NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
538144 | 2lm8 | 18102 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 1.806 0.000 0.856 2 HA LYS 1 HA LYS 1 1.415 -0.226 -2.049 3 HB2 LYS 1 2HB LYS 1 3.239 1.682 -0.586 4 HB3 LYS 1 3HB LYS 1 3.428 1.299 -2.292 5 HG2 LYS 1 2HG LYS 1 2.176 3.181 -2.474 6 HG3 LYS 1 3HG LYS 1 0.877 1.991 -2.360 7 HD2 LYS 1 2HD LYS 1 1.170 2.448 0.228 8 HD3 LYS 1 3HD LYS 1 1.821 3.981 -0.358 9 HE2 LYS 1 2HE LYS 1 -0.194 4.579 -1.377 10 HE3 LYS 1 3HE LYS 1 -0.801 2.924 -1.358 11 HZ1 LYS 1 3HZ LYS 1 -0.324 4.505 1.104 12 HZ2 LYS 1 1HZ LYS 1 -1.152 3.037 0.965 13 HZ3 LYS 1 2HZ LYS 1 -1.819 4.448 0.314 14 H TRP 2 H TRP 2 3.525 -0.827 -3.161 15 HA TRP 2 HA TRP 2 4.953 -2.794 -1.494 16 HB2 TRP 2 2HB TRP 2 4.737 -4.351 -3.115 17 HB3 TRP 2 3HB TRP 2 3.438 -3.319 -3.707 18 HD1 TRP 2 HD1 TRP 2 4.304 -1.422 -5.626 19 HE1 TRP 2 HE1 TRP 2 5.941 -1.806 -7.575 20 HE3 TRP 2 HE3 TRP 2 6.646 -5.626 -3.901 21 HZ2 TRP 2 HZ2 TRP 2 7.958 -3.648 -8.286 22 HZ3 TRP 2 HZ3 TRP 2 8.418 -6.637 -5.276 23 HH2 TRP 2 HH2 TRP 2 9.059 -5.668 -7.423 24 H PHE 3 H PHE 3 7.102 -3.437 -2.802 25 HA PHE 3 HA PHE 3 8.888 -1.346 -2.468 26 HB2 PHE 3 2HB PHE 3 8.984 -4.062 -3.465 27 HB3 PHE 3 3HB PHE 3 10.063 -3.018 -4.384 28 HD1 PHE 3 HD1 PHE 3 11.286 -1.239 -2.642 29 HD2 PHE 3 HD2 PHE 3 10.049 -5.226 -1.815 30 HE1 PHE 3 HE1 PHE 3 12.958 -1.380 -0.842 31 HE2 PHE 3 HE2 PHE 3 11.718 -5.374 -0.013 32 HZ PHE 3 HZ PHE 3 13.174 -3.449 0.476 33 H ARG 4 H ARG 4 10.480 -0.812 -4.447 34 HA ARG 4 HA ARG 4 9.188 1.081 -6.011 35 HB2 ARG 4 2HB ARG 4 11.861 -0.231 -6.091 36 HB3 ARG 4 3HB ARG 4 11.357 0.682 -7.507 37 HG2 ARG 4 2HG ARG 4 12.464 2.291 -6.317 38 HG3 ARG 4 3HG ARG 4 10.811 2.538 -5.750 39 HD2 ARG 4 2HD ARG 4 12.225 2.557 -3.837 40 HD3 ARG 4 3HD ARG 4 11.345 1.029 -3.823 41 HE ARG 4 HE ARG 4 13.739 0.551 -5.126 42 HH11 ARG 4 1HH1 ARG 4 12.694 1.576 -1.967 43 HH12 ARG 4 2HH1 ARG 4 14.060 0.892 -1.150 44 HH21 ARG 4 1HH2 ARG 4 15.542 -0.353 -4.062 45 HH22 ARG 4 2HH2 ARG 4 15.680 -0.204 -2.343 46 H VAL 5 H VAL 5 8.017 0.999 -7.816 47 HA VAL 5 HA VAL 5 7.281 -1.478 -8.984 48 HB VAL 5 HB VAL 5 5.977 -0.188 -10.560 49 HG11 VAL 5 1HG1 VAL 5 5.960 0.843 -7.736 50 HG12 VAL 5 2HG1 VAL 5 4.738 1.302 -8.924 51 HG13 VAL 5 3HG1 VAL 5 4.925 -0.389 -8.458 52 HG21 VAL 5 3HG2 VAL 5 7.522 1.525 -11.187 53 HG22 VAL 5 1HG2 VAL 5 6.094 2.309 -10.512 54 HG23 VAL 5 2HG2 VAL 5 7.561 2.166 -9.544 55 H TYR 6 H TYR 6 7.271 -1.546 -11.537 56 HA TYR 6 HA TYR 6 9.713 -0.601 -12.752 57 HB2 TYR 6 2HB TYR 6 9.329 -3.463 -11.962 58 HB3 TYR 6 3HB TYR 6 10.216 -3.087 -13.435 59 HD1 TYR 6 HD2 TYR 6 12.283 -1.663 -13.281 60 HD2 TYR 6 HD1 TYR 6 10.336 -3.226 -9.836 61 HE1 TYR 6 HE2 TYR 6 14.321 -1.274 -11.960 62 HE2 TYR 6 HE1 TYR 6 12.368 -2.839 -8.505 63 HH TYR 6 HH TYR 6 15.221 -2.540 -9.548 64 H ARG 7 H ARG 7 9.885 -1.443 -15.055 65 HA ARG 7 HA ARG 7 7.362 -1.029 -16.341 66 HB2 ARG 7 2HB ARG 7 9.914 -1.927 -17.671 67 HB3 ARG 7 3HB ARG 7 8.576 -1.039 -18.388 68 HG2 ARG 7 2HG ARG 7 10.402 0.034 -16.248 69 HG3 ARG 7 3HG ARG 7 10.558 0.360 -17.975 70 HD2 ARG 7 2HD ARG 7 8.107 1.001 -16.343 71 HD3 ARG 7 3HD ARG 7 9.397 2.153 -16.683 72 HE ARG 7 HE ARG 7 7.322 1.314 -18.466 73 HH11 ARG 7 1HH1 ARG 7 10.589 2.501 -18.281 74 HH12 ARG 7 2HH1 ARG 7 10.563 3.201 -19.866 75 HH21 ARG 7 1HH2 ARG 7 7.275 2.231 -20.554 76 HH22 ARG 7 2HH2 ARG 7 8.677 3.047 -21.158 77 H GLY 8 H GLY 8 5.881 -2.591 -16.420 78 HA2 GLY 8 2HA GLY 8 5.617 -4.720 -17.862 79 HA3 GLY 8 3HA GLY 8 6.778 -5.378 -16.718 80 H ILE 9 H ILE 9 5.472 -3.663 -14.577 81 HA ILE 9 HA ILE 9 2.972 -5.171 -14.248 82 HB ILE 9 HB ILE 9 4.666 -6.360 -12.962 83 HG12 ILE 9 2HG1 ILE 9 3.587 -6.232 -10.732 84 HG13 ILE 9 3HG1 ILE 9 2.776 -4.751 -11.230 85 HG21 ILE 9 1HG2 ILE 9 5.065 -3.920 -11.266 86 HG22 ILE 9 2HG2 ILE 9 6.035 -5.390 -11.339 87 HG23 ILE 9 3HG2 ILE 9 6.077 -4.239 -12.674 88 HD11 ILE 9 3HD1 ILE 9 2.433 -7.390 -12.625 89 HD12 ILE 9 1HD1 ILE 9 1.377 -6.808 -11.339 90 HD13 ILE 9 2HD1 ILE 9 1.492 -5.917 -12.856 91 H TYR 10 H TYR 10 1.317 -3.928 -13.665 92 HA TYR 10 HA TYR 10 1.732 -1.132 -13.142 93 HB2 TYR 10 2HB TYR 10 -0.616 -2.899 -13.620 94 HB3 TYR 10 3HB TYR 10 -0.898 -1.383 -12.771 95 HD1 TYR 10 HD1 TYR 10 1.446 -2.166 -15.564 96 HD2 TYR 10 HD2 TYR 10 -1.987 -0.001 -14.289 97 HE1 TYR 10 HE1 TYR 10 1.406 -0.976 -17.716 98 HE2 TYR 10 HE2 TYR 10 -2.038 1.195 -16.438 99 HH TYR 10 HH TYR 10 -1.148 0.623 -18.884 100 H ARG 11 H ARG 11 2.362 -0.483 -11.193 101 HA ARG 11 HA ARG 11 0.771 -1.158 -8.880 102 HB2 ARG 11 2HB ARG 11 3.615 -2.075 -9.186 103 HB3 ARG 11 3HB ARG 11 2.956 -1.719 -7.595 104 HG2 ARG 11 2HG ARG 11 1.035 -3.328 -8.395 105 HG3 ARG 11 3HG ARG 11 2.300 -3.925 -9.472 106 HD2 ARG 11 2HD ARG 11 3.577 -4.731 -7.748 107 HD3 ARG 11 3HD ARG 11 2.947 -3.559 -6.592 108 HE ARG 11 HE ARG 11 1.927 -6.168 -7.109 109 HH11 ARG 11 1HH1 ARG 11 1.005 -2.938 -6.194 110 HH12 ARG 11 2HH1 ARG 11 -0.415 -3.445 -5.340 111 HH21 ARG 11 1HH2 ARG 11 0.061 -6.848 -5.988 112 HH22 ARG 11 2HH2 ARG 11 -0.950 -5.670 -5.223 113 H ARG 12 H ARG 12 1.985 -0.090 -6.855 114 HA ARG 12 HA ARG 12 3.111 2.490 -7.691 115 HB2 ARG 12 2HB ARG 12 0.669 2.736 -7.263 116 HB3 ARG 12 3HB ARG 12 0.936 2.180 -5.616 117 HG2 ARG 12 2HG ARG 12 0.969 4.418 -5.257 118 HG3 ARG 12 3HG ARG 12 2.679 4.170 -5.616 119 HD2 ARG 12 2HD ARG 12 2.516 5.115 -7.708 120 HD3 ARG 12 3HD ARG 12 0.796 4.752 -7.852 121 HE ARG 12 HE ARG 12 1.245 6.625 -5.779 122 HH11 ARG 12 1HH1 ARG 12 1.177 6.336 -9.247 123 HH12 ARG 12 2HH1 ARG 12 0.751 7.995 -9.508 124 HH21 ARG 12 1HH2 ARG 12 0.683 8.811 -6.109 125 HH22 ARG 12 2HH2 ARG 12 0.471 9.402 -7.722 126 H ARG 13 H ARG 13 4.946 2.895 -6.662 127 HA ARG 13 HA ARG 13 5.761 1.272 -4.426 128 HB2 ARG 13 2HB ARG 13 7.902 2.340 -4.644 129 HB3 ARG 13 3HB ARG 13 7.313 1.956 -6.256 130 HG2 ARG 13 2HG ARG 13 6.715 4.235 -6.655 131 HG3 ARG 13 3HG ARG 13 7.058 4.667 -4.979 132 HD2 ARG 13 2HD ARG 13 9.358 4.468 -5.270 133 HD3 ARG 13 3HD ARG 13 9.184 3.470 -6.713 134 HE ARG 13 HE ARG 13 8.105 6.051 -7.150 135 HH11 ARG 13 1HH1 ARG 13 11.129 4.352 -6.858 136 HH12 ARG 13 2HH1 ARG 13 12.002 5.467 -7.856 137 HH21 ARG 13 1HH2 ARG 13 9.243 7.527 -8.465 138 HH22 ARG 13 2HH2 ARG 13 10.928 7.274 -8.769 Start of MODEL 2 1 H1 LYS 1 H LYS 1 0.769 -0.957 0.170 2 HA LYS 1 HA LYS 1 1.603 0.453 -2.142 3 HB2 LYS 1 2HB LYS 1 2.498 1.460 0.528 4 HB3 LYS 1 3HB LYS 1 3.626 1.504 -0.820 5 HG2 LYS 1 2HG LYS 1 2.541 3.623 -0.673 6 HG3 LYS 1 3HG LYS 1 1.942 2.795 -2.112 7 HD2 LYS 1 2HD LYS 1 -0.068 2.124 -0.895 8 HD3 LYS 1 3HD LYS 1 0.536 2.925 0.557 9 HE2 LYS 1 2HE LYS 1 0.298 4.493 -1.967 10 HE3 LYS 1 3HE LYS 1 -1.163 4.125 -1.053 11 HZ1 LYS 1 3HZ LYS 1 -0.465 6.151 -0.204 12 HZ2 LYS 1 1HZ LYS 1 1.173 5.728 -0.226 13 HZ3 LYS 1 2HZ LYS 1 0.139 5.048 0.927 14 H TRP 2 H TRP 2 3.476 -0.403 -3.032 15 HA TRP 2 HA TRP 2 4.722 -2.601 -1.516 16 HB2 TRP 2 2HB TRP 2 4.380 -4.076 -3.190 17 HB3 TRP 2 3HB TRP 2 3.132 -2.948 -3.712 18 HD1 TRP 2 HD1 TRP 2 4.069 -1.029 -5.576 19 HE1 TRP 2 HE1 TRP 2 5.640 -1.430 -7.575 20 HE3 TRP 2 HE3 TRP 2 6.193 -5.428 -4.069 21 HZ2 TRP 2 HZ2 TRP 2 7.529 -3.357 -8.404 22 HZ3 TRP 2 HZ3 TRP 2 7.873 -6.486 -5.523 23 HH2 TRP 2 HH2 TRP 2 8.525 -5.470 -7.645 24 H PHE 3 H PHE 3 6.801 -3.315 -2.897 25 HA PHE 3 HA PHE 3 8.715 -1.347 -2.524 26 HB2 PHE 3 2HB PHE 3 8.628 -4.022 -3.627 27 HB3 PHE 3 3HB PHE 3 9.748 -3.007 -4.529 28 HD1 PHE 3 HD1 PHE 3 11.112 -1.374 -2.751 29 HD2 PHE 3 HD2 PHE 3 9.655 -5.311 -2.046 30 HE1 PHE 3 HE1 PHE 3 12.809 -1.685 -0.996 31 HE2 PHE 3 HE2 PHE 3 11.349 -5.628 -0.291 32 HZ PHE 3 HZ PHE 3 12.928 -3.814 0.237 33 H ARG 4 H ARG 4 10.294 -0.829 -4.517 34 HA ARG 4 HA ARG 4 9.084 1.197 -5.976 35 HB2 ARG 4 2HB ARG 4 11.654 -0.316 -6.318 36 HB3 ARG 4 3HB ARG 4 11.168 0.888 -7.505 37 HG2 ARG 4 2HG ARG 4 10.961 2.512 -5.578 38 HG3 ARG 4 3HG ARG 4 11.776 1.296 -4.593 39 HD2 ARG 4 2HD ARG 4 13.677 1.327 -6.136 40 HD3 ARG 4 3HD ARG 4 12.860 2.543 -7.117 41 HE ARG 4 HE ARG 4 13.552 4.130 -5.631 42 HH11 ARG 4 1HH1 ARG 4 13.725 1.011 -4.094 43 HH12 ARG 4 2HH1 ARG 4 14.486 1.615 -2.660 44 HH21 ARG 4 1HH2 ARG 4 14.554 4.937 -3.748 45 HH22 ARG 4 2HH2 ARG 4 14.956 3.849 -2.464 46 H VAL 5 H VAL 5 7.878 1.259 -7.759 47 HA VAL 5 HA VAL 5 6.948 -1.111 -8.996 48 HB VAL 5 HB VAL 5 5.736 0.322 -10.521 49 HG11 VAL 5 1HG1 VAL 5 5.827 1.359 -7.694 50 HG12 VAL 5 2HG1 VAL 5 4.586 1.806 -8.865 51 HG13 VAL 5 3HG1 VAL 5 4.753 0.126 -8.354 52 HG21 VAL 5 3HG2 VAL 5 6.250 2.925 -9.864 53 HG22 VAL 5 1HG2 VAL 5 7.863 2.211 -9.842 54 HG23 VAL 5 2HG2 VAL 5 6.868 2.097 -11.294 55 H TYR 6 H TYR 6 7.442 -2.058 -10.928 56 HA TYR 6 HA TYR 6 9.782 -0.979 -12.360 57 HB2 TYR 6 2HB TYR 6 10.000 -3.190 -10.998 58 HB3 TYR 6 3HB TYR 6 9.108 -3.904 -12.336 59 HD1 TYR 6 HD2 TYR 6 12.206 -2.063 -11.471 60 HD2 TYR 6 HD1 TYR 6 10.187 -4.439 -14.366 61 HE1 TYR 6 HE2 TYR 6 14.300 -2.285 -12.740 62 HE2 TYR 6 HE1 TYR 6 12.276 -4.669 -15.643 63 HH TYR 6 HH TYR 6 14.545 -3.065 -15.764 64 H ARG 7 H ARG 7 9.898 -1.481 -14.645 65 HA ARG 7 HA ARG 7 7.420 -1.035 -15.963 66 HB2 ARG 7 2HB ARG 7 10.203 -1.629 -16.955 67 HB3 ARG 7 3HB ARG 7 8.845 -1.412 -18.051 68 HG2 ARG 7 2HG ARG 7 9.859 0.678 -17.978 69 HG3 ARG 7 3HG ARG 7 8.490 0.830 -16.874 70 HD2 ARG 7 2HD ARG 7 9.880 0.650 -14.973 71 HD3 ARG 7 3HD ARG 7 11.248 0.091 -15.934 72 HE ARG 7 HE ARG 7 10.512 2.792 -15.425 73 HH11 ARG 7 1HH1 ARG 7 11.918 0.692 -17.819 74 HH12 ARG 7 2HH1 ARG 7 12.843 1.951 -18.569 75 HH21 ARG 7 1HH2 ARG 7 11.725 4.457 -16.403 76 HH22 ARG 7 2HH2 ARG 7 12.733 4.092 -17.762 77 H GLY 8 H GLY 8 5.916 -2.563 -16.159 78 HA2 GLY 8 2HA GLY 8 5.676 -4.621 -17.718 79 HA3 GLY 8 3HA GLY 8 6.764 -5.351 -16.546 80 H ILE 9 H ILE 9 5.426 -3.735 -14.378 81 HA ILE 9 HA ILE 9 2.871 -5.185 -14.237 82 HB ILE 9 HB ILE 9 4.481 -6.452 -12.919 83 HG12 ILE 9 2HG1 ILE 9 3.301 -6.370 -10.730 84 HG13 ILE 9 3HG1 ILE 9 2.525 -4.873 -11.234 85 HG21 ILE 9 1HG2 ILE 9 4.838 -4.082 -11.116 86 HG22 ILE 9 2HG2 ILE 9 5.784 -5.567 -11.193 87 HG23 ILE 9 3HG2 ILE 9 5.914 -4.372 -12.483 88 HD11 ILE 9 3HD1 ILE 9 2.211 -7.128 -13.086 89 HD12 ILE 9 1HD1 ILE 9 1.440 -7.323 -11.511 90 HD13 ILE 9 2HD1 ILE 9 1.036 -5.938 -12.526 91 H TYR 10 H TYR 10 1.211 -3.935 -13.683 92 HA TYR 10 HA TYR 10 1.618 -1.164 -13.091 93 HB2 TYR 10 2HB TYR 10 -0.773 -2.926 -13.480 94 HB3 TYR 10 3HB TYR 10 -0.983 -1.330 -12.769 95 HD1 TYR 10 HD2 TYR 10 -0.516 0.689 -14.085 96 HD2 TYR 10 HD1 TYR 10 -0.212 -3.190 -15.808 97 HE1 TYR 10 HE2 TYR 10 -0.535 1.691 -16.330 98 HE2 TYR 10 HE1 TYR 10 -0.229 -2.198 -18.058 99 HH TYR 10 HH TYR 10 -1.106 1.004 -18.649 100 H ARG 11 H ARG 11 2.249 -0.532 -11.137 101 HA ARG 11 HA ARG 11 0.674 -1.275 -8.824 102 HB2 ARG 11 2HB ARG 11 3.557 -2.053 -9.148 103 HB3 ARG 11 3HB ARG 11 2.884 -1.748 -7.552 104 HG2 ARG 11 2HG ARG 11 1.125 -3.461 -8.080 105 HG3 ARG 11 3HG ARG 11 2.057 -3.858 -9.524 106 HD2 ARG 11 2HD ARG 11 3.790 -4.769 -8.321 107 HD3 ARG 11 3HD ARG 11 3.442 -3.802 -6.888 108 HE ARG 11 HE ARG 11 2.452 -6.397 -7.462 109 HH11 ARG 11 1HH1 ARG 11 1.560 -3.361 -6.010 110 HH12 ARG 11 2HH1 ARG 11 0.403 -4.067 -4.932 111 HH21 ARG 11 1HH2 ARG 11 0.931 -7.339 -6.047 112 HH22 ARG 11 2HH2 ARG 11 0.047 -6.330 -4.953 113 H ARG 12 H ARG 12 1.828 -0.164 -6.796 114 HA ARG 12 HA ARG 12 2.912 2.439 -7.587 115 HB2 ARG 12 2HB ARG 12 0.474 2.718 -7.358 116 HB3 ARG 12 3HB ARG 12 0.561 2.083 -5.720 117 HG2 ARG 12 2HG ARG 12 1.887 3.972 -5.014 118 HG3 ARG 12 3HG ARG 12 1.937 4.587 -6.667 119 HD2 ARG 12 2HD ARG 12 -0.653 4.533 -6.488 120 HD3 ARG 12 3HD ARG 12 -0.358 4.483 -4.750 121 HE ARG 12 HE ARG 12 0.179 6.697 -4.834 122 HH11 ARG 12 1HH1 ARG 12 0.448 5.364 -8.039 123 HH12 ARG 12 2HH1 ARG 12 0.758 6.894 -8.790 124 HH21 ARG 12 1HH2 ARG 12 0.586 8.717 -5.812 125 HH22 ARG 12 2HH2 ARG 12 0.838 8.801 -7.522 126 H ARG 13 H ARG 13 4.520 3.114 -6.304 127 HA ARG 13 HA ARG 13 5.695 1.466 -4.400 128 HB2 ARG 13 2HB ARG 13 5.967 4.471 -4.577 129 HB3 ARG 13 3HB ARG 13 7.108 3.358 -3.835 130 HG2 ARG 13 2HG ARG 13 7.294 2.292 -6.151 131 HG3 ARG 13 3HG ARG 13 6.496 3.752 -6.740 132 HD2 ARG 13 2HD ARG 13 8.331 4.992 -5.389 133 HD3 ARG 13 3HD ARG 13 9.179 3.448 -5.451 134 HE ARG 13 HE ARG 13 8.290 4.248 -8.030 135 HH11 ARG 13 1HH1 ARG 13 10.741 4.837 -5.628 136 HH12 ARG 13 2HH1 ARG 13 11.921 5.376 -6.777 137 HH21 ARG 13 1HH2 ARG 13 9.835 4.956 -9.551 138 HH22 ARG 13 2HH2 ARG 13 11.405 5.444 -9.008 Start of MODEL 3 1 H1 LYS 1 H LYS 1 0.810 -0.230 0.550 2 HA LYS 1 HA LYS 1 1.707 0.273 -2.181 3 HB2 LYS 1 2HB LYS 1 2.896 1.117 0.469 4 HB3 LYS 1 3HB LYS 1 3.486 1.610 -1.113 5 HG2 LYS 1 2HG LYS 1 2.218 3.423 -0.595 6 HG3 LYS 1 3HG LYS 1 0.995 2.435 -1.398 7 HD2 LYS 1 2HD LYS 1 0.069 1.740 0.668 8 HD3 LYS 1 3HD LYS 1 1.447 2.365 1.577 9 HE2 LYS 1 2HE LYS 1 -0.138 4.258 -0.086 10 HE3 LYS 1 3HE LYS 1 -0.832 3.691 1.432 11 HZ1 LYS 1 3HZ LYS 1 0.998 5.728 1.094 12 HZ2 LYS 1 1HZ LYS 1 1.868 4.461 1.801 13 HZ3 LYS 1 2HZ LYS 1 0.478 5.057 2.557 14 H TRP 2 H TRP 2 3.330 -0.789 -3.157 15 HA TRP 2 HA TRP 2 4.718 -2.862 -1.591 16 HB2 TRP 2 2HB TRP 2 4.419 -4.334 -3.277 17 HB3 TRP 2 3HB TRP 2 3.157 -3.224 -3.806 18 HD1 TRP 2 HD1 TRP 2 4.081 -1.279 -5.649 19 HE1 TRP 2 HE1 TRP 2 5.679 -1.643 -7.634 20 HE3 TRP 2 HE3 TRP 2 6.263 -5.651 -4.144 21 HZ2 TRP 2 HZ2 TRP 2 7.608 -3.533 -8.454 22 HZ3 TRP 2 HZ3 TRP 2 7.975 -6.672 -5.587 23 HH2 TRP 2 HH2 TRP 2 8.632 -5.634 -7.697 24 H PHE 3 H PHE 3 6.824 -3.534 -2.955 25 HA PHE 3 HA PHE 3 8.700 -1.537 -2.551 26 HB2 PHE 3 2HB PHE 3 8.670 -4.207 -3.670 27 HB3 PHE 3 3HB PHE 3 9.781 -3.168 -4.555 28 HD1 PHE 3 HD1 PHE 3 11.101 -1.523 -2.755 29 HD2 PHE 3 HD2 PHE 3 9.701 -5.487 -2.085 30 HE1 PHE 3 HE1 PHE 3 12.785 -1.816 -0.985 31 HE2 PHE 3 HE2 PHE 3 11.382 -5.785 -0.314 32 HZ PHE 3 HZ PHE 3 12.927 -3.948 0.239 33 H ARG 4 H ARG 4 10.291 -0.981 -4.525 34 HA ARG 4 HA ARG 4 9.063 1.033 -5.986 35 HB2 ARG 4 2HB ARG 4 11.581 0.549 -5.523 36 HB3 ARG 4 3HB ARG 4 11.508 -0.357 -7.028 37 HG2 ARG 4 2HG ARG 4 11.256 1.512 -8.306 38 HG3 ARG 4 3HG ARG 4 10.454 2.417 -7.021 39 HD2 ARG 4 2HD ARG 4 12.497 3.467 -7.092 40 HD3 ARG 4 3HD ARG 4 12.785 2.248 -5.852 41 HE ARG 4 HE ARG 4 13.477 1.249 -8.408 42 HH11 ARG 4 1HH1 ARG 4 14.570 3.429 -5.924 43 HH12 ARG 4 2HH1 ARG 4 16.245 3.265 -6.334 44 HH21 ARG 4 1HH2 ARG 4 15.680 1.024 -8.958 45 HH22 ARG 4 2HH2 ARG 4 16.875 1.897 -8.061 46 H VAL 5 H VAL 5 7.872 1.083 -7.780 47 HA VAL 5 HA VAL 5 7.027 -1.311 -9.050 48 HB VAL 5 HB VAL 5 5.743 0.098 -10.538 49 HG11 VAL 5 1HG1 VAL 5 5.806 0.965 -7.662 50 HG12 VAL 5 2HG1 VAL 5 4.597 1.563 -8.800 51 HG13 VAL 5 3HG1 VAL 5 4.700 -0.162 -8.447 52 HG21 VAL 5 3HG2 VAL 5 7.530 2.280 -9.505 53 HG22 VAL 5 1HG2 VAL 5 7.211 1.811 -11.175 54 HG23 VAL 5 2HG2 VAL 5 5.962 2.627 -10.235 55 H TYR 6 H TYR 6 7.302 -1.928 -11.250 56 HA TYR 6 HA TYR 6 9.657 -0.787 -12.588 57 HB2 TYR 6 2HB TYR 6 9.148 -3.641 -11.844 58 HB3 TYR 6 3HB TYR 6 10.052 -3.284 -13.311 59 HD1 TYR 6 HD1 TYR 6 10.052 -3.023 -9.642 60 HD2 TYR 6 HD2 TYR 6 12.289 -2.408 -13.209 61 HE1 TYR 6 HE1 TYR 6 12.097 -2.742 -8.304 62 HE2 TYR 6 HE2 TYR 6 14.340 -2.127 -11.881 63 HH TYR 6 HH TYR 6 15.247 -2.217 -9.853 64 H ARG 7 H ARG 7 9.803 -1.530 -14.905 65 HA ARG 7 HA ARG 7 7.305 -1.014 -16.192 66 HB2 ARG 7 2HB ARG 7 10.061 -1.685 -17.212 67 HB3 ARG 7 3HB ARG 7 8.690 -1.476 -18.293 68 HG2 ARG 7 2HG ARG 7 9.737 0.599 -18.294 69 HG3 ARG 7 3HG ARG 7 8.391 0.804 -17.171 70 HD2 ARG 7 2HD ARG 7 9.814 0.645 -15.290 71 HD3 ARG 7 3HD ARG 7 11.157 0.050 -16.265 72 HE ARG 7 HE ARG 7 10.364 2.790 -15.887 73 HH11 ARG 7 1HH1 ARG 7 12.052 0.544 -17.943 74 HH12 ARG 7 2HH1 ARG 7 13.058 1.757 -18.663 75 HH21 ARG 7 1HH2 ARG 7 11.683 4.396 -16.827 76 HH22 ARG 7 2HH2 ARG 7 12.848 3.948 -18.027 77 H GLY 8 H GLY 8 5.769 -2.516 -16.334 78 HA2 GLY 8 2HA GLY 8 5.460 -4.607 -17.830 79 HA3 GLY 8 3HA GLY 8 6.560 -5.329 -16.665 80 H ILE 9 H ILE 9 5.274 -3.608 -14.526 81 HA ILE 9 HA ILE 9 2.701 -5.007 -14.294 82 HB ILE 9 HB ILE 9 4.305 -6.297 -12.990 83 HG12 ILE 9 2HG1 ILE 9 3.176 -6.157 -10.783 84 HG13 ILE 9 3HG1 ILE 9 2.440 -4.637 -11.279 85 HG21 ILE 9 1HG2 ILE 9 4.769 -3.908 -11.238 86 HG22 ILE 9 2HG2 ILE 9 5.671 -5.421 -11.309 87 HG23 ILE 9 3HG2 ILE 9 5.804 -4.252 -12.623 88 HD11 ILE 9 3HD1 ILE 9 0.849 -5.665 -12.450 89 HD12 ILE 9 1HD1 ILE 9 1.979 -6.825 -13.149 90 HD13 ILE 9 2HD1 ILE 9 1.313 -7.102 -11.539 91 H TYR 10 H TYR 10 1.087 -3.703 -13.731 92 HA TYR 10 HA TYR 10 1.599 -0.938 -13.159 93 HB2 TYR 10 2HB TYR 10 -0.986 -2.505 -13.252 94 HB3 TYR 10 3HB TYR 10 -0.881 -0.756 -13.081 95 HD1 TYR 10 HD1 TYR 10 -0.361 -3.589 -15.369 96 HD2 TYR 10 HD2 TYR 10 -0.364 0.646 -14.965 97 HE1 TYR 10 HE1 TYR 10 -0.312 -3.361 -17.818 98 HE2 TYR 10 HE2 TYR 10 -0.316 0.886 -17.412 99 HH TYR 10 HH TYR 10 0.348 -0.410 -19.375 100 H ARG 11 H ARG 11 2.237 -0.329 -11.200 101 HA ARG 11 HA ARG 11 0.608 -0.962 -8.904 102 HB2 ARG 11 2HB ARG 11 3.407 -2.004 -9.208 103 HB3 ARG 11 3HB ARG 11 2.771 -1.617 -7.615 104 HG2 ARG 11 2HG ARG 11 0.773 -3.134 -8.410 105 HG3 ARG 11 3HG ARG 11 2.006 -3.790 -9.490 106 HD2 ARG 11 2HD ARG 11 3.239 -4.666 -7.773 107 HD3 ARG 11 3HD ARG 11 2.690 -3.454 -6.617 108 HE ARG 11 HE ARG 11 1.474 -5.991 -7.169 109 HH11 ARG 11 1HH1 ARG 11 0.904 -2.748 -6.040 110 HH12 ARG 11 2HH1 ARG 11 -0.497 -3.176 -5.116 111 HH21 ARG 11 1HH2 ARG 11 -0.369 -6.568 -5.956 112 HH22 ARG 11 2HH2 ARG 11 -1.220 -5.350 -5.068 113 H ARG 12 H ARG 12 1.846 0.038 -6.861 114 HA ARG 12 HA ARG 12 3.085 2.576 -7.665 115 HB2 ARG 12 2HB ARG 12 0.638 2.893 -7.241 116 HB3 ARG 12 3HB ARG 12 0.902 2.352 -5.589 117 HG2 ARG 12 2HG ARG 12 0.941 4.636 -5.352 118 HG3 ARG 12 3HG ARG 12 2.658 4.265 -5.522 119 HD2 ARG 12 2HD ARG 12 2.134 6.159 -6.904 120 HD3 ARG 12 3HD ARG 12 2.478 4.776 -7.941 121 HE ARG 12 HE ARG 12 -0.297 4.956 -7.442 122 HH11 ARG 12 1HH1 ARG 12 2.260 6.489 -9.239 123 HH12 ARG 12 2HH1 ARG 12 1.212 7.063 -10.493 124 HH21 ARG 12 1HH2 ARG 12 -1.688 5.706 -9.087 125 HH22 ARG 12 2HH2 ARG 12 -1.034 6.618 -10.405 126 H ARG 13 H ARG 13 4.886 2.987 -6.568 127 HA ARG 13 HA ARG 13 5.657 1.272 -4.380 128 HB2 ARG 13 2HB ARG 13 7.816 2.269 -4.562 129 HB3 ARG 13 3HB ARG 13 7.222 2.029 -6.199 130 HG2 ARG 13 2HG ARG 13 6.630 4.374 -6.358 131 HG3 ARG 13 3HG ARG 13 7.142 4.633 -4.689 132 HD2 ARG 13 2HD ARG 13 9.404 3.637 -5.541 133 HD3 ARG 13 3HD ARG 13 8.789 4.109 -7.125 134 HE ARG 13 HE ARG 13 9.237 6.281 -6.592 135 HH11 ARG 13 1HH1 ARG 13 9.086 4.421 -3.654 136 HH12 ARG 13 2HH1 ARG 13 9.594 5.733 -2.643 137 HH21 ARG 13 1HH2 ARG 13 9.906 8.017 -5.272 138 HH22 ARG 13 2HH2 ARG 13 10.059 7.778 -3.564 Start of MODEL 4 1 H1 LYS 1 H LYS 1 0.134 0.107 -0.098 2 HA LYS 1 HA LYS 1 1.016 0.875 -2.795 3 HB2 LYS 1 2HB LYS 1 2.679 2.402 -1.795 4 HB3 LYS 1 3HB LYS 1 1.026 2.903 -1.462 5 HG2 LYS 1 2HG LYS 1 1.157 2.159 0.783 6 HG3 LYS 1 3HG LYS 1 2.680 1.317 0.484 7 HD2 LYS 1 2HD LYS 1 3.794 3.449 0.087 8 HD3 LYS 1 3HD LYS 1 2.271 4.305 0.338 9 HE2 LYS 1 2HE LYS 1 3.246 2.476 2.475 10 HE3 LYS 1 3HE LYS 1 4.043 4.036 2.277 11 HZ1 LYS 1 3HZ LYS 1 1.551 3.457 3.480 12 HZ2 LYS 1 1HZ LYS 1 1.322 4.530 2.193 13 HZ3 LYS 1 2HZ LYS 1 2.396 4.922 3.438 14 H TRP 2 H TRP 2 2.835 -0.116 -3.515 15 HA TRP 2 HA TRP 2 4.142 -1.988 -1.653 16 HB2 TRP 2 2HB TRP 2 4.047 -3.625 -3.205 17 HB3 TRP 2 3HB TRP 2 2.792 -2.632 -3.941 18 HD1 TRP 2 HD1 TRP 2 3.792 -0.828 -5.885 19 HE1 TRP 2 HE1 TRP 2 5.567 -1.300 -7.688 20 HE3 TRP 2 HE3 TRP 2 6.010 -4.927 -3.786 21 HZ2 TRP 2 HZ2 TRP 2 7.634 -3.164 -8.158 22 HZ3 TRP 2 HZ3 TRP 2 7.879 -5.996 -4.977 23 HH2 TRP 2 HH2 TRP 2 8.673 -5.132 -7.118 24 H PHE 3 H PHE 3 6.382 -2.683 -2.768 25 HA PHE 3 HA PHE 3 8.135 -0.568 -2.411 26 HB2 PHE 3 2HB PHE 3 8.308 -3.331 -3.260 27 HB3 PHE 3 3HB PHE 3 9.448 -2.327 -4.150 28 HD1 PHE 3 HD1 PHE 3 10.543 -0.459 -2.420 29 HD2 PHE 3 HD2 PHE 3 9.249 -4.403 -1.478 30 HE1 PHE 3 HE1 PHE 3 12.079 -0.500 -0.498 31 HE2 PHE 3 HE2 PHE 3 10.782 -4.450 0.445 32 HZ PHE 3 HZ PHE 3 12.200 -2.498 0.937 33 H ARG 4 H ARG 4 9.865 -0.125 -4.294 34 HA ARG 4 HA ARG 4 8.686 1.680 -6.041 35 HB2 ARG 4 2HB ARG 4 10.885 1.536 -7.298 36 HB3 ARG 4 3HB ARG 4 10.996 1.927 -5.587 37 HG2 ARG 4 2HG ARG 4 11.974 -0.062 -5.051 38 HG3 ARG 4 3HG ARG 4 11.207 -0.924 -6.386 39 HD2 ARG 4 2HD ARG 4 12.743 -0.101 -7.949 40 HD3 ARG 4 3HD ARG 4 13.280 1.188 -6.873 41 HE ARG 4 HE ARG 4 14.751 -0.277 -5.906 42 HH11 ARG 4 1HH1 ARG 4 12.429 -2.059 -7.790 43 HH12 ARG 4 2HH1 ARG 4 13.261 -3.570 -7.627 44 HH21 ARG 4 1HH2 ARG 4 15.856 -2.260 -5.685 45 HH22 ARG 4 2HH2 ARG 4 15.210 -3.683 -6.429 46 H VAL 5 H VAL 5 7.656 1.505 -7.924 47 HA VAL 5 HA VAL 5 7.017 -1.037 -9.016 48 HB VAL 5 HB VAL 5 5.813 0.162 -10.736 49 HG11 VAL 5 1HG1 VAL 5 5.595 1.307 -7.967 50 HG12 VAL 5 2HG1 VAL 5 4.464 1.730 -9.254 51 HG13 VAL 5 3HG1 VAL 5 4.607 0.055 -8.719 52 HG21 VAL 5 3HG2 VAL 5 5.909 2.640 -10.847 53 HG22 VAL 5 1HG2 VAL 5 7.261 2.602 -9.716 54 HG23 VAL 5 2HG2 VAL 5 7.422 1.860 -11.308 55 H TYR 6 H TYR 6 7.654 -1.999 -10.933 56 HA TYR 6 HA TYR 6 10.018 -0.829 -12.245 57 HB2 TYR 6 2HB TYR 6 10.279 -2.940 -10.674 58 HB3 TYR 6 3HB TYR 6 9.694 -3.795 -12.097 59 HD1 TYR 6 HD2 TYR 6 12.439 -1.785 -10.714 60 HD2 TYR 6 HD1 TYR 6 11.062 -4.007 -14.072 61 HE1 TYR 6 HE2 TYR 6 14.714 -1.770 -11.650 62 HE2 TYR 6 HE1 TYR 6 13.333 -3.999 -15.016 63 HH TYR 6 HH TYR 6 15.421 -3.283 -14.785 64 H ARG 7 H ARG 7 10.328 -1.420 -14.468 65 HA ARG 7 HA ARG 7 7.967 -1.316 -15.996 66 HB2 ARG 7 2HB ARG 7 10.835 -1.898 -16.713 67 HB3 ARG 7 3HB ARG 7 9.559 -1.865 -17.922 68 HG2 ARG 7 2HG ARG 7 10.491 0.263 -18.016 69 HG3 ARG 7 3HG ARG 7 9.036 0.477 -17.040 70 HD2 ARG 7 2HD ARG 7 10.257 0.640 -15.051 71 HD3 ARG 7 3HD ARG 7 11.700 -0.070 -15.775 72 HE ARG 7 HE ARG 7 12.290 2.002 -16.565 73 HH11 ARG 7 1HH1 ARG 7 8.984 2.073 -15.476 74 HH12 ARG 7 2HH1 ARG 7 8.841 3.794 -15.608 75 HH21 ARG 7 1HH2 ARG 7 12.114 4.269 -16.743 76 HH22 ARG 7 2HH2 ARG 7 10.621 5.042 -16.330 77 H GLY 8 H GLY 8 6.532 -2.916 -16.131 78 HA2 GLY 8 2HA GLY 8 6.455 -5.134 -17.456 79 HA3 GLY 8 3HA GLY 8 7.505 -5.692 -16.162 80 H ILE 9 H ILE 9 5.932 -3.854 -14.300 81 HA ILE 9 HA ILE 9 3.458 -5.426 -14.114 82 HB ILE 9 HB ILE 9 5.037 -6.451 -12.568 83 HG12 ILE 9 2HG1 ILE 9 3.265 -4.882 -10.750 84 HG13 ILE 9 3HG1 ILE 9 2.510 -5.851 -12.011 85 HG21 ILE 9 1HG2 ILE 9 5.184 -3.873 -11.043 86 HG22 ILE 9 2HG2 ILE 9 6.193 -5.310 -10.889 87 HG23 ILE 9 3HG2 ILE 9 6.352 -4.269 -12.304 88 HD11 ILE 9 3HD1 ILE 9 4.005 -6.700 -9.599 89 HD12 ILE 9 1HD1 ILE 9 2.538 -7.362 -10.318 90 HD13 ILE 9 2HD1 ILE 9 4.109 -7.710 -11.041 91 H TYR 10 H TYR 10 1.715 -4.204 -13.811 92 HA TYR 10 HA TYR 10 1.988 -1.364 -13.474 93 HB2 TYR 10 2HB TYR 10 -0.338 -3.223 -13.876 94 HB3 TYR 10 3HB TYR 10 -0.600 -1.535 -13.453 95 HD1 TYR 10 HD1 TYR 10 0.671 -3.824 -16.035 96 HD2 TYR 10 HD2 TYR 10 -0.197 0.222 -15.047 97 HE1 TYR 10 HE1 TYR 10 0.895 -3.204 -18.405 98 HE2 TYR 10 HE2 TYR 10 0.023 0.853 -17.414 99 HH TYR 10 HH TYR 10 0.200 -1.466 -19.927 100 H ARG 11 H ARG 11 2.389 -0.538 -11.532 101 HA ARG 11 HA ARG 11 0.586 -1.073 -9.347 102 HB2 ARG 11 2HB ARG 11 3.435 -1.998 -9.312 103 HB3 ARG 11 3HB ARG 11 2.675 -1.462 -7.819 104 HG2 ARG 11 2HG ARG 11 0.793 -3.137 -8.546 105 HG3 ARG 11 3HG ARG 11 2.101 -3.854 -9.490 106 HD2 ARG 11 2HD ARG 11 3.287 -4.477 -7.627 107 HD3 ARG 11 3HD ARG 11 2.596 -3.198 -6.629 108 HE ARG 11 HE ARG 11 1.621 -5.847 -6.903 109 HH11 ARG 11 1HH1 ARG 11 0.577 -2.548 -6.518 110 HH12 ARG 11 2HH1 ARG 11 -0.910 -2.973 -5.737 111 HH21 ARG 11 1HH2 ARG 11 -0.334 -6.419 -5.877 112 HH22 ARG 11 2HH2 ARG 11 -1.427 -5.175 -5.372 113 H ARG 12 H ARG 12 1.567 0.174 -7.298 114 HA ARG 12 HA ARG 12 2.689 2.724 -8.240 115 HB2 ARG 12 2HB ARG 12 0.228 2.913 -7.946 116 HB3 ARG 12 3HB ARG 12 0.421 2.449 -6.261 117 HG2 ARG 12 2HG ARG 12 2.072 4.489 -6.221 118 HG3 ARG 12 3HG ARG 12 1.127 4.995 -7.622 119 HD2 ARG 12 2HD ARG 12 -0.229 4.132 -5.097 120 HD3 ARG 12 3HD ARG 12 0.404 5.770 -5.259 121 HE ARG 12 HE ARG 12 -1.919 4.670 -6.552 122 HH11 ARG 12 1HH1 ARG 12 0.540 7.131 -6.669 123 HH12 ARG 12 2HH1 ARG 12 -0.406 8.215 -7.634 124 HH21 ARG 12 1HH2 ARG 12 -3.175 6.088 -7.822 125 HH22 ARG 12 2HH2 ARG 12 -2.520 7.621 -8.289 126 H ARG 13 H ARG 13 4.366 3.420 -7.080 127 HA ARG 13 HA ARG 13 5.151 1.930 -4.718 128 HB2 ARG 13 2HB ARG 13 7.277 2.961 -4.943 129 HB3 ARG 13 3HB ARG 13 6.744 2.578 -6.574 130 HG2 ARG 13 2HG ARG 13 6.085 4.887 -6.927 131 HG3 ARG 13 3HG ARG 13 6.550 5.285 -5.271 132 HD2 ARG 13 2HD ARG 13 8.849 4.236 -6.050 133 HD3 ARG 13 3HD ARG 13 8.248 4.701 -7.642 134 HE ARG 13 HE ARG 13 8.077 6.811 -5.708 135 HH11 ARG 13 1HH1 ARG 13 10.158 5.201 -7.987 136 HH12 ARG 13 2HH1 ARG 13 11.188 6.576 -8.217 137 HH21 ARG 13 1HH2 ARG 13 9.425 8.628 -6.002 138 HH22 ARG 13 2HH2 ARG 13 10.770 8.524 -7.086 Start of MODEL 5 1 H1 LYS 1 H LYS 1 0.969 0.012 0.273 2 HA LYS 1 HA LYS 1 1.531 0.463 -2.584 3 HB2 LYS 1 2HB LYS 1 2.973 1.713 -0.238 4 HB3 LYS 1 3HB LYS 1 3.337 1.977 -1.938 5 HG2 LYS 1 2HG LYS 1 1.292 3.132 -2.285 6 HG3 LYS 1 3HG LYS 1 0.686 2.659 -0.696 7 HD2 LYS 1 2HD LYS 1 2.373 4.015 0.389 8 HD3 LYS 1 3HD LYS 1 3.093 4.416 -1.172 9 HE2 LYS 1 2HE LYS 1 1.336 5.801 -1.770 10 HE3 LYS 1 3HE LYS 1 0.214 5.028 -0.652 11 HZ1 LYS 1 3HZ LYS 1 0.644 6.930 0.483 12 HZ2 LYS 1 1HZ LYS 1 2.203 7.109 -0.148 13 HZ3 LYS 1 2HZ LYS 1 1.915 5.992 1.089 14 H TRP 2 H TRP 2 3.343 -0.513 -3.447 15 HA TRP 2 HA TRP 2 4.666 -2.483 -1.700 16 HB2 TRP 2 2HB TRP 2 4.421 -4.074 -3.283 17 HB3 TRP 2 3HB TRP 2 3.172 -3.012 -3.928 18 HD1 TRP 2 HD1 TRP 2 4.145 -1.201 -5.879 19 HE1 TRP 2 HE1 TRP 2 5.802 -1.699 -7.785 20 HE3 TRP 2 HE3 TRP 2 6.294 -5.441 -3.998 21 HZ2 TRP 2 HZ2 TRP 2 7.760 -3.635 -8.408 22 HZ3 TRP 2 HZ3 TRP 2 8.051 -6.556 -5.311 23 HH2 TRP 2 HH2 TRP 2 8.767 -5.670 -7.471 24 H PHE 3 H PHE 3 6.813 -3.242 -2.949 25 HA PHE 3 HA PHE 3 8.671 -1.211 -2.636 26 HB2 PHE 3 2HB PHE 3 8.681 -3.955 -3.559 27 HB3 PHE 3 3HB PHE 3 9.816 -2.977 -4.484 28 HD1 PHE 3 HD1 PHE 3 11.075 -1.199 -2.768 29 HD2 PHE 3 HD2 PHE 3 9.670 -5.112 -1.857 30 HE1 PHE 3 HE1 PHE 3 12.707 -1.354 -0.933 31 HE2 PHE 3 HE2 PHE 3 11.298 -5.273 -0.020 32 HZ PHE 3 HZ PHE 3 12.819 -3.393 0.445 33 H ARG 4 H ARG 4 10.318 -0.791 -4.598 34 HA ARG 4 HA ARG 4 9.127 1.105 -6.236 35 HB2 ARG 4 2HB ARG 4 11.690 -0.424 -6.724 36 HB3 ARG 4 3HB ARG 4 11.227 1.069 -7.529 37 HG2 ARG 4 2HG ARG 4 11.109 2.077 -5.179 38 HG3 ARG 4 3HG ARG 4 12.006 0.645 -4.669 39 HD2 ARG 4 2HD ARG 4 12.973 2.271 -6.984 40 HD3 ARG 4 3HD ARG 4 13.284 2.816 -5.336 41 HE ARG 4 HE ARG 4 14.533 0.619 -6.698 42 HH11 ARG 4 1HH1 ARG 4 13.677 1.937 -3.591 43 HH12 ARG 4 2HH1 ARG 4 14.920 1.081 -2.740 44 HH21 ARG 4 1HH2 ARG 4 16.173 -0.513 -5.589 45 HH22 ARG 4 2HH2 ARG 4 16.340 -0.311 -3.878 46 H VAL 5 H VAL 5 7.983 1.016 -8.058 47 HA VAL 5 HA VAL 5 7.184 -1.466 -9.176 48 HB VAL 5 HB VAL 5 5.946 -0.174 -10.804 49 HG11 VAL 5 1HG1 VAL 5 5.920 0.900 -7.998 50 HG12 VAL 5 2HG1 VAL 5 4.749 1.415 -9.213 51 HG13 VAL 5 3HG1 VAL 5 4.837 -0.281 -8.734 52 HG21 VAL 5 3HG2 VAL 5 6.318 2.481 -10.268 53 HG22 VAL 5 1HG2 VAL 5 7.962 1.848 -10.174 54 HG23 VAL 5 2HG2 VAL 5 7.009 1.614 -11.640 55 H TYR 6 H TYR 6 7.244 -1.705 -11.676 56 HA TYR 6 HA TYR 6 9.734 -0.839 -12.884 57 HB2 TYR 6 2HB TYR 6 9.237 -3.632 -11.968 58 HB3 TYR 6 3HB TYR 6 10.068 -3.404 -13.503 59 HD1 TYR 6 HD2 TYR 6 12.253 -2.245 -13.566 60 HD2 TYR 6 HD1 TYR 6 10.322 -3.163 -9.888 61 HE1 TYR 6 HE2 TYR 6 14.372 -1.887 -12.371 62 HE2 TYR 6 HE1 TYR 6 12.436 -2.807 -8.682 63 HH TYR 6 HH TYR 6 14.539 -2.032 -8.844 64 H ARG 7 H ARG 7 9.875 -1.432 -15.169 65 HA ARG 7 HA ARG 7 7.411 -1.041 -16.501 66 HB2 ARG 7 2HB ARG 7 10.172 -1.762 -17.471 67 HB3 ARG 7 3HB ARG 7 8.815 -1.567 -18.571 68 HG2 ARG 7 2HG ARG 7 9.891 0.495 -18.611 69 HG3 ARG 7 3HG ARG 7 8.527 0.744 -17.519 70 HD2 ARG 7 2HD ARG 7 9.881 0.750 -15.630 71 HD3 ARG 7 3HD ARG 7 11.197 -0.086 -16.453 72 HE ARG 7 HE ARG 7 10.771 2.416 -17.668 73 HH11 ARG 7 1HH1 ARG 7 11.998 1.019 -14.724 74 HH12 ARG 7 2HH1 ARG 7 13.090 2.326 -14.406 75 HH21 ARG 7 1HH2 ARG 7 12.205 4.142 -17.259 76 HH22 ARG 7 2HH2 ARG 7 13.206 4.102 -15.847 77 H GLY 8 H GLY 8 5.868 -2.540 -16.601 78 HA2 GLY 8 2HA GLY 8 5.536 -4.662 -18.037 79 HA3 GLY 8 3HA GLY 8 6.652 -5.363 -16.874 80 H ILE 9 H ILE 9 5.390 -3.591 -14.756 81 HA ILE 9 HA ILE 9 2.826 -4.995 -14.458 82 HB ILE 9 HB ILE 9 4.454 -6.242 -13.140 83 HG12 ILE 9 2HG1 ILE 9 3.351 -6.039 -10.918 84 HG13 ILE 9 3HG1 ILE 9 2.587 -4.551 -11.463 85 HG21 ILE 9 1HG2 ILE 9 4.921 -3.808 -11.452 86 HG22 ILE 9 2HG2 ILE 9 5.834 -5.315 -11.500 87 HG23 ILE 9 3HG2 ILE 9 5.942 -4.176 -12.842 88 HD11 ILE 9 3HD1 ILE 9 0.974 -5.661 -12.501 89 HD12 ILE 9 1HD1 ILE 9 2.119 -6.744 -13.291 90 HD13 ILE 9 2HD1 ILE 9 1.554 -7.096 -11.658 91 H TYR 10 H TYR 10 1.212 -3.686 -13.907 92 HA TYR 10 HA TYR 10 1.727 -0.905 -13.396 93 HB2 TYR 10 2HB TYR 10 -0.898 -2.409 -13.383 94 HB3 TYR 10 3HB TYR 10 -0.706 -0.660 -13.425 95 HD1 TYR 10 HD1 TYR 10 -0.328 -3.772 -15.354 96 HD2 TYR 10 HD2 TYR 10 -0.153 0.478 -15.466 97 HE1 TYR 10 HE1 TYR 10 -0.287 -3.844 -17.812 98 HE2 TYR 10 HE2 TYR 10 -0.113 0.417 -17.924 99 HH TYR 10 HH TYR 10 -1.056 -1.944 -19.722 100 H ARG 11 H ARG 11 2.355 -0.263 -11.444 101 HA ARG 11 HA ARG 11 0.714 -0.865 -9.145 102 HB2 ARG 11 2HB ARG 11 3.531 -1.876 -9.407 103 HB3 ARG 11 3HB ARG 11 2.858 -1.493 -7.828 104 HG2 ARG 11 2HG ARG 11 0.898 -3.044 -8.685 105 HG3 ARG 11 3HG ARG 11 2.189 -3.696 -9.696 106 HD2 ARG 11 2HD ARG 11 3.351 -4.531 -7.914 107 HD3 ARG 11 3HD ARG 11 2.746 -3.301 -6.805 108 HE ARG 11 HE ARG 11 1.561 -5.856 -7.375 109 HH11 ARG 11 1HH1 ARG 11 0.973 -2.613 -6.255 110 HH12 ARG 11 2HH1 ARG 11 -0.448 -3.040 -5.359 111 HH21 ARG 11 1HH2 ARG 11 -0.307 -6.431 -6.199 112 HH22 ARG 11 2HH2 ARG 11 -1.174 -5.213 -5.327 113 H ARG 12 H ARG 12 1.939 0.177 -7.114 114 HA ARG 12 HA ARG 12 3.137 2.722 -7.963 115 HB2 ARG 12 2HB ARG 12 0.833 3.249 -7.559 116 HB3 ARG 12 3HB ARG 12 0.835 2.350 -6.047 117 HG2 ARG 12 2HG ARG 12 2.278 3.972 -5.020 118 HG3 ARG 12 3HG ARG 12 2.468 4.827 -6.552 119 HD2 ARG 12 2HD ARG 12 0.879 6.063 -5.329 120 HD3 ARG 12 3HD ARG 12 -0.045 5.150 -6.522 121 HE ARG 12 HE ARG 12 0.105 3.678 -4.129 122 HH11 ARG 12 1HH1 ARG 12 -1.385 6.534 -5.450 123 HH12 ARG 12 2HH1 ARG 12 -2.759 6.462 -4.397 124 HH21 ARG 12 1HH2 ARG 12 -1.700 3.572 -2.738 125 HH22 ARG 12 2HH2 ARG 12 -2.937 4.778 -2.855 126 H ARG 13 H ARG 13 4.929 3.220 -6.879 127 HA ARG 13 HA ARG 13 5.720 1.551 -4.636 128 HB2 ARG 13 2HB ARG 13 7.916 2.430 -4.942 129 HB3 ARG 13 3HB ARG 13 7.267 2.099 -6.542 130 HG2 ARG 13 2HG ARG 13 6.801 4.438 -6.887 131 HG3 ARG 13 3HG ARG 13 7.310 4.812 -5.239 132 HD2 ARG 13 2HD ARG 13 9.556 4.361 -5.707 133 HD3 ARG 13 3HD ARG 13 9.163 3.463 -7.172 134 HE ARG 13 HE ARG 13 9.543 6.288 -6.934 135 HH11 ARG 13 1HH1 ARG 13 7.890 3.800 -8.722 136 HH12 ARG 13 2HH1 ARG 13 7.728 4.757 -10.157 137 HH21 ARG 13 1HH2 ARG 13 9.336 7.558 -8.817 138 HH22 ARG 13 2HH2 ARG 13 8.552 6.894 -10.211 Start of MODEL 6 1 H1 LYS 1 H LYS 1 0.265 -0.078 -0.203 2 HA LYS 1 HA LYS 1 1.369 1.137 -2.645 3 HB2 LYS 1 2HB LYS 1 2.942 2.405 -1.125 4 HB3 LYS 1 3HB LYS 1 1.267 2.940 -1.102 5 HG2 LYS 1 2HG LYS 1 0.913 1.645 0.965 6 HG3 LYS 1 3HG LYS 1 2.623 1.206 0.953 7 HD2 LYS 1 2HD LYS 1 3.241 3.557 1.123 8 HD3 LYS 1 3HD LYS 1 1.538 4.021 1.080 9 HE2 LYS 1 2HE LYS 1 1.121 3.004 3.184 10 HE3 LYS 1 3HE LYS 1 2.688 2.196 3.180 11 HZ1 LYS 1 3HZ LYS 1 2.077 5.040 3.655 12 HZ2 LYS 1 1HZ LYS 1 3.613 4.576 3.119 13 HZ3 LYS 1 2HZ LYS 1 3.014 3.982 4.585 14 H TRP 2 H TRP 2 2.992 0.012 -3.484 15 HA TRP 2 HA TRP 2 4.433 -1.872 -1.734 16 HB2 TRP 2 2HB TRP 2 4.254 -3.491 -3.297 17 HB3 TRP 2 3HB TRP 2 2.944 -2.504 -3.938 18 HD1 TRP 2 HD1 TRP 2 3.798 -0.665 -5.920 19 HE1 TRP 2 HE1 TRP 2 5.458 -1.095 -7.839 20 HE3 TRP 2 HE3 TRP 2 6.189 -4.765 -4.020 21 HZ2 TRP 2 HZ2 TRP 2 7.509 -2.931 -8.465 22 HZ3 TRP 2 HZ3 TRP 2 7.988 -5.799 -5.343 23 HH2 TRP 2 HH2 TRP 2 8.633 -4.900 -7.519 24 H PHE 3 H PHE 3 6.602 -2.529 -3.000 25 HA PHE 3 HA PHE 3 8.353 -0.399 -2.730 26 HB2 PHE 3 2HB PHE 3 8.499 -3.149 -3.624 27 HB3 PHE 3 3HB PHE 3 9.570 -2.123 -4.573 28 HD1 PHE 3 HD1 PHE 3 10.753 -0.262 -2.890 29 HD2 PHE 3 HD2 PHE 3 9.566 -4.234 -1.921 30 HE1 PHE 3 HE1 PHE 3 12.411 -0.311 -1.073 31 HE2 PHE 3 HE2 PHE 3 11.221 -4.288 -0.102 32 HZ PHE 3 HZ PHE 3 12.646 -2.325 0.325 33 H ARG 4 H ARG 4 9.953 0.085 -4.714 34 HA ARG 4 HA ARG 4 8.644 1.897 -6.359 35 HB2 ARG 4 2HB ARG 4 10.758 1.813 -7.748 36 HB3 ARG 4 3HB ARG 4 10.981 2.157 -6.038 37 HG2 ARG 4 2HG ARG 4 12.010 0.165 -5.625 38 HG3 ARG 4 3HG ARG 4 11.164 -0.668 -6.931 39 HD2 ARG 4 2HD ARG 4 12.522 0.658 -8.552 40 HD3 ARG 4 3HD ARG 4 13.442 1.288 -7.187 41 HE ARG 4 HE ARG 4 13.683 -1.304 -8.384 42 HH11 ARG 4 1HH1 ARG 4 14.099 0.519 -5.447 43 HH12 ARG 4 2HH1 ARG 4 15.297 -0.550 -4.799 44 HH21 ARG 4 1HH2 ARG 4 15.261 -2.720 -7.540 45 HH22 ARG 4 2HH2 ARG 4 15.958 -2.392 -5.990 46 H VAL 5 H VAL 5 7.483 1.722 -8.162 47 HA VAL 5 HA VAL 5 6.804 -0.808 -9.246 48 HB VAL 5 HB VAL 5 5.495 0.399 -10.882 49 HG11 VAL 5 1HG1 VAL 5 5.432 1.534 -8.099 50 HG12 VAL 5 2HG1 VAL 5 4.217 1.933 -9.315 51 HG13 VAL 5 3HG1 VAL 5 4.423 0.262 -8.787 52 HG21 VAL 5 3HG2 VAL 5 6.431 2.237 -11.751 53 HG22 VAL 5 1HG2 VAL 5 5.760 3.082 -10.356 54 HG23 VAL 5 2HG2 VAL 5 7.428 2.511 -10.323 55 H TYR 6 H TYR 6 7.494 -1.863 -11.038 56 HA TYR 6 HA TYR 6 9.724 -0.638 -12.527 57 HB2 TYR 6 2HB TYR 6 10.165 -2.691 -11.007 58 HB3 TYR 6 3HB TYR 6 9.342 -3.608 -12.263 59 HD1 TYR 6 HD1 TYR 6 12.250 -1.408 -11.604 60 HD2 TYR 6 HD2 TYR 6 10.459 -4.213 -14.255 61 HE1 TYR 6 HE1 TYR 6 14.352 -1.542 -12.872 62 HE2 TYR 6 HE2 TYR 6 12.557 -4.356 -15.530 63 HH TYR 6 HH TYR 6 15.238 -2.209 -14.903 64 H ARG 7 H ARG 7 9.951 -1.294 -14.766 65 HA ARG 7 HA ARG 7 7.497 -1.167 -16.174 66 HB2 ARG 7 2HB ARG 7 10.337 -1.676 -17.044 67 HB3 ARG 7 3HB ARG 7 8.999 -1.645 -18.185 68 HG2 ARG 7 2HG ARG 7 9.889 0.502 -18.284 69 HG3 ARG 7 3HG ARG 7 8.480 0.670 -17.235 70 HD2 ARG 7 2HD ARG 7 9.820 0.747 -15.289 71 HD3 ARG 7 3HD ARG 7 11.248 0.196 -16.164 72 HE ARG 7 HE ARG 7 10.313 2.638 -17.242 73 HH11 ARG 7 1HH1 ARG 7 11.973 1.321 -14.480 74 HH12 ARG 7 2HH1 ARG 7 12.851 2.778 -14.149 75 HH21 ARG 7 1HH2 ARG 7 11.463 4.562 -16.816 76 HH22 ARG 7 2HH2 ARG 7 12.559 4.621 -15.478 77 H GLY 8 H GLY 8 6.095 -2.800 -16.253 78 HA2 GLY 8 2HA GLY 8 6.008 -5.001 -17.612 79 HA3 GLY 8 3HA GLY 8 7.127 -5.551 -16.374 80 H ILE 9 H ILE 9 5.613 -3.789 -14.406 81 HA ILE 9 HA ILE 9 3.179 -5.413 -14.136 82 HB ILE 9 HB ILE 9 4.852 -6.424 -12.680 83 HG12 ILE 9 2HG1 ILE 9 3.113 -4.919 -10.773 84 HG13 ILE 9 3HG1 ILE 9 2.343 -5.914 -12.003 85 HG21 ILE 9 1HG2 ILE 9 5.005 -3.874 -11.111 86 HG22 ILE 9 2HG2 ILE 9 6.063 -5.282 -11.045 87 HG23 ILE 9 3HG2 ILE 9 6.118 -4.204 -12.439 88 HD11 ILE 9 3HD1 ILE 9 3.691 -6.685 -9.556 89 HD12 ILE 9 1HD1 ILE 9 2.549 -7.583 -10.556 90 HD13 ILE 9 2HD1 ILE 9 4.265 -7.579 -10.964 91 H TYR 10 H TYR 10 1.425 -4.237 -13.728 92 HA TYR 10 HA TYR 10 1.650 -1.395 -13.368 93 HB2 TYR 10 2HB TYR 10 -0.668 -3.295 -13.641 94 HB3 TYR 10 3HB TYR 10 -0.918 -1.600 -13.240 95 HD1 TYR 10 HD1 TYR 10 0.418 -3.895 -15.817 96 HD2 TYR 10 HD2 TYR 10 -0.791 0.081 -14.907 97 HE1 TYR 10 HE1 TYR 10 0.519 -3.324 -18.207 98 HE2 TYR 10 HE2 TYR 10 -0.695 0.663 -17.295 99 HH TYR 10 HH TYR 10 -0.055 -0.018 -19.331 100 H ARG 11 H ARG 11 2.113 -0.569 -11.441 101 HA ARG 11 HA ARG 11 0.448 -1.199 -9.170 102 HB2 ARG 11 2HB ARG 11 3.332 -1.998 -9.302 103 HB3 ARG 11 3HB ARG 11 2.640 -1.498 -7.764 104 HG2 ARG 11 2HG ARG 11 0.792 -3.247 -8.368 105 HG3 ARG 11 3HG ARG 11 2.051 -3.902 -9.417 106 HD2 ARG 11 2HD ARG 11 3.401 -4.493 -7.657 107 HD3 ARG 11 3HD ARG 11 2.735 -3.255 -6.593 108 HE ARG 11 HE ARG 11 1.849 -5.940 -6.836 109 HH11 ARG 11 1HH1 ARG 11 0.715 -2.691 -6.306 110 HH12 ARG 11 2HH1 ARG 11 -0.687 -3.186 -5.417 111 HH21 ARG 11 1HH2 ARG 11 0.006 -6.604 -5.667 112 HH22 ARG 11 2HH2 ARG 11 -1.089 -5.411 -5.053 113 H ARG 12 H ARG 12 1.463 0.080 -7.165 114 HA ARG 12 HA ARG 12 2.532 2.647 -8.094 115 HB2 ARG 12 2HB ARG 12 0.034 2.778 -7.933 116 HB3 ARG 12 3HB ARG 12 0.176 2.423 -6.217 117 HG2 ARG 12 2HG ARG 12 -0.081 4.770 -6.449 118 HG3 ARG 12 3HG ARG 12 1.596 4.465 -5.993 119 HD2 ARG 12 2HD ARG 12 1.418 6.154 -7.764 120 HD3 ARG 12 3HD ARG 12 2.296 4.723 -8.302 121 HE ARG 12 HE ARG 12 -0.430 4.468 -8.965 122 HH11 ARG 12 1HH1 ARG 12 2.420 6.253 -9.864 123 HH12 ARG 12 2HH1 ARG 12 1.914 6.489 -11.504 124 HH21 ARG 12 1HH2 ARG 12 -1.108 4.772 -11.122 125 HH22 ARG 12 2HH2 ARG 12 -0.093 5.647 -12.218 126 H ARG 13 H ARG 13 3.910 3.638 -6.692 127 HA ARG 13 HA ARG 13 5.227 2.151 -4.753 128 HB2 ARG 13 2HB ARG 13 5.141 5.031 -5.492 129 HB3 ARG 13 3HB ARG 13 5.854 4.618 -3.938 130 HG2 ARG 13 2HG ARG 13 7.170 2.862 -5.406 131 HG3 ARG 13 3HG ARG 13 6.805 4.023 -6.684 132 HD2 ARG 13 2HD ARG 13 8.947 4.558 -5.732 133 HD3 ARG 13 3HD ARG 13 7.790 5.809 -5.277 134 HE ARG 13 HE ARG 13 7.897 3.836 -3.268 135 HH11 ARG 13 1HH1 ARG 13 9.784 6.430 -4.622 136 HH12 ARG 13 2HH1 ARG 13 10.631 6.758 -3.146 137 HH21 ARG 13 1HH2 ARG 13 9.005 4.259 -1.319 138 HH22 ARG 13 2HH2 ARG 13 10.188 5.522 -1.269 Start of MODEL 7 1 H1 LYS 1 H LYS 1 0.332 -0.108 -0.068 2 HA LYS 1 HA LYS 1 1.447 0.767 -2.653 3 HB2 LYS 1 2HB LYS 1 3.202 1.928 -1.300 4 HB3 LYS 1 3HB LYS 1 1.584 2.585 -1.094 5 HG2 LYS 1 2HG LYS 1 1.345 1.533 1.031 6 HG3 LYS 1 3HG LYS 1 2.837 0.618 0.805 7 HD2 LYS 1 2HD LYS 1 4.116 2.704 0.811 8 HD3 LYS 1 3HD LYS 1 2.624 3.621 1.029 9 HE2 LYS 1 2HE LYS 1 2.257 2.311 3.144 10 HE3 LYS 1 3HE LYS 1 3.886 1.668 2.944 11 HZ1 LYS 1 3HZ LYS 1 4.378 3.447 4.221 12 HZ2 LYS 1 1HZ LYS 1 3.027 4.338 3.728 13 HZ3 LYS 1 2HZ LYS 1 4.392 4.250 2.733 14 H TRP 2 H TRP 2 3.078 -0.382 -3.496 15 HA TRP 2 HA TRP 2 4.264 -2.497 -1.820 16 HB2 TRP 2 2HB TRP 2 3.959 -4.014 -3.464 17 HB3 TRP 2 3HB TRP 2 2.771 -2.869 -4.079 18 HD1 TRP 2 HD1 TRP 2 3.852 -1.036 -5.953 19 HE1 TRP 2 HE1 TRP 2 5.503 -1.545 -7.860 20 HE3 TRP 2 HE3 TRP 2 5.771 -5.444 -4.212 21 HZ2 TRP 2 HZ2 TRP 2 7.372 -3.549 -8.538 22 HZ3 TRP 2 HZ3 TRP 2 7.486 -6.593 -5.551 23 HH2 TRP 2 HH2 TRP 2 8.268 -5.664 -7.669 24 H PHE 3 H PHE 3 6.385 -3.312 -3.077 25 HA PHE 3 HA PHE 3 8.336 -1.387 -2.671 26 HB2 PHE 3 2HB PHE 3 8.223 -4.093 -3.696 27 HB3 PHE 3 3HB PHE 3 9.414 -3.138 -4.574 28 HD1 PHE 3 HD1 PHE 3 10.739 -1.488 -2.781 29 HD2 PHE 3 HD2 PHE 3 9.136 -5.359 -2.030 30 HE1 PHE 3 HE1 PHE 3 12.341 -1.790 -0.938 31 HE2 PHE 3 HE2 PHE 3 10.735 -5.667 -0.186 32 HZ PHE 3 HZ PHE 3 12.340 -3.881 0.363 33 H ARG 4 H ARG 4 10.022 -0.976 -4.601 34 HA ARG 4 HA ARG 4 8.943 1.035 -6.178 35 HB2 ARG 4 2HB ARG 4 11.492 -0.510 -6.217 36 HB3 ARG 4 3HB ARG 4 11.107 0.481 -7.617 37 HG2 ARG 4 2HG ARG 4 10.791 2.406 -6.022 38 HG3 ARG 4 3HG ARG 4 11.488 1.371 -4.774 39 HD2 ARG 4 2HD ARG 4 13.550 1.205 -5.955 40 HD3 ARG 4 3HD ARG 4 12.860 1.970 -7.386 41 HE ARG 4 HE ARG 4 12.628 3.759 -5.258 42 HH11 ARG 4 1HH1 ARG 4 15.116 2.244 -7.163 43 HH12 ARG 4 2HH1 ARG 4 16.237 3.552 -6.978 44 HH21 ARG 4 1HH2 ARG 4 14.094 5.488 -5.007 45 HH22 ARG 4 2HH2 ARG 4 15.655 5.396 -5.750 46 H VAL 5 H VAL 5 7.788 1.058 -7.991 47 HA VAL 5 HA VAL 5 6.892 -1.336 -9.215 48 HB VAL 5 HB VAL 5 5.738 0.078 -10.809 49 HG11 VAL 5 1HG1 VAL 5 5.712 1.001 -7.952 50 HG12 VAL 5 2HG1 VAL 5 4.595 1.651 -9.153 51 HG13 VAL 5 3HG1 VAL 5 4.581 -0.072 -8.775 52 HG21 VAL 5 3HG2 VAL 5 7.302 1.712 -11.425 53 HG22 VAL 5 1HG2 VAL 5 6.052 2.604 -10.558 54 HG23 VAL 5 2HG2 VAL 5 7.572 2.211 -9.755 55 H TYR 6 H TYR 6 7.424 -2.289 -11.142 56 HA TYR 6 HA TYR 6 9.823 -1.241 -12.497 57 HB2 TYR 6 2HB TYR 6 9.116 -3.995 -11.606 58 HB3 TYR 6 3HB TYR 6 10.009 -3.827 -13.113 59 HD1 TYR 6 HD1 TYR 6 12.265 -2.805 -13.107 60 HD2 TYR 6 HD2 TYR 6 10.163 -3.603 -9.494 61 HE1 TYR 6 HE1 TYR 6 14.364 -2.583 -11.844 62 HE2 TYR 6 HE2 TYR 6 12.256 -3.381 -8.221 63 HH TYR 6 HH TYR 6 14.800 -1.915 -9.104 64 H ARG 7 H ARG 7 10.018 -1.798 -14.775 65 HA ARG 7 HA ARG 7 7.599 -1.315 -16.185 66 HB2 ARG 7 2HB ARG 7 10.202 -2.267 -17.379 67 HB3 ARG 7 3HB ARG 7 8.931 -1.344 -18.169 68 HG2 ARG 7 2HG ARG 7 10.699 -0.359 -15.940 69 HG3 ARG 7 3HG ARG 7 10.851 0.053 -17.649 70 HD2 ARG 7 2HD ARG 7 8.370 0.819 -17.389 71 HD3 ARG 7 3HD ARG 7 8.769 0.879 -15.673 72 HE ARG 7 HE ARG 7 9.635 2.698 -17.713 73 HH11 ARG 7 1HH1 ARG 7 10.406 1.325 -14.609 74 HH12 ARG 7 2HH1 ARG 7 11.389 2.664 -14.115 75 HH21 ARG 7 1HH2 ARG 7 10.927 4.467 -17.075 76 HH22 ARG 7 2HH2 ARG 7 11.684 4.451 -15.518 77 H GLY 8 H GLY 8 6.062 -2.808 -16.405 78 HA2 GLY 8 2HA GLY 8 5.818 -4.887 -17.935 79 HA3 GLY 8 3HA GLY 8 6.851 -5.623 -16.718 80 H ILE 9 H ILE 9 5.438 -3.865 -14.664 81 HA ILE 9 HA ILE 9 2.863 -5.274 -14.564 82 HB ILE 9 HB ILE 9 4.393 -6.555 -13.166 83 HG12 ILE 9 2HG1 ILE 9 3.131 -6.440 -11.046 84 HG13 ILE 9 3HG1 ILE 9 2.454 -4.893 -11.541 85 HG21 ILE 9 1HG2 ILE 9 4.752 -4.161 -11.398 86 HG22 ILE 9 2HG2 ILE 9 5.661 -5.671 -11.417 87 HG23 ILE 9 3HG2 ILE 9 5.864 -4.503 -12.723 88 HD11 ILE 9 3HD1 ILE 9 0.807 -5.936 -12.574 89 HD12 ILE 9 1HD1 ILE 9 1.962 -6.789 -13.598 90 HD13 ILE 9 2HD1 ILE 9 1.471 -7.484 -12.053 91 H TYR 10 H TYR 10 1.218 -3.972 -14.088 92 HA TYR 10 HA TYR 10 1.683 -1.200 -13.530 93 HB2 TYR 10 2HB TYR 10 -0.816 -2.860 -13.830 94 HB3 TYR 10 3HB TYR 10 -0.869 -1.150 -13.417 95 HD1 TYR 10 HD2 TYR 10 -0.194 0.546 -15.047 96 HD2 TYR 10 HD1 TYR 10 -0.214 -3.589 -16.052 97 HE1 TYR 10 HE2 TYR 10 -0.063 1.131 -17.433 98 HE2 TYR 10 HE1 TYR 10 -0.082 -3.015 -18.440 99 HH TYR 10 HH TYR 10 -0.857 -0.315 -19.729 100 H ARG 11 H ARG 11 2.237 -0.540 -11.564 101 HA ARG 11 HA ARG 11 0.547 -1.178 -9.310 102 HB2 ARG 11 2HB ARG 11 3.390 -2.127 -9.501 103 HB3 ARG 11 3HB ARG 11 2.679 -1.744 -7.938 104 HG2 ARG 11 2HG ARG 11 0.781 -3.343 -8.703 105 HG3 ARG 11 3HG ARG 11 1.991 -3.933 -9.844 106 HD2 ARG 11 2HD ARG 11 3.311 -4.816 -8.200 107 HD3 ARG 11 3HD ARG 11 2.785 -3.639 -6.997 108 HE ARG 11 HE ARG 11 1.649 -6.206 -7.489 109 HH11 ARG 11 1HH1 ARG 11 0.896 -2.961 -6.478 110 HH12 ARG 11 2HH1 ARG 11 -0.490 -3.432 -5.550 111 HH21 ARG 11 1HH2 ARG 11 -0.172 -6.839 -6.271 112 HH22 ARG 11 2HH2 ARG 11 -1.096 -5.639 -5.432 113 H ARG 12 H ARG 12 1.611 -0.077 -7.254 114 HA ARG 12 HA ARG 12 2.869 2.455 -8.044 115 HB2 ARG 12 2HB ARG 12 0.324 2.621 -7.773 116 HB3 ARG 12 3HB ARG 12 0.608 2.365 -6.057 117 HG2 ARG 12 2HG ARG 12 0.587 4.635 -6.103 118 HG3 ARG 12 3HG ARG 12 2.304 4.358 -6.400 119 HD2 ARG 12 2HD ARG 12 2.137 4.890 -8.641 120 HD3 ARG 12 3HD ARG 12 0.414 4.523 -8.705 121 HE ARG 12 HE ARG 12 0.604 6.672 -7.027 122 HH11 ARG 12 1HH1 ARG 12 1.584 5.992 -10.297 123 HH12 ARG 12 2HH1 ARG 12 1.424 7.634 -10.825 124 HH21 ARG 12 1HH2 ARG 12 0.389 8.837 -7.710 125 HH22 ARG 12 2HH2 ARG 12 0.745 9.252 -9.352 126 H ARG 13 H ARG 13 4.364 3.223 -6.637 127 HA ARG 13 HA ARG 13 5.546 1.529 -4.774 128 HB2 ARG 13 2HB ARG 13 5.702 4.545 -4.929 129 HB3 ARG 13 3HB ARG 13 6.804 3.518 -4.022 130 HG2 ARG 13 2HG ARG 13 7.136 2.374 -6.369 131 HG3 ARG 13 3HG ARG 13 6.580 3.943 -6.953 132 HD2 ARG 13 2HD ARG 13 8.693 3.876 -4.860 133 HD3 ARG 13 3HD ARG 13 9.138 3.455 -6.513 134 HE ARG 13 HE ARG 13 7.705 5.827 -6.636 135 HH11 ARG 13 1HH1 ARG 13 10.688 4.672 -5.264 136 HH12 ARG 13 2HH1 ARG 13 11.485 6.207 -5.374 137 HH21 ARG 13 1HH2 ARG 13 8.742 7.853 -6.786 138 HH22 ARG 13 2HH2 ARG 13 10.376 8.016 -6.239 Start of MODEL 8 1 H1 LYS 1 H LYS 1 0.163 -0.144 0.072 2 HA LYS 1 HA LYS 1 0.679 0.410 -2.703 3 HB2 LYS 1 2HB LYS 1 2.424 2.083 -2.331 4 HB3 LYS 1 3HB LYS 1 0.865 2.666 -1.761 5 HG2 LYS 1 2HG LYS 1 1.592 1.881 0.546 6 HG3 LYS 1 3HG LYS 1 3.210 1.728 -0.142 7 HD2 LYS 1 2HD LYS 1 3.461 3.994 -0.403 8 HD3 LYS 1 3HD LYS 1 1.724 4.277 -0.551 9 HE2 LYS 1 2HE LYS 1 2.831 3.292 2.039 10 HE3 LYS 1 3HE LYS 1 3.022 4.992 1.613 11 HZ1 LYS 1 3HZ LYS 1 0.718 3.634 2.563 12 HZ2 LYS 1 1HZ LYS 1 0.390 4.386 1.084 13 HZ3 LYS 1 2HZ LYS 1 0.980 5.295 2.382 14 H TRP 2 H TRP 2 2.713 -0.386 -3.412 15 HA TRP 2 HA TRP 2 4.010 -2.181 -1.467 16 HB2 TRP 2 2HB TRP 2 3.975 -3.868 -2.967 17 HB3 TRP 2 3HB TRP 2 2.717 -2.923 -3.758 18 HD1 TRP 2 HD1 TRP 2 3.722 -1.163 -5.741 19 HE1 TRP 2 HE1 TRP 2 5.540 -1.660 -7.493 20 HE3 TRP 2 HE3 TRP 2 5.972 -5.152 -3.468 21 HZ2 TRP 2 HZ2 TRP 2 7.649 -3.500 -7.864 22 HZ3 TRP 2 HZ3 TRP 2 7.883 -6.224 -4.588 23 HH2 TRP 2 HH2 TRP 2 8.702 -5.413 -6.740 24 H PHE 3 H PHE 3 6.283 -2.870 -2.517 25 HA PHE 3 HA PHE 3 7.991 -0.712 -2.195 26 HB2 PHE 3 2HB PHE 3 8.230 -3.497 -2.951 27 HB3 PHE 3 3HB PHE 3 9.369 -2.502 -3.851 28 HD1 PHE 3 HD1 PHE 3 10.393 -0.557 -2.159 29 HD2 PHE 3 HD2 PHE 3 9.158 -4.495 -1.120 30 HE1 PHE 3 HE1 PHE 3 11.892 -0.509 -0.209 31 HE2 PHE 3 HE2 PHE 3 10.655 -4.453 0.832 32 HZ PHE 3 HZ PHE 3 12.024 -2.458 1.291 33 H ARG 4 H ARG 4 9.749 -0.298 -4.058 34 HA ARG 4 HA ARG 4 8.573 1.428 -5.885 35 HB2 ARG 4 2HB ARG 4 10.800 1.279 -7.096 36 HB3 ARG 4 3HB ARG 4 10.868 1.735 -5.399 37 HG2 ARG 4 2HG ARG 4 11.875 -0.209 -4.770 38 HG3 ARG 4 3HG ARG 4 11.145 -1.140 -6.080 39 HD2 ARG 4 2HD ARG 4 13.345 -1.023 -6.760 40 HD3 ARG 4 3HD ARG 4 12.636 0.353 -7.604 41 HE ARG 4 HE ARG 4 13.627 1.181 -5.099 42 HH11 ARG 4 1HH1 ARG 4 14.718 0.148 -8.240 43 HH12 ARG 4 2HH1 ARG 4 16.202 1.039 -8.161 44 HH21 ARG 4 1HH2 ARG 4 15.577 2.358 -4.984 45 HH22 ARG 4 2HH2 ARG 4 16.690 2.295 -6.308 46 H VAL 5 H VAL 5 7.583 1.174 -7.780 47 HA VAL 5 HA VAL 5 7.013 -1.414 -8.802 48 HB VAL 5 HB VAL 5 5.817 -0.293 -10.580 49 HG11 VAL 5 1HG1 VAL 5 5.525 0.924 -7.849 50 HG12 VAL 5 2HG1 VAL 5 4.413 1.294 -9.168 51 HG13 VAL 5 3HG1 VAL 5 4.573 -0.364 -8.587 52 HG21 VAL 5 3HG2 VAL 5 7.448 2.061 -9.724 53 HG22 VAL 5 1HG2 VAL 5 7.140 1.439 -11.346 54 HG23 VAL 5 2HG2 VAL 5 5.873 2.308 -10.479 55 H TYR 6 H TYR 6 7.214 -1.621 -11.361 56 HA TYR 6 HA TYR 6 9.755 -0.718 -12.396 57 HB2 TYR 6 2HB TYR 6 10.035 -2.889 -10.914 58 HB3 TYR 6 3HB TYR 6 9.430 -3.689 -12.360 59 HD1 TYR 6 HD2 TYR 6 12.207 -1.784 -10.914 60 HD2 TYR 6 HD1 TYR 6 10.761 -3.777 -14.383 61 HE1 TYR 6 HE2 TYR 6 14.469 -1.735 -11.877 62 HE2 TYR 6 HE1 TYR 6 13.020 -3.736 -15.356 63 HH TYR 6 HH TYR 6 15.769 -3.085 -13.590 64 H ARG 7 H ARG 7 10.070 -1.305 -14.644 65 HA ARG 7 HA ARG 7 7.688 -1.110 -16.149 66 HB2 ARG 7 2HB ARG 7 10.547 -1.680 -16.914 67 HB3 ARG 7 3HB ARG 7 9.258 -1.586 -18.107 68 HG2 ARG 7 2HG ARG 7 10.213 0.536 -18.120 69 HG3 ARG 7 3HG ARG 7 8.765 0.722 -17.128 70 HD2 ARG 7 2HD ARG 7 9.982 0.851 -15.154 71 HD3 ARG 7 3HD ARG 7 11.395 0.069 -15.861 72 HE ARG 7 HE ARG 7 10.762 2.866 -15.907 73 HH11 ARG 7 1HH1 ARG 7 12.456 0.303 -17.543 74 HH12 ARG 7 2HH1 ARG 7 13.598 1.364 -18.300 75 HH21 ARG 7 1HH2 ARG 7 12.259 4.273 -16.897 76 HH22 ARG 7 2HH2 ARG 7 13.486 3.622 -17.931 77 H GLY 8 H GLY 8 6.249 -2.705 -16.312 78 HA2 GLY 8 2HA GLY 8 6.143 -4.870 -17.716 79 HA3 GLY 8 3HA GLY 8 7.221 -5.478 -16.468 80 H ILE 9 H ILE 9 5.753 -3.793 -14.445 81 HA ILE 9 HA ILE 9 3.260 -5.346 -14.286 82 HB ILE 9 HB ILE 9 4.878 -6.437 -12.829 83 HG12 ILE 9 2HG1 ILE 9 3.626 -6.244 -10.683 84 HG13 ILE 9 3HG1 ILE 9 2.793 -4.835 -11.330 85 HG21 ILE 9 1HG2 ILE 9 5.070 -3.925 -11.200 86 HG22 ILE 9 2HG2 ILE 9 6.080 -5.369 -11.131 87 HG23 ILE 9 3HG2 ILE 9 6.205 -4.271 -12.505 88 HD11 ILE 9 3HD1 ILE 9 1.574 -7.056 -11.415 89 HD12 ILE 9 1HD1 ILE 9 1.628 -6.113 -12.904 90 HD13 ILE 9 2HD1 ILE 9 2.700 -7.499 -12.698 91 H TYR 10 H TYR 10 1.525 -4.140 -13.888 92 HA TYR 10 HA TYR 10 1.803 -1.318 -13.437 93 HB2 TYR 10 2HB TYR 10 -0.504 -3.177 -13.892 94 HB3 TYR 10 3HB TYR 10 -0.801 -1.543 -13.309 95 HD1 TYR 10 HD2 TYR 10 -0.142 0.403 -14.712 96 HD2 TYR 10 HD1 TYR 10 0.089 -3.591 -16.161 97 HE1 TYR 10 HE2 TYR 10 -0.017 1.253 -17.017 98 HE2 TYR 10 HE1 TYR 10 0.216 -2.752 -18.470 99 HH TYR 10 HH TYR 10 0.192 0.733 -19.162 100 H ARG 11 H ARG 11 2.266 -0.573 -11.476 101 HA ARG 11 HA ARG 11 0.535 -1.211 -9.257 102 HB2 ARG 11 2HB ARG 11 3.407 -2.077 -9.336 103 HB3 ARG 11 3HB ARG 11 2.654 -1.649 -7.805 104 HG2 ARG 11 2HG ARG 11 0.803 -3.334 -8.670 105 HG3 ARG 11 3HG ARG 11 2.175 -3.976 -9.574 106 HD2 ARG 11 2HD ARG 11 3.286 -4.639 -7.685 107 HD3 ARG 11 3HD ARG 11 2.540 -3.396 -6.681 108 HE ARG 11 HE ARG 11 1.617 -6.052 -7.059 109 HH11 ARG 11 1HH1 ARG 11 0.512 -2.780 -6.616 110 HH12 ARG 11 2HH1 ARG 11 -0.993 -3.247 -5.897 111 HH21 ARG 11 1HH2 ARG 11 -0.362 -6.680 -6.113 112 HH22 ARG 11 2HH2 ARG 11 -1.489 -5.465 -5.610 113 H ARG 12 H ARG 12 1.570 -0.034 -7.193 114 HA ARG 12 HA ARG 12 2.639 2.562 -8.066 115 HB2 ARG 12 2HB ARG 12 0.096 2.495 -7.591 116 HB3 ARG 12 3HB ARG 12 0.565 2.363 -5.901 117 HG2 ARG 12 2HG ARG 12 1.756 4.549 -7.522 118 HG3 ARG 12 3HG ARG 12 0.069 4.691 -7.023 119 HD2 ARG 12 2HD ARG 12 2.086 3.905 -4.983 120 HD3 ARG 12 3HD ARG 12 2.048 5.586 -5.515 121 HE ARG 12 HE ARG 12 0.118 4.248 -3.863 122 HH11 ARG 12 1HH1 ARG 12 0.636 6.867 -6.098 123 HH12 ARG 12 2HH1 ARG 12 -0.684 7.814 -5.497 124 HH21 ARG 12 1HH2 ARG 12 -1.623 5.485 -3.063 125 HH22 ARG 12 2HH2 ARG 12 -1.968 7.027 -3.770 126 H ARG 13 H ARG 13 4.220 3.387 -6.814 127 HA ARG 13 HA ARG 13 5.053 1.793 -4.503 128 HB2 ARG 13 2HB ARG 13 7.221 2.786 -4.762 129 HB3 ARG 13 3HB ARG 13 6.674 2.262 -6.349 130 HG2 ARG 13 2HG ARG 13 6.138 4.506 -6.978 131 HG3 ARG 13 3HG ARG 13 6.451 5.088 -5.342 132 HD2 ARG 13 2HD ARG 13 8.773 4.683 -5.542 133 HD3 ARG 13 3HD ARG 13 8.553 3.730 -7.009 134 HE ARG 13 HE ARG 13 7.638 6.411 -7.333 135 HH11 ARG 13 1HH1 ARG 13 10.488 4.412 -7.281 136 HH12 ARG 13 2HH1 ARG 13 11.407 5.470 -8.299 137 HH21 ARG 13 1HH2 ARG 13 8.838 7.812 -8.674 138 HH22 ARG 13 2HH2 ARG 13 10.468 7.404 -9.091 Start of MODEL 9 1 H1 LYS 1 H LYS 1 -0.444 1.086 -0.553 2 HA LYS 1 HA LYS 1 1.295 1.227 -2.719 3 HB2 LYS 1 2HB LYS 1 2.872 2.321 -1.151 4 HB3 LYS 1 3HB LYS 1 1.239 2.965 -1.039 5 HG2 LYS 1 2HG LYS 1 0.844 1.624 0.963 6 HG3 LYS 1 3HG LYS 1 2.482 0.976 0.851 7 HD2 LYS 1 2HD LYS 1 3.343 3.309 1.033 8 HD3 LYS 1 3HD LYS 1 1.687 3.848 1.320 9 HE2 LYS 1 2HE LYS 1 1.605 2.930 3.410 10 HE3 LYS 1 3HE LYS 1 2.744 1.645 3.009 11 HZ1 LYS 1 3HZ LYS 1 3.454 4.498 3.433 12 HZ2 LYS 1 1HZ LYS 1 4.539 3.248 3.080 13 HZ3 LYS 1 2HZ LYS 1 3.699 3.250 4.548 14 H TRP 2 H TRP 2 2.983 0.056 -3.401 15 HA TRP 2 HA TRP 2 3.971 -2.089 -1.637 16 HB2 TRP 2 2HB TRP 2 3.712 -3.644 -3.253 17 HB3 TRP 2 3HB TRP 2 2.585 -2.488 -3.959 18 HD1 TRP 2 HD1 TRP 2 3.805 -0.735 -5.823 19 HE1 TRP 2 HE1 TRP 2 5.537 -1.335 -7.630 20 HE3 TRP 2 HE3 TRP 2 5.523 -5.136 -3.869 21 HZ2 TRP 2 HZ2 TRP 2 7.387 -3.401 -8.157 22 HZ3 TRP 2 HZ3 TRP 2 7.275 -6.363 -5.087 23 HH2 TRP 2 HH2 TRP 2 8.186 -5.512 -7.186 24 H PHE 3 H PHE 3 6.132 -2.989 -2.762 25 HA PHE 3 HA PHE 3 8.107 -1.100 -2.309 26 HB2 PHE 3 2HB PHE 3 7.979 -3.830 -3.265 27 HB3 PHE 3 3HB PHE 3 9.236 -2.929 -4.106 28 HD1 PHE 3 HD1 PHE 3 10.510 -1.262 -2.292 29 HD2 PHE 3 HD2 PHE 3 8.774 -5.070 -1.520 30 HE1 PHE 3 HE1 PHE 3 12.009 -1.550 -0.363 31 HE2 PHE 3 HE2 PHE 3 10.269 -5.364 0.411 32 HZ PHE 3 HZ PHE 3 11.889 -3.603 0.993 33 H ARG 4 H ARG 4 9.899 -0.784 -4.159 34 HA ARG 4 HA ARG 4 8.952 1.208 -5.843 35 HB2 ARG 4 2HB ARG 4 11.393 0.491 -5.123 36 HB3 ARG 4 3HB ARG 4 11.355 -0.365 -6.659 37 HG2 ARG 4 2HG ARG 4 11.120 1.620 -7.886 38 HG3 ARG 4 3HG ARG 4 10.681 2.550 -6.452 39 HD2 ARG 4 2HD ARG 4 12.868 3.187 -6.720 40 HD3 ARG 4 3HD ARG 4 13.057 1.815 -5.628 41 HE ARG 4 HE ARG 4 14.161 0.697 -7.288 42 HH11 ARG 4 1HH1 ARG 4 12.429 3.375 -8.683 43 HH12 ARG 4 2HH1 ARG 4 13.130 3.177 -10.256 44 HH21 ARG 4 1HH2 ARG 4 15.090 0.426 -9.354 45 HH22 ARG 4 2HH2 ARG 4 14.642 1.499 -10.636 46 H VAL 5 H VAL 5 7.914 1.216 -7.728 47 HA VAL 5 HA VAL 5 7.012 -1.191 -8.928 48 HB VAL 5 HB VAL 5 5.972 0.202 -10.610 49 HG11 VAL 5 1HG1 VAL 5 5.847 1.244 -7.795 50 HG12 VAL 5 2HG1 VAL 5 4.793 1.855 -9.072 51 HG13 VAL 5 3HG1 VAL 5 4.731 0.152 -8.615 52 HG21 VAL 5 3HG2 VAL 5 6.529 2.823 -9.956 53 HG22 VAL 5 1HG2 VAL 5 8.106 2.037 -9.879 54 HG23 VAL 5 2HG2 VAL 5 7.149 1.948 -11.357 55 H TYR 6 H TYR 6 7.537 -2.120 -10.904 56 HA TYR 6 HA TYR 6 10.028 -1.175 -12.158 57 HB2 TYR 6 2HB TYR 6 10.113 -3.322 -10.647 58 HB3 TYR 6 3HB TYR 6 9.388 -4.099 -12.050 59 HD1 TYR 6 HD1 TYR 6 12.227 -1.798 -11.247 60 HD2 TYR 6 HD2 TYR 6 10.813 -5.058 -13.588 61 HE1 TYR 6 HE1 TYR 6 14.455 -2.027 -12.262 62 HE2 TYR 6 HE2 TYR 6 13.038 -5.297 -14.609 63 HH TYR 6 HH TYR 6 15.196 -3.217 -14.821 64 H ARG 7 H ARG 7 10.302 -1.811 -14.395 65 HA ARG 7 HA ARG 7 7.920 -1.462 -15.903 66 HB2 ARG 7 2HB ARG 7 10.775 -2.065 -16.640 67 HB3 ARG 7 3HB ARG 7 9.508 -1.997 -17.857 68 HG2 ARG 7 2HG ARG 7 10.480 0.126 -17.877 69 HG3 ARG 7 3HG ARG 7 8.987 0.324 -16.957 70 HD2 ARG 7 2HD ARG 7 10.121 0.456 -14.920 71 HD3 ARG 7 3HD ARG 7 11.586 -0.266 -15.585 72 HE ARG 7 HE ARG 7 10.944 2.229 -16.820 73 HH11 ARG 7 1HH1 ARG 7 12.417 0.765 -14.026 74 HH12 ARG 7 2HH1 ARG 7 13.450 2.118 -13.700 75 HH21 ARG 7 1HH2 ARG 7 12.299 4.016 -16.402 76 HH22 ARG 7 2HH2 ARG 7 13.381 3.966 -15.052 77 H GLY 8 H GLY 8 6.440 -2.989 -16.204 78 HA2 GLY 8 2HA GLY 8 6.311 -5.144 -17.614 79 HA3 GLY 8 3HA GLY 8 7.312 -5.798 -16.326 80 H ILE 9 H ILE 9 5.751 -3.971 -14.428 81 HA ILE 9 HA ILE 9 3.212 -5.441 -14.369 82 HB ILE 9 HB ILE 9 4.704 -6.650 -12.870 83 HG12 ILE 9 2HG1 ILE 9 3.369 -6.442 -10.781 84 HG13 ILE 9 3HG1 ILE 9 2.652 -4.966 -11.417 85 HG21 ILE 9 1HG2 ILE 9 4.961 -4.189 -11.176 86 HG22 ILE 9 2HG2 ILE 9 5.887 -5.687 -11.100 87 HG23 ILE 9 3HG2 ILE 9 6.130 -4.567 -12.441 88 HD11 ILE 9 3HD1 ILE 9 2.457 -7.395 -13.091 89 HD12 ILE 9 1HD1 ILE 9 1.479 -7.331 -11.625 90 HD13 ILE 9 2HD1 ILE 9 1.306 -6.080 -12.855 91 H TYR 10 H TYR 10 1.531 -4.148 -14.016 92 HA TYR 10 HA TYR 10 1.914 -1.355 -13.550 93 HB2 TYR 10 2HB TYR 10 -0.413 -3.141 -14.066 94 HB3 TYR 10 3HB TYR 10 -0.731 -1.575 -13.329 95 HD1 TYR 10 HD1 TYR 10 1.038 -3.114 -16.230 96 HD2 TYR 10 HD2 TYR 10 -0.989 0.293 -14.685 97 HE1 TYR 10 HE1 TYR 10 1.132 -2.058 -18.450 98 HE2 TYR 10 HE2 TYR 10 -0.902 1.357 -16.900 99 HH TYR 10 HH TYR 10 1.072 0.588 -19.232 100 H ARG 11 H ARG 11 2.427 -0.605 -11.603 101 HA ARG 11 HA ARG 11 0.704 -1.180 -9.354 102 HB2 ARG 11 2HB ARG 11 3.582 -2.044 -9.437 103 HB3 ARG 11 3HB ARG 11 2.803 -1.642 -7.913 104 HG2 ARG 11 2HG ARG 11 1.009 -3.334 -8.604 105 HG3 ARG 11 3HG ARG 11 2.183 -3.879 -9.804 106 HD2 ARG 11 2HD ARG 11 3.637 -4.682 -8.214 107 HD3 ARG 11 3HD ARG 11 3.050 -3.580 -6.969 108 HE ARG 11 HE ARG 11 2.086 -6.206 -7.526 109 HH11 ARG 11 1HH1 ARG 11 1.141 -3.057 -6.382 110 HH12 ARG 11 2HH1 ARG 11 -0.185 -3.653 -5.440 111 HH21 ARG 11 1HH2 ARG 11 0.342 -7.003 -6.291 112 HH22 ARG 11 2HH2 ARG 11 -0.638 -5.898 -5.389 113 H ARG 12 H ARG 12 1.747 0.025 -7.326 114 HA ARG 12 HA ARG 12 2.991 2.532 -8.182 115 HB2 ARG 12 2HB ARG 12 0.413 2.667 -8.076 116 HB3 ARG 12 3HB ARG 12 0.621 2.583 -6.332 117 HG2 ARG 12 2HG ARG 12 1.857 4.616 -6.302 118 HG3 ARG 12 3HG ARG 12 1.950 4.650 -8.064 119 HD2 ARG 12 2HD ARG 12 -0.518 4.848 -8.142 120 HD3 ARG 12 3HD ARG 12 -0.536 4.934 -6.381 121 HE ARG 12 HE ARG 12 1.192 6.904 -7.431 122 HH11 ARG 12 1HH1 ARG 12 -2.188 6.139 -7.100 123 HH12 ARG 12 2HH1 ARG 12 -2.697 7.795 -7.109 124 HH21 ARG 12 1HH2 ARG 12 0.534 9.088 -7.444 125 HH22 ARG 12 2HH2 ARG 12 -1.149 9.472 -7.305 126 H ARG 13 H ARG 13 4.476 3.271 -6.783 127 HA ARG 13 HA ARG 13 5.439 1.710 -4.698 128 HB2 ARG 13 2HB ARG 13 5.770 4.689 -5.098 129 HB3 ARG 13 3HB ARG 13 6.764 3.687 -4.049 130 HG2 ARG 13 2HG ARG 13 7.332 2.346 -6.134 131 HG3 ARG 13 3HG ARG 13 6.619 3.680 -7.044 132 HD2 ARG 13 2HD ARG 13 8.909 3.888 -5.091 133 HD3 ARG 13 3HD ARG 13 9.043 3.926 -6.849 134 HE ARG 13 HE ARG 13 7.271 5.939 -6.037 135 HH11 ARG 13 1HH1 ARG 13 10.653 5.133 -5.864 136 HH12 ARG 13 2HH1 ARG 13 11.177 6.784 -5.804 137 HH21 ARG 13 1HH2 ARG 13 7.948 8.116 -5.958 138 HH22 ARG 13 2HH2 ARG 13 9.638 8.479 -5.856 Start of MODEL 10 1 H1 LYS 1 H LYS 1 0.764 -0.528 0.633 2 HA LYS 1 HA LYS 1 1.280 0.282 -2.116 3 HB2 LYS 1 2HB LYS 1 2.633 1.597 0.247 4 HB3 LYS 1 3HB LYS 1 3.096 1.817 -1.435 5 HG2 LYS 1 2HG LYS 1 0.334 2.459 -0.462 6 HG3 LYS 1 3HG LYS 1 1.659 3.621 -0.358 7 HD2 LYS 1 2HD LYS 1 1.907 3.700 -2.701 8 HD3 LYS 1 3HD LYS 1 0.928 2.250 -2.933 9 HE2 LYS 1 2HE LYS 1 -0.196 4.762 -1.725 10 HE3 LYS 1 3HE LYS 1 -0.152 4.503 -3.468 11 HZ1 LYS 1 3HZ LYS 1 -2.271 3.843 -2.422 12 HZ2 LYS 1 1HZ LYS 1 -1.449 2.657 -1.539 13 HZ3 LYS 1 2HZ LYS 1 -1.509 2.565 -3.227 14 H TRP 2 H TRP 2 3.213 -0.530 -2.965 15 HA TRP 2 HA TRP 2 4.558 -2.520 -1.257 16 HB2 TRP 2 2HB TRP 2 4.399 -4.075 -2.887 17 HB3 TRP 2 3HB TRP 2 3.123 -3.041 -3.524 18 HD1 TRP 2 HD1 TRP 2 4.060 -1.142 -5.408 19 HE1 TRP 2 HE1 TRP 2 5.766 -1.527 -7.297 20 HE3 TRP 2 HE3 TRP 2 6.333 -5.352 -3.605 21 HZ2 TRP 2 HZ2 TRP 2 7.805 -3.371 -7.938 22 HZ3 TRP 2 HZ3 TRP 2 8.152 -6.364 -4.917 23 HH2 TRP 2 HH2 TRP 2 8.871 -5.393 -7.038 24 H PHE 3 H PHE 3 6.752 -3.164 -2.488 25 HA PHE 3 HA PHE 3 8.528 -1.076 -2.087 26 HB2 PHE 3 2HB PHE 3 8.656 -3.792 -3.083 27 HB3 PHE 3 3HB PHE 3 9.769 -2.748 -3.961 28 HD1 PHE 3 HD1 PHE 3 10.929 -0.971 -2.172 29 HD2 PHE 3 HD2 PHE 3 9.661 -4.960 -1.399 30 HE1 PHE 3 HE1 PHE 3 12.534 -1.118 -0.313 31 HE2 PHE 3 HE2 PHE 3 11.263 -5.113 0.462 32 HZ PHE 3 HZ PHE 3 12.702 -3.190 1.008 33 H ARG 4 H ARG 4 10.191 -0.542 -4.007 34 HA ARG 4 HA ARG 4 8.958 1.354 -5.614 35 HB2 ARG 4 2HB ARG 4 11.113 1.251 -6.963 36 HB3 ARG 4 3HB ARG 4 11.278 1.586 -5.244 37 HG2 ARG 4 2HG ARG 4 12.155 -0.512 -4.789 38 HG3 ARG 4 3HG ARG 4 11.513 -1.210 -6.277 39 HD2 ARG 4 2HD ARG 4 13.168 -0.247 -7.591 40 HD3 ARG 4 3HD ARG 4 13.542 0.986 -6.387 41 HE ARG 4 HE ARG 4 14.121 -1.658 -5.467 42 HH11 ARG 4 1HH1 ARG 4 15.321 0.994 -7.375 43 HH12 ARG 4 2HH1 ARG 4 16.986 0.561 -7.168 44 HH21 ARG 4 1HH2 ARG 4 16.309 -2.240 -5.187 45 HH22 ARG 4 2HH2 ARG 4 17.546 -1.279 -5.924 46 H VAL 5 H VAL 5 7.857 1.276 -7.463 47 HA VAL 5 HA VAL 5 7.170 -1.204 -8.662 48 HB VAL 5 HB VAL 5 5.908 0.084 -10.272 49 HG11 VAL 5 1HG1 VAL 5 5.796 1.080 -7.440 50 HG12 VAL 5 2HG1 VAL 5 4.623 1.578 -8.660 51 HG13 VAL 5 3HG1 VAL 5 4.774 -0.124 -8.223 52 HG21 VAL 5 3HG2 VAL 5 6.972 1.915 -11.035 53 HG22 VAL 5 1HG2 VAL 5 6.134 2.725 -9.712 54 HG23 VAL 5 2HG2 VAL 5 7.804 2.196 -9.506 55 H TYR 6 H TYR 6 7.415 -1.664 -11.001 56 HA TYR 6 HA TYR 6 9.853 -0.574 -12.196 57 HB2 TYR 6 2HB TYR 6 10.161 -2.818 -10.840 58 HB3 TYR 6 3HB TYR 6 9.466 -3.538 -12.288 59 HD1 TYR 6 HD1 TYR 6 12.115 -1.063 -11.361 60 HD2 TYR 6 HD2 TYR 6 10.929 -4.247 -13.922 61 HE1 TYR 6 HE1 TYR 6 14.326 -1.012 -12.438 62 HE2 TYR 6 HE2 TYR 6 13.137 -4.206 -15.005 63 HH TYR 6 HH TYR 6 15.671 -1.964 -13.926 64 H ARG 7 H ARG 7 10.127 -1.491 -14.485 65 HA ARG 7 HA ARG 7 7.666 -1.027 -15.890 66 HB2 ARG 7 2HB ARG 7 10.317 -1.900 -17.045 67 HB3 ARG 7 3HB ARG 7 8.993 -1.115 -17.894 68 HG2 ARG 7 2HG ARG 7 10.722 0.107 -15.754 69 HG3 ARG 7 3HG ARG 7 10.767 0.463 -17.482 70 HD2 ARG 7 2HD ARG 7 8.416 1.246 -17.325 71 HD3 ARG 7 3HD ARG 7 8.489 1.000 -15.581 72 HE ARG 7 HE ARG 7 10.596 2.683 -16.497 73 HH11 ARG 7 1HH1 ARG 7 7.203 2.630 -15.717 74 HH12 ARG 7 2HH1 ARG 7 7.134 4.316 -15.323 75 HH21 ARG 7 1HH2 ARG 7 10.517 4.904 -15.982 76 HH22 ARG 7 2HH2 ARG 7 9.020 5.609 -15.476 77 H GLY 8 H GLY 8 6.184 -2.583 -16.037 78 HA2 GLY 8 2HA GLY 8 5.977 -4.709 -17.492 79 HA3 GLY 8 3HA GLY 8 7.081 -5.373 -16.297 80 H ILE 9 H ILE 9 5.673 -3.639 -14.227 81 HA ILE 9 HA ILE 9 3.164 -5.151 -14.007 82 HB ILE 9 HB ILE 9 4.794 -6.328 -12.632 83 HG12 ILE 9 2HG1 ILE 9 3.614 -6.168 -10.449 84 HG13 ILE 9 3HG1 ILE 9 2.815 -4.706 -11.016 85 HG21 ILE 9 1HG2 ILE 9 5.113 -3.869 -10.945 86 HG22 ILE 9 2HG2 ILE 9 6.081 -5.342 -10.948 87 HG23 ILE 9 3HG2 ILE 9 6.194 -4.210 -12.295 88 HD11 ILE 9 3HD1 ILE 9 2.054 -7.418 -11.379 89 HD12 ILE 9 1HD1 ILE 9 1.206 -5.952 -11.868 90 HD13 ILE 9 2HD1 ILE 9 2.373 -6.700 -12.958 91 H TYR 10 H TYR 10 1.481 -3.906 -13.520 92 HA TYR 10 HA TYR 10 1.855 -1.106 -13.013 93 HB2 TYR 10 2HB TYR 10 -0.615 -2.831 -13.221 94 HB3 TYR 10 3HB TYR 10 -0.671 -1.096 -12.931 95 HD1 TYR 10 HD1 TYR 10 0.646 -3.613 -15.344 96 HD2 TYR 10 HD2 TYR 10 -0.699 0.378 -14.734 97 HE1 TYR 10 HE1 TYR 10 0.754 -3.212 -17.768 98 HE2 TYR 10 HE2 TYR 10 -0.596 0.789 -17.156 99 HH TYR 10 HH TYR 10 -0.627 -1.343 -19.387 100 H ARG 11 H ARG 11 2.410 -0.418 -11.055 101 HA ARG 11 HA ARG 11 0.747 -1.070 -8.786 102 HB2 ARG 11 2HB ARG 11 3.605 -1.972 -8.984 103 HB3 ARG 11 3HB ARG 11 2.896 -1.588 -7.421 104 HG2 ARG 11 2HG ARG 11 1.006 -3.225 -8.290 105 HG3 ARG 11 3HG ARG 11 2.347 -3.851 -9.252 106 HD2 ARG 11 2HD ARG 11 3.496 -4.592 -7.417 107 HD3 ARG 11 3HD ARG 11 2.800 -3.370 -6.354 108 HE ARG 11 HE ARG 11 1.828 -5.998 -6.774 109 HH11 ARG 11 1HH1 ARG 11 0.771 -2.724 -6.239 110 HH12 ARG 11 2HH1 ARG 11 -0.724 -3.190 -5.498 111 HH21 ARG 11 1HH2 ARG 11 -0.138 -6.624 -5.801 112 HH22 ARG 11 2HH2 ARG 11 -1.240 -5.408 -5.249 113 H ARG 12 H ARG 12 1.880 0.042 -6.739 114 HA ARG 12 HA ARG 12 3.020 2.615 -7.576 115 HB2 ARG 12 2HB ARG 12 0.480 2.675 -7.161 116 HB3 ARG 12 3HB ARG 12 0.884 2.459 -5.463 117 HG2 ARG 12 2HG ARG 12 1.764 4.553 -5.259 118 HG3 ARG 12 3HG ARG 12 2.240 4.638 -6.956 119 HD2 ARG 12 2HD ARG 12 -0.332 4.617 -7.386 120 HD3 ARG 12 3HD ARG 12 -0.427 5.136 -5.703 121 HE ARG 12 HE ARG 12 0.370 7.194 -6.324 122 HH11 ARG 12 1HH1 ARG 12 0.872 4.929 -8.920 123 HH12 ARG 12 2HH1 ARG 12 1.362 6.141 -10.057 124 HH21 ARG 12 1HH2 ARG 12 1.014 8.799 -7.812 125 HH22 ARG 12 2HH2 ARG 12 1.443 8.342 -9.426 126 H ARG 13 H ARG 13 4.727 3.201 -6.400 127 HA ARG 13 HA ARG 13 5.487 1.576 -4.123 128 HB2 ARG 13 2HB ARG 13 7.633 2.584 -4.300 129 HB3 ARG 13 3HB ARG 13 7.088 2.277 -5.944 130 HG2 ARG 13 2HG ARG 13 6.481 4.604 -6.213 131 HG3 ARG 13 3HG ARG 13 6.927 4.934 -4.537 132 HD2 ARG 13 2HD ARG 13 9.241 4.257 -5.050 133 HD3 ARG 13 3HD ARG 13 8.776 4.008 -6.732 134 HE ARG 13 HE ARG 13 8.081 6.617 -5.996 135 HH11 ARG 13 1HH1 ARG 13 10.920 4.669 -6.515 136 HH12 ARG 13 2HH1 ARG 13 11.911 6.008 -6.992 137 HH21 ARG 13 1HH2 ARG 13 9.375 8.388 -6.622 138 HH22 ARG 13 2HH2 ARG 13 11.031 8.123 -7.052 Start of MODEL 11 1 H1 LYS 1 H LYS 1 0.825 -0.395 0.304 2 HA LYS 1 HA LYS 1 2.032 0.594 -2.197 3 HB2 LYS 1 2HB LYS 1 2.778 1.151 0.674 4 HB3 LYS 1 3HB LYS 1 3.834 1.530 -0.680 5 HG2 LYS 1 2HG LYS 1 2.783 3.539 -0.328 6 HG3 LYS 1 3HG LYS 1 1.768 2.825 -1.584 7 HD2 LYS 1 2HD LYS 1 0.024 2.440 -0.146 8 HD3 LYS 1 3HD LYS 1 1.077 2.301 1.265 9 HE2 LYS 1 2HE LYS 1 -0.114 4.326 1.528 10 HE3 LYS 1 3HE LYS 1 1.515 4.777 1.025 11 HZ1 LYS 1 3HZ LYS 1 -0.730 5.690 -0.117 12 HZ2 LYS 1 1HZ LYS 1 -0.360 4.396 -1.142 13 HZ3 LYS 1 2HZ LYS 1 0.772 5.628 -0.893 14 H TRP 2 H TRP 2 3.747 -0.479 -3.027 15 HA TRP 2 HA TRP 2 4.833 -2.724 -1.459 16 HB2 TRP 2 2HB TRP 2 4.413 -4.219 -3.098 17 HB3 TRP 2 3HB TRP 2 3.236 -3.034 -3.656 18 HD1 TRP 2 HD1 TRP 2 4.292 -1.221 -5.561 19 HE1 TRP 2 HE1 TRP 2 5.846 -1.765 -7.540 20 HE3 TRP 2 HE3 TRP 2 6.148 -5.697 -3.931 21 HZ2 TRP 2 HZ2 TRP 2 7.622 -3.819 -8.309 22 HZ3 TRP 2 HZ3 TRP 2 7.769 -6.888 -5.348 23 HH2 TRP 2 HH2 TRP 2 8.489 -5.967 -7.491 24 H PHE 3 H PHE 3 6.874 -3.594 -2.810 25 HA PHE 3 HA PHE 3 8.897 -1.732 -2.475 26 HB2 PHE 3 2HB PHE 3 8.659 -4.425 -3.510 27 HB3 PHE 3 3HB PHE 3 9.840 -3.500 -4.432 28 HD1 PHE 3 HD1 PHE 3 11.287 -1.903 -2.684 29 HD2 PHE 3 HD2 PHE 3 9.605 -5.732 -1.895 30 HE1 PHE 3 HE1 PHE 3 12.956 -2.267 -0.913 31 HE2 PHE 3 HE2 PHE 3 11.270 -6.102 -0.122 32 HZ PHE 3 HZ PHE 3 12.948 -4.368 0.372 33 H ARG 4 H ARG 4 10.513 -1.358 -4.471 34 HA ARG 4 HA ARG 4 9.431 0.698 -5.989 35 HB2 ARG 4 2HB ARG 4 11.931 -0.911 -6.115 36 HB3 ARG 4 3HB ARG 4 11.519 0.056 -7.525 37 HG2 ARG 4 2HG ARG 4 11.498 1.305 -4.815 38 HG3 ARG 4 3HG ARG 4 13.026 1.048 -5.660 39 HD2 ARG 4 2HD ARG 4 12.081 2.275 -7.608 40 HD3 ARG 4 3HD ARG 4 10.653 2.630 -6.636 41 HE ARG 4 HE ARG 4 12.956 3.465 -5.253 42 HH11 ARG 4 1HH1 ARG 4 11.032 4.294 -8.034 43 HH12 ARG 4 2HH1 ARG 4 11.437 5.977 -7.975 44 HH21 ARG 4 1HH2 ARG 4 13.496 5.679 -5.164 45 HH22 ARG 4 2HH2 ARG 4 12.839 6.764 -6.343 46 H VAL 5 H VAL 5 8.227 0.779 -7.771 47 HA VAL 5 HA VAL 5 7.193 -1.577 -8.963 48 HB VAL 5 HB VAL 5 6.021 -0.120 -10.496 49 HG11 VAL 5 1HG1 VAL 5 6.170 0.861 -7.658 50 HG12 VAL 5 2HG1 VAL 5 4.993 1.481 -8.817 51 HG13 VAL 5 3HG1 VAL 5 4.986 -0.228 -8.380 52 HG21 VAL 5 3HG2 VAL 5 6.627 2.470 -9.878 53 HG22 VAL 5 1HG2 VAL 5 8.215 1.704 -9.851 54 HG23 VAL 5 2HG2 VAL 5 7.213 1.603 -11.298 55 H TYR 6 H TYR 6 7.121 -1.512 -11.548 56 HA TYR 6 HA TYR 6 9.627 -0.851 -12.790 57 HB2 TYR 6 2HB TYR 6 9.881 -3.111 -11.483 58 HB3 TYR 6 3HB TYR 6 8.980 -3.776 -12.841 59 HD1 TYR 6 HD1 TYR 6 11.948 -1.609 -12.161 60 HD2 TYR 6 HD2 TYR 6 10.163 -4.542 -14.674 61 HE1 TYR 6 HE1 TYR 6 14.032 -1.755 -13.460 62 HE2 TYR 6 HE2 TYR 6 12.242 -4.697 -15.979 63 HH TYR 6 HH TYR 6 15.177 -3.155 -14.952 64 H ARG 7 H ARG 7 9.662 -1.547 -15.102 65 HA ARG 7 HA ARG 7 7.139 -0.961 -16.309 66 HB2 ARG 7 2HB ARG 7 9.853 -1.665 -17.409 67 HB3 ARG 7 3HB ARG 7 8.458 -1.439 -18.455 68 HG2 ARG 7 2HG ARG 7 9.535 0.624 -18.473 69 HG3 ARG 7 3HG ARG 7 8.209 0.841 -17.329 70 HD2 ARG 7 2HD ARG 7 9.612 0.863 -15.501 71 HD3 ARG 7 3HD ARG 7 10.873 -0.052 -16.327 72 HE ARG 7 HE ARG 7 10.512 2.482 -17.543 73 HH11 ARG 7 1HH1 ARG 7 11.871 0.948 -14.728 74 HH12 ARG 7 2HH1 ARG 7 13.071 2.174 -14.480 75 HH21 ARG 7 1HH2 ARG 7 12.087 4.101 -17.226 76 HH22 ARG 7 2HH2 ARG 7 13.192 3.967 -15.900 77 H GLY 8 H GLY 8 5.566 -2.423 -16.439 78 HA2 GLY 8 2HA GLY 8 5.149 -4.482 -17.936 79 HA3 GLY 8 3HA GLY 8 6.291 -5.248 -16.842 80 H ILE 9 H ILE 9 5.115 -3.515 -14.627 81 HA ILE 9 HA ILE 9 2.536 -4.877 -14.296 82 HB ILE 9 HB ILE 9 4.169 -6.244 -13.109 83 HG12 ILE 9 2HG1 ILE 9 3.155 -6.120 -10.833 84 HG13 ILE 9 3HG1 ILE 9 2.406 -4.593 -11.287 85 HG21 ILE 9 1HG2 ILE 9 4.771 -3.930 -11.301 86 HG22 ILE 9 2HG2 ILE 9 5.640 -5.454 -11.482 87 HG23 ILE 9 3HG2 ILE 9 5.726 -4.234 -12.752 88 HD11 ILE 9 3HD1 ILE 9 1.249 -7.041 -11.509 89 HD12 ILE 9 1HD1 ILE 9 0.768 -5.605 -12.412 90 HD13 ILE 9 2HD1 ILE 9 1.862 -6.780 -13.142 91 H TYR 10 H TYR 10 0.987 -3.552 -13.610 92 HA TYR 10 HA TYR 10 1.602 -0.818 -12.987 93 HB2 TYR 10 2HB TYR 10 -1.077 -2.212 -12.844 94 HB3 TYR 10 3HB TYR 10 -0.791 -0.478 -12.941 95 HD1 TYR 10 HD2 TYR 10 -0.114 0.557 -15.045 96 HD2 TYR 10 HD1 TYR 10 -0.892 -3.619 -14.805 97 HE1 TYR 10 HE2 TYR 10 -0.227 0.443 -17.499 98 HE2 TYR 10 HE1 TYR 10 -1.006 -3.745 -17.259 99 HH TYR 10 HH TYR 10 0.161 -1.467 -19.272 100 H ARG 11 H ARG 11 2.344 -0.283 -11.044 101 HA ARG 11 HA ARG 11 0.809 -0.961 -8.692 102 HB2 ARG 11 2HB ARG 11 3.591 -2.003 -9.144 103 HB3 ARG 11 3HB ARG 11 2.999 -1.691 -7.518 104 HG2 ARG 11 2HG ARG 11 0.982 -3.170 -8.309 105 HG3 ARG 11 3HG ARG 11 2.164 -3.766 -9.476 106 HD2 ARG 11 2HD ARG 11 3.466 -4.739 -7.866 107 HD3 ARG 11 3HD ARG 11 2.978 -3.587 -6.624 108 HE ARG 11 HE ARG 11 1.707 -6.082 -7.270 109 HH11 ARG 11 1HH1 ARG 11 1.267 -2.922 -5.878 110 HH12 ARG 11 2HH1 ARG 11 -0.080 -3.398 -4.897 111 HH21 ARG 11 1HH2 ARG 11 -0.064 -6.722 -5.983 112 HH22 ARG 11 2HH2 ARG 11 -0.835 -5.560 -4.957 113 H ARG 12 H ARG 12 2.157 -0.037 -6.681 114 HA ARG 12 HA ARG 12 3.507 2.445 -7.427 115 HB2 ARG 12 2HB ARG 12 1.038 2.891 -7.169 116 HB3 ARG 12 3HB ARG 12 1.199 2.424 -5.481 117 HG2 ARG 12 2HG ARG 12 1.318 4.739 -5.425 118 HG3 ARG 12 3HG ARG 12 3.009 4.239 -5.361 119 HD2 ARG 12 2HD ARG 12 2.818 6.047 -6.919 120 HD3 ARG 12 3HD ARG 12 3.133 4.567 -7.824 121 HE ARG 12 HE ARG 12 0.348 5.054 -7.627 122 HH11 ARG 12 1HH1 ARG 12 3.221 6.122 -9.277 123 HH12 ARG 12 2HH1 ARG 12 2.369 6.670 -10.682 124 HH21 ARG 12 1HH2 ARG 12 -0.786 5.772 -9.471 125 HH22 ARG 12 2HH2 ARG 12 0.089 6.472 -10.791 126 H ARG 13 H ARG 13 4.939 3.216 -5.894 127 HA ARG 13 HA ARG 13 6.162 1.392 -4.198 128 HB2 ARG 13 2HB ARG 13 6.197 4.413 -4.063 129 HB3 ARG 13 3HB ARG 13 7.312 3.357 -3.206 130 HG2 ARG 13 2HG ARG 13 7.757 2.428 -5.632 131 HG3 ARG 13 3HG ARG 13 7.170 4.027 -6.093 132 HD2 ARG 13 2HD ARG 13 9.509 3.361 -4.318 133 HD3 ARG 13 3HD ARG 13 9.543 4.155 -5.892 134 HE ARG 13 HE ARG 13 8.027 5.825 -4.414 135 HH11 ARG 13 1HH1 ARG 13 11.145 4.366 -3.891 136 HH12 ARG 13 2HH1 ARG 13 11.743 5.679 -2.932 137 HH21 ARG 13 1HH2 ARG 13 8.804 7.559 -3.153 138 HH22 ARG 13 2HH2 ARG 13 10.410 7.494 -2.512 Start of MODEL 12 1 H1 LYS 1 H LYS 1 -0.157 0.022 0.037 2 HA LYS 1 HA LYS 1 1.225 0.786 -2.439 3 HB2 LYS 1 2HB LYS 1 1.951 1.435 0.423 4 HB3 LYS 1 3HB LYS 1 2.738 2.066 -1.018 5 HG2 LYS 1 2HG LYS 1 0.953 3.443 -1.548 6 HG3 LYS 1 3HG LYS 1 -0.186 2.506 -0.578 7 HD2 LYS 1 2HD LYS 1 0.148 4.405 0.715 8 HD3 LYS 1 3HD LYS 1 1.280 3.250 1.423 9 HE2 LYS 1 2HE LYS 1 2.954 4.279 -0.295 10 HE3 LYS 1 3HE LYS 1 1.820 5.629 -0.304 11 HZ1 LYS 1 3HZ LYS 1 2.065 5.748 2.126 12 HZ2 LYS 1 1HZ LYS 1 3.525 6.022 1.316 13 HZ3 LYS 1 2HZ LYS 1 3.238 4.532 2.062 14 H TRP 2 H TRP 2 2.945 -0.314 -3.158 15 HA TRP 2 HA TRP 2 4.064 -2.403 -1.404 16 HB2 TRP 2 2HB TRP 2 3.915 -3.931 -3.059 17 HB3 TRP 2 3HB TRP 2 2.737 -2.823 -3.757 18 HD1 TRP 2 HD1 TRP 2 3.887 -0.962 -5.560 19 HE1 TRP 2 HE1 TRP 2 5.676 -1.424 -7.351 20 HE3 TRP 2 HE3 TRP 2 5.815 -5.308 -3.679 21 HZ2 TRP 2 HZ2 TRP 2 7.645 -3.373 -7.895 22 HZ3 TRP 2 HZ3 TRP 2 7.649 -6.408 -4.896 23 HH2 TRP 2 HH2 TRP 2 8.543 -5.459 -6.960 24 H PHE 3 H PHE 3 6.288 -3.157 -2.514 25 HA PHE 3 HA PHE 3 8.149 -1.174 -1.985 26 HB2 PHE 3 2HB PHE 3 8.185 -3.884 -3.005 27 HB3 PHE 3 3HB PHE 3 9.403 -2.895 -3.805 28 HD1 PHE 3 HD1 PHE 3 10.554 -1.203 -1.932 29 HD2 PHE 3 HD2 PHE 3 9.024 -5.120 -1.278 30 HE1 PHE 3 HE1 PHE 3 12.038 -1.454 0.015 31 HE2 PHE 3 HE2 PHE 3 10.504 -5.377 0.670 32 HZ PHE 3 HZ PHE 3 12.013 -3.543 1.319 33 H ARG 4 H ARG 4 9.948 -0.717 -3.799 34 HA ARG 4 HA ARG 4 8.919 1.260 -5.452 35 HB2 ARG 4 2HB ARG 4 11.140 1.046 -6.677 36 HB3 ARG 4 3HB ARG 4 11.223 1.357 -4.948 37 HG2 ARG 4 2HG ARG 4 12.057 -0.716 -4.471 38 HG3 ARG 4 3HG ARG 4 11.306 -1.462 -5.883 39 HD2 ARG 4 2HD ARG 4 13.580 -1.430 -6.404 40 HD3 ARG 4 3HD ARG 4 12.927 -0.034 -7.260 41 HE ARG 4 HE ARG 4 13.887 0.662 -4.669 42 HH11 ARG 4 1HH1 ARG 4 14.890 -0.026 -7.931 43 HH12 ARG 4 2HH1 ARG 4 16.339 0.916 -7.823 44 HH21 ARG 4 1HH2 ARG 4 15.793 1.906 -4.514 45 HH22 ARG 4 2HH2 ARG 4 16.853 2.014 -5.878 46 H VAL 5 H VAL 5 7.936 1.267 -7.369 47 HA VAL 5 HA VAL 5 7.175 -1.160 -8.633 48 HB VAL 5 HB VAL 5 6.087 0.213 -10.299 49 HG11 VAL 5 1HG1 VAL 5 5.866 1.207 -7.471 50 HG12 VAL 5 2HG1 VAL 5 4.788 1.757 -8.756 51 HG13 VAL 5 3HG1 VAL 5 4.834 0.050 -8.310 52 HG21 VAL 5 3HG2 VAL 5 7.997 2.255 -9.325 53 HG22 VAL 5 1HG2 VAL 5 7.396 1.947 -10.954 54 HG23 VAL 5 2HG2 VAL 5 6.393 2.817 -9.794 55 H TYR 6 H TYR 6 7.506 -1.556 -10.995 56 HA TYR 6 HA TYR 6 10.064 -0.610 -12.034 57 HB2 TYR 6 2HB TYR 6 10.203 -2.863 -10.663 58 HB3 TYR 6 3HB TYR 6 9.562 -3.555 -12.149 59 HD1 TYR 6 HD1 TYR 6 12.383 -1.609 -10.742 60 HD2 TYR 6 HD2 TYR 6 10.954 -3.905 -14.027 61 HE1 TYR 6 HE1 TYR 6 14.651 -1.650 -11.692 62 HE2 TYR 6 HE2 TYR 6 13.219 -3.954 -14.985 63 HH TYR 6 HH TYR 6 15.283 -2.910 -14.886 64 H ARG 7 H ARG 7 10.401 -1.267 -14.311 65 HA ARG 7 HA ARG 7 8.019 -0.831 -15.820 66 HB2 ARG 7 2HB ARG 7 10.693 -1.696 -16.915 67 HB3 ARG 7 3HB ARG 7 9.428 -0.798 -17.744 68 HG2 ARG 7 2HG ARG 7 11.102 0.207 -15.451 69 HG3 ARG 7 3HG ARG 7 11.283 0.649 -17.150 70 HD2 ARG 7 2HD ARG 7 8.799 1.127 -15.509 71 HD3 ARG 7 3HD ARG 7 10.052 2.333 -15.800 72 HE ARG 7 HE ARG 7 9.132 1.293 -18.255 73 HH11 ARG 7 1HH1 ARG 7 8.145 3.372 -15.643 74 HH12 ARG 7 2HH1 ARG 7 7.090 4.329 -16.630 75 HH21 ARG 7 1HH2 ARG 7 7.747 2.546 -19.565 76 HH22 ARG 7 2HH2 ARG 7 6.863 3.857 -18.861 77 H GLY 8 H GLY 8 6.548 -2.377 -16.107 78 HA2 GLY 8 2HA GLY 8 6.423 -4.459 -17.632 79 HA3 GLY 8 3HA GLY 8 7.458 -5.160 -16.397 80 H ILE 9 H ILE 9 5.921 -3.464 -14.373 81 HA ILE 9 HA ILE 9 3.401 -4.968 -14.339 82 HB ILE 9 HB ILE 9 4.939 -6.227 -12.932 83 HG12 ILE 9 2HG1 ILE 9 3.642 -6.163 -10.822 84 HG13 ILE 9 3HG1 ILE 9 2.913 -4.645 -11.334 85 HG21 ILE 9 1HG2 ILE 9 5.200 -3.844 -11.129 86 HG22 ILE 9 2HG2 ILE 9 6.144 -5.333 -11.139 87 HG23 ILE 9 3HG2 ILE 9 6.349 -4.151 -12.431 88 HD11 ILE 9 3HD1 ILE 9 1.360 -5.721 -12.478 89 HD12 ILE 9 1HD1 ILE 9 2.576 -6.638 -13.367 90 HD13 ILE 9 2HD1 ILE 9 1.985 -7.230 -11.814 91 H TYR 10 H TYR 10 1.709 -3.719 -13.893 92 HA TYR 10 HA TYR 10 2.087 -0.949 -13.250 93 HB2 TYR 10 2HB TYR 10 -0.242 -2.692 -13.919 94 HB3 TYR 10 3HB TYR 10 -0.553 -1.156 -13.117 95 HD1 TYR 10 HD1 TYR 10 1.932 -2.098 -15.740 96 HD2 TYR 10 HD2 TYR 10 -1.435 0.286 -14.701 97 HE1 TYR 10 HE1 TYR 10 2.089 -0.943 -17.906 98 HE2 TYR 10 HE2 TYR 10 -1.289 1.446 -16.864 99 HH TYR 10 HH TYR 10 -0.327 1.439 -18.897 100 H ARG 11 H ARG 11 2.558 -0.348 -11.242 101 HA ARG 11 HA ARG 11 0.789 -1.098 -9.079 102 HB2 ARG 11 2HB ARG 11 3.675 -1.930 -9.172 103 HB3 ARG 11 3HB ARG 11 2.873 -1.636 -7.634 104 HG2 ARG 11 2HG ARG 11 1.121 -3.299 -8.377 105 HG3 ARG 11 3HG ARG 11 2.215 -3.714 -9.698 106 HD2 ARG 11 2HD ARG 11 3.775 -4.652 -8.292 107 HD3 ARG 11 3HD ARG 11 3.261 -3.688 -6.908 108 HE ARG 11 HE ARG 11 2.315 -6.264 -7.624 109 HH11 ARG 11 1HH1 ARG 11 1.293 -3.224 -6.269 110 HH12 ARG 11 2HH1 ARG 11 -0.001 -3.920 -5.350 111 HH21 ARG 11 1HH2 ARG 11 0.615 -7.192 -6.419 112 HH22 ARG 11 2HH2 ARG 11 -0.385 -6.177 -5.435 113 H ARG 12 H ARG 12 1.751 -0.027 -6.950 114 HA ARG 12 HA ARG 12 2.925 2.577 -7.623 115 HB2 ARG 12 2HB ARG 12 0.319 2.512 -7.342 116 HB3 ARG 12 3HB ARG 12 0.699 2.432 -5.626 117 HG2 ARG 12 2HG ARG 12 0.504 4.682 -5.871 118 HG3 ARG 12 3HG ARG 12 2.223 4.500 -6.223 119 HD2 ARG 12 2HD ARG 12 1.488 5.845 -7.961 120 HD3 ARG 12 3HD ARG 12 1.450 4.234 -8.675 121 HE ARG 12 HE ARG 12 -1.047 4.979 -7.495 122 HH11 ARG 12 1HH1 ARG 12 0.941 5.279 -10.337 123 HH12 ARG 12 2HH1 ARG 12 -0.396 5.565 -11.401 124 HH21 ARG 12 1HH2 ARG 12 -2.816 5.355 -8.886 125 HH22 ARG 12 2HH2 ARG 12 -2.532 5.610 -10.575 126 H ARG 13 H ARG 13 4.406 3.301 -6.198 127 HA ARG 13 HA ARG 13 5.556 1.597 -4.324 128 HB2 ARG 13 2HB ARG 13 5.704 4.617 -4.400 129 HB3 ARG 13 3HB ARG 13 6.821 3.552 -3.556 130 HG2 ARG 13 2HG ARG 13 7.093 2.515 -5.972 131 HG3 ARG 13 3HG ARG 13 6.568 4.130 -6.453 132 HD2 ARG 13 2HD ARG 13 8.366 5.029 -4.920 133 HD3 ARG 13 3HD ARG 13 8.964 3.375 -4.795 134 HE ARG 13 HE ARG 13 8.732 3.998 -7.503 135 HH11 ARG 13 1HH1 ARG 13 10.588 4.985 -4.728 136 HH12 ARG 13 2HH1 ARG 13 11.977 5.442 -5.656 137 HH21 ARG 13 1HH2 ARG 13 10.555 4.597 -8.736 138 HH22 ARG 13 2HH2 ARG 13 11.957 5.222 -7.936 Start of MODEL 13 1 H1 LYS 1 H LYS 1 0.258 -0.571 -0.433 2 HA LYS 1 HA LYS 1 1.311 0.963 -2.565 3 HB2 LYS 1 2HB LYS 1 2.979 2.250 -1.148 4 HB3 LYS 1 3HB LYS 1 1.323 2.843 -1.126 5 HG2 LYS 1 2HG LYS 1 2.143 0.917 0.979 6 HG3 LYS 1 3HG LYS 1 2.735 2.576 1.083 7 HD2 LYS 1 2HD LYS 1 0.274 3.247 0.719 8 HD3 LYS 1 3HD LYS 1 -0.092 1.574 1.146 9 HE2 LYS 1 2HE LYS 1 -0.252 2.729 3.170 10 HE3 LYS 1 3HE LYS 1 1.347 1.988 3.223 11 HZ1 LYS 1 3HZ LYS 1 0.636 4.745 3.285 12 HZ2 LYS 1 1HZ LYS 1 1.736 4.428 2.039 13 HZ3 LYS 1 2HZ LYS 1 2.121 4.012 3.633 14 H TRP 2 H TRP 2 2.988 -0.122 -3.383 15 HA TRP 2 HA TRP 2 4.368 -2.046 -1.628 16 HB2 TRP 2 2HB TRP 2 4.185 -3.650 -3.207 17 HB3 TRP 2 3HB TRP 2 2.901 -2.635 -3.859 18 HD1 TRP 2 HD1 TRP 2 3.815 -0.795 -5.813 19 HE1 TRP 2 HE1 TRP 2 5.495 -1.239 -7.712 20 HE3 TRP 2 HE3 TRP 2 6.108 -4.950 -3.913 21 HZ2 TRP 2 HZ2 TRP 2 7.523 -3.104 -8.323 22 HZ3 TRP 2 HZ3 TRP 2 7.908 -6.004 -5.217 23 HH2 TRP 2 HH2 TRP 2 8.599 -5.099 -7.377 24 H PHE 3 H PHE 3 6.544 -2.730 -2.869 25 HA PHE 3 HA PHE 3 8.327 -0.633 -2.556 26 HB2 PHE 3 2HB PHE 3 8.439 -3.378 -3.470 27 HB3 PHE 3 3HB PHE 3 9.541 -2.362 -4.395 28 HD1 PHE 3 HD1 PHE 3 10.729 -0.535 -2.679 29 HD2 PHE 3 HD2 PHE 3 9.464 -4.494 -1.762 30 HE1 PHE 3 HE1 PHE 3 12.359 -0.626 -0.838 31 HE2 PHE 3 HE2 PHE 3 11.091 -4.591 0.080 32 HZ PHE 3 HZ PHE 3 12.541 -2.655 0.545 33 H ARG 4 H ARG 4 9.964 -0.160 -4.513 34 HA ARG 4 HA ARG 4 8.706 1.685 -6.163 35 HB2 ARG 4 2HB ARG 4 11.095 1.768 -5.700 36 HB3 ARG 4 3HB ARG 4 11.341 0.262 -6.573 37 HG2 ARG 4 2HG ARG 4 10.036 2.395 -8.113 38 HG3 ARG 4 3HG ARG 4 11.703 2.718 -7.631 39 HD2 ARG 4 2HD ARG 4 11.106 0.042 -8.757 40 HD3 ARG 4 3HD ARG 4 11.074 1.410 -9.869 41 HE ARG 4 HE ARG 4 13.426 1.286 -8.209 42 HH11 ARG 4 1HH1 ARG 4 11.949 0.279 -11.196 43 HH12 ARG 4 2HH1 ARG 4 13.458 0.005 -12.001 44 HH21 ARG 4 1HH2 ARG 4 15.419 0.928 -9.258 45 HH22 ARG 4 2HH2 ARG 4 15.431 0.373 -10.897 46 H VAL 5 H VAL 5 7.558 1.533 -7.975 47 HA VAL 5 HA VAL 5 6.851 -0.968 -9.088 48 HB VAL 5 HB VAL 5 5.616 0.275 -10.756 49 HG11 VAL 5 1HG1 VAL 5 5.517 1.454 -7.989 50 HG12 VAL 5 2HG1 VAL 5 4.324 1.818 -9.237 51 HG13 VAL 5 3HG1 VAL 5 4.519 0.163 -8.657 52 HG21 VAL 5 3HG2 VAL 5 5.769 2.748 -10.854 53 HG22 VAL 5 1HG2 VAL 5 7.153 2.672 -9.764 54 HG23 VAL 5 2HG2 VAL 5 7.250 1.939 -11.365 55 H TYR 6 H TYR 6 7.578 -2.060 -10.836 56 HA TYR 6 HA TYR 6 9.887 -0.910 -12.260 57 HB2 TYR 6 2HB TYR 6 10.037 -3.086 -10.747 58 HB3 TYR 6 3HB TYR 6 9.419 -3.857 -12.204 59 HD1 TYR 6 HD2 TYR 6 10.727 -3.586 -14.357 60 HD2 TYR 6 HD1 TYR 6 12.309 -2.502 -10.559 61 HE1 TYR 6 HE2 TYR 6 13.001 -3.650 -15.292 62 HE2 TYR 6 HE1 TYR 6 14.587 -2.561 -11.484 63 HH TYR 6 HH TYR 6 15.786 -3.607 -13.359 64 H ARG 7 H ARG 7 10.121 -1.414 -14.501 65 HA ARG 7 HA ARG 7 7.728 -1.191 -15.974 66 HB2 ARG 7 2HB ARG 7 10.569 -1.791 -16.780 67 HB3 ARG 7 3HB ARG 7 9.266 -1.669 -17.955 68 HG2 ARG 7 2HG ARG 7 10.242 0.440 -17.965 69 HG3 ARG 7 3HG ARG 7 8.817 0.636 -16.942 70 HD2 ARG 7 2HD ARG 7 10.132 0.550 -14.960 71 HD3 ARG 7 3HD ARG 7 11.562 0.042 -15.858 72 HE ARG 7 HE ARG 7 10.729 2.521 -16.851 73 HH11 ARG 7 1HH1 ARG 7 12.068 1.139 -13.950 74 HH12 ARG 7 2HH1 ARG 7 12.883 2.593 -13.477 75 HH21 ARG 7 1HH2 ARG 7 11.797 4.441 -16.240 76 HH22 ARG 7 2HH2 ARG 7 12.727 4.471 -14.780 77 H GLY 8 H GLY 8 6.265 -2.766 -16.130 78 HA2 GLY 8 2HA GLY 8 6.125 -4.920 -17.556 79 HA3 GLY 8 3HA GLY 8 7.195 -5.551 -16.313 80 H ILE 9 H ILE 9 5.735 -3.827 -14.297 81 HA ILE 9 HA ILE 9 3.237 -5.372 -14.128 82 HB ILE 9 HB ILE 9 4.848 -6.443 -12.648 83 HG12 ILE 9 2HG1 ILE 9 3.577 -6.284 -10.543 84 HG13 ILE 9 3HG1 ILE 9 2.805 -4.811 -11.122 85 HG21 ILE 9 1HG2 ILE 9 5.037 -3.907 -11.057 86 HG22 ILE 9 2HG2 ILE 9 6.043 -5.351 -10.961 87 HG23 ILE 9 3HG2 ILE 9 6.177 -4.275 -12.352 88 HD11 ILE 9 3HD1 ILE 9 1.427 -5.928 -12.540 89 HD12 ILE 9 1HD1 ILE 9 2.569 -7.248 -12.792 90 HD13 ILE 9 2HD1 ILE 9 1.635 -7.163 -11.298 91 H TYR 10 H TYR 10 1.502 -4.158 -13.757 92 HA TYR 10 HA TYR 10 1.780 -1.329 -13.347 93 HB2 TYR 10 2HB TYR 10 -0.731 -3.015 -13.402 94 HB3 TYR 10 3HB TYR 10 -0.649 -1.263 -13.547 95 HD1 TYR 10 HD1 TYR 10 -0.064 -4.453 -15.254 96 HD2 TYR 10 HD2 TYR 10 0.068 -0.215 -15.611 97 HE1 TYR 10 HE1 TYR 10 0.136 -4.671 -17.695 98 HE2 TYR 10 HE2 TYR 10 0.266 -0.422 -18.054 99 HH TYR 10 HH TYR 10 0.663 -1.857 -19.754 100 H ARG 11 H ARG 11 2.239 -0.556 -11.395 101 HA ARG 11 HA ARG 11 0.503 -1.175 -9.171 102 HB2 ARG 11 2HB ARG 11 3.378 -2.019 -9.246 103 HB3 ARG 11 3HB ARG 11 2.648 -1.542 -7.719 104 HG2 ARG 11 2HG ARG 11 0.789 -3.256 -8.470 105 HG3 ARG 11 3HG ARG 11 2.125 -3.920 -9.414 106 HD2 ARG 11 2HD ARG 11 3.299 -4.556 -7.560 107 HD3 ARG 11 3HD ARG 11 2.624 -3.272 -6.559 108 HE ARG 11 HE ARG 11 1.602 -5.921 -6.877 109 HH11 ARG 11 1HH1 ARG 11 0.716 -2.617 -6.233 110 HH12 ARG 11 2HH1 ARG 11 -0.726 -3.035 -5.367 111 HH21 ARG 11 1HH2 ARG 11 -0.293 -6.485 -5.739 112 HH22 ARG 11 2HH2 ARG 11 -1.298 -5.235 -5.087 113 H ARG 12 H ARG 12 1.515 0.052 -7.125 114 HA ARG 12 HA ARG 12 2.642 2.614 -7.999 115 HB2 ARG 12 2HB ARG 12 0.101 2.699 -7.828 116 HB3 ARG 12 3HB ARG 12 0.308 2.472 -6.097 117 HG2 ARG 12 2HG ARG 12 0.149 4.753 -6.241 118 HG3 ARG 12 3HG ARG 12 1.899 4.527 -6.303 119 HD2 ARG 12 2HD ARG 12 1.667 4.524 -8.826 120 HD3 ARG 12 3HD ARG 12 0.014 5.084 -8.580 121 HE ARG 12 HE ARG 12 0.830 7.160 -8.066 122 HH11 ARG 12 1HH1 ARG 12 3.427 4.845 -7.936 123 HH12 ARG 12 2HH1 ARG 12 4.662 6.045 -7.746 124 HH21 ARG 12 1HH2 ARG 12 2.447 8.750 -7.816 125 HH22 ARG 12 2HH2 ARG 12 4.103 8.266 -7.676 126 H ARG 13 H ARG 13 4.047 3.527 -6.583 127 HA ARG 13 HA ARG 13 5.280 1.988 -4.631 128 HB2 ARG 13 2HB ARG 13 5.314 4.868 -5.368 129 HB3 ARG 13 3HB ARG 13 5.980 4.433 -3.800 130 HG2 ARG 13 2HG ARG 13 7.364 2.701 -5.079 131 HG3 ARG 13 3HG ARG 13 6.904 3.604 -6.524 132 HD2 ARG 13 2HD ARG 13 9.056 4.365 -5.700 133 HD3 ARG 13 3HD ARG 13 7.850 5.641 -5.537 134 HE ARG 13 HE ARG 13 8.037 4.126 -3.150 135 HH11 ARG 13 1HH1 ARG 13 9.700 6.559 -5.005 136 HH12 ARG 13 2HH1 ARG 13 10.478 7.264 -3.626 137 HH21 ARG 13 1HH2 ARG 13 9.055 5.046 -1.328 138 HH22 ARG 13 2HH2 ARG 13 10.110 6.402 -1.535 Start of MODEL 14 1 H1 LYS 1 H LYS 1 0.235 -0.062 -0.210 2 HA LYS 1 HA LYS 1 1.472 1.133 -2.580 3 HB2 LYS 1 2HB LYS 1 3.193 2.224 -1.203 4 HB3 LYS 1 3HB LYS 1 1.588 2.859 -0.863 5 HG2 LYS 1 2HG LYS 1 1.476 1.420 1.136 6 HG3 LYS 1 3HG LYS 1 3.125 0.882 0.810 7 HD2 LYS 1 2HD LYS 1 3.887 3.225 0.983 8 HD3 LYS 1 3HD LYS 1 2.240 3.708 1.394 9 HE2 LYS 1 2HE LYS 1 3.303 3.514 3.462 10 HE3 LYS 1 3HE LYS 1 2.422 1.996 3.294 11 HZ1 LYS 1 3HZ LYS 1 5.102 2.289 3.806 12 HZ2 LYS 1 1HZ LYS 1 5.035 1.805 2.186 13 HZ3 LYS 1 2HZ LYS 1 4.307 0.857 3.383 14 H TRP 2 H TRP 2 3.092 -0.057 -3.399 15 HA TRP 2 HA TRP 2 4.128 -2.268 -1.748 16 HB2 TRP 2 2HB TRP 2 3.753 -3.757 -3.402 17 HB3 TRP 2 3HB TRP 2 2.626 -2.549 -4.014 18 HD1 TRP 2 HD1 TRP 2 3.803 -0.761 -5.871 19 HE1 TRP 2 HE1 TRP 2 5.434 -1.338 -7.777 20 HE3 TRP 2 HE3 TRP 2 5.495 -5.270 -4.155 21 HZ2 TRP 2 HZ2 TRP 2 7.203 -3.429 -8.463 22 HZ3 TRP 2 HZ3 TRP 2 7.155 -6.495 -5.496 23 HH2 TRP 2 HH2 TRP 2 7.990 -5.592 -7.605 24 H PHE 3 H PHE 3 6.210 -3.180 -3.004 25 HA PHE 3 HA PHE 3 8.253 -1.358 -2.579 26 HB2 PHE 3 2HB PHE 3 8.009 -4.047 -3.623 27 HB3 PHE 3 3HB PHE 3 9.249 -3.147 -4.489 28 HD1 PHE 3 HD1 PHE 3 10.655 -1.583 -2.687 29 HD2 PHE 3 HD2 PHE 3 8.843 -5.365 -1.955 30 HE1 PHE 3 HE1 PHE 3 12.233 -1.979 -0.840 31 HE2 PHE 3 HE2 PHE 3 10.417 -5.765 -0.107 32 HZ PHE 3 HZ PHE 3 12.115 -4.071 0.453 33 H ARG 4 H ARG 4 9.965 -1.019 -4.500 34 HA ARG 4 HA ARG 4 8.993 1.055 -6.067 35 HB2 ARG 4 2HB ARG 4 11.444 -0.672 -6.273 36 HB3 ARG 4 3HB ARG 4 11.116 0.574 -7.470 37 HG2 ARG 4 2HG ARG 4 10.871 2.121 -5.389 38 HG3 ARG 4 3HG ARG 4 11.800 0.855 -4.582 39 HD2 ARG 4 2HD ARG 4 13.565 1.075 -6.247 40 HD3 ARG 4 3HD ARG 4 12.629 2.306 -7.094 41 HE ARG 4 HE ARG 4 13.054 3.043 -4.389 42 HH11 ARG 4 1HH1 ARG 4 14.657 2.821 -7.472 43 HH12 ARG 4 2HH1 ARG 4 15.790 4.084 -7.120 44 HH21 ARG 4 1HH2 ARG 4 14.540 4.707 -3.914 45 HH22 ARG 4 2HH2 ARG 4 15.723 5.155 -5.096 46 H VAL 5 H VAL 5 7.870 1.155 -7.900 47 HA VAL 5 HA VAL 5 6.850 -1.184 -9.138 48 HB VAL 5 HB VAL 5 5.774 0.293 -10.723 49 HG11 VAL 5 1HG1 VAL 5 5.808 1.258 -7.876 50 HG12 VAL 5 2HG1 VAL 5 4.704 1.916 -9.085 51 HG13 VAL 5 3HG1 VAL 5 4.634 0.204 -8.664 52 HG21 VAL 5 3HG2 VAL 5 6.306 2.853 -10.242 53 HG22 VAL 5 1HG2 VAL 5 7.883 2.179 -9.832 54 HG23 VAL 5 2HG2 VAL 5 7.202 1.917 -11.438 55 H TYR 6 H TYR 6 7.397 -2.206 -11.004 56 HA TYR 6 HA TYR 6 9.839 -1.264 -12.359 57 HB2 TYR 6 2HB TYR 6 9.792 -3.506 -10.973 58 HB3 TYR 6 3HB TYR 6 9.023 -4.141 -12.423 59 HD1 TYR 6 HD2 TYR 6 11.889 -1.823 -11.767 60 HD2 TYR 6 HD1 TYR 6 10.495 -5.330 -13.731 61 HE1 TYR 6 HE2 TYR 6 14.100 -2.114 -12.804 62 HE2 TYR 6 HE1 TYR 6 12.703 -5.632 -14.772 63 HH TYR 6 HH TYR 6 15.112 -4.929 -14.216 64 H ARG 7 H ARG 7 10.033 -1.908 -14.639 65 HA ARG 7 HA ARG 7 7.665 -1.255 -16.078 66 HB2 ARG 7 2HB ARG 7 10.421 -2.129 -16.928 67 HB3 ARG 7 3HB ARG 7 9.137 -1.821 -18.090 68 HG2 ARG 7 2HG ARG 7 10.339 0.169 -18.020 69 HG3 ARG 7 3HG ARG 7 8.941 0.477 -16.988 70 HD2 ARG 7 2HD ARG 7 10.203 0.308 -15.029 71 HD3 ARG 7 3HD ARG 7 11.524 -0.527 -15.845 72 HE ARG 7 HE ARG 7 11.124 2.114 -16.854 73 HH11 ARG 7 1HH1 ARG 7 12.561 0.278 -14.269 74 HH12 ARG 7 2HH1 ARG 7 13.768 1.470 -13.918 75 HH21 ARG 7 1HH2 ARG 7 12.709 3.691 -16.402 76 HH22 ARG 7 2HH2 ARG 7 13.851 3.411 -15.131 77 H GLY 8 H GLY 8 6.035 -2.645 -16.304 78 HA2 GLY 8 2HA GLY 8 5.654 -4.708 -17.817 79 HA3 GLY 8 3HA GLY 8 6.644 -5.507 -16.604 80 H ILE 9 H ILE 9 5.378 -3.704 -14.521 81 HA ILE 9 HA ILE 9 2.720 -4.958 -14.409 82 HB ILE 9 HB ILE 9 4.190 -6.283 -12.990 83 HG12 ILE 9 2HG1 ILE 9 2.648 -4.657 -11.016 84 HG13 ILE 9 3HG1 ILE 9 1.766 -5.445 -12.319 85 HG21 ILE 9 1HG2 ILE 9 4.678 -3.867 -11.281 86 HG22 ILE 9 2HG2 ILE 9 5.504 -5.424 -11.256 87 HG23 ILE 9 3HG2 ILE 9 5.768 -4.307 -12.595 88 HD11 ILE 9 3HD1 ILE 9 1.957 -6.698 -10.131 89 HD12 ILE 9 1HD1 ILE 9 2.395 -7.582 -11.593 90 HD13 ILE 9 2HD1 ILE 9 3.655 -6.942 -10.538 91 H TYR 10 H TYR 10 1.142 -3.566 -13.971 92 HA TYR 10 HA TYR 10 1.743 -0.813 -13.446 93 HB2 TYR 10 2HB TYR 10 -0.866 -2.316 -13.691 94 HB3 TYR 10 3HB TYR 10 -0.770 -0.579 -13.421 95 HD1 TYR 10 HD1 TYR 10 -0.216 -3.284 -15.833 96 HD2 TYR 10 HD2 TYR 10 -0.058 0.918 -15.187 97 HE1 TYR 10 HE1 TYR 10 -0.031 -2.925 -18.259 98 HE2 TYR 10 HE2 TYR 10 0.126 1.290 -17.611 99 HH TYR 10 HH TYR 10 -0.077 0.316 -19.644 100 H ARG 11 H ARG 11 2.319 -0.171 -11.478 101 HA ARG 11 HA ARG 11 0.564 -0.673 -9.241 102 HB2 ARG 11 2HB ARG 11 3.339 -1.811 -9.381 103 HB3 ARG 11 3HB ARG 11 2.631 -1.369 -7.833 104 HG2 ARG 11 2HG ARG 11 0.698 -2.866 -8.405 105 HG3 ARG 11 3HG ARG 11 1.641 -3.426 -9.786 106 HD2 ARG 11 2HD ARG 11 3.193 -4.496 -8.465 107 HD3 ARG 11 3HD ARG 11 2.881 -3.455 -7.076 108 HE ARG 11 HE ARG 11 1.627 -5.931 -7.650 109 HH11 ARG 11 1HH1 ARG 11 1.006 -2.768 -6.336 110 HH12 ARG 11 2HH1 ARG 11 -0.291 -3.302 -5.319 111 HH21 ARG 11 1HH2 ARG 11 -0.079 -6.647 -6.316 112 HH22 ARG 11 2HH2 ARG 11 -0.907 -5.509 -5.308 113 H ARG 12 H ARG 12 1.737 0.349 -7.175 114 HA ARG 12 HA ARG 12 3.155 2.788 -7.973 115 HB2 ARG 12 2HB ARG 12 0.564 3.032 -7.666 116 HB3 ARG 12 3HB ARG 12 0.954 2.976 -5.952 117 HG2 ARG 12 2HG ARG 12 2.529 4.876 -6.328 118 HG3 ARG 12 3HG ARG 12 1.906 4.986 -7.975 119 HD2 ARG 12 2HD ARG 12 0.237 5.209 -5.473 120 HD3 ARG 12 3HD ARG 12 0.827 6.576 -6.418 121 HE ARG 12 HE ARG 12 -1.424 4.930 -7.009 122 HH11 ARG 12 1HH1 ARG 12 1.128 6.805 -8.456 123 HH12 ARG 12 2HH1 ARG 12 0.247 7.120 -9.914 124 HH21 ARG 12 1HH2 ARG 12 -2.594 5.338 -8.924 125 HH22 ARG 12 2HH2 ARG 12 -1.870 6.286 -10.179 126 H ARG 13 H ARG 13 4.674 3.472 -6.546 127 HA ARG 13 HA ARG 13 5.705 1.714 -4.649 128 HB2 ARG 13 2HB ARG 13 6.108 4.706 -4.632 129 HB3 ARG 13 3HB ARG 13 7.202 3.476 -4.014 130 HG2 ARG 13 2HG ARG 13 7.156 2.650 -6.510 131 HG3 ARG 13 3HG ARG 13 6.683 4.323 -6.814 132 HD2 ARG 13 2HD ARG 13 8.836 4.371 -4.982 133 HD3 ARG 13 3HD ARG 13 9.275 3.258 -6.276 134 HE ARG 13 HE ARG 13 9.460 5.042 -7.693 135 HH11 ARG 13 1HH1 ARG 13 7.658 6.014 -4.877 136 HH12 ARG 13 2HH1 ARG 13 7.626 7.690 -5.316 137 HH21 ARG 13 1HH2 ARG 13 9.424 7.246 -8.282 138 HH22 ARG 13 2HH2 ARG 13 8.630 8.389 -7.253 Start of MODEL 15 1 H1 LYS 1 H LYS 1 0.921 0.001 0.233 2 HA LYS 1 HA LYS 1 1.303 0.465 -2.607 3 HB2 LYS 1 2HB LYS 1 2.576 2.140 -0.465 4 HB3 LYS 1 3HB LYS 1 3.409 1.860 -1.989 5 HG2 LYS 1 2HG LYS 1 1.897 3.089 -3.202 6 HG3 LYS 1 3HG LYS 1 0.597 2.842 -2.034 7 HD2 LYS 1 2HD LYS 1 3.002 4.367 -1.170 8 HD3 LYS 1 3HD LYS 1 1.848 5.161 -2.244 9 HE2 LYS 1 2HE LYS 1 0.948 5.730 -0.225 10 HE3 LYS 1 3HE LYS 1 0.109 4.205 -0.503 11 HZ1 LYS 1 3HZ LYS 1 1.267 3.164 1.121 12 HZ2 LYS 1 1HZ LYS 1 1.366 4.734 1.745 13 HZ3 LYS 1 2HZ LYS 1 2.670 4.080 0.888 14 H TRP 2 H TRP 2 3.210 -0.485 -3.438 15 HA TRP 2 HA TRP 2 4.457 -2.417 -1.597 16 HB2 TRP 2 2HB TRP 2 4.258 -4.034 -3.159 17 HB3 TRP 2 3HB TRP 2 3.050 -2.970 -3.874 18 HD1 TRP 2 HD1 TRP 2 4.124 -1.207 -5.816 19 HE1 TRP 2 HE1 TRP 2 5.852 -1.759 -7.642 20 HE3 TRP 2 HE3 TRP 2 6.143 -5.435 -3.771 21 HZ2 TRP 2 HZ2 TRP 2 7.811 -3.728 -8.149 22 HZ3 TRP 2 HZ3 TRP 2 7.939 -6.593 -4.990 23 HH2 TRP 2 HH2 TRP 2 8.754 -5.756 -7.134 24 H PHE 3 H PHE 3 6.644 -3.222 -2.742 25 HA PHE 3 HA PHE 3 8.512 -1.206 -2.389 26 HB2 PHE 3 2HB PHE 3 8.527 -3.968 -3.261 27 HB3 PHE 3 3HB PHE 3 9.711 -3.020 -4.156 28 HD1 PHE 3 HD1 PHE 3 10.913 -1.221 -2.415 29 HD2 PHE 3 HD2 PHE 3 9.437 -5.108 -1.504 30 HE1 PHE 3 HE1 PHE 3 12.465 -1.360 -0.512 31 HE2 PHE 3 HE2 PHE 3 10.986 -5.253 0.402 32 HZ PHE 3 HZ PHE 3 12.502 -3.377 0.901 33 H ARG 4 H ARG 4 10.243 -0.842 -4.288 34 HA ARG 4 HA ARG 4 9.144 1.037 -6.009 35 HB2 ARG 4 2HB ARG 4 11.703 -0.532 -6.383 36 HB3 ARG 4 3HB ARG 4 11.292 0.968 -7.204 37 HG2 ARG 4 2HG ARG 4 11.070 1.924 -4.803 38 HG3 ARG 4 3HG ARG 4 12.035 0.518 -4.349 39 HD2 ARG 4 2HD ARG 4 12.843 2.435 -6.524 40 HD3 ARG 4 3HD ARG 4 13.319 2.639 -4.839 41 HE ARG 4 HE ARG 4 14.434 0.813 -6.724 42 HH11 ARG 4 1HH1 ARG 4 13.722 1.268 -3.347 43 HH12 ARG 4 2HH1 ARG 4 14.977 0.203 -2.805 44 HH21 ARG 4 1HH2 ARG 4 16.090 -0.590 -6.023 45 HH22 ARG 4 2HH2 ARG 4 16.324 -0.852 -4.328 46 H VAL 5 H VAL 5 8.056 0.920 -7.860 47 HA VAL 5 HA VAL 5 7.280 -1.571 -8.969 48 HB VAL 5 HB VAL 5 6.119 -0.297 -10.665 49 HG11 VAL 5 1HG1 VAL 5 5.999 0.836 -7.885 50 HG12 VAL 5 2HG1 VAL 5 4.877 1.332 -9.154 51 HG13 VAL 5 3HG1 VAL 5 4.935 -0.353 -8.634 52 HG21 VAL 5 3HG2 VAL 5 6.563 2.377 -10.074 53 HG22 VAL 5 1HG2 VAL 5 8.174 1.659 -10.086 54 HG23 VAL 5 2HG2 VAL 5 7.130 1.507 -11.499 55 H TYR 6 H TYR 6 7.395 -1.708 -11.532 56 HA TYR 6 HA TYR 6 9.940 -0.929 -12.640 57 HB2 TYR 6 2HB TYR 6 9.407 -3.725 -11.727 58 HB3 TYR 6 3HB TYR 6 10.345 -3.479 -13.196 59 HD1 TYR 6 HD1 TYR 6 12.408 -1.955 -13.031 60 HD2 TYR 6 HD2 TYR 6 10.438 -3.597 -9.636 61 HE1 TYR 6 HE1 TYR 6 14.430 -1.577 -11.682 62 HE2 TYR 6 HE2 TYR 6 12.454 -3.222 -8.278 63 HH TYR 6 HH TYR 6 15.433 -1.965 -9.719 64 H ARG 7 H ARG 7 10.186 -1.739 -14.903 65 HA ARG 7 HA ARG 7 7.758 -1.326 -16.332 66 HB2 ARG 7 2HB ARG 7 10.451 -2.257 -17.345 67 HB3 ARG 7 3HB ARG 7 9.127 -1.669 -18.342 68 HG2 ARG 7 2HG ARG 7 10.577 -0.056 -16.253 69 HG3 ARG 7 3HG ARG 7 10.867 0.021 -17.992 70 HD2 ARG 7 2HD ARG 7 8.313 0.510 -18.118 71 HD3 ARG 7 3HD ARG 7 8.498 0.944 -16.419 72 HE ARG 7 HE ARG 7 10.477 2.269 -17.883 73 HH11 ARG 7 1HH1 ARG 7 7.014 2.252 -17.523 74 HH12 ARG 7 2HH1 ARG 7 6.832 3.925 -17.936 75 HH21 ARG 7 1HH2 ARG 7 10.251 4.472 -18.429 76 HH22 ARG 7 2HH2 ARG 7 8.674 5.186 -18.452 77 H GLY 8 H GLY 8 6.219 -2.828 -16.444 78 HA2 GLY 8 2HA GLY 8 5.944 -4.995 -17.825 79 HA3 GLY 8 3HA GLY 8 7.010 -5.658 -16.595 80 H ILE 9 H ILE 9 5.685 -3.844 -14.571 81 HA ILE 9 HA ILE 9 3.096 -5.215 -14.343 82 HB ILE 9 HB ILE 9 4.661 -6.450 -12.941 83 HG12 ILE 9 2HG1 ILE 9 3.473 -6.209 -10.775 84 HG13 ILE 9 3HG1 ILE 9 2.760 -4.709 -11.355 85 HG21 ILE 9 1HG2 ILE 9 5.088 -3.986 -11.286 86 HG22 ILE 9 2HG2 ILE 9 5.986 -5.503 -11.267 87 HG23 ILE 9 3HG2 ILE 9 6.158 -4.394 -12.627 88 HD11 ILE 9 3HD1 ILE 9 2.371 -7.368 -12.699 89 HD12 ILE 9 1HD1 ILE 9 1.276 -6.705 -11.486 90 HD13 ILE 9 2HD1 ILE 9 1.512 -5.862 -13.018 91 H TYR 10 H TYR 10 1.475 -3.882 -13.870 92 HA TYR 10 HA TYR 10 2.003 -1.095 -13.394 93 HB2 TYR 10 2HB TYR 10 -0.525 -2.707 -13.711 94 HB3 TYR 10 3HB TYR 10 -0.553 -0.993 -13.310 95 HD1 TYR 10 HD1 TYR 10 0.421 -3.449 -15.891 96 HD2 TYR 10 HD2 TYR 10 -0.148 0.665 -14.970 97 HE1 TYR 10 HE1 TYR 10 0.599 -2.895 -18.281 98 HE2 TYR 10 HE2 TYR 10 0.027 1.230 -17.357 99 HH TYR 10 HH TYR 10 0.733 -1.253 -19.786 100 H ARG 11 H ARG 11 2.552 -0.420 -11.430 101 HA ARG 11 HA ARG 11 0.813 -0.968 -9.191 102 HB2 ARG 11 2HB ARG 11 3.629 -2.006 -9.319 103 HB3 ARG 11 3HB ARG 11 2.898 -1.587 -7.776 104 HG2 ARG 11 2HG ARG 11 0.960 -3.138 -8.655 105 HG3 ARG 11 3HG ARG 11 2.263 -3.811 -9.638 106 HD2 ARG 11 2HD ARG 11 3.390 -4.634 -7.825 107 HD3 ARG 11 3HD ARG 11 2.764 -3.396 -6.738 108 HE ARG 11 HE ARG 11 1.658 -5.967 -7.193 109 HH11 ARG 11 1HH1 ARG 11 0.781 -2.656 -6.573 110 HH12 ARG 11 2HH1 ARG 11 -0.725 -3.060 -5.817 111 HH21 ARG 11 1HH2 ARG 11 -0.323 -6.512 -6.201 112 HH22 ARG 11 2HH2 ARG 11 -1.351 -5.253 -5.606 113 H ARG 12 H ARG 12 1.958 0.103 -7.130 114 HA ARG 12 HA ARG 12 3.187 2.635 -7.983 115 HB2 ARG 12 2HB ARG 12 0.614 2.618 -7.367 116 HB3 ARG 12 3HB ARG 12 1.236 2.644 -5.723 117 HG2 ARG 12 2HG ARG 12 2.664 4.641 -6.582 118 HG3 ARG 12 3HG ARG 12 1.449 4.712 -7.860 119 HD2 ARG 12 2HD ARG 12 0.529 4.523 -5.037 120 HD3 ARG 12 3HD ARG 12 1.174 6.062 -5.605 121 HE ARG 12 HE ARG 12 -0.754 5.039 -7.417 122 HH11 ARG 12 1HH1 ARG 12 -0.427 6.610 -4.327 123 HH12 ARG 12 2HH1 ARG 12 -1.982 7.368 -4.402 124 HH21 ARG 12 1HH2 ARG 12 -2.804 6.032 -7.527 125 HH22 ARG 12 2HH2 ARG 12 -3.334 7.039 -6.222 126 H ARG 13 H ARG 13 4.919 3.218 -6.831 127 HA ARG 13 HA ARG 13 5.684 1.557 -4.563 128 HB2 ARG 13 2HB ARG 13 7.890 2.435 -4.843 129 HB3 ARG 13 3HB ARG 13 7.273 2.043 -6.442 130 HG2 ARG 13 2HG ARG 13 6.784 4.382 -6.855 131 HG3 ARG 13 3HG ARG 13 7.326 4.798 -5.228 132 HD2 ARG 13 2HD ARG 13 9.540 3.659 -5.940 133 HD3 ARG 13 3HD ARG 13 8.932 3.877 -7.581 134 HE ARG 13 HE ARG 13 8.810 6.292 -6.073 135 HH11 ARG 13 1HH1 ARG 13 10.957 4.218 -7.865 136 HH12 ARG 13 2HH1 ARG 13 12.057 5.492 -8.273 137 HH21 ARG 13 1HH2 ARG 13 10.251 7.978 -6.605 138 HH22 ARG 13 2HH2 ARG 13 11.656 7.630 -7.555 Start of MODEL 16 1 H1 LYS 1 H LYS 1 0.148 -0.163 -0.445 2 HA LYS 1 HA LYS 1 1.512 1.087 -2.727 3 HB2 LYS 1 2HB LYS 1 2.250 1.664 0.141 4 HB3 LYS 1 3HB LYS 1 2.866 2.450 -1.307 5 HG2 LYS 1 2HG LYS 1 0.701 3.461 -1.713 6 HG3 LYS 1 3HG LYS 1 0.027 2.621 -0.314 7 HD2 LYS 1 2HD LYS 1 0.492 4.700 0.572 8 HD3 LYS 1 3HD LYS 1 1.961 3.808 0.975 9 HE2 LYS 1 2HE LYS 1 3.039 4.730 -1.039 10 HE3 LYS 1 3HE LYS 1 1.579 5.658 -1.379 11 HZ1 LYS 1 3HZ LYS 1 2.624 7.237 -0.208 12 HZ2 LYS 1 1HZ LYS 1 3.669 6.149 0.558 13 HZ3 LYS 1 2HZ LYS 1 2.100 6.373 1.149 14 H TRP 2 H TRP 2 3.095 -0.150 -3.476 15 HA TRP 2 HA TRP 2 4.302 -2.130 -1.658 16 HB2 TRP 2 2HB TRP 2 4.102 -3.738 -3.231 17 HB3 TRP 2 3HB TRP 2 2.896 -2.667 -3.940 18 HD1 TRP 2 HD1 TRP 2 3.974 -0.893 -5.870 19 HE1 TRP 2 HE1 TRP 2 5.702 -1.436 -7.698 20 HE3 TRP 2 HE3 TRP 2 5.985 -5.137 -3.850 21 HZ2 TRP 2 HZ2 TRP 2 7.659 -3.404 -8.216 22 HZ3 TRP 2 HZ3 TRP 2 7.780 -6.290 -5.075 23 HH2 TRP 2 HH2 TRP 2 8.598 -5.440 -7.213 24 H PHE 3 H PHE 3 6.489 -2.931 -2.806 25 HA PHE 3 HA PHE 3 8.359 -0.921 -2.440 26 HB2 PHE 3 2HB PHE 3 8.371 -3.676 -3.329 27 HB3 PHE 3 3HB PHE 3 9.557 -2.724 -4.216 28 HD1 PHE 3 HD1 PHE 3 10.767 -0.942 -2.470 29 HD2 PHE 3 HD2 PHE 3 9.271 -4.825 -1.572 30 HE1 PHE 3 HE1 PHE 3 12.317 -1.096 -0.566 31 HE2 PHE 3 HE2 PHE 3 10.818 -4.984 0.334 32 HZ PHE 3 HZ PHE 3 12.343 -3.118 0.840 33 H ARG 4 H ARG 4 10.091 -0.547 -4.335 34 HA ARG 4 HA ARG 4 8.997 1.345 -6.044 35 HB2 ARG 4 2HB ARG 4 11.450 0.973 -5.375 36 HB3 ARG 4 3HB ARG 4 11.508 -0.179 -6.703 37 HG2 ARG 4 2HG ARG 4 11.352 1.444 -8.304 38 HG3 ARG 4 3HG ARG 4 10.483 2.558 -7.246 39 HD2 ARG 4 2HD ARG 4 12.447 3.184 -6.117 40 HD3 ARG 4 3HD ARG 4 13.350 1.812 -6.756 41 HE ARG 4 HE ARG 4 12.919 4.346 -8.032 42 HH11 ARG 4 1HH1 ARG 4 13.578 0.967 -8.551 43 HH12 ARG 4 2HH1 ARG 4 14.328 1.216 -10.093 44 HH21 ARG 4 1HH2 ARG 4 13.904 4.686 -10.061 45 HH22 ARG 4 2HH2 ARG 4 14.513 3.332 -10.951 46 H VAL 5 H VAL 5 7.942 1.255 -7.920 47 HA VAL 5 HA VAL 5 7.156 -1.235 -9.040 48 HB VAL 5 HB VAL 5 5.995 0.053 -10.727 49 HG11 VAL 5 1HG1 VAL 5 5.867 1.152 -7.935 50 HG12 VAL 5 2HG1 VAL 5 4.749 1.665 -9.200 51 HG13 VAL 5 3HG1 VAL 5 4.804 -0.027 -8.703 52 HG21 VAL 5 3HG2 VAL 5 6.249 2.642 -10.484 53 HG22 VAL 5 1HG2 VAL 5 7.831 2.227 -9.825 54 HG23 VAL 5 2HG2 VAL 5 7.398 1.729 -11.461 55 H TYR 6 H TYR 6 7.493 -1.912 -11.264 56 HA TYR 6 HA TYR 6 9.969 -0.936 -12.493 57 HB2 TYR 6 2HB TYR 6 10.326 -3.016 -11.017 58 HB3 TYR 6 3HB TYR 6 9.435 -3.890 -12.258 59 HD1 TYR 6 HD1 TYR 6 12.440 -1.776 -11.706 60 HD2 TYR 6 HD2 TYR 6 10.514 -4.627 -14.208 61 HE1 TYR 6 HE1 TYR 6 14.512 -2.024 -13.008 62 HE2 TYR 6 HE2 TYR 6 12.581 -4.884 -15.516 63 HH TYR 6 HH TYR 6 14.608 -3.809 -15.985 64 H ARG 7 H ARG 7 10.245 -1.759 -14.734 65 HA ARG 7 HA ARG 7 7.831 -1.404 -16.203 66 HB2 ARG 7 2HB ARG 7 10.653 -2.101 -16.993 67 HB3 ARG 7 3HB ARG 7 9.353 -2.014 -18.174 68 HG2 ARG 7 2HG ARG 7 10.362 0.077 -18.280 69 HG3 ARG 7 3HG ARG 7 8.938 0.342 -17.272 70 HD2 ARG 7 2HD ARG 7 10.230 0.376 -15.292 71 HD3 ARG 7 3HD ARG 7 11.647 -0.269 -16.120 72 HE ARG 7 HE ARG 7 11.144 2.088 -17.390 73 HH11 ARG 7 1HH1 ARG 7 11.671 1.155 -14.078 74 HH12 ARG 7 2HH1 ARG 7 12.386 2.668 -13.629 75 HH21 ARG 7 1HH2 ARG 7 12.084 4.084 -16.812 76 HH22 ARG 7 2HH2 ARG 7 12.619 4.334 -15.185 77 H GLY 8 H GLY 8 6.318 -2.927 -16.345 78 HA2 GLY 8 2HA GLY 8 6.108 -5.122 -17.691 79 HA3 GLY 8 3HA GLY 8 7.151 -5.748 -16.423 80 H ILE 9 H ILE 9 5.700 -3.852 -14.516 81 HA ILE 9 HA ILE 9 3.138 -5.268 -14.317 82 HB ILE 9 HB ILE 9 4.672 -6.477 -12.858 83 HG12 ILE 9 2HG1 ILE 9 3.427 -6.193 -10.715 84 HG13 ILE 9 3HG1 ILE 9 2.695 -4.733 -11.372 85 HG21 ILE 9 1HG2 ILE 9 5.033 -3.998 -11.212 86 HG22 ILE 9 2HG2 ILE 9 5.948 -5.504 -11.164 87 HG23 ILE 9 3HG2 ILE 9 6.140 -4.398 -12.524 88 HD11 ILE 9 3HD1 ILE 9 1.389 -5.907 -12.866 89 HD12 ILE 9 1HD1 ILE 9 2.435 -7.326 -12.827 90 HD13 ILE 9 2HD1 ILE 9 1.394 -6.959 -11.451 91 H TYR 10 H TYR 10 1.497 -3.940 -13.901 92 HA TYR 10 HA TYR 10 1.989 -1.143 -13.463 93 HB2 TYR 10 2HB TYR 10 -0.615 -2.680 -13.573 94 HB3 TYR 10 3HB TYR 10 -0.465 -0.926 -13.583 95 HD1 TYR 10 HD1 TYR 10 0.028 -3.999 -15.531 96 HD2 TYR 10 HD2 TYR 10 0.245 0.250 -15.569 97 HE1 TYR 10 HE1 TYR 10 0.209 -4.037 -17.983 98 HE2 TYR 10 HE2 TYR 10 0.425 0.224 -18.022 99 HH TYR 10 HH TYR 10 0.114 -1.091 -19.878 100 H ARG 11 H ARG 11 2.501 -0.415 -11.510 101 HA ARG 11 HA ARG 11 0.749 -0.948 -9.276 102 HB2 ARG 11 2HB ARG 11 3.589 -1.925 -9.353 103 HB3 ARG 11 3HB ARG 11 2.829 -1.493 -7.827 104 HG2 ARG 11 2HG ARG 11 0.937 -3.107 -8.744 105 HG3 ARG 11 3HG ARG 11 2.305 -3.783 -9.629 106 HD2 ARG 11 2HD ARG 11 3.349 -4.514 -7.731 107 HD3 ARG 11 3HD ARG 11 2.650 -3.243 -6.729 108 HE ARG 11 HE ARG 11 1.574 -5.849 -7.200 109 HH11 ARG 11 1HH1 ARG 11 0.746 -2.542 -6.493 110 HH12 ARG 11 2HH1 ARG 11 -0.756 -2.944 -5.730 111 HH21 ARG 11 1HH2 ARG 11 -0.402 -6.391 -6.198 112 HH22 ARG 11 2HH2 ARG 11 -1.408 -5.134 -5.562 113 H ARG 12 H ARG 12 1.839 0.195 -7.229 114 HA ARG 12 HA ARG 12 3.161 2.670 -8.066 115 HB2 ARG 12 2HB ARG 12 0.841 3.283 -8.086 116 HB3 ARG 12 3HB ARG 12 0.567 2.507 -6.531 117 HG2 ARG 12 2HG ARG 12 1.628 4.198 -5.355 118 HG3 ARG 12 3HG ARG 12 2.507 4.768 -6.775 119 HD2 ARG 12 2HD ARG 12 0.884 6.203 -7.272 120 HD3 ARG 12 3HD ARG 12 -0.325 4.921 -7.229 121 HE ARG 12 HE ARG 12 0.222 6.850 -5.180 122 HH11 ARG 12 1HH1 ARG 12 -1.003 3.656 -5.826 123 HH12 ARG 12 2HH1 ARG 12 -1.984 3.602 -4.399 124 HH21 ARG 12 1HH2 ARG 12 -1.066 6.791 -3.299 125 HH22 ARG 12 2HH2 ARG 12 -2.020 5.387 -2.963 126 H ARG 13 H ARG 13 4.533 3.532 -6.566 127 HA ARG 13 HA ARG 13 5.594 1.886 -4.584 128 HB2 ARG 13 2HB ARG 13 5.875 4.751 -5.323 129 HB3 ARG 13 3HB ARG 13 6.445 4.275 -3.729 130 HG2 ARG 13 2HG ARG 13 7.783 2.470 -4.892 131 HG3 ARG 13 3HG ARG 13 7.385 3.289 -6.404 132 HD2 ARG 13 2HD ARG 13 9.561 4.004 -5.581 133 HD3 ARG 13 3HD ARG 13 8.413 5.342 -5.560 134 HE ARG 13 HE ARG 13 8.572 5.406 -3.271 135 HH11 ARG 13 1HH1 ARG 13 10.002 2.461 -4.454 136 HH12 ARG 13 2HH1 ARG 13 10.682 2.022 -2.922 137 HH21 ARG 13 1HH2 ARG 13 9.462 4.839 -1.249 138 HH22 ARG 13 2HH2 ARG 13 10.374 3.375 -1.099 Start of MODEL 17 1 H1 LYS 1 H LYS 1 0.286 0.173 -0.657 2 HA LYS 1 HA LYS 1 1.554 1.508 -2.851 3 HB2 LYS 1 2HB LYS 1 3.168 2.767 -1.349 4 HB3 LYS 1 3HB LYS 1 1.545 3.435 -1.475 5 HG2 LYS 1 2HG LYS 1 2.110 1.547 0.746 6 HG3 LYS 1 3HG LYS 1 2.771 3.181 0.844 7 HD2 LYS 1 2HD LYS 1 0.310 3.851 0.176 8 HD3 LYS 1 3HD LYS 1 -0.066 2.269 0.862 9 HE2 LYS 1 2HE LYS 1 -0.292 3.868 2.609 10 HE3 LYS 1 3HE LYS 1 1.190 2.965 2.916 11 HZ1 LYS 1 3HZ LYS 1 1.118 5.576 3.033 12 HZ2 LYS 1 1HZ LYS 1 1.400 5.438 1.371 13 HZ3 LYS 1 2HZ LYS 1 2.488 4.757 2.472 14 H TRP 2 H TRP 2 3.226 0.312 -3.504 15 HA TRP 2 HA TRP 2 4.414 -1.570 -1.571 16 HB2 TRP 2 2HB TRP 2 4.211 -3.275 -3.037 17 HB3 TRP 2 3HB TRP 2 3.004 -2.252 -3.811 18 HD1 TRP 2 HD1 TRP 2 4.079 -0.605 -5.853 19 HE1 TRP 2 HE1 TRP 2 5.805 -1.264 -7.645 20 HE3 TRP 2 HE3 TRP 2 6.093 -4.711 -3.569 21 HZ2 TRP 2 HZ2 TRP 2 7.760 -3.261 -8.039 22 HZ3 TRP 2 HZ3 TRP 2 7.887 -5.940 -4.720 23 HH2 TRP 2 HH2 TRP 2 8.701 -5.229 -6.909 24 H PHE 3 H PHE 3 6.599 -2.443 -2.669 25 HA PHE 3 HA PHE 3 8.470 -0.414 -2.435 26 HB2 PHE 3 2HB PHE 3 8.480 -3.220 -3.145 27 HB3 PHE 3 3HB PHE 3 9.664 -2.328 -4.094 28 HD1 PHE 3 HD1 PHE 3 10.878 -0.438 -2.468 29 HD2 PHE 3 HD2 PHE 3 9.382 -4.254 -1.320 30 HE1 PHE 3 HE1 PHE 3 12.432 -0.470 -0.561 31 HE2 PHE 3 HE2 PHE 3 10.933 -4.291 0.589 32 HZ PHE 3 HZ PHE 3 12.460 -2.397 0.972 33 H ARG 4 H ARG 4 10.199 -0.162 -4.353 34 HA ARG 4 HA ARG 4 9.102 1.617 -6.178 35 HB2 ARG 4 2HB ARG 4 11.272 1.310 -7.439 36 HB3 ARG 4 3HB ARG 4 11.433 1.740 -5.742 37 HG2 ARG 4 2HG ARG 4 12.133 -0.407 -5.142 38 HG3 ARG 4 3HG ARG 4 11.548 -1.113 -6.651 39 HD2 ARG 4 2HD ARG 4 13.284 0.551 -7.716 40 HD3 ARG 4 3HD ARG 4 14.020 0.462 -6.116 41 HE ARG 4 HE ARG 4 14.112 -1.526 -8.137 42 HH11 ARG 4 1HH1 ARG 4 13.914 -1.100 -4.688 43 HH12 ARG 4 2HH1 ARG 4 14.664 -2.619 -4.326 44 HH21 ARG 4 1HH2 ARG 4 15.101 -3.528 -7.674 45 HH22 ARG 4 2HH2 ARG 4 15.340 -3.999 -6.025 46 H VAL 5 H VAL 5 8.049 1.408 -8.046 47 HA VAL 5 HA VAL 5 7.231 -1.133 -8.997 48 HB VAL 5 HB VAL 5 6.123 0.049 -10.792 49 HG11 VAL 5 1HG1 VAL 5 5.991 1.449 -8.129 50 HG12 VAL 5 2HG1 VAL 5 4.850 1.743 -9.442 51 HG13 VAL 5 3HG1 VAL 5 4.965 0.140 -8.715 52 HG21 VAL 5 3HG2 VAL 5 6.525 2.712 -10.534 53 HG22 VAL 5 1HG2 VAL 5 8.141 2.100 -10.180 54 HG23 VAL 5 2HG2 VAL 5 7.360 1.696 -11.708 55 H TYR 6 H TYR 6 7.371 -1.419 -11.557 56 HA TYR 6 HA TYR 6 9.951 -0.786 -12.670 57 HB2 TYR 6 2HB TYR 6 10.159 -2.867 -11.091 58 HB3 TYR 6 3HB TYR 6 9.391 -3.720 -12.424 59 HD1 TYR 6 HD1 TYR 6 12.394 -1.879 -11.366 60 HD2 TYR 6 HD2 TYR 6 10.579 -4.155 -14.469 61 HE1 TYR 6 HE1 TYR 6 14.579 -2.102 -12.473 62 HE2 TYR 6 HE2 TYR 6 12.759 -4.386 -15.583 63 HH TYR 6 HH TYR 6 15.115 -4.276 -15.060 64 H ARG 7 H ARG 7 10.188 -1.605 -14.886 65 HA ARG 7 HA ARG 7 7.756 -1.318 -16.339 66 HB2 ARG 7 2HB ARG 7 10.580 -1.984 -17.150 67 HB3 ARG 7 3HB ARG 7 9.265 -1.917 -18.316 68 HG2 ARG 7 2HG ARG 7 10.257 0.183 -18.445 69 HG3 ARG 7 3HG ARG 7 8.839 0.441 -17.427 70 HD2 ARG 7 2HD ARG 7 10.123 0.572 -15.474 71 HD3 ARG 7 3HD ARG 7 11.523 -0.178 -16.240 72 HE ARG 7 HE ARG 7 10.795 2.324 -17.433 73 HH11 ARG 7 1HH1 ARG 7 12.548 0.821 -14.828 74 HH12 ARG 7 2HH1 ARG 7 13.640 2.151 -14.622 75 HH21 ARG 7 1HH2 ARG 7 12.227 4.080 -17.173 76 HH22 ARG 7 2HH2 ARG 7 13.456 4.004 -15.956 77 H GLY 8 H GLY 8 6.271 -2.875 -16.426 78 HA2 GLY 8 2HA GLY 8 6.074 -5.087 -17.739 79 HA3 GLY 8 3HA GLY 8 7.164 -5.679 -16.494 80 H ILE 9 H ILE 9 5.804 -3.899 -14.490 81 HA ILE 9 HA ILE 9 3.261 -5.353 -14.228 82 HB ILE 9 HB ILE 9 4.877 -6.472 -12.789 83 HG12 ILE 9 2HG1 ILE 9 3.690 -6.184 -10.616 84 HG13 ILE 9 3HG1 ILE 9 2.890 -4.762 -11.277 85 HG21 ILE 9 1HG2 ILE 9 5.204 -3.935 -11.222 86 HG22 ILE 9 2HG2 ILE 9 6.161 -5.414 -11.147 87 HG23 ILE 9 3HG2 ILE 9 6.290 -4.351 -12.548 88 HD11 ILE 9 3HD1 ILE 9 1.756 -7.144 -11.276 89 HD12 ILE 9 1HD1 ILE 9 1.494 -5.986 -12.579 90 HD13 ILE 9 2HD1 ILE 9 2.653 -7.299 -12.786 91 H TYR 10 H TYR 10 1.585 -4.074 -13.808 92 HA TYR 10 HA TYR 10 1.977 -1.254 -13.441 93 HB2 TYR 10 2HB TYR 10 -0.476 -2.998 -13.625 94 HB3 TYR 10 3HB TYR 10 -0.575 -1.269 -13.314 95 HD1 TYR 10 HD1 TYR 10 0.753 -3.743 -15.758 96 HD2 TYR 10 HD2 TYR 10 -0.572 0.245 -15.093 97 HE1 TYR 10 HE1 TYR 10 0.860 -3.310 -18.177 98 HE2 TYR 10 HE2 TYR 10 -0.470 0.688 -17.510 99 HH TYR 10 HH TYR 10 -0.630 -0.952 -19.690 100 H ARG 11 H ARG 11 2.532 -0.469 -11.520 101 HA ARG 11 HA ARG 11 0.872 -1.036 -9.217 102 HB2 ARG 11 2HB ARG 11 3.763 -1.839 -9.372 103 HB3 ARG 11 3HB ARG 11 3.030 -1.415 -7.830 104 HG2 ARG 11 2HG ARG 11 1.212 -3.163 -8.626 105 HG3 ARG 11 3HG ARG 11 2.575 -3.774 -9.567 106 HD2 ARG 11 2HD ARG 11 3.754 -4.399 -7.709 107 HD3 ARG 11 3HD ARG 11 3.021 -3.158 -6.695 108 HE ARG 11 HE ARG 11 2.089 -5.834 -7.089 109 HH11 ARG 11 1HH1 ARG 11 1.111 -2.577 -6.343 110 HH12 ARG 11 2HH1 ARG 11 -0.318 -3.062 -5.492 111 HH21 ARG 11 1HH2 ARG 11 0.210 -6.485 -5.971 112 HH22 ARG 11 2HH2 ARG 11 -0.829 -5.286 -5.280 113 H ARG 12 H ARG 12 1.950 0.226 -7.238 114 HA ARG 12 HA ARG 12 3.095 2.752 -8.175 115 HB2 ARG 12 2HB ARG 12 0.531 2.840 -7.992 116 HB3 ARG 12 3HB ARG 12 0.779 2.744 -6.253 117 HG2 ARG 12 2HG ARG 12 2.076 4.793 -6.299 118 HG3 ARG 12 3HG ARG 12 1.906 4.878 -8.053 119 HD2 ARG 12 2HD ARG 12 0.310 6.365 -7.046 120 HD3 ARG 12 3HD ARG 12 -0.552 5.002 -7.760 121 HE ARG 12 HE ARG 12 -0.189 4.249 -5.179 122 HH11 ARG 12 1HH1 ARG 12 -1.542 7.069 -6.706 123 HH12 ARG 12 2HH1 ARG 12 -2.665 7.385 -5.425 124 HH21 ARG 12 1HH2 ARG 12 -1.662 4.654 -3.485 125 HH22 ARG 12 2HH2 ARG 12 -2.731 6.011 -3.593 126 H ARG 13 H ARG 13 4.462 3.725 -6.744 127 HA ARG 13 HA ARG 13 5.697 2.213 -4.770 128 HB2 ARG 13 2HB ARG 13 5.606 5.222 -5.056 129 HB3 ARG 13 3HB ARG 13 6.738 4.341 -4.038 130 HG2 ARG 13 2HG ARG 13 7.372 3.122 -6.238 131 HG3 ARG 13 3HG ARG 13 6.611 4.513 -7.014 132 HD2 ARG 13 2HD ARG 13 8.203 5.680 -5.107 133 HD3 ARG 13 3HD ARG 13 9.172 4.301 -5.626 134 HE ARG 13 HE ARG 13 9.535 5.365 -7.613 135 HH11 ARG 13 1HH1 ARG 13 6.784 6.816 -6.049 136 HH12 ARG 13 2HH1 ARG 13 6.632 8.092 -7.211 137 HH21 ARG 13 1HH2 ARG 13 9.345 7.040 -9.149 138 HH22 ARG 13 2HH2 ARG 13 8.089 8.218 -8.975 Start of MODEL 18 1 H1 LYS 1 H LYS 1 0.665 0.182 0.131 2 HA LYS 1 HA LYS 1 1.278 0.732 -2.691 3 HB2 LYS 1 2HB LYS 1 3.057 2.265 -2.032 4 HB3 LYS 1 3HB LYS 1 1.505 2.825 -1.423 5 HG2 LYS 1 2HG LYS 1 2.085 1.802 0.777 6 HG3 LYS 1 3HG LYS 1 3.694 1.470 0.134 7 HD2 LYS 1 2HD LYS 1 2.600 4.241 -0.036 8 HD3 LYS 1 3HD LYS 1 3.225 3.656 1.507 9 HE2 LYS 1 2HE LYS 1 4.868 3.275 -0.949 10 HE3 LYS 1 3HE LYS 1 4.786 4.880 -0.224 11 HZ1 LYS 1 3HZ LYS 1 5.860 2.389 0.934 12 HZ2 LYS 1 1HZ LYS 1 5.368 3.662 1.933 13 HZ3 LYS 1 2HZ LYS 1 6.601 3.904 0.801 14 H TRP 2 H TRP 2 3.100 -0.258 -3.505 15 HA TRP 2 HA TRP 2 4.397 -2.198 -1.705 16 HB2 TRP 2 2HB TRP 2 4.182 -3.814 -3.268 17 HB3 TRP 2 3HB TRP 2 2.943 -2.763 -3.951 18 HD1 TRP 2 HD1 TRP 2 3.948 -0.981 -5.912 19 HE1 TRP 2 HE1 TRP 2 5.639 -1.505 -7.780 20 HE3 TRP 2 HE3 TRP 2 6.069 -5.188 -3.929 21 HZ2 TRP 2 HZ2 TRP 2 7.610 -3.446 -8.339 22 HZ3 TRP 2 HZ3 TRP 2 7.850 -6.319 -5.194 23 HH2 TRP 2 HH2 TRP 2 8.604 -5.465 -7.354 24 H PHE 3 H PHE 3 6.566 -2.972 -2.905 25 HA PHE 3 HA PHE 3 8.415 -0.933 -2.590 26 HB2 PHE 3 2HB PHE 3 8.446 -3.691 -3.470 27 HB3 PHE 3 3HB PHE 3 9.595 -2.725 -4.390 28 HD1 PHE 3 HD1 PHE 3 10.821 -0.919 -2.679 29 HD2 PHE 3 HD2 PHE 3 9.406 -4.821 -1.734 30 HE1 PHE 3 HE1 PHE 3 12.420 -1.044 -0.814 31 HE2 PHE 3 HE2 PHE 3 11.002 -4.951 0.134 32 HZ PHE 3 HZ PHE 3 12.511 -3.061 0.597 33 H ARG 4 H ARG 4 10.096 -0.541 -4.528 34 HA ARG 4 HA ARG 4 8.932 1.329 -6.217 35 HB2 ARG 4 2HB ARG 4 11.554 -0.091 -6.164 36 HB3 ARG 4 3HB ARG 4 11.132 0.816 -7.611 37 HG2 ARG 4 2HG ARG 4 12.476 2.129 -6.040 38 HG3 ARG 4 3HG ARG 4 10.884 2.840 -6.315 39 HD2 ARG 4 2HD ARG 4 10.118 2.258 -4.208 40 HD3 ARG 4 3HD ARG 4 11.314 0.976 -4.018 41 HE ARG 4 HE ARG 4 12.543 3.537 -4.176 42 HH11 ARG 4 1HH1 ARG 4 10.809 1.409 -2.035 43 HH12 ARG 4 2HH1 ARG 4 11.506 2.077 -0.596 44 HH21 ARG 4 1HH2 ARG 4 13.467 4.425 -2.289 45 HH22 ARG 4 2HH2 ARG 4 13.016 3.793 -0.742 46 H VAL 5 H VAL 5 7.839 1.218 -8.070 47 HA VAL 5 HA VAL 5 7.046 -1.279 -9.158 48 HB VAL 5 HB VAL 5 5.855 -0.011 -10.837 49 HG11 VAL 5 1HG1 VAL 5 5.774 1.171 -8.072 50 HG12 VAL 5 2HG1 VAL 5 4.605 1.584 -9.328 51 HG13 VAL 5 3HG1 VAL 5 4.734 -0.079 -8.754 52 HG21 VAL 5 3HG2 VAL 5 7.269 1.649 -11.605 53 HG22 VAL 5 1HG2 VAL 5 6.104 2.572 -10.656 54 HG23 VAL 5 2HG2 VAL 5 7.687 2.190 -9.979 55 H TYR 6 H TYR 6 7.357 -1.994 -11.368 56 HA TYR 6 HA TYR 6 9.839 -1.047 -12.618 57 HB2 TYR 6 2HB TYR 6 10.141 -3.161 -11.192 58 HB3 TYR 6 3HB TYR 6 9.192 -3.983 -12.425 59 HD1 TYR 6 HD1 TYR 6 12.314 -2.066 -11.857 60 HD2 TYR 6 HD2 TYR 6 10.179 -4.672 -14.456 61 HE1 TYR 6 HE1 TYR 6 14.348 -2.382 -13.201 62 HE2 TYR 6 HE2 TYR 6 12.208 -4.996 -15.807 63 HH TYR 6 HH TYR 6 14.908 -4.754 -15.161 64 H ARG 7 H ARG 7 10.079 -1.873 -14.876 65 HA ARG 7 HA ARG 7 7.661 -1.399 -16.320 66 HB2 ARG 7 2HB ARG 7 10.460 -2.141 -17.155 67 HB3 ARG 7 3HB ARG 7 9.152 -1.973 -18.318 68 HG2 ARG 7 2HG ARG 7 10.231 0.089 -18.356 69 HG3 ARG 7 3HG ARG 7 8.817 0.360 -17.335 70 HD2 ARG 7 2HD ARG 7 10.066 0.497 -15.408 71 HD3 ARG 7 3HD ARG 7 11.380 -0.478 -16.066 72 HE ARG 7 HE ARG 7 11.492 1.744 -17.577 73 HH11 ARG 7 1HH1 ARG 7 11.344 1.244 -14.135 74 HH12 ARG 7 2HH1 ARG 7 12.240 2.678 -13.756 75 HH21 ARG 7 1HH2 ARG 7 12.673 3.635 -17.092 76 HH22 ARG 7 2HH2 ARG 7 12.994 4.038 -15.439 77 H GLY 8 H GLY 8 6.117 -2.892 -16.473 78 HA2 GLY 8 2HA GLY 8 5.846 -5.041 -17.880 79 HA3 GLY 8 3HA GLY 8 6.898 -5.724 -16.649 80 H ILE 9 H ILE 9 5.571 -3.941 -14.607 81 HA ILE 9 HA ILE 9 2.987 -5.335 -14.409 82 HB ILE 9 HB ILE 9 4.553 -6.514 -12.964 83 HG12 ILE 9 2HG1 ILE 9 3.343 -6.233 -10.806 84 HG13 ILE 9 3HG1 ILE 9 2.593 -4.776 -11.449 85 HG21 ILE 9 1HG2 ILE 9 4.922 -4.006 -11.360 86 HG22 ILE 9 2HG2 ILE 9 5.837 -5.511 -11.287 87 HG23 ILE 9 3HG2 ILE 9 6.018 -4.436 -12.674 88 HD11 ILE 9 3HD1 ILE 9 2.314 -7.397 -12.859 89 HD12 ILE 9 1HD1 ILE 9 1.272 -6.970 -11.503 90 HD13 ILE 9 2HD1 ILE 9 1.289 -5.965 -12.952 91 H TYR 10 H TYR 10 1.335 -4.021 -14.003 92 HA TYR 10 HA TYR 10 1.778 -1.219 -13.595 93 HB2 TYR 10 2HB TYR 10 -0.611 -2.966 -14.004 94 HB3 TYR 10 3HB TYR 10 -0.851 -1.353 -13.343 95 HD1 TYR 10 HD1 TYR 10 0.221 -3.270 -16.284 96 HD2 TYR 10 HD2 TYR 10 -0.501 0.613 -14.703 97 HE1 TYR 10 HE1 TYR 10 0.301 -2.336 -18.558 98 HE2 TYR 10 HE2 TYR 10 -0.424 1.558 -16.973 99 HH TYR 10 HH TYR 10 0.784 -0.108 -19.617 100 H ARG 11 H ARG 11 2.346 -0.467 -11.663 101 HA ARG 11 HA ARG 11 0.656 -0.975 -9.379 102 HB2 ARG 11 2HB ARG 11 3.484 -1.973 -9.524 103 HB3 ARG 11 3HB ARG 11 2.784 -1.499 -7.982 104 HG2 ARG 11 2HG ARG 11 0.849 -3.110 -8.736 105 HG3 ARG 11 3HG ARG 11 2.125 -3.803 -9.740 106 HD2 ARG 11 2HD ARG 11 3.335 -4.533 -7.936 107 HD3 ARG 11 3HD ARG 11 2.706 -3.277 -6.870 108 HE ARG 11 HE ARG 11 1.614 -5.885 -7.286 109 HH11 ARG 11 1HH1 ARG 11 0.821 -2.591 -6.485 110 HH12 ARG 11 2HH1 ARG 11 -0.618 -3.012 -5.616 111 HH21 ARG 11 1HH2 ARG 11 -0.278 -6.451 -6.144 112 HH22 ARG 11 2HH2 ARG 11 -1.241 -5.208 -5.422 113 H ARG 12 H ARG 12 1.814 0.186 -7.373 114 HA ARG 12 HA ARG 12 3.045 2.681 -8.306 115 HB2 ARG 12 2HB ARG 12 0.665 3.146 -8.074 116 HB3 ARG 12 3HB ARG 12 0.671 2.483 -6.446 117 HG2 ARG 12 2HG ARG 12 1.939 4.283 -5.608 118 HG3 ARG 12 3HG ARG 12 2.352 4.844 -7.229 119 HD2 ARG 12 2HD ARG 12 0.686 6.320 -6.521 120 HD3 ARG 12 3HD ARG 12 -0.166 5.171 -7.552 121 HE ARG 12 HE ARG 12 -1.345 4.451 -5.724 122 HH11 ARG 12 1HH1 ARG 12 1.377 6.346 -4.666 123 HH12 ARG 12 2HH1 ARG 12 0.865 6.396 -3.012 124 HH21 ARG 12 1HH2 ARG 12 -2.030 4.510 -3.549 125 HH22 ARG 12 2HH2 ARG 12 -1.072 5.351 -2.377 126 H ARG 13 H ARG 13 4.775 3.222 -7.148 127 HA ARG 13 HA ARG 13 5.449 1.682 -4.795 128 HB2 ARG 13 2HB ARG 13 7.618 2.679 -4.956 129 HB3 ARG 13 3HB ARG 13 7.108 2.254 -6.584 130 HG2 ARG 13 2HG ARG 13 6.568 4.541 -7.074 131 HG3 ARG 13 3HG ARG 13 6.885 5.012 -5.403 132 HD2 ARG 13 2HD ARG 13 8.882 5.596 -6.325 133 HD3 ARG 13 3HD ARG 13 9.238 3.914 -5.936 134 HE ARG 13 HE ARG 13 9.378 3.471 -8.173 135 HH11 ARG 13 1HH1 ARG 13 7.712 6.495 -7.723 136 HH12 ARG 13 2HH1 ARG 13 7.672 6.873 -9.413 137 HH21 ARG 13 1HH2 ARG 13 9.331 3.958 -10.401 138 HH22 ARG 13 2HH2 ARG 13 8.592 5.429 -10.936 Start of MODEL 19 1 H1 LYS 1 H LYS 1 -0.378 0.257 -0.488 2 HA LYS 1 HA LYS 1 0.863 1.162 -2.970 3 HB2 LYS 1 2HB LYS 1 2.374 2.668 -1.924 4 HB3 LYS 1 3HB LYS 1 0.769 3.095 -1.345 5 HG2 LYS 1 2HG LYS 1 1.844 3.133 0.637 6 HG3 LYS 1 3HG LYS 1 1.470 1.408 0.597 7 HD2 LYS 1 2HD LYS 1 3.698 1.277 1.053 8 HD3 LYS 1 3HD LYS 1 3.784 1.333 -0.709 9 HE2 LYS 1 2HE LYS 1 3.807 3.885 0.834 10 HE3 LYS 1 3HE LYS 1 5.276 2.913 0.763 11 HZ1 LYS 1 3HZ LYS 1 4.350 3.033 -1.823 12 HZ2 LYS 1 1HZ LYS 1 5.672 3.871 -1.181 13 HZ3 LYS 1 2HZ LYS 1 4.147 4.601 -1.222 14 H TRP 2 H TRP 2 2.750 0.118 -3.468 15 HA TRP 2 HA TRP 2 3.715 -1.860 -1.509 16 HB2 TRP 2 2HB TRP 2 3.567 -3.545 -3.004 17 HB3 TRP 2 3HB TRP 2 2.436 -2.486 -3.842 18 HD1 TRP 2 HD1 TRP 2 3.679 -0.847 -5.793 19 HE1 TRP 2 HE1 TRP 2 5.500 -1.531 -7.478 20 HE3 TRP 2 HE3 TRP 2 5.444 -5.023 -3.430 21 HZ2 TRP 2 HZ2 TRP 2 7.429 -3.572 -7.768 22 HZ3 TRP 2 HZ3 TRP 2 7.278 -6.284 -4.478 23 HH2 TRP 2 HH2 TRP 2 8.248 -5.573 -6.602 24 H PHE 3 H PHE 3 5.945 -2.776 -2.475 25 HA PHE 3 HA PHE 3 7.844 -0.795 -2.099 26 HB2 PHE 3 2HB PHE 3 7.834 -3.594 -2.838 27 HB3 PHE 3 3HB PHE 3 9.097 -2.722 -3.700 28 HD1 PHE 3 HD1 PHE 3 10.249 -0.877 -1.980 29 HD2 PHE 3 HD2 PHE 3 8.593 -4.666 -0.970 30 HE1 PHE 3 HE1 PHE 3 11.677 -0.964 0.022 31 HE2 PHE 3 HE2 PHE 3 10.017 -4.758 1.034 32 HZ PHE 3 HZ PHE 3 11.561 -2.905 1.533 33 H ARG 4 H ARG 4 9.699 -0.567 -3.900 34 HA ARG 4 HA ARG 4 8.763 1.254 -5.772 35 HB2 ARG 4 2HB ARG 4 11.151 0.907 -4.945 36 HB3 ARG 4 3HB ARG 4 11.272 -0.374 -6.143 37 HG2 ARG 4 2HG ARG 4 11.276 1.078 -7.904 38 HG3 ARG 4 3HG ARG 4 10.351 2.305 -7.036 39 HD2 ARG 4 2HD ARG 4 12.271 2.917 -5.735 40 HD3 ARG 4 3HD ARG 4 13.201 1.570 -6.391 41 HE ARG 4 HE ARG 4 12.828 4.127 -7.583 42 HH11 ARG 4 1HH1 ARG 4 13.226 0.745 -8.310 43 HH12 ARG 4 2HH1 ARG 4 13.910 1.029 -9.876 44 HH21 ARG 4 1HH2 ARG 4 13.728 4.513 -9.643 45 HH22 ARG 4 2HH2 ARG 4 14.196 3.172 -10.633 46 H VAL 5 H VAL 5 7.825 1.087 -7.704 47 HA VAL 5 HA VAL 5 7.013 -1.425 -8.734 48 HB VAL 5 HB VAL 5 6.047 -0.200 -10.581 49 HG11 VAL 5 1HG1 VAL 5 5.779 1.176 -7.917 50 HG12 VAL 5 2HG1 VAL 5 4.731 1.511 -9.296 51 HG13 VAL 5 3HG1 VAL 5 4.762 -0.102 -8.582 52 HG21 VAL 5 3HG2 VAL 5 7.928 1.940 -9.688 53 HG22 VAL 5 1HG2 VAL 5 7.586 1.350 -11.314 54 HG23 VAL 5 2HG2 VAL 5 6.421 2.385 -10.489 55 H TYR 6 H TYR 6 7.307 -1.676 -11.289 56 HA TYR 6 HA TYR 6 9.967 -1.096 -12.228 57 HB2 TYR 6 2HB TYR 6 10.103 -3.160 -10.671 58 HB3 TYR 6 3HB TYR 6 9.291 -4.015 -11.977 59 HD1 TYR 6 HD1 TYR 6 12.261 -1.845 -11.345 60 HD2 TYR 6 HD2 TYR 6 10.564 -4.990 -13.653 61 HE1 TYR 6 HE1 TYR 6 14.428 -2.192 -12.454 62 HE2 TYR 6 HE2 TYR 6 12.727 -5.347 -14.769 63 HH TYR 6 HH TYR 6 15.276 -4.841 -14.045 64 H ARG 7 H ARG 7 10.334 -1.975 -14.427 65 HA ARG 7 HA ARG 7 8.022 -1.572 -16.042 66 HB2 ARG 7 2HB ARG 7 10.859 -2.377 -16.655 67 HB3 ARG 7 3HB ARG 7 9.632 -2.263 -17.909 68 HG2 ARG 7 2HG ARG 7 10.734 -0.212 -17.981 69 HG3 ARG 7 3HG ARG 7 9.254 0.120 -17.078 70 HD2 ARG 7 2HD ARG 7 10.367 0.354 -15.078 71 HD3 ARG 7 3HD ARG 7 11.714 -0.663 -15.588 72 HE ARG 7 HE ARG 7 12.765 1.213 -16.339 73 HH11 ARG 7 1HH1 ARG 7 9.354 1.871 -16.116 74 HH12 ARG 7 2HH1 ARG 7 9.518 3.548 -16.519 75 HH21 ARG 7 1HH2 ARG 7 12.995 3.420 -16.870 76 HH22 ARG 7 2HH2 ARG 7 11.589 4.428 -16.948 77 H GLY 8 H GLY 8 6.471 -3.052 -16.231 78 HA2 GLY 8 2HA GLY 8 6.246 -5.258 -17.544 79 HA3 GLY 8 3HA GLY 8 7.227 -5.897 -16.234 80 H ILE 9 H ILE 9 5.766 -3.946 -14.395 81 HA ILE 9 HA ILE 9 3.165 -5.299 -14.267 82 HB ILE 9 HB ILE 9 4.617 -6.506 -12.728 83 HG12 ILE 9 2HG1 ILE 9 3.308 -6.150 -10.638 84 HG13 ILE 9 3HG1 ILE 9 2.637 -4.684 -11.344 85 HG21 ILE 9 1HG2 ILE 9 4.982 -3.994 -11.132 86 HG22 ILE 9 2HG2 ILE 9 5.854 -5.521 -11.009 87 HG23 ILE 9 3HG2 ILE 9 6.125 -4.460 -12.391 88 HD11 ILE 9 3HD1 ILE 9 1.101 -6.573 -11.503 89 HD12 ILE 9 1HD1 ILE 9 1.582 -5.984 -13.094 90 HD13 ILE 9 2HD1 ILE 9 2.296 -7.461 -12.447 91 H TYR 10 H TYR 10 1.540 -3.926 -13.956 92 HA TYR 10 HA TYR 10 2.075 -1.133 -13.542 93 HB2 TYR 10 2HB TYR 10 -0.402 -2.758 -14.038 94 HB3 TYR 10 3HB TYR 10 -0.525 -1.071 -13.552 95 HD1 TYR 10 HD1 TYR 10 1.009 -3.281 -16.124 96 HD2 TYR 10 HD2 TYR 10 -0.366 0.625 -15.149 97 HE1 TYR 10 HE1 TYR 10 1.328 -2.591 -18.463 98 HE2 TYR 10 HE2 TYR 10 -0.052 1.326 -17.485 99 HH TYR 10 HH TYR 10 1.264 -0.908 -19.912 100 H ARG 11 H ARG 11 2.517 -0.394 -11.574 101 HA ARG 11 HA ARG 11 0.643 -0.855 -9.421 102 HB2 ARG 11 2HB ARG 11 3.478 -1.855 -9.326 103 HB3 ARG 11 3HB ARG 11 2.612 -1.427 -7.857 104 HG2 ARG 11 2HG ARG 11 0.829 -3.049 -8.548 105 HG3 ARG 11 3HG ARG 11 1.912 -3.573 -9.840 106 HD2 ARG 11 2HD ARG 11 3.416 -4.523 -8.377 107 HD3 ARG 11 3HD ARG 11 2.924 -3.488 -7.037 108 HE ARG 11 HE ARG 11 1.882 -6.046 -7.669 109 HH11 ARG 11 1HH1 ARG 11 0.950 -2.912 -6.473 110 HH12 ARG 11 2HH1 ARG 11 -0.394 -3.515 -5.561 111 HH21 ARG 11 1HH2 ARG 11 0.116 -6.852 -6.472 112 HH22 ARG 11 2HH2 ARG 11 -0.866 -5.757 -5.560 113 H ARG 12 H ARG 12 1.655 0.302 -7.341 114 HA ARG 12 HA ARG 12 2.924 2.806 -8.219 115 HB2 ARG 12 2HB ARG 12 0.602 3.343 -8.004 116 HB3 ARG 12 3HB ARG 12 0.487 2.494 -6.468 117 HG2 ARG 12 2HG ARG 12 1.525 4.181 -5.300 118 HG3 ARG 12 3HG ARG 12 2.355 4.802 -6.729 119 HD2 ARG 12 2HD ARG 12 0.599 6.079 -7.356 120 HD3 ARG 12 3HD ARG 12 -0.589 4.895 -6.812 121 HE ARG 12 HE ARG 12 0.370 7.144 -5.356 122 HH11 ARG 12 1HH1 ARG 12 -0.746 3.865 -5.000 123 HH12 ARG 12 2HH1 ARG 12 -1.310 4.095 -3.378 124 HH21 ARG 12 1HH2 ARG 12 -0.369 7.459 -3.221 125 HH22 ARG 12 2HH2 ARG 12 -1.096 6.140 -2.367 126 H ARG 13 H ARG 13 4.586 3.446 -6.996 127 HA ARG 13 HA ARG 13 5.220 1.882 -4.617 128 HB2 ARG 13 2HB ARG 13 7.446 2.676 -4.837 129 HB3 ARG 13 3HB ARG 13 6.897 2.295 -6.464 130 HG2 ARG 13 2HG ARG 13 6.497 4.644 -6.908 131 HG3 ARG 13 3HG ARG 13 6.966 5.053 -5.257 132 HD2 ARG 13 2HD ARG 13 9.158 3.737 -5.951 133 HD3 ARG 13 3HD ARG 13 8.642 4.222 -7.566 134 HE ARG 13 HE ARG 13 9.303 6.348 -7.079 135 HH11 ARG 13 1HH1 ARG 13 8.846 4.614 -4.095 136 HH12 ARG 13 2HH1 ARG 13 9.450 5.900 -3.104 137 HH21 ARG 13 1HH2 ARG 13 10.100 8.049 -5.784 138 HH22 ARG 13 2HH2 ARG 13 10.162 7.854 -4.065 Start of MODEL 20 1 H1 LYS 1 H LYS 1 0.562 -0.803 0.294 2 HA LYS 1 HA LYS 1 1.016 0.040 -2.418 3 HB2 LYS 1 2HB LYS 1 2.838 1.600 -1.911 4 HB3 LYS 1 3HB LYS 1 1.307 2.174 -1.262 5 HG2 LYS 1 2HG LYS 1 1.924 1.674 0.941 6 HG3 LYS 1 3HG LYS 1 3.264 0.648 0.422 7 HD2 LYS 1 2HD LYS 1 4.627 2.436 -0.050 8 HD3 LYS 1 3HD LYS 1 3.272 3.521 -0.369 9 HE2 LYS 1 2HE LYS 1 3.908 2.457 2.373 10 HE3 LYS 1 3HE LYS 1 4.590 3.958 1.749 11 HZ1 LYS 1 3HZ LYS 1 1.853 4.069 1.304 12 HZ2 LYS 1 1HZ LYS 1 2.756 4.976 2.411 13 HZ3 LYS 1 2HZ LYS 1 2.050 3.515 2.890 14 H TRP 2 H TRP 2 3.001 -0.732 -3.275 15 HA TRP 2 HA TRP 2 4.321 -2.741 -1.569 16 HB2 TRP 2 2HB TRP 2 4.146 -4.297 -3.195 17 HB3 TRP 2 3HB TRP 2 2.878 -3.253 -3.834 18 HD1 TRP 2 HD1 TRP 2 3.831 -1.366 -5.722 19 HE1 TRP 2 HE1 TRP 2 5.531 -1.769 -7.612 20 HE3 TRP 2 HE3 TRP 2 6.067 -5.593 -3.913 21 HZ2 TRP 2 HZ2 TRP 2 7.553 -3.633 -8.251 22 HZ3 TRP 2 HZ3 TRP 2 7.876 -6.624 -5.225 23 HH2 TRP 2 HH2 TRP 2 8.601 -5.663 -7.349 24 H PHE 3 H PHE 3 6.508 -3.407 -2.801 25 HA PHE 3 HA PHE 3 8.302 -1.334 -2.405 26 HB2 PHE 3 2HB PHE 3 8.405 -4.052 -3.397 27 HB3 PHE 3 3HB PHE 3 9.526 -3.020 -4.278 28 HD1 PHE 3 HD1 PHE 3 10.706 -1.252 -2.496 29 HD2 PHE 3 HD2 PHE 3 9.399 -5.226 -1.709 30 HE1 PHE 3 HE1 PHE 3 12.312 -1.409 -0.638 31 HE2 PHE 3 HE2 PHE 3 11.002 -5.389 0.150 32 HZ PHE 3 HZ PHE 3 12.461 -3.479 0.688 33 H ARG 4 H ARG 4 9.968 -0.819 -4.328 34 HA ARG 4 HA ARG 4 8.752 1.086 -5.937 35 HB2 ARG 4 2HB ARG 4 11.407 -0.289 -6.003 36 HB3 ARG 4 3HB ARG 4 10.947 0.748 -7.347 37 HG2 ARG 4 2HG ARG 4 10.549 2.578 -5.694 38 HG3 ARG 4 3HG ARG 4 11.236 1.524 -4.456 39 HD2 ARG 4 2HD ARG 4 13.357 1.640 -5.344 40 HD3 ARG 4 3HD ARG 4 12.772 2.014 -6.965 41 HE ARG 4 HE ARG 4 12.858 4.233 -6.434 42 HH11 ARG 4 1HH1 ARG 4 12.902 2.371 -3.493 43 HH12 ARG 4 2HH1 ARG 4 13.190 3.743 -2.475 44 HH21 ARG 4 1HH2 ARG 4 13.237 6.047 -5.104 45 HH22 ARG 4 2HH2 ARG 4 13.379 5.833 -3.392 46 H VAL 5 H VAL 5 7.657 1.022 -7.791 47 HA VAL 5 HA VAL 5 6.942 -1.456 -8.983 48 HB VAL 5 HB VAL 5 5.685 -0.159 -10.590 49 HG11 VAL 5 1HG1 VAL 5 5.588 0.839 -7.758 50 HG12 VAL 5 2HG1 VAL 5 4.415 1.345 -8.975 51 HG13 VAL 5 3HG1 VAL 5 4.555 -0.358 -8.538 52 HG21 VAL 5 3HG2 VAL 5 6.697 1.686 -11.363 53 HG22 VAL 5 1HG2 VAL 5 5.967 2.490 -9.973 54 HG23 VAL 5 2HG2 VAL 5 7.629 1.907 -9.882 55 H TYR 6 H TYR 6 7.213 -1.981 -11.280 56 HA TYR 6 HA TYR 6 9.620 -0.872 -12.522 57 HB2 TYR 6 2HB TYR 6 10.109 -2.989 -11.130 58 HB3 TYR 6 3HB TYR 6 9.237 -3.855 -12.390 59 HD1 TYR 6 HD2 TYR 6 12.098 -1.524 -11.883 60 HD2 TYR 6 HD1 TYR 6 10.356 -4.553 -14.311 61 HE1 TYR 6 HE2 TYR 6 14.152 -1.614 -13.234 62 HE2 TYR 6 HE1 TYR 6 12.405 -4.652 -15.668 63 HH TYR 6 HH TYR 6 15.294 -2.884 -14.765 64 H ARG 7 H ARG 7 9.835 -1.459 -14.798 65 HA ARG 7 HA ARG 7 7.386 -1.202 -16.184 66 HB2 ARG 7 2HB ARG 7 10.206 -1.773 -17.071 67 HB3 ARG 7 3HB ARG 7 8.873 -1.705 -18.217 68 HG2 ARG 7 2HG ARG 7 9.811 0.426 -18.283 69 HG3 ARG 7 3HG ARG 7 8.391 0.607 -17.252 70 HD2 ARG 7 2HD ARG 7 9.636 0.894 -15.353 71 HD3 ARG 7 3HD ARG 7 10.986 -0.061 -15.966 72 HE ARG 7 HE ARG 7 10.689 2.336 -17.450 73 HH11 ARG 7 1HH1 ARG 7 11.821 1.107 -14.396 74 HH12 ARG 7 2HH1 ARG 7 12.973 2.380 -14.162 75 HH21 ARG 7 1HH2 ARG 7 12.201 4.018 -17.154 76 HH22 ARG 7 2HH2 ARG 7 13.188 4.036 -15.731 77 H GLY 8 H GLY 8 5.916 -2.762 -16.358 78 HA2 GLY 8 2HA GLY 8 5.736 -4.916 -17.770 79 HA3 GLY 8 3HA GLY 8 6.829 -5.553 -16.551 80 H ILE 9 H ILE 9 5.385 -3.785 -14.531 81 HA ILE 9 HA ILE 9 2.871 -5.286 -14.321 82 HB ILE 9 HB ILE 9 4.479 -6.481 -12.935 83 HG12 ILE 9 2HG1 ILE 9 3.277 -6.330 -10.771 84 HG13 ILE 9 3HG1 ILE 9 2.512 -4.843 -11.320 85 HG21 ILE 9 1HG2 ILE 9 4.805 -4.031 -11.236 86 HG22 ILE 9 2HG2 ILE 9 5.763 -5.511 -11.241 87 HG23 ILE 9 3HG2 ILE 9 5.893 -4.372 -12.581 88 HD11 ILE 9 3HD1 ILE 9 0.917 -5.989 -12.327 89 HD12 ILE 9 1HD1 ILE 9 2.101 -6.913 -13.251 90 HD13 ILE 9 2HD1 ILE 9 1.604 -7.466 -11.651 91 H TYR 10 H TYR 10 1.197 -4.024 -13.841 92 HA TYR 10 HA TYR 10 1.600 -1.228 -13.328 93 HB2 TYR 10 2HB TYR 10 -0.851 -2.953 -13.639 94 HB3 TYR 10 3HB TYR 10 -0.960 -1.249 -13.211 95 HD1 TYR 10 HD1 TYR 10 0.421 -3.537 -15.804 96 HD2 TYR 10 HD2 TYR 10 -0.970 0.376 -14.883 97 HE1 TYR 10 HE1 TYR 10 0.548 -2.939 -18.187 98 HE2 TYR 10 HE2 TYR 10 -0.849 0.986 -17.263 99 HH TYR 10 HH TYR 10 0.847 -0.541 -19.467 100 H ARG 11 H ARG 11 2.148 -0.553 -11.363 101 HA ARG 11 HA ARG 11 0.457 -1.188 -9.111 102 HB2 ARG 11 2HB ARG 11 3.305 -2.124 -9.283 103 HB3 ARG 11 3HB ARG 11 2.584 -1.738 -7.727 104 HG2 ARG 11 2HG ARG 11 0.690 -3.349 -8.553 105 HG3 ARG 11 3HG ARG 11 1.969 -3.962 -9.603 106 HD2 ARG 11 2HD ARG 11 3.218 -4.754 -7.848 107 HD3 ARG 11 3HD ARG 11 2.554 -3.584 -6.709 108 HE ARG 11 HE ARG 11 1.580 -6.201 -7.214 109 HH11 ARG 11 1HH1 ARG 11 0.542 -2.964 -6.462 110 HH12 ARG 11 2HH1 ARG 11 -0.916 -3.473 -5.677 111 HH21 ARG 11 1HH2 ARG 11 -0.336 -6.884 -6.182 112 HH22 ARG 11 2HH2 ARG 11 -1.414 -5.704 -5.518 113 H ARG 12 H ARG 12 1.588 -0.095 -7.051 114 HA ARG 12 HA ARG 12 2.758 2.468 -7.877 115 HB2 ARG 12 2HB ARG 12 0.218 2.547 -7.458 116 HB3 ARG 12 3HB ARG 12 0.624 2.326 -5.761 117 HG2 ARG 12 2HG ARG 12 0.528 4.593 -5.836 118 HG3 ARG 12 3HG ARG 12 2.230 4.364 -6.244 119 HD2 ARG 12 2HD ARG 12 1.921 4.929 -8.440 120 HD3 ARG 12 3HD ARG 12 0.244 4.386 -8.456 121 HE ARG 12 HE ARG 12 -0.405 6.488 -7.826 122 HH11 ARG 12 1HH1 ARG 12 3.014 6.136 -7.275 123 HH12 ARG 12 2HH1 ARG 12 3.257 7.808 -6.891 124 HH21 ARG 12 1HH2 ARG 12 -0.099 8.692 -7.322 125 HH22 ARG 12 2HH2 ARG 12 1.485 9.261 -6.918 126 H ARG 13 H ARG 13 4.542 2.904 -6.769 127 HA ARG 13 HA ARG 13 5.269 1.300 -4.488 128 HB2 ARG 13 2HB ARG 13 7.416 2.375 -4.628 129 HB3 ARG 13 3HB ARG 13 6.897 1.961 -6.256 130 HG2 ARG 13 2HG ARG 13 6.315 4.227 -6.725 131 HG3 ARG 13 3HG ARG 13 6.572 4.693 -5.042 132 HD2 ARG 13 2HD ARG 13 8.861 4.604 -5.225 133 HD3 ARG 13 3HD ARG 13 8.816 3.442 -6.551 134 HE ARG 13 HE ARG 13 7.703 5.756 -7.543 135 HH11 ARG 13 1HH1 ARG 13 10.754 4.807 -6.161 136 HH12 ARG 13 2HH1 ARG 13 11.671 5.973 -7.057 137 HH21 ARG 13 1HH2 ARG 13 8.899 7.295 -8.729 138 HH22 ARG 13 2HH2 ARG 13 10.614 7.388 -8.516
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