 HA ARG 17 -0.472 -2.841 -21.428 125 1HB ARG 17 HB2 ARG 17 -1.778 -3.004 -19.150 126 2HB ARG 17 HB1 ARG 17 -1.917 -1.261 -19.326 127 1HG ARG 17 HG2 ARG 17 -2.953 -3.372 -21.210 128 2HG ARG 17 HG1 ARG 17 -3.898 -2.274 -20.205 129 1HD ARG 17 HD2 ARG 17 -3.044 -0.372 -21.495 130 2HD ARG 17 HD1 ARG 17 -2.103 -1.472 -22.496 131 HE ARG 17 HE ARG 17 -4.867 -2.125 -22.532 132 1HH1 ARG 17 HH11 ARG 17 -2.456 0.007 -23.880 133 2HH1 ARG 17 HH12 ARG 17 -3.444 0.389 -25.257 134 1HH2 ARG 17 HH21 ARG 17 -6.099 -1.622 -24.337 135 2HH2 ARG 17 HH22 ARG 17 -5.475 -0.528 -25.517 136 H ARG 18 HN ARG 18 1.324 -1.459 -22.272 137 HA ARG 18 HA ARG 18 1.439 1.319 -21.818 138 1HB ARG 18 HB2 ARG 18 2.287 -0.406 -24.133 139 2HB ARG 18 HB1 ARG 18 2.483 1.340 -24.174 140 1HG ARG 18 HG2 ARG 18 3.899 1.237 -22.193 141 2HG ARG 18 HG1 ARG 18 3.684 -0.514 -22.127 142 1HD ARG 18 HD2 ARG 18 4.786 -0.781 -24.251 143 2HD ARG 18 HD1 ARG 18 4.875 0.966 -24.469 144 HE ARG 18 HE ARG 18 6.198 0.406 -22.088 145 1HH1 ARG 18 HH11 ARG 18 6.543 -0.352 -25.458 146 2HH1 ARG 18 HH12 ARG 18 8.257 -0.531 -25.363 147 1HH2 ARG 18 HH21 ARG 18 8.404 0.153 -21.944 148 2HH2 ARG 18 HH22 ARG 18 9.313 -0.238 -23.379 Start of MODEL 4 1 1H ILE 1 HT1 ILE 1 9.703 2.771 2.837 2 2H ILE 1 HT2 ILE 1 9.812 4.458 2.764 3 3H ILE 1 HT3 ILE 1 9.941 3.541 1.347 4 HA ILE 1 HA ILE 1 7.508 3.189 2.899 5 HB ILE 1 HB ILE 1 7.962 5.653 1.208 6 1HG1 ILE 1 HG12 ILE 1 7.527 5.427 4.195 7 2HG1 ILE 1 HG11 ILE 1 9.065 5.794 3.420 8 1HG2 ILE 1 HG21 ILE 1 5.626 4.320 1.559 9 2HG2 ILE 1 HG22 ILE 1 5.752 6.051 1.245 10 3HG2 ILE 1 HG23 ILE 1 5.573 5.465 2.899 11 1HD1 ILE 1 HD11 ILE 1 6.763 7.518 3.957 12 2HD1 ILE 1 HD12 ILE 1 7.479 7.713 2.358 13 3HD1 ILE 1 HD13 ILE 1 8.474 7.915 3.800 14 HA PRO 2 HA PRO 2 6.921 1.022 -0.948 15 1HB PRO 2 HB2 PRO 2 4.377 0.180 -0.522 16 2HB PRO 2 HB1 PRO 2 5.780 -0.557 0.258 17 1HG PRO 2 HG2 PRO 2 3.798 1.379 1.355 18 2HG PRO 2 HG1 PRO 2 4.604 0.020 2.155 19 1HD PRO 2 HD2 PRO 2 5.340 2.657 2.440 20 2HD PRO 2 HD1 PRO 2 6.425 1.283 2.711 21 H GLU 3 HN GLU 3 6.428 1.790 -2.890 22 HA GLU 3 HA GLU 3 5.122 4.220 -3.319 23 1HB GLU 3 HB2 GLU 3 5.567 1.990 -5.303 24 2HB GLU 3 HB1 GLU 3 5.224 3.668 -5.698 25 1HG GLU 3 HG2 GLU 3 7.664 2.705 -4.225 26 2HG GLU 3 HG1 GLU 3 7.596 3.082 -5.946 27 H SER 4 HN SER 4 3.939 0.934 -3.471 28 HA SER 4 HA SER 4 1.894 -0.007 -3.711 29 1HB SER 4 HB2 SER 4 0.027 1.058 -2.507 30 2HB SER 4 HB1 SER 4 1.508 1.068 -1.556 31 HG SER 4 HG SER 4 1.717 3.309 -2.613 32 H SER 5 HN SER 5 0.456 3.176 -4.071 33 HA SER 5 HA SER 5 -0.999 2.490 -6.386 34 1HB SER 5 HB2 SER 5 -1.922 4.241 -5.228 35 2HB SER 5 HB1 SER 5 -0.368 5.011 -4.935 36 HG SER 5 HG SER 5 -0.541 6.091 -6.748 37 H GLU 6 HN GLU 6 1.831 4.617 -6.044 38 HA GLU 6 HA GLU 6 2.156 5.092 -8.799 39 1HB GLU 6 HB2 GLU 6 4.065 5.281 -6.470 40 2HB GLU 6 HB1 GLU 6 4.504 5.765 -8.101 41 1HG GLU 6 HG2 GLU 6 3.826 7.686 -6.767 42 2HG GLU 6 HG1 GLU 6 2.714 7.425 -8.108 43 H LEU 7 HN LEU 7 3.352 2.598 -6.670 44 HA LEU 7 HA LEU 7 5.185 1.395 -8.476 45 1HB LEU 7 HB2 LEU 7 5.126 1.014 -6.004 46 2HB LEU 7 HB1 LEU 7 3.661 0.084 -6.225 47 HG LEU 7 HG LEU 7 4.911 -1.524 -7.628 48 1HD1 LEU 7 HD11 LEU 7 6.904 0.533 -7.517 49 2HD1 LEU 7 HD12 LEU 7 6.859 -0.928 -8.504 50 3HD1 LEU 7 HD13 LEU 7 7.561 -0.978 -6.887 51 1HD2 LEU 7 HD21 LEU 7 6.230 -1.125 -4.951 52 2HD2 LEU 7 HD22 LEU 7 6.006 -2.638 -5.829 53 3HD2 LEU 7 HD23 LEU 7 4.611 -1.794 -5.157 54 H THR 8 HN THR 8 1.805 0.655 -7.568 55 HA THR 8 HA THR 8 1.533 -1.516 -9.376 56 HB THR 8 HB THR 8 -0.970 -1.046 -9.176 57 HG1 THR 8 HG1 THR 8 -0.122 0.708 -7.101 58 1HG2 THR 8 HG21 THR 8 0.203 -2.715 -7.824 59 2HG2 THR 8 HG22 THR 8 -1.060 -1.910 -6.893 60 3HG2 THR 8 HG23 THR 8 0.630 -1.468 -6.652 61 H LEU 9 HN LEU 9 0.941 1.949 -9.744 62 HA LEU 9 HA LEU 9 -0.345 1.891 -12.238 63 1HB LEU 9 HB2 LEU 9 -0.262 3.903 -10.925 64 2HB LEU 9 HB1 LEU 9 1.489 3.943 -11.007 65 HG LEU 9 HG LEU 9 1.276 4.273 -13.492 66 1HD1 LEU 9 HD11 LEU 9 -1.522 3.932 -12.811 67 2HD1 LEU 9 HD12 LEU 9 -0.722 3.870 -14.381 68 3HD1 LEU 9 HD13 LEU 9 -1.225 5.421 -13.708 69 1HD2 LEU 9 HD21 LEU 9 0.784 6.132 -11.340 70 2HD2 LEU 9 HD22 LEU 9 0.007 6.660 -12.833 71 3HD2 LEU 9 HD23 LEU 9 1.741 6.335 -12.807 72 H GLN 10 HN GLN 10 3.126 2.138 -11.465 73 HA GLN 10 HA GLN 10 4.027 2.223 -14.150 74 1HB GLN 10 HB2 GLN 10 5.347 2.927 -12.142 75 2HB GLN 10 HB1 GLN 10 5.535 1.232 -11.725 76 1HG GLN 10 HG2 GLN 10 7.531 1.853 -12.787 77 2HG GLN 10 HG1 GLN 10 6.628 0.928 -13.984 78 1HE2 GLN 10 HE21 GLN 10 6.837 1.763 -15.936 79 2HE2 GLN 10 HE22 GLN 10 6.918 3.443 -16.324 80 H GLU 11 HN GLU 11 3.457 -0.438 -11.880 81 HA GLU 11 HA GLU 11 4.593 -2.503 -13.456 82 1HB GLU 11 HB2 GLU 11 2.491 -2.549 -11.295 83 2HB GLU 11 HB1 GLU 11 3.078 -4.010 -12.075 84 1HG GLU 11 HG2 GLU 11 5.352 -3.478 -11.312 85 2HG GLU 11 HG1 GLU 11 4.721 -2.053 -10.486 86 H LEU 12 HN LEU 12 1.187 -1.498 -13.059 87 HA LEU 12 HA LEU 12 0.065 -3.300 -14.885 88 1HB LEU 12 HB2 LEU 12 -0.830 -0.492 -14.215 89 2HB LEU 12 HB1 LEU 12 -1.807 -1.689 -15.043 90 HG LEU 12 HG LEU 12 -0.763 -2.004 -12.229 91 1HD1 LEU 12 HD11 LEU 12 -3.154 -1.627 -11.605 92 2HD1 LEU 12 HD12 LEU 12 -3.438 -1.083 -13.258 93 3HD1 LEU 12 HD13 LEU 12 -2.319 -0.199 -12.218 94 1HD2 LEU 12 HD21 LEU 12 -3.083 -3.553 -13.011 95 2HD2 LEU 12 HD22 LEU 12 -1.572 -4.079 -12.268 96 3HD2 LEU 12 HD23 LEU 12 -1.681 -3.910 -14.020 97 H LEU 13 HN LEU 13 0.953 0.120 -15.413 98 HA LEU 13 HA LEU 13 0.792 -0.249 -18.290 99 1HB LEU 13 HB2 LEU 13 1.401 2.131 -16.551 100 2HB LEU 13 HB1 LEU 13 1.579 2.183 -18.294 101 HG LEU 13 HG LEU 13 -0.879 1.414 -18.365 102 1HD1 LEU 13 HD11 LEU 13 -0.522 2.043 -15.487 103 2HD1 LEU 13 HD12 LEU 13 -1.544 0.836 -16.267 104 3HD1 LEU 13 HD13 LEU 13 -2.027 2.532 -16.265 105 1HD2 LEU 13 HD21 LEU 13 -0.503 4.177 -17.272 106 2HD2 LEU 13 HD22 LEU 13 -1.582 3.623 -18.552 107 3HD2 LEU 13 HD23 LEU 13 0.154 3.722 -18.844 108 H GLY 14 HN GLY 14 2.647 -1.911 -17.178 109 1HA GLY 14 HA2 GLY 14 5.097 -0.931 -18.455 110 2HA GLY 14 HA1 GLY 14 5.206 -1.475 -16.787 111 H GLU 15 HN GLU 15 3.907 -3.755 -16.572 112 HA GLU 15 HA GLU 15 5.078 -5.429 -18.702 113 1HB GLU 15 HB2 GLU 15 6.113 -5.766 -16.493 114 2HB GLU 15 HB1 GLU 15 4.545 -6.230 -15.841 115 1HG GLU 15 HG2 GLU 15 4.463 -8.185 -17.157 116 2HG GLU 15 HG1 GLU 15 5.817 -7.659 -18.152 117 H GLU 16 HN GLU 16 2.220 -5.131 -16.592 118 HA GLU 16 HA GLU 16 0.820 -7.331 -17.682 119 1HB GLU 16 HB2 GLU 16 0.309 -5.979 -15.554 120 2HB GLU 16 HB1 GLU 16 -0.484 -4.828 -16.614 121 1HG GLU 16 HG2 GLU 16 -1.237 -7.733 -16.536 122 2HG GLU 16 HG1 GLU 16 -1.952 -6.534 -15.462 123 H ARG 17 HN ARG 17 0.522 -3.844 -18.359 124 HA ARG 17 HA ARG 17 -1.092 -4.243 -20.706 125 1HB ARG 17 HB2 ARG 17 -1.381 -2.203 -19.468 126 2HB ARG 17 HB1 ARG 17 0.333 -1.830 -19.577 127 1HG ARG 17 HG2 ARG 17 -0.146 -1.872 -22.157 128 2HG ARG 17 HG1 ARG 17 -1.801 -1.563 -21.630 129 1HD ARG 17 HD2 ARG 17 -1.003 0.383 -20.349 130 2HD ARG 17 HD1 ARG 17 0.630 0.085 -20.942 131 HE ARG 17 HE ARG 17 -1.496 1.368 -22.336 132 1HH1 ARG 17 HH11 ARG 17 1.426 -0.501 -22.806 133 2HH1 ARG 17 HH12 ARG 17 1.590 0.026 -24.448 134 1HH2 ARG 17 HH21 ARG 17 -1.229 2.020 -24.450 135 2HH2 ARG 17 HH22 ARG 17 0.114 1.439 -25.367 136 H ARG 18 HN ARG 18 2.299 -3.646 -20.028 137 HA ARG 18 HA ARG 18 4.198 -3.867 -21.258 138 1HB ARG 18 HB2 ARG 18 2.332 -4.987 -23.357 139 2HB ARG 18 HB1 ARG 18 4.076 -4.899 -23.549 140 1HG ARG 18 HG2 ARG 18 2.899 -6.300 -21.190 141 2HG ARG 18 HG1 ARG 18 2.972 -7.103 -22.754 142 1HD ARG 18 HD2 ARG 18 4.910 -7.705 -21.462 143 2HD ARG 18 HD1 ARG 18 5.407 -6.693 -22.815 144 HE ARG 18 HE ARG 18 5.019 -5.010 -20.647 145 1HH1 ARG 18 HH11 ARG 18 7.078 -7.649 -21.493 146 2HH1 ARG 18 HH12 ARG 18 8.388 -7.099 -20.513 147 1HH2 ARG 18 HH21 ARG 18 6.704 -4.283 -19.385 148 2HH2 ARG 18 HH22 ARG 18 8.183 -5.195 -19.324 Start of MODEL 5 1 1H ILE 1 HT1 ILE 1 5.658 12.659 -2.019 2 2H ILE 1 HT2 ILE 1 4.127 12.680 -2.739 3 3H ILE 1 HT3 ILE 1 5.408 11.875 -3.498 4 HA ILE 1 HA ILE 1 4.836 10.987 -0.805 5 HB ILE 1 HB ILE 1 2.939 10.287 -3.050 6 1HG1 ILE 1 HG12 ILE 1 2.420 11.972 -0.592 7 2HG1 ILE 1 HG11 ILE 1 2.591 12.600 -2.227 8 1HG2 ILE 1 HG21 ILE 1 3.154 9.424 -0.185 9 2HG2 ILE 1 HG22 ILE 1 3.086 8.425 -1.636 10 3HG2 ILE 1 HG23 ILE 1 1.646 9.283 -1.089 11 1HD1 ILE 1 HD11 ILE 1 0.248 12.395 -1.445 12 2HD1 ILE 1 HD12 ILE 1 0.466 10.646 -1.387 13 3HD1 ILE 1 HD13 ILE 1 0.591 11.499 -2.925 14 HA PRO 2 HA PRO 2 7.585 7.963 -2.608 15 1HB PRO 2 HB2 PRO 2 7.641 6.202 -0.557 16 2HB PRO 2 HB1 PRO 2 8.471 7.761 -0.497 17 1HG PRO 2 HG2 PRO 2 5.844 6.964 0.690 18 2HG PRO 2 HG1 PRO 2 7.137 7.953 1.393 19 1HD PRO 2 HD2 PRO 2 4.876 9.001 0.282 20 2HD PRO 2 HD1 PRO 2 6.428 9.856 0.317 21 H GLU 3 HN GLU 3 5.255 7.736 -3.860 22 HA GLU 3 HA GLU 3 3.816 5.320 -3.384 23 1HB GLU 3 HB2 GLU 3 3.938 7.195 -5.746 24 2HB GLU 3 HB1 GLU 3 2.842 5.822 -5.652 25 1HG GLU 3 HG2 GLU 3 1.562 6.778 -3.995 26 2HG GLU 3 HG1 GLU 3 2.866 7.831 -3.450 27 H SER 4 HN SER 4 6.371 4.445 -3.384 28 HA SER 4 HA SER 4 7.369 3.579 -5.897 29 1HB SER 4 HB2 SER 4 8.809 2.062 -4.577 30 2HB SER 4 HB1 SER 4 8.818 3.703 -3.934 31 HG SER 4 HG SER 4 8.525 1.822 -2.425 32 H SER 5 HN SER 5 5.419 1.946 -3.422 33 HA SER 5 HA SER 5 5.221 -0.555 -4.694 34 1HB SER 5 HB2 SER 5 4.562 -0.290 -2.383 35 2HB SER 5 HB1 SER 5 3.296 0.849 -2.831 36 HG SER 5 HG SER 5 2.035 -0.774 -3.238 37 H GLU 6 HN GLU 6 3.074 2.269 -4.763 38 HA GLU 6 HA GLU 6 1.133 1.290 -6.515 39 1HB GLU 6 HB2 GLU 6 2.168 4.105 -6.114 40 2HB GLU 6 HB1 GLU 6 0.749 3.718 -7.074 41 1HG GLU 6 HG2 GLU 6 0.168 4.508 -4.836 42 2HG GLU 6 HG1 GLU 6 -0.388 2.862 -5.120 43 H LEU 7 HN LEU 7 4.205 2.927 -7.156 44 HA LEU 7 HA LEU 7 3.949 3.083 -9.959 45 1HB LEU 7 HB2 LEU 7 6.025 3.542 -7.979 46 2HB LEU 7 HB1 LEU 7 6.669 2.859 -9.458 47 HG LEU 7 HG LEU 7 6.778 5.299 -9.480 48 1HD1 LEU 7 HD11 LEU 7 5.006 5.443 -11.553 49 2HD1 LEU 7 HD12 LEU 7 5.317 3.710 -11.446 50 3HD1 LEU 7 HD13 LEU 7 6.659 4.835 -11.661 51 1HD2 LEU 7 HD21 LEU 7 4.689 6.614 -9.629 52 2HD2 LEU 7 HD22 LEU 7 4.907 5.841 -8.059 53 3HD2 LEU 7 HD23 LEU 7 3.777 5.158 -9.228 54 H THR 8 HN THR 8 5.363 0.534 -7.860 55 HA THR 8 HA THR 8 6.432 -0.999 -9.980 56 HB THR 8 HB THR 8 6.431 -2.920 -8.462 57 HG1 THR 8 HG1 THR 8 4.691 -1.286 -6.962 58 1HG2 THR 8 HG21 THR 8 7.758 -1.866 -6.605 59 2HG2 THR 8 HG22 THR 8 7.323 -0.298 -7.287 60 3HG2 THR 8 HG23 THR 8 8.275 -1.440 -8.237 61 H LEU 9 HN LEU 9 3.258 -1.193 -8.385 62 HA LEU 9 HA LEU 9 2.263 -3.372 -9.902 63 1HB LEU 9 HB2 LEU 9 0.505 -1.178 -8.864 64 2HB LEU 9 HB1 LEU 9 0.190 -2.903 -8.937 65 HG LEU 9 HG LEU 9 2.239 -1.681 -7.110 66 1HD1 LEU 9 HD11 LEU 9 -0.123 -0.875 -6.704 67 2HD1 LEU 9 HD12 LEU 9 0.655 -1.697 -5.350 68 3HD1 LEU 9 HD13 LEU 9 -0.537 -2.549 -6.331 69 1HD2 LEU 9 HD21 LEU 9 2.418 -4.108 -7.718 70 2HD2 LEU 9 HD22 LEU 9 0.849 -4.350 -6.950 71 3HD2 LEU 9 HD23 LEU 9 2.220 -3.787 -5.995 72 H GLN 10 HN GLN 10 1.977 0.130 -10.217 73 HA GLN 10 HA GLN 10 0.358 0.264 -12.490 74 1HB GLN 10 HB2 GLN 10 0.811 2.178 -11.075 75 2HB GLN 10 HB1 GLN 10 2.520 2.113 -11.471 76 1HG GLN 10 HG2 GLN 10 1.967 2.668 -13.806 77 2HG GLN 10 HG1 GLN 10 0.270 2.800 -13.347 78 1HE2 GLN 10 HE21 GLN 10 2.041 3.817 -10.765 79 2HE2 GLN 10 HE22 GLN 10 2.055 5.515 -11.086 80 H GLU 11 HN GLU 11 3.881 0.012 -12.158 81 HA GLU 11 HA GLU 11 4.514 0.297 -14.915 82 1HB GLU 11 HB2 GLU 11 6.069 0.390 -12.859 83 2HB GLU 11 HB1 GLU 11 6.117 -1.360 -12.975 84 1HG GLU 11 HG2 GLU 11 8.013 -0.687 -14.117 85 2HG GLU 11 HG1 GLU 11 6.845 -0.975 -15.405 86 H LEU 12 HN LEU 12 4.044 -2.573 -12.862 87 HA LEU 12 HA LEU 12 4.457 -4.520 -14.856 88 1HB LEU 12 HB2 LEU 12 2.713 -4.662 -12.394 89 2HB LEU 12 HB1 LEU 12 3.211 -6.038 -13.358 90 HG LEU 12 HG LEU 12 5.076 -4.232 -11.823 91 1HD1 LEU 12 HD11 LEU 12 3.395 -6.216 -10.849 92 2HD1 LEU 12 HD12 LEU 12 4.805 -5.532 -10.041 93 3HD1 LEU 12 HD13 LEU 12 4.967 -7.001 -11.004 94 1HD2 LEU 12 HD21 LEU 12 6.222 -6.734 -12.483 95 2HD2 LEU 12 HD22 LEU 12 6.708 -5.129 -13.030 96 3HD2 LEU 12 HD23 LEU 12 5.531 -6.058 -13.959 97 H LEU 13 HN LEU 13 1.423 -3.081 -13.627 98 HA LEU 13 HA LEU 13 -0.321 -4.466 -15.333 99 1HB LEU 13 HB2 LEU 13 -0.582 -1.707 -14.139 100 2HB LEU 13 HB1 LEU 13 -1.886 -2.553 -14.949 101 HG LEU 13 HG LEU 13 -0.499 -3.483 -12.432 102 1HD1 LEU 13 HD11 LEU 13 -1.826 -1.987 -11.446 103 2HD1 LEU 13 HD12 LEU 13 -3.152 -3.072 -11.864 104 3HD1 LEU 13 HD13 LEU 13 -2.759 -1.713 -12.917 105 1HD2 LEU 13 HD21 LEU 13 -2.956 -4.598 -13.773 106 2HD2 LEU 13 HD22 LEU 13 -2.133 -5.229 -12.346 107 3HD2 LEU 13 HD23 LEU 13 -1.342 -5.294 -13.921 108 H GLY 14 HN GLY 14 1.324 -1.356 -15.783 109 1HA GLY 14 HA2 GLY 14 0.215 -0.679 -18.274 110 2HA GLY 14 HA1 GLY 14 1.763 -0.115 -17.661 111 H GLU 15 HN GLU 15 3.299 -2.334 -17.524 112 HA GLU 15 HA GLU 15 4.001 -2.790 -20.224 113 1HB GLU 15 HB2 GLU 15 4.881 -3.955 -17.613 114 2HB GLU 15 HB1 GLU 15 5.414 -4.694 -19.118 115 1HG GLU 15 HG2 GLU 15 5.809 -1.798 -18.395 116 2HG GLU 15 HG1 GLU 15 7.022 -3.063 -18.202 117 H GLU 16 HN GLU 16 2.149 -4.747 -17.920 118 HA GLU 16 HA GLU 16 1.971 -7.040 -19.592 119 1HB GLU 16 HB2 GLU 16 0.710 -6.115 -17.089 120 2HB GLU 16 HB1 GLU 16 -0.258 -7.226 -18.045 121 1HG GLU 16 HG2 GLU 16 0.996 -8.456 -16.414 122 2HG GLU 16 HG1 GLU 16 1.602 -8.837 -18.022 123 H ARG 17 HN ARG 17 -0.048 -4.143 -19.220 124 HA ARG 17 HA ARG 17 -2.104 -5.134 -20.987 125 1HB ARG 17 HB2 ARG 17 -1.571 -2.394 -19.844 126 2HB ARG 17 HB1 ARG 17 -2.944 -2.762 -20.877 127 1HG ARG 17 HG2 ARG 17 -2.365 -4.045 -18.216 128 2HG ARG 17 HG1 ARG 17 -3.545 -2.767 -18.511 129 1HD ARG 17 HD2 ARG 17 -4.740 -4.253 -20.058 130 2HD ARG 17 HD1 ARG 17 -3.576 -5.532 -19.713 131 HE ARG 17 HE ARG 17 -4.651 -4.689 -17.289 132 1HH1 ARG 17 HH11 ARG 17 -5.682 -6.244 -20.189 133 2HH1 ARG 17 HH12 ARG 17 -6.952 -7.119 -19.415 134 1HH2 ARG 17 HH21 ARG 17 -6.297 -5.829 -16.273 135 2HH2 ARG 17 HH22 ARG 17 -7.299 -6.885 -17.200 136 H ARG 18 HN ARG 18 -0.023 -2.249 -21.313 137 HA ARG 18 HA ARG 18 0.768 -1.121 -23.112 138 1HB ARG 18 HB2 ARG 18 1.181 -3.971 -23.972 139 2HB ARG 18 HB1 ARG 18 1.709 -2.621 -24.966 140 1HG ARG 18 HG2 ARG 18 3.172 -1.841 -23.213 141 2HG ARG 18 HG1 ARG 18 2.573 -3.090 -22.118 142 1HD ARG 18 HD2 ARG 18 3.442 -4.816 -23.608 143 2HD ARG 18 HD1 ARG 18 4.022 -3.578 -24.716 144 HE ARG 18 HE ARG 18 5.215 -3.029 -22.264 145 1HH1 ARG 18 HH11 ARG 18 5.103 -5.674 -24.498 146 2HH1 ARG 18 HH12 ARG 18 6.708 -6.201 -24.151 147 1HH2 ARG 18 HH21 ARG 18 7.324 -3.707 -21.806 148 2HH2 ARG 18 HH22 ARG 18 7.959 -5.097 -22.641 Start of MODEL 6 1 1H ILE 1 HT1 ILE 1 3.487 3.358 3.604 2 2H ILE 1 HT2 ILE 1 4.101 2.441 4.888 3 3H ILE 1 HT3 ILE 1 2.566 2.100 4.262 4 HA ILE 1 HA ILE 1 4.900 0.888 3.560 5 HB ILE 1 HB ILE 1 3.555 -0.142 1.740 6 1HG1 ILE 1 HG12 ILE 1 1.394 1.777 2.648 7 2HG1 ILE 1 HG11 ILE 1 2.272 1.898 1.127 8 1HG2 ILE 1 HG21 ILE 1 2.480 0.098 4.521 9 2HG2 ILE 1 HG22 ILE 1 3.339 -1.244 3.766 10 3HG2 ILE 1 HG23 ILE 1 1.665 -0.911 3.327 11 1HD1 ILE 1 HD11 ILE 1 0.989 -0.693 1.601 12 2HD1 ILE 1 HD12 ILE 1 1.034 0.310 0.151 13 3HD1 ILE 1 HD13 ILE 1 -0.116 0.672 1.438 14 HA PRO 2 HA PRO 2 6.831 3.311 0.415 15 1HB PRO 2 HB2 PRO 2 8.047 1.368 -1.054 16 2HB PRO 2 HB1 PRO 2 8.631 1.896 0.527 17 1HG PRO 2 HG2 PRO 2 6.994 -0.503 -0.185 18 2HG PRO 2 HG1 PRO 2 8.346 -0.367 0.955 19 1HD PRO 2 HD2 PRO 2 5.753 -0.407 1.748 20 2HD PRO 2 HD1 PRO 2 7.011 0.482 2.628 21 H GLU 3 HN GLU 3 5.726 4.293 -1.145 22 HA GLU 3 HA GLU 3 3.657 3.155 -2.665 23 1HB GLU 3 HB2 GLU 3 5.277 5.622 -3.304 24 2HB GLU 3 HB1 GLU 3 3.690 5.226 -3.948 25 1HG GLU 3 HG2 GLU 3 2.722 5.403 -1.733 26 2HG GLU 3 HG1 GLU 3 4.313 5.739 -1.051 27 H SER 4 HN SER 4 7.015 2.937 -3.081 28 HA SER 4 HA SER 4 7.446 2.885 -5.800 29 1HB SER 4 HB2 SER 4 9.295 1.272 -5.297 30 2HB SER 4 HB1 SER 4 9.288 2.694 -4.254 31 HG SER 4 HG SER 4 8.705 0.030 -3.648 32 H SER 5 HN SER 5 5.986 0.382 -3.785 33 HA SER 5 HA SER 5 6.031 -1.683 -5.728 34 1HB SER 5 HB2 SER 5 4.119 -1.264 -3.425 35 2HB SER 5 HB1 SER 5 4.311 -2.755 -4.344 36 HG SER 5 HG SER 5 5.520 -2.749 -2.384 37 H GLU 6 HN GLU 6 3.382 0.482 -4.686 38 HA GLU 6 HA GLU 6 1.524 -0.328 -6.633 39 1HB GLU 6 HB2 GLU 6 1.786 2.403 -5.355 40 2HB GLU 6 HB1 GLU 6 0.356 1.769 -6.150 41 1HG GLU 6 HG2 GLU 6 -0.203 1.401 -3.980 42 2HG GLU 6 HG1 GLU 6 0.594 -0.128 -4.345 43 H LEU 7 HN LEU 7 3.919 2.278 -6.641 44 HA LEU 7 HA LEU 7 3.257 3.416 -9.116 45 1HB LEU 7 HB2 LEU 7 5.913 3.282 -7.694 46 2HB LEU 7 HB1 LEU 7 5.600 4.279 -9.102 47 HG LEU 7 HG LEU 7 4.226 4.547 -6.426 48 1HD1 LEU 7 HD11 LEU 7 5.648 6.868 -7.195 49 2HD1 LEU 7 HD12 LEU 7 6.740 5.492 -7.357 50 3HD1 LEU 7 HD13 LEU 7 5.941 5.808 -5.817 51 1HD2 LEU 7 HD21 LEU 7 2.783 5.986 -7.342 52 2HD2 LEU 7 HD22 LEU 7 3.243 5.269 -8.886 53 3HD2 LEU 7 HD23 LEU 7 4.031 6.746 -8.330 54 H THR 8 HN THR 8 5.589 0.804 -8.342 55 HA THR 8 HA THR 8 6.415 0.517 -11.068 56 HB THR 8 HB THR 8 7.308 -1.730 -10.305 57 HG1 THR 8 HG1 THR 8 6.761 -0.785 -7.688 58 1HG2 THR 8 HG21 THR 8 8.906 -0.486 -8.584 59 2HG2 THR 8 HG22 THR 8 8.105 0.931 -9.262 60 3HG2 THR 8 HG23 THR 8 8.978 -0.179 -10.319 61 H LEU 9 HN LEU 9 4.136 -1.290 -9.016 62 HA LEU 9 HA LEU 9 3.385 -3.232 -10.894 63 1HB LEU 9 HB2 LEU 9 2.790 -3.415 -8.559 64 2HB LEU 9 HB1 LEU 9 1.811 -1.964 -8.654 65 HG LEU 9 HG LEU 9 0.343 -3.193 -10.302 66 1HD1 LEU 9 HD11 LEU 9 1.100 -5.804 -9.297 67 2HD1 LEU 9 HD12 LEU 9 2.385 -5.057 -10.246 68 3HD1 LEU 9 HD13 LEU 9 0.783 -5.276 -10.949 69 1HD2 LEU 9 HD21 LEU 9 -0.907 -4.307 -8.583 70 2HD2 LEU 9 HD22 LEU 9 -0.201 -2.841 -7.904 71 3HD2 LEU 9 HD23 LEU 9 0.519 -4.412 -7.551 72 H GLN 10 HN GLN 10 1.942 -0.052 -10.205 73 HA GLN 10 HA GLN 10 -0.156 -0.186 -12.073 74 1HB GLN 10 HB2 GLN 10 -0.029 1.455 -10.248 75 2HB GLN 10 HB1 GLN 10 1.331 2.234 -11.040 76 1HG GLN 10 HG2 GLN 10 -0.103 2.829 -12.922 77 2HG GLN 10 HG1 GLN 10 -1.467 2.042 -12.129 78 1HE2 GLN 10 HE21 GLN 10 0.335 3.340 -9.726 79 2HE2 GLN 10 HE22 GLN 10 -0.454 4.868 -9.563 80 H GLU 11 HN GLU 11 3.173 0.983 -12.386 81 HA GLU 11 HA GLU 11 2.916 2.007 -15.018 82 1HB GLU 11 HB2 GLU 11 4.783 2.427 -13.298 83 2HB GLU 11 HB1 GLU 11 5.462 0.901 -13.842 84 1HG GLU 11 HG2 GLU 11 6.594 2.613 -15.004 85 2HG GLU 11 HG1 GLU 11 5.504 1.850 -16.160 86 H LEU 12 HN LEU 12 4.120 -1.117 -13.777 87 HA LEU 12 HA LEU 12 4.698 -2.271 -16.284 88 1HB LEU 12 HB2 LEU 12 3.837 -3.633 -13.728 89 2HB LEU 12 HB1 LEU 12 4.558 -4.436 -15.109 90 HG LEU 12 HG LEU 12 5.921 -2.339 -13.422 91 1HD1 LEU 12 HD11 LEU 12 5.425 -4.649 -12.405 92 2HD1 LEU 12 HD12 LEU 12 7.076 -4.034 -12.332 93 3HD1 LEU 12 HD13 LEU 12 6.638 -5.243 -13.539 94 1HD2 LEU 12 HD21 LEU 12 6.668 -3.806 -15.898 95 2HD2 LEU 12 HD22 LEU 12 7.922 -3.488 -14.700 96 3HD2 LEU 12 HD23 LEU 12 7.024 -2.148 -15.415 97 H LEU 13 HN LEU 13 1.781 -2.536 -14.241 98 HA LEU 13 HA LEU 13 0.359 -3.870 -16.398 99 1HB LEU 13 HB2 LEU 13 -0.279 -3.230 -13.552 100 2HB LEU 13 HB1 LEU 13 -1.583 -3.603 -14.664 101 HG LEU 13 HG LEU 13 -0.338 -5.739 -15.207 102 1HD1 LEU 13 HD11 LEU 13 1.525 -6.368 -14.137 103 2HD1 LEU 13 HD12 LEU 13 0.998 -5.685 -12.599 104 3HD1 LEU 13 HD13 LEU 13 1.716 -4.643 -13.827 105 1HD2 LEU 13 HD21 LEU 13 -1.912 -5.042 -12.866 106 2HD2 LEU 13 HD22 LEU 13 -0.923 -6.482 -12.620 107 3HD2 LEU 13 HD23 LEU 13 -2.063 -6.413 -13.965 108 H GLY 14 HN GLY 14 1.240 -1.345 -17.051 109 1HA GLY 14 HA2 GLY 14 -1.297 -0.077 -17.736 110 2HA GLY 14 HA1 GLY 14 -0.141 0.909 -16.851 111 H GLU 15 HN GLU 15 2.237 0.516 -17.904 112 HA GLU 15 HA GLU 15 2.120 1.775 -20.448 113 1HB GLU 15 HB2 GLU 15 3.978 2.087 -18.848 114 2HB GLU 15 HB1 GLU 15 4.470 0.420 -19.111 115 1HG GLU 15 HG2 GLU 15 4.907 0.922 -21.464 116 2HG GLU 15 HG1 GLU 15 4.424 2.595 -21.192 117 H GLU 16 HN GLU 16 2.724 -1.545 -19.436 118 HA GLU 16 HA GLU 16 3.361 -2.521 -22.043 119 1HB GLU 16 HB2 GLU 16 2.650 -3.856 -19.440 120 2HB GLU 16 HB1 GLU 16 2.914 -4.779 -20.912 121 1HG GLU 16 HG2 GLU 16 4.948 -2.877 -19.787 122 2HG GLU 16 HG1 GLU 16 4.877 -4.585 -19.353 123 H ARG 17 HN ARG 17 0.476 -1.469 -20.748 124 HA ARG 17 HA ARG 17 -1.036 -3.078 -22.692 125 1HB ARG 17 HB2 ARG 17 -1.853 -2.436 -19.859 126 2HB ARG 17 HB1 ARG 17 -2.952 -3.081 -21.072 127 1HG ARG 17 HG2 ARG 17 -1.718 -5.102 -21.238 128 2HG ARG 17 HG1 ARG 17 -0.401 -4.446 -20.266 129 1HD ARG 17 HD2 ARG 17 -1.981 -4.271 -18.355 130 2HD ARG 17 HD1 ARG 17 -3.200 -5.078 -19.342 131 HE ARG 17 HE ARG 17 -2.202 -7.049 -18.809 132 1HH1 ARG 17 HH11 ARG 17 0.182 -4.552 -18.512 133 2HH1 ARG 17 HH12 ARG 17 1.416 -5.627 -17.961 134 1HH2 ARG 17 HH21 ARG 17 -0.594 -8.445 -18.098 135 2HH2 ARG 17 HH22 ARG 17 0.975 -7.824 -17.725 136 H ARG 18 HN ARG 18 -0.055 -0.588 -23.307 137 HA ARG 18 HA ARG 18 -2.556 0.894 -23.638 138 1HB ARG 18 HB2 ARG 18 -1.276 3.063 -23.291 139 2HB ARG 18 HB1 ARG 18 -1.650 2.133 -21.851 140 1HG ARG 18 HG2 ARG 18 0.487 2.440 -21.316 141 2HG ARG 18 HG1 ARG 18 0.826 1.188 -22.507 142 1HD ARG 18 HD2 ARG 18 0.724 4.127 -23.160 143 2HD ARG 18 HD1 ARG 18 2.203 3.282 -22.708 144 HE ARG 18 HE ARG 18 0.951 1.914 -24.842 145 1HH1 ARG 18 HH11 ARG 18 2.717 4.830 -24.181 146 2HH1 ARG 18 HH12 ARG 18 3.293 4.979 -25.800 147 1HH2 ARG 18 HH21 ARG 18 1.675 2.124 -26.916 148 2HH2 ARG 18 HH22 ARG 18 2.693 3.452 -27.359 Start of MODEL 7 1 1H ILE 1 HT1 ILE 1 6.653 -1.842 4.132 2 2H ILE 1 HT2 ILE 1 5.677 -1.166 5.337 3 3H ILE 1 HT3 ILE 1 6.851 -0.218 4.570 4 HA ILE 1 HA ILE 1 4.663 -1.466 3.040 5 HB ILE 1 HB ILE 1 4.606 1.242 4.398 6 1HG1 ILE 1 HG12 ILE 1 2.334 0.224 5.201 7 2HG1 ILE 1 HG11 ILE 1 3.091 -1.316 4.816 8 1HG2 ILE 1 HG21 ILE 1 3.744 1.328 2.091 9 2HG2 ILE 1 HG22 ILE 1 2.496 1.640 3.296 10 3HG2 ILE 1 HG23 ILE 1 2.580 0.068 2.501 11 1HD1 ILE 1 HD11 ILE 1 3.736 0.635 6.963 12 2HD1 ILE 1 HD12 ILE 1 5.024 -0.382 6.317 13 3HD1 ILE 1 HD13 ILE 1 3.592 -1.121 7.034 14 HA PRO 2 HA PRO 2 7.281 0.462 -0.012 15 1HB PRO 2 HB2 PRO 2 6.033 -0.441 -2.214 16 2HB PRO 2 HB1 PRO 2 6.983 -1.504 -1.171 17 1HG PRO 2 HG2 PRO 2 4.030 -1.213 -1.395 18 2HG PRO 2 HG1 PRO 2 4.997 -2.661 -1.069 19 1HD PRO 2 HD2 PRO 2 3.646 -1.122 0.837 20 2HD PRO 2 HD1 PRO 2 4.912 -2.317 1.173 21 H GLU 3 HN GLU 3 7.092 2.660 -0.069 22 HA GLU 3 HA GLU 3 4.693 4.081 -0.480 23 1HB GLU 3 HB2 GLU 3 7.570 4.910 -0.822 24 2HB GLU 3 HB1 GLU 3 6.230 6.027 -1.012 25 1HG GLU 3 HG2 GLU 3 7.192 6.266 1.178 26 2HG GLU 3 HG1 GLU 3 5.566 5.602 1.315 27 H SER 4 HN SER 4 7.079 2.897 -2.747 28 HA SER 4 HA SER 4 6.042 4.332 -5.002 29 1HB SER 4 HB2 SER 4 7.558 2.958 -6.342 30 2HB SER 4 HB1 SER 4 8.390 3.585 -4.920 31 HG SER 4 HG SER 4 7.688 0.978 -5.576 32 H SER 5 HN SER 5 3.949 2.957 -3.691 33 HA SER 5 HA SER 5 3.306 0.536 -5.080 34 1HB SER 5 HB2 SER 5 1.635 2.420 -3.422 35 2HB SER 5 HB1 SER 5 0.998 0.941 -4.135 36 HG SER 5 HG SER 5 3.108 1.159 -2.227 37 H GLU 6 HN GLU 6 2.219 3.911 -5.352 38 HA GLU 6 HA GLU 6 0.457 3.509 -7.521 39 1HB GLU 6 HB2 GLU 6 2.001 5.979 -6.715 40 2HB GLU 6 HB1 GLU 6 0.683 5.953 -7.877 41 1HG GLU 6 HG2 GLU 6 -0.861 5.246 -6.153 42 2HG GLU 6 HG1 GLU 6 0.453 5.179 -4.979 43 H LEU 7 HN LEU 7 3.880 4.350 -7.350 44 HA LEU 7 HA LEU 7 4.335 4.790 -10.083 45 1HB LEU 7 HB2 LEU 7 6.237 3.756 -7.978 46 2HB LEU 7 HB1 LEU 7 6.709 4.368 -9.551 47 HG LEU 7 HG LEU 7 5.360 5.980 -7.382 48 1HD1 LEU 7 HD11 LEU 7 8.213 5.930 -8.352 49 2HD1 LEU 7 HD12 LEU 7 7.624 5.452 -6.760 50 3HD1 LEU 7 HD13 LEU 7 7.539 7.141 -7.261 51 1HD2 LEU 7 HD21 LEU 7 5.126 6.469 -9.999 52 2HD2 LEU 7 HD22 LEU 7 6.681 7.248 -9.706 53 3HD2 LEU 7 HD23 LEU 7 5.257 7.749 -8.793 54 H THR 8 HN THR 8 4.607 1.804 -8.130 55 HA THR 8 HA THR 8 5.466 0.230 -10.365 56 HB THR 8 HB THR 8 4.836 -1.739 -8.885 57 HG1 THR 8 HG1 THR 8 4.674 0.157 -6.793 58 1HG2 THR 8 HG21 THR 8 7.035 -0.055 -8.878 59 2HG2 THR 8 HG22 THR 8 6.948 -1.666 -8.165 60 3HG2 THR 8 HG23 THR 8 6.635 -0.243 -7.170 61 H LEU 9 HN LEU 9 2.335 0.711 -8.749 62 HA LEU 9 HA LEU 9 0.849 -1.132 -10.268 63 1HB LEU 9 HB2 LEU 9 -0.035 -0.192 -8.242 64 2HB LEU 9 HB1 LEU 9 0.031 1.429 -8.907 65 HG LEU 9 HG LEU 9 -1.658 0.645 -10.635 66 1HD1 LEU 9 HD11 LEU 9 -1.216 -1.792 -10.140 67 2HD1 LEU 9 HD12 LEU 9 -2.910 -1.314 -10.243 68 3HD1 LEU 9 HD13 LEU 9 -2.161 -1.570 -8.667 69 1HD2 LEU 9 HD21 LEU 9 -2.350 2.107 -8.896 70 2HD2 LEU 9 HD22 LEU 9 -2.344 0.802 -7.709 71 3HD2 LEU 9 HD23 LEU 9 -3.549 0.818 -8.997 72 H GLN 10 HN GLN 10 1.419 2.344 -10.775 73 HA GLN 10 HA GLN 10 -0.172 2.684 -13.054 74 1HB GLN 10 HB2 GLN 10 0.860 4.497 -11.675 75 2HB GLN 10 HB1 GLN 10 2.410 4.114 -12.406 76 1HG GLN 10 HG2 GLN 10 1.549 5.996 -13.542 77 2HG GLN 10 HG1 GLN 10 1.379 4.619 -14.631 78 1HE2 GLN 10 HE21 GLN 10 -0.527 4.324 -15.529 79 2HE2 GLN 10 HE22 GLN 10 -2.017 5.021 -14.997 80 H GLU 11 HN GLU 11 3.232 1.731 -12.745 81 HA GLU 11 HA GLU 11 3.729 1.617 -15.557 82 1HB GLU 11 HB2 GLU 11 5.538 1.944 -13.940 83 2HB GLU 11 HB1 GLU 11 5.222 0.361 -13.245 84 1HG GLU 11 HG2 GLU 11 5.877 -0.707 -15.321 85 2HG GLU 11 HG1 GLU 11 6.141 0.870 -16.066 86 H LEU 12 HN LEU 12 2.933 -0.804 -13.088 87 HA LEU 12 HA LEU 12 3.168 -3.130 -14.588 88 1HB LEU 12 HB2 LEU 12 2.746 -3.073 -12.173 89 2HB LEU 12 HB1 LEU 12 1.130 -2.461 -12.461 90 HG LEU 12 HG LEU 12 0.578 -4.590 -13.627 91 1HD1 LEU 12 HD11 LEU 12 2.284 -5.839 -14.323 92 2HD1 LEU 12 HD12 LEU 12 2.468 -6.351 -12.645 93 3HD1 LEU 12 HD13 LEU 12 3.425 -5.007 -13.266 94 1HD2 LEU 12 HD21 LEU 12 1.417 -5.679 -11.092 95 2HD2 LEU 12 HD22 LEU 12 -0.205 -5.297 -11.671 96 3HD2 LEU 12 HD23 LEU 12 0.774 -4.047 -10.900 97 H LEU 13 HN LEU 13 0.292 -1.049 -14.199 98 HA LEU 13 HA LEU 13 -1.049 -2.515 -16.339 99 1HB LEU 13 HB2 LEU 13 -1.961 -0.412 -14.400 100 2HB LEU 13 HB1 LEU 13 -2.929 -0.842 -15.798 101 HG LEU 13 HG LEU 13 -2.777 -3.252 -14.935 102 1HD1 LEU 13 HD11 LEU 13 -1.452 -1.785 -12.765 103 2HD1 LEU 13 HD12 LEU 13 -1.339 -3.483 -13.230 104 3HD1 LEU 13 HD13 LEU 13 -2.696 -2.925 -12.252 105 1HD2 LEU 13 HD21 LEU 13 -4.465 -1.028 -14.138 106 2HD2 LEU 13 HD22 LEU 13 -4.453 -2.329 -12.948 107 3HD2 LEU 13 HD23 LEU 13 -4.904 -2.667 -14.619 108 H GLY 14 HN GLY 14 1.151 -1.268 -17.296 109 1HA GLY 14 HA2 GLY 14 -0.004 0.489 -19.276 110 2HA GLY 14 HA1 GLY 14 1.113 1.303 -18.195 111 H GLU 15 HN GLU 15 3.196 -0.363 -17.881 112 HA GLU 15 HA GLU 15 4.455 -0.253 -20.456 113 1HB GLU 15 HB2 GLU 15 5.640 0.190 -18.298 114 2HB GLU 15 HB1 GLU 15 5.525 -1.525 -17.932 115 1HG GLU 15 HG2 GLU 15 7.709 -1.051 -18.791 116 2HG GLU 15 HG1 GLU 15 6.826 -2.015 -19.971 117 H GLU 16 HN GLU 16 3.110 -2.821 -18.455 118 HA GLU 16 HA GLU 16 4.105 -4.951 -20.082 119 1HB GLU 16 HB2 GLU 16 3.474 -5.392 -17.773 120 2HB GLU 16 HB1 GLU 16 1.825 -4.869 -18.092 121 1HG GLU 16 HG2 GLU 16 1.703 -6.745 -19.782 122 2HG GLU 16 HG1 GLU 16 3.217 -7.329 -19.098 123 H ARG 17 HN ARG 17 1.090 -3.112 -19.915 124 HA ARG 17 HA ARG 17 -0.114 -4.599 -22.091 125 1HB ARG 17 HB2 ARG 17 -1.039 -2.273 -20.421 126 2HB ARG 17 HB1 ARG 17 -1.960 -2.864 -21.794 127 1HG ARG 17 HG2 ARG 17 -1.176 -4.582 -19.452 128 2HG ARG 17 HG1 ARG 17 -2.703 -3.708 -19.562 129 1HD ARG 17 HD2 ARG 17 -3.178 -5.897 -20.291 130 2HD ARG 17 HD1 ARG 17 -3.081 -4.925 -21.757 131 HE ARG 17 HE ARG 17 -1.323 -6.214 -22.426 132 1HH1 ARG 17 HH11 ARG 17 -1.753 -6.659 -19.022 133 2HH1 ARG 17 HH12 ARG 17 -0.438 -7.795 -18.877 134 1HH2 ARG 17 HH21 ARG 17 0.357 -7.706 -22.234 135 2HH2 ARG 17 HH22 ARG 17 0.715 -8.385 -20.684 136 H ARG 18 HN ARG 18 2.175 -3.524 -23.127 137 HA ARG 18 HA ARG 18 1.633 -0.978 -24.385 138 1HB ARG 18 HB2 ARG 18 3.862 -2.980 -24.740 139 2HB ARG 18 HB1 ARG 18 3.746 -1.506 -25.689 140 1HG ARG 18 HG2 ARG 18 3.906 -1.583 -22.684 141 2HG ARG 18 HG1 ARG 18 5.287 -1.352 -23.756 142 1HD ARG 18 HD2 ARG 18 2.864 0.437 -23.771 143 2HD ARG 18 HD1 ARG 18 4.287 0.748 -22.778 144 HE ARG 18 HE ARG 18 4.021 1.162 -25.600 145 1HH1 ARG 18 HH11 ARG 18 6.280 0.656 -22.986 146 2HH1 ARG 18 HH12 ARG 18 7.619 1.262 -23.918 147 1HH2 ARG 18 HH21 ARG 18 5.774 1.947 -26.757 148 2HH2 ARG 18 HH22 ARG 18 7.336 1.985 -26.023 Start of MODEL 8 1 1H ILE 1 HT1 ILE 1 0.861 5.280 2.774 2 2H ILE 1 HT2 ILE 1 -0.019 4.306 3.843 3 3H ILE 1 HT3 ILE 1 -0.797 5.036 2.531 4 HA ILE 1 HA ILE 1 0.155 2.512 2.587 5 HB ILE 1 HB ILE 1 -1.522 3.277 1.034 6 1HG1 ILE 1 HG12 ILE 1 0.902 2.318 -0.507 7 2HG1 ILE 1 HG11 ILE 1 -0.209 1.285 0.386 8 1HG2 ILE 1 HG21 ILE 1 -1.014 4.683 -0.893 9 2HG2 ILE 1 HG22 ILE 1 0.654 4.842 -0.343 10 3HG2 ILE 1 HG23 ILE 1 -0.660 5.516 0.620 11 1HD1 ILE 1 HD11 ILE 1 -1.958 1.689 -1.130 12 2HD1 ILE 1 HD12 ILE 1 -0.522 1.405 -2.115 13 3HD1 ILE 1 HD13 ILE 1 -1.111 3.049 -1.866 14 HA PRO 2 HA PRO 2 4.545 2.786 1.951 15 1HB PRO 2 HB2 PRO 2 4.996 0.193 1.241 16 2HB PRO 2 HB1 PRO 2 4.747 0.717 2.904 17 1HG PRO 2 HG2 PRO 2 2.830 -0.566 1.015 18 2HG PRO 2 HG1 PRO 2 3.036 -0.831 2.755 19 1HD PRO 2 HD2 PRO 2 1.040 0.691 1.704 20 2HD PRO 2 HD1 PRO 2 1.737 0.980 3.309 21 H GLU 3 HN GLU 3 5.462 3.671 0.229 22 HA GLU 3 HA GLU 3 4.487 3.614 -2.374 23 1HB GLU 3 HB2 GLU 3 7.324 4.171 -1.483 24 2HB GLU 3 HB1 GLU 3 6.609 4.657 -3.014 25 1HG GLU 3 HG2 GLU 3 5.027 6.087 -1.831 26 2HG GLU 3 HG1 GLU 3 5.725 5.590 -0.290 27 H SER 4 HN SER 4 4.097 1.569 -3.099 28 HA SER 4 HA SER 4 6.347 0.169 -4.272 29 1HB SER 4 HB2 SER 4 5.715 -2.025 -3.173 30 2HB SER 4 HB1 SER 4 6.489 -0.852 -2.109 31 HG SER 4 HG SER 4 4.319 -0.246 -1.441 32 H SER 5 HN SER 5 2.911 -0.237 -3.373 33 HA SER 5 HA SER 5 2.230 -1.791 -5.647 34 1HB SER 5 HB2 SER 5 0.438 -0.053 -3.937 35 2HB SER 5 HB1 SER 5 -0.099 -1.321 -5.035 36 HG SER 5 HG SER 5 0.607 -2.832 -3.672 37 H GLU 6 HN GLU 6 2.197 1.638 -4.916 38 HA GLU 6 HA GLU 6 0.829 2.600 -7.175 39 1HB GLU 6 HB2 GLU 6 3.119 3.997 -5.788 40 2HB GLU 6 HB1 GLU 6 1.762 4.732 -6.623 41 1HG GLU 6 HG2 GLU 6 1.056 5.031 -4.497 42 2HG GLU 6 HG1 GLU 6 0.397 3.419 -4.764 43 H LEU 7 HN LEU 7 4.285 2.072 -6.616 44 HA LEU 7 HA LEU 7 5.101 2.918 -9.209 45 1HB LEU 7 HB2 LEU 7 6.497 1.322 -7.068 46 2HB LEU 7 HB1 LEU 7 7.259 1.727 -8.592 47 HG LEU 7 HG LEU 7 8.051 3.302 -7.026 48 1HD1 LEU 7 HD11 LEU 7 7.821 4.713 -8.738 49 2HD1 LEU 7 HD12 LEU 7 6.499 5.399 -7.795 50 3HD1 LEU 7 HD13 LEU 7 6.160 4.215 -9.057 51 1HD2 LEU 7 HD21 LEU 7 6.586 3.076 -5.197 52 2HD2 LEU 7 HD22 LEU 7 5.190 3.579 -6.152 53 3HD2 LEU 7 HD23 LEU 7 6.436 4.752 -5.726 54 H THR 8 HN THR 8 4.463 -0.275 -7.765 55 HA THR 8 HA THR 8 5.336 -1.779 -9.992 56 HB THR 8 HB THR 8 3.822 -3.603 -9.026 57 HG1 THR 8 HG1 THR 8 3.737 -1.920 -6.749 58 1HG2 THR 8 HG21 THR 8 5.885 -4.093 -8.302 59 2HG2 THR 8 HG22 THR 8 5.383 -3.361 -6.778 60 3HG2 THR 8 HG23 THR 8 6.262 -2.402 -7.969 61 H LEU 9 HN LEU 9 2.078 -0.534 -9.171 62 HA LEU 9 HA LEU 9 0.792 -1.855 -11.321 63 1HB LEU 9 HB2 LEU 9 -1.084 -0.376 -10.974 64 2HB LEU 9 HB1 LEU 9 -0.469 -0.944 -9.440 65 HG LEU 9 HG LEU 9 0.798 1.370 -9.441 66 1HD1 LEU 9 HD11 LEU 9 -0.056 3.072 -10.696 67 2HD1 LEU 9 HD12 LEU 9 -1.640 2.312 -10.854 68 3HD1 LEU 9 HD13 LEU 9 -0.284 1.738 -11.827 69 1HD2 LEU 9 HD21 LEU 9 -2.087 1.705 -8.918 70 2HD2 LEU 9 HD22 LEU 9 -0.698 2.002 -7.872 71 3HD2 LEU 9 HD23 LEU 9 -1.292 0.358 -8.105 72 H GLN 10 HN GLN 10 2.506 1.204 -11.130 73 HA GLN 10 HA GLN 10 1.705 2.237 -13.641 74 1HB GLN 10 HB2 GLN 10 2.745 3.625 -11.889 75 2HB GLN 10 HB1 GLN 10 4.261 2.761 -12.111 76 1HG GLN 10 HG2 GLN 10 4.451 3.596 -14.368 77 2HG GLN 10 HG1 GLN 10 2.879 4.383 -14.236 78 1HE2 GLN 10 HE21 GLN 10 3.029 6.473 -13.946 79 2HE2 GLN 10 HE22 GLN 10 4.268 7.297 -13.074 80 H GLU 11 HN GLU 11 4.395 0.159 -12.657 81 HA GLU 11 HA GLU 11 5.718 0.111 -15.162 82 1HB GLU 11 HB2 GLU 11 6.869 -0.622 -13.163 83 2HB GLU 11 HB1 GLU 11 5.673 -1.877 -12.881 84 1HG GLU 11 HG2 GLU 11 7.634 -2.910 -13.731 85 2HG GLU 11 HG1 GLU 11 6.408 -2.965 -14.993 86 H LEU 12 HN LEU 12 3.307 -2.030 -13.689 87 HA LEU 12 HA LEU 12 3.122 -3.839 -15.853 88 1HB LEU 12 HB2 LEU 12 1.063 -3.137 -13.758 89 2HB LEU 12 HB1 LEU 12 0.986 -4.525 -14.826 90 HG LEU 12 HG LEU 12 3.128 -4.054 -12.752 91 1HD1 LEU 12 HD11 LEU 12 1.255 -6.320 -12.532 92 2HD1 LEU 12 HD12 LEU 12 0.582 -4.723 -12.207 93 3HD1 LEU 12 HD13 LEU 12 1.964 -5.302 -11.277 94 1HD2 LEU 12 HD21 LEU 12 2.633 -6.233 -14.752 95 2HD2 LEU 12 HD22 LEU 12 3.515 -6.544 -13.257 96 3HD2 LEU 12 HD23 LEU 12 4.125 -5.357 -14.409 97 H LEU 13 HN LEU 13 0.916 -1.175 -14.898 98 HA LEU 13 HA LEU 13 -0.321 -1.293 -17.535 99 1HB LEU 13 HB2 LEU 13 -0.961 0.280 -15.052 100 2HB LEU 13 HB1 LEU 13 -1.775 0.562 -16.579 101 HG LEU 13 HG LEU 13 -2.316 -1.971 -16.492 102 1HD1 LEU 13 HD11 LEU 13 -1.272 -2.953 -14.750 103 2HD1 LEU 13 HD12 LEU 13 -2.706 -2.408 -13.879 104 3HD1 LEU 13 HD13 LEU 13 -1.216 -1.468 -13.800 105 1HD2 LEU 13 HD21 LEU 13 -3.975 -0.196 -16.343 106 2HD2 LEU 13 HD22 LEU 13 -3.646 -0.018 -14.620 107 3HD2 LEU 13 HD23 LEU 13 -4.359 -1.510 -15.231 108 H GLY 14 HN GLY 14 2.322 -0.556 -17.650 109 1HA GLY 14 HA2 GLY 14 2.071 2.141 -18.777 110 2HA GLY 14 HA1 GLY 14 3.339 1.866 -17.592 111 H GLU 15 HN GLU 15 4.432 -0.490 -18.220 112 HA GLU 15 HA GLU 15 5.391 -0.044 -20.969 113 1HB GLU 15 HB2 GLU 15 7.040 0.068 -19.049 114 2HB GLU 15 HB1 GLU 15 6.771 -1.655 -18.819 115 1HG GLU 15 HG2 GLU 15 8.784 -1.225 -20.121 116 2HG GLU 15 HG1 GLU 15 7.579 -2.104 -21.064 117 H GLU 16 HN GLU 16 4.518 -2.641 -18.702 118 HA GLU 16 HA GLU 16 4.604 -4.730 -20.622 119 1HB GLU 16 HB2 GLU 16 4.785 -5.256 -18.288 120 2HB GLU 16 HB1 GLU 16 3.255 -4.474 -17.932 121 1HG GLU 16 HG2 GLU 16 3.023 -6.871 -17.849 122 2HG GLU 16 HG1 GLU 16 2.076 -6.211 -19.179 123 H ARG 17 HN ARG 17 1.828 -3.049 -19.125 124 HA ARG 17 HA ARG 17 0.109 -4.022 -21.293 125 1HB ARG 17 HB2 ARG 17 -0.518 -4.314 -18.867 126 2HB ARG 17 HB1 ARG 17 -0.709 -2.571 -18.777 127 1HG ARG 17 HG2 ARG 17 -2.464 -2.673 -20.474 128 2HG ARG 17 HG1 ARG 17 -2.272 -4.427 -20.561 129 1HD ARG 17 HD2 ARG 17 -3.154 -2.809 -18.175 130 2HD ARG 17 HD1 ARG 17 -4.144 -3.909 -19.137 131 HE ARG 17 HE ARG 17 -1.988 -5.363 -18.159 132 1HH1 ARG 17 HH11 ARG 17 -4.738 -3.689 -16.922 133 2HH1 ARG 17 HH12 ARG 17 -4.880 -4.701 -15.529 134 1HH2 ARG 17 HH21 ARG 17 -2.150 -6.667 -16.348 135 2HH2 ARG 17 HH22 ARG 17 -3.409 -6.380 -15.201 136 H ARG 18 HN ARG 18 1.630 -2.263 -22.465 137 HA ARG 18 HA ARG 18 0.326 0.361 -22.295 138 1HB ARG 18 HB2 ARG 18 2.195 1.198 -23.655 139 2HB ARG 18 HB1 ARG 18 2.746 0.430 -22.174 140 1HG ARG 18 HG2 ARG 18 3.276 -1.605 -23.472 141 2HG ARG 18 HG1 ARG 18 2.819 -0.746 -24.946 142 1HD ARG 18 HD2 ARG 18 5.012 0.047 -23.032 143 2HD ARG 18 HD1 ARG 18 5.240 -0.713 -24.605 144 HE ARG 18 HE ARG 18 3.811 1.558 -25.124 145 1HH1 ARG 18 HH11 ARG 18 6.828 0.848 -23.551 146 2HH1 ARG 18 HH12 ARG 18 7.537 2.365 -24.025 147 1HH2 ARG 18 HH21 ARG 18 4.759 3.499 -25.743 148 2HH2 ARG 18 HH22 ARG 18 6.380 3.845 -25.262 Start of MODEL 9 1 1H ILE 1 HT1 ILE 1 4.678 3.570 2.386 2 2H ILE 1 HT2 ILE 1 4.764 5.016 1.513 3 3H ILE 1 HT3 ILE 1 6.135 4.035 1.660 4 HA ILE 1 HA ILE 1 3.698 2.953 0.433 5 HB ILE 1 HB ILE 1 4.537 3.644 -1.797 6 1HG1 ILE 1 HG12 ILE 1 6.343 5.509 -0.236 7 2HG1 ILE 1 HG11 ILE 1 6.889 4.079 -1.105 8 1HG2 ILE 1 HG21 ILE 1 2.899 5.120 -1.512 9 2HG2 ILE 1 HG22 ILE 1 4.131 6.282 -1.016 10 3HG2 ILE 1 HG23 ILE 1 3.287 5.319 0.197 11 1HD1 ILE 1 HD11 ILE 1 6.713 5.076 -3.126 12 2HD1 ILE 1 HD12 ILE 1 6.972 6.519 -2.145 13 3HD1 ILE 1 HD13 ILE 1 5.340 6.072 -2.643 14 HA PRO 2 HA PRO 2 6.367 -0.572 0.215 15 1HB PRO 2 HB2 PRO 2 4.791 -1.464 -2.102 16 2HB PRO 2 HB1 PRO 2 4.963 -2.207 -0.510 17 1HG PRO 2 HG2 PRO 2 2.678 -1.018 -1.279 18 2HG PRO 2 HG1 PRO 2 3.242 -0.970 0.402 19 1HD PRO 2 HD2 PRO 2 3.416 1.141 -1.718 20 2HD PRO 2 HD1 PRO 2 3.018 1.305 0.006 21 H GLU 3 HN GLU 3 8.357 -0.553 -0.619 22 HA GLU 3 HA GLU 3 9.000 0.741 -3.084 23 1HB GLU 3 HB2 GLU 3 10.703 -0.989 -1.282 24 2HB GLU 3 HB1 GLU 3 11.308 0.003 -2.602 25 1HG GLU 3 HG2 GLU 3 10.579 2.013 -1.470 26 2HG GLU 3 HG1 GLU 3 9.864 1.052 -0.177 27 H SER 4 HN SER 4 7.227 -1.039 -3.901 28 HA SER 4 HA SER 4 8.591 -2.555 -5.872 29 1HB SER 4 HB2 SER 4 7.852 -4.828 -5.159 30 2HB SER 4 HB1 SER 4 9.040 -4.123 -4.063 31 HG SER 4 HG SER 4 7.327 -5.039 -2.896 32 H SER 5 HN SER 5 5.594 -2.598 -3.951 33 HA SER 5 HA SER 5 3.852 -3.391 -6.001 34 1HB SER 5 HB2 SER 5 3.176 -1.600 -3.666 35 2HB SER 5 HB1 SER 5 2.057 -2.607 -4.582 36 HG SER 5 HG SER 5 2.672 -4.296 -3.476 37 H GLU 6 HN GLU 6 4.801 -0.153 -4.912 38 HA GLU 6 HA GLU 6 3.104 1.350 -6.559 39 1HB GLU 6 HB2 GLU 6 5.906 2.082 -5.685 40 2HB GLU 6 HB1 GLU 6 4.645 3.195 -6.189 41 1HG GLU 6 HG2 GLU 6 4.535 1.439 -3.749 42 2HG GLU 6 HG1 GLU 6 4.974 3.145 -3.757 43 H LEU 7 HN LEU 7 6.373 0.130 -7.099 44 HA LEU 7 HA LEU 7 6.792 1.256 -9.642 45 1HB LEU 7 HB2 LEU 7 8.404 0.062 -7.939 46 2HB LEU 7 HB1 LEU 7 7.994 -1.371 -8.857 47 HG LEU 7 HG LEU 7 10.130 -0.285 -9.544 48 1HD1 LEU 7 HD11 LEU 7 8.360 -0.024 -11.905 49 2HD1 LEU 7 HD12 LEU 7 8.410 -1.583 -11.083 50 3HD1 LEU 7 HD13 LEU 7 9.893 -0.875 -11.722 51 1HD2 LEU 7 HD21 LEU 7 9.073 1.784 -11.174 52 2HD2 LEU 7 HD22 LEU 7 10.243 1.901 -9.860 53 3HD2 LEU 7 HD23 LEU 7 8.518 2.041 -9.519 54 H THR 8 HN THR 8 5.568 -1.986 -8.683 55 HA THR 8 HA THR 8 5.249 -2.886 -11.361 56 HB THR 8 HB THR 8 3.807 -4.657 -10.439 57 HG1 THR 8 HG1 THR 8 3.059 -4.581 -8.424 58 1HG2 THR 8 HG21 THR 8 6.278 -4.846 -10.371 59 2HG2 THR 8 HG22 THR 8 5.479 -5.744 -9.080 60 3HG2 THR 8 HG23 THR 8 6.250 -4.196 -8.731 61 H LEU 9 HN LEU 9 2.930 -1.512 -9.028 62 HA LEU 9 HA LEU 9 0.639 -1.608 -10.632 63 1HB LEU 9 HB2 LEU 9 0.520 -1.099 -8.274 64 2HB LEU 9 HB1 LEU 9 1.445 0.373 -8.504 65 HG LEU 9 HG LEU 9 -0.445 1.242 -9.913 66 1HD1 LEU 9 HD11 LEU 9 -1.808 -1.225 -8.851 67 2HD1 LEU 9 HD12 LEU 9 -1.519 -0.805 -10.540 68 3HD1 LEU 9 HD13 LEU 9 -2.648 0.147 -9.575 69 1HD2 LEU 9 HD21 LEU 9 -0.930 0.554 -7.023 70 2HD2 LEU 9 HD22 LEU 9 -1.916 1.689 -7.945 71 3HD2 LEU 9 HD23 LEU 9 -0.205 2.024 -7.675 72 H GLN 10 HN GLN 10 3.087 0.961 -10.313 73 HA GLN 10 HA GLN 10 1.914 2.857 -11.994 74 1HB GLN 10 HB2 GLN 10 3.807 3.425 -10.611 75 2HB GLN 10 HB1 GLN 10 4.827 2.271 -11.457 76 1HG GLN 10 HG2 GLN 10 4.639 3.608 -13.498 77 2HG GLN 10 HG1 GLN 10 3.626 4.766 -12.639 78 1HE2 GLN 10 HE21 GLN 10 6.683 4.149 -13.656 79 2HE2 GLN 10 HE22 GLN 10 7.556 5.169 -12.570 80 H GLU 11 HN GLU 11 3.992 0.093 -12.792 81 HA GLU 11 HA GLU 11 4.161 0.760 -15.574 82 1HB GLU 11 HB2 GLU 11 5.878 -0.617 -14.478 83 2HB GLU 11 HB1 GLU 11 4.685 -1.878 -14.192 84 1HG GLU 11 HG2 GLU 11 4.402 -2.158 -16.602 85 2HG GLU 11 HG1 GLU 11 5.595 -0.896 -16.888 86 H LEU 12 HN LEU 12 2.221 -1.558 -13.691 87 HA LEU 12 HA LEU 12 0.873 -2.748 -15.846 88 1HB LEU 12 HB2 LEU 12 -0.214 -2.260 -13.072 89 2HB LEU 12 HB1 LEU 12 -0.800 -3.445 -14.220 90 HG LEU 12 HG LEU 12 1.900 -3.475 -12.870 91 1HD1 LEU 12 HD11 LEU 12 0.967 -4.658 -11.246 92 2HD1 LEU 12 HD12 LEU 12 0.237 -5.765 -12.408 93 3HD1 LEU 12 HD13 LEU 12 -0.612 -4.292 -11.941 94 1HD2 LEU 12 HD21 LEU 12 1.019 -5.903 -14.203 95 2HD2 LEU 12 HD22 LEU 12 2.575 -5.074 -14.268 96 3HD2 LEU 12 HD23 LEU 12 1.256 -4.558 -15.319 97 H LEU 13 HN LEU 13 -0.198 -0.056 -13.752 98 HA LEU 13 HA LEU 13 -2.306 0.558 -15.700 99 1HB LEU 13 HB2 LEU 13 -2.786 0.340 -13.226 100 2HB LEU 13 HB1 LEU 13 -1.872 1.818 -12.996 101 HG LEU 13 HG LEU 13 -3.479 3.027 -14.424 102 1HD1 LEU 13 HD11 LEU 13 -5.623 1.140 -14.374 103 2HD1 LEU 13 HD12 LEU 13 -4.237 0.429 -15.201 104 3HD1 LEU 13 HD13 LEU 13 -4.900 1.967 -15.754 105 1HD2 LEU 13 HD21 LEU 13 -5.344 1.818 -12.544 106 2HD2 LEU 13 HD22 LEU 13 -4.730 3.469 -12.629 107 3HD2 LEU 13 HD23 LEU 13 -3.789 2.219 -11.815 108 H GLY 14 HN GLY 14 0.122 1.122 -16.734 109 1HA GLY 14 HA2 GLY 14 -0.063 3.951 -17.195 110 2HA GLY 14 HA1 GLY 14 1.366 3.522 -16.270 111 H GLU 15 HN GLU 15 2.049 1.110 -17.476 112 HA GLU 15 HA GLU 15 2.822 2.035 -20.164 113 1HB GLU 15 HB2 GLU 15 4.733 1.736 -18.734 114 2HB GLU 15 HB1 GLU 15 4.175 0.148 -18.232 115 1HG GLU 15 HG2 GLU 15 6.029 -0.015 -19.793 116 2HG GLU 15 HG1 GLU 15 4.561 -0.718 -20.469 117 H GLU 16 HN GLU 16 1.917 -0.903 -18.361 118 HA GLU 16 HA GLU 16 1.697 -2.571 -20.627 119 1HB GLU 16 HB2 GLU 16 1.956 -3.333 -18.269 120 2HB GLU 16 HB1 GLU 16 0.286 -2.876 -17.975 121 1HG GLU 16 HG2 GLU 16 -0.497 -4.525 -19.536 122 2HG GLU 16 HG1 GLU 16 1.155 -4.912 -20.013 123 H ARG 17 HN ARG 17 -0.785 -0.663 -18.909 124 HA ARG 17 HA ARG 17 -2.728 -1.471 -20.962 125 1HB ARG 17 HB2 ARG 17 -3.084 -0.279 -18.223 126 2HB ARG 17 HB1 ARG 17 -4.406 -0.431 -19.374 127 1HG ARG 17 HG2 ARG 17 -4.398 -2.738 -19.278 128 2HG ARG 17 HG1 ARG 17 -2.747 -2.806 -18.661 129 1HD ARG 17 HD2 ARG 17 -3.639 -1.682 -16.567 130 2HD ARG 17 HD1 ARG 17 -5.254 -2.025 -17.193 131 HE ARG 17 HE ARG 17 -4.974 -4.142 -16.415 132 1HH1 ARG 17 HH11 ARG 17 -1.836 -2.819 -17.035 133 2HH1 ARG 17 HH12 ARG 17 -1.009 -4.331 -16.737 134 1HH2 ARG 17 HH21 ARG 17 -3.868 -6.065 -15.936 135 2HH2 ARG 17 HH22 ARG 17 -2.144 -6.106 -16.079 136 H ARG 18 HN ARG 18 -1.740 1.508 -19.257 137 HA ARG 18 HA ARG 18 -1.666 3.684 -19.891 138 1HB ARG 18 HB2 ARG 18 -1.867 2.446 -22.622 139 2HB ARG 18 HB1 ARG 18 -1.941 4.191 -22.418 140 1HG ARG 18 HG2 ARG 18 0.249 4.002 -21.169 141 2HG ARG 18 HG1 ARG 18 0.326 2.341 -21.757 142 1HD ARG 18 HD2 ARG 18 0.446 3.034 -24.009 143 2HD ARG 18 HD1 ARG 18 -0.057 4.678 -23.611 144 HE ARG 18 HE ARG 18 2.120 5.178 -23.154 145 1HH1 ARG 18 HH11 ARG 18 1.818 1.741 -23.267 146 2HH1 ARG 18 HH12 ARG 18 3.490 1.452 -22.858 147 1HH2 ARG 18 HH21 ARG 18 4.278 4.801 -22.603 148 2HH2 ARG 18 HH22 ARG 18 4.846 3.167 -22.423 Start of MODEL 10 1 1H ILE 1 HT1 ILE 1 7.052 5.968 2.370 2 2H ILE 1 HT2 ILE 1 8.380 5.641 1.375 3 3H ILE 1 HT3 ILE 1 7.903 4.516 2.547 4 HA ILE 1 HA ILE 1 6.217 3.698 1.329 5 HB ILE 1 HB ILE 1 5.962 6.359 -0.091 6 1HG1 ILE 1 HG12 ILE 1 4.328 5.260 2.209 7 2HG1 ILE 1 HG11 ILE 1 5.527 6.541 2.344 8 1HG2 ILE 1 HG21 ILE 1 5.044 4.054 -1.021 9 2HG2 ILE 1 HG22 ILE 1 4.123 5.551 -1.170 10 3HG2 ILE 1 HG23 ILE 1 3.737 4.402 0.112 11 1HD1 ILE 1 HD11 ILE 1 4.118 7.810 0.648 12 2HD1 ILE 1 HD12 ILE 1 3.465 7.633 2.276 13 3HD1 ILE 1 HD13 ILE 1 2.866 6.610 0.970 14 HA PRO 2 HA PRO 2 9.020 2.528 -1.953 15 1HB PRO 2 HB2 PRO 2 7.008 0.583 -2.779 16 2HB PRO 2 HB1 PRO 2 8.597 0.305 -2.064 17 1HG PRO 2 HG2 PRO 2 6.290 -0.187 -0.733 18 2HG PRO 2 HG1 PRO 2 7.780 0.320 0.083 19 1HD PRO 2 HD2 PRO 2 5.376 1.949 -0.660 20 2HD PRO 2 HD1 PRO 2 6.339 1.978 0.834 21 H GLU 3 HN GLU 3 7.862 4.802 -2.684 22 HA GLU 3 HA GLU 3 5.936 4.992 -4.605 23 1HB GLU 3 HB2 GLU 3 8.536 6.515 -4.682 24 2HB GLU 3 HB1 GLU 3 6.993 7.031 -5.347 25 1HG GLU 3 HG2 GLU 3 7.478 6.558 -2.418 26 2HG GLU 3 HG1 GLU 3 7.650 8.124 -3.204 27 H SER 4 HN SER 4 9.370 4.472 -5.278 28 HA SER 4 HA SER 4 9.261 4.327 -8.046 29 1HB SER 4 HB2 SER 4 11.365 2.981 -7.867 30 2HB SER 4 HB1 SER 4 11.382 4.462 -6.911 31 HG SER 4 HG SER 4 11.517 1.851 -6.100 32 H SER 5 HN SER 5 8.838 1.701 -5.695 33 HA SER 5 HA SER 5 8.541 -0.318 -7.700 34 1HB SER 5 HB2 SER 5 7.747 -0.374 -4.792 35 2HB SER 5 HB1 SER 5 7.864 -1.770 -5.860 36 HG SER 5 HG SER 5 9.908 -1.831 -5.413 37 H GLU 6 HN GLU 6 6.229 1.371 -5.559 38 HA GLU 6 HA GLU 6 3.934 0.037 -6.482 39 1HB GLU 6 HB2 GLU 6 4.210 2.814 -5.325 40 2HB GLU 6 HB1 GLU 6 2.679 1.983 -5.565 41 1HG GLU 6 HG2 GLU 6 3.440 0.200 -4.044 42 2HG GLU 6 HG1 GLU 6 4.926 1.104 -3.765 43 H LEU 7 HN LEU 7 5.444 3.062 -7.592 44 HA LEU 7 HA LEU 7 3.482 3.667 -9.532 45 1HB LEU 7 HB2 LEU 7 6.383 4.456 -9.334 46 2HB LEU 7 HB1 LEU 7 5.302 5.069 -10.571 47 HG LEU 7 HG LEU 7 4.967 5.466 -7.595 48 1HD1 LEU 7 HD11 LEU 7 5.223 7.919 -8.858 49 2HD1 LEU 7 HD12 LEU 7 6.449 6.906 -9.619 50 3HD1 LEU 7 HD13 LEU 7 6.437 7.110 -7.867 51 1HD2 LEU 7 HD21 LEU 7 3.065 5.576 -9.677 52 2HD2 LEU 7 HD22 LEU 7 3.423 7.239 -9.212 53 3HD2 LEU 7 HD23 LEU 7 2.875 6.083 -7.998 54 H THR 8 HN THR 8 6.572 1.848 -9.793 55 HA THR 8 HA THR 8 6.296 1.446 -12.599 56 HB THR 8 HB THR 8 7.920 -0.466 -12.269 57 HG1 THR 8 HG1 THR 8 8.411 0.543 -9.694 58 1HG2 THR 8 HG21 THR 8 9.336 1.720 -11.000 59 2HG2 THR 8 HG22 THR 8 8.301 2.278 -12.314 60 3HG2 THR 8 HG23 THR 8 9.524 1.044 -12.618 61 H LEU 9 HN LEU 9 5.319 -0.462 -9.778 62 HA LEU 9 HA LEU 9 4.418 -2.749 -11.150 63 1HB LEU 9 HB2 LEU 9 4.647 -2.790 -8.760 64 2HB LEU 9 HB1 LEU 9 3.502 -1.476 -8.573 65 HG LEU 9 HG LEU 9 1.730 -2.996 -9.493 66 1HD1 LEU 9 HD11 LEU 9 3.215 -5.407 -8.807 67 2HD1 LEU 9 HD12 LEU 9 3.841 -4.579 -10.233 68 3HD1 LEU 9 HD13 LEU 9 2.151 -5.078 -10.174 69 1HD2 LEU 9 HD21 LEU 9 1.806 -2.611 -7.145 70 2HD2 LEU 9 HD22 LEU 9 3.158 -3.726 -6.944 71 3HD2 LEU 9 HD23 LEU 9 1.565 -4.341 -7.387 72 H GLN 10 HN GLN 10 2.739 0.236 -10.220 73 HA GLN 10 HA GLN 10 0.190 -0.395 -11.230 74 1HB GLN 10 HB2 GLN 10 0.667 1.498 -9.715 75 2HB GLN 10 HB1 GLN 10 1.541 2.305 -11.008 76 1HG GLN 10 HG2 GLN 10 -0.594 2.289 -12.325 77 2HG GLN 10 HG1 GLN 10 -1.403 1.724 -10.864 78 1HE2 GLN 10 HE21 GLN 10 -2.188 3.225 -9.563 79 2HE2 GLN 10 HE22 GLN 10 -1.732 4.888 -9.544 80 H GLU 11 HN GLU 11 2.969 1.232 -12.708 81 HA GLU 11 HA GLU 11 1.789 1.819 -15.196 82 1HB GLU 11 HB2 GLU 11 4.650 1.436 -14.339 83 2HB GLU 11 HB1 GLU 11 4.217 1.872 -15.985 84 1HG GLU 11 HG2 GLU 11 3.293 3.937 -15.294 85 2HG GLU 11 HG1 GLU 11 3.355 3.471 -13.594 86 H LEU 12 HN LEU 12 3.823 -0.951 -14.194 87 HA LEU 12 HA LEU 12 3.800 -2.279 -16.679 88 1HB LEU 12 HB2 LEU 12 3.983 -3.450 -13.901 89 2HB LEU 12 HB1 LEU 12 4.350 -4.314 -15.382 90 HG LEU 12 HG LEU 12 5.837 -1.903 -14.345 91 1HD1 LEU 12 HD11 LEU 12 7.500 -3.319 -13.593 92 2HD1 LEU 12 HD12 LEU 12 6.964 -4.658 -14.608 93 3HD1 LEU 12 HD13 LEU 12 6.038 -4.211 -13.175 94 1HD2 LEU 12 HD21 LEU 12 6.851 -3.660 -16.522 95 2HD2 LEU 12 HD22 LEU 12 7.162 -1.952 -16.210 96 3HD2 LEU 12 HD23 LEU 12 5.626 -2.454 -16.917 97 H LEU 13 HN LEU 13 1.692 -2.668 -13.839 98 HA LEU 13 HA LEU 13 0.050 -4.706 -14.822 99 1HB LEU 13 HB2 LEU 13 0.084 -3.908 -12.487 100 2HB LEU 13 HB1 LEU 13 -0.701 -2.425 -12.991 101 HG LEU 13 HG LEU 13 -2.648 -3.839 -13.761 102 1HD1 LEU 13 HD11 LEU 13 -1.234 -5.958 -12.150 103 2HD1 LEU 13 HD12 LEU 13 -1.452 -5.971 -13.900 104 3HD1 LEU 13 HD13 LEU 13 -2.854 -6.075 -12.836 105 1HD2 LEU 13 HD21 LEU 13 -1.809 -3.187 -11.045 106 2HD2 LEU 13 HD22 LEU 13 -3.019 -4.467 -11.120 107 3HD2 LEU 13 HD23 LEU 13 -3.347 -2.900 -11.859 108 H GLY 14 HN GLY 14 -0.318 -1.190 -15.085 109 1HA GLY 14 HA2 GLY 14 -2.771 -1.284 -16.530 110 2HA GLY 14 HA1 GLY 14 -1.738 0.119 -16.325 111 H GLU 15 HN GLU 15 0.614 -0.790 -17.562 112 HA GLU 15 HA GLU 15 -0.013 -0.295 -20.275 113 1HB GLU 15 HB2 GLU 15 2.182 0.136 -18.985 114 2HB GLU 15 HB1 GLU 15 2.571 -1.534 -19.367 115 1HG GLU 15 HG2 GLU 15 3.546 0.141 -20.925 116 2HG GLU 15 HG1 GLU 15 2.552 -1.088 -21.705 117 H GLU 16 HN GLU 16 0.763 -3.286 -18.539 118 HA GLU 16 HA GLU 16 0.782 -4.927 -20.877 119 1HB GLU 16 HB2 GLU 16 0.457 -5.631 -17.956 120 2HB GLU 16 HB1 GLU 16 0.611 -6.817 -19.242 121 1HG GLU 16 HG2 GLU 16 2.835 -6.093 -19.735 122 2HG GLU 16 HG1 GLU 16 2.685 -4.728 -18.628 123 H ARG 17 HN ARG 17 -1.661 -4.171 -18.396 124 HA ARG 17 HA ARG 17 -3.630 -5.603 -20.062 125 1HB ARG 17 HB2 ARG 17 -3.450 -5.150 -17.110 126 2HB ARG 17 HB1 ARG 17 -5.007 -5.481 -17.860 127 1HG ARG 17 HG2 ARG 17 -4.458 -7.633 -18.389 128 2HG ARG 17 HG1 ARG 17 -2.732 -7.282 -18.499 129 1HD ARG 17 HD2 ARG 17 -4.301 -7.343 -15.925 130 2HD ARG 17 HD1 ARG 17 -3.358 -8.696 -16.549 131 HE ARG 17 HE ARG 17 -2.362 -6.435 -15.162 132 1HH1 ARG 17 HH11 ARG 17 -1.538 -8.682 -17.669 133 2HH1 ARG 17 HH12 ARG 17 0.164 -8.402 -17.510 134 1HH2 ARG 17 HH21 ARG 17 -0.136 -6.101 -14.983 135 2HH2 ARG 17 HH22 ARG 17 0.951 -6.958 -16.047 136 H ARG 18 HN ARG 18 -3.291 -3.371 -21.225 137 HA ARG 18 HA ARG 18 -4.579 -1.056 -20.260 138 1HB ARG 18 HB2 ARG 18 -3.974 -2.030 -23.048 139 2HB ARG 18 HB1 ARG 18 -4.752 -0.484 -22.746 140 1HG ARG 18 HG2 ARG 18 -2.083 -1.248 -21.589 141 2HG ARG 18 HG1 ARG 18 -2.281 -0.390 -23.119 142 1HD ARG 18 HD2 ARG 18 -3.502 1.390 -21.927 143 2HD ARG 18 HD1 ARG 18 -3.222 0.542 -20.408 144 HE ARG 18 HE ARG 18 -0.732 0.959 -21.653 145 1HH1 ARG 18 HH11 ARG 18 -3.307 2.810 -20.242 146 2HH1 ARG 18 HH12 ARG 18 -2.264 4.075 -19.700 147 1HH2 ARG 18 HH21 ARG 18 0.629 2.615 -20.978 148 2HH2 ARG 18 HH22 ARG 18 -0.044 3.960 -20.103 Start of MODEL 11 1 1H ILE 1 HT1 ILE 1 1.926 9.019 -2.182 2 2H ILE 1 HT2 ILE 1 0.329 8.513 -1.945 3 3H ILE 1 HT3 ILE 1 1.322 7.693 -3.046 4 HA ILE 1 HA ILE 1 1.956 7.873 -0.167 5 HB ILE 1 HB ILE 1 -0.235 6.820 -0.377 6 1HG1 ILE 1 HG12 ILE 1 1.855 4.691 0.116 7 2HG1 ILE 1 HG11 ILE 1 1.440 5.951 1.274 8 1HG2 ILE 1 HG21 ILE 1 0.321 4.387 -1.682 9 2HG2 ILE 1 HG22 ILE 1 0.893 5.682 -2.734 10 3HG2 ILE 1 HG23 ILE 1 -0.783 5.668 -2.183 11 1HD1 ILE 1 HD11 ILE 1 -1.000 4.854 0.663 12 2HD1 ILE 1 HD12 ILE 1 -0.022 4.486 2.084 13 3HD1 ILE 1 HD13 ILE 1 0.081 3.461 0.652 14 HA PRO 2 HA PRO 2 5.781 6.218 -1.709 15 1HB PRO 2 HB2 PRO 2 6.844 5.356 0.632 16 2HB PRO 2 HB1 PRO 2 6.748 7.063 0.184 17 1HG PRO 2 HG2 PRO 2 4.937 5.467 1.960 18 2HG PRO 2 HG1 PRO 2 5.603 7.091 2.214 19 1HD PRO 2 HD2 PRO 2 3.082 6.693 1.340 20 2HD PRO 2 HD1 PRO 2 4.056 8.081 0.815 21 H GLU 3 HN GLU 3 3.602 4.411 -2.104 22 HA GLU 3 HA GLU 3 4.460 1.846 -1.041 23 1HB GLU 3 HB2 GLU 3 2.182 2.700 -2.807 24 2HB GLU 3 HB1 GLU 3 2.583 1.001 -2.592 25 1HG GLU 3 HG2 GLU 3 2.301 1.285 -0.155 26 2HG GLU 3 HG1 GLU 3 1.791 2.948 -0.441 27 H SER 4 HN SER 4 6.541 1.727 -1.940 28 HA SER 4 HA SER 4 7.317 2.023 -4.567 29 1HB SER 4 HB2 SER 4 9.136 0.384 -4.030 30 2HB SER 4 HB1 SER 4 8.950 1.665 -2.833 31 HG SER 4 HG SER 4 9.038 -0.153 -1.644 32 H SER 5 HN SER 5 5.891 -0.847 -3.058 33 HA SER 5 HA SER 5 6.178 -2.593 -5.249 34 1HB SER 5 HB2 SER 5 5.604 -3.332 -2.984 35 2HB SER 5 HB1 SER 5 4.021 -2.580 -3.138 36 HG SER 5 HG SER 5 4.277 -4.948 -3.631 37 H GLU 6 HN GLU 6 3.480 -0.461 -4.313 38 HA GLU 6 HA GLU 6 1.798 -1.143 -6.487 39 1HB GLU 6 HB2 GLU 6 1.135 0.091 -4.361 40 2HB GLU 6 HB1 GLU 6 1.878 1.520 -5.054 41 1HG GLU 6 HG2 GLU 6 -0.310 0.031 -6.469 42 2HG GLU 6 HG1 GLU 6 -0.649 1.267 -5.263 43 H LEU 7 HN LEU 7 4.103 1.495 -5.938 44 HA LEU 7 HA LEU 7 3.831 2.813 -8.383 45 1HB LEU 7 HB2 LEU 7 6.271 2.532 -6.630 46 2HB LEU 7 HB1 LEU 7 6.122 3.675 -7.952 47 HG LEU 7 HG LEU 7 4.417 3.647 -5.459 48 1HD1 LEU 7 HD11 LEU 7 7.015 4.589 -5.823 49 2HD1 LEU 7 HD12 LEU 7 5.914 4.975 -4.501 50 3HD1 LEU 7 HD13 LEU 7 5.985 6.018 -5.922 51 1HD2 LEU 7 HD21 LEU 7 3.368 4.466 -7.636 52 2HD2 LEU 7 HD22 LEU 7 4.525 5.796 -7.556 53 3HD2 LEU 7 HD23 LEU 7 3.346 5.573 -6.263 54 H THR 8 HN THR 8 5.997 0.087 -7.511 55 HA THR 8 HA THR 8 7.247 0.042 -10.095 56 HB THR 8 HB THR 8 7.954 -2.309 -9.412 57 HG1 THR 8 HG1 THR 8 7.002 -1.514 -6.851 58 1HG2 THR 8 HG21 THR 8 9.530 -1.439 -7.667 59 2HG2 THR 8 HG22 THR 8 8.636 0.080 -7.705 60 3HG2 THR 8 HG23 THR 8 9.477 -0.484 -9.149 61 H LEU 9 HN LEU 9 4.611 -1.813 -8.608 62 HA LEU 9 HA LEU 9 4.112 -3.557 -10.763 63 1HB LEU 9 HB2 LEU 9 3.132 -3.976 -8.610 64 2HB LEU 9 HB1 LEU 9 2.299 -2.433 -8.630 65 HG LEU 9 HG LEU 9 0.995 -3.297 -10.622 66 1HD1 LEU 9 HD11 LEU 9 1.242 -5.372 -11.414 67 2HD1 LEU 9 HD12 LEU 9 1.471 -6.067 -9.809 68 3HD1 LEU 9 HD13 LEU 9 2.825 -5.303 -10.640 69 1HD2 LEU 9 HD21 LEU 9 0.078 -5.148 -8.679 70 2HD2 LEU 9 HD22 LEU 9 -0.565 -3.554 -9.078 71 3HD2 LEU 9 HD23 LEU 9 0.680 -3.718 -7.840 72 H GLN 10 HN GLN 10 2.734 -0.397 -9.934 73 HA GLN 10 HA GLN 10 0.891 -0.129 -12.003 74 1HB GLN 10 HB2 GLN 10 1.210 1.348 -9.980 75 2HB GLN 10 HB1 GLN 10 2.550 2.098 -10.830 76 1HG GLN 10 HG2 GLN 10 0.594 3.460 -11.064 77 2HG GLN 10 HG1 GLN 10 0.994 2.751 -12.630 78 1HE2 GLN 10 HE21 GLN 10 -0.834 1.781 -9.728 79 2HE2 GLN 10 HE22 GLN 10 -2.233 1.251 -10.619 80 H GLU 11 HN GLU 11 4.337 0.735 -11.924 81 HA GLU 11 HA GLU 11 4.474 1.915 -14.476 82 1HB GLU 11 HB2 GLU 11 6.232 2.110 -12.731 83 2HB GLU 11 HB1 GLU 11 6.653 0.425 -12.996 84 1HG GLU 11 HG2 GLU 11 7.381 0.898 -15.229 85 2HG GLU 11 HG1 GLU 11 6.795 2.557 -15.113 86 H LEU 12 HN LEU 12 4.991 -1.424 -13.372 87 HA LEU 12 HA LEU 12 5.662 -2.540 -15.876 88 1HB LEU 12 HB2 LEU 12 4.230 -3.833 -13.548 89 2HB LEU 12 HB1 LEU 12 4.967 -4.691 -14.888 90 HG LEU 12 HG LEU 12 6.448 -3.000 -12.873 91 1HD1 LEU 12 HD11 LEU 12 6.079 -4.826 -11.602 92 2HD1 LEU 12 HD12 LEU 12 7.401 -5.494 -12.561 93 3HD1 LEU 12 HD13 LEU 12 5.729 -5.856 -12.990 94 1HD2 LEU 12 HD21 LEU 12 8.410 -3.483 -13.973 95 2HD2 LEU 12 HD22 LEU 12 7.300 -3.292 -15.329 96 3HD2 LEU 12 HD23 LEU 12 7.740 -4.906 -14.771 97 H LEU 13 HN LEU 13 2.551 -2.105 -14.224 98 HA LEU 13 HA LEU 13 0.919 -3.323 -16.187 99 1HB LEU 13 HB2 LEU 13 0.265 -1.122 -14.223 100 2HB LEU 13 HB1 LEU 13 -0.923 -1.998 -15.168 101 HG LEU 13 HG LEU 13 0.894 -3.213 -13.085 102 1HD1 LEU 13 HD11 LEU 13 -1.767 -3.540 -12.358 103 2HD1 LEU 13 HD12 LEU 13 -1.656 -1.869 -12.914 104 3HD1 LEU 13 HD13 LEU 13 -0.595 -2.443 -11.628 105 1HD2 LEU 13 HD21 LEU 13 -0.833 -5.117 -13.402 106 2HD2 LEU 13 HD22 LEU 13 0.484 -4.950 -14.564 107 3HD2 LEU 13 HD23 LEU 13 -1.128 -4.361 -14.968 108 H GLY 14 HN GLY 14 1.998 0.033 -15.748 109 1HA GLY 14 HA2 GLY 14 0.525 1.184 -17.869 110 2HA GLY 14 HA1 GLY 14 2.007 1.836 -17.181 111 H GLU 15 HN GLU 15 3.793 -0.200 -17.739 112 HA GLU 15 HA GLU 15 4.451 0.298 -20.460 113 1HB GLU 15 HB2 GLU 15 6.153 -0.220 -18.760 114 2HB GLU 15 HB1 GLU 15 5.479 -1.832 -18.565 115 1HG GLU 15 HG2 GLU 15 6.034 -2.286 -20.943 116 2HG GLU 15 HG1 GLU 15 6.840 -0.720 -21.006 117 H GLU 16 HN GLU 16 2.832 -2.307 -18.771 118 HA GLU 16 HA GLU 16 2.695 -4.152 -20.929 119 1HB GLU 16 HB2 GLU 16 2.420 -4.853 -18.613 120 2HB GLU 16 HB1 GLU 16 1.007 -3.826 -18.440 121 1HG GLU 16 HG2 GLU 16 -0.060 -5.237 -20.255 122 2HG GLU 16 HG1 GLU 16 1.284 -6.357 -20.022 123 H ARG 17 HN ARG 17 0.328 -1.868 -19.547 124 HA ARG 17 HA ARG 17 -1.467 -2.295 -21.801 125 1HB ARG 17 HB2 ARG 17 -1.726 -0.569 -19.339 126 2HB ARG 17 HB1 ARG 17 -2.971 -0.742 -20.568 127 1HG ARG 17 HG2 ARG 17 -3.054 -3.165 -20.088 128 2HG ARG 17 HG1 ARG 17 -1.888 -2.913 -18.787 129 1HD ARG 17 HD2 ARG 17 -4.180 -2.993 -17.935 130 2HD ARG 17 HD1 ARG 17 -3.442 -1.414 -17.663 131 HE ARG 17 HE ARG 17 -4.851 -1.342 -20.083 132 1HH1 ARG 17 HH11 ARG 17 -5.452 -1.578 -16.689 133 2HH1 ARG 17 HH12 ARG 17 -7.002 -0.824 -16.788 134 1HH2 ARG 17 HH21 ARG 17 -6.859 -0.353 -20.215 135 2HH2 ARG 17 HH22 ARG 17 -7.797 -0.126 -18.785 136 H ARG 18 HN ARG 18 0.647 -1.296 -22.977 137 HA ARG 18 HA ARG 18 0.939 1.510 -23.022 138 1HB ARG 18 HB2 ARG 18 1.664 -0.664 -24.956 139 2HB ARG 18 HB1 ARG 18 1.897 1.026 -25.381 140 1HG ARG 18 HG2 ARG 18 3.075 -0.321 -22.964 141 2HG ARG 18 HG1 ARG 18 3.923 -0.036 -24.483 142 1HD ARG 18 HD2 ARG 18 2.656 2.216 -22.956 143 2HD ARG 18 HD1 ARG 18 4.265 1.629 -22.544 144 HE ARG 18 HE ARG 18 5.086 2.556 -24.494 145 1HH1 ARG 18 HH11 ARG 18 1.630 2.870 -24.442 146 2HH1 ARG 18 HH12 ARG 18 1.596 3.912 -25.816 147 1HH2 ARG 18 HH21 ARG 18 5.021 3.909 -26.272 148 2HH2 ARG 18 HH22 ARG 18 3.501 4.497 -26.844 Start of MODEL 12 1 1H ILE 1 HT1 ILE 1 9.454 5.024 1.309 2 2H ILE 1 HT2 ILE 1 9.182 4.615 2.928 3 3H ILE 1 HT3 ILE 1 9.188 6.240 2.457 4 HA ILE 1 HA ILE 1 6.950 5.162 2.858 5 HB ILE 1 HB ILE 1 7.177 7.325 1.801 6 1HG1 ILE 1 HG12 ILE 1 5.231 7.202 0.160 7 2HG1 ILE 1 HG11 ILE 1 5.242 5.462 0.432 8 1HG2 ILE 1 HG21 ILE 1 8.471 7.509 0.014 9 2HG2 ILE 1 HG22 ILE 1 7.103 6.924 -0.932 10 3HG2 ILE 1 HG23 ILE 1 8.327 5.792 -0.360 11 1HD1 ILE 1 HD11 ILE 1 4.105 7.561 2.029 12 2HD1 ILE 1 HD12 ILE 1 5.236 6.594 2.975 13 3HD1 ILE 1 HD13 ILE 1 3.889 5.815 2.145 14 HA PRO 2 HA PRO 2 6.630 1.258 0.714 15 1HB PRO 2 HB2 PRO 2 4.176 0.564 1.606 16 2HB PRO 2 HB1 PRO 2 5.618 0.499 2.625 17 1HG PRO 2 HG2 PRO 2 3.491 2.602 2.484 18 2HG PRO 2 HG1 PRO 2 4.264 1.886 3.911 19 1HD PRO 2 HD2 PRO 2 4.980 4.303 2.903 20 2HD PRO 2 HD1 PRO 2 6.124 3.228 3.731 21 H GLU 3 HN GLU 3 6.297 3.219 -1.131 22 HA GLU 3 HA GLU 3 3.655 3.247 -2.267 23 1HB GLU 3 HB2 GLU 3 6.319 4.124 -3.391 24 2HB GLU 3 HB1 GLU 3 4.775 4.383 -4.190 25 1HG GLU 3 HG2 GLU 3 4.022 5.771 -2.361 26 2HG GLU 3 HG1 GLU 3 5.514 5.456 -1.478 27 H SER 4 HN SER 4 4.183 0.632 -1.943 28 HA SER 4 HA SER 4 5.336 -0.596 -4.267 29 1HB SER 4 HB2 SER 4 4.454 -2.709 -3.287 30 2HB SER 4 HB1 SER 4 5.408 -1.767 -2.142 31 HG SER 4 HG SER 4 3.720 -1.721 -0.908 32 H SER 5 HN SER 5 2.026 -0.024 -3.136 33 HA SER 5 HA SER 5 0.729 -1.395 -5.236 34 1HB SER 5 HB2 SER 5 -1.212 0.203 -4.528 35 2HB SER 5 HB1 SER 5 -0.628 -1.033 -3.420 36 HG SER 5 HG SER 5 -0.305 1.769 -3.322 37 H GLU 6 HN GLU 6 1.571 2.015 -4.819 38 HA GLU 6 HA GLU 6 0.360 2.981 -7.164 39 1HB GLU 6 HB2 GLU 6 2.784 4.000 -5.666 40 2HB GLU 6 HB1 GLU 6 1.966 4.885 -6.943 41 1HG GLU 6 HG2 GLU 6 1.243 5.732 -4.825 42 2HG GLU 6 HG1 GLU 6 -0.098 4.871 -5.576 43 H LEU 7 HN LEU 7 3.540 1.633 -6.526 44 HA LEU 7 HA LEU 7 4.582 2.064 -9.140 45 1HB LEU 7 HB2 LEU 7 5.929 1.705 -7.054 46 2HB LEU 7 HB1 LEU 7 5.458 0.022 -7.104 47 HG LEU 7 HG LEU 7 6.579 -0.211 -9.297 48 1HD1 LEU 7 HD11 LEU 7 6.725 2.670 -9.051 49 2HD1 LEU 7 HD12 LEU 7 6.954 1.644 -10.467 50 3HD1 LEU 7 HD13 LEU 7 8.304 1.955 -9.375 51 1HD2 LEU 7 HD21 LEU 7 8.494 0.941 -7.290 52 2HD2 LEU 7 HD22 LEU 7 8.758 -0.377 -8.432 53 3HD2 LEU 7 HD23 LEU 7 7.692 -0.611 -7.046 54 H THR 8 HN THR 8 3.240 -0.805 -7.472 55 HA THR 8 HA THR 8 3.534 -2.549 -9.680 56 HB THR 8 HB THR 8 1.707 -3.913 -8.543 57 HG1 THR 8 HG1 THR 8 2.117 -2.144 -6.363 58 1HG2 THR 8 HG21 THR 8 3.665 -4.819 -7.910 59 2HG2 THR 8 HG22 THR 8 3.357 -4.007 -6.375 60 3HG2 THR 8 HG23 THR 8 4.397 -3.249 -7.581 61 H LEU 9 HN LEU 9 0.658 -0.721 -8.583 62 HA LEU 9 HA LEU 9 -1.076 -1.606 -10.609 63 1HB LEU 9 HB2 LEU 9 -1.948 -0.465 -8.688 64 2HB LEU 9 HB1 LEU 9 -1.018 0.976 -9.056 65 HG LEU 9 HG LEU 9 -2.364 1.213 -11.159 66 1HD1 LEU 9 HD11 LEU 9 -4.264 -0.060 -11.568 67 2HD1 LEU 9 HD12 LEU 9 -4.317 -0.692 -9.922 68 3HD1 LEU 9 HD13 LEU 9 -3.078 -1.256 -11.044 69 1HD2 LEU 9 HD21 LEU 9 -3.298 2.728 -9.820 70 2HD2 LEU 9 HD22 LEU 9 -3.189 1.667 -8.416 71 3HD2 LEU 9 HD23 LEU 9 -4.563 1.538 -9.513 72 H GLN 10 HN GLN 10 1.042 1.247 -10.500 73 HA GLN 10 HA GLN 10 0.292 2.288 -13.012 74 1HB GLN 10 HB2 GLN 10 1.455 3.602 -11.292 75 2HB GLN 10 HB1 GLN 10 2.892 2.615 -11.509 76 1HG GLN 10 HG2 GLN 10 3.069 3.407 -13.824 77 2HG GLN 10 HG1 GLN 10 1.651 4.423 -13.570 78 1HE2 GLN 10 HE21 GLN 10 3.241 4.370 -10.711 79 2HE2 GLN 10 HE22 GLN 10 4.216 5.783 -10.897 80 H GLU 11 HN GLU 11 2.904 0.068 -12.051 81 HA GLU 11 HA GLU 11 4.136 -0.040 -14.589 82 1HB GLU 11 HB2 GLU 11 5.166 -0.832 -12.444 83 2HB GLU 11 HB1 GLU 11 4.136 -2.257 -12.542 84 1HG GLU 11 HG2 GLU 11 6.399 -2.672 -13.394 85 2HG GLU 11 HG1 GLU 11 5.159 -2.904 -14.629 86 H LEU 12 HN LEU 12 1.523 -1.977 -13.173 87 HA LEU 12 HA LEU 12 1.323 -3.976 -15.104 88 1HB LEU 12 HB2 LEU 12 -0.933 -2.625 -13.620 89 2HB LEU 12 HB1 LEU 12 -1.045 -4.161 -14.460 90 HG LEU 12 HG LEU 12 0.669 -3.581 -12.055 91 1HD1 LEU 12 HD11 LEU 12 -1.937 -5.027 -12.420 92 2HD1 LEU 12 HD12 LEU 12 -1.554 -3.710 -11.311 93 3HD1 LEU 12 HD13 LEU 12 -0.885 -5.319 -11.035 94 1HD2 LEU 12 HD21 LEU 12 1.629 -5.229 -13.671 95 2HD2 LEU 12 HD22 LEU 12 0.196 -6.225 -13.420 96 3HD2 LEU 12 HD23 LEU 12 1.283 -5.890 -12.073 97 H LEU 13 HN LEU 13 0.268 -0.648 -15.203 98 HA LEU 13 HA LEU 13 -0.685 -1.103 -17.959 99 1HB LEU 13 HB2 LEU 13 -1.846 1.221 -17.485 100 2HB LEU 13 HB1 LEU 13 -2.601 -0.294 -17.037 101 HG LEU 13 HG LEU 13 -1.421 0.137 -14.730 102 1HD1 LEU 13 HD11 LEU 13 -1.780 2.818 -14.547 103 2HD1 LEU 13 HD12 LEU 13 -1.083 2.675 -16.161 104 3HD1 LEU 13 HD13 LEU 13 -0.218 2.029 -14.766 105 1HD2 LEU 13 HD21 LEU 13 -3.667 0.045 -14.504 106 2HD2 LEU 13 HD22 LEU 13 -3.961 1.123 -15.868 107 3HD2 LEU 13 HD23 LEU 13 -3.486 1.787 -14.305 108 H GLY 14 HN GLY 14 2.031 -0.693 -17.122 109 1HA GLY 14 HA2 GLY 14 2.586 1.892 -18.454 110 2HA GLY 14 HA1 GLY 14 3.570 1.266 -17.140 111 H GLU 15 HN GLU 15 5.230 -0.113 -17.585 112 HA GLU 15 HA GLU 15 6.011 -0.400 -20.341 113 1HB GLU 15 HB2 GLU 15 7.684 -0.050 -18.589 114 2HB GLU 15 HB1 GLU 15 7.223 -1.560 -17.822 115 1HG GLU 15 HG2 GLU 15 9.266 -1.878 -19.026 116 2HG GLU 15 HG1 GLU 15 7.983 -2.775 -19.831 117 H GLU 16 HN GLU 16 4.550 -2.469 -17.918 118 HA GLU 16 HA GLU 16 4.899 -4.939 -19.235 119 1HB GLU 16 HB2 GLU 16 2.844 -4.003 -17.239 120 2HB GLU 16 HB1 GLU 16 2.915 -5.657 -17.829 121 1HG GLU 16 HG2 GLU 16 5.203 -4.261 -16.463 122 2HG GLU 16 HG1 GLU 16 4.026 -5.276 -15.633 123 H ARG 17 HN ARG 17 2.709 -2.326 -19.894 124 HA ARG 17 HA ARG 17 1.433 -3.996 -21.954 125 1HB ARG 17 HB2 ARG 17 0.067 -2.175 -19.988 126 2HB ARG 17 HB1 ARG 17 -0.694 -2.653 -21.499 127 1HG ARG 17 HG2 ARG 17 -0.612 -4.976 -20.854 128 2HG ARG 17 HG1 ARG 17 0.272 -4.565 -19.383 129 1HD ARG 17 HD2 ARG 17 -2.120 -4.950 -18.957 130 2HD ARG 17 HD1 ARG 17 -1.622 -3.310 -18.551 131 HE ARG 17 HE ARG 17 -3.094 -2.542 -20.106 132 1HH1 ARG 17 HH11 ARG 17 -2.426 -5.856 -20.805 133 2HH1 ARG 17 HH12 ARG 17 -3.581 -5.946 -22.087 134 1HH2 ARG 17 HH21 ARG 17 -4.598 -2.651 -21.763 135 2HH2 ARG 17 HH22 ARG 17 -4.812 -4.131 -22.628 136 H ARG 18 HN ARG 18 3.555 -2.337 -22.606 137 HA ARG 18 HA ARG 18 2.228 -0.025 -23.846 138 1HB ARG 18 HB2 ARG 18 4.620 0.793 -24.257 139 2HB ARG 18 HB1 ARG 18 3.990 0.862 -22.624 140 1HG ARG 18 HG2 ARG 18 6.200 0.121 -22.420 141 2HG ARG 18 HG1 ARG 18 5.209 -1.319 -22.205 142 1HD ARG 18 HD2 ARG 18 6.222 -0.658 -24.930 143 2HD ARG 18 HD1 ARG 18 7.339 -1.341 -23.749 144 HE ARG 18 HE ARG 18 4.991 -2.655 -24.922 145 1HH1 ARG 18 HH11 ARG 18 7.742 -2.794 -22.759 146 2HH1 ARG 18 HH12 ARG 18 7.654 -4.528 -22.625 147 1HH2 ARG 18 HH21 ARG 18 4.902 -4.861 -24.692 148 2HH2 ARG 18 HH22 ARG 18 6.058 -5.688 -23.708 Start of MODEL 13 1 1H ILE 1 HT1 ILE 1 7.536 4.730 3.298 2 2H ILE 1 HT2 ILE 1 7.715 6.400 3.104 3 3H ILE 1 HT3 ILE 1 8.212 5.346 1.862 4 HA ILE 1 HA ILE 1 5.398 5.479 2.802 5 HB ILE 1 HB ILE 1 4.925 6.950 0.870 6 1HG1 ILE 1 HG12 ILE 1 7.932 7.262 0.697 7 2HG1 ILE 1 HG11 ILE 1 6.940 6.384 -0.461 8 1HG2 ILE 1 HG21 ILE 1 6.508 8.905 1.985 9 2HG2 ILE 1 HG22 ILE 1 6.375 7.709 3.275 10 3HG2 ILE 1 HG23 ILE 1 4.918 8.402 2.561 11 1HD1 ILE 1 HD11 ILE 1 5.870 8.378 -1.175 12 2HD1 ILE 1 HD12 ILE 1 7.606 8.689 -1.150 13 3HD1 ILE 1 HD13 ILE 1 6.581 9.304 0.146 14 HA PRO 2 HA PRO 2 4.677 2.256 -0.155 15 1HB PRO 2 HB2 PRO 2 2.715 3.116 -1.839 16 2HB PRO 2 HB1 PRO 2 2.419 2.643 -0.163 17 1HG PRO 2 HG2 PRO 2 2.745 5.379 -1.331 18 2HG PRO 2 HG1 PRO 2 1.579 4.809 -0.124 19 1HD PRO 2 HD2 PRO 2 3.791 6.196 0.552 20 2HD PRO 2 HD1 PRO 2 3.099 4.941 1.598 21 H GLU 3 HN GLU 3 6.932 3.600 -0.889 22 HA GLU 3 HA GLU 3 7.105 4.664 -3.455 23 1HB GLU 3 HB2 GLU 3 9.141 3.049 -1.917 24 2HB GLU 3 HB1 GLU 3 9.500 4.024 -3.336 25 1HG GLU 3 HG2 GLU 3 9.645 5.880 -2.131 26 2HG GLU 3 HG1 GLU 3 8.110 5.564 -1.325 27 H SER 4 HN SER 4 7.620 1.310 -2.459 28 HA SER 4 HA SER 4 8.060 0.318 -5.085 29 1HB SER 4 HB2 SER 4 7.772 -1.922 -4.043 30 2HB SER 4 HB1 SER 4 8.900 -0.897 -3.157 31 HG SER 4 HG SER 4 6.790 -2.109 -2.201 32 H SER 5 HN SER 5 5.204 0.457 -3.009 33 HA SER 5 HA SER 5 3.490 -1.063 -4.651 34 1HB SER 5 HB2 SER 5 2.986 -0.581 -2.313 35 2HB SER 5 HB1 SER 5 2.770 1.122 -2.705 36 HG SER 5 HG SER 5 0.960 0.626 -3.872 37 H GLU 6 HN GLU 6 4.098 2.446 -4.545 38 HA GLU 6 HA GLU 6 2.069 3.287 -6.260 39 1HB GLU 6 HB2 GLU 6 3.801 4.661 -4.933 40 2HB GLU 6 HB1 GLU 6 4.841 4.457 -6.332 41 1HG GLU 6 HG2 GLU 6 3.764 6.570 -6.507 42 2HG GLU 6 HG1 GLU 6 3.076 5.503 -7.730 43 H LEU 7 HN LEU 7 5.241 1.983 -6.972 44 HA LEU 7 HA LEU 7 5.278 2.386 -9.757 45 1HB LEU 7 HB2 LEU 7 7.206 1.787 -8.261 46 2HB LEU 7 HB1 LEU 7 6.597 0.150 -8.233 47 HG LEU 7 HG LEU 7 6.893 0.014 -10.687 48 1HD1 LEU 7 HD11 LEU 7 8.281 1.745 -11.786 49 2HD1 LEU 7 HD12 LEU 7 8.124 2.743 -10.341 50 3HD1 LEU 7 HD13 LEU 7 6.694 2.334 -11.289 51 1HD2 LEU 7 HD21 LEU 7 8.627 -0.856 -9.265 52 2HD2 LEU 7 HD22 LEU 7 9.329 0.750 -9.072 53 3HD2 LEU 7 HD23 LEU 7 9.369 -0.047 -10.645 54 H THR 8 HN THR 8 4.208 -0.395 -7.800 55 HA THR 8 HA THR 8 3.783 -2.274 -9.773 56 HB THR 8 HB THR 8 2.152 -3.349 -8.381 57 HG1 THR 8 HG1 THR 8 2.043 -0.924 -6.872 58 1HG2 THR 8 HG21 THR 8 3.371 -3.492 -6.279 59 2HG2 THR 8 HG22 THR 8 4.215 -1.989 -6.652 60 3HG2 THR 8 HG23 THR 8 4.492 -3.424 -7.639 61 H LEU 9 HN LEU 9 1.473 0.239 -8.793 62 HA LEU 9 HA LEU 9 -0.666 -0.507 -10.427 63 1HB LEU 9 HB2 LEU 9 -0.912 1.134 -8.670 64 2HB LEU 9 HB1 LEU 9 0.202 2.221 -9.476 65 HG LEU 9 HG LEU 9 -1.452 2.360 -11.371 66 1HD1 LEU 9 HD11 LEU 9 -3.209 1.016 -11.408 67 2HD1 LEU 9 HD12 LEU 9 -3.783 1.718 -9.895 68 3HD1 LEU 9 HD13 LEU 9 -2.717 0.313 -9.868 69 1HD2 LEU 9 HD21 LEU 9 -1.207 4.111 -9.677 70 2HD2 LEU 9 HD22 LEU 9 -2.397 3.292 -8.664 71 3HD2 LEU 9 HD23 LEU 9 -2.877 3.958 -10.225 72 H GLN 10 HN GLN 10 1.921 1.850 -11.089 73 HA GLN 10 HA GLN 10 1.100 2.526 -13.687 74 1HB GLN 10 HB2 GLN 10 2.783 3.701 -12.145 75 2HB GLN 10 HB1 GLN 10 3.963 2.558 -12.764 76 1HG GLN 10 HG2 GLN 10 4.167 4.575 -14.004 77 2HG GLN 10 HG1 GLN 10 3.445 3.362 -15.060 78 1HE2 GLN 10 HE21 GLN 10 1.807 4.056 -16.222 79 2HE2 GLN 10 HE22 GLN 10 0.741 5.352 -15.815 80 H GLU 11 HN GLU 11 3.265 -0.024 -12.510 81 HA GLU 11 HA GLU 11 4.240 -0.875 -15.025 82 1HB GLU 11 HB2 GLU 11 3.869 -2.439 -12.465 83 2HB GLU 11 HB1 GLU 11 4.777 -3.008 -13.858 84 1HG GLU 11 HG2 GLU 11 6.296 -1.078 -13.604 85 2HG GLU 11 HG1 GLU 11 5.419 -0.622 -12.143 86 H LEU 12 HN LEU 12 1.469 -2.027 -13.099 87 HA LEU 12 HA LEU 12 0.672 -4.126 -14.766 88 1HB LEU 12 HB2 LEU 12 -1.078 -2.298 -13.119 89 2HB LEU 12 HB1 LEU 12 -1.564 -3.851 -13.771 90 HG LEU 12 HG LEU 12 0.612 -3.433 -11.724 91 1HD1 LEU 12 HD11 LEU 12 -0.900 -3.683 -10.101 92 2HD1 LEU 12 HD12 LEU 12 -1.751 -4.962 -10.968 93 3HD1 LEU 12 HD13 LEU 12 -2.096 -3.271 -11.329 94 1HD2 LEU 12 HD21 LEU 12 0.683 -5.823 -11.541 95 2HD2 LEU 12 HD22 LEU 12 0.912 -5.391 -13.236 96 3HD2 LEU 12 HD23 LEU 12 -0.649 -5.998 -12.684 97 H LEU 13 HN LEU 13 -0.229 -0.702 -14.854 98 HA LEU 13 HA LEU 13 -1.749 -1.121 -17.302 99 1HB LEU 13 HB2 LEU 13 -1.363 1.252 -15.502 100 2HB LEU 13 HB1 LEU 13 -2.115 1.408 -17.078 101 HG LEU 13 HG LEU 13 -3.720 -0.439 -16.258 102 1HD1 LEU 13 HD11 LEU 13 -2.421 -1.018 -14.249 103 2HD1 LEU 13 HD12 LEU 13 -4.080 -0.549 -13.877 104 3HD1 LEU 13 HD13 LEU 13 -2.759 0.584 -13.593 105 1HD2 LEU 13 HD21 LEU 13 -4.163 2.042 -16.614 106 2HD2 LEU 13 HD22 LEU 13 -3.978 2.210 -14.868 107 3HD2 LEU 13 HD23 LEU 13 -5.252 1.182 -15.525 108 H GLY 14 HN GLY 14 0.935 -1.690 -17.609 109 1HA GLY 14 HA2 GLY 14 1.584 0.128 -19.761 110 2HA GLY 14 HA1 GLY 14 2.715 0.195 -18.421 111 H GLU 15 HN GLU 15 3.160 -2.328 -17.679 112 HA GLU 15 HA GLU 15 4.736 -3.347 -19.826 113 1HB GLU 15 HB2 GLU 15 4.104 -4.480 -17.102 114 2HB GLU 15 HB1 GLU 15 5.254 -5.201 -18.223 115 1HG GLU 15 HG2 GLU 15 5.426 -2.487 -16.933 116 2HG GLU 15 HG1 GLU 15 6.461 -3.885 -16.634 117 H GLU 16 HN GLU 16 1.800 -4.596 -18.232 118 HA GLU 16 HA GLU 16 1.625 -6.902 -19.891 119 1HB GLU 16 HB2 GLU 16 -0.437 -5.505 -18.180 120 2HB GLU 16 HB1 GLU 16 -0.743 -7.012 -19.030 121 1HG GLU 16 HG2 GLU 16 1.441 -6.651 -16.993 122 2HG GLU 16 HG1 GLU 16 -0.169 -7.258 -16.617 123 H ARG 17 HN ARG 17 0.426 -3.621 -20.152 124 HA ARG 17 HA ARG 17 -1.297 -4.184 -22.388 125 1HB ARG 17 HB2 ARG 17 -0.423 -1.648 -21.029 126 2HB ARG 17 HB1 ARG 17 -1.368 -1.619 -22.512 127 1HG ARG 17 HG2 ARG 17 -3.159 -2.840 -21.430 128 2HG ARG 17 HG1 ARG 17 -2.204 -2.971 -19.952 129 1HD ARG 17 HD2 ARG 17 -2.299 -0.619 -19.588 130 2HD ARG 17 HD1 ARG 17 -2.978 -0.335 -21.188 131 HE ARG 17 HE ARG 17 -5.034 -0.702 -20.300 132 1HH1 ARG 17 HH11 ARG 17 -2.723 -2.228 -18.205 133 2HH1 ARG 17 HH12 ARG 17 -3.926 -2.774 -17.094 134 1HH2 ARG 17 HH21 ARG 17 -6.578 -1.408 -18.842 135 2HH2 ARG 17 HH22 ARG 17 -6.095 -2.307 -17.448 136 H ARG 18 HN ARG 18 1.842 -2.524 -21.985 137 HA ARG 18 HA ARG 18 3.517 -2.036 -23.430 138 1HB ARG 18 HB2 ARG 18 2.278 -4.413 -24.756 139 2HB ARG 18 HB1 ARG 18 3.563 -3.537 -25.573 140 1HG ARG 18 HG2 ARG 18 3.947 -4.451 -22.756 141 2HG ARG 18 HG1 ARG 18 4.132 -5.589 -24.089 142 1HD ARG 18 HD2 ARG 18 6.290 -4.793 -23.786 143 2HD ARG 18 HD1 ARG 18 5.686 -3.799 -25.107 144 HE ARG 18 HE ARG 18 5.774 -1.957 -23.732 145 1HH1 ARG 18 HH11 ARG 18 6.295 -4.820 -21.860 146 2HH1 ARG 18 HH12 ARG 18 6.810 -3.951 -20.438 147 1HH2 ARG 18 HH21 ARG 18 6.386 -0.837 -21.870 148 2HH2 ARG 18 HH22 ARG 18 6.794 -1.717 -20.421 Start of MODEL 14 1 1H ILE 1 HT1 ILE 1 6.312 6.178 3.670 2 2H ILE 1 HT2 ILE 1 7.059 5.418 4.986 3 3H ILE 1 HT3 ILE 1 5.375 5.573 4.944 4 HA ILE 1 HA ILE 1 6.748 3.387 4.184 5 HB ILE 1 HB ILE 1 4.635 2.675 3.065 6 1HG1 ILE 1 HG12 ILE 1 3.706 5.478 3.739 7 2HG1 ILE 1 HG11 ILE 1 4.033 4.886 2.114 8 1HG2 ILE 1 HG21 ILE 1 4.609 3.929 5.785 9 2HG2 ILE 1 HG22 ILE 1 4.715 2.225 5.346 10 3HG2 ILE 1 HG23 ILE 1 3.192 3.092 5.152 11 1HD1 ILE 1 HD11 ILE 1 1.673 4.866 2.500 12 2HD1 ILE 1 HD12 ILE 1 1.879 3.938 3.987 13 3HD1 ILE 1 HD13 ILE 1 2.248 3.199 2.428 14 HA PRO 2 HA PRO 2 8.464 4.007 0.158 15 1HB PRO 2 HB2 PRO 2 8.045 1.136 -0.338 16 2HB PRO 2 HB1 PRO 2 9.551 2.051 -0.241 17 1HG PRO 2 HG2 PRO 2 8.822 0.334 1.688 18 2HG PRO 2 HG1 PRO 2 9.689 1.836 2.054 19 1HD PRO 2 HD2 PRO 2 6.770 1.217 2.328 20 2HD PRO 2 HD1 PRO 2 7.840 2.108 3.432 21 H GLU 3 HN GLU 3 7.683 4.601 -1.769 22 HA GLU 3 HA GLU 3 4.927 4.235 -2.430 23 1HB GLU 3 HB2 GLU 3 7.219 5.401 -4.020 24 2HB GLU 3 HB1 GLU 3 5.540 5.455 -4.527 25 1HG GLU 3 HG2 GLU 3 6.183 7.570 -3.580 26 2HG GLU 3 HG1 GLU 3 4.996 6.789 -2.539 27 H SER 4 HN SER 4 5.787 1.686 -2.259 28 HA SER 4 HA SER 4 6.778 0.543 -4.654 29 1HB SER 4 HB2 SER 4 5.997 -1.612 -3.705 30 2HB SER 4 HB1 SER 4 6.925 -0.660 -2.548 31 HG SER 4 HG SER 4 4.949 -1.593 -1.708 32 H SER 5 HN SER 5 3.548 1.387 -3.627 33 HA SER 5 HA SER 5 2.096 -0.188 -5.446 34 1HB SER 5 HB2 SER 5 0.274 1.502 -5.071 35 2HB SER 5 HB1 SER 5 0.965 0.794 -3.617 36 HG SER 5 HG SER 5 0.683 3.287 -3.986 37 H GLU 6 HN GLU 6 3.312 3.149 -5.758 38 HA GLU 6 HA GLU 6 2.176 3.665 -8.278 39 1HB GLU 6 HB2 GLU 6 4.706 4.762 -7.039 40 2HB GLU 6 HB1 GLU 6 3.954 5.401 -8.495 41 1HG GLU 6 HG2 GLU 6 1.925 5.903 -7.194 42 2HG GLU 6 HG1 GLU 6 2.746 5.335 -5.740 43 H LEU 7 HN LEU 7 5.320 2.306 -7.370 44 HA LEU 7 HA LEU 7 6.287 2.019 -10.020 45 1HB LEU 7 HB2 LEU 7 7.093 0.912 -7.364 46 2HB LEU 7 HB1 LEU 7 7.786 0.229 -8.821 47 HG LEU 7 HG LEU 7 9.306 1.863 -7.947 48 1HD1 LEU 7 HD11 LEU 7 7.951 3.214 -10.260 49 2HD1 LEU 7 HD12 LEU 7 8.877 1.723 -10.438 50 3HD1 LEU 7 HD13 LEU 7 9.667 3.187 -9.852 51 1HD2 LEU 7 HD21 LEU 7 6.887 3.622 -7.827 52 2HD2 LEU 7 HD22 LEU 7 8.505 4.315 -7.939 53 3HD2 LEU 7 HD23 LEU 7 8.082 3.278 -6.576 54 H THR 8 HN THR 8 4.576 -0.242 -7.821 55 HA THR 8 HA THR 8 4.773 -2.455 -9.608 56 HB THR 8 HB THR 8 2.771 -3.350 -8.288 57 HG1 THR 8 HG1 THR 8 3.386 -1.264 -6.472 58 1HG2 THR 8 HG21 THR 8 4.543 -4.358 -7.366 59 2HG2 THR 8 HG22 THR 8 4.432 -3.137 -6.098 60 3HG2 THR 8 HG23 THR 8 5.525 -2.896 -7.461 61 H LEU 9 HN LEU 9 2.276 0.011 -9.089 62 HA LEU 9 HA LEU 9 0.380 -1.006 -10.905 63 1HB LEU 9 HB2 LEU 9 -0.197 0.714 -9.303 64 2HB LEU 9 HB1 LEU 9 0.949 1.825 -10.030 65 HG LEU 9 HG LEU 9 -0.427 1.749 -12.126 66 1HD1 LEU 9 HD11 LEU 9 -2.656 0.650 -10.470 67 2HD1 LEU 9 HD12 LEU 9 -1.552 -0.445 -11.302 68 3HD1 LEU 9 HD13 LEU 9 -2.490 0.728 -12.225 69 1HD2 LEU 9 HD21 LEU 9 -1.928 2.707 -9.696 70 2HD2 LEU 9 HD22 LEU 9 -2.027 3.338 -11.340 71 3HD2 LEU 9 HD23 LEU 9 -0.549 3.549 -10.402 72 H GLN 10 HN GLN 10 3.002 1.370 -11.344 73 HA GLN 10 HA GLN 10 2.523 1.969 -14.035 74 1HB GLN 10 HB2 GLN 10 4.025 3.300 -12.656 75 2HB GLN 10 HB1 GLN 10 5.138 1.948 -12.522 76 1HG GLN 10 HG2 GLN 10 5.690 2.078 -14.840 77 2HG GLN 10 HG1 GLN 10 4.413 3.257 -15.130 78 1HE2 GLN 10 HE21 GLN 10 5.228 5.184 -15.484 79 2HE2 GLN 10 HE22 GLN 10 6.577 5.886 -14.668 80 H GLU 11 HN GLU 11 4.443 -0.657 -12.587 81 HA GLU 11 HA GLU 11 5.494 -1.617 -15.048 82 1HB GLU 11 HB2 GLU 11 6.469 -2.271 -12.899 83 2HB GLU 11 HB1 GLU 11 5.001 -3.140 -12.480 84 1HG GLU 11 HG2 GLU 11 5.368 -4.668 -14.346 85 2HG GLU 11 HG1 GLU 11 6.826 -3.786 -14.789 86 H LEU 12 HN LEU 12 2.638 -2.532 -13.140 87 HA LEU 12 HA LEU 12 1.722 -4.609 -14.790 88 1HB LEU 12 HB2 LEU 12 0.113 -2.670 -13.122 89 2HB LEU 12 HB1 LEU 12 -0.498 -4.171 -13.791 90 HG LEU 12 HG LEU 12 1.700 -3.940 -11.735 91 1HD1 LEU 12 HD11 LEU 12 -0.307 -5.327 -10.563 92 2HD1 LEU 12 HD12 LEU 12 -1.220 -4.188 -11.552 93 3HD1 LEU 12 HD13 LEU 12 -0.052 -3.592 -10.373 94 1HD2 LEU 12 HD21 LEU 12 2.077 -6.145 -11.927 95 2HD2 LEU 12 HD22 LEU 12 1.373 -5.951 -13.532 96 3HD2 LEU 12 HD23 LEU 12 0.373 -6.515 -12.193 97 H LEU 13 HN LEU 13 0.921 -1.139 -14.796 98 HA LEU 13 HA LEU 13 -0.842 -1.168 -16.987 99 1HB LEU 13 HB2 LEU 13 1.009 1.047 -16.092 100 2HB LEU 13 HB1 LEU 13 -0.346 1.239 -17.188 101 HG LEU 13 HG LEU 13 -0.521 0.448 -14.280 102 1HD1 LEU 13 HD11 LEU 13 -0.117 2.693 -14.167 103 2HD1 LEU 13 HD12 LEU 13 -1.869 2.703 -14.368 104 3HD1 LEU 13 HD13 LEU 13 -0.821 3.014 -15.752 105 1HD2 LEU 13 HD21 LEU 13 -3.020 1.237 -15.244 106 2HD2 LEU 13 HD22 LEU 13 -2.517 -0.387 -14.775 107 3HD2 LEU 13 HD23 LEU 13 -2.376 0.129 -16.456 108 H GLY 14 HN GLY 14 2.662 -0.833 -16.815 109 1HA GLY 14 HA2 GLY 14 3.132 -0.269 -19.543 110 2HA GLY 14 HA1 GLY 14 4.303 -0.939 -18.416 111 H GLU 15 HN GLU 15 2.930 -3.333 -17.756 112 HA GLU 15 HA GLU 15 3.666 -4.932 -20.025 113 1HB GLU 15 HB2 GLU 15 3.999 -5.722 -17.727 114 2HB GLU 15 HB1 GLU 15 2.265 -5.697 -17.451 115 1HG GLU 15 HG2 GLU 15 2.918 -7.951 -17.811 116 2HG GLU 15 HG1 GLU 15 2.020 -7.419 -19.229 117 H GLU 16 HN GLU 16 0.553 -4.001 -18.568 118 HA GLU 16 HA GLU 16 -0.958 -5.611 -20.405 119 1HB GLU 16 HB2 GLU 16 -2.941 -4.575 -19.407 120 2HB GLU 16 HB1 GLU 16 -1.836 -5.178 -18.181 121 1HG GLU 16 HG2 GLU 16 -1.051 -2.950 -17.727 122 2HG GLU 16 HG1 GLU 16 -2.019 -2.304 -19.049 123 H ARG 17 HN ARG 17 -0.100 -2.151 -20.274 124 HA ARG 17 HA ARG 17 -1.411 -1.898 -22.912 125 1HB ARG 17 HB2 ARG 17 -1.453 -0.090 -20.548 126 2HB ARG 17 HB1 ARG 17 -1.529 0.627 -22.153 127 1HG ARG 17 HG2 ARG 17 -3.524 -0.571 -22.676 128 2HG ARG 17 HG1 ARG 17 -3.392 -1.535 -21.205 129 1HD ARG 17 HD2 ARG 17 -3.523 1.423 -20.939 130 2HD ARG 17 HD1 ARG 17 -5.000 0.562 -21.366 131 HE ARG 17 HE ARG 17 -3.817 -0.726 -19.170 132 1HH1 ARG 17 HH11 ARG 17 -5.334 2.303 -19.901 133 2HH1 ARG 17 HH12 ARG 17 -6.012 2.469 -18.322 134 1HH2 ARG 17 HH21 ARG 17 -4.673 -0.534 -17.168 135 2HH2 ARG 17 HH22 ARG 17 -5.641 0.864 -16.764 136 H ARG 18 HN ARG 18 1.047 -2.690 -23.227 137 HA ARG 18 HA ARG 18 2.807 -0.367 -23.497 138 1HB ARG 18 HB2 ARG 18 4.465 -2.143 -24.310 139 2HB ARG 18 HB1 ARG 18 4.005 -2.167 -22.615 140 1HG ARG 18 HG2 ARG 18 2.379 -3.961 -23.124 141 2HG ARG 18 HG1 ARG 18 2.974 -3.981 -24.781 142 1HD ARG 18 HD2 ARG 18 3.998 -5.735 -23.390 143 2HD ARG 18 HD1 ARG 18 5.185 -4.595 -24.024 144 HE ARG 18 HE ARG 18 4.479 -3.622 -21.551 145 1HH1 ARG 18 HH11 ARG 18 5.781 -6.591 -22.749 146 2HH1 ARG 18 HH12 ARG 18 6.655 -6.929 -21.299 147 1HH2 ARG 18 HH21 ARG 18 5.659 -4.044 -19.694 148 2HH2 ARG 18 HH22 ARG 18 6.590 -5.495 -19.579 Start of MODEL 15 1 1H ILE 1 HT1 ILE 1 1.681 10.793 0.048 2 2H ILE 1 HT2 ILE 1 2.108 9.606 -1.096 3 3H ILE 1 HT3 ILE 1 3.275 10.704 -0.518 4 HA ILE 1 HA ILE 1 3.488 9.695 1.509 5 HB ILE 1 HB ILE 1 1.788 8.156 2.445 6 1HG1 ILE 1 HG12 ILE 1 0.110 8.968 0.060 7 2HG1 ILE 1 HG11 ILE 1 0.844 7.383 0.283 8 1HG2 ILE 1 HG21 ILE 1 -0.020 9.930 2.732 9 2HG2 ILE 1 HG22 ILE 1 0.964 10.934 1.666 10 3HG2 ILE 1 HG23 ILE 1 1.624 10.366 3.200 11 1HD1 ILE 1 HD11 ILE 1 -0.496 7.134 2.363 12 2HD1 ILE 1 HD12 ILE 1 -1.456 7.246 0.887 13 3HD1 ILE 1 HD13 ILE 1 -1.313 8.643 1.955 14 HA PRO 2 HA PRO 2 5.290 5.849 0.134 15 1HB PRO 2 HB2 PRO 2 3.857 4.023 1.950 16 2HB PRO 2 HB1 PRO 2 5.582 4.390 1.853 17 1HG PRO 2 HG2 PRO 2 4.084 5.270 3.888 18 2HG PRO 2 HG1 PRO 2 5.396 6.252 3.210 19 1HD PRO 2 HD2 PRO 2 2.442 6.462 2.748 20 2HD PRO 2 HD1 PRO 2 3.631 7.752 3.021 21 H GLU 3 HN GLU 3 3.218 6.446 -1.524 22 HA GLU 3 HA GLU 3 1.430 4.235 -1.949 23 1HB GLU 3 HB2 GLU 3 2.120 6.669 -3.605 24 2HB GLU 3 HB1 GLU 3 0.891 5.499 -4.066 25 1HG GLU 3 HG2 GLU 3 -0.611 6.356 -2.661 26 2HG GLU 3 HG1 GLU 3 0.555 6.478 -1.347 27 H SER 4 HN SER 4 3.786 3.010 -1.857 28 HA SER 4 HA SER 4 5.237 2.797 -4.271 29 1HB SER 4 HB2 SER 4 6.189 0.744 -3.306 30 2HB SER 4 HB1 SER 4 6.165 2.060 -2.132 31 HG SER 4 HG SER 4 5.289 -0.257 -1.657 32 H SER 5 HN SER 5 2.434 1.008 -3.071 33 HA SER 5 HA SER 5 2.402 -1.088 -4.906 34 1HB SER 5 HB2 SER 5 -0.061 -1.173 -4.462 35 2HB SER 5 HB1 SER 5 0.943 -1.126 -3.016 36 HG SER 5 HG SER 5 -1.020 0.385 -3.343 37 H GLU 6 HN GLU 6 1.188 2.198 -5.231 38 HA GLU 6 HA GLU 6 -0.193 1.916 -7.668 39 1HB GLU 6 HB2 GLU 6 -0.340 3.904 -6.210 40 2HB GLU 6 HB1 GLU 6 1.329 4.295 -6.576 41 1HG GLU 6 HG2 GLU 6 0.700 4.562 -8.953 42 2HG GLU 6 HG1 GLU 6 -0.983 4.295 -8.498 43 H LEU 7 HN LEU 7 3.119 2.881 -6.922 44 HA LEU 7 HA LEU 7 4.035 3.135 -9.575 45 1HB LEU 7 HB2 LEU 7 5.385 2.801 -6.925 46 2HB LEU 7 HB1 LEU 7 6.329 2.694 -8.396 47 HG LEU 7 HG LEU 7 5.554 4.979 -9.013 48 1HD1 LEU 7 HD11 LEU 7 4.801 6.009 -6.529 49 2HD1 LEU 7 HD12 LEU 7 3.816 4.565 -6.763 50 3HD1 LEU 7 HD13 LEU 7 3.801 5.848 -7.973 51 1HD2 LEU 7 HD21 LEU 7 6.892 6.137 -7.212 52 2HD2 LEU 7 HD22 LEU 7 7.701 4.811 -8.046 53 3HD2 LEU 7 HD23 LEU 7 7.037 4.562 -6.432 54 H THR 8 HN THR 8 4.176 0.370 -7.280 55 HA THR 8 HA THR 8 5.673 -1.306 -9.008 56 HB THR 8 HB THR 8 4.797 -3.202 -7.655 57 HG1 THR 8 HG1 THR 8 2.725 -2.120 -7.186 58 1HG2 THR 8 HG21 THR 8 5.881 -0.802 -6.195 59 2HG2 THR 8 HG22 THR 8 6.795 -2.134 -6.902 60 3HG2 THR 8 HG23 THR 8 5.779 -2.414 -5.487 61 H LEU 9 HN LEU 9 2.168 -0.896 -8.585 62 HA LEU 9 HA LEU 9 1.381 -2.946 -10.371 63 1HB LEU 9 HB2 LEU 9 -0.191 -1.978 -8.808 64 2HB LEU 9 HB1 LEU 9 -0.001 -0.395 -9.538 65 HG LEU 9 HG LEU 9 -0.979 -1.344 -11.648 66 1HD1 LEU 9 HD11 LEU 9 -2.344 -3.416 -11.353 67 2HD1 LEU 9 HD12 LEU 9 -1.496 -3.687 -9.830 68 3HD1 LEU 9 HD13 LEU 9 -0.600 -3.676 -11.349 69 1HD2 LEU 9 HD21 LEU 9 -2.384 0.010 -10.340 70 2HD2 LEU 9 HD22 LEU 9 -2.560 -1.228 -9.097 71 3HD2 LEU 9 HD23 LEU 9 -3.321 -1.446 -10.672 72 H GLN 10 HN GLN 10 1.859 0.543 -10.805 73 HA GLN 10 HA GLN 10 1.202 0.699 -13.524 74 1HB GLN 10 HB2 GLN 10 1.456 2.642 -12.013 75 2HB GLN 10 HB1 GLN 10 3.190 2.370 -11.979 76 1HG GLN 10 HG2 GLN 10 2.735 4.149 -13.495 77 2HG GLN 10 HG1 GLN 10 3.242 2.744 -14.431 78 1HE2 GLN 10 HE21 GLN 10 1.053 5.184 -14.260 79 2HE2 GLN 10 HE22 GLN 10 -0.195 4.517 -15.249 80 H GLU 11 HN GLU 11 4.283 -0.016 -11.912 81 HA GLU 11 HA GLU 11 5.886 -0.010 -14.241 82 1HB GLU 11 HB2 GLU 11 6.791 0.083 -11.939 83 2HB GLU 11 HB1 GLU 11 6.300 -1.587 -11.694 84 1HG GLU 11 HG2 GLU 11 7.852 -2.361 -13.328 85 2HG GLU 11 HG1 GLU 11 8.225 -0.714 -13.833 86 H LEU 12 HN LEU 12 4.198 -2.655 -12.544 87 HA LEU 12 HA LEU 12 5.029 -4.750 -14.228 88 1HB LEU 12 HB2 LEU 12 2.429 -4.464 -12.716 89 2HB LEU 12 HB1 LEU 12 3.039 -5.956 -13.405 90 HG LEU 12 HG LEU 12 4.355 -4.387 -11.190 91 1HD1 LEU 12 HD11 LEU 12 2.939 -7.044 -11.085 92 2HD1 LEU 12 HD12 LEU 12 2.244 -5.512 -10.554 93 3HD1 LEU 12 HD13 LEU 12 3.660 -6.169 -9.734 94 1HD2 LEU 12 HD21 LEU 12 5.183 -7.144 -11.621 95 2HD2 LEU 12 HD22 LEU 12 6.156 -5.693 -11.380 96 3HD2 LEU 12 HD23 LEU 12 5.550 -6.092 -12.987 97 H LEU 13 HN LEU 13 2.144 -2.667 -14.357 98 HA LEU 13 HA LEU 13 1.035 -3.811 -16.700 99 1HB LEU 13 HB2 LEU 13 0.749 -1.012 -15.597 100 2HB LEU 13 HB1 LEU 13 -0.244 -1.691 -16.872 101 HG LEU 13 HG LEU 13 -0.120 -2.704 -14.029 102 1HD1 LEU 13 HD11 LEU 13 -1.374 -0.842 -13.735 103 2HD1 LEU 13 HD12 LEU 13 -2.643 -1.900 -14.352 104 3HD1 LEU 13 HD13 LEU 13 -1.847 -0.756 -15.432 105 1HD2 LEU 13 HD21 LEU 13 -1.492 -4.411 -14.601 106 2HD2 LEU 13 HD22 LEU 13 -0.697 -4.215 -16.163 107 3HD2 LEU 13 HD23 LEU 13 -2.281 -3.493 -15.884 108 H GLY 14 HN GLY 14 3.315 -1.178 -16.170 109 1HA GLY 14 HA2 GLY 14 3.477 -0.205 -18.803 110 2HA GLY 14 HA1 GLY 14 4.720 -0.036 -17.571 111 H GLU 15 HN GLU 15 5.451 -2.673 -17.119 112 HA GLU 15 HA GLU 15 7.145 -3.171 -19.345 113 1HB GLU 15 HB2 GLU 15 7.715 -3.869 -17.027 114 2HB GLU 15 HB1 GLU 15 6.443 -5.085 -17.106 115 1HG GLU 15 HG2 GLU 15 7.605 -6.113 -19.034 116 2HG GLU 15 HG1 GLU 15 8.909 -4.950 -18.827 117 H GLU 16 HN GLU 16 4.126 -4.659 -18.226 118 HA GLU 16 HA GLU 16 4.014 -6.720 -20.152 119 1HB GLU 16 HB2 GLU 16 1.971 -5.346 -18.440 120 2HB GLU 16 HB1 GLU 16 1.451 -6.474 -19.684 121 1HG GLU 16 HG2 GLU 16 3.476 -7.219 -17.600 122 2HG GLU 16 HG1 GLU 16 1.742 -7.373 -17.327 123 H ARG 17 HN ARG 17 2.751 -3.389 -20.175 124 HA ARG 17 HA ARG 17 1.954 -3.789 -22.980 125 1HB ARG 17 HB2 ARG 17 1.245 -1.600 -21.025 126 2HB ARG 17 HB1 ARG 17 0.739 -1.623 -22.710 127 1HG ARG 17 HG2 ARG 17 0.029 -3.661 -20.607 128 2HG ARG 17 HG1 ARG 17 -1.040 -2.429 -21.282 129 1HD ARG 17 HD2 ARG 17 -0.972 -3.456 -23.442 130 2HD ARG 17 HD1 ARG 17 0.294 -4.570 -22.933 131 HE ARG 17 HE ARG 17 -1.317 -5.927 -22.070 132 1HH1 ARG 17 HH11 ARG 17 -2.701 -2.791 -22.524 133 2HH1 ARG 17 HH12 ARG 17 -4.283 -3.290 -22.045 134 1HH2 ARG 17 HH21 ARG 17 -3.371 -6.570 -21.445 135 2HH2 ARG 17 HH22 ARG 17 -4.658 -5.420 -21.429 136 H ARG 18 HN ARG 18 4.594 -3.752 -22.891 137 HA ARG 18 HA ARG 18 5.719 -1.117 -23.117 138 1HB ARG 18 HB2 ARG 18 6.743 -3.894 -23.506 139 2HB ARG 18 HB1 ARG 18 7.654 -2.555 -24.187 140 1HG ARG 18 HG2 ARG 18 6.910 -2.874 -21.284 141 2HG ARG 18 HG1 ARG 18 8.493 -3.205 -21.989 142 1HD ARG 18 HD2 ARG 18 8.715 -1.064 -21.083 143 2HD ARG 18 HD1 ARG 18 8.428 -0.773 -22.798 144 HE ARG 18 HE ARG 18 6.062 -0.743 -21.120 145 1HH1 ARG 18 HH11 ARG 18 8.580 1.093 -22.630 146 2HH1 ARG 18 HH12 ARG 18 7.734 2.594 -22.505 147 1HH2 ARG 18 HH21 ARG 18 4.970 1.208 -20.945 148 2HH2 ARG 18 HH22 ARG 18 5.695 2.660 -21.538 Start of MODEL 16 1 1H ILE 1 HT1 ILE 1 4.886 6.507 3.573 2 2H ILE 1 HT2 ILE 1 3.616 5.925 4.530 3 3H ILE 1 HT3 ILE 1 3.609 7.532 4.003 4 HA ILE 1 HA ILE 1 2.267 5.563 2.813 5 HB ILE 1 HB ILE 1 1.858 7.882 2.371 6 1HG1 ILE 1 HG12 ILE 1 2.697 6.557 -0.218 7 2HG1 ILE 1 HG11 ILE 1 1.170 6.282 0.612 8 1HG2 ILE 1 HG21 ILE 1 4.274 8.544 2.443 9 2HG2 ILE 1 HG22 ILE 1 3.310 9.348 1.204 10 3HG2 ILE 1 HG23 ILE 1 4.393 8.028 0.761 11 1HD1 ILE 1 HD11 ILE 1 0.282 7.975 -0.489 12 2HD1 ILE 1 HD12 ILE 1 1.825 8.275 -1.289 13 3HD1 ILE 1 HD13 ILE 1 1.455 9.072 0.240 14 HA PRO 2 HA PRO 2 5.133 2.966 0.618 15 1HB PRO 2 HB2 PRO 2 2.850 2.072 -0.991 16 2HB PRO 2 HB1 PRO 2 3.836 1.164 0.158 17 1HG PRO 2 HG2 PRO 2 1.283 1.834 0.688 18 2HG PRO 2 HG1 PRO 2 2.520 1.753 1.957 19 1HD PRO 2 HD2 PRO 2 1.409 4.154 0.544 20 2HD PRO 2 HD1 PRO 2 1.763 3.928 2.271 21 H GLU 3 HN GLU 3 5.908 5.086 -0.405 22 HA GLU 3 HA GLU 3 4.975 5.858 -2.982 23 1HB GLU 3 HB2 GLU 3 7.640 6.392 -1.657 24 2HB GLU 3 HB1 GLU 3 7.008 7.236 -3.064 25 1HG GLU 3 HG2 GLU 3 5.204 8.153 -1.758 26 2HG GLU 3 HG1 GLU 3 5.708 7.221 -0.350 27 H SER 4 HN SER 4 5.108 3.299 -3.413 28 HA SER 4 HA SER 4 7.107 2.997 -5.467 29 1HB SER 4 HB2 SER 4 8.070 0.896 -4.575 30 2HB SER 4 HB1 SER 4 8.427 2.276 -3.537 31 HG SER 4 HG SER 4 7.727 0.484 -2.320 32 H SER 5 HN SER 5 4.611 1.424 -3.500 33 HA SER 5 HA SER 5 3.945 -0.674 -5.218 34 1HB SER 5 HB2 SER 5 2.032 0.863 -3.449 35 2HB SER 5 HB1 SER 5 1.838 -0.790 -4.029 36 HG SER 5 HG SER 5 2.789 -1.274 -2.218 37 H GLU 6 HN GLU 6 2.722 2.637 -5.089 38 HA GLU 6 HA GLU 6 0.722 2.466 -7.036 39 1HB GLU 6 HB2 GLU 6 1.076 4.373 -5.495 40 2HB GLU 6 HB1 GLU 6 2.518 4.810 -6.391 41 1HG GLU 6 HG2 GLU 6 1.197 5.263 -8.363 42 2HG GLU 6 HG1 GLU 6 -0.267 4.754 -7.521 43 H LEU 7 HN LEU 7 4.122 3.410 -7.324 44 HA LEU 7 HA LEU 7 4.176 3.830 -10.104 45 1HB LEU 7 HB2 LEU 7 5.930 4.513 -8.447 46 2HB LEU 7 HB1 LEU 7 6.439 2.841 -8.368 47 HG LEU 7 HG LEU 7 7.000 2.912 -10.774 48 1HD1 LEU 7 HD11 LEU 7 5.347 4.997 -10.987 49 2HD1 LEU 7 HD12 LEU 7 6.665 4.701 -12.120 50 3HD1 LEU 7 HD13 LEU 7 6.871 5.866 -10.812 51 1HD2 LEU 7 HD21 LEU 7 8.837 3.247 -9.372 52 2HD2 LEU 7 HD22 LEU 7 8.284 4.848 -8.877 53 3HD2 LEU 7 HD23 LEU 7 8.913 4.596 -10.506 54 H THR 8 HN THR 8 4.913 0.975 -8.138 55 HA THR 8 HA THR 8 5.656 -0.758 -10.240 56 HB THR 8 HB THR 8 4.227 -1.685 -7.760 57 HG1 THR 8 HG1 THR 8 5.911 -0.281 -7.085 58 1HG2 THR 8 HG21 THR 8 5.174 -3.734 -8.137 59 2HG2 THR 8 HG22 THR 8 6.574 -3.056 -8.968 60 3HG2 THR 8 HG23 THR 8 5.023 -3.168 -9.800 61 H LEU 9 HN LEU 9 2.499 -0.206 -8.680 62 HA LEU 9 HA LEU 9 1.018 -2.094 -10.151 63 1HB LEU 9 HB2 LEU 9 0.151 -1.034 -8.137 64 2HB LEU 9 HB1 LEU 9 0.156 0.530 -8.929 65 HG LEU 9 HG LEU 9 -1.517 -0.419 -10.568 66 1HD1 LEU 9 HD11 LEU 9 -2.261 -2.470 -8.576 67 2HD1 LEU 9 HD12 LEU 9 -0.863 -2.821 -9.593 68 3HD1 LEU 9 HD13 LEU 9 -2.426 -2.474 -10.332 69 1HD2 LEU 9 HD21 LEU 9 -3.319 0.178 -9.224 70 2HD2 LEU 9 HD22 LEU 9 -1.959 1.013 -8.473 71 3HD2 LEU 9 HD23 LEU 9 -2.576 -0.481 -7.766 72 H GLN 10 HN GLN 10 1.663 1.343 -10.721 73 HA GLN 10 HA GLN 10 0.158 1.635 -13.085 74 1HB GLN 10 HB2 GLN 10 0.977 3.544 -11.818 75 2HB GLN 10 HB1 GLN 10 2.639 3.077 -12.135 76 1HG GLN 10 HG2 GLN 10 2.338 3.526 -14.500 77 2HG GLN 10 HG1 GLN 10 0.646 3.934 -14.220 78 1HE2 GLN 10 HE21 GLN 10 2.179 5.011 -11.571 79 2HE2 GLN 10 HE22 GLN 10 2.521 6.631 -12.057 80 H GLU 11 HN GLU 11 3.477 0.613 -12.481 81 HA GLU 11 HA GLU 11 4.269 0.395 -15.215 82 1HB GLU 11 HB2 GLU 11 5.935 0.602 -13.463 83 2HB GLU 11 HB1 GLU 11 5.350 -0.857 -12.679 84 1HG GLU 11 HG2 GLU 11 6.126 -2.199 -14.543 85 2HG GLU 11 HG1 GLU 11 6.655 -0.745 -15.390 86 H LEU 12 HN LEU 12 3.092 -1.918 -12.786 87 HA LEU 12 HA LEU 12 3.170 -4.264 -14.305 88 1HB LEU 12 HB2 LEU 12 2.707 -4.186 -11.900 89 2HB LEU 12 HB1 LEU 12 1.170 -3.405 -12.209 90 HG LEU 12 HG LEU 12 0.464 -5.482 -13.444 91 1HD1 LEU 12 HD11 LEU 12 1.751 -7.547 -12.812 92 2HD1 LEU 12 HD12 LEU 12 3.058 -6.482 -12.296 93 3HD1 LEU 12 HD13 LEU 12 2.541 -6.490 -13.981 94 1HD2 LEU 12 HD21 LEU 12 -0.115 -6.669 -11.446 95 2HD2 LEU 12 HD22 LEU 12 -0.164 -4.940 -11.096 96 3HD2 LEU 12 HD23 LEU 12 1.205 -5.911 -10.555 97 H LEU 13 HN LEU 13 0.524 -1.881 -13.985 98 HA LEU 13 HA LEU 13 -0.992 -3.233 -16.069 99 1HB LEU 13 HB2 LEU 13 -1.537 -0.950 -14.225 100 2HB LEU 13 HB1 LEU 13 -2.500 -1.119 -15.681 101 HG LEU 13 HG LEU 13 -2.984 -3.490 -14.918 102 1HD1 LEU 13 HD11 LEU 13 -2.438 -4.243 -12.855 103 2HD1 LEU 13 HD12 LEU 13 -2.441 -2.631 -12.141 104 3HD1 LEU 13 HD13 LEU 13 -1.066 -3.164 -13.110 105 1HD2 LEU 13 HD21 LEU 13 -4.815 -2.792 -13.526 106 2HD2 LEU 13 HD22 LEU 13 -4.574 -1.593 -14.797 107 3HD2 LEU 13 HD23 LEU 13 -4.007 -1.269 -13.159 108 H GLY 14 HN GLY 14 1.473 -2.326 -16.937 109 1HA GLY 14 HA2 GLY 14 0.625 -0.554 -19.095 110 2HA GLY 14 HA1 GLY 14 1.931 0.036 -18.081 111 H GLU 15 HN GLU 15 3.530 -2.116 -17.676 112 HA GLU 15 HA GLU 15 4.918 -2.348 -20.123 113 1HB GLU 15 HB2 GLU 15 6.134 -2.536 -18.078 114 2HB GLU 15 HB1 GLU 15 5.140 -3.875 -17.532 115 1HG GLU 15 HG2 GLU 15 7.343 -4.628 -18.208 116 2HG GLU 15 HG1 GLU 15 6.094 -5.312 -19.241 117 H GLU 16 HN GLU 16 2.929 -4.748 -18.386 118 HA GLU 16 HA GLU 16 3.121 -6.629 -20.569 119 1HB GLU 16 HB2 GLU 16 1.392 -6.671 -18.085 120 2HB GLU 16 HB1 GLU 16 1.560 -8.000 -19.223 121 1HG GLU 16 HG2 GLU 16 3.083 -8.698 -17.723 122 2HG GLU 16 HG1 GLU 16 4.138 -7.620 -18.633 123 H ARG 17 HN ARG 17 1.917 -3.938 -21.006 124 HA ARG 17 HA ARG 17 -0.483 -4.843 -22.406 125 1HB ARG 17 HB2 ARG 17 -0.446 -2.496 -20.498 126 2HB ARG 17 HB1 ARG 17 -1.728 -2.799 -21.659 127 1HG ARG 17 HG2 ARG 17 -2.178 -4.955 -20.546 128 2HG ARG 17 HG1 ARG 17 -0.951 -4.555 -19.342 129 1HD ARG 17 HD2 ARG 17 -2.214 -2.583 -18.684 130 2HD ARG 17 HD1 ARG 17 -3.421 -2.924 -19.922 131 HE ARG 17 HE ARG 17 -3.152 -5.138 -18.197 132 1HH1 ARG 17 HH11 ARG 17 -4.422 -1.928 -18.275 133 2HH1 ARG 17 HH12 ARG 17 -5.645 -2.251 -17.100 134 1HH2 ARG 17 HH21 ARG 17 -4.746 -5.568 -16.676 135 2HH2 ARG 17 HH22 ARG 17 -5.828 -4.311 -16.196 136 H ARG 18 HN ARG 18 2.255 -4.001 -23.174 137 HA ARG 18 HA ARG 18 1.452 -1.830 -24.989 138 1HB ARG 18 HB2 ARG 18 3.739 -0.844 -24.791 139 2HB ARG 18 HB1 ARG 18 2.768 -0.718 -23.335 140 1HG ARG 18 HG2 ARG 18 4.923 -1.272 -22.605 141 2HG ARG 18 HG1 ARG 18 4.006 -2.775 -22.505 142 1HD ARG 18 HD2 ARG 18 4.948 -3.465 -24.670 143 2HD ARG 18 HD1 ARG 18 5.891 -1.979 -24.720 144 HE ARG 18 HE ARG 18 6.567 -3.203 -22.333 145 1HH1 ARG 18 HH11 ARG 18 6.664 -3.994 -25.710 146 2HH1 ARG 18 HH12 ARG 18 8.048 -5.016 -25.558 147 1HH2 ARG 18 HH21 ARG 18 8.360 -4.552 -22.122 148 2HH2 ARG 18 HH22 ARG 18 9.003 -5.331 -23.543 Start of MODEL 17 1 1H ILE 1 HT1 ILE 1 5.564 3.207 4.088 2 2H ILE 1 HT2 ILE 1 6.124 3.632 2.536 3 3H ILE 1 HT3 ILE 1 6.958 2.476 3.465 4 HA ILE 1 HA ILE 1 5.245 0.883 3.271 5 HB ILE 1 HB ILE 1 3.144 1.388 2.068 6 1HG1 ILE 1 HG12 ILE 1 4.063 4.270 2.185 7 2HG1 ILE 1 HG11 ILE 1 4.004 3.289 0.724 8 1HG2 ILE 1 HG21 ILE 1 3.732 1.884 4.655 9 2HG2 ILE 1 HG22 ILE 1 2.114 2.013 3.965 10 3HG2 ILE 1 HG23 ILE 1 3.109 3.457 4.157 11 1HD1 ILE 1 HD11 ILE 1 2.068 4.957 1.377 12 2HD1 ILE 1 HD12 ILE 1 1.512 3.563 2.303 13 3HD1 ILE 1 HD13 ILE 1 1.744 3.428 0.560 14 HA PRO 2 HA PRO 2 6.661 -0.200 -0.789 15 1HB PRO 2 HB2 PRO 2 4.607 -1.389 -2.104 16 2HB PRO 2 HB1 PRO 2 5.451 -2.151 -0.753 17 1HG PRO 2 HG2 PRO 2 2.830 -0.710 -0.780 18 2HG PRO 2 HG1 PRO 2 3.280 -2.201 0.064 19 1HD PRO 2 HD2 PRO 2 3.154 0.213 1.296 20 2HD PRO 2 HD1 PRO 2 4.263 -1.077 1.801 21 H GLU 3 HN GLU 3 6.182 2.474 -0.811 22 HA GLU 3 HA GLU 3 4.377 3.516 -2.654 23 1HB GLU 3 HB2 GLU 3 7.136 4.590 -2.066 24 2HB GLU 3 HB1 GLU 3 5.784 5.499 -2.724 25 1HG GLU 3 HG2 GLU 3 5.369 6.118 -0.633 26 2HG GLU 3 HG1 GLU 3 4.761 4.483 -0.382 27 H SER 4 HN SER 4 7.798 2.802 -3.229 28 HA SER 4 HA SER 4 7.747 3.328 -5.998 29 1HB SER 4 HB2 SER 4 9.905 2.117 -6.075 30 2HB SER 4 HB1 SER 4 9.845 3.280 -4.751 31 HG SER 4 HG SER 4 10.659 1.060 -4.298 32 H SER 5 HN SER 5 7.285 0.346 -4.172 33 HA SER 5 HA SER 5 7.231 -1.427 -6.359 34 1HB SER 5 HB2 SER 5 7.503 -2.197 -4.082 35 2HB SER 5 HB1 SER 5 5.884 -1.642 -3.672 36 HG SER 5 HG SER 5 6.113 -3.944 -4.183 37 H GLU 6 HN GLU 6 4.529 0.134 -4.599 38 HA GLU 6 HA GLU 6 2.457 -0.956 -6.147 39 1HB GLU 6 HB2 GLU 6 2.236 0.334 -3.980 40 2HB GLU 6 HB1 GLU 6 2.454 1.803 -4.916 41 1HG GLU 6 HG2 GLU 6 0.452 1.342 -6.184 42 2HG GLU 6 HG1 GLU 6 0.250 -0.200 -5.355 43 H LEU 7 HN LEU 7 4.270 2.064 -6.500 44 HA LEU 7 HA LEU 7 2.941 2.981 -8.808 45 1HB LEU 7 HB2 LEU 7 5.713 3.561 -7.778 46 2HB LEU 7 HB1 LEU 7 4.980 4.400 -9.131 47 HG LEU 7 HG LEU 7 3.958 4.411 -6.290 48 1HD1 LEU 7 HD11 LEU 7 5.688 6.233 -7.868 49 2HD1 LEU 7 HD12 LEU 7 5.729 5.834 -6.151 50 3HD1 LEU 7 HD13 LEU 7 4.512 6.951 -6.768 51 1HD2 LEU 7 HD21 LEU 7 2.510 4.783 -8.617 52 2HD2 LEU 7 HD22 LEU 7 2.915 6.421 -8.104 53 3HD2 LEU 7 HD23 LEU 7 2.061 5.338 -7.004 54 H THR 8 HN THR 8 5.962 1.037 -8.472 55 HA THR 8 HA THR 8 6.411 0.996 -11.288 56 HB THR 8 HB THR 8 7.907 -0.977 -10.818 57 HG1 THR 8 HG1 THR 8 7.512 -0.352 -8.082 58 1HG2 THR 8 HG21 THR 8 9.630 0.386 -10.167 59 2HG2 THR 8 HG22 THR 8 8.663 1.205 -8.940 60 3HG2 THR 8 HG23 THR 8 8.439 1.596 -10.645 61 H LEU 9 HN LEU 9 4.861 -1.333 -9.080 62 HA LEU 9 HA LEU 9 4.357 -3.329 -10.988 63 1HB LEU 9 HB2 LEU 9 4.108 -3.767 -8.637 64 2HB LEU 9 HB1 LEU 9 2.838 -2.565 -8.499 65 HG LEU 9 HG LEU 9 1.439 -3.979 -10.026 66 1HD1 LEU 9 HD11 LEU 9 3.435 -5.221 -10.953 67 2HD1 LEU 9 HD12 LEU 9 2.038 -6.208 -10.521 68 3HD1 LEU 9 HD13 LEU 9 3.441 -6.148 -9.452 69 1HD2 LEU 9 HD21 LEU 9 1.928 -4.201 -7.289 70 2HD2 LEU 9 HD22 LEU 9 1.870 -5.861 -7.884 71 3HD2 LEU 9 HD23 LEU 9 0.511 -4.775 -8.169 72 H GLN 10 HN GLN 10 2.220 -0.663 -9.909 73 HA GLN 10 HA GLN 10 0.062 -1.298 -11.583 74 1HB GLN 10 HB2 GLN 10 -0.156 0.248 -9.708 75 2HB GLN 10 HB1 GLN 10 0.890 1.405 -10.519 76 1HG GLN 10 HG2 GLN 10 -0.722 1.784 -12.231 77 2HG GLN 10 HG1 GLN 10 -1.726 0.455 -11.655 78 1HE2 GLN 10 HE21 GLN 10 -3.492 1.194 -10.756 79 2HE2 GLN 10 HE22 GLN 10 -3.613 2.573 -9.724 80 H GLU 11 HN GLU 11 2.837 0.850 -12.178 81 HA GLU 11 HA GLU 11 1.896 1.740 -14.701 82 1HB GLU 11 HB2 GLU 11 4.383 1.993 -13.159 83 2HB GLU 11 HB1 GLU 11 4.575 2.105 -14.903 84 1HG GLU 11 HG2 GLU 11 2.697 3.759 -13.229 85 2HG GLU 11 HG1 GLU 11 4.242 4.291 -13.888 86 H LEU 12 HN LEU 12 3.957 -0.986 -13.780 87 HA LEU 12 HA LEU 12 4.802 -1.723 -16.365 88 1HB LEU 12 HB2 LEU 12 4.173 -3.485 -13.989 89 2HB LEU 12 HB1 LEU 12 4.976 -4.039 -15.445 90 HG LEU 12 HG LEU 12 6.041 -1.961 -13.539 91 1HD1 LEU 12 HD11 LEU 12 5.940 -4.601 -13.062 92 2HD1 LEU 12 HD12 LEU 12 7.255 -3.562 -12.512 93 3HD1 LEU 12 HD13 LEU 12 7.443 -4.517 -13.982 94 1HD2 LEU 12 HD21 LEU 12 6.837 -1.462 -15.728 95 2HD2 LEU 12 HD22 LEU 12 7.177 -3.160 -16.058 96 3HD2 LEU 12 HD23 LEU 12 8.142 -2.281 -14.872 97 H LEU 13 HN LEU 13 1.943 -2.636 -14.491 98 HA LEU 13 HA LEU 13 0.746 -4.003 -16.760 99 1HB LEU 13 HB2 LEU 13 -0.123 -3.522 -13.924 100 2HB LEU 13 HB1 LEU 13 -1.253 -4.119 -15.123 101 HG LEU 13 HG LEU 13 0.408 -6.005 -15.536 102 1HD1 LEU 13 HD11 LEU 13 1.434 -5.734 -12.806 103 2HD1 LEU 13 HD12 LEU 13 2.078 -4.564 -13.958 104 3HD1 LEU 13 HD13 LEU 13 2.235 -6.291 -14.275 105 1HD2 LEU 13 HD21 LEU 13 -1.519 -6.686 -14.485 106 2HD2 LEU 13 HD22 LEU 13 -1.261 -5.634 -13.093 107 3HD2 LEU 13 HD23 LEU 13 -0.306 -7.105 -13.276 108 H GLY 14 HN GLY 14 1.331 -1.489 -17.427 109 1HA GLY 14 HA2 GLY 14 -1.273 -0.358 -18.039 110 2HA GLY 14 HA1 GLY 14 -0.200 0.675 -17.101 111 H GLU 15 HN GLU 15 2.245 0.338 -18.145 112 HA GLU 15 HA GLU 15 2.303 1.861 -20.478 113 1HB GLU 15 HB2 GLU 15 4.270 0.069 -19.120 114 2HB GLU 15 HB1 GLU 15 4.639 0.611 -20.748 115 1HG GLU 15 HG2 GLU 15 3.996 2.470 -18.476 116 2HG GLU 15 HG1 GLU 15 5.631 1.977 -18.912 117 H GLU 16 HN GLU 16 2.881 -1.638 -20.197 118 HA GLU 16 HA GLU 16 2.570 -1.990 -23.058 119 1HB GLU 16 HB2 GLU 16 2.968 -4.090 -20.919 120 2HB GLU 16 HB1 GLU 16 3.173 -4.303 -22.651 121 1HG GLU 16 HG2 GLU 16 4.864 -2.598 -20.836 122 2HG GLU 16 HG1 GLU 16 5.320 -4.130 -21.578 123 H ARG 17 HN ARG 17 0.228 -0.995 -21.855 124 HA ARG 17 HA ARG 17 -1.611 -3.136 -22.549 125 1HB ARG 17 HB2 ARG 17 -1.276 -3.499 -20.165 126 2HB ARG 17 HB1 ARG 17 -1.688 -1.823 -19.831 127 1HG ARG 17 HG2 ARG 17 -3.533 -3.344 -19.328 128 2HG ARG 17 HG1 ARG 17 -3.954 -2.194 -20.599 129 1HD ARG 17 HD2 ARG 17 -3.410 -3.946 -22.278 130 2HD ARG 17 HD1 ARG 17 -3.164 -5.083 -20.954 131 HE ARG 17 HE ARG 17 -5.686 -3.985 -20.625 132 1HH1 ARG 17 HH11 ARG 17 -4.025 -5.927 -22.949 133 2HH1 ARG 17 HH12 ARG 17 -5.457 -6.734 -23.476 134 1HH2 ARG 17 HH21 ARG 17 -7.548 -5.032 -21.310 135 2HH2 ARG 17 HH22 ARG 17 -7.443 -6.225 -22.552 136 H ARG 18 HN ARG 18 -1.416 0.224 -21.308 137 HA ARG 18 HA ARG 18 -4.004 0.923 -22.293 138 1HB ARG 18 HB2 ARG 18 -3.380 3.231 -21.743 139 2HB ARG 18 HB1 ARG 18 -3.017 2.122 -20.429 140 1HG ARG 18 HG2 ARG 18 -0.641 2.071 -21.484 141 2HG ARG 18 HG1 ARG 18 -1.154 3.579 -22.244 142 1HD ARG 18 HD2 ARG 18 -1.483 4.635 -20.162 143 2HD ARG 18 HD1 ARG 18 -1.412 3.105 -19.288 144 HE ARG 18 HE ARG 18 1.003 3.823 -20.707 145 1HH1 ARG 18 HH11 ARG 18 -0.726 3.951 -17.708 146 2HH1 ARG 18 HH12 ARG 18 0.711 4.191 -16.748 147 1HH2 ARG 18 HH21 ARG 18 2.839 4.126 -19.495 148 2HH2 ARG 18 HH22 ARG 18 2.710 4.273 -17.741 Start of MODEL 18 1 1H ILE 1 HT1 ILE 1 4.146 5.439 2.740 2 2H ILE 1 HT2 ILE 1 2.740 5.076 3.610 3 3H ILE 1 HT3 ILE 1 2.761 6.394 2.551 4 HA ILE 1 HA ILE 1 1.984 3.794 2.005 5 HB ILE 1 HB ILE 1 2.502 6.158 0.183 6 1HG1 ILE 1 HG12 ILE 1 -0.095 6.158 0.251 7 2HG1 ILE 1 HG11 ILE 1 0.095 5.180 1.700 8 1HG2 ILE 1 HG21 ILE 1 2.324 4.640 -1.463 9 2HG2 ILE 1 HG22 ILE 1 0.600 4.727 -1.100 10 3HG2 ILE 1 HG23 ILE 1 1.582 3.433 -0.413 11 1HD1 ILE 1 HD11 ILE 1 1.221 7.941 1.292 12 2HD1 ILE 1 HD12 ILE 1 1.358 6.966 2.755 13 3HD1 ILE 1 HD13 ILE 1 -0.223 7.538 2.222 14 HA PRO 2 HA PRO 2 5.816 1.873 0.743 15 1HB PRO 2 HB2 PRO 2 4.075 -0.096 -0.595 16 2HB PRO 2 HB1 PRO 2 5.266 -0.338 0.685 17 1HG PRO 2 HG2 PRO 2 2.635 -0.497 1.175 18 2HG PRO 2 HG1 PRO 2 3.764 0.180 2.364 19 1HD PRO 2 HD2 PRO 2 1.908 1.600 0.489 20 2HD PRO 2 HD1 PRO 2 2.284 1.958 2.189 21 H GLU 3 HN GLU 3 7.065 2.313 -0.952 22 HA GLU 3 HA GLU 3 6.242 3.642 -3.246 23 1HB GLU 3 HB2 GLU 3 8.656 1.867 -3.343 24 2HB GLU 3 HB1 GLU 3 8.432 3.465 -4.037 25 1HG GLU 3 HG2 GLU 3 9.880 3.856 -2.284 26 2HG GLU 3 HG1 GLU 3 8.311 4.265 -1.589 27 H SER 4 HN SER 4 6.493 0.218 -2.684 28 HA SER 4 HA SER 4 6.438 -0.828 -5.241 29 1HB SER 4 HB2 SER 4 5.414 -2.835 -4.245 30 2HB SER 4 HB1 SER 4 6.730 -2.215 -3.249 31 HG SER 4 HG SER 4 4.617 -2.809 -2.211 32 H SER 5 HN SER 5 3.821 0.667 -3.460 33 HA SER 5 HA SER 5 1.639 -0.343 -4.937 34 1HB SER 5 HB2 SER 5 1.074 0.762 -2.972 35 2HB SER 5 HB1 SER 5 2.096 2.148 -3.330 36 HG SER 5 HG SER 5 0.511 3.049 -4.398 37 H GLU 6 HN GLU 6 3.173 2.858 -5.235 38 HA GLU 6 HA GLU 6 1.904 3.510 -7.660 39 1HB GLU 6 HB2 GLU 6 4.395 4.572 -6.331 40 2HB GLU 6 HB1 GLU 6 3.765 5.236 -7.832 41 1HG GLU 6 HG2 GLU 6 3.041 6.563 -5.934 42 2HG GLU 6 HG1 GLU 6 1.662 5.788 -6.712 43 H LEU 7 HN LEU 7 4.922 1.905 -6.901 44 HA LEU 7 HA LEU 7 5.995 1.858 -9.510 45 1HB LEU 7 HB2 LEU 7 6.419 0.019 -7.160 46 2HB LEU 7 HB1 LEU 7 7.319 -0.107 -8.659 47 HG LEU 7 HG LEU 7 7.330 2.261 -6.786 48 1HD1 LEU 7 HD11 LEU 7 8.522 0.303 -5.920 49 2HD1 LEU 7 HD12 LEU 7 9.625 1.618 -6.325 50 3HD1 LEU 7 HD13 LEU 7 9.472 0.232 -7.404 51 1HD2 LEU 7 HD21 LEU 7 7.910 3.393 -8.630 52 2HD2 LEU 7 HD22 LEU 7 8.200 1.921 -9.557 53 3HD2 LEU 7 HD23 LEU 7 9.451 2.548 -8.484 54 H THR 8 HN THR 8 3.874 -0.476 -7.770 55 HA THR 8 HA THR 8 3.902 -2.367 -9.910 56 HB THR 8 HB THR 8 1.740 -3.221 -8.831 57 HG1 THR 8 HG1 THR 8 2.554 -1.530 -6.692 58 1HG2 THR 8 HG21 THR 8 2.946 -4.448 -7.250 59 2HG2 THR 8 HG22 THR 8 4.053 -3.114 -6.925 60 3HG2 THR 8 HG23 THR 8 4.159 -3.997 -8.448 61 H LEU 9 HN LEU 9 1.614 0.235 -9.081 62 HA LEU 9 HA LEU 9 -0.268 -0.311 -11.117 63 1HB LEU 9 HB2 LEU 9 0.404 2.440 -10.098 64 2HB LEU 9 HB1 LEU 9 -1.133 1.862 -10.715 65 HG LEU 9 HG LEU 9 0.127 0.859 -8.179 66 1HD1 LEU 9 HD11 LEU 9 -2.184 2.766 -8.311 67 2HD1 LEU 9 HD12 LEU 9 -0.519 3.348 -8.272 68 3HD1 LEU 9 HD13 LEU 9 -1.145 2.372 -6.942 69 1HD2 LEU 9 HD21 LEU 9 -1.507 -0.627 -9.321 70 2HD2 LEU 9 HD22 LEU 9 -2.714 0.650 -9.171 71 3HD2 LEU 9 HD23 LEU 9 -2.032 -0.093 -7.724 72 H GLN 10 HN GLN 10 2.497 1.903 -11.007 73 HA GLN 10 HA GLN 10 2.285 2.888 -13.640 74 1HB GLN 10 HB2 GLN 10 3.606 4.050 -12.021 75 2HB GLN 10 HB1 GLN 10 4.598 2.634 -11.721 76 1HG GLN 10 HG2 GLN 10 5.558 2.825 -13.950 77 2HG GLN 10 HG1 GLN 10 4.536 4.224 -14.276 78 1HE2 GLN 10 HE21 GLN 10 5.245 4.469 -11.122 79 2HE2 GLN 10 HE22 GLN 10 6.664 5.450 -11.201 80 H GLU 11 HN GLU 11 3.803 0.039 -12.265 81 HA GLU 11 HA GLU 11 5.277 -0.756 -14.573 82 1HB GLU 11 HB2 GLU 11 5.691 -1.571 -12.255 83 2HB GLU 11 HB1 GLU 11 4.175 -2.454 -12.323 84 1HG GLU 11 HG2 GLU 11 5.061 -3.810 -14.159 85 2HG GLU 11 HG1 GLU 11 6.591 -2.937 -14.049 86 H LEU 12 HN LEU 12 2.122 -1.754 -13.269 87 HA LEU 12 HA LEU 12 1.454 -3.535 -15.354 88 1HB LEU 12 HB2 LEU 12 -0.370 -1.908 -13.578 89 2HB LEU 12 HB1 LEU 12 -0.869 -3.267 -14.564 90 HG LEU 12 HG LEU 12 1.094 -3.442 -12.278 91 1HD1 LEU 12 HD11 LEU 12 -1.099 -2.874 -11.439 92 2HD1 LEU 12 HD12 LEU 12 -0.747 -4.567 -11.086 93 3HD1 LEU 12 HD13 LEU 12 -1.833 -4.150 -12.412 94 1HD2 LEU 12 HD21 LEU 12 1.343 -5.135 -14.086 95 2HD2 LEU 12 HD22 LEU 12 -0.321 -5.634 -13.787 96 3HD2 LEU 12 HD23 LEU 12 0.896 -5.819 -12.524 97 H LEU 13 HN LEU 13 0.500 -0.135 -14.802 98 HA LEU 13 HA LEU 13 -0.569 0.015 -17.505 99 1HB LEU 13 HB2 LEU 13 -0.539 1.929 -15.191 100 2HB LEU 13 HB1 LEU 13 -1.045 2.431 -16.793 101 HG LEU 13 HG LEU 13 -2.699 0.456 -16.658 102 1HD1 LEU 13 HD11 LEU 13 -1.995 -0.731 -14.769 103 2HD1 LEU 13 HD12 LEU 13 -3.450 0.118 -14.247 104 3HD1 LEU 13 HD13 LEU 13 -1.861 0.731 -13.791 105 1HD2 LEU 13 HD21 LEU 13 -4.223 2.051 -16.357 106 2HD2 LEU 13 HD22 LEU 13 -2.876 3.152 -16.067 107 3HD2 LEU 13 HD23 LEU 13 -3.678 2.364 -14.709 108 H GLY 14 HN GLY 14 2.144 -0.482 -17.512 109 1HA GLY 14 HA2 GLY 14 3.076 1.877 -18.962 110 2HA GLY 14 HA1 GLY 14 4.055 1.376 -17.593 111 H GLU 15 HN GLU 15 4.236 -1.280 -17.738 112 HA GLU 15 HA GLU 15 5.345 -1.759 -20.429 113 1HB GLU 15 HB2 GLU 15 6.350 -2.603 -17.720 114 2HB GLU 15 HB1 GLU 15 6.882 -3.401 -19.196 115 1HG GLU 15 HG2 GLU 15 7.801 -1.367 -20.046 116 2HG GLU 15 HG1 GLU 15 7.107 -0.442 -18.717 117 H GLU 16 HN GLU 16 3.450 -3.166 -17.799 118 HA GLU 16 HA GLU 16 3.274 -5.802 -18.720 119 1HB GLU 16 HB2 GLU 16 2.434 -5.119 -16.529 120 2HB GLU 16 HB1 GLU 16 1.185 -4.144 -17.286 121 1HG GLU 16 HG2 GLU 16 1.104 -6.917 -18.147 122 2HG GLU 16 HG1 GLU 16 0.931 -6.740 -16.402 123 H ARG 17 HN ARG 17 1.218 -3.000 -19.502 124 HA ARG 17 HA ARG 17 0.139 -4.525 -21.784 125 1HB ARG 17 HB2 ARG 17 -1.550 -2.506 -21.767 126 2HB ARG 17 HB1 ARG 17 -1.763 -3.855 -20.662 127 1HG ARG 17 HG2 ARG 17 -0.307 -2.341 -19.073 128 2HG ARG 17 HG1 ARG 17 -0.930 -1.059 -20.112 129 1HD ARG 17 HD2 ARG 17 -2.438 -1.235 -18.296 130 2HD ARG 17 HD1 ARG 17 -3.236 -1.994 -19.675 131 HE ARG 17 HE ARG 17 -1.872 -4.009 -18.314 132 1HH1 ARG 17 HH11 ARG 17 -4.527 -1.835 -17.742 133 2HH1 ARG 17 HH12 ARG 17 -5.266 -2.866 -16.572 134 1HH2 ARG 17 HH21 ARG 17 -2.792 -5.316 -16.781 135 2HH2 ARG 17 HH22 ARG 17 -4.292 -4.837 -16.030 136 H ARG 18 HN ARG 18 2.681 -3.545 -22.029 137 HA ARG 18 HA ARG 18 2.773 -0.940 -23.195 138 1HB ARG 18 HB2 ARG 18 4.679 -2.182 -22.066 139 2HB ARG 18 HB1 ARG 18 4.812 -3.139 -23.533 140 1HG ARG 18 HG2 ARG 18 4.908 -0.169 -23.718 141 2HG ARG 18 HG1 ARG 18 6.326 -1.050 -23.155 142 1HD ARG 18 HD2 ARG 18 6.525 -2.239 -25.182 143 2HD ARG 18 HD1 ARG 18 4.908 -1.773 -25.706 144 HE ARG 18 HE ARG 18 7.329 -0.223 -25.933 145 1HH1 ARG 18 HH11 ARG 18 3.850 -0.221 -26.053 146 2HH1 ARG 18 HH12 ARG 18 3.790 1.320 -26.864 147 1HH2 ARG 18 HH21 ARG 18 7.219 1.758 -26.978 148 2HH2 ARG 18 HH22 ARG 18 5.680 2.426 -27.385 Start of MODEL 19 1 1H ILE 1 HT1 ILE 1 0.494 6.288 2.390 2 2H ILE 1 HT2 ILE 1 1.822 5.278 2.670 3 3H ILE 1 HT3 ILE 1 0.296 4.856 3.271 4 HA ILE 1 HA ILE 1 -0.195 3.772 1.433 5 HB ILE 1 HB ILE 1 0.557 6.322 -0.024 6 1HG1 ILE 1 HG12 ILE 1 -2.046 6.364 -0.247 7 2HG1 ILE 1 HG11 ILE 1 -2.009 5.277 1.135 8 1HG2 ILE 1 HG21 ILE 1 -1.087 4.036 -1.090 9 2HG2 ILE 1 HG22 ILE 1 0.622 4.279 -1.455 10 3HG2 ILE 1 HG23 ILE 1 -0.566 5.483 -1.955 11 1HD1 ILE 1 HD11 ILE 1 -1.028 8.109 0.987 12 2HD1 ILE 1 HD12 ILE 1 -0.652 7.027 2.328 13 3HD1 ILE 1 HD13 ILE 1 -2.328 7.452 1.981 14 HA PRO 2 HA PRO 2 3.761 2.003 0.349 15 1HB PRO 2 HB2 PRO 2 2.287 0.189 -1.416 16 2HB PRO 2 HB1 PRO 2 3.191 -0.173 0.056 17 1HG PRO 2 HG2 PRO 2 0.501 -0.320 -0.049 18 2HG PRO 2 HG1 PRO 2 1.367 0.166 1.420 19 1HD PRO 2 HD2 PRO 2 -0.029 1.875 -0.610 20 2HD PRO 2 HD1 PRO 2 -0.040 1.997 1.163 21 H GLU 3 HN GLU 3 3.606 4.269 -0.990 22 HA GLU 3 HA GLU 3 3.322 4.054 -3.815 23 1HB GLU 3 HB2 GLU 3 4.725 6.158 -2.155 24 2HB GLU 3 HB1 GLU 3 4.282 6.324 -3.849 25 1HG GLU 3 HG2 GLU 3 1.965 6.297 -3.335 26 2HG GLU 3 HG1 GLU 3 2.276 5.813 -1.670 27 H SER 4 HN SER 4 4.796 1.994 -3.602 28 HA SER 4 HA SER 4 7.299 2.689 -4.887 29 1HB SER 4 HB2 SER 4 8.674 1.280 -3.355 30 2HB SER 4 HB1 SER 4 8.024 2.716 -2.567 31 HG SER 4 HG SER 4 7.839 0.441 -1.563 32 H SER 5 HN SER 5 5.782 -0.131 -3.294 33 HA SER 5 HA SER 5 6.590 -1.920 -5.390 34 1HB SER 5 HB2 SER 5 4.555 -2.338 -3.184 35 2HB SER 5 HB1 SER 5 5.242 -3.599 -4.206 36 HG SER 5 HG SER 5 6.655 -3.701 -2.642 37 H GLU 6 HN GLU 6 3.427 -0.705 -4.311 38 HA GLU 6 HA GLU 6 1.923 -1.754 -6.446 39 1HB GLU 6 HB2 GLU 6 1.412 0.640 -4.671 40 2HB GLU 6 HB1 GLU 6 0.228 -0.046 -5.771 41 1HG GLU 6 HG2 GLU 6 1.482 -1.425 -3.407 42 2HG GLU 6 HG1 GLU 6 -0.167 -0.810 -3.511 43 H LEU 7 HN LEU 7 3.644 1.263 -5.990 44 HA LEU 7 HA LEU 7 2.760 2.650 -8.268 45 1HB LEU 7 HB2 LEU 7 4.223 3.388 -6.212 46 2HB LEU 7 HB1 LEU 7 5.563 2.906 -7.231 47 HG LEU 7 HG LEU 7 5.077 5.345 -7.276 48 1HD1 LEU 7 HD11 LEU 7 4.686 5.253 -9.952 49 2HD1 LEU 7 HD12 LEU 7 5.241 3.610 -9.634 50 3HD1 LEU 7 HD13 LEU 7 6.238 4.985 -9.158 51 1HD2 LEU 7 HD21 LEU 7 2.423 4.428 -7.656 52 2HD2 LEU 7 HD22 LEU 7 2.893 5.352 -9.083 53 3HD2 LEU 7 HD23 LEU 7 3.003 6.084 -7.482 54 H THR 8 HN THR 8 5.578 0.502 -7.764 55 HA THR 8 HA THR 8 6.540 0.648 -10.429 56 HB THR 8 HB THR 8 6.870 -1.709 -8.573 57 HG1 THR 8 HG1 THR 8 7.644 0.082 -7.451 58 1HG2 THR 8 HG21 THR 8 7.662 -1.364 -11.199 59 2HG2 THR 8 HG22 THR 8 8.322 -2.535 -10.057 60 3HG2 THR 8 HG23 THR 8 9.109 -0.970 -10.269 61 H LEU 9 HN LEU 9 4.326 -1.610 -8.787 62 HA LEU 9 HA LEU 9 3.937 -3.405 -10.910 63 1HB LEU 9 HB2 LEU 9 3.139 -3.875 -8.664 64 2HB LEU 9 HB1 LEU 9 2.032 -2.518 -8.739 65 HG LEU 9 HG LEU 9 0.816 -3.674 -10.580 66 1HD1 LEU 9 HD11 LEU 9 1.255 -6.181 -10.695 67 2HD1 LEU 9 HD12 LEU 9 2.816 -5.825 -9.956 68 3HD1 LEU 9 HD13 LEU 9 2.399 -5.124 -11.520 69 1HD2 LEU 9 HD21 LEU 9 0.563 -3.969 -7.906 70 2HD2 LEU 9 HD22 LEU 9 0.764 -5.650 -8.401 71 3HD2 LEU 9 HD23 LEU 9 -0.537 -4.678 -9.088 72 H GLN 10 HN GLN 10 2.165 -0.466 -10.015 73 HA GLN 10 HA GLN 10 0.291 -0.448 -12.109 74 1HB GLN 10 HB2 GLN 10 -0.004 0.994 -10.212 75 2HB GLN 10 HB1 GLN 10 1.547 1.771 -10.487 76 1HG GLN 10 HG2 GLN 10 0.668 2.721 -12.580 77 2HG GLN 10 HG1 GLN 10 -0.899 1.994 -12.225 78 1HE2 GLN 10 HE21 GLN 10 -2.269 3.437 -11.498 79 2HE2 GLN 10 HE22 GLN 10 -1.908 4.749 -10.436 80 H GLU 11 HN GLU 11 3.553 0.861 -11.847 81 HA GLU 11 HA GLU 11 3.644 2.161 -14.364 82 1HB GLU 11 HB2 GLU 11 5.153 2.650 -12.493 83 2HB GLU 11 HB1 GLU 11 5.888 1.067 -12.663 84 1HG GLU 11 HG2 GLU 11 6.763 1.665 -14.824 85 2HG GLU 11 HG1 GLU 11 5.923 3.217 -14.766 86 H LEU 12 HN LEU 12 4.835 -1.043 -13.267 87 HA LEU 12 HA LEU 12 5.886 -1.887 -15.739 88 1HB LEU 12 HB2 LEU 12 4.587 -3.527 -13.559 89 2HB LEU 12 HB1 LEU 12 5.508 -4.198 -14.891 90 HG LEU 12 HG LEU 12 6.593 -2.368 -12.754 91 1HD1 LEU 12 HD11 LEU 12 5.955 -4.871 -12.291 92 2HD1 LEU 12 HD12 LEU 12 7.473 -4.199 -11.695 93 3HD1 LEU 12 HD13 LEU 12 7.459 -5.188 -13.156 94 1HD2 LEU 12 HD21 LEU 12 8.629 -3.721 -14.163 95 2HD2 LEU 12 HD22 LEU 12 8.297 -1.989 -14.127 96 3HD2 LEU 12 HD23 LEU 12 7.557 -3.004 -15.366 97 H LEU 13 HN LEU 13 2.655 -2.403 -14.337 98 HA LEU 13 HA LEU 13 1.518 -3.746 -16.533 99 1HB LEU 13 HB2 LEU 13 0.519 -3.588 -14.260 100 2HB LEU 13 HB1 LEU 13 0.139 -1.906 -14.573 101 HG LEU 13 HG LEU 13 -1.347 -2.608 -16.425 102 1HD1 LEU 13 HD11 LEU 13 -0.079 -4.804 -16.753 103 2HD1 LEU 13 HD12 LEU 13 -1.836 -4.846 -16.893 104 3HD1 LEU 13 HD13 LEU 13 -1.056 -5.420 -15.420 105 1HD2 LEU 13 HD21 LEU 13 -3.116 -3.555 -14.998 106 2HD2 LEU 13 HD22 LEU 13 -2.288 -2.197 -14.235 107 3HD2 LEU 13 HD23 LEU 13 -1.918 -3.848 -13.737 108 H GLY 14 HN GLY 14 2.027 -0.346 -15.869 109 1HA GLY 14 HA2 GLY 14 0.395 0.746 -17.910 110 2HA GLY 14 HA1 GLY 14 1.762 1.547 -17.145 111 H GLU 15 HN GLU 15 3.876 -0.077 -17.822 112 HA GLU 15 HA GLU 15 4.338 0.679 -20.538 113 1HB GLU 15 HB2 GLU 15 6.185 0.465 -18.908 114 2HB GLU 15 HB1 GLU 15 5.916 -1.273 -18.843 115 1HG GLU 15 HG2 GLU 15 6.433 -1.414 -21.250 116 2HG GLU 15 HG1 GLU 15 6.776 0.313 -21.256 117 H GLU 16 HN GLU 16 3.479 -2.361 -18.974 118 HA GLU 16 HA GLU 16 3.718 -4.045 -21.214 119 1HB GLU 16 HB2 GLU 16 1.925 -4.219 -18.788 120 2HB GLU 16 HB1 GLU 16 2.102 -5.511 -19.967 121 1HG GLU 16 HG2 GLU 16 4.365 -5.854 -19.395 122 2HG GLU 16 HG1 GLU 16 4.433 -4.354 -18.473 123 H ARG 17 HN ARG 17 1.084 -1.966 -20.104 124 HA ARG 17 HA ARG 17 -0.783 -2.922 -22.082 125 1HB ARG 17 HB2 ARG 17 -0.806 -0.666 -20.108 126 2HB ARG 17 HB1 ARG 17 -2.069 -0.823 -21.320 127 1HG ARG 17 HG2 ARG 17 -2.755 -2.926 -20.445 128 2HG ARG 17 HG1 ARG 17 -1.351 -3.002 -19.376 129 1HD ARG 17 HD2 ARG 17 -3.491 -0.884 -19.238 130 2HD ARG 17 HD1 ARG 17 -3.453 -2.330 -18.228 131 HE ARG 17 HE ARG 17 -1.000 -1.146 -17.891 132 1HH1 ARG 17 HH11 ARG 17 -4.289 -0.153 -17.457 133 2HH1 ARG 17 HH12 ARG 17 -3.930 0.858 -16.102 134 1HH2 ARG 17 HH21 ARG 17 -0.535 0.161 -16.126 135 2HH2 ARG 17 HH22 ARG 17 -1.806 1.035 -15.352 136 H ARG 18 HN ARG 18 1.556 -2.110 -23.423 137 HA ARG 18 HA ARG 18 1.375 0.525 -24.469 138 1HB ARG 18 HB2 ARG 18 2.800 -1.963 -25.315 139 2HB ARG 18 HB1 ARG 18 2.713 -0.606 -26.431 140 1HG ARG 18 HG2 ARG 18 3.801 -0.464 -23.629 141 2HG ARG 18 HG1 ARG 18 4.775 -0.627 -25.092 142 1HD ARG 18 HD2 ARG 18 4.230 1.514 -25.840 143 2HD ARG 18 HD1 ARG 18 2.814 1.620 -24.795 144 HE ARG 18 HE ARG 18 5.485 2.351 -24.133 145 1HH1 ARG 18 HH11 ARG 18 2.513 1.165 -22.841 146 2HH1 ARG 18 HH12 ARG 18 2.876 1.632 -21.216 147 1HH2 ARG 18 HH21 ARG 18 5.965 2.987 -22.021 148 2HH2 ARG 18 HH22 ARG 18 4.834 2.663 -20.757 Start of MODEL 20 1 1H ILE 1 HT1 ILE 1 8.029 3.843 4.164 2 2H ILE 1 HT2 ILE 1 9.256 2.902 4.852 3 3H ILE 1 HT3 ILE 1 7.788 3.104 5.668 4 HA ILE 1 HA ILE 1 8.300 0.939 4.309 5 HB ILE 1 HB ILE 1 5.616 2.335 4.222 6 1HG1 ILE 1 HG12 ILE 1 6.521 2.272 6.496 7 2HG1 ILE 1 HG11 ILE 1 5.156 1.172 6.341 8 1HG2 ILE 1 HG21 ILE 1 6.492 -0.310 3.401 9 2HG2 ILE 1 HG22 ILE 1 4.980 0.535 3.072 10 3HG2 ILE 1 HG23 ILE 1 5.179 -0.363 4.577 11 1HD1 ILE 1 HD11 ILE 1 8.059 0.547 6.643 12 2HD1 ILE 1 HD12 ILE 1 6.957 -0.629 5.926 13 3HD1 ILE 1 HD13 ILE 1 6.682 -0.048 7.568 14 HA PRO 2 HA PRO 2 8.791 1.974 -0.013 15 1HB PRO 2 HB2 PRO 2 8.670 -0.898 -0.538 16 2HB PRO 2 HB1 PRO 2 10.028 0.214 -0.717 17 1HG PRO 2 HG2 PRO 2 9.948 -1.689 1.203 18 2HG PRO 2 HG1 PRO 2 10.768 -0.133 1.430 19 1HD PRO 2 HD2 PRO 2 8.077 -1.021 2.404 20 2HD PRO 2 HD1 PRO 2 9.327 -0.078 3.245 21 H GLU 3 HN GLU 3 6.292 2.555 0.507 22 HA GLU 3 HA GLU 3 4.349 0.787 -0.632 23 1HB GLU 3 HB2 GLU 3 4.191 3.710 0.112 24 2HB GLU 3 HB1 GLU 3 2.816 2.741 -0.397 25 1HG GLU 3 HG2 GLU 3 4.523 2.095 1.992 26 2HG GLU 3 HG1 GLU 3 3.043 3.049 2.067 27 H SER 4 HN SER 4 6.173 0.907 -2.588 28 HA SER 4 HA SER 4 5.341 2.914 -4.548 29 1HB SER 4 HB2 SER 4 7.157 1.997 -5.941 30 2HB SER 4 HB1 SER 4 7.740 2.438 -4.336 31 HG SER 4 HG SER 4 7.327 -0.110 -5.449 32 H SER 5 HN SER 5 3.746 0.472 -3.566 33 HA SER 5 HA SER 5 3.445 -1.389 -5.634 34 1HB SER 5 HB2 SER 5 1.321 -0.423 -3.712 35 2HB SER 5 HB1 SER 5 1.297 -1.936 -4.615 36 HG SER 5 HG SER 5 2.237 -1.647 -2.249 37 H GLU 6 HN GLU 6 1.763 1.672 -5.044 38 HA GLU 6 HA GLU 6 -0.095 1.551 -7.143 39 1HB GLU 6 HB2 GLU 6 -0.060 3.209 -5.259 40 2HB GLU 6 HB1 GLU 6 1.278 4.017 -6.056 41 1HG GLU 6 HG2 GLU 6 -0.147 4.475 -7.987 42 2HG GLU 6 HG1 GLU 6 -1.494 3.676 -7.176 43 H LEU 7 HN LEU 7 3.170 2.852 -6.974 44 HA LEU 7 HA LEU 7 3.370 3.839 -9.600 45 1HB LEU 7 HB2 LEU 7 4.912 4.354 -7.708 46 2HB LEU 7 HB1 LEU 7 5.582 2.746 -7.864 47 HG LEU 7 HG LEU 7 6.320 3.300 -10.163 48 1HD1 LEU 7 HD11 LEU 7 6.322 6.080 -10.159 49 2HD1 LEU 7 HD12 LEU 7 4.686 5.630 -9.678 50 3HD1 LEU 7 HD13 LEU 7 5.360 5.020 -11.189 51 1HD2 LEU 7 HD21 LEU 7 7.937 5.219 -9.288 52 2HD2 LEU 7 HD22 LEU 7 8.098 3.541 -8.770 53 3HD2 LEU 7 HD23 LEU 7 7.273 4.708 -7.736 54 H THR 8 HN THR 8 4.410 0.722 -8.190 55 HA THR 8 HA THR 8 5.382 -0.357 -10.616 56 HB THR 8 HB THR 8 5.140 -2.591 -9.514 57 HG1 THR 8 HG1 THR 8 3.297 -1.934 -8.174 58 1HG2 THR 8 HG21 THR 8 6.464 -1.293 -7.351 59 2HG2 THR 8 HG22 THR 8 6.832 -0.426 -8.842 60 3HG2 THR 8 HG23 THR 8 7.168 -2.153 -8.720 61 H LEU 9 HN LEU 9 2.183 -0.584 -9.071 62 HA LEU 9 HA LEU 9 1.020 -2.384 -10.904 63 1HB LEU 9 HB2 LEU 9 -0.015 -1.858 -8.777 64 2HB LEU 9 HB1 LEU 9 -0.218 -0.183 -9.252 65 HG LEU 9 HG LEU 9 -1.726 -1.042 -11.115 66 1HD1 LEU 9 HD11 LEU 9 -2.782 -3.236 -10.653 67 2HD1 LEU 9 HD12 LEU 9 -1.540 -3.536 -9.437 68 3HD1 LEU 9 HD13 LEU 9 -1.089 -3.353 -11.132 69 1HD2 LEU 9 HD21 LEU 9 -3.471 -0.545 -9.803 70 2HD2 LEU 9 HD22 LEU 9 -2.243 -0.231 -8.577 71 3HD2 LEU 9 HD23 LEU 9 -3.068 -1.790 -8.620 72 H GLN 10 HN GLN 10 1.000 1.166 -10.806 73 HA GLN 10 HA GLN 10 -0.491 1.640 -13.130 74 1HB GLN 10 HB2 GLN 10 0.183 3.281 -11.321 75 2HB GLN 10 HB1 GLN 10 1.763 3.350 -12.079 76 1HG GLN 10 HG2 GLN 10 0.600 5.229 -12.854 77 2HG GLN 10 HG1 GLN 10 0.572 4.077 -14.188 78 1HE2 GLN 10 HE21 GLN 10 -1.263 6.130 -12.316 79 2HE2 GLN 10 HE22 GLN 10 -2.830 5.528 -12.724 80 H GLU 11 HN GLU 11 2.976 1.129 -12.650 81 HA GLU 11 HA GLU 11 3.770 1.668 -15.333 82 1HB GLU 11 HB2 GLU 11 5.375 1.824 -13.552 83 2HB GLU 11 HB1 GLU 11 5.087 0.159 -13.073 84 1HG GLU 11 HG2 GLU 11 6.034 -0.572 -15.245 85 2HG GLU 11 HG1 GLU 11 6.427 1.112 -15.592 86 H LEU 12 HN LEU 12 3.292 -1.412 -13.575 87 HA LEU 12 HA LEU 12 3.858 -3.130 -15.717 88 1HB LEU 12 HB2 LEU 12 1.939 -3.558 -13.424 89 2HB LEU 12 HB1 LEU 12 2.548 -4.818 -14.478 90 HG LEU 12 HG LEU 12 4.245 -3.133 -12.640 91 1HD1 LEU 12 HD11 LEU 12 4.376 -5.015 -11.198 92 2HD1 LEU 12 HD12 LEU 12 3.510 -6.037 -12.346 93 3HD1 LEU 12 HD13 LEU 12 2.665 -4.728 -11.517 94 1HD2 LEU 12 HD21 LEU 12 5.020 -5.643 -14.106 95 2HD2 LEU 12 HD22 LEU 12 6.064 -4.516 -13.240 96 3HD2 LEU 12 HD23 LEU 12 5.306 -4.028 -14.755 97 H LEU 13 HN LEU 13 0.752 -1.781 -14.632 98 HA LEU 13 HA LEU 13 -0.603 -2.921 -16.938 99 1HB LEU 13 HB2 LEU 13 -1.506 -1.386 -14.535 100 2HB LEU 13 HB1 LEU 13 -2.562 -1.537 -15.928 101 HG LEU 13 HG LEU 13 -2.202 -4.055 -15.722 102 1HD1 LEU 13 HD11 LEU 13 -1.857 -4.489 -13.107 103 2HD1 LEU 13 HD12 LEU 13 -0.802 -3.090 -13.311 104 3HD1 LEU 13 HD13 LEU 13 -0.539 -4.542 -14.278 105 1HD2 LEU 13 HD21 LEU 13 -4.049 -2.305 -14.587 106 2HD2 LEU 13 HD22 LEU 13 -3.651 -3.450 -13.307 107 3HD2 LEU 13 HD23 LEU 13 -4.248 -4.036 -14.859 108 H GLY 14 HN GLY 14 1.435 -1.138 -17.596 109 1HA GLY 14 HA2 GLY 14 -0.124 0.807 -19.128 110 2HA GLY 14 HA1 GLY 14 1.142 1.440 -18.090 111 H GLU 15 HN GLU 15 3.312 0.051 -18.433 112 HA GLU 15 HA GLU 15 4.134 0.667 -21.080 113 1HB GLU 15 HB2 GLU 15 5.499 -0.689 -18.774 114 2HB GLU 15 HB1 GLU 15 6.289 -0.499 -20.336 115 1HG GLU 15 HG2 GLU 15 5.183 1.756 -18.673 116 2HG GLU 15 HG1 GLU 15 6.881 1.280 -18.745 117 H GLU 16 HN GLU 16 3.708 -2.498 -19.461 118 HA GLU 16 HA GLU 16 4.315 -3.922 -21.891 119 1HB GLU 16 HB2 GLU 16 4.770 -4.882 -19.649 120 2HB GLU 16 HB1 GLU 16 3.039 -4.949 -19.345 121 1HG GLU 16 HG2 GLU 16 2.732 -6.558 -21.092 122 2HG GLU 16 HG1 GLU 16 4.411 -6.392 -21.601 123 H ARG 17 HN ARG 17 1.539 -2.584 -20.401 124 HA ARG 17 HA ARG 17 -0.491 -4.098 -21.678 125 1HB ARG 17 HB2 ARG 17 -0.911 -2.868 -19.642 126 2HB ARG 17 HB1 ARG 17 -0.488 -1.354 -20.422 127 1HG ARG 17 HG2 ARG 17 -2.452 -1.567 -21.875 128 2HG ARG 17 HG1 ARG 17 -2.882 -3.070 -21.048 129 1HD ARG 17 HD2 ARG 17 -3.107 -1.896 -18.952 130 2HD ARG 17 HD1 ARG 17 -2.552 -0.398 -19.694 131 HE ARG 17 HE ARG 17 -4.831 -1.316 -21.051 132 1HH1 ARG 17 HH11 ARG 17 -3.856 0.042 -18.025 133 2HH1 ARG 17 HH12 ARG 17 -5.395 0.777 -17.721 134 1HH2 ARG 17 HH21 ARG 17 -6.821 -0.349 -20.670 135 2HH2 ARG 17 HH22 ARG 17 -7.068 0.557 -19.220 136 H ARG 18 HN ARG 18 1.034 -0.972 -22.451 137 HA ARG 18 HA ARG 18 -0.598 -0.471 -24.743 138 1HB ARG 18 HB2 ARG 18 0.961 1.367 -25.196 139 2HB ARG 18 HB1 ARG 18 0.459 1.353 -23.511 140 1HG ARG 18 HG2 ARG 18 2.576 0.246 -22.916 141 2HG ARG 18 HG1 ARG 18 3.079 0.348 -24.603 142 1HD ARG 18 HD2 ARG 18 2.886 2.807 -24.478 143 2HD ARG 18 HD1 ARG 18 2.467 2.667 -22.771 144 HE ARG 18 HE ARG 18 4.697 2.495 -22.310 145 1HH1 ARG 18 HH11 ARG 18 4.189 1.532 -25.611 146 2HH1 ARG 18 HH12 ARG 18 5.861 1.222 -25.901 147 1HH2 ARG 18 HH21 ARG 18 6.867 2.066 -22.682 148 2HH2 ARG 18 HH22 ARG 18 7.369 1.535 -24.266 Start of MODEL 21 1 1H ILE 1 HT1 ILE 1 3.347 3.983 3.382 2 2H ILE 1 HT2 ILE 1 1.816 3.568 2.794 3 3H ILE 1 HT3 ILE 1 2.541 5.019 2.312 4 HA ILE 1 HA ILE 1 4.046 2.594 1.786 5 HB ILE 1 HB ILE 1 1.834 1.822 1.179 6 1HG1 ILE 1 HG12 ILE 1 3.341 2.657 -1.310 7 2HG1 ILE 1 HG11 ILE 1 3.713 1.246 -0.325 8 1HG2 ILE 1 HG21 ILE 1 1.218 3.670 -0.954 9 2HG2 ILE 1 HG22 ILE 1 1.304 4.486 0.607 10 3HG2 ILE 1 HG23 ILE 1 0.214 3.117 0.386 11 1HD1 ILE 1 HD11 ILE 1 0.957 1.186 -1.088 12 2HD1 ILE 1 HD12 ILE 1 2.244 0.034 -1.444 13 3HD1 ILE 1 HD13 ILE 1 1.974 1.412 -2.511 14 HA PRO 2 HA PRO 2 6.442 5.768 -0.197 15 1HB PRO 2 HB2 PRO 2 7.422 3.557 -1.917 16 2HB PRO 2 HB1 PRO 2 8.331 4.684 -0.905 17 1HG PRO 2 HG2 PRO 2 8.012 2.143 -0.169 18 2HG PRO 2 HG1 PRO 2 7.966 3.454 1.025 19 1HD PRO 2 HD2 PRO 2 5.706 1.907 -0.183 20 2HD PRO 2 HD1 PRO 2 5.923 2.467 1.489 21 H GLU 3 HN GLU 3 6.131 7.104 -1.891 22 HA GLU 3 HA GLU 3 3.991 6.872 -3.627 23 1HB GLU 3 HB2 GLU 3 6.485 8.463 -4.209 24 2HB GLU 3 HB1 GLU 3 4.856 8.794 -4.776 25 1HG GLU 3 HG2 GLU 3 5.788 8.949 -1.918 26 2HG GLU 3 HG1 GLU 3 5.533 10.317 -2.998 27 H SER 4 HN SER 4 7.371 6.090 -4.216 28 HA SER 4 HA SER 4 7.203 5.530 -6.956 29 1HB SER 4 HB2 SER 4 9.310 4.270 -6.642 30 2HB SER 4 HB1 SER 4 9.346 5.847 -5.855 31 HG SER 4 HG SER 4 10.025 3.741 -4.693 32 H SER 5 HN SER 5 6.487 3.497 -4.172 33 HA SER 5 HA SER 5 6.475 0.997 -5.441 34 1HB SER 5 HB2 SER 5 6.377 1.196 -3.038 35 2HB SER 5 HB1 SER 5 4.800 1.976 -3.126 36 HG SER 5 HG SER 5 4.096 0.000 -2.925 37 H GLU 6 HN GLU 6 3.732 3.231 -4.894 38 HA GLU 6 HA GLU 6 1.839 1.656 -6.282 39 1HB GLU 6 HB2 GLU 6 1.894 4.614 -5.687 40 2HB GLU 6 HB1 GLU 6 0.524 3.796 -6.425 41 1HG GLU 6 HG2 GLU 6 0.530 2.270 -4.402 42 2HG GLU 6 HG1 GLU 6 1.653 3.415 -3.673 43 H LEU 7 HN LEU 7 4.034 4.203 -7.313 44 HA LEU 7 HA LEU 7 3.075 4.496 -9.954 45 1HB LEU 7 HB2 LEU 7 5.851 4.928 -8.845 46 2HB LEU 7 HB1 LEU 7 5.319 5.449 -10.432 47 HG LEU 7 HG LEU 7 4.195 6.431 -7.806 48 1HD1 LEU 7 HD11 LEU 7 6.153 7.619 -9.753 49 2HD1 LEU 7 HD12 LEU 7 6.367 7.328 -8.026 50 3HD1 LEU 7 HD13 LEU 7 5.262 8.587 -8.579 51 1HD2 LEU 7 HD21 LEU 7 3.042 8.093 -9.204 52 2HD2 LEU 7 HD22 LEU 7 2.520 6.446 -9.560 53 3HD2 LEU 7 HD23 LEU 7 3.635 7.272 -10.648 54 H THR 8 HN THR 8 5.464 2.298 -8.506 55 HA THR 8 HA THR 8 6.357 1.167 -10.973 56 HB THR 8 HB THR 8 6.290 -0.331 -8.359 57 HG1 THR 8 HG1 THR 8 7.253 1.793 -8.063 58 1HG2 THR 8 HG21 THR 8 8.150 -0.398 -10.733 59 2HG2 THR 8 HG22 THR 8 6.980 -1.635 -10.275 60 3HG2 THR 8 HG23 THR 8 8.377 -1.319 -9.247 61 H LEU 9 HN LEU 9 3.770 0.391 -8.722 62 HA LEU 9 HA LEU 9 2.936 -2.078 -9.691 63 1HB LEU 9 HB2 LEU 9 2.062 -1.199 -7.644 64 2HB LEU 9 HB1 LEU 9 1.383 0.193 -8.465 65 HG LEU 9 HG LEU 9 -0.130 -1.416 -9.699 66 1HD1 LEU 9 HD11 LEU 9 0.284 -3.378 -7.522 67 2HD1 LEU 9 HD12 LEU 9 1.457 -3.364 -8.839 68 3HD1 LEU 9 HD13 LEU 9 -0.254 -3.619 -9.184 69 1HD2 LEU 9 HD21 LEU 9 -0.382 -1.234 -6.701 70 2HD2 LEU 9 HD22 LEU 9 -1.690 -1.589 -7.830 71 3HD2 LEU 9 HD23 LEU 9 -0.899 -0.013 -7.865 72 H GLN 10 HN GLN 10 2.042 1.182 -10.797 73 HA GLN 10 HA GLN 10 0.066 0.416 -12.640 74 1HB GLN 10 HB2 GLN 10 0.383 2.741 -11.938 75 2HB GLN 10 HB1 GLN 10 1.938 2.785 -12.755 76 1HG GLN 10 HG2 GLN 10 0.787 2.388 -14.901 77 2HG GLN 10 HG1 GLN 10 -0.757 2.439 -14.054 78 1HE2 GLN 10 HE21 GLN 10 1.112 4.179 -15.988 79 2HE2 GLN 10 HE22 GLN 10 0.730 5.776 -15.457 80 H GLU 11 HN GLU 11 3.579 0.758 -13.001 81 HA GLU 11 HA GLU 11 3.593 0.167 -15.795 82 1HB GLU 11 HB2 GLU 11 5.471 1.355 -14.843 83 2HB GLU 11 HB1 GLU 11 5.799 0.032 -13.731 84 1HG GLU 11 HG2 GLU 11 6.430 -1.408 -15.557 85 2HG GLU 11 HG1 GLU 11 5.978 -0.173 -16.730 86 H LEU 12 HN LEU 12 4.324 -1.781 -12.881 87 HA LEU 12 HA LEU 12 4.866 -4.195 -14.216 88 1HB LEU 12 HB2 LEU 12 3.621 -3.802 -11.495 89 2HB LEU 12 HB1 LEU 12 4.330 -5.295 -12.079 90 HG LEU 12 HG LEU 12 5.811 -2.710 -11.599 91 1HD1 LEU 12 HD11 LEU 12 5.817 -3.389 -9.481 92 2HD1 LEU 12 HD12 LEU 12 6.872 -4.702 -10.006 93 3HD1 LEU 12 HD13 LEU 12 5.130 -4.958 -9.901 94 1HD2 LEU 12 HD21 LEU 12 6.506 -4.552 -13.431 95 2HD2 LEU 12 HD22 LEU 12 7.254 -5.253 -11.996 96 3HD2 LEU 12 HD23 LEU 12 7.674 -3.616 -12.499 97 H LEU 13 HN LEU 13 1.781 -3.078 -12.786 98 HA LEU 13 HA LEU 13 0.394 -5.249 -14.190 99 1HB LEU 13 HB2 LEU 13 -0.006 -4.787 -11.749 100 2HB LEU 13 HB1 LEU 13 -0.742 -3.267 -12.218 101 HG LEU 13 HG LEU 13 -2.462 -4.515 -13.489 102 1HD1 LEU 13 HD11 LEU 13 -2.339 -7.064 -12.412 103 2HD1 LEU 13 HD12 LEU 13 -0.683 -6.722 -12.914 104 3HD1 LEU 13 HD13 LEU 13 -2.000 -6.607 -14.081 105 1HD2 LEU 13 HD21 LEU 13 -2.988 -3.815 -11.257 106 2HD2 LEU 13 HD22 LEU 13 -2.152 -5.209 -10.573 107 3HD2 LEU 13 HD23 LEU 13 -3.634 -5.437 -11.501 108 H GLY 14 HN GLY 14 1.366 -3.394 -15.951 109 1HA GLY 14 HA2 GLY 14 -1.072 -2.477 -17.186 110 2HA GLY 14 HA1 GLY 14 -0.063 -1.161 -16.611 111 H GLU 15 HN GLU 15 2.455 -1.812 -17.265 112 HA GLU 15 HA GLU 15 2.446 -1.512 -20.115 113 1HB GLU 15 HB2 GLU 15 4.086 -0.410 -18.571 114 2HB GLU 15 HB1 GLU 15 4.827 -1.983 -18.312 115 1HG GLU 15 HG2 GLU 15 6.092 -0.722 -19.931 116 2HG GLU 15 HG1 GLU 15 5.349 -2.122 -20.703 117 H GLU 16 HN GLU 16 3.290 -4.145 -17.910 118 HA GLU 16 HA GLU 16 4.257 -5.900 -19.956 119 1HB GLU 16 HB2 GLU 16 4.866 -6.040 -17.526 120 2HB GLU 16 HB1 GLU 16 3.236 -6.607 -17.196 121 1HG GLU 16 HG2 GLU 16 3.639 -8.562 -18.619 122 2HG GLU 16 HG1 GLU 16 5.281 -7.995 -18.916 123 H ARG 17 HN ARG 17 1.310 -4.677 -19.598 124 HA ARG 17 HA ARG 17 0.011 -6.959 -20.876 125 1HB ARG 17 HB2 ARG 17 -1.789 -7.078 -19.404 126 2HB ARG 17 HB1 ARG 17 -0.428 -6.820 -18.321 127 1HG ARG 17 HG2 ARG 17 -0.980 -4.435 -18.212 128 2HG ARG 17 HG1 ARG 17 -2.358 -4.715 -19.275 129 1HD ARG 17 HD2 ARG 17 -3.446 -6.058 -17.641 130 2HD ARG 17 HD1 ARG 17 -2.001 -6.107 -16.630 131 HE ARG 17 HE ARG 17 -2.622 -4.107 -15.735 132 1HH1 ARG 17 HH11 ARG 17 -4.307 -4.488 -18.741 133 2HH1 ARG 17 HH12 ARG 17 -5.175 -3.005 -18.572 134 1HH2 ARG 17 HH21 ARG 17 -3.711 -2.181 -15.544 135 2HH2 ARG 17 HH22 ARG 17 -4.834 -1.698 -16.768 136 H ARG 18 HN ARG 18 1.034 -4.303 -21.744 137 HA ARG 18 HA ARG 18 -1.185 -2.590 -22.254 138 1HB ARG 18 HB2 ARG 18 0.318 -1.417 -23.812 139 2HB ARG 18 HB1 ARG 18 1.077 -1.699 -22.252 140 1HG ARG 18 HG2 ARG 18 2.615 -3.130 -23.100 141 2HG ARG 18 HG1 ARG 18 1.533 -3.726 -24.354 142 1HD ARG 18 HD2 ARG 18 3.241 -2.500 -25.452 143 2HD ARG 18 HD1 ARG 18 1.791 -1.502 -25.494 144 HE ARG 18 HE ARG 18 3.319 -0.801 -23.222 145 1HH1 ARG 18 HH11 ARG 18 3.336 -0.535 -26.686 146 2HH1 ARG 18 HH12 ARG 18 4.373 0.845 -26.698 147 1HH2 ARG 18 HH21 ARG 18 4.704 0.958 -23.228 148 2HH2 ARG 18 HH22 ARG 18 5.145 1.693 -24.747 Start of MODEL 22 1 1H ILE 1 HT1 ILE 1 11.409 6.959 -0.988 2 2H ILE 1 HT2 ILE 1 11.008 8.082 -2.189 3 3H ILE 1 HT3 ILE 1 10.907 6.424 -2.515 4 HA ILE 1 HA ILE 1 9.344 7.414 -0.274 5 HB ILE 1 HB ILE 1 8.893 9.178 -1.823 6 1HG1 ILE 1 HG12 ILE 1 6.465 8.700 -2.447 7 2HG1 ILE 1 HG11 ILE 1 6.715 7.093 -1.773 8 1HG2 ILE 1 HG21 ILE 1 7.849 8.444 -4.116 9 2HG2 ILE 1 HG22 ILE 1 8.832 7.005 -3.845 10 3HG2 ILE 1 HG23 ILE 1 9.594 8.594 -3.909 11 1HD1 ILE 1 HD11 ILE 1 7.092 7.970 0.393 12 2HD1 ILE 1 HD12 ILE 1 5.648 8.759 -0.242 13 3HD1 ILE 1 HD13 ILE 1 7.187 9.620 -0.221 14 HA PRO 2 HA PRO 2 8.245 3.111 -0.873 15 1HB PRO 2 HB2 PRO 2 6.428 3.453 1.380 16 2HB PRO 2 HB1 PRO 2 7.909 2.499 1.278 17 1HG PRO 2 HG2 PRO 2 7.714 4.744 2.781 18 2HG PRO 2 HG1 PRO 2 9.228 4.227 2.018 19 1HD PRO 2 HD2 PRO 2 7.274 6.318 1.125 20 2HD PRO 2 HD1 PRO 2 9.050 6.367 1.137 21 H GLU 3 HN GLU 3 6.995 4.449 -2.786 22 HA GLU 3 HA GLU 3 4.229 4.830 -2.582 23 1HB GLU 3 HB2 GLU 3 5.824 4.035 -5.019 24 2HB GLU 3 HB1 GLU 3 4.204 4.719 -5.034 25 1HG GLU 3 HG2 GLU 3 5.038 6.779 -4.062 26 2HG GLU 3 HG1 GLU 3 6.659 6.095 -3.967 27 H SER 4 HN SER 4 6.073 1.977 -3.452 28 HA SER 4 HA SER 4 5.578 -0.216 -3.746 29 1HB SER 4 HB2 SER 4 4.087 -1.227 -2.063 30 2HB SER 4 HB1 SER 4 5.206 -0.073 -1.345 31 HG SER 4 HG SER 4 3.297 1.455 -1.692 32 H SER 5 HN SER 5 2.214 0.484 -2.977 33 HA SER 5 HA SER 5 1.135 -1.061 -5.019 34 1HB SER 5 HB2 SER 5 -0.133 1.343 -3.697 35 2HB SER 5 HB1 SER 5 -0.986 0.052 -4.541 36 HG SER 5 HG SER 5 -0.031 0.124 -1.991 37 H GLU 6 HN GLU 6 1.667 2.464 -4.963 38 HA GLU 6 HA GLU 6 0.554 3.055 -7.463 39 1HB GLU 6 HB2 GLU 6 2.836 4.423 -6.027 40 2HB GLU 6 HB1 GLU 6 1.973 5.092 -7.404 41 1HG GLU 6 HG2 GLU 6 0.757 4.430 -4.731 42 2HG GLU 6 HG1 GLU 6 1.216 6.039 -5.282 43 H LEU 7 HN LEU 7 3.863 2.146 -6.592 44 HA LEU 7 HA LEU 7 4.990 2.393 -9.169 45 1HB LEU 7 HB2 LEU 7 5.798 0.642 -6.845 46 2HB LEU 7 HB1 LEU 7 6.777 0.910 -8.274 47 HG LEU 7 HG LEU 7 5.942 3.059 -6.324 48 1HD1 LEU 7 HD11 LEU 7 7.500 1.543 -5.279 49 2HD1 LEU 7 HD12 LEU 7 8.325 3.050 -5.679 50 3HD1 LEU 7 HD13 LEU 7 8.566 1.620 -6.683 51 1HD2 LEU 7 HD21 LEU 7 7.695 4.371 -7.539 52 2HD2 LEU 7 HD22 LEU 7 6.251 4.016 -8.487 53 3HD2 LEU 7 HD23 LEU 7 7.729 3.089 -8.750 54 H THR 8 HN THR 8 3.567 -0.376 -7.451 55 HA THR 8 HA THR 8 4.064 -2.294 -9.486 56 HB THR 8 HB THR 8 1.691 -2.456 -7.653 57 HG1 THR 8 HG1 THR 8 3.471 -1.892 -6.314 58 1HG2 THR 8 HG21 THR 8 1.725 -4.677 -8.073 59 2HG2 THR 8 HG22 THR 8 3.486 -4.747 -8.126 60 3HG2 THR 8 HG23 THR 8 2.583 -4.172 -9.528 61 H LEU 9 HN LEU 9 1.240 -0.281 -8.726 62 HA LEU 9 HA LEU 9 -0.536 -1.208 -10.670 63 1HB LEU 9 HB2 LEU 9 -1.226 0.270 -8.887 64 2HB LEU 9 HB1 LEU 9 -0.185 1.546 -9.487 65 HG LEU 9 HG LEU 9 -1.605 1.531 -11.593 66 1HD1 LEU 9 HD11 LEU 9 -2.813 -0.427 -11.590 67 2HD1 LEU 9 HD12 LEU 9 -4.004 0.722 -10.981 68 3HD1 LEU 9 HD13 LEU 9 -3.153 -0.343 -9.862 69 1HD2 LEU 9 HD21 LEU 9 -1.866 2.858 -9.174 70 2HD2 LEU 9 HD22 LEU 9 -3.506 2.340 -9.565 71 3HD2 LEU 9 HD23 LEU 9 -2.594 3.319 -10.713 72 H GLN 10 HN GLN 10 1.881 1.379 -10.856 73 HA GLN 10 HA GLN 10 1.342 2.287 -13.447 74 1HB GLN 10 HB2 GLN 10 2.772 3.514 -11.918 75 2HB GLN 10 HB1 GLN 10 3.945 2.206 -11.915 76 1HG GLN 10 HG2 GLN 10 4.331 2.604 -14.325 77 2HG GLN 10 HG1 GLN 10 3.234 3.981 -14.238 78 1HE2 GLN 10 HE21 GLN 10 4.212 5.853 -14.034 79 2HE2 GLN 10 HE22 GLN 10 5.727 6.132 -13.257 80 H GLU 11 HN GLU 11 3.466 -0.326 -12.328 81 HA GLU 11 HA GLU 11 4.467 -0.918 -14.945 82 1HB GLU 11 HB2 GLU 11 5.755 -1.468 -12.930 83 2HB GLU 11 HB1 GLU 11 4.505 -2.600 -12.431 84 1HG GLU 11 HG2 GLU 11 4.952 -3.996 -14.354 85 2HG GLU 11 HG1 GLU 11 6.135 -2.835 -14.952 86 H LEU 12 HN LEU 12 2.065 -2.498 -12.809 87 HA LEU 12 HA LEU 12 1.373 -4.579 -14.572 88 1HB LEU 12 HB2 LEU 12 -0.372 -3.181 -12.545 89 2HB LEU 12 HB1 LEU 12 -0.731 -4.723 -13.297 90 HG LEU 12 HG LEU 12 1.590 -4.155 -11.457 91 1HD1 LEU 12 HD11 LEU 12 -0.333 -4.207 -10.124 92 2HD1 LEU 12 HD12 LEU 12 0.312 -5.846 -10.033 93 3HD1 LEU 12 HD13 LEU 12 -1.066 -5.497 -11.077 94 1HD2 LEU 12 HD21 LEU 12 1.174 -6.232 -13.380 95 2HD2 LEU 12 HD22 LEU 12 1.126 -6.916 -11.755 96 3HD2 LEU 12 HD23 LEU 12 2.532 -5.990 -12.281 97 H LEU 13 HN LEU 13 -0.109 -1.363 -14.164 98 HA LEU 13 HA LEU 13 -1.762 -1.853 -16.529 99 1HB LEU 13 HB2 LEU 13 -1.829 0.176 -14.339 100 2HB LEU 13 HB1 LEU 13 -2.612 0.532 -15.868 101 HG LEU 13 HG LEU 13 -3.883 -1.637 -15.583 102 1HD1 LEU 13 HD11 LEU 13 -3.413 -1.470 -12.667 103 2HD1 LEU 13 HD12 LEU 13 -2.170 -2.248 -13.646 104 3HD1 LEU 13 HD13 LEU 13 -3.825 -2.856 -13.676 105 1HD2 LEU 13 HD21 LEU 13 -4.505 0.261 -13.357 106 2HD2 LEU 13 HD22 LEU 13 -5.604 -0.577 -14.454 107 3HD2 LEU 13 HD23 LEU 13 -4.638 0.779 -15.038 108 H GLY 14 HN GLY 14 0.899 -1.702 -17.070 109 1HA GLY 14 HA2 GLY 14 0.944 0.528 -18.929 110 2HA GLY 14 HA1 GLY 14 2.207 0.555 -17.708 111 H GLU 15 HN GLU 15 3.907 -0.890 -17.828 112 HA GLU 15 HA GLU 15 4.562 -1.861 -20.411 113 1HB GLU 15 HB2 GLU 15 5.862 -2.356 -17.729 114 2HB GLU 15 HB1 GLU 15 6.537 -2.895 -19.262 115 1HG GLU 15 HG2 GLU 15 6.568 -0.530 -20.016 116 2HG GLU 15 HG1 GLU 15 6.040 -0.053 -18.405 117 H GLU 16 HN GLU 16 3.110 -3.395 -17.608 118 HA GLU 16 HA GLU 16 3.364 -6.026 -18.818 119 1HB GLU 16 HB2 GLU 16 2.303 -5.021 -16.211 120 2HB GLU 16 HB1 GLU 16 1.817 -6.615 -16.784 121 1HG GLU 16 HG2 GLU 16 4.633 -5.660 -16.313 122 2HG GLU 16 HG1 GLU 16 3.728 -6.813 -15.329 123 H ARG 17 HN ARG 17 0.990 -3.507 -18.504 124 HA ARG 17 HA ARG 17 -1.291 -5.013 -19.293 125 1HB ARG 17 HB2 ARG 17 -1.324 -2.784 -18.124 126 2HB ARG 17 HB1 ARG 17 -0.823 -2.047 -19.638 127 1HG ARG 17 HG2 ARG 17 -2.993 -3.437 -20.455 128 2HG ARG 17 HG1 ARG 17 -3.452 -3.041 -18.796 129 1HD ARG 17 HD2 ARG 17 -4.225 -1.263 -20.174 130 2HD ARG 17 HD1 ARG 17 -2.814 -0.662 -19.299 131 HE ARG 17 HE ARG 17 -2.122 -1.759 -21.851 132 1HH1 ARG 17 HH11 ARG 17 -3.325 1.096 -20.284 133 2HH1 ARG 17 HH12 ARG 17 -2.847 2.131 -21.581 134 1HH2 ARG 17 HH21 ARG 17 -1.530 -0.470 -23.488 135 2HH2 ARG 17 HH22 ARG 17 -1.813 1.249 -23.403 136 H ARG 18 HN ARG 18 0.849 -2.760 -21.037 137 HA ARG 18 HA ARG 18 1.348 -2.468 -23.234 138 1HB ARG 18 HB2 ARG 18 0.628 -5.388 -23.509 139 2HB ARG 18 HB1 ARG 18 1.730 -4.462 -24.527 140 1HG ARG 18 HG2 ARG 18 3.354 -4.325 -22.854 141 2HG ARG 18 HG1 ARG 18 2.205 -4.753 -21.588 142 1HD ARG 18 HD2 ARG 18 2.015 -7.010 -22.790 143 2HD ARG 18 HD1 ARG 18 3.490 -6.530 -23.631 144 HE ARG 18 HE ARG 18 3.958 -6.147 -20.924 145 1HH1 ARG 18 HH11 ARG 18 3.261 -8.781 -23.052 146 2HH1 ARG 18 HH12 ARG 18 4.050 -9.953 -22.059 147 1HH2 ARG 18 HH21 ARG 18 4.970 -7.683 -19.597 148 2HH2 ARG 18 HH22 ARG 18 5.006 -9.333 -20.122 Start of MODEL 23 1 1H ILE 1 HT1 ILE 1 7.330 4.860 2.054 2 2H ILE 1 HT2 ILE 1 7.683 3.553 3.073 3 3H ILE 1 HT3 ILE 1 6.985 4.957 3.710 4 HA ILE 1 HA ILE 1 5.258 3.367 3.558 5 HB ILE 1 HB ILE 1 5.070 5.215 1.168 6 1HG1 ILE 1 HG12 ILE 1 5.696 6.463 3.172 7 2HG1 ILE 1 HG11 ILE 1 4.039 6.834 2.710 8 1HG2 ILE 1 HG21 ILE 1 3.315 3.426 1.378 9 2HG2 ILE 1 HG22 ILE 1 2.717 5.085 1.340 10 3HG2 ILE 1 HG23 ILE 1 2.807 4.215 2.871 11 1HD1 ILE 1 HD11 ILE 1 3.290 5.184 4.437 12 2HD1 ILE 1 HD12 ILE 1 4.097 6.619 5.067 13 3HD1 ILE 1 HD13 ILE 1 4.968 5.089 4.972 14 HA PRO 2 HA PRO 2 5.939 0.023 0.676 15 1HB PRO 2 HB2 PRO 2 3.493 -1.174 0.771 16 2HB PRO 2 HB1 PRO 2 4.700 -1.322 2.052 17 1HG PRO 2 HG2 PRO 2 2.298 0.450 1.906 18 2HG PRO 2 HG1 PRO 2 2.936 -0.463 3.285 19 1HD PRO 2 HD2 PRO 2 3.335 2.201 2.969 20 2HD PRO 2 HD1 PRO 2 4.507 1.147 3.779 21 H GLU 3 HN GLU 3 5.651 2.295 -0.696 22 HA GLU 3 HA GLU 3 3.426 2.482 -2.440 23 1HB GLU 3 HB2 GLU 3 6.238 3.539 -2.771 24 2HB GLU 3 HB1 GLU 3 4.821 4.082 -3.662 25 1HG GLU 3 HG2 GLU 3 4.014 5.287 -1.927 26 2HG GLU 3 HG1 GLU 3 4.656 4.181 -0.714 27 H SER 4 HN SER 4 5.759 0.131 -2.345 28 HA SER 4 HA SER 4 6.555 -0.296 -4.975 29 1HB SER 4 HB2 SER 4 6.760 -2.708 -4.300 30 2HB SER 4 HB1 SER 4 7.542 -1.579 -3.194 31 HG SER 4 HG SER 4 6.042 -3.358 -2.370 32 H SER 5 HN SER 5 3.530 -1.122 -3.375 33 HA SER 5 HA SER 5 2.462 -2.781 -5.402 34 1HB SER 5 HB2 SER 5 0.969 -1.002 -3.466 35 2HB SER 5 HB1 SER 5 0.296 -2.356 -4.371 36 HG SER 5 HG SER 5 1.698 -2.357 -2.045 37 H GLU 6 HN GLU 6 2.236 0.704 -4.799 38 HA GLU 6 HA GLU 6 0.547 1.300 -7.002 39 1HB GLU 6 HB2 GLU 6 0.972 2.802 -5.029 40 2HB GLU 6 HB1 GLU 6 2.572 3.115 -5.676 41 1HG GLU 6 HG2 GLU 6 1.575 4.073 -7.690 42 2HG GLU 6 HG1 GLU 6 -0.033 3.765 -7.037 43 H LEU 7 HN LEU 7 4.040 1.373 -6.485 44 HA LEU 7 HA LEU 7 4.814 2.299 -9.020 45 1HB LEU 7 HB2 LEU 7 6.288 0.503 -7.097 46 2HB LEU 7 HB1 LEU 7 7.015 1.270 -8.495 47 HG LEU 7 HG LEU 7 5.833 2.706 -6.116 48 1HD1 LEU 7 HD11 LEU 7 8.520 1.728 -6.778 49 2HD1 LEU 7 HD12 LEU 7 7.803 2.118 -5.215 50 3HD1 LEU 7 HD13 LEU 7 8.446 3.404 -6.236 51 1HD2 LEU 7 HD21 LEU 7 7.373 3.862 -8.435 52 2HD2 LEU 7 HD22 LEU 7 6.596 4.735 -7.114 53 3HD2 LEU 7 HD23 LEU 7 5.613 3.891 -8.311 54 H THR 8 HN THR 8 4.369 -1.067 -7.850 55 HA THR 8 HA THR 8 5.227 -2.259 -10.283 56 HB THR 8 HB THR 8 3.885 -4.276 -9.485 57 HG1 THR 8 HG1 THR 8 3.721 -2.812 -7.054 58 1HG2 THR 8 HG21 THR 8 5.969 -3.106 -7.643 59 2HG2 THR 8 HG22 THR 8 6.286 -4.036 -9.107 60 3HG2 THR 8 HG23 THR 8 5.504 -4.805 -7.725 61 H LEU 9 HN LEU 9 2.024 -1.300 -9.092 62 HA LEU 9 HA LEU 9 0.555 -2.284 -11.309 63 1HB LEU 9 HB2 LEU 9 -0.602 -1.701 -9.288 64 2HB LEU 9 HB1 LEU 9 0.006 -0.057 -9.347 65 HG LEU 9 HG LEU 9 -1.311 0.269 -11.456 66 1HD1 LEU 9 HD11 LEU 9 -3.080 -1.981 -10.799 67 2HD1 LEU 9 HD12 LEU 9 -1.525 -2.429 -11.498 68 3HD1 LEU 9 HD13 LEU 9 -2.598 -1.331 -12.366 69 1HD2 LEU 9 HD21 LEU 9 -3.465 0.504 -10.290 70 2HD2 LEU 9 HD22 LEU 9 -2.114 1.117 -9.335 71 3HD2 LEU 9 HD23 LEU 9 -2.828 -0.450 -8.951 72 H GLN 10 HN GLN 10 1.960 0.871 -10.555 73 HA GLN 10 HA GLN 10 1.155 2.322 -12.804 74 1HB GLN 10 HB2 GLN 10 2.157 3.250 -10.743 75 2HB GLN 10 HB1 GLN 10 3.702 2.554 -11.193 76 1HG GLN 10 HG2 GLN 10 3.756 3.996 -13.176 77 2HG GLN 10 HG1 GLN 10 2.221 4.712 -12.675 78 1HE2 GLN 10 HE21 GLN 10 2.365 6.508 -11.531 79 2HE2 GLN 10 HE22 GLN 10 3.723 7.009 -10.592 80 H GLU 11 HN GLU 11 4.099 0.400 -12.263 81 HA GLU 11 HA GLU 11 5.321 0.915 -14.765 82 1HB GLU 11 HB2 GLU 11 6.461 -0.015 -12.742 83 2HB GLU 11 HB1 GLU 11 5.626 -1.536 -13.017 84 1HG GLU 11 HG2 GLU 11 6.756 -1.793 -15.152 85 2HG GLU 11 HG1 GLU 11 7.564 -0.242 -14.922 86 H LEU 12 HN LEU 12 3.243 -1.712 -13.627 87 HA LEU 12 HA LEU 12 3.212 -3.289 -15.944 88 1HB LEU 12 HB2 LEU 12 2.366 -4.308 -14.038 89 2HB LEU 12 HB1 LEU 12 1.400 -2.917 -13.595 90 HG LEU 12 HG LEU 12 -0.109 -3.471 -15.545 91 1HD1 LEU 12 HD11 LEU 12 1.625 -4.931 -16.665 92 2HD1 LEU 12 HD12 LEU 12 -0.013 -5.579 -16.583 93 3HD1 LEU 12 HD13 LEU 12 1.222 -6.161 -15.466 94 1HD2 LEU 12 HD21 LEU 12 -0.590 -4.011 -13.170 95 2HD2 LEU 12 HD22 LEU 12 0.119 -5.604 -13.432 96 3HD2 LEU 12 HD23 LEU 12 -1.330 -5.127 -14.317 97 H LEU 13 HN LEU 13 0.961 -0.733 -14.896 98 HA LEU 13 HA LEU 13 -0.717 -0.898 -17.163 99 1HB LEU 13 HB2 LEU 13 -1.390 0.106 -15.036 100 2HB LEU 13 HB1 LEU 13 -0.239 1.405 -15.275 101 HG LEU 13 HG LEU 13 -1.526 2.083 -17.314 102 1HD1 LEU 13 HD11 LEU 13 -3.637 1.187 -17.798 103 2HD1 LEU 13 HD12 LEU 13 -3.705 0.302 -16.274 104 3HD1 LEU 13 HD13 LEU 13 -2.595 -0.214 -17.545 105 1HD2 LEU 13 HD21 LEU 13 -2.232 3.550 -15.795 106 2HD2 LEU 13 HD22 LEU 13 -2.301 2.324 -14.529 107 3HD2 LEU 13 HD23 LEU 13 -3.665 2.536 -15.626 108 H GLY 14 HN GLY 14 2.033 1.248 -16.449 109 1HA GLY 14 HA2 GLY 14 1.699 2.789 -18.831 110 2HA GLY 14 HA1 GLY 14 3.055 2.860 -17.733 111 H GLU 15 HN GLU 15 4.453 0.633 -17.969 112 HA GLU 15 HA GLU 15 5.257 0.714 -20.767 113 1HB GLU 15 HB2 GLU 15 6.921 1.082 -18.992 114 2HB GLU 15 HB1 GLU 15 6.647 -0.553 -18.407 115 1HG GLU 15 HG2 GLU 15 7.476 -1.468 -20.493 116 2HG GLU 15 HG1 GLU 15 7.685 0.157 -21.143 117 H GLU 16 HN GLU 16 4.515 -1.841 -18.381 118 HA GLU 16 HA GLU 16 4.924 -3.983 -20.156 119 1HB GLU 16 HB2 GLU 16 4.831 -4.184 -17.690 120 2HB GLU 16 HB1 GLU 16 3.097 -3.903 -17.752 121 1HG GLU 16 HG2 GLU 16 2.728 -5.946 -18.909 122 2HG GLU 16 HG1 GLU 16 4.456 -6.187 -19.155 123 H ARG 17 HN ARG 17 1.908 -2.308 -19.269 124 HA ARG 17 HA ARG 17 0.394 -3.869 -21.191 125 1HB ARG 17 HB2 ARG 17 -0.570 -3.284 -19.016 126 2HB ARG 17 HB1 ARG 17 -0.437 -1.576 -19.409 127 1HG ARG 17 HG2 ARG 17 -1.952 -2.051 -21.376 128 2HG ARG 17 HG1 ARG 17 -2.245 -3.628 -20.638 129 1HD ARG 17 HD2 ARG 17 -3.523 -2.764 -18.991 130 2HD ARG 17 HD1 ARG 17 -2.514 -1.326 -18.825 131 HE ARG 17 HE ARG 17 -4.923 -1.507 -20.265 132 1HH1 ARG 17 HH11 ARG 17 -1.799 -0.063 -20.362 133 2HH1 ARG 17 HH12 ARG 17 -2.215 1.114 -21.576 134 1HH2 ARG 17 HH21 ARG 17 -5.525 0.082 -21.767 135 2HH2 ARG 17 HH22 ARG 17 -4.346 1.222 -22.310 136 H ARG 18 HN ARG 18 1.036 -0.364 -20.748 137 HA ARG 18 HA ARG 18 1.218 1.372 -22.201 138 1HB ARG 18 HB2 ARG 18 1.476 -0.769 -24.315 139 2HB ARG 18 HB1 ARG 18 1.754 0.946 -24.581 140 1HG ARG 18 HG2 ARG 18 3.597 0.908 -22.998 141 2HG ARG 18 HG1 ARG 18 3.303 -0.803 -22.684 142 1HD ARG 18 HD2 ARG 18 4.235 0.471 -25.251 143 2HD ARG 18 HD1 ARG 18 5.123 -0.648 -24.220 144 HE ARG 18 HE ARG 18 3.372 -1.340 -26.306 145 1HH1 ARG 18 HH11 ARG 18 4.216 -2.328 -23.092 146 2HH1 ARG 18 HH12 ARG 18 3.675 -3.956 -23.328 147 1HH2 ARG 18 HH21 ARG 18 2.707 -3.461 -26.620 148 2HH2 ARG 18 HH22 ARG 18 2.845 -4.596 -25.324 Start of MODEL 24 1 1H ILE 1 HT1 ILE 1 6.314 7.169 0.179 2 2H ILE 1 HT2 ILE 1 6.327 7.875 1.730 3 3H ILE 1 HT3 ILE 1 5.575 8.676 0.442 4 HA ILE 1 HA ILE 1 4.516 6.746 2.226 5 HB ILE 1 HB ILE 1 2.365 7.424 1.203 6 1HG1 ILE 1 HG12 ILE 1 3.995 9.274 -0.532 7 2HG1 ILE 1 HG11 ILE 1 3.378 7.725 -1.106 8 1HG2 ILE 1 HG21 ILE 1 4.143 8.998 2.689 9 2HG2 ILE 1 HG22 ILE 1 2.390 9.174 2.584 10 3HG2 ILE 1 HG23 ILE 1 3.438 10.078 1.489 11 1HD1 ILE 1 HD11 ILE 1 1.485 9.660 0.120 12 2HD1 ILE 1 HD12 ILE 1 1.213 8.445 -1.129 13 3HD1 ILE 1 HD13 ILE 1 2.061 9.940 -1.523 14 HA PRO 2 HA PRO 2 4.098 2.708 0.558 15 1HB PRO 2 HB2 PRO 2 1.307 3.571 -0.054 16 2HB PRO 2 HB1 PRO 2 1.888 2.109 0.748 17 1HG PRO 2 HG2 PRO 2 1.029 4.491 2.003 18 2HG PRO 2 HG1 PRO 2 1.810 3.106 2.781 19 1HD PRO 2 HD2 PRO 2 2.910 5.664 2.579 20 2HD PRO 2 HD1 PRO 2 3.838 4.180 2.880 21 H GLU 3 HN GLU 3 5.536 3.512 -1.214 22 HA GLU 3 HA GLU 3 4.476 4.325 -3.711 23 1HB GLU 3 HB2 GLU 3 7.132 3.076 -2.987 24 2HB GLU 3 HB1 GLU 3 6.747 3.715 -4.577 25 1HG GLU 3 HG2 GLU 3 7.890 5.469 -3.676 26 2HG GLU 3 HG1 GLU 3 6.238 5.907 -3.255 27 H SER 4 HN SER 4 4.613 1.331 -2.140 28 HA SER 4 HA SER 4 5.013 -0.583 -4.058 29 1HB SER 4 HB2 SER 4 3.411 -2.012 -2.734 30 2HB SER 4 HB1 SER 4 4.675 -1.238 -1.779 31 HG SER 4 HG SER 4 2.284 -1.140 -1.115 32 H SER 5 HN SER 5 1.895 1.052 -3.407 33 HA SER 5 HA SER 5 0.435 -0.380 -5.365 34 1HB SER 5 HB2 SER 5 -0.081 2.351 -4.196 35 2HB SER 5 HB1 SER 5 -1.225 1.447 -5.186 36 HG SER 5 HG SER 5 -1.763 0.370 -3.472 37 H GLU 6 HN GLU 6 2.077 2.776 -5.503 38 HA GLU 6 HA GLU 6 1.297 3.366 -8.164 39 1HB GLU 6 HB2 GLU 6 3.488 4.386 -6.380 40 2HB GLU 6 HB1 GLU 6 3.377 4.900 -8.059 41 1HG GLU 6 HG2 GLU 6 1.063 5.671 -7.608 42 2HG GLU 6 HG1 GLU 6 1.312 5.280 -5.905 43 H LEU 7 HN LEU 7 4.200 1.879 -6.776 44 HA LEU 7 HA LEU 7 5.600 1.574 -9.199 45 1HB LEU 7 HB2 LEU 7 5.736 0.031 -6.618 46 2HB LEU 7 HB1 LEU 7 6.838 -0.230 -7.954 47 HG LEU 7 HG LEU 7 6.522 2.332 -6.395 48 1HD1 LEU 7 HD11 LEU 7 8.707 0.263 -6.495 49 2HD1 LEU 7 HD12 LEU 7 7.682 0.661 -5.115 50 3HD1 LEU 7 HD13 LEU 7 8.856 1.834 -5.715 51 1HD2 LEU 7 HD21 LEU 7 7.253 3.257 -8.303 52 2HD2 LEU 7 HD22 LEU 7 7.767 1.709 -8.975 53 3HD2 LEU 7 HD23 LEU 7 8.811 2.569 -7.842 54 H THR 8 HN THR 8 3.299 -0.593 -7.527 55 HA THR 8 HA THR 8 3.614 -2.706 -9.432 56 HB THR 8 HB THR 8 1.347 -3.480 -8.543 57 HG1 THR 8 HG1 THR 8 1.827 -1.580 -6.488 58 1HG2 THR 8 HG21 THR 8 2.306 -4.344 -6.521 59 2HG2 THR 8 HG22 THR 8 3.514 -3.060 -6.492 60 3HG2 THR 8 HG23 THR 8 3.566 -4.292 -7.753 61 H LEU 9 HN LEU 9 1.263 -0.070 -9.071 62 HA LEU 9 HA LEU 9 -0.374 -0.727 -11.258 63 1HB LEU 9 HB2 LEU 9 -1.033 0.910 -9.586 64 2HB LEU 9 HB1 LEU 9 0.285 1.964 -10.064 65 HG LEU 9 HG LEU 9 -0.798 2.129 -12.333 66 1HD1 LEU 9 HD11 LEU 9 -3.389 1.688 -12.021 67 2HD1 LEU 9 HD12 LEU 9 -2.789 0.434 -10.935 68 3HD1 LEU 9 HD13 LEU 9 -2.295 0.446 -12.628 69 1HD2 LEU 9 HD21 LEU 9 -0.960 3.892 -10.647 70 2HD2 LEU 9 HD22 LEU 9 -2.396 3.116 -9.977 71 3HD2 LEU 9 HD23 LEU 9 -2.431 3.775 -11.613 72 H GLN 10 HN GLN 10 2.427 1.499 -11.072 73 HA GLN 10 HA GLN 10 2.423 2.262 -13.780 74 1HB GLN 10 HB2 GLN 10 3.702 3.432 -12.026 75 2HB GLN 10 HB1 GLN 10 4.778 2.049 -11.893 76 1HG GLN 10 HG2 GLN 10 5.551 2.394 -14.163 77 2HG GLN 10 HG1 GLN 10 4.419 3.732 -14.363 78 1HE2 GLN 10 HE21 GLN 10 5.265 5.649 -14.126 79 2HE2 GLN 10 HE22 GLN 10 6.639 6.053 -13.162 80 H GLU 11 HN GLU 11 3.966 -0.451 -12.121 81 HA GLU 11 HA GLU 11 5.476 -1.393 -14.322 82 1HB GLU 11 HB2 GLU 11 5.901 -2.064 -11.985 83 2HB GLU 11 HB1 GLU 11 4.382 -2.946 -11.967 84 1HG GLU 11 HG2 GLU 11 5.211 -4.468 -13.656 85 2HG GLU 11 HG1 GLU 11 6.711 -3.550 -13.775 86 H LEU 12 HN LEU 12 2.237 -2.319 -13.139 87 HA LEU 12 HA LEU 12 1.761 -4.310 -15.073 88 1HB LEU 12 HB2 LEU 12 -0.228 -2.487 -13.709 89 2HB LEU 12 HB1 LEU 12 -0.632 -3.952 -14.583 90 HG LEU 12 HG LEU 12 1.062 -3.846 -12.091 91 1HD1 LEU 12 HD11 LEU 12 -0.967 -3.464 -11.166 92 2HD1 LEU 12 HD12 LEU 12 -1.125 -5.209 -11.370 93 3HD1 LEU 12 HD13 LEU 12 -1.844 -4.114 -12.551 94 1HD2 LEU 12 HD21 LEU 12 -0.200 -6.321 -13.155 95 2HD2 LEU 12 HD22 LEU 12 1.274 -6.122 -12.209 96 3HD2 LEU 12 HD23 LEU 12 1.269 -5.728 -13.928 97 H LEU 13 HN LEU 13 0.959 -0.835 -15.081 98 HA LEU 13 HA LEU 13 0.054 -1.002 -17.832 99 1HB LEU 13 HB2 LEU 13 0.172 1.208 -15.819 100 2HB LEU 13 HB1 LEU 13 -0.098 1.569 -17.515 101 HG LEU 13 HG LEU 13 -2.034 -0.097 -17.389 102 1HD1 LEU 13 HD11 LEU 13 -1.065 -0.718 -14.961 103 2HD1 LEU 13 HD12 LEU 13 -2.747 -0.951 -15.434 104 3HD1 LEU 13 HD13 LEU 13 -2.280 0.479 -14.515 105 1HD2 LEU 13 HD21 LEU 13 -1.894 2.623 -16.982 106 2HD2 LEU 13 HD22 LEU 13 -2.857 2.059 -15.617 107 3HD2 LEU 13 HD23 LEU 13 -3.366 1.690 -17.265 108 H GLY 14 HN GLY 14 2.661 -1.806 -17.597 109 1HA GLY 14 HA2 GLY 14 3.930 -0.027 -19.495 110 2HA GLY 14 HA1 GLY 14 4.777 -0.155 -17.959 111 H GLU 15 HN GLU 15 4.582 -2.758 -17.287 112 HA GLU 15 HA GLU 15 6.399 -4.030 -19.113 113 1HB GLU 15 HB2 GLU 15 6.548 -4.237 -16.639 114 2HB GLU 15 HB1 GLU 15 5.034 -5.126 -16.641 115 1HG GLU 15 HG2 GLU 15 7.026 -6.555 -16.416 116 2HG GLU 15 HG1 GLU 15 6.037 -6.951 -17.821 117 H GLU 16 HN GLU 16 3.091 -4.772 -18.013 118 HA GLU 16 HA GLU 16 2.791 -6.939 -19.864 119 1HB GLU 16 HB2 GLU 16 1.577 -6.636 -17.628 120 2HB GLU 16 HB1 GLU 16 0.552 -5.478 -18.465 121 1HG GLU 16 HG2 GLU 16 -0.241 -7.163 -19.965 122 2HG GLU 16 HG1 GLU 16 0.911 -8.334 -19.331 123 H ARG 17 HN ARG 17 1.784 -3.552 -19.747 124 HA ARG 17 HA ARG 17 0.435 -3.687 -22.308 125 1HB ARG 17 HB2 ARG 17 0.868 -1.534 -20.269 126 2HB ARG 17 HB1 ARG 17 0.360 -1.100 -21.890 127 1HG ARG 17 HG2 ARG 17 -1.658 -2.391 -21.665 128 2HG ARG 17 HG1 ARG 17 -1.132 -3.012 -20.101 129 1HD ARG 17 HD2 ARG 17 -1.324 -0.863 -19.093 130 2HD ARG 17 HD1 ARG 17 -1.535 -0.075 -20.652 131 HE ARG 17 HE ARG 17 -3.547 -1.565 -19.157 132 1HH1 ARG 17 HH11 ARG 17 -2.711 0.145 -22.052 133 2HH1 ARG 17 HH12 ARG 17 -4.356 0.325 -22.559 134 1HH2 ARG 17 HH21 ARG 17 -5.686 -1.315 -19.820 135 2HH2 ARG 17 HH22 ARG 17 -6.022 -0.487 -21.296 136 H ARG 18 HN ARG 18 3.113 -4.432 -22.723 137 HA ARG 18 HA ARG 18 4.621 -2.134 -23.636 138 1HB ARG 18 HB2 ARG 18 5.113 -5.099 -23.880 139 2HB ARG 18 HB1 ARG 18 6.146 -3.911 -24.657 140 1HG ARG 18 HG2 ARG 18 6.489 -2.904 -22.361 141 2HG ARG 18 HG1 ARG 18 5.716 -4.353 -21.721 142 1HD ARG 18 HD2 ARG 18 7.418 -5.720 -22.913 143 2HD ARG 18 HD1 ARG 18 8.225 -4.229 -23.395 144 HE ARG 18 HE ARG 18 7.830 -4.671 -20.540 145 1HH1 ARG 18 HH11 ARG 18 9.959 -4.748 -23.252 146 2HH1 ARG 18 HH12 ARG 18 11.383 -4.835 -22.283 147 1HH2 ARG 18 HH21 ARG 18 9.664 -4.810 -19.258 148 2HH2 ARG 18 HH22 ARG 18 11.224 -4.858 -20.037
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