NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
654072 | 7jgx | 30775 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 1 H ILE 1 -8.952 -0.471 -3.410 2 HA ILE 1 HA ILE 1 -6.596 -1.173 -5.038 3 HB ILE 1 HB ILE 1 -8.068 1.460 -5.148 4 HG12 ILE 1 HG12 ILE 1 -9.500 -0.351 -5.997 5 HG13 ILE 1 HG13 ILE 1 -8.968 0.706 -7.300 6 HG21 ILE 1 HG21 ILE 1 -5.711 0.292 -6.556 7 HG22 ILE 1 HG22 ILE 1 -6.736 1.454 -7.397 8 HG23 ILE 1 HG23 ILE 1 -5.940 1.911 -5.892 9 HD11 ILE 1 HD11 ILE 1 -7.828 -1.995 -6.628 10 HD12 ILE 1 HD12 ILE 1 -8.888 -1.610 -7.984 11 HD13 ILE 1 HD13 ILE 1 -7.260 -0.933 -7.916 12 H PHE 2 H PHE 2 -7.841 1.472 -2.988 13 HA PHE 2 HA PHE 2 -5.410 2.616 -2.323 14 HB2 PHE 2 HB2 PHE 2 -7.950 2.421 -0.696 15 HB3 PHE 2 HB3 PHE 2 -6.588 3.451 -0.267 16 HD1 PHE 2 HD1 PHE 2 -9.597 3.181 -2.144 17 HD2 PHE 2 HD2 PHE 2 -5.862 5.211 -1.968 18 HE1 PHE 2 HE1 PHE 2 -10.504 4.964 -3.578 19 HE2 PHE 2 HE2 PHE 2 -6.761 6.999 -3.400 20 HZ PHE 2 HZ PHE 2 -9.084 6.877 -4.206 21 H TRP 3 H TRP 3 -7.133 -0.032 -0.721 22 HA TRP 3 HA TRP 3 -5.400 -0.342 1.460 23 HB2 TRP 3 HB2 TRP 3 -7.045 -2.457 0.049 24 HB3 TRP 3 HB3 TRP 3 -6.351 -2.602 1.663 25 HD1 TRP 3 HD1 TRP 3 -7.321 -0.657 3.479 26 HE1 TRP 3 HE1 TRP 3 -9.745 0.165 3.743 27 HE3 TRP 3 HE3 TRP 3 -9.161 -2.072 -1.077 28 HZ2 TRP 3 HZ2 TRP 3 -12.123 0.209 2.224 29 HZ3 TRP 3 HZ3 TRP 3 -11.522 -1.604 -1.592 30 HH2 TRP 3 HH2 TRP 3 -12.970 -0.488 0.026 31 H LEU 4 H LEU 4 -5.373 -1.853 -1.750 32 HA LEU 4 HA LEU 4 -3.135 -3.516 -1.267 33 HB2 LEU 4 HB2 LEU 4 -4.591 -2.563 -3.686 34 HB3 LEU 4 HB3 LEU 4 -3.020 -3.335 -3.888 35 HG LEU 4 HG LEU 4 -4.879 -4.900 -4.218 36 HD11 LEU 4 HD11 LEU 4 -2.697 -5.217 -2.353 37 HD12 LEU 4 HD12 LEU 4 -4.046 -6.283 -1.957 38 HD13 LEU 4 HD13 LEU 4 -3.318 -6.339 -3.563 39 HD21 LEU 4 HD21 LEU 4 -5.493 -4.618 -1.292 40 HD22 LEU 4 HD22 LEU 4 -6.360 -3.701 -2.523 41 HD23 LEU 4 HD23 LEU 4 -6.414 -5.463 -2.536 42 H PHE 5 H PHE 5 -3.477 -0.293 -2.693 43 HA PHE 5 HA PHE 5 -0.783 0.035 -3.443 44 HB2 PHE 5 HB2 PHE 5 -2.573 1.468 -4.309 45 HB3 PHE 5 HB3 PHE 5 -2.832 2.132 -2.700 46 HD1 PHE 5 HD1 PHE 5 -0.637 2.088 -5.622 47 HD2 PHE 5 HD2 PHE 5 -1.296 3.731 -1.750 48 HE1 PHE 5 HE1 PHE 5 1.031 3.838 -6.084 49 HE2 PHE 5 HE2 PHE 5 0.370 5.483 -2.208 50 HZ PHE 5 HZ PHE 5 1.536 5.538 -4.376 51 H ARG 6 H ARG 6 -2.523 0.808 -0.465 52 HA ARG 6 HA ARG 6 -0.364 2.134 0.807 53 HB2 ARG 6 HB2 ARG 6 -2.762 2.349 1.468 54 HB3 ARG 6 HB3 ARG 6 -2.692 0.710 2.106 55 HG2 ARG 6 HG2 ARG 6 -2.444 2.199 3.934 56 HG3 ARG 6 HG3 ARG 6 -0.864 1.474 3.632 57 HD2 ARG 6 HD2 ARG 6 -0.209 3.482 2.367 58 HD3 ARG 6 HD3 ARG 6 -1.776 4.204 2.731 59 HE ARG 6 HE ARG 6 -0.535 3.454 5.135 60 HH11 ARG 6 HH11 ARG 6 -0.201 5.767 2.554 61 HH12 ARG 6 HH12 ARG 6 0.554 6.966 3.549 62 HH21 ARG 6 HH21 ARG 6 0.458 5.026 6.457 63 HH22 ARG 6 HH22 ARG 6 0.929 6.544 5.771 64 H GLY 7 H GLY 7 -1.501 -1.216 0.810 65 HA2 GLY 7 HA2 GLY 7 0.193 -2.199 2.824 66 HA3 GLY 7 HA3 GLY 7 -0.511 -3.157 1.528 67 H LYS 8 H LYS 8 0.725 -1.762 -0.636 68 HA LYS 8 HA LYS 8 3.164 -3.177 -0.784 69 HB2 LYS 8 HB2 LYS 8 1.573 -2.252 -2.662 70 HB3 LYS 8 HB3 LYS 8 2.602 -0.831 -2.557 71 HG2 LYS 8 HG2 LYS 8 4.545 -2.133 -3.114 72 HG3 LYS 8 HG3 LYS 8 3.602 -3.624 -3.071 73 HD2 LYS 8 HD2 LYS 8 2.802 -1.398 -4.903 74 HD3 LYS 8 HD3 LYS 8 4.118 -2.484 -5.355 75 HE2 LYS 8 HE2 LYS 8 2.727 -4.325 -5.486 76 HE3 LYS 8 HE3 LYS 8 1.520 -3.619 -4.412 77 HZ1 LYS 8 HZ1 LYS 8 0.942 -2.053 -6.179 78 HZ2 LYS 8 HZ2 LYS 8 2.067 -2.785 -7.210 79 HZ3 LYS 8 HZ3 LYS 8 0.719 -3.657 -6.675 80 H ALA 9 H ALA 9 2.458 0.282 -0.365 81 HA ALA 9 HA ALA 9 5.160 1.109 -0.224 82 HB1 ALA 9 HB1 ALA 9 3.869 3.043 1.151 83 HB2 ALA 9 HB2 ALA 9 3.923 2.949 -0.610 84 HB3 ALA 9 HB3 ALA 9 2.525 2.324 0.265 85 H ASP 10 H ASP 10 2.839 0.044 2.197 86 HA ASP 10 HA ASP 10 4.131 0.812 4.523 87 HB2 ASP 10 HB2 ASP 10 1.858 -0.292 4.299 88 HB3 ASP 10 HB3 ASP 10 2.710 -1.829 4.185 89 H VAL 11 H VAL 11 4.732 -1.970 2.446 90 HA VAL 11 HA VAL 11 6.431 -3.459 4.034 91 HB VAL 11 HB VAL 11 6.743 -3.007 1.061 92 HG11 VAL 11 HG11 VAL 11 7.369 -5.652 1.896 93 HG12 VAL 11 HG12 VAL 11 8.426 -4.449 1.155 94 HG13 VAL 11 HG13 VAL 11 8.266 -4.522 2.911 95 HG21 VAL 11 HG21 VAL 11 4.766 -4.499 2.656 96 HG22 VAL 11 HG22 VAL 11 4.642 -3.831 1.029 97 HG23 VAL 11 HG23 VAL 11 5.459 -5.372 1.291 98 H ALA 12 H ALA 12 7.119 -0.560 2.159 99 HA ALA 12 HA ALA 12 9.923 -0.606 2.363 100 HB1 ALA 12 HB1 ALA 12 8.396 1.963 2.319 101 HB2 ALA 12 HB2 ALA 12 9.896 1.538 1.498 102 HB3 ALA 12 HB3 ALA 12 8.362 0.887 0.922 103 H LEU 13 H LEU 13 11.316 0.675 3.703 104 HA LEU 13 HA LEU 13 10.381 0.771 6.459 105 HB2 LEU 13 HB2 LEU 13 13.087 0.942 5.170 106 HB3 LEU 13 HB3 LEU 13 12.845 1.306 6.877 107 HG LEU 13 HG LEU 13 12.243 -1.342 5.560 108 HD11 LEU 13 HD11 LEU 13 14.647 -0.834 5.642 109 HD12 LEU 13 HD12 LEU 13 14.517 -0.564 7.380 110 HD13 LEU 13 HD13 LEU 13 14.206 -2.166 6.711 111 HD21 LEU 13 HD21 LEU 13 12.340 -1.922 8.138 112 HD22 LEU 13 HD22 LEU 13 11.833 -0.239 8.289 113 HD23 LEU 13 HD23 LEU 13 10.851 -1.377 7.367 114 HN1 NH2 14 HN1 NH2 14 9.955 2.585 7.553 115 HN2 NH2 14 HN2 NH2 14 10.243 4.192 7.050 Start of MODEL 2 1 H1 ILE 1 H ILE 1 -8.796 -0.611 -3.977 2 HA ILE 1 HA ILE 1 -6.193 -1.319 -5.162 3 HB ILE 1 HB ILE 1 -6.341 0.938 -6.294 4 HG12 ILE 1 HG12 ILE 1 -9.240 0.682 -5.466 5 HG13 ILE 1 HG13 ILE 1 -8.106 1.890 -4.875 6 HG21 ILE 1 HG21 ILE 1 -8.594 -0.438 -7.483 7 HG22 ILE 1 HG22 ILE 1 -6.964 -0.193 -8.109 8 HG23 ILE 1 HG23 ILE 1 -7.302 -1.553 -7.039 9 HD11 ILE 1 HD11 ILE 1 -7.872 2.488 -7.400 10 HD12 ILE 1 HD12 ILE 1 -9.432 1.674 -7.528 11 HD13 ILE 1 HD13 ILE 1 -9.251 3.070 -6.466 12 H PHE 2 H PHE 2 -7.918 0.852 -3.002 13 HA PHE 2 HA PHE 2 -5.757 2.533 -2.340 14 HB2 PHE 2 HB2 PHE 2 -8.398 1.889 -1.118 15 HB3 PHE 2 HB3 PHE 2 -7.209 2.717 -0.118 16 HD1 PHE 2 HD1 PHE 2 -9.961 3.291 -2.013 17 HD2 PHE 2 HD2 PHE 2 -5.947 4.658 -1.639 18 HE1 PHE 2 HE1 PHE 2 -10.600 5.434 -3.039 19 HE2 PHE 2 HE2 PHE 2 -6.581 6.805 -2.662 20 HZ PHE 2 HZ PHE 2 -8.909 7.195 -3.364 21 H TRP 3 H TRP 3 -7.107 -0.263 -0.591 22 HA TRP 3 HA TRP 3 -5.195 -0.328 1.450 23 HB2 TRP 3 HB2 TRP 3 -7.447 -1.629 1.161 24 HB3 TRP 3 HB3 TRP 3 -6.431 -2.852 0.403 25 HD1 TRP 3 HD1 TRP 3 -4.595 -4.066 1.983 26 HE1 TRP 3 HE1 TRP 3 -4.540 -4.421 4.532 27 HE3 TRP 3 HE3 TRP 3 -8.080 -0.589 3.363 28 HZ2 TRP 3 HZ2 TRP 3 -5.805 -3.368 6.824 29 HZ3 TRP 3 HZ3 TRP 3 -8.599 -0.325 5.755 30 HH2 TRP 3 HH2 TRP 3 -7.485 -1.688 7.447 31 H LEU 4 H LEU 4 -5.240 -1.888 -1.723 32 HA LEU 4 HA LEU 4 -2.937 -3.462 -1.396 33 HB2 LEU 4 HB2 LEU 4 -3.989 -2.230 -3.937 34 HB3 LEU 4 HB3 LEU 4 -2.886 -3.599 -3.819 35 HG LEU 4 HG LEU 4 -5.624 -3.750 -2.613 36 HD11 LEU 4 HD11 LEU 4 -6.657 -3.757 -4.573 37 HD12 LEU 4 HD12 LEU 4 -5.148 -3.267 -5.343 38 HD13 LEU 4 HD13 LEU 4 -5.545 -4.979 -5.192 39 HD21 LEU 4 HD21 LEU 4 -3.399 -5.558 -3.213 40 HD22 LEU 4 HD22 LEU 4 -4.684 -5.693 -2.013 41 HD23 LEU 4 HD23 LEU 4 -4.985 -6.170 -3.683 42 H PHE 5 H PHE 5 -3.359 -0.183 -2.681 43 HA PHE 5 HA PHE 5 -0.658 0.238 -3.373 44 HB2 PHE 5 HB2 PHE 5 -2.846 1.606 -3.928 45 HB3 PHE 5 HB3 PHE 5 -2.386 2.513 -2.491 46 HD1 PHE 5 HD1 PHE 5 -1.323 1.524 -5.876 47 HD2 PHE 5 HD2 PHE 5 -0.580 4.044 -2.528 48 HE1 PHE 5 HE1 PHE 5 0.254 2.846 -7.226 49 HE2 PHE 5 HE2 PHE 5 0.997 5.370 -3.872 50 HZ PHE 5 HZ PHE 5 1.415 4.772 -6.225 51 H ARG 6 H ARG 6 -2.496 1.009 -0.440 52 HA ARG 6 HA ARG 6 -0.413 2.327 0.919 53 HB2 ARG 6 HB2 ARG 6 -2.979 1.032 1.736 54 HB3 ARG 6 HB3 ARG 6 -1.823 1.482 2.982 55 HG2 ARG 6 HG2 ARG 6 -1.837 3.797 1.855 56 HG3 ARG 6 HG3 ARG 6 -3.325 3.239 1.085 57 HD2 ARG 6 HD2 ARG 6 -2.864 3.186 4.062 58 HD3 ARG 6 HD3 ARG 6 -3.631 4.532 3.220 59 HE ARG 6 HE ARG 6 -4.797 1.979 3.833 60 HH11 ARG 6 HH11 ARG 6 -4.912 4.744 1.723 61 HH12 ARG 6 HH12 ARG 6 -6.575 4.515 1.297 62 HH21 ARG 6 HH21 ARG 6 -6.988 1.666 3.279 63 HH22 ARG 6 HH22 ARG 6 -7.756 2.764 2.183 64 H GLY 7 H GLY 7 -1.503 -1.057 1.008 65 HA2 GLY 7 HA2 GLY 7 0.291 -1.977 2.950 66 HA3 GLY 7 HA3 GLY 7 -0.445 -2.970 1.701 67 H LYS 8 H LYS 8 0.611 -2.054 -0.597 68 HA LYS 8 HA LYS 8 3.085 -3.278 -0.763 69 HB2 LYS 8 HB2 LYS 8 1.659 -2.795 -2.708 70 HB3 LYS 8 HB3 LYS 8 2.001 -1.079 -2.534 71 HG2 LYS 8 HG2 LYS 8 3.321 -2.117 -4.315 72 HG3 LYS 8 HG3 LYS 8 4.338 -1.459 -3.030 73 HD2 LYS 8 HD2 LYS 8 4.799 -3.606 -2.163 74 HD3 LYS 8 HD3 LYS 8 3.504 -4.349 -3.103 75 HE2 LYS 8 HE2 LYS 8 5.756 -2.969 -4.501 76 HE3 LYS 8 HE3 LYS 8 5.988 -4.597 -3.864 77 HZ1 LYS 8 HZ1 LYS 8 4.956 -5.401 -5.631 78 HZ2 LYS 8 HZ2 LYS 8 3.558 -4.524 -5.257 79 HZ3 LYS 8 HZ3 LYS 8 4.746 -3.839 -6.249 80 H ALA 9 H ALA 9 2.324 0.130 -0.229 81 HA ALA 9 HA ALA 9 5.044 1.002 -0.312 82 HB1 ALA 9 HB1 ALA 9 2.578 2.249 -0.358 83 HB2 ALA 9 HB2 ALA 9 3.261 2.726 1.197 84 HB3 ALA 9 HB3 ALA 9 4.150 3.044 -0.293 85 H ASP 10 H ASP 10 2.800 0.059 2.237 86 HA ASP 10 HA ASP 10 4.233 0.894 4.467 87 HB2 ASP 10 HB2 ASP 10 1.897 -0.089 4.410 88 HB3 ASP 10 HB3 ASP 10 2.654 -1.675 4.324 89 H VAL 11 H VAL 11 4.527 -2.079 2.574 90 HA VAL 11 HA VAL 11 6.400 -3.369 4.241 91 HB VAL 11 HB VAL 11 6.027 -3.682 1.259 92 HG11 VAL 11 HG11 VAL 11 7.722 -5.040 3.245 93 HG12 VAL 11 HG12 VAL 11 6.826 -6.099 2.157 94 HG13 VAL 11 HG13 VAL 11 7.919 -4.880 1.499 95 HG21 VAL 11 HG21 VAL 11 4.905 -5.839 2.665 96 HG22 VAL 11 HG22 VAL 11 4.341 -4.376 3.471 97 HG23 VAL 11 HG23 VAL 11 4.060 -4.595 1.744 98 H ALA 12 H ALA 12 6.882 -1.532 1.221 99 HA ALA 12 HA ALA 12 8.672 -0.392 0.401 100 HB1 ALA 12 HB1 ALA 12 9.709 1.016 1.840 101 HB2 ALA 12 HB2 ALA 12 8.451 0.443 2.936 102 HB3 ALA 12 HB3 ALA 12 10.067 -0.259 3.004 103 H LEU 13 H LEU 13 8.751 -3.249 0.399 104 HA LEU 13 HA LEU 13 10.165 -4.983 -0.012 105 HB2 LEU 13 HB2 LEU 13 11.984 -2.649 -0.542 106 HB3 LEU 13 HB3 LEU 13 12.475 -4.320 -0.812 107 HG LEU 13 HG LEU 13 10.276 -4.341 -2.293 108 HD11 LEU 13 HD11 LEU 13 10.682 -1.873 -3.434 109 HD12 LEU 13 HD12 LEU 13 9.323 -2.330 -2.406 110 HD13 LEU 13 HD13 LEU 13 10.728 -1.527 -1.707 111 HD21 LEU 13 HD21 LEU 13 11.732 -3.641 -4.226 112 HD22 LEU 13 HD22 LEU 13 12.982 -3.257 -3.044 113 HD23 LEU 13 HD23 LEU 13 12.392 -4.912 -3.197 114 HN1 NH2 14 HN1 NH2 14 10.014 -5.626 2.223 115 HN2 NH2 14 HN2 NH2 14 11.356 -5.549 3.277 Start of MODEL 3 1 H1 ILE 1 H ILE 1 -9.061 -0.374 -4.013 2 HA ILE 1 HA ILE 1 -6.439 -0.993 -5.105 3 HB ILE 1 HB ILE 1 -7.999 1.586 -5.272 4 HG12 ILE 1 HG12 ILE 1 -8.193 0.597 -7.739 5 HG13 ILE 1 HG13 ILE 1 -8.059 -0.928 -6.872 6 HG21 ILE 1 HG21 ILE 1 -6.495 1.910 -7.289 7 HG22 ILE 1 HG22 ILE 1 -5.734 2.063 -5.705 8 HG23 ILE 1 HG23 ILE 1 -5.522 0.586 -6.648 9 HD11 ILE 1 HD11 ILE 1 -10.124 -0.766 -6.021 10 HD12 ILE 1 HD12 ILE 1 -9.992 0.971 -5.753 11 HD13 ILE 1 HD13 ILE 1 -10.378 0.354 -7.359 12 H PHE 2 H PHE 2 -7.849 1.468 -2.948 13 HA PHE 2 HA PHE 2 -5.496 2.745 -2.215 14 HB2 PHE 2 HB2 PHE 2 -8.163 2.397 -0.912 15 HB3 PHE 2 HB3 PHE 2 -6.852 3.106 0.025 16 HD1 PHE 2 HD1 PHE 2 -9.240 3.604 -2.650 17 HD2 PHE 2 HD2 PHE 2 -5.829 5.230 -0.692 18 HE1 PHE 2 HE1 PHE 2 -9.695 5.791 -3.681 19 HE2 PHE 2 HE2 PHE 2 -6.278 7.419 -1.719 20 HZ PHE 2 HZ PHE 2 -8.214 7.703 -3.216 21 H TRP 3 H TRP 3 -7.068 -0.065 -0.732 22 HA TRP 3 HA TRP 3 -5.272 -0.382 1.405 23 HB2 TRP 3 HB2 TRP 3 -7.561 -1.508 1.008 24 HB3 TRP 3 HB3 TRP 3 -6.663 -2.688 0.060 25 HD1 TRP 3 HD1 TRP 3 -4.798 -4.166 1.428 26 HE1 TRP 3 HE1 TRP 3 -4.773 -4.917 3.889 27 HE3 TRP 3 HE3 TRP 3 -8.218 -0.869 3.318 28 HZ2 TRP 3 HZ2 TRP 3 -6.036 -4.206 6.312 29 HZ3 TRP 3 HZ3 TRP 3 -8.754 -0.972 5.716 30 HH2 TRP 3 HH2 TRP 3 -7.686 -2.607 7.182 31 H LEU 4 H LEU 4 -5.420 -2.209 -1.661 32 HA LEU 4 HA LEU 4 -3.106 -3.684 -1.360 33 HB2 LEU 4 HB2 LEU 4 -4.908 -3.023 -3.476 34 HB3 LEU 4 HB3 LEU 4 -3.255 -2.939 -4.081 35 HG LEU 4 HG LEU 4 -4.334 -5.132 -4.455 36 HD11 LEU 4 HD11 LEU 4 -2.083 -5.426 -2.490 37 HD12 LEU 4 HD12 LEU 4 -2.448 -6.417 -3.902 38 HD13 LEU 4 HD13 LEU 4 -1.840 -4.774 -4.111 39 HD21 LEU 4 HD21 LEU 4 -5.231 -6.405 -2.823 40 HD22 LEU 4 HD22 LEU 4 -4.050 -5.889 -1.620 41 HD23 LEU 4 HD23 LEU 4 -5.421 -4.851 -2.011 42 H PHE 5 H PHE 5 -3.489 -0.402 -2.622 43 HA PHE 5 HA PHE 5 -0.790 -0.053 -3.398 44 HB2 PHE 5 HB2 PHE 5 -3.126 1.746 -2.944 45 HB3 PHE 5 HB3 PHE 5 -1.525 2.474 -3.022 46 HD1 PHE 5 HD1 PHE 5 -3.071 -0.342 -4.913 47 HD2 PHE 5 HD2 PHE 5 -1.308 3.529 -5.053 48 HE1 PHE 5 HE1 PHE 5 -3.176 -0.387 -7.370 49 HE2 PHE 5 HE2 PHE 5 -1.412 3.492 -7.511 50 HZ PHE 5 HZ PHE 5 -2.348 1.531 -8.673 51 H ARG 6 H ARG 6 -2.569 1.015 -0.504 52 HA ARG 6 HA ARG 6 -0.455 2.248 0.817 53 HB2 ARG 6 HB2 ARG 6 -2.993 0.949 1.730 54 HB3 ARG 6 HB3 ARG 6 -1.814 1.477 2.924 55 HG2 ARG 6 HG2 ARG 6 -2.677 3.387 0.810 56 HG3 ARG 6 HG3 ARG 6 -3.757 3.051 2.166 57 HD2 ARG 6 HD2 ARG 6 -2.549 4.867 2.934 58 HD3 ARG 6 HD3 ARG 6 -1.662 3.507 3.621 59 HE ARG 6 HE ARG 6 -0.646 4.333 1.074 60 HH11 ARG 6 HH11 ARG 6 -0.577 4.959 4.498 61 HH12 ARG 6 HH12 ARG 6 0.993 5.692 4.464 62 HH21 ARG 6 HH21 ARG 6 1.420 5.297 1.017 63 HH22 ARG 6 HH22 ARG 6 2.128 5.883 2.483 64 H GLY 7 H GLY 7 -1.463 -1.146 0.816 65 HA2 GLY 7 HA2 GLY 7 0.256 -2.087 2.814 66 HA3 GLY 7 HA3 GLY 7 -0.375 -3.052 1.488 67 H LYS 8 H LYS 8 0.769 -2.029 -0.712 68 HA LYS 8 HA LYS 8 3.314 -3.141 -0.744 69 HB2 LYS 8 HB2 LYS 8 1.688 -2.411 -2.679 70 HB3 LYS 8 HB3 LYS 8 2.631 -0.926 -2.637 71 HG2 LYS 8 HG2 LYS 8 4.676 -2.236 -3.007 72 HG3 LYS 8 HG3 LYS 8 3.698 -3.704 -3.106 73 HD2 LYS 8 HD2 LYS 8 3.971 -3.136 -5.335 74 HD3 LYS 8 HD3 LYS 8 2.408 -2.413 -4.951 75 HE2 LYS 8 HE2 LYS 8 3.566 -0.748 -6.127 76 HE3 LYS 8 HE3 LYS 8 3.710 -0.284 -4.432 77 HZ1 LYS 8 HZ1 LYS 8 5.842 -1.987 -5.333 78 HZ2 LYS 8 HZ2 LYS 8 5.768 -0.522 -6.176 79 HZ3 LYS 8 HZ3 LYS 8 5.912 -0.521 -4.491 80 H ALA 9 H ALA 9 2.310 0.183 -0.167 81 HA ALA 9 HA ALA 9 4.925 1.303 -0.217 82 HB1 ALA 9 HB1 ALA 9 3.353 2.940 1.401 83 HB2 ALA 9 HB2 ALA 9 3.647 3.118 -0.329 84 HB3 ALA 9 HB3 ALA 9 2.232 2.230 0.239 85 H ASP 10 H ASP 10 2.815 0.128 2.374 86 HA ASP 10 HA ASP 10 4.297 0.904 4.580 87 HB2 ASP 10 HB2 ASP 10 2.041 -0.140 4.664 88 HB3 ASP 10 HB3 ASP 10 2.776 -1.693 4.279 89 H VAL 11 H VAL 11 4.439 -2.279 2.969 90 HA VAL 11 HA VAL 11 6.647 -3.243 4.399 91 HB VAL 11 HB VAL 11 5.238 -4.751 3.135 92 HG11 VAL 11 HG11 VAL 11 6.363 -3.490 0.638 93 HG12 VAL 11 HG12 VAL 11 5.196 -4.808 0.724 94 HG13 VAL 11 HG13 VAL 11 4.744 -3.194 1.273 95 HG21 VAL 11 HG21 VAL 11 6.917 -6.153 2.182 96 HG22 VAL 11 HG22 VAL 11 7.984 -4.779 1.894 97 HG23 VAL 11 HG23 VAL 11 7.647 -5.305 3.545 98 H ALA 12 H ALA 12 6.437 -1.326 1.457 99 HA ALA 12 HA ALA 12 9.184 -1.530 0.751 100 HB1 ALA 12 HB1 ALA 12 6.896 0.170 -0.098 101 HB2 ALA 12 HB2 ALA 12 8.530 0.683 -0.518 102 HB3 ALA 12 HB3 ALA 12 7.935 -0.888 -1.052 103 H LEU 13 H LEU 13 10.762 -0.828 2.036 104 HA LEU 13 HA LEU 13 10.496 1.066 4.078 105 HB2 LEU 13 HB2 LEU 13 12.297 -0.657 3.847 106 HB3 LEU 13 HB3 LEU 13 13.035 0.366 2.616 107 HG LEU 13 HG LEU 13 12.524 1.484 5.339 108 HD11 LEU 13 HD11 LEU 13 14.290 0.463 6.340 109 HD12 LEU 13 HD12 LEU 13 13.785 -0.848 5.274 110 HD13 LEU 13 HD13 LEU 13 15.138 0.186 4.819 111 HD21 LEU 13 HD21 LEU 13 13.343 3.160 4.032 112 HD22 LEU 13 HD22 LEU 13 14.867 2.465 4.581 113 HD23 LEU 13 HD23 LEU 13 14.239 2.060 2.984 114 HN1 NH2 14 HN1 NH2 14 10.445 3.216 4.080 115 HN2 NH2 14 HN2 NH2 14 10.887 4.274 2.815 Start of MODEL 4 1 H1 ILE 1 H ILE 1 -5.647 -1.729 -4.880 2 HA ILE 1 HA ILE 1 -7.688 0.239 -4.983 3 HB ILE 1 HB ILE 1 -8.849 -0.444 -2.862 4 HG12 ILE 1 HG12 ILE 1 -7.714 -3.174 -3.491 5 HG13 ILE 1 HG13 ILE 1 -7.088 -2.127 -2.222 6 HG21 ILE 1 HG21 ILE 1 -9.451 -2.581 -4.820 7 HG22 ILE 1 HG22 ILE 1 -10.523 -1.414 -4.046 8 HG23 ILE 1 HG23 ILE 1 -9.513 -0.917 -5.403 9 HD11 ILE 1 HD11 ILE 1 -9.947 -3.035 -2.328 10 HD12 ILE 1 HD12 ILE 1 -8.677 -3.926 -1.489 11 HD13 ILE 1 HD13 ILE 1 -9.088 -2.288 -0.980 12 H PHE 2 H PHE 2 -7.854 1.323 -2.669 13 HA PHE 2 HA PHE 2 -5.377 2.408 -2.073 14 HB2 PHE 2 HB2 PHE 2 -6.421 3.367 -0.095 15 HB3 PHE 2 HB3 PHE 2 -7.539 3.436 -1.453 16 HD1 PHE 2 HD1 PHE 2 -6.908 2.094 1.849 17 HD2 PHE 2 HD2 PHE 2 -9.460 1.896 -1.552 18 HE1 PHE 2 HE1 PHE 2 -8.609 0.937 3.197 19 HE2 PHE 2 HE2 PHE 2 -11.166 0.739 -0.209 20 HZ PHE 2 HZ PHE 2 -10.741 0.256 2.169 21 H TRP 3 H TRP 3 -6.999 -0.376 -0.670 22 HA TRP 3 HA TRP 3 -5.312 -0.755 1.545 23 HB2 TRP 3 HB2 TRP 3 -7.541 -1.884 1.096 24 HB3 TRP 3 HB3 TRP 3 -6.679 -2.960 0.000 25 HD1 TRP 3 HD1 TRP 3 -5.289 -4.916 1.056 26 HE1 TRP 3 HE1 TRP 3 -5.024 -5.810 3.455 27 HE3 TRP 3 HE3 TRP 3 -7.460 -1.053 3.607 28 HZ2 TRP 3 HZ2 TRP 3 -5.652 -4.987 6.081 29 HZ3 TRP 3 HZ3 TRP 3 -7.588 -1.184 6.059 30 HH2 TRP 3 HH2 TRP 3 -6.703 -3.112 7.269 31 H LEU 4 H LEU 4 -5.061 -1.802 -1.809 32 HA LEU 4 HA LEU 4 -2.748 -3.438 -1.351 33 HB2 LEU 4 HB2 LEU 4 -4.127 -4.060 -3.162 34 HB3 LEU 4 HB3 LEU 4 -4.125 -2.426 -3.821 35 HG LEU 4 HG LEU 4 -1.684 -2.739 -4.324 36 HD11 LEU 4 HD11 LEU 4 -1.077 -5.233 -4.532 37 HD12 LEU 4 HD12 LEU 4 -0.959 -4.465 -2.950 38 HD13 LEU 4 HD13 LEU 4 -2.346 -5.486 -3.335 39 HD21 LEU 4 HD21 LEU 4 -2.106 -4.189 -6.292 40 HD22 LEU 4 HD22 LEU 4 -3.690 -4.579 -5.621 41 HD23 LEU 4 HD23 LEU 4 -3.314 -2.919 -6.083 42 H PHE 5 H PHE 5 -3.317 -0.272 -2.870 43 HA PHE 5 HA PHE 5 -0.683 0.313 -3.553 44 HB2 PHE 5 HB2 PHE 5 -2.577 1.640 -4.349 45 HB3 PHE 5 HB3 PHE 5 -2.881 2.216 -2.713 46 HD1 PHE 5 HD1 PHE 5 0.255 1.893 -4.700 47 HD2 PHE 5 HD2 PHE 5 -2.434 4.469 -2.639 48 HE1 PHE 5 HE1 PHE 5 1.776 3.788 -5.091 49 HE2 PHE 5 HE2 PHE 5 -0.918 6.368 -3.027 50 HZ PHE 5 HZ PHE 5 1.189 6.029 -4.257 51 H ARG 6 H ARG 6 -2.456 1.099 -0.574 52 HA ARG 6 HA ARG 6 -0.307 2.413 0.702 53 HB2 ARG 6 HB2 ARG 6 -2.756 2.543 1.328 54 HB3 ARG 6 HB3 ARG 6 -2.570 0.962 2.075 55 HG2 ARG 6 HG2 ARG 6 -0.965 1.834 3.639 56 HG3 ARG 6 HG3 ARG 6 -0.982 3.403 2.832 57 HD2 ARG 6 HD2 ARG 6 -3.315 2.101 4.232 58 HD3 ARG 6 HD3 ARG 6 -2.342 3.430 4.862 59 HE ARG 6 HE ARG 6 -4.463 3.601 2.947 60 HH11 ARG 6 HH11 ARG 6 -1.502 5.075 4.037 61 HH12 ARG 6 HH12 ARG 6 -1.908 6.646 3.430 62 HH21 ARG 6 HH21 ARG 6 -5.008 5.666 2.144 63 HH22 ARG 6 HH22 ARG 6 -3.903 6.982 2.354 64 H GLY 7 H GLY 7 -1.528 -0.921 0.957 65 HA2 GLY 7 HA2 GLY 7 0.232 -1.862 2.894 66 HA3 GLY 7 HA3 GLY 7 -0.497 -2.854 1.639 67 H LYS 8 H LYS 8 0.617 -2.042 -0.645 68 HA LYS 8 HA LYS 8 3.101 -3.274 -0.696 69 HB2 LYS 8 HB2 LYS 8 1.806 -1.318 -2.590 70 HB3 LYS 8 HB3 LYS 8 3.368 -2.054 -2.929 71 HG2 LYS 8 HG2 LYS 8 1.060 -3.810 -2.252 72 HG3 LYS 8 HG3 LYS 8 1.162 -3.097 -3.863 73 HD2 LYS 8 HD2 LYS 8 2.312 -5.039 -4.226 74 HD3 LYS 8 HD3 LYS 8 3.643 -3.998 -3.716 75 HE2 LYS 8 HE2 LYS 8 3.848 -5.025 -1.681 76 HE3 LYS 8 HE3 LYS 8 2.149 -5.495 -1.626 77 HZ1 LYS 8 HZ1 LYS 8 3.394 -7.456 -1.947 78 HZ2 LYS 8 HZ2 LYS 8 2.694 -7.106 -3.447 79 HZ3 LYS 8 HZ3 LYS 8 4.329 -6.769 -3.177 80 H ALA 9 H ALA 9 2.279 0.117 -0.256 81 HA ALA 9 HA ALA 9 4.978 1.055 -0.428 82 HB1 ALA 9 HB1 ALA 9 3.696 3.042 0.881 83 HB2 ALA 9 HB2 ALA 9 3.668 2.832 -0.872 84 HB3 ALA 9 HB3 ALA 9 2.335 2.226 0.111 85 H ASP 10 H ASP 10 2.804 0.111 2.176 86 HA ASP 10 HA ASP 10 4.321 1.046 4.342 87 HB2 ASP 10 HB2 ASP 10 2.028 0.335 4.651 88 HB3 ASP 10 HB3 ASP 10 2.430 -1.305 4.152 89 H VAL 11 H VAL 11 4.175 -2.246 2.975 90 HA VAL 11 HA VAL 11 6.141 -3.416 4.533 91 HB VAL 11 HB VAL 11 6.499 -4.987 2.610 92 HG11 VAL 11 HG11 VAL 11 3.678 -5.148 2.591 93 HG12 VAL 11 HG12 VAL 11 4.817 -6.060 3.582 94 HG13 VAL 11 HG13 VAL 11 4.158 -4.535 4.174 95 HG21 VAL 11 HG21 VAL 11 4.938 -4.749 0.685 96 HG22 VAL 11 HG22 VAL 11 4.533 -3.135 1.269 97 HG23 VAL 11 HG23 VAL 11 6.180 -3.499 0.753 98 H ALA 12 H ALA 12 6.471 -1.490 1.597 99 HA ALA 12 HA ALA 12 9.139 -1.933 0.999 100 HB1 ALA 12 HB1 ALA 12 8.285 -0.643 -0.633 101 HB2 ALA 12 HB2 ALA 12 7.189 0.198 0.462 102 HB3 ALA 12 HB3 ALA 12 8.881 0.687 0.359 103 H LEU 13 H LEU 13 10.967 -1.569 2.060 104 HA LEU 13 HA LEU 13 12.430 -0.870 3.659 105 HB2 LEU 13 HB2 LEU 13 10.961 1.733 3.268 106 HB3 LEU 13 HB3 LEU 13 12.540 1.547 4.029 107 HG LEU 13 HG LEU 13 11.879 1.033 1.130 108 HD11 LEU 13 HD11 LEU 13 12.060 3.286 1.135 109 HD12 LEU 13 HD12 LEU 13 12.992 3.321 2.631 110 HD13 LEU 13 HD13 LEU 13 13.783 2.911 1.109 111 HD21 LEU 13 HD21 LEU 13 14.415 0.664 2.708 112 HD22 LEU 13 HD22 LEU 13 13.550 -0.528 1.738 113 HD23 LEU 13 HD23 LEU 13 14.384 0.810 0.950 114 HN1 NH2 14 HN1 NH2 14 10.229 -2.177 4.710 115 HN2 NH2 14 HN2 NH2 14 9.818 -1.554 6.246 Start of MODEL 5 1 H1 ILE 1 H ILE 1 -8.404 0.404 -6.293 2 HA ILE 1 HA ILE 1 -7.467 -1.031 -4.466 3 HB ILE 1 HB ILE 1 -5.233 -1.413 -5.483 4 HG12 ILE 1 HG12 ILE 1 -5.965 0.759 -7.444 5 HG13 ILE 1 HG13 ILE 1 -4.933 1.061 -6.052 6 HG21 ILE 1 HG21 ILE 1 -6.103 -2.505 -7.284 7 HG22 ILE 1 HG22 ILE 1 -7.598 -2.127 -6.428 8 HG23 ILE 1 HG23 ILE 1 -7.083 -1.127 -7.787 9 HD11 ILE 1 HD11 ILE 1 -3.174 -0.024 -6.953 10 HD12 ILE 1 HD12 ILE 1 -4.185 -1.204 -7.787 11 HD13 ILE 1 HD13 ILE 1 -3.988 0.417 -8.453 12 H PHE 2 H PHE 2 -7.728 1.331 -3.091 13 HA PHE 2 HA PHE 2 -5.261 2.517 -2.361 14 HB2 PHE 2 HB2 PHE 2 -7.929 2.420 -0.947 15 HB3 PHE 2 HB3 PHE 2 -6.562 3.380 -0.391 16 HD1 PHE 2 HD1 PHE 2 -9.459 3.345 -2.402 17 HD2 PHE 2 HD2 PHE 2 -5.572 5.055 -2.110 18 HE1 PHE 2 HE1 PHE 2 -10.162 5.186 -3.877 19 HE2 PHE 2 HE2 PHE 2 -6.269 6.897 -3.583 20 HZ PHE 2 HZ PHE 2 -8.566 6.966 -4.468 21 H TRP 3 H TRP 3 -7.293 0.079 -0.751 22 HA TRP 3 HA TRP 3 -5.755 -0.366 1.497 23 HB2 TRP 3 HB2 TRP 3 -7.453 -2.267 -0.121 24 HB3 TRP 3 HB3 TRP 3 -6.712 -2.720 1.411 25 HD1 TRP 3 HD1 TRP 3 -9.246 -0.140 0.031 26 HE1 TRP 3 HE1 TRP 3 -10.898 0.439 1.919 27 HE3 TRP 3 HE3 TRP 3 -7.106 -2.809 3.830 28 HZ2 TRP 3 HZ2 TRP 3 -11.248 -0.157 4.655 29 HZ3 TRP 3 HZ3 TRP 3 -8.162 -2.751 6.051 30 HH2 TRP 3 HH2 TRP 3 -10.189 -1.452 6.455 31 H LEU 4 H LEU 4 -5.471 -1.910 -1.689 32 HA LEU 4 HA LEU 4 -3.253 -3.541 -0.946 33 HB2 LEU 4 HB2 LEU 4 -4.568 -4.314 -2.737 34 HB3 LEU 4 HB3 LEU 4 -4.482 -2.765 -3.573 35 HG LEU 4 HG LEU 4 -2.107 -3.181 -4.062 36 HD11 LEU 4 HD11 LEU 4 -1.857 -5.929 -3.653 37 HD12 LEU 4 HD12 LEU 4 -0.996 -4.639 -2.812 38 HD13 LEU 4 HD13 LEU 4 -2.491 -5.289 -2.137 39 HD21 LEU 4 HD21 LEU 4 -3.950 -5.412 -4.917 40 HD22 LEU 4 HD22 LEU 4 -3.819 -3.827 -5.679 41 HD23 LEU 4 HD23 LEU 4 -2.452 -4.940 -5.719 42 H PHE 5 H PHE 5 -3.593 -0.472 -2.684 43 HA PHE 5 HA PHE 5 -0.960 -0.095 -3.463 44 HB2 PHE 5 HB2 PHE 5 -2.725 1.377 -4.231 45 HB3 PHE 5 HB3 PHE 5 -3.004 1.955 -2.592 46 HD1 PHE 5 HD1 PHE 5 -0.709 2.036 -5.457 47 HD2 PHE 5 HD2 PHE 5 -1.602 3.614 -1.607 48 HE1 PHE 5 HE1 PHE 5 0.916 3.846 -5.826 49 HE2 PHE 5 HE2 PHE 5 0.021 5.427 -1.969 50 HZ PHE 5 HZ PHE 5 1.282 5.546 -4.082 51 H ARG 6 H ARG 6 -2.518 1.082 -0.480 52 HA ARG 6 HA ARG 6 -0.287 2.231 0.700 53 HB2 ARG 6 HB2 ARG 6 -2.483 2.579 1.624 54 HB3 ARG 6 HB3 ARG 6 -2.662 0.864 1.969 55 HG2 ARG 6 HG2 ARG 6 -2.193 2.058 4.003 56 HG3 ARG 6 HG3 ARG 6 -0.821 1.026 3.596 57 HD2 ARG 6 HD2 ARG 6 0.271 3.016 2.557 58 HD3 ARG 6 HD3 ARG 6 -1.055 4.001 3.176 59 HE ARG 6 HE ARG 6 1.172 2.981 4.656 60 HH11 ARG 6 HH11 ARG 6 -2.158 3.969 4.873 61 HH12 ARG 6 HH12 ARG 6 -2.068 4.363 6.558 62 HH21 ARG 6 HH21 ARG 6 1.305 3.495 6.876 63 HH22 ARG 6 HH22 ARG 6 -0.098 4.094 7.696 64 H GLY 7 H GLY 7 -1.344 -1.134 0.685 65 HA2 GLY 7 HA2 GLY 7 0.314 -2.201 2.630 66 HA3 GLY 7 HA3 GLY 7 -0.215 -3.067 1.194 67 H LYS 8 H LYS 8 1.034 -1.947 -0.855 68 HA LYS 8 HA LYS 8 3.617 -2.963 -0.770 69 HB2 LYS 8 HB2 LYS 8 2.113 -2.271 -2.786 70 HB3 LYS 8 HB3 LYS 8 2.902 -0.708 -2.618 71 HG2 LYS 8 HG2 LYS 8 4.510 -3.221 -2.842 72 HG3 LYS 8 HG3 LYS 8 3.871 -2.413 -4.276 73 HD2 LYS 8 HD2 LYS 8 4.959 -0.295 -3.114 74 HD3 LYS 8 HD3 LYS 8 5.975 -1.531 -2.367 75 HE2 LYS 8 HE2 LYS 8 6.917 -2.156 -4.367 76 HE3 LYS 8 HE3 LYS 8 5.529 -1.619 -5.312 77 HZ1 LYS 8 HZ1 LYS 8 6.993 0.027 -5.800 78 HZ2 LYS 8 HZ2 LYS 8 6.317 0.706 -4.406 79 HZ3 LYS 8 HZ3 LYS 8 7.811 -0.083 -4.323 80 H ALA 9 H ALA 9 2.481 0.348 -0.266 81 HA ALA 9 HA ALA 9 5.032 1.549 -0.082 82 HB1 ALA 9 HB1 ALA 9 2.880 2.758 -0.458 83 HB2 ALA 9 HB2 ALA 9 2.501 2.502 1.245 84 HB3 ALA 9 HB3 ALA 9 3.905 3.467 0.789 85 H ASP 10 H ASP 10 2.926 0.019 2.288 86 HA ASP 10 HA ASP 10 4.343 0.822 4.597 87 HB2 ASP 10 HB2 ASP 10 2.063 -0.032 4.735 88 HB3 ASP 10 HB3 ASP 10 2.592 -1.601 4.132 89 H VAL 11 H VAL 11 4.353 -2.304 2.876 90 HA VAL 11 HA VAL 11 6.409 -3.493 4.338 91 HB VAL 11 HB VAL 11 6.727 -4.977 2.365 92 HG11 VAL 11 HG11 VAL 11 5.104 -6.042 3.460 93 HG12 VAL 11 HG12 VAL 11 4.277 -4.534 3.854 94 HG13 VAL 11 HG13 VAL 11 3.982 -5.323 2.303 95 HG21 VAL 11 HG21 VAL 11 5.108 -4.677 0.473 96 HG22 VAL 11 HG22 VAL 11 4.763 -3.069 1.109 97 HG23 VAL 11 HG23 VAL 11 6.388 -3.467 0.550 98 H ALA 12 H ALA 12 6.520 -1.368 1.535 99 HA ALA 12 HA ALA 12 9.382 -0.986 1.997 100 HB1 ALA 12 HB1 ALA 12 8.324 -2.443 -0.211 101 HB2 ALA 12 HB2 ALA 12 9.039 -0.945 -0.808 102 HB3 ALA 12 HB3 ALA 12 10.005 -2.060 0.160 103 H LEU 13 H LEU 13 9.870 1.107 2.043 104 HA LEU 13 HA LEU 13 7.893 3.085 1.448 105 HB2 LEU 13 HB2 LEU 13 9.462 4.676 2.261 106 HB3 LEU 13 HB3 LEU 13 9.551 3.252 3.295 107 HG LEU 13 HG LEU 13 11.552 2.664 1.638 108 HD11 LEU 13 HD11 LEU 13 12.230 4.324 0.339 109 HD12 LEU 13 HD12 LEU 13 10.885 5.314 0.905 110 HD13 LEU 13 HD13 LEU 13 12.432 5.365 1.748 111 HD21 LEU 13 HD21 LEU 13 12.933 4.195 3.343 112 HD22 LEU 13 HD22 LEU 13 11.376 4.179 4.173 113 HD23 LEU 13 HD23 LEU 13 12.197 2.661 3.809 114 HN1 NH2 14 HN1 NH2 14 10.841 1.942 -0.100 115 HN2 NH2 14 HN2 NH2 14 10.705 2.814 -1.563 Start of MODEL 6 1 H1 ILE 1 H ILE 1 -8.850 0.325 -3.958 2 HA ILE 1 HA ILE 1 -6.430 -0.903 -5.108 3 HB ILE 1 HB ILE 1 -7.501 0.487 -6.784 4 HG12 ILE 1 HG12 ILE 1 -5.213 2.164 -5.811 5 HG13 ILE 1 HG13 ILE 1 -4.927 0.497 -6.297 6 HG21 ILE 1 HG21 ILE 1 -7.226 2.788 -4.858 7 HG22 ILE 1 HG22 ILE 1 -7.936 2.827 -6.471 8 HG23 ILE 1 HG23 ILE 1 -8.732 1.929 -5.178 9 HD11 ILE 1 HD11 ILE 1 -6.208 1.222 -8.452 10 HD12 ILE 1 HD12 ILE 1 -5.732 2.841 -7.938 11 HD13 ILE 1 HD13 ILE 1 -4.501 1.614 -8.244 12 H PHE 2 H PHE 2 -7.751 1.539 -2.949 13 HA PHE 2 HA PHE 2 -5.372 2.726 -2.099 14 HB2 PHE 2 HB2 PHE 2 -7.952 2.271 -0.589 15 HB3 PHE 2 HB3 PHE 2 -6.651 3.318 -0.034 16 HD1 PHE 2 HD1 PHE 2 -9.231 2.852 -2.617 17 HD2 PHE 2 HD2 PHE 2 -6.343 5.490 -0.939 18 HE1 PHE 2 HE1 PHE 2 -10.189 4.716 -3.906 19 HE2 PHE 2 HE2 PHE 2 -7.297 7.358 -2.225 20 HZ PHE 2 HZ PHE 2 -9.221 6.973 -3.713 21 H TRP 3 H TRP 3 -7.183 0.053 -0.589 22 HA TRP 3 HA TRP 3 -5.404 -0.481 1.481 23 HB2 TRP 3 HB2 TRP 3 -6.396 -2.790 1.449 24 HB3 TRP 3 HB3 TRP 3 -7.580 -1.487 1.498 25 HD1 TRP 3 HD1 TRP 3 -9.207 -1.231 -0.564 26 HE1 TRP 3 HE1 TRP 3 -9.714 -2.725 -2.597 27 HE3 TRP 3 HE3 TRP 3 -5.249 -4.448 -0.215 28 HZ2 TRP 3 HZ2 TRP 3 -8.586 -4.971 -3.883 29 HZ3 TRP 3 HZ3 TRP 3 -5.037 -6.242 -1.887 30 HH2 TRP 3 HH2 TRP 3 -6.671 -6.496 -3.681 31 H LEU 4 H LEU 4 -5.367 -1.538 -1.874 32 HA LEU 4 HA LEU 4 -3.304 -3.459 -1.598 33 HB2 LEU 4 HB2 LEU 4 -4.998 -3.004 -3.536 34 HB3 LEU 4 HB3 LEU 4 -3.731 -1.933 -4.127 35 HG LEU 4 HG LEU 4 -3.274 -4.852 -3.547 36 HD11 LEU 4 HD11 LEU 4 -4.693 -5.178 -5.272 37 HD12 LEU 4 HD12 LEU 4 -4.519 -3.529 -5.873 38 HD13 LEU 4 HD13 LEU 4 -3.277 -4.731 -6.226 39 HD21 LEU 4 HD21 LEU 4 -1.668 -2.607 -4.560 40 HD22 LEU 4 HD22 LEU 4 -1.168 -4.085 -3.739 41 HD23 LEU 4 HD23 LEU 4 -1.521 -4.112 -5.467 42 H PHE 5 H PHE 5 -3.205 -0.180 -3.009 43 HA PHE 5 HA PHE 5 -0.465 0.005 -3.344 44 HB2 PHE 5 HB2 PHE 5 -2.335 1.629 -4.076 45 HB3 PHE 5 HB3 PHE 5 -2.117 2.371 -2.494 46 HD1 PHE 5 HD1 PHE 5 -0.260 1.418 -5.567 47 HD2 PHE 5 HD2 PHE 5 -0.477 3.977 -2.171 48 HE1 PHE 5 HE1 PHE 5 1.611 2.747 -6.453 49 HE2 PHE 5 HE2 PHE 5 1.393 5.311 -3.054 50 HZ PHE 5 HZ PHE 5 2.440 4.696 -5.196 51 H ARG 6 H ARG 6 -2.388 1.092 -0.551 52 HA ARG 6 HA ARG 6 -0.344 2.073 1.028 53 HB2 ARG 6 HB2 ARG 6 -2.958 0.752 1.705 54 HB3 ARG 6 HB3 ARG 6 -1.862 1.289 2.971 55 HG2 ARG 6 HG2 ARG 6 -2.869 3.107 0.801 56 HG3 ARG 6 HG3 ARG 6 -3.696 2.890 2.344 57 HD2 ARG 6 HD2 ARG 6 -1.330 3.430 3.334 58 HD3 ARG 6 HD3 ARG 6 -1.068 4.173 1.757 59 HE ARG 6 HE ARG 6 -2.709 5.168 3.883 60 HH11 ARG 6 HH11 ARG 6 -2.252 5.130 0.433 61 HH12 ARG 6 HH12 ARG 6 -3.064 6.638 0.176 62 HH21 ARG 6 HH21 ARG 6 -3.780 7.155 3.559 63 HH22 ARG 6 HH22 ARG 6 -3.932 7.790 1.957 64 H GLY 7 H GLY 7 -1.567 -1.260 0.839 65 HA2 GLY 7 HA2 GLY 7 -0.016 -2.422 2.821 66 HA3 GLY 7 HA3 GLY 7 -0.572 -3.258 1.379 67 H LYS 8 H LYS 8 0.783 -2.186 -0.646 68 HA LYS 8 HA LYS 8 3.337 -3.335 -0.430 69 HB2 LYS 8 HB2 LYS 8 2.138 -1.452 -2.458 70 HB3 LYS 8 HB3 LYS 8 3.759 -2.115 -2.624 71 HG2 LYS 8 HG2 LYS 8 1.334 -3.855 -2.298 72 HG3 LYS 8 HG3 LYS 8 1.905 -3.299 -3.872 73 HD2 LYS 8 HD2 LYS 8 3.835 -4.557 -3.767 74 HD3 LYS 8 HD3 LYS 8 3.826 -4.614 -2.001 75 HE2 LYS 8 HE2 LYS 8 1.732 -5.987 -3.666 76 HE3 LYS 8 HE3 LYS 8 3.254 -6.767 -3.239 77 HZ1 LYS 8 HZ1 LYS 8 1.052 -5.928 -1.465 78 HZ2 LYS 8 HZ2 LYS 8 1.809 -7.437 -1.579 79 HZ3 LYS 8 HZ3 LYS 8 2.617 -6.138 -0.855 80 H ALA 9 H ALA 9 2.355 0.085 -0.538 81 HA ALA 9 HA ALA 9 4.863 1.251 -0.358 82 HB1 ALA 9 HB1 ALA 9 3.783 3.242 0.229 83 HB2 ALA 9 HB2 ALA 9 2.583 2.356 -0.712 84 HB3 ALA 9 HB3 ALA 9 2.472 2.395 1.047 85 H ASP 10 H ASP 10 2.769 0.034 2.213 86 HA ASP 10 HA ASP 10 4.203 0.986 4.413 87 HB2 ASP 10 HB2 ASP 10 2.042 0.086 4.810 88 HB3 ASP 10 HB3 ASP 10 2.459 -1.446 4.044 89 H VAL 11 H VAL 11 4.641 -1.913 2.455 90 HA VAL 11 HA VAL 11 6.457 -3.312 3.999 91 HB VAL 11 HB VAL 11 6.512 -3.056 0.990 92 HG11 VAL 11 HG11 VAL 11 8.532 -4.072 1.991 93 HG12 VAL 11 HG12 VAL 11 7.510 -5.287 2.757 94 HG13 VAL 11 HG13 VAL 11 7.614 -5.204 0.999 95 HG21 VAL 11 HG21 VAL 11 4.867 -4.743 2.846 96 HG22 VAL 11 HG22 VAL 11 4.336 -3.744 1.493 97 HG23 VAL 11 HG23 VAL 11 5.199 -5.252 1.190 98 H ALA 12 H ALA 12 7.217 -0.936 1.450 99 HA ALA 12 HA ALA 12 9.692 -0.294 2.892 100 HB1 ALA 12 HB1 ALA 12 10.540 -0.006 0.350 101 HB2 ALA 12 HB2 ALA 12 10.782 -1.468 1.306 102 HB3 ALA 12 HB3 ALA 12 9.441 -1.372 0.163 103 H LEU 13 H LEU 13 9.479 1.768 3.460 104 HA LEU 13 HA LEU 13 7.887 3.604 1.896 105 HB2 LEU 13 HB2 LEU 13 8.329 5.194 3.669 106 HB3 LEU 13 HB3 LEU 13 7.796 3.652 4.333 107 HG LEU 13 HG LEU 13 10.423 3.279 4.542 108 HD11 LEU 13 HD11 LEU 13 10.660 5.997 5.434 109 HD12 LEU 13 HD12 LEU 13 11.693 5.085 4.332 110 HD13 LEU 13 HD13 LEU 13 10.286 5.951 3.711 111 HD21 LEU 13 HD21 LEU 13 9.073 5.032 6.563 112 HD22 LEU 13 HD22 LEU 13 8.543 3.371 6.296 113 HD23 LEU 13 HD23 LEU 13 10.194 3.695 6.821 114 HN1 NH2 14 HN1 NH2 14 11.291 3.079 2.646 115 HN2 NH2 14 HN2 NH2 14 11.959 4.191 1.535 Start of MODEL 7 1 H1 ILE 1 H ILE 1 -5.982 -1.095 -6.037 2 HA ILE 1 HA ILE 1 -8.183 0.375 -4.746 3 HB ILE 1 HB ILE 1 -6.960 -2.242 -3.868 4 HG12 ILE 1 HG12 ILE 1 -9.435 -2.939 -4.567 5 HG13 ILE 1 HG13 ILE 1 -9.238 -1.584 -5.673 6 HG21 ILE 1 HG21 ILE 1 -9.545 -1.867 -2.824 7 HG22 ILE 1 HG22 ILE 1 -8.013 -1.871 -1.951 8 HG23 ILE 1 HG23 ILE 1 -8.672 -0.355 -2.569 9 HD11 ILE 1 HD11 ILE 1 -6.970 -3.414 -5.649 10 HD12 ILE 1 HD12 ILE 1 -8.485 -4.153 -6.166 11 HD13 ILE 1 HD13 ILE 1 -7.868 -2.729 -7.003 12 H PHE 2 H PHE 2 -7.803 1.583 -2.973 13 HA PHE 2 HA PHE 2 -5.233 2.492 -2.382 14 HB2 PHE 2 HB2 PHE 2 -7.865 2.673 -0.949 15 HB3 PHE 2 HB3 PHE 2 -6.402 3.299 -0.195 16 HD1 PHE 2 HD1 PHE 2 -8.281 3.485 -3.409 17 HD2 PHE 2 HD2 PHE 2 -5.813 5.487 -0.578 18 HE1 PHE 2 HE1 PHE 2 -8.531 5.579 -4.676 19 HE2 PHE 2 HE2 PHE 2 -6.061 7.585 -1.840 20 HZ PHE 2 HZ PHE 2 -7.420 7.632 -3.892 21 H TRP 3 H TRP 3 -7.158 -0.056 -0.908 22 HA TRP 3 HA TRP 3 -5.663 -0.524 1.387 23 HB2 TRP 3 HB2 TRP 3 -7.854 -1.586 0.851 24 HB3 TRP 3 HB3 TRP 3 -7.031 -2.616 -0.317 25 HD1 TRP 3 HD1 TRP 3 -7.006 -1.917 3.493 26 HE1 TRP 3 HE1 TRP 3 -6.330 -4.093 4.694 27 HE3 TRP 3 HE3 TRP 3 -6.026 -4.830 -0.591 28 HZ2 TRP 3 HZ2 TRP 3 -5.492 -6.697 4.002 29 HZ3 TRP 3 HZ3 TRP 3 -5.292 -7.151 -0.237 30 HH2 TRP 3 HH2 TRP 3 -5.030 -8.064 2.014 31 H LEU 4 H LEU 4 -5.195 -1.748 -1.900 32 HA LEU 4 HA LEU 4 -2.925 -3.352 -1.180 33 HB2 LEU 4 HB2 LEU 4 -4.193 -4.109 -3.020 34 HB3 LEU 4 HB3 LEU 4 -4.149 -2.528 -3.797 35 HG LEU 4 HG LEU 4 -1.810 -2.819 -4.342 36 HD11 LEU 4 HD11 LEU 4 -0.626 -4.043 -2.891 37 HD12 LEU 4 HD12 LEU 4 -2.026 -5.000 -2.404 38 HD13 LEU 4 HD13 LEU 4 -1.138 -5.416 -3.870 39 HD21 LEU 4 HD21 LEU 4 -3.053 -5.424 -5.110 40 HD22 LEU 4 HD22 LEU 4 -3.758 -3.912 -5.680 41 HD23 LEU 4 HD23 LEU 4 -2.088 -4.312 -6.080 42 H PHE 5 H PHE 5 -3.426 -0.224 -2.760 43 HA PHE 5 HA PHE 5 -0.798 0.325 -3.488 44 HB2 PHE 5 HB2 PHE 5 -3.204 1.976 -2.892 45 HB3 PHE 5 HB3 PHE 5 -1.650 2.801 -2.958 46 HD1 PHE 5 HD1 PHE 5 -3.276 0.091 -4.948 47 HD2 PHE 5 HD2 PHE 5 -1.323 3.873 -4.951 48 HE1 PHE 5 HE1 PHE 5 -3.426 0.164 -7.404 49 HE2 PHE 5 HE2 PHE 5 -1.469 3.952 -7.405 50 HZ PHE 5 HZ PHE 5 -2.520 2.095 -8.636 51 H ARG 6 H ARG 6 -2.437 0.749 -0.399 52 HA ARG 6 HA ARG 6 -0.181 2.065 0.822 53 HB2 ARG 6 HB2 ARG 6 -2.507 2.549 1.513 54 HB3 ARG 6 HB3 ARG 6 -2.661 0.897 2.097 55 HG2 ARG 6 HG2 ARG 6 -1.326 1.267 3.922 56 HG3 ARG 6 HG3 ARG 6 -0.452 2.590 3.148 57 HD2 ARG 6 HD2 ARG 6 -3.365 2.847 3.802 58 HD3 ARG 6 HD3 ARG 6 -2.136 3.130 5.035 59 HE ARG 6 HE ARG 6 -2.846 4.873 2.897 60 HH11 ARG 6 HH11 ARG 6 -0.183 3.829 4.882 61 HH12 ARG 6 HH12 ARG 6 0.698 5.310 4.708 62 HH21 ARG 6 HH21 ARG 6 -1.695 6.828 2.659 63 HH22 ARG 6 HH22 ARG 6 -0.164 7.015 3.443 64 H GLY 7 H GLY 7 -1.625 -1.165 0.866 65 HA2 GLY 7 HA2 GLY 7 -0.097 -2.313 2.893 66 HA3 GLY 7 HA3 GLY 7 -0.777 -3.191 1.529 67 H LYS 8 H LYS 8 0.683 -1.835 -0.515 68 HA LYS 8 HA LYS 8 3.104 -3.353 -0.412 69 HB2 LYS 8 HB2 LYS 8 1.628 -2.711 -2.465 70 HB3 LYS 8 HB3 LYS 8 2.564 -1.223 -2.455 71 HG2 LYS 8 HG2 LYS 8 3.652 -2.625 -3.979 72 HG3 LYS 8 HG3 LYS 8 4.630 -2.697 -2.512 73 HD2 LYS 8 HD2 LYS 8 3.896 -4.845 -1.983 74 HD3 LYS 8 HD3 LYS 8 2.471 -4.716 -3.017 75 HE2 LYS 8 HE2 LYS 8 5.325 -4.848 -3.988 76 HE3 LYS 8 HE3 LYS 8 4.199 -6.205 -3.955 77 HZ1 LYS 8 HZ1 LYS 8 4.461 -4.140 -5.887 78 HZ2 LYS 8 HZ2 LYS 8 3.564 -5.572 -5.968 79 HZ3 LYS 8 HZ3 LYS 8 2.882 -4.185 -5.279 80 H ALA 9 H ALA 9 2.348 0.118 -0.388 81 HA ALA 9 HA ALA 9 4.971 1.080 -0.310 82 HB1 ALA 9 HB1 ALA 9 3.544 2.796 -0.704 83 HB2 ALA 9 HB2 ALA 9 2.305 2.162 0.379 84 HB3 ALA 9 HB3 ALA 9 3.706 3.004 1.039 85 H ASP 10 H ASP 10 2.830 -0.000 2.274 86 HA ASP 10 HA ASP 10 4.215 0.885 4.496 87 HB2 ASP 10 HB2 ASP 10 2.624 -1.641 4.055 88 HB3 ASP 10 HB3 ASP 10 3.265 -1.182 5.630 89 H VAL 11 H VAL 11 4.775 -2.007 2.539 90 HA VAL 11 HA VAL 11 6.796 -3.128 4.161 91 HB VAL 11 HB VAL 11 6.498 -3.452 1.173 92 HG11 VAL 11 HG11 VAL 11 8.594 -4.314 2.018 93 HG12 VAL 11 HG12 VAL 11 7.751 -5.202 3.287 94 HG13 VAL 11 HG13 VAL 11 7.529 -5.656 1.597 95 HG21 VAL 11 HG21 VAL 11 4.424 -4.147 1.779 96 HG22 VAL 11 HG22 VAL 11 5.303 -5.632 2.148 97 HG23 VAL 11 HG23 VAL 11 4.907 -4.498 3.439 98 H ALA 12 H ALA 12 6.881 -0.829 1.489 99 HA ALA 12 HA ALA 12 9.742 -0.765 1.332 100 HB1 ALA 12 HB1 ALA 12 7.873 -0.109 -0.431 101 HB2 ALA 12 HB2 ALA 12 8.120 1.486 0.279 102 HB3 ALA 12 HB3 ALA 12 9.476 0.627 -0.450 103 H LEU 13 H LEU 13 10.695 1.632 1.371 104 HA LEU 13 HA LEU 13 11.544 3.228 2.758 105 HB2 LEU 13 HB2 LEU 13 8.590 3.438 3.225 106 HB3 LEU 13 HB3 LEU 13 9.724 4.500 4.058 107 HG LEU 13 HG LEU 13 10.554 5.127 1.710 108 HD11 LEU 13 HD11 LEU 13 8.055 3.606 1.088 109 HD12 LEU 13 HD12 LEU 13 8.557 4.957 0.073 110 HD13 LEU 13 HD13 LEU 13 9.622 3.566 0.278 111 HD21 LEU 13 HD21 LEU 13 9.515 6.918 2.587 112 HD22 LEU 13 HD22 LEU 13 8.214 6.477 1.481 113 HD23 LEU 13 HD23 LEU 13 8.145 5.970 3.168 114 HN1 NH2 14 HN1 NH2 14 11.690 0.612 3.781 115 HN2 NH2 14 HN2 NH2 14 11.633 0.642 5.487 Start of MODEL 8 1 H1 ILE 1 H ILE 1 -6.616 -0.268 -6.233 2 HA ILE 1 HA ILE 1 -8.543 0.022 -4.048 3 HB ILE 1 HB ILE 1 -6.383 -2.066 -4.342 4 HG12 ILE 1 HG12 ILE 1 -9.317 -2.254 -5.060 5 HG13 ILE 1 HG13 ILE 1 -7.994 -2.156 -6.218 6 HG21 ILE 1 HG21 ILE 1 -7.448 -3.228 -2.598 7 HG22 ILE 1 HG22 ILE 1 -7.389 -1.549 -2.062 8 HG23 ILE 1 HG23 ILE 1 -8.890 -2.219 -2.696 9 HD11 ILE 1 HD11 ILE 1 -7.177 -4.277 -4.835 10 HD12 ILE 1 HD12 ILE 1 -8.914 -4.423 -4.567 11 HD13 ILE 1 HD13 ILE 1 -8.273 -4.394 -6.211 12 H PHE 2 H PHE 2 -7.947 1.713 -2.804 13 HA PHE 2 HA PHE 2 -5.403 2.669 -2.312 14 HB2 PHE 2 HB2 PHE 2 -6.341 3.767 -0.337 15 HB3 PHE 2 HB3 PHE 2 -7.461 3.869 -1.692 16 HD1 PHE 2 HD1 PHE 2 -6.932 2.676 1.668 17 HD2 PHE 2 HD2 PHE 2 -9.461 2.391 -1.744 18 HE1 PHE 2 HE1 PHE 2 -8.702 1.692 3.066 19 HE2 PHE 2 HE2 PHE 2 -11.234 1.408 -0.352 20 HZ PHE 2 HZ PHE 2 -10.855 1.055 2.057 21 H TRP 3 H TRP 3 -7.142 0.063 -0.716 22 HA TRP 3 HA TRP 3 -5.443 -0.303 1.480 23 HB2 TRP 3 HB2 TRP 3 -7.436 -1.971 0.038 24 HB3 TRP 3 HB3 TRP 3 -6.300 -2.811 1.092 25 HD1 TRP 3 HD1 TRP 3 -9.635 -1.647 1.288 26 HE1 TRP 3 HE1 TRP 3 -10.326 -0.970 3.673 27 HE3 TRP 3 HE3 TRP 3 -4.994 -1.248 3.397 28 HZ2 TRP 3 HZ2 TRP 3 -9.071 -0.348 6.124 29 HZ3 TRP 3 HZ3 TRP 3 -4.827 -0.607 5.766 30 HH2 TRP 3 HH2 TRP 3 -6.823 -0.166 7.099 31 H LEU 4 H LEU 4 -5.521 -2.229 -1.525 32 HA LEU 4 HA LEU 4 -3.212 -3.687 -1.097 33 HB2 LEU 4 HB2 LEU 4 -5.033 -3.314 -3.187 34 HB3 LEU 4 HB3 LEU 4 -3.450 -2.965 -3.877 35 HG LEU 4 HG LEU 4 -4.159 -5.306 -4.206 36 HD11 LEU 4 HD11 LEU 4 -1.813 -5.192 -2.331 37 HD12 LEU 4 HD12 LEU 4 -2.073 -6.275 -3.697 38 HD13 LEU 4 HD13 LEU 4 -1.750 -4.564 -3.977 39 HD21 LEU 4 HD21 LEU 4 -5.280 -5.266 -1.828 40 HD22 LEU 4 HD22 LEU 4 -4.636 -6.762 -2.504 41 HD23 LEU 4 HD23 LEU 4 -3.699 -5.857 -1.316 42 H PHE 5 H PHE 5 -3.557 -0.567 -2.765 43 HA PHE 5 HA PHE 5 -0.905 -0.207 -3.512 44 HB2 PHE 5 HB2 PHE 5 -2.606 1.263 -4.367 45 HB3 PHE 5 HB3 PHE 5 -3.009 1.822 -2.748 46 HD1 PHE 5 HD1 PHE 5 -0.389 1.873 -5.353 47 HD2 PHE 5 HD2 PHE 5 -1.853 3.610 -1.754 48 HE1 PHE 5 HE1 PHE 5 1.215 3.723 -5.596 49 HE2 PHE 5 HE2 PHE 5 -0.252 5.463 -1.992 50 HZ PHE 5 HZ PHE 5 1.286 5.520 -3.915 51 H ARG 6 H ARG 6 -2.538 0.894 -0.547 52 HA ARG 6 HA ARG 6 -0.373 2.135 0.668 53 HB2 ARG 6 HB2 ARG 6 -2.882 1.957 1.378 54 HB3 ARG 6 HB3 ARG 6 -2.337 0.557 2.292 55 HG2 ARG 6 HG2 ARG 6 -0.540 2.205 3.211 56 HG3 ARG 6 HG3 ARG 6 -1.679 3.439 2.669 57 HD2 ARG 6 HD2 ARG 6 -2.377 3.103 4.836 58 HD3 ARG 6 HD3 ARG 6 -3.420 1.985 3.961 59 HE ARG 6 HE ARG 6 -1.274 0.466 4.625 60 HH11 ARG 6 HH11 ARG 6 -3.439 2.508 6.431 61 HH12 ARG 6 HH12 ARG 6 -3.305 1.581 7.890 62 HH21 ARG 6 HH21 ARG 6 -1.089 -0.761 6.540 63 HH22 ARG 6 HH22 ARG 6 -1.967 -0.276 7.951 64 H GLY 7 H GLY 7 -1.354 -1.269 0.749 65 HA2 GLY 7 HA2 GLY 7 0.465 -2.205 2.642 66 HA3 GLY 7 HA3 GLY 7 -0.192 -3.164 1.323 67 H LYS 8 H LYS 8 0.896 -1.718 -0.836 68 HA LYS 8 HA LYS 8 3.419 -2.925 -1.064 69 HB2 LYS 8 HB2 LYS 8 1.909 -2.244 -2.957 70 HB3 LYS 8 HB3 LYS 8 2.407 -0.580 -2.679 71 HG2 LYS 8 HG2 LYS 8 3.809 -1.208 -4.382 72 HG3 LYS 8 HG3 LYS 8 4.809 -1.534 -2.965 73 HD2 LYS 8 HD2 LYS 8 3.781 -3.911 -3.101 74 HD3 LYS 8 HD3 LYS 8 3.378 -3.458 -4.758 75 HE2 LYS 8 HE2 LYS 8 6.156 -3.193 -3.636 76 HE3 LYS 8 HE3 LYS 8 5.583 -4.677 -4.397 77 HZ1 LYS 8 HZ1 LYS 8 5.159 -2.235 -5.908 78 HZ2 LYS 8 HZ2 LYS 8 6.773 -2.708 -5.726 79 HZ3 LYS 8 HZ3 LYS 8 5.657 -3.764 -6.435 80 H ALA 9 H ALA 9 2.458 0.337 -0.154 81 HA ALA 9 HA ALA 9 5.154 1.339 -0.095 82 HB1 ALA 9 HB1 ALA 9 2.543 2.481 0.878 83 HB2 ALA 9 HB2 ALA 9 4.086 3.327 0.998 84 HB3 ALA 9 HB3 ALA 9 3.431 2.907 -0.586 85 H ASP 10 H ASP 10 2.830 0.112 2.251 86 HA ASP 10 HA ASP 10 4.093 0.833 4.615 87 HB2 ASP 10 HB2 ASP 10 1.833 -0.234 4.411 88 HB3 ASP 10 HB3 ASP 10 2.640 -1.773 4.125 89 H VAL 11 H VAL 11 4.386 -2.300 2.927 90 HA VAL 11 HA VAL 11 6.360 -3.425 4.489 91 HB VAL 11 HB VAL 11 7.014 -4.736 2.462 92 HG11 VAL 11 HG11 VAL 11 4.888 -5.901 2.257 93 HG12 VAL 11 HG12 VAL 11 5.184 -5.442 3.935 94 HG13 VAL 11 HG13 VAL 11 4.046 -4.516 2.954 95 HG21 VAL 11 HG21 VAL 11 5.565 -4.420 0.441 96 HG22 VAL 11 HG22 VAL 11 5.028 -2.894 1.143 97 HG23 VAL 11 HG23 VAL 11 6.727 -3.124 0.728 98 H ALA 12 H ALA 12 6.677 -1.114 1.856 99 HA ALA 12 HA ALA 12 9.548 -1.239 1.804 100 HB1 ALA 12 HB1 ALA 12 9.022 -0.479 -0.231 101 HB2 ALA 12 HB2 ALA 12 7.446 0.110 0.297 102 HB3 ALA 12 HB3 ALA 12 8.883 1.102 0.539 103 H LEU 13 H LEU 13 10.298 -0.749 3.854 104 HA LEU 13 HA LEU 13 9.469 1.691 5.171 105 HB2 LEU 13 HB2 LEU 13 11.293 -0.578 5.842 106 HB3 LEU 13 HB3 LEU 13 11.417 0.935 6.741 107 HG LEU 13 HG LEU 13 8.864 0.601 7.131 108 HD11 LEU 13 HD11 LEU 13 8.516 -1.964 7.387 109 HD12 LEU 13 HD12 LEU 13 8.261 -1.195 5.821 110 HD13 LEU 13 HD13 LEU 13 9.759 -2.069 6.140 111 HD21 LEU 13 HD21 LEU 13 11.134 -0.821 8.470 112 HD22 LEU 13 HD22 LEU 13 10.223 0.590 9.011 113 HD23 LEU 13 HD23 LEU 13 9.481 -1.009 9.057 114 HN1 NH2 14 HN1 NH2 14 10.148 3.275 3.680 115 HN2 NH2 14 HN2 NH2 14 11.778 3.740 3.478 Start of MODEL 9 1 H1 ILE 1 H ILE 1 -6.084 -0.831 -6.672 2 HA ILE 1 HA ILE 1 -7.903 0.261 -4.841 3 HB ILE 1 HB ILE 1 -6.137 -2.154 -4.422 4 HG12 ILE 1 HG12 ILE 1 -7.379 -2.342 -6.515 5 HG13 ILE 1 HG13 ILE 1 -8.046 -3.443 -5.314 6 HG21 ILE 1 HG21 ILE 1 -8.609 -1.138 -3.067 7 HG22 ILE 1 HG22 ILE 1 -8.191 -2.851 -3.044 8 HG23 ILE 1 HG23 ILE 1 -7.086 -1.664 -2.350 9 HD11 ILE 1 HD11 ILE 1 -9.864 -1.877 -4.888 10 HD12 ILE 1 HD12 ILE 1 -9.194 -0.771 -6.088 11 HD13 ILE 1 HD13 ILE 1 -9.800 -2.351 -6.585 12 H PHE 2 H PHE 2 -7.695 1.229 -2.897 13 HA PHE 2 HA PHE 2 -5.197 2.393 -2.198 14 HB2 PHE 2 HB2 PHE 2 -7.922 2.348 -0.939 15 HB3 PHE 2 HB3 PHE 2 -6.551 3.026 -0.065 16 HD1 PHE 2 HD1 PHE 2 -9.126 3.670 -2.400 17 HD2 PHE 2 HD2 PHE 2 -5.184 4.838 -1.299 18 HE1 PHE 2 HE1 PHE 2 -9.430 5.802 -3.590 19 HE2 PHE 2 HE2 PHE 2 -5.482 6.973 -2.485 20 HZ PHE 2 HZ PHE 2 -7.607 7.458 -3.631 21 H TRP 3 H TRP 3 -7.161 -0.198 -0.787 22 HA TRP 3 HA TRP 3 -5.641 -0.706 1.485 23 HB2 TRP 3 HB2 TRP 3 -7.226 -2.626 -0.234 24 HB3 TRP 3 HB3 TRP 3 -6.589 -3.017 1.361 25 HD1 TRP 3 HD1 TRP 3 -7.380 -0.442 2.966 26 HE1 TRP 3 HE1 TRP 3 -9.853 0.082 3.449 27 HE3 TRP 3 HE3 TRP 3 -9.537 -3.220 -0.744 28 HZ2 TRP 3 HZ2 TRP 3 -12.383 -0.593 2.396 29 HZ3 TRP 3 HZ3 TRP 3 -11.990 -3.227 -0.937 30 HH2 TRP 3 HH2 TRP 3 -13.382 -1.940 0.603 31 H LEU 4 H LEU 4 -5.187 -1.787 -1.836 32 HA LEU 4 HA LEU 4 -2.963 -3.496 -1.144 33 HB2 LEU 4 HB2 LEU 4 -4.312 -2.706 -3.695 34 HB3 LEU 4 HB3 LEU 4 -2.748 -3.517 -3.729 35 HG LEU 4 HG LEU 4 -5.098 -4.706 -2.287 36 HD11 LEU 4 HD11 LEU 4 -5.825 -4.287 -4.571 37 HD12 LEU 4 HD12 LEU 4 -4.373 -5.071 -5.191 38 HD13 LEU 4 HD13 LEU 4 -5.571 -6.010 -4.300 39 HD21 LEU 4 HD21 LEU 4 -3.666 -6.342 -1.843 40 HD22 LEU 4 HD22 LEU 4 -3.324 -6.547 -3.561 41 HD23 LEU 4 HD23 LEU 4 -2.383 -5.402 -2.604 42 H PHE 5 H PHE 5 -3.457 -0.340 -2.650 43 HA PHE 5 HA PHE 5 -0.825 0.154 -3.451 44 HB2 PHE 5 HB2 PHE 5 -2.705 1.543 -4.175 45 HB3 PHE 5 HB3 PHE 5 -2.929 2.122 -2.527 46 HD1 PHE 5 HD1 PHE 5 -0.080 1.805 -4.924 47 HD2 PHE 5 HD2 PHE 5 -2.206 4.259 -2.172 48 HE1 PHE 5 HE1 PHE 5 1.485 3.650 -5.366 49 HE2 PHE 5 HE2 PHE 5 -0.644 6.109 -2.611 50 HZ PHE 5 HZ PHE 5 1.206 5.806 -4.208 51 H ARG 6 H ARG 6 -2.476 1.145 -0.451 52 HA ARG 6 HA ARG 6 -0.297 2.367 0.779 53 HB2 ARG 6 HB2 ARG 6 -2.794 2.274 1.480 54 HB3 ARG 6 HB3 ARG 6 -2.336 0.814 2.345 55 HG2 ARG 6 HG2 ARG 6 -0.759 2.038 3.684 56 HG3 ARG 6 HG3 ARG 6 -1.046 3.504 2.744 57 HD2 ARG 6 HD2 ARG 6 -2.252 3.581 4.855 58 HD3 ARG 6 HD3 ARG 6 -3.373 3.529 3.495 59 HE ARG 6 HE ARG 6 -2.981 0.912 4.316 60 HH11 ARG 6 HH11 ARG 6 -4.267 3.866 5.634 61 HH12 ARG 6 HH12 ARG 6 -5.390 3.063 6.681 62 HH21 ARG 6 HH21 ARG 6 -4.457 -0.156 5.689 63 HH22 ARG 6 HH22 ARG 6 -5.497 0.775 6.711 64 H GLY 7 H GLY 7 -1.469 -0.981 1.177 65 HA2 GLY 7 HA2 GLY 7 0.485 -1.881 2.932 66 HA3 GLY 7 HA3 GLY 7 -0.362 -2.899 1.777 67 H LYS 8 H LYS 8 0.634 -1.513 -0.561 68 HA LYS 8 HA LYS 8 2.997 -2.992 -0.989 69 HB2 LYS 8 HB2 LYS 8 1.244 -2.001 -2.673 70 HB3 LYS 8 HB3 LYS 8 2.309 -0.602 -2.660 71 HG2 LYS 8 HG2 LYS 8 4.188 -2.217 -3.224 72 HG3 LYS 8 HG3 LYS 8 2.921 -3.400 -3.557 73 HD2 LYS 8 HD2 LYS 8 1.936 -1.475 -5.037 74 HD3 LYS 8 HD3 LYS 8 3.597 -0.878 -5.005 75 HE2 LYS 8 HE2 LYS 8 3.682 -2.204 -6.866 76 HE3 LYS 8 HE3 LYS 8 4.152 -3.373 -5.631 77 HZ1 LYS 8 HZ1 LYS 8 1.648 -3.872 -5.535 78 HZ2 LYS 8 HZ2 LYS 8 1.578 -3.110 -7.044 79 HZ3 LYS 8 HZ3 LYS 8 2.541 -4.485 -6.833 80 H ALA 9 H ALA 9 2.416 0.378 -0.136 81 HA ALA 9 HA ALA 9 5.202 1.095 -0.338 82 HB1 ALA 9 HB1 ALA 9 2.716 2.527 0.507 83 HB2 ALA 9 HB2 ALA 9 4.304 3.217 0.845 84 HB3 ALA 9 HB3 ALA 9 3.821 2.890 -0.818 85 H ASP 10 H ASP 10 2.923 0.270 2.216 86 HA ASP 10 HA ASP 10 4.451 0.993 4.436 87 HB2 ASP 10 HB2 ASP 10 2.346 -1.114 4.008 88 HB3 ASP 10 HB3 ASP 10 3.138 -0.920 5.569 89 H VAL 11 H VAL 11 4.201 -2.207 2.880 90 HA VAL 11 HA VAL 11 6.062 -3.556 4.422 91 HB VAL 11 HB VAL 11 4.637 -4.704 2.812 92 HG11 VAL 11 HG11 VAL 11 4.729 -3.005 1.034 93 HG12 VAL 11 HG12 VAL 11 6.389 -3.486 0.681 94 HG13 VAL 11 HG13 VAL 11 5.067 -4.626 0.428 95 HG21 VAL 11 HG21 VAL 11 7.572 -5.093 2.231 96 HG22 VAL 11 HG22 VAL 11 6.670 -5.822 3.561 97 HG23 VAL 11 HG23 VAL 11 6.292 -6.259 1.895 98 H ALA 12 H ALA 12 6.563 -1.411 1.683 99 HA ALA 12 HA ALA 12 9.323 -1.045 2.425 100 HB1 ALA 12 HB1 ALA 12 9.134 -3.134 0.888 101 HB2 ALA 12 HB2 ALA 12 8.925 -1.944 -0.398 102 HB3 ALA 12 HB3 ALA 12 10.392 -1.937 0.582 103 H LEU 13 H LEU 13 9.796 1.031 2.139 104 HA LEU 13 HA LEU 13 8.002 2.726 0.641 105 HB2 LEU 13 HB2 LEU 13 10.533 3.417 2.129 106 HB3 LEU 13 HB3 LEU 13 9.346 4.564 1.511 107 HG LEU 13 HG LEU 13 7.737 3.167 3.103 108 HD11 LEU 13 HD11 LEU 13 9.196 1.557 3.955 109 HD12 LEU 13 HD12 LEU 13 10.502 2.720 4.176 110 HD13 LEU 13 HD13 LEU 13 9.093 2.765 5.234 111 HD21 LEU 13 HD21 LEU 13 9.179 4.941 4.816 112 HD22 LEU 13 HD22 LEU 13 9.088 5.640 3.200 113 HD23 LEU 13 HD23 LEU 13 7.611 5.172 4.043 114 HN1 NH2 14 HN1 NH2 14 11.564 2.476 0.653 115 HN2 NH2 14 HN2 NH2 14 11.812 2.729 -1.017 Start of MODEL 10 1 H1 ILE 1 H ILE 1 -8.661 -0.734 -3.340 2 HA ILE 1 HA ILE 1 -6.406 -1.079 -5.196 3 HB ILE 1 HB ILE 1 -8.077 1.424 -4.966 4 HG12 ILE 1 HG12 ILE 1 -7.829 -0.498 -7.288 5 HG13 ILE 1 HG13 ILE 1 -9.189 -0.461 -6.171 6 HG21 ILE 1 HG21 ILE 1 -6.705 2.182 -6.891 7 HG22 ILE 1 HG22 ILE 1 -5.779 1.964 -5.406 8 HG23 ILE 1 HG23 ILE 1 -5.695 0.751 -6.683 9 HD11 ILE 1 HD11 ILE 1 -8.412 1.505 -8.270 10 HD12 ILE 1 HD12 ILE 1 -9.978 0.761 -7.949 11 HD13 ILE 1 HD13 ILE 1 -9.367 2.025 -6.881 12 H PHE 2 H PHE 2 -7.685 1.316 -2.878 13 HA PHE 2 HA PHE 2 -5.246 2.380 -2.095 14 HB2 PHE 2 HB2 PHE 2 -6.410 3.189 -0.094 15 HB3 PHE 2 HB3 PHE 2 -7.408 3.399 -1.529 16 HD1 PHE 2 HD1 PHE 2 -7.031 1.662 1.647 17 HD2 PHE 2 HD2 PHE 2 -9.389 2.025 -1.877 18 HE1 PHE 2 HE1 PHE 2 -8.858 0.436 2.747 19 HE2 PHE 2 HE2 PHE 2 -11.221 0.802 -0.783 20 HZ PHE 2 HZ PHE 2 -10.958 0.006 1.533 21 H TRP 3 H TRP 3 -6.954 -0.458 -0.902 22 HA TRP 3 HA TRP 3 -5.406 -0.971 1.368 23 HB2 TRP 3 HB2 TRP 3 -7.559 -2.106 0.765 24 HB3 TRP 3 HB3 TRP 3 -6.674 -3.043 -0.434 25 HD1 TRP 3 HD1 TRP 3 -4.800 -4.790 0.548 26 HE1 TRP 3 HE1 TRP 3 -4.753 -6.077 2.778 27 HE3 TRP 3 HE3 TRP 3 -8.194 -2.003 3.166 28 HZ2 TRP 3 HZ2 TRP 3 -5.991 -5.929 5.309 29 HZ3 TRP 3 HZ3 TRP 3 -8.707 -2.642 5.486 30 HH2 TRP 3 HH2 TRP 3 -7.628 -4.565 6.534 31 H LEU 4 H LEU 4 -4.888 -1.787 -2.017 32 HA LEU 4 HA LEU 4 -2.561 -3.395 -1.471 33 HB2 LEU 4 HB2 LEU 4 -3.573 -2.264 -4.076 34 HB3 LEU 4 HB3 LEU 4 -2.318 -3.487 -3.898 35 HG LEU 4 HG LEU 4 -5.224 -3.828 -3.154 36 HD11 LEU 4 HD11 LEU 4 -5.298 -5.353 -5.066 37 HD12 LEU 4 HD12 LEU 4 -4.907 -3.706 -5.562 38 HD13 LEU 4 HD13 LEU 4 -3.636 -4.925 -5.471 39 HD21 LEU 4 HD21 LEU 4 -2.886 -5.730 -3.086 40 HD22 LEU 4 HD22 LEU 4 -3.847 -5.168 -1.718 41 HD23 LEU 4 HD23 LEU 4 -4.574 -6.220 -2.934 42 H PHE 5 H PHE 5 -3.183 -0.171 -2.822 43 HA PHE 5 HA PHE 5 -0.557 0.541 -3.411 44 HB2 PHE 5 HB2 PHE 5 -2.718 1.792 -3.972 45 HB3 PHE 5 HB3 PHE 5 -2.606 2.485 -2.358 46 HD1 PHE 5 HD1 PHE 5 -1.143 2.398 -5.705 47 HD2 PHE 5 HD2 PHE 5 -0.894 4.096 -1.810 48 HE1 PHE 5 HE1 PHE 5 0.366 4.140 -6.565 49 HE2 PHE 5 HE2 PHE 5 0.615 5.842 -2.664 50 HZ PHE 5 HZ PHE 5 1.246 5.867 -5.044 51 H ARG 6 H ARG 6 -2.414 1.323 -0.466 52 HA ARG 6 HA ARG 6 -0.225 2.436 0.923 53 HB2 ARG 6 HB2 ARG 6 -2.553 2.901 1.536 54 HB3 ARG 6 HB3 ARG 6 -2.772 1.221 2.006 55 HG2 ARG 6 HG2 ARG 6 -0.875 1.628 3.670 56 HG3 ARG 6 HG3 ARG 6 -1.138 3.343 3.348 57 HD2 ARG 6 HD2 ARG 6 -3.646 2.027 3.824 58 HD3 ARG 6 HD3 ARG 6 -2.529 1.695 5.147 59 HE ARG 6 HE ARG 6 -2.647 3.904 5.768 60 HH11 ARG 6 HH11 ARG 6 -4.066 3.499 2.615 61 HH12 ARG 6 HH12 ARG 6 -4.723 5.102 2.561 62 HH21 ARG 6 HH21 ARG 6 -3.507 6.016 5.709 63 HH22 ARG 6 HH22 ARG 6 -4.405 6.532 4.322 64 H GLY 7 H GLY 7 -1.773 -0.766 1.190 65 HA2 GLY 7 HA2 GLY 7 -0.165 -1.870 3.148 66 HA3 GLY 7 HA3 GLY 7 -0.919 -2.792 1.855 67 H LYS 8 H LYS 8 0.385 -1.939 -0.368 68 HA LYS 8 HA LYS 8 2.801 -3.382 -0.253 69 HB2 LYS 8 HB2 LYS 8 1.296 -2.914 -2.280 70 HB3 LYS 8 HB3 LYS 8 2.130 -1.371 -2.391 71 HG2 LYS 8 HG2 LYS 8 3.274 -2.743 -3.878 72 HG3 LYS 8 HG3 LYS 8 4.285 -2.751 -2.430 73 HD2 LYS 8 HD2 LYS 8 3.167 -4.881 -1.757 74 HD3 LYS 8 HD3 LYS 8 2.351 -4.887 -3.322 75 HE2 LYS 8 HE2 LYS 8 5.324 -4.629 -3.211 76 HE3 LYS 8 HE3 LYS 8 4.583 -6.212 -2.978 77 HZ1 LYS 8 HZ1 LYS 8 5.043 -6.014 -5.264 78 HZ2 LYS 8 HZ2 LYS 8 3.373 -5.784 -5.119 79 HZ3 LYS 8 HZ3 LYS 8 4.393 -4.455 -5.355 80 H ALA 9 H ALA 9 2.156 0.107 -0.429 81 HA ALA 9 HA ALA 9 4.772 1.024 -0.576 82 HB1 ALA 9 HB1 ALA 9 2.660 2.443 1.016 83 HB2 ALA 9 HB2 ALA 9 3.957 3.132 0.041 84 HB3 ALA 9 HB3 ALA 9 2.589 2.342 -0.743 85 H ASP 10 H ASP 10 2.825 0.281 2.298 86 HA ASP 10 HA ASP 10 4.588 1.106 4.266 87 HB2 ASP 10 HB2 ASP 10 2.223 0.253 4.571 88 HB3 ASP 10 HB3 ASP 10 2.880 -1.376 4.458 89 H VAL 11 H VAL 11 4.302 -2.166 2.875 90 HA VAL 11 HA VAL 11 6.514 -3.251 4.234 91 HB VAL 11 HB VAL 11 5.391 -4.123 1.569 92 HG11 VAL 11 HG11 VAL 11 6.261 -6.365 2.365 93 HG12 VAL 11 HG12 VAL 11 7.476 -5.186 1.877 94 HG13 VAL 11 HG13 VAL 11 7.164 -5.473 3.588 95 HG21 VAL 11 HG21 VAL 11 4.522 -5.811 3.644 96 HG22 VAL 11 HG22 VAL 11 4.239 -4.159 4.192 97 HG23 VAL 11 HG23 VAL 11 3.550 -4.711 2.666 98 H ALA 12 H ALA 12 6.228 -1.997 0.914 99 HA ALA 12 HA ALA 12 7.783 -1.275 -0.585 100 HB1 ALA 12 HB1 ALA 12 9.697 -0.014 0.342 101 HB2 ALA 12 HB2 ALA 12 8.153 0.458 1.051 102 HB3 ALA 12 HB3 ALA 12 9.258 -0.581 1.953 103 H LEU 13 H LEU 13 7.823 -4.023 -0.101 104 HA LEU 13 HA LEU 13 10.469 -4.978 0.370 105 HB2 LEU 13 HB2 LEU 13 8.642 -6.440 0.800 106 HB3 LEU 13 HB3 LEU 13 8.020 -6.244 -0.837 107 HG LEU 13 HG LEU 13 10.108 -7.410 -1.643 108 HD11 LEU 13 HD11 LEU 13 11.083 -8.928 0.195 109 HD12 LEU 13 HD12 LEU 13 11.636 -7.256 0.098 110 HD13 LEU 13 HD13 LEU 13 10.448 -7.723 1.315 111 HD21 LEU 13 HD21 LEU 13 8.020 -8.743 0.046 112 HD22 LEU 13 HD22 LEU 13 8.161 -8.687 -1.711 113 HD23 LEU 13 HD23 LEU 13 9.273 -9.681 -0.770 114 HN1 NH2 14 HN1 NH2 14 8.601 -4.164 -2.502 115 HN2 NH2 14 HN2 NH2 14 9.850 -4.319 -3.657 Start of MODEL 11 1 H1 ILE 1 H ILE 1 -8.773 -1.474 -4.254 2 HA ILE 1 HA ILE 1 -6.157 -1.169 -5.263 3 HB ILE 1 HB ILE 1 -8.352 0.905 -5.164 4 HG12 ILE 1 HG12 ILE 1 -7.674 -1.054 -7.368 5 HG13 ILE 1 HG13 ILE 1 -9.010 -1.254 -6.238 6 HG21 ILE 1 HG21 ILE 1 -6.763 2.241 -5.980 7 HG22 ILE 1 HG22 ILE 1 -5.652 0.896 -6.244 8 HG23 ILE 1 HG23 ILE 1 -6.873 1.284 -7.458 9 HD11 ILE 1 HD11 ILE 1 -10.297 -0.074 -7.586 10 HD12 ILE 1 HD12 ILE 1 -9.240 1.321 -7.369 11 HD13 ILE 1 HD13 ILE 1 -8.940 0.183 -8.682 12 H PHE 2 H PHE 2 -7.957 0.789 -2.889 13 HA PHE 2 HA PHE 2 -5.789 2.479 -2.245 14 HB2 PHE 2 HB2 PHE 2 -8.323 1.790 -0.755 15 HB3 PHE 2 HB3 PHE 2 -7.166 2.984 -0.176 16 HD1 PHE 2 HD1 PHE 2 -9.829 2.278 -2.519 17 HD2 PHE 2 HD2 PHE 2 -6.778 5.054 -1.467 18 HE1 PHE 2 HE1 PHE 2 -10.917 3.995 -3.905 19 HE2 PHE 2 HE2 PHE 2 -7.862 6.775 -2.850 20 HZ PHE 2 HZ PHE 2 -9.934 6.247 -4.071 21 H TRP 3 H TRP 3 -7.185 -0.265 -0.448 22 HA TRP 3 HA TRP 3 -5.288 -0.316 1.604 23 HB2 TRP 3 HB2 TRP 3 -7.357 -1.536 1.824 24 HB3 TRP 3 HB3 TRP 3 -6.963 -2.542 0.433 25 HD1 TRP 3 HD1 TRP 3 -4.582 -1.777 3.377 26 HE1 TRP 3 HE1 TRP 3 -3.961 -4.006 4.503 27 HE3 TRP 3 HE3 TRP 3 -7.616 -4.908 0.707 28 HZ2 TRP 3 HZ2 TRP 3 -4.662 -6.731 4.288 29 HZ3 TRP 3 HZ3 TRP 3 -7.581 -7.312 1.230 30 HH2 TRP 3 HH2 TRP 3 -6.133 -8.204 2.983 31 H LEU 4 H LEU 4 -5.328 -1.944 -1.537 32 HA LEU 4 HA LEU 4 -3.007 -3.496 -1.136 33 HB2 LEU 4 HB2 LEU 4 -4.617 -2.628 -3.474 34 HB3 LEU 4 HB3 LEU 4 -2.991 -3.238 -3.781 35 HG LEU 4 HG LEU 4 -4.773 -4.945 -4.032 36 HD11 LEU 4 HD11 LEU 4 -3.636 -6.679 -2.716 37 HD12 LEU 4 HD12 LEU 4 -2.497 -5.625 -3.553 38 HD13 LEU 4 HD13 LEU 4 -2.778 -5.423 -1.823 39 HD21 LEU 4 HD21 LEU 4 -5.041 -5.034 -1.063 40 HD22 LEU 4 HD22 LEU 4 -6.034 -3.909 -1.988 41 HD23 LEU 4 HD23 LEU 4 -6.129 -5.640 -2.311 42 H PHE 5 H PHE 5 -3.462 -0.419 -2.878 43 HA PHE 5 HA PHE 5 -0.833 0.046 -3.597 44 HB2 PHE 5 HB2 PHE 5 -3.198 1.778 -3.096 45 HB3 PHE 5 HB3 PHE 5 -1.628 2.567 -3.199 46 HD1 PHE 5 HD1 PHE 5 -3.231 -0.247 -5.055 47 HD2 PHE 5 HD2 PHE 5 -1.342 3.563 -5.238 48 HE1 PHE 5 HE1 PHE 5 -3.368 -0.300 -7.511 49 HE2 PHE 5 HE2 PHE 5 -1.477 3.516 -7.696 50 HZ PHE 5 HZ PHE 5 -2.492 1.582 -8.834 51 H ARG 6 H ARG 6 -2.493 1.049 -0.617 52 HA ARG 6 HA ARG 6 -0.310 2.356 0.564 53 HB2 ARG 6 HB2 ARG 6 -2.767 1.044 1.708 54 HB3 ARG 6 HB3 ARG 6 -1.565 1.809 2.739 55 HG2 ARG 6 HG2 ARG 6 -1.914 3.929 1.574 56 HG3 ARG 6 HG3 ARG 6 -3.125 3.159 0.545 57 HD2 ARG 6 HD2 ARG 6 -3.277 3.398 3.549 58 HD3 ARG 6 HD3 ARG 6 -4.132 4.426 2.401 59 HE ARG 6 HE ARG 6 -4.703 1.680 1.947 60 HH11 ARG 6 HH11 ARG 6 -5.440 4.356 4.049 61 HH12 ARG 6 HH12 ARG 6 -7.008 3.755 4.479 62 HH21 ARG 6 HH21 ARG 6 -6.764 0.879 2.505 63 HH22 ARG 6 HH22 ARG 6 -7.759 1.777 3.601 64 H GLY 7 H GLY 7 -1.400 -1.014 0.771 65 HA2 GLY 7 HA2 GLY 7 0.410 -1.908 2.706 66 HA3 GLY 7 HA3 GLY 7 -0.315 -2.914 1.462 67 H LYS 8 H LYS 8 0.792 -1.601 -0.794 68 HA LYS 8 HA LYS 8 3.222 -2.958 -1.053 69 HB2 LYS 8 HB2 LYS 8 1.943 -0.739 -2.631 70 HB3 LYS 8 HB3 LYS 8 3.521 -1.380 -3.071 71 HG2 LYS 8 HG2 LYS 8 2.650 -3.483 -3.595 72 HG3 LYS 8 HG3 LYS 8 1.140 -3.169 -2.736 73 HD2 LYS 8 HD2 LYS 8 0.591 -2.975 -5.011 74 HD3 LYS 8 HD3 LYS 8 0.751 -1.312 -4.441 75 HE2 LYS 8 HE2 LYS 8 2.813 -1.024 -5.501 76 HE3 LYS 8 HE3 LYS 8 3.069 -2.760 -5.675 77 HZ1 LYS 8 HZ1 LYS 8 2.247 -1.226 -7.661 78 HZ2 LYS 8 HZ2 LYS 8 1.809 -2.853 -7.529 79 HZ3 LYS 8 HZ3 LYS 8 0.738 -1.646 -7.019 80 H ALA 9 H ALA 9 2.520 0.370 -0.149 81 HA ALA 9 HA ALA 9 5.289 1.160 -0.136 82 HB1 ALA 9 HB1 ALA 9 4.375 3.178 -0.246 83 HB2 ALA 9 HB2 ALA 9 2.774 2.475 -0.023 84 HB3 ALA 9 HB3 ALA 9 3.721 2.969 1.380 85 H ASP 10 H ASP 10 2.887 0.170 2.246 86 HA ASP 10 HA ASP 10 4.223 0.826 4.589 87 HB2 ASP 10 HB2 ASP 10 1.995 0.079 4.801 88 HB3 ASP 10 HB3 ASP 10 2.319 -1.407 3.914 89 H VAL 11 H VAL 11 4.246 -2.347 2.952 90 HA VAL 11 HA VAL 11 6.167 -3.570 4.538 91 HB VAL 11 HB VAL 11 4.857 -4.846 2.950 92 HG11 VAL 11 HG11 VAL 11 5.139 -4.707 0.579 93 HG12 VAL 11 HG12 VAL 11 4.824 -3.080 1.186 94 HG13 VAL 11 HG13 VAL 11 6.466 -3.558 0.753 95 HG21 VAL 11 HG21 VAL 11 6.615 -6.255 2.008 96 HG22 VAL 11 HG22 VAL 11 7.798 -4.976 2.288 97 HG23 VAL 11 HG23 VAL 11 7.010 -5.764 3.655 98 H ALA 12 H ALA 12 6.558 -1.430 1.774 99 HA ALA 12 HA ALA 12 9.379 -1.816 1.530 100 HB1 ALA 12 HB1 ALA 12 7.349 -0.476 0.082 101 HB2 ALA 12 HB2 ALA 12 8.604 0.705 0.461 102 HB3 ALA 12 HB3 ALA 12 9.019 -0.780 -0.397 103 H LEU 13 H LEU 13 10.679 0.442 1.501 104 HA LEU 13 HA LEU 13 11.805 1.921 2.813 105 HB2 LEU 13 HB2 LEU 13 9.178 2.506 4.142 106 HB3 LEU 13 HB3 LEU 13 10.540 3.594 3.881 107 HG LEU 13 HG LEU 13 8.727 2.526 1.718 108 HD11 LEU 13 HD11 LEU 13 8.846 5.241 3.025 109 HD12 LEU 13 HD12 LEU 13 7.872 4.823 1.614 110 HD13 LEU 13 HD13 LEU 13 7.542 4.064 3.172 111 HD21 LEU 13 HD21 LEU 13 10.883 4.633 1.619 112 HD22 LEU 13 HD22 LEU 13 11.018 3.000 0.967 113 HD23 LEU 13 HD23 LEU 13 9.848 4.128 0.281 114 HN1 NH2 14 HN1 NH2 14 12.997 0.379 3.968 115 HN2 NH2 14 HN2 NH2 14 12.682 -0.049 5.591 Start of MODEL 12 1 H1 ILE 1 H ILE 1 -8.733 -0.080 -4.200 2 HA ILE 1 HA ILE 1 -6.172 -1.045 -5.297 3 HB ILE 1 HB ILE 1 -6.000 1.246 -6.364 4 HG12 ILE 1 HG12 ILE 1 -8.963 1.277 -5.751 5 HG13 ILE 1 HG13 ILE 1 -7.757 2.340 -5.033 6 HG21 ILE 1 HG21 ILE 1 -6.541 -0.841 -7.586 7 HG22 ILE 1 HG22 ILE 1 -8.254 -0.496 -7.347 8 HG23 ILE 1 HG23 ILE 1 -7.261 0.598 -8.310 9 HD11 ILE 1 HD11 ILE 1 -7.451 2.625 -7.791 10 HD12 ILE 1 HD12 ILE 1 -9.191 2.607 -7.501 11 HD13 ILE 1 HD13 ILE 1 -8.168 3.774 -6.662 12 H PHE 2 H PHE 2 -7.785 1.255 -3.184 13 HA PHE 2 HA PHE 2 -5.529 2.699 -2.345 14 HB2 PHE 2 HB2 PHE 2 -8.245 2.193 -1.194 15 HB3 PHE 2 HB3 PHE 2 -7.025 2.976 -0.195 16 HD1 PHE 2 HD1 PHE 2 -9.094 3.281 -3.208 17 HD2 PHE 2 HD2 PHE 2 -6.308 5.216 -0.639 18 HE1 PHE 2 HE1 PHE 2 -9.626 5.438 -4.264 19 HE2 PHE 2 HE2 PHE 2 -6.835 7.376 -1.689 20 HZ PHE 2 HZ PHE 2 -8.497 7.491 -3.503 21 H TRP 3 H TRP 3 -7.182 -0.031 -0.756 22 HA TRP 3 HA TRP 3 -5.406 -0.344 1.366 23 HB2 TRP 3 HB2 TRP 3 -6.277 -2.657 1.520 24 HB3 TRP 3 HB3 TRP 3 -7.561 -1.469 1.321 25 HD1 TRP 3 HD1 TRP 3 -8.780 -1.393 -1.113 26 HE1 TRP 3 HE1 TRP 3 -9.083 -3.231 -2.889 27 HE3 TRP 3 HE3 TRP 3 -5.196 -4.670 0.491 28 HZ2 TRP 3 HZ2 TRP 3 -7.952 -5.739 -3.525 29 HZ3 TRP 3 HZ3 TRP 3 -4.872 -6.766 -0.758 30 HH2 TRP 3 HH2 TRP 3 -6.222 -7.287 -2.723 31 H LEU 4 H LEU 4 -5.281 -1.630 -1.914 32 HA LEU 4 HA LEU 4 -3.097 -3.376 -1.519 33 HB2 LEU 4 HB2 LEU 4 -4.390 -3.731 -3.441 34 HB3 LEU 4 HB3 LEU 4 -4.277 -2.042 -3.932 35 HG LEU 4 HG LEU 4 -1.895 -2.389 -4.477 36 HD11 LEU 4 HD11 LEU 4 -1.107 -4.755 -4.660 37 HD12 LEU 4 HD12 LEU 4 -1.302 -4.169 -3.008 38 HD13 LEU 4 HD13 LEU 4 -2.516 -5.235 -3.714 39 HD21 LEU 4 HD21 LEU 4 -2.263 -3.549 -6.527 40 HD22 LEU 4 HD22 LEU 4 -3.654 -4.405 -5.862 41 HD23 LEU 4 HD23 LEU 4 -3.741 -2.667 -6.146 42 H PHE 5 H PHE 5 -3.263 -0.051 -2.773 43 HA PHE 5 HA PHE 5 -0.540 0.299 -3.269 44 HB2 PHE 5 HB2 PHE 5 -2.205 1.873 -4.088 45 HB3 PHE 5 HB3 PHE 5 -2.612 2.340 -2.438 46 HD1 PHE 5 HD1 PHE 5 0.499 2.026 -4.486 47 HD2 PHE 5 HD2 PHE 5 -1.820 4.388 -1.810 48 HE1 PHE 5 HE1 PHE 5 2.206 3.795 -4.573 49 HE2 PHE 5 HE2 PHE 5 -0.117 6.163 -1.895 50 HZ PHE 5 HZ PHE 5 1.899 5.868 -3.278 51 H ARG 6 H ARG 6 -2.422 1.063 -0.351 52 HA ARG 6 HA ARG 6 -0.272 2.078 1.153 53 HB2 ARG 6 HB2 ARG 6 -2.691 2.388 1.692 54 HB3 ARG 6 HB3 ARG 6 -2.750 0.706 2.203 55 HG2 ARG 6 HG2 ARG 6 -2.526 2.002 4.161 56 HG3 ARG 6 HG3 ARG 6 -0.952 1.261 3.870 57 HD2 ARG 6 HD2 ARG 6 -0.784 3.635 4.521 58 HD3 ARG 6 HD3 ARG 6 -0.113 3.316 2.921 59 HE ARG 6 HE ARG 6 -1.676 4.727 2.046 60 HH11 ARG 6 HH11 ARG 6 -2.749 3.691 5.192 61 HH12 ARG 6 HH12 ARG 6 -4.129 4.740 5.210 62 HH21 ARG 6 HH21 ARG 6 -3.488 6.113 2.060 63 HH22 ARG 6 HH22 ARG 6 -4.548 6.117 3.429 64 H GLY 7 H GLY 7 -1.618 -1.185 0.858 65 HA2 GLY 7 HA2 GLY 7 -0.173 -2.455 2.869 66 HA3 GLY 7 HA3 GLY 7 -0.738 -3.234 1.397 67 H LYS 8 H LYS 8 0.677 -2.382 -0.598 68 HA LYS 8 HA LYS 8 3.226 -3.527 -0.244 69 HB2 LYS 8 HB2 LYS 8 3.669 -2.824 -2.534 70 HB3 LYS 8 HB3 LYS 8 2.048 -3.492 -2.404 71 HG2 LYS 8 HG2 LYS 8 1.232 -1.102 -2.187 72 HG3 LYS 8 HG3 LYS 8 2.852 -0.615 -2.690 73 HD2 LYS 8 HD2 LYS 8 1.341 -2.618 -4.313 74 HD3 LYS 8 HD3 LYS 8 0.951 -0.902 -4.463 75 HE2 LYS 8 HE2 LYS 8 3.540 -0.644 -4.727 76 HE3 LYS 8 HE3 LYS 8 3.468 -2.349 -5.166 77 HZ1 LYS 8 HZ1 LYS 8 2.958 -1.663 -7.199 78 HZ2 LYS 8 HZ2 LYS 8 1.456 -1.164 -6.600 79 HZ3 LYS 8 HZ3 LYS 8 2.737 -0.062 -6.698 80 H ALA 9 H ALA 9 2.109 -0.190 -0.261 81 HA ALA 9 HA ALA 9 4.590 1.099 -0.392 82 HB1 ALA 9 HB1 ALA 9 2.604 2.371 -0.716 83 HB2 ALA 9 HB2 ALA 9 1.996 1.942 0.883 84 HB3 ALA 9 HB3 ALA 9 3.399 3.000 0.727 85 H ASP 10 H ASP 10 2.747 -0.098 2.386 86 HA ASP 10 HA ASP 10 4.286 0.930 4.448 87 HB2 ASP 10 HB2 ASP 10 2.284 -0.126 5.077 88 HB3 ASP 10 HB3 ASP 10 2.676 -1.597 4.190 89 H VAL 11 H VAL 11 4.818 -1.941 2.472 90 HA VAL 11 HA VAL 11 6.863 -3.161 3.879 91 HB VAL 11 HB VAL 11 6.671 -2.946 0.871 92 HG11 VAL 11 HG11 VAL 11 8.453 -4.266 0.784 93 HG12 VAL 11 HG12 VAL 11 8.604 -4.154 2.538 94 HG13 VAL 11 HG13 VAL 11 7.652 -5.450 1.816 95 HG21 VAL 11 HG21 VAL 11 5.667 -5.389 1.533 96 HG22 VAL 11 HG22 VAL 11 5.067 -4.387 2.856 97 HG23 VAL 11 HG23 VAL 11 4.693 -3.959 1.187 98 H ALA 12 H ALA 12 7.184 -0.723 1.296 99 HA ALA 12 HA ALA 12 9.988 -0.475 1.507 100 HB1 ALA 12 HB1 ALA 12 9.817 1.059 -0.152 101 HB2 ALA 12 HB2 ALA 12 8.204 0.363 -0.300 102 HB3 ALA 12 HB3 ALA 12 8.437 1.869 0.587 103 H LEU 13 H LEU 13 11.220 0.552 2.942 104 HA LEU 13 HA LEU 13 9.986 1.982 5.122 105 HB2 LEU 13 HB2 LEU 13 12.895 1.457 4.532 106 HB3 LEU 13 HB3 LEU 13 12.249 2.100 6.040 107 HG LEU 13 HG LEU 13 11.583 -0.638 4.970 108 HD11 LEU 13 HD11 LEU 13 14.064 0.095 5.783 109 HD12 LEU 13 HD12 LEU 13 13.337 -0.413 7.307 110 HD13 LEU 13 HD13 LEU 13 13.395 -1.528 5.942 111 HD21 LEU 13 HD21 LEU 13 10.213 0.786 6.779 112 HD22 LEU 13 HD22 LEU 13 10.378 -0.968 6.857 113 HD23 LEU 13 HD23 LEU 13 11.423 0.060 7.836 114 HN1 NH2 14 HN1 NH2 14 9.805 4.119 5.335 115 HN2 NH2 14 HN2 NH2 14 10.545 5.328 4.382 Start of MODEL 13 1 H1 ILE 1 H ILE 1 -8.748 -0.393 -3.824 2 HA ILE 1 HA ILE 1 -6.248 -0.905 -5.296 3 HB ILE 1 HB ILE 1 -7.793 1.686 -5.269 4 HG12 ILE 1 HG12 ILE 1 -8.117 0.831 -7.780 5 HG13 ILE 1 HG13 ILE 1 -8.020 -0.737 -6.985 6 HG21 ILE 1 HG21 ILE 1 -6.174 2.557 -6.558 7 HG22 ILE 1 HG22 ILE 1 -5.186 1.256 -5.895 8 HG23 ILE 1 HG23 ILE 1 -5.957 1.062 -7.468 9 HD11 ILE 1 HD11 ILE 1 -9.884 1.380 -5.994 10 HD12 ILE 1 HD12 ILE 1 -10.324 0.323 -7.335 11 HD13 ILE 1 HD13 ILE 1 -9.952 -0.366 -5.755 12 H PHE 2 H PHE 2 -7.675 1.535 -3.115 13 HA PHE 2 HA PHE 2 -5.335 2.693 -2.224 14 HB2 PHE 2 HB2 PHE 2 -8.069 2.391 -1.085 15 HB3 PHE 2 HB3 PHE 2 -6.795 2.948 -0.006 16 HD1 PHE 2 HD1 PHE 2 -8.428 3.670 -3.260 17 HD2 PHE 2 HD2 PHE 2 -6.138 5.179 -0.004 18 HE1 PHE 2 HE1 PHE 2 -8.690 5.952 -4.138 19 HE2 PHE 2 HE2 PHE 2 -6.397 7.465 -0.878 20 HZ PHE 2 HZ PHE 2 -7.674 7.854 -2.947 21 H TRP 3 H TRP 3 -7.124 0.046 -0.645 22 HA TRP 3 HA TRP 3 -5.395 -0.441 1.451 23 HB2 TRP 3 HB2 TRP 3 -7.678 -1.511 0.931 24 HB3 TRP 3 HB3 TRP 3 -6.769 -2.675 -0.028 25 HD1 TRP 3 HD1 TRP 3 -5.678 -1.303 3.413 26 HE1 TRP 3 HE1 TRP 3 -5.495 -3.286 5.045 27 HE3 TRP 3 HE3 TRP 3 -7.455 -5.016 0.382 28 HZ2 TRP 3 HZ2 TRP 3 -6.031 -6.057 5.045 29 HZ3 TRP 3 HZ3 TRP 3 -7.588 -7.304 1.273 30 HH2 TRP 3 HH2 TRP 3 -6.890 -7.812 3.557 31 H LEU 4 H LEU 4 -5.221 -1.610 -1.876 32 HA LEU 4 HA LEU 4 -3.033 -3.364 -1.478 33 HB2 LEU 4 HB2 LEU 4 -3.749 -1.958 -4.041 34 HB3 LEU 4 HB3 LEU 4 -2.887 -3.483 -3.853 35 HG LEU 4 HG LEU 4 -5.802 -3.018 -3.228 36 HD11 LEU 4 HD11 LEU 4 -5.526 -2.980 -5.581 37 HD12 LEU 4 HD12 LEU 4 -4.405 -4.340 -5.540 38 HD13 LEU 4 HD13 LEU 4 -6.108 -4.591 -5.163 39 HD21 LEU 4 HD21 LEU 4 -5.574 -5.662 -3.309 40 HD22 LEU 4 HD22 LEU 4 -3.941 -5.282 -2.764 41 HD23 LEU 4 HD23 LEU 4 -5.332 -4.745 -1.822 42 H PHE 5 H PHE 5 -3.215 -0.059 -2.792 43 HA PHE 5 HA PHE 5 -0.490 0.311 -3.246 44 HB2 PHE 5 HB2 PHE 5 -2.582 1.804 -3.818 45 HB3 PHE 5 HB3 PHE 5 -2.172 2.596 -2.300 46 HD1 PHE 5 HD1 PHE 5 -1.385 2.248 -5.782 47 HD2 PHE 5 HD2 PHE 5 0.114 3.598 -2.034 48 HE1 PHE 5 HE1 PHE 5 0.310 3.595 -6.950 49 HE2 PHE 5 HE2 PHE 5 1.812 4.949 -3.196 50 HZ PHE 5 HZ PHE 5 1.912 4.947 -5.656 51 H ARG 6 H ARG 6 -2.410 0.796 -0.328 52 HA ARG 6 HA ARG 6 -0.296 1.965 1.187 53 HB2 ARG 6 HB2 ARG 6 -2.681 2.307 1.728 54 HB3 ARG 6 HB3 ARG 6 -2.820 0.604 2.145 55 HG2 ARG 6 HG2 ARG 6 -1.126 0.956 3.923 56 HG3 ARG 6 HG3 ARG 6 -1.157 2.680 3.551 57 HD2 ARG 6 HD2 ARG 6 -3.617 2.644 4.003 58 HD3 ARG 6 HD3 ARG 6 -3.429 0.984 4.567 59 HE ARG 6 HE ARG 6 -2.766 3.367 5.992 60 HH11 ARG 6 HH11 ARG 6 -1.900 0.022 5.551 61 HH12 ARG 6 HH12 ARG 6 -1.213 -0.143 7.133 62 HH21 ARG 6 HH21 ARG 6 -1.864 3.160 8.078 63 HH22 ARG 6 HH22 ARG 6 -1.193 1.641 8.569 64 H GLY 7 H GLY 7 -1.494 -1.309 0.714 65 HA2 GLY 7 HA2 GLY 7 -0.044 -2.535 2.809 66 HA3 GLY 7 HA3 GLY 7 -0.683 -3.348 1.389 67 H LYS 8 H LYS 8 0.702 -2.163 -0.648 68 HA LYS 8 HA LYS 8 3.231 -3.470 -0.440 69 HB2 LYS 8 HB2 LYS 8 3.590 -2.698 -2.735 70 HB3 LYS 8 HB3 LYS 8 1.992 -3.408 -2.550 71 HG2 LYS 8 HG2 LYS 8 1.066 -1.110 -2.328 72 HG3 LYS 8 HG3 LYS 8 2.672 -0.480 -2.697 73 HD2 LYS 8 HD2 LYS 8 1.229 -2.397 -4.512 74 HD3 LYS 8 HD3 LYS 8 1.041 -0.647 -4.638 75 HE2 LYS 8 HE2 LYS 8 3.376 -0.367 -5.094 76 HE3 LYS 8 HE3 LYS 8 3.698 -2.066 -4.750 77 HZ1 LYS 8 HZ1 LYS 8 3.501 -1.321 -7.180 78 HZ2 LYS 8 HZ2 LYS 8 2.702 -2.737 -6.712 79 HZ3 LYS 8 HZ3 LYS 8 1.832 -1.299 -6.902 80 H ALA 9 H ALA 9 2.147 -0.121 -0.371 81 HA ALA 9 HA ALA 9 4.713 1.068 -0.498 82 HB1 ALA 9 HB1 ALA 9 2.157 2.159 0.674 83 HB2 ALA 9 HB2 ALA 9 3.598 3.098 0.288 84 HB3 ALA 9 HB3 ALA 9 2.683 2.316 -1.002 85 H ASP 10 H ASP 10 2.694 -0.043 2.168 86 HA ASP 10 HA ASP 10 4.023 1.076 4.320 87 HB2 ASP 10 HB2 ASP 10 1.905 -0.243 4.436 88 HB3 ASP 10 HB3 ASP 10 2.856 -1.711 4.233 89 H VAL 11 H VAL 11 4.605 -2.154 2.923 90 HA VAL 11 HA VAL 11 6.915 -2.673 4.467 91 HB VAL 11 HB VAL 11 6.223 -3.889 1.792 92 HG11 VAL 11 HG11 VAL 11 8.530 -4.240 2.811 93 HG12 VAL 11 HG12 VAL 11 7.710 -5.164 4.070 94 HG13 VAL 11 HG13 VAL 11 7.615 -5.686 2.388 95 HG21 VAL 11 HG21 VAL 11 5.182 -5.696 3.227 96 HG22 VAL 11 HG22 VAL 11 5.258 -4.551 4.565 97 HG23 VAL 11 HG23 VAL 11 4.296 -4.173 3.138 98 H ALA 12 H ALA 12 6.446 -1.362 1.217 99 HA ALA 12 HA ALA 12 7.868 -0.365 -0.259 100 HB1 ALA 12 HB1 ALA 12 9.109 0.489 2.350 101 HB2 ALA 12 HB2 ALA 12 9.580 1.139 0.778 102 HB3 ALA 12 HB3 ALA 12 7.935 1.372 1.373 103 H LEU 13 H LEU 13 8.389 -2.964 -0.253 104 HA LEU 13 HA LEU 13 10.951 -3.805 0.502 105 HB2 LEU 13 HB2 LEU 13 8.950 -5.185 -0.300 106 HB3 LEU 13 HB3 LEU 13 9.509 -4.815 -1.930 107 HG LEU 13 HG LEU 13 11.433 -6.042 -0.018 108 HD11 LEU 13 HD11 LEU 13 10.654 -8.258 -0.469 109 HD12 LEU 13 HD12 LEU 13 9.316 -7.330 0.208 110 HD13 LEU 13 HD13 LEU 13 9.381 -7.649 -1.526 111 HD21 LEU 13 HD21 LEU 13 10.940 -6.132 -2.986 112 HD22 LEU 13 HD22 LEU 13 12.321 -5.446 -2.128 113 HD23 LEU 13 HD23 LEU 13 12.089 -7.193 -2.169 114 HN1 NH2 14 HN1 NH2 14 9.804 -2.745 -2.706 115 HN2 NH2 14 HN2 NH2 14 11.314 -2.252 -3.332 Start of MODEL 14 1 H1 ILE 1 H ILE 1 -8.694 0.865 -4.327 2 HA ILE 1 HA ILE 1 -6.469 -0.760 -5.374 3 HB ILE 1 HB ILE 1 -5.659 1.380 -6.457 4 HG12 ILE 1 HG12 ILE 1 -8.519 2.218 -5.938 5 HG13 ILE 1 HG13 ILE 1 -7.091 2.929 -5.193 6 HG21 ILE 1 HG21 ILE 1 -8.256 0.223 -7.461 7 HG22 ILE 1 HG22 ILE 1 -7.063 1.093 -8.426 8 HG23 ILE 1 HG23 ILE 1 -6.652 -0.468 -7.717 9 HD11 ILE 1 HD11 ILE 1 -8.045 3.137 -8.016 10 HD12 ILE 1 HD12 ILE 1 -7.630 4.419 -6.878 11 HD13 ILE 1 HD13 ILE 1 -6.357 3.438 -7.603 12 H PHE 2 H PHE 2 -7.466 1.929 -3.339 13 HA PHE 2 HA PHE 2 -4.899 2.671 -2.430 14 HB2 PHE 2 HB2 PHE 2 -7.648 3.016 -1.234 15 HB3 PHE 2 HB3 PHE 2 -6.195 3.673 -0.488 16 HD1 PHE 2 HD1 PHE 2 -8.813 4.280 -2.770 17 HD2 PHE 2 HD2 PHE 2 -4.727 5.191 -2.000 18 HE1 PHE 2 HE1 PHE 2 -8.994 6.279 -4.192 19 HE2 PHE 2 HE2 PHE 2 -4.902 7.193 -3.420 20 HZ PHE 2 HZ PHE 2 -7.038 7.738 -4.519 21 H TRP 3 H TRP 3 -7.228 0.282 -1.323 22 HA TRP 3 HA TRP 3 -6.182 -0.345 1.161 23 HB2 TRP 3 HB2 TRP 3 -8.298 -1.258 0.211 24 HB3 TRP 3 HB3 TRP 3 -7.339 -2.310 -0.826 25 HD1 TRP 3 HD1 TRP 3 -8.233 -1.787 2.880 26 HE1 TRP 3 HE1 TRP 3 -7.798 -3.991 4.137 27 HE3 TRP 3 HE3 TRP 3 -6.044 -4.455 -0.893 28 HZ2 TRP 3 HZ2 TRP 3 -6.675 -6.524 3.600 29 HZ3 TRP 3 HZ3 TRP 3 -5.318 -6.762 -0.438 30 HH2 TRP 3 HH2 TRP 3 -5.628 -7.773 1.763 31 H LEU 4 H LEU 4 -5.482 -2.080 -1.881 32 HA LEU 4 HA LEU 4 -3.307 -3.528 -0.775 33 HB2 LEU 4 HB2 LEU 4 -2.852 -4.221 -3.060 34 HB3 LEU 4 HB3 LEU 4 -4.570 -4.349 -2.684 35 HG LEU 4 HG LEU 4 -4.606 -1.952 -3.833 36 HD11 LEU 4 HD11 LEU 4 -2.896 -1.428 -5.175 37 HD12 LEU 4 HD12 LEU 4 -1.971 -2.558 -4.187 38 HD13 LEU 4 HD13 LEU 4 -2.678 -3.096 -5.710 39 HD21 LEU 4 HD21 LEU 4 -5.824 -4.058 -4.465 40 HD22 LEU 4 HD22 LEU 4 -5.389 -3.007 -5.811 41 HD23 LEU 4 HD23 LEU 4 -4.446 -4.461 -5.488 42 H PHE 5 H PHE 5 -3.569 -0.530 -2.597 43 HA PHE 5 HA PHE 5 -0.904 -0.129 -3.266 44 HB2 PHE 5 HB2 PHE 5 -2.608 1.322 -4.150 45 HB3 PHE 5 HB3 PHE 5 -3.046 1.873 -2.536 46 HD1 PHE 5 HD1 PHE 5 0.295 1.484 -4.128 47 HD2 PHE 5 HD2 PHE 5 -2.599 4.138 -2.486 48 HE1 PHE 5 HE1 PHE 5 1.889 3.346 -4.337 49 HE2 PHE 5 HE2 PHE 5 -1.010 6.005 -2.695 50 HZ PHE 5 HZ PHE 5 1.238 5.610 -3.620 51 H ARG 6 H ARG 6 -2.597 0.510 -0.243 52 HA ARG 6 HA ARG 6 -0.506 1.922 1.032 53 HB2 ARG 6 HB2 ARG 6 -2.880 1.914 1.783 54 HB3 ARG 6 HB3 ARG 6 -2.671 0.252 2.318 55 HG2 ARG 6 HG2 ARG 6 -0.963 0.975 3.908 56 HG3 ARG 6 HG3 ARG 6 -1.174 2.644 3.371 57 HD2 ARG 6 HD2 ARG 6 -3.338 0.928 4.585 58 HD3 ARG 6 HD3 ARG 6 -2.390 2.127 5.464 59 HE ARG 6 HE ARG 6 -3.560 3.367 3.242 60 HH11 ARG 6 HH11 ARG 6 -4.475 1.928 6.278 61 HH12 ARG 6 HH12 ARG 6 -5.887 2.917 6.470 62 HH21 ARG 6 HH21 ARG 6 -5.414 4.674 3.483 63 HH22 ARG 6 HH22 ARG 6 -6.419 4.478 4.880 64 H GLY 7 H GLY 7 -1.384 -1.509 0.957 65 HA2 GLY 7 HA2 GLY 7 0.453 -2.442 2.851 66 HA3 GLY 7 HA3 GLY 7 -0.197 -3.390 1.522 67 H LYS 8 H LYS 8 0.856 -1.813 -0.600 68 HA LYS 8 HA LYS 8 3.430 -2.974 -0.823 69 HB2 LYS 8 HB2 LYS 8 1.785 -2.340 -2.693 70 HB3 LYS 8 HB3 LYS 8 2.421 -0.708 -2.532 71 HG2 LYS 8 HG2 LYS 8 3.769 -1.470 -4.188 72 HG3 LYS 8 HG3 LYS 8 4.730 -1.965 -2.792 73 HD2 LYS 8 HD2 LYS 8 4.673 -3.852 -4.194 74 HD3 LYS 8 HD3 LYS 8 3.485 -4.187 -2.931 75 HE2 LYS 8 HE2 LYS 8 1.688 -3.840 -4.356 76 HE3 LYS 8 HE3 LYS 8 2.642 -2.884 -5.489 77 HZ1 LYS 8 HZ1 LYS 8 2.894 -5.813 -5.059 78 HZ2 LYS 8 HZ2 LYS 8 2.140 -5.071 -6.381 79 HZ3 LYS 8 HZ3 LYS 8 3.808 -4.894 -6.149 80 H ALA 9 H ALA 9 2.317 0.317 -0.159 81 HA ALA 9 HA ALA 9 4.878 1.523 -0.180 82 HB1 ALA 9 HB1 ALA 9 3.005 2.943 -0.447 83 HB2 ALA 9 HB2 ALA 9 2.257 2.357 1.040 84 HB3 ALA 9 HB3 ALA 9 3.713 3.351 1.117 85 H ASP 10 H ASP 10 2.892 0.124 2.391 86 HA ASP 10 HA ASP 10 4.393 0.887 4.599 87 HB2 ASP 10 HB2 ASP 10 2.217 -0.176 4.828 88 HB3 ASP 10 HB3 ASP 10 2.848 -1.674 4.147 89 H VAL 11 H VAL 11 4.597 -2.228 2.867 90 HA VAL 11 HA VAL 11 6.861 -3.182 4.200 91 HB VAL 11 HB VAL 11 5.982 -3.801 1.378 92 HG11 VAL 11 HG11 VAL 11 8.279 -4.487 1.781 93 HG12 VAL 11 HG12 VAL 11 7.787 -5.327 3.253 94 HG13 VAL 11 HG13 VAL 11 7.224 -5.896 1.680 95 HG21 VAL 11 HG21 VAL 11 4.219 -4.765 2.335 96 HG22 VAL 11 HG22 VAL 11 5.331 -5.911 3.082 97 HG23 VAL 11 HG23 VAL 11 4.853 -4.453 3.951 98 H ALA 12 H ALA 12 6.558 -1.225 1.276 99 HA ALA 12 HA ALA 12 9.440 -0.660 1.451 100 HB1 ALA 12 HB1 ALA 12 8.698 -0.400 -1.253 101 HB2 ALA 12 HB2 ALA 12 9.782 -1.592 -0.533 102 HB3 ALA 12 HB3 ALA 12 8.063 -1.949 -0.700 103 H LEU 13 H LEU 13 9.526 1.390 2.123 104 HA LEU 13 HA LEU 13 7.570 3.334 1.874 105 HB2 LEU 13 HB2 LEU 13 10.505 3.386 2.360 106 HB3 LEU 13 HB3 LEU 13 9.683 4.909 2.028 107 HG LEU 13 HG LEU 13 9.938 4.550 4.421 108 HD11 LEU 13 HD11 LEU 13 7.676 4.971 5.083 109 HD12 LEU 13 HD12 LEU 13 7.943 5.725 3.512 110 HD13 LEU 13 HD13 LEU 13 7.054 4.207 3.622 111 HD21 LEU 13 HD21 LEU 13 9.820 1.988 4.118 112 HD22 LEU 13 HD22 LEU 13 9.138 2.704 5.579 113 HD23 LEU 13 HD23 LEU 13 8.076 2.209 4.260 114 HN1 NH2 14 HN1 NH2 14 10.184 2.491 -0.327 115 HN2 NH2 14 HN2 NH2 14 9.736 3.492 -1.637 Start of MODEL 15 1 H1 ILE 1 H ILE 1 -5.991 -1.794 -5.801 2 HA ILE 1 HA ILE 1 -7.641 0.614 -5.462 3 HB ILE 1 HB ILE 1 -8.735 -1.592 -5.097 4 HG12 ILE 1 HG12 ILE 1 -8.664 -0.265 -2.423 5 HG13 ILE 1 HG13 ILE 1 -9.180 0.687 -3.810 6 HG21 ILE 1 HG21 ILE 1 -6.446 -2.339 -3.888 7 HG22 ILE 1 HG22 ILE 1 -7.433 -1.946 -2.479 8 HG23 ILE 1 HG23 ILE 1 -7.995 -3.147 -3.642 9 HD11 ILE 1 HD11 ILE 1 -10.504 -1.857 -3.801 10 HD12 ILE 1 HD12 ILE 1 -10.724 -1.035 -2.257 11 HD13 ILE 1 HD13 ILE 1 -11.188 -0.232 -3.758 12 H PHE 2 H PHE 2 -7.471 1.886 -3.589 13 HA PHE 2 HA PHE 2 -4.927 2.510 -2.715 14 HB2 PHE 2 HB2 PHE 2 -6.988 3.933 -2.479 15 HB3 PHE 2 HB3 PHE 2 -7.448 2.935 -1.104 16 HD1 PHE 2 HD1 PHE 2 -4.140 4.310 -2.120 17 HD2 PHE 2 HD2 PHE 2 -7.259 4.256 0.778 18 HE1 PHE 2 HE1 PHE 2 -2.786 5.735 -0.640 19 HE2 PHE 2 HE2 PHE 2 -5.910 5.682 2.260 20 HZ PHE 2 HZ PHE 2 -3.671 6.425 1.552 21 H TRP 3 H TRP 3 -7.336 0.422 -1.167 22 HA TRP 3 HA TRP 3 -6.049 -0.115 1.215 23 HB2 TRP 3 HB2 TRP 3 -8.358 -0.916 0.284 24 HB3 TRP 3 HB3 TRP 3 -7.446 -2.323 -0.257 25 HD1 TRP 3 HD1 TRP 3 -8.486 -0.509 2.976 26 HE1 TRP 3 HE1 TRP 3 -8.355 -2.188 4.922 27 HE3 TRP 3 HE3 TRP 3 -6.397 -4.463 0.498 28 HZ2 TRP 3 HZ2 TRP 3 -7.480 -4.838 5.352 29 HZ3 TRP 3 HZ3 TRP 3 -5.945 -6.532 1.749 30 HH2 TRP 3 HH2 TRP 3 -6.476 -6.715 4.127 31 H LEU 4 H LEU 4 -5.479 -1.494 -1.971 32 HA LEU 4 HA LEU 4 -3.598 -3.449 -1.014 33 HB2 LEU 4 HB2 LEU 4 -4.801 -4.021 -2.966 34 HB3 LEU 4 HB3 LEU 4 -4.397 -2.495 -3.750 35 HG LEU 4 HG LEU 4 -2.034 -3.254 -3.883 36 HD11 LEU 4 HD11 LEU 4 -1.946 -5.889 -3.682 37 HD12 LEU 4 HD12 LEU 4 -1.617 -4.838 -2.303 38 HD13 LEU 4 HD13 LEU 4 -3.201 -5.594 -2.479 39 HD21 LEU 4 HD21 LEU 4 -4.230 -4.813 -5.203 40 HD22 LEU 4 HD22 LEU 4 -3.245 -3.508 -5.865 41 HD23 LEU 4 HD23 LEU 4 -2.534 -5.099 -5.589 42 H PHE 5 H PHE 5 -3.429 -0.302 -2.619 43 HA PHE 5 HA PHE 5 -0.680 -0.220 -3.090 44 HB2 PHE 5 HB2 PHE 5 -2.594 1.420 -3.789 45 HB3 PHE 5 HB3 PHE 5 -2.181 2.247 -2.291 46 HD1 PHE 5 HD1 PHE 5 -0.164 0.627 -4.980 47 HD2 PHE 5 HD2 PHE 5 -0.965 4.141 -2.715 48 HE1 PHE 5 HE1 PHE 5 1.676 1.786 -6.132 49 HE2 PHE 5 HE2 PHE 5 0.873 5.305 -3.864 50 HZ PHE 5 HZ PHE 5 2.197 4.127 -5.574 51 H ARG 6 H ARG 6 -2.544 0.597 -0.211 52 HA ARG 6 HA ARG 6 -0.580 1.842 1.302 53 HB2 ARG 6 HB2 ARG 6 -3.007 0.230 1.968 54 HB3 ARG 6 HB3 ARG 6 -1.893 0.653 3.261 55 HG2 ARG 6 HG2 ARG 6 -3.042 2.708 1.401 56 HG3 ARG 6 HG3 ARG 6 -3.858 2.204 2.883 57 HD2 ARG 6 HD2 ARG 6 -1.064 3.333 2.728 58 HD3 ARG 6 HD3 ARG 6 -2.504 4.242 3.188 59 HE ARG 6 HE ARG 6 -1.035 2.374 4.812 60 HH11 ARG 6 HH11 ARG 6 -4.093 3.962 4.307 61 HH12 ARG 6 HH12 ARG 6 -4.606 3.781 5.952 62 HH21 ARG 6 HH21 ARG 6 -1.700 2.131 6.981 63 HH22 ARG 6 HH22 ARG 6 -3.244 2.741 7.473 64 H GLY 7 H GLY 7 -1.346 -1.627 1.078 65 HA2 GLY 7 HA2 GLY 7 0.599 -2.513 2.908 66 HA3 GLY 7 HA3 GLY 7 -0.124 -3.487 1.636 67 H LYS 8 H LYS 8 0.793 -1.804 -0.531 68 HA LYS 8 HA LYS 8 3.347 -2.987 -0.935 69 HB2 LYS 8 HB2 LYS 8 1.870 -0.860 -2.497 70 HB3 LYS 8 HB3 LYS 8 3.359 -1.628 -3.034 71 HG2 LYS 8 HG2 LYS 8 0.917 -3.235 -2.372 72 HG3 LYS 8 HG3 LYS 8 1.153 -2.510 -3.965 73 HD2 LYS 8 HD2 LYS 8 3.209 -4.282 -2.666 74 HD3 LYS 8 HD3 LYS 8 1.917 -4.915 -3.688 75 HE2 LYS 8 HE2 LYS 8 3.928 -2.833 -4.536 76 HE3 LYS 8 HE3 LYS 8 4.043 -4.553 -4.907 77 HZ1 LYS 8 HZ1 LYS 8 2.312 -2.517 -6.053 78 HZ2 LYS 8 HZ2 LYS 8 2.985 -3.895 -6.767 79 HZ3 LYS 8 HZ3 LYS 8 1.602 -4.033 -5.802 80 H ALA 9 H ALA 9 2.252 0.224 -0.012 81 HA ALA 9 HA ALA 9 4.849 1.426 -0.205 82 HB1 ALA 9 HB1 ALA 9 2.280 2.359 1.061 83 HB2 ALA 9 HB2 ALA 9 3.754 3.325 1.002 84 HB3 ALA 9 HB3 ALA 9 2.955 2.845 -0.495 85 H ASP 10 H ASP 10 2.876 0.064 2.384 86 HA ASP 10 HA ASP 10 4.322 0.870 4.599 87 HB2 ASP 10 HB2 ASP 10 2.138 -0.483 4.479 88 HB3 ASP 10 HB3 ASP 10 3.173 -1.903 4.363 89 H VAL 11 H VAL 11 4.727 -2.198 2.822 90 HA VAL 11 HA VAL 11 7.037 -3.016 4.199 91 HB VAL 11 HB VAL 11 5.708 -4.597 2.915 92 HG11 VAL 11 HG11 VAL 11 5.239 -2.901 1.067 93 HG12 VAL 11 HG12 VAL 11 6.788 -3.392 0.384 94 HG13 VAL 11 HG13 VAL 11 5.494 -4.575 0.578 95 HG21 VAL 11 HG21 VAL 11 8.376 -4.503 1.552 96 HG22 VAL 11 HG22 VAL 11 8.246 -4.840 3.278 97 HG23 VAL 11 HG23 VAL 11 7.461 -5.904 2.112 98 H ALA 12 H ALA 12 6.580 -1.054 1.316 99 HA ALA 12 HA ALA 12 9.256 -1.014 0.442 100 HB1 ALA 12 HB1 ALA 12 6.813 0.536 -0.106 101 HB2 ALA 12 HB2 ALA 12 8.336 1.361 -0.438 102 HB3 ALA 12 HB3 ALA 12 7.980 -0.181 -1.217 103 H LEU 13 H LEU 13 10.888 0.537 0.713 104 HA LEU 13 HA LEU 13 10.642 2.127 3.180 105 HB2 LEU 13 HB2 LEU 13 12.287 0.370 3.376 106 HB3 LEU 13 HB3 LEU 13 13.072 0.898 1.889 107 HG LEU 13 HG LEU 13 13.372 3.138 3.263 108 HD11 LEU 13 HD11 LEU 13 13.006 1.013 5.356 109 HD12 LEU 13 HD12 LEU 13 13.936 2.485 5.642 110 HD13 LEU 13 HD13 LEU 13 12.221 2.589 5.243 111 HD21 LEU 13 HD21 LEU 13 15.191 0.903 4.036 112 HD22 LEU 13 HD22 LEU 13 15.052 1.358 2.339 113 HD23 LEU 13 HD23 LEU 13 15.579 2.548 3.531 114 HN1 NH2 14 HN1 NH2 14 9.805 3.965 2.137 115 HN2 NH2 14 HN2 NH2 14 10.734 4.992 1.138 Start of MODEL 16 1 H1 ILE 1 H ILE 1 -9.090 -0.348 -3.355 2 HA ILE 1 HA ILE 1 -6.822 -1.492 -4.846 3 HB ILE 1 HB ILE 1 -8.005 1.251 -5.287 4 HG12 ILE 1 HG12 ILE 1 -8.059 -1.145 -7.133 5 HG13 ILE 1 HG13 ILE 1 -9.413 -0.655 -6.120 6 HG21 ILE 1 HG21 ILE 1 -6.415 0.733 -7.425 7 HG22 ILE 1 HG22 ILE 1 -5.914 1.649 -6.003 8 HG23 ILE 1 HG23 ILE 1 -5.521 -0.065 -6.131 9 HD11 ILE 1 HD11 ILE 1 -9.878 0.216 -8.234 10 HD12 ILE 1 HD12 ILE 1 -9.273 1.589 -7.305 11 HD13 ILE 1 HD13 ILE 1 -8.221 0.776 -8.465 12 H PHE 2 H PHE 2 -7.849 1.364 -2.978 13 HA PHE 2 HA PHE 2 -5.349 2.368 -2.350 14 HB2 PHE 2 HB2 PHE 2 -6.417 3.493 -0.470 15 HB3 PHE 2 HB3 PHE 2 -7.477 3.533 -1.876 16 HD1 PHE 2 HD1 PHE 2 -7.035 2.348 1.518 17 HD2 PHE 2 HD2 PHE 2 -9.473 2.095 -1.961 18 HE1 PHE 2 HE1 PHE 2 -8.841 1.357 2.861 19 HE2 PHE 2 HE2 PHE 2 -11.284 1.102 -0.624 20 HZ PHE 2 HZ PHE 2 -10.969 0.733 1.790 21 H TRP 3 H TRP 3 -7.151 -0.244 -0.838 22 HA TRP 3 HA TRP 3 -5.565 -0.557 1.458 23 HB2 TRP 3 HB2 TRP 3 -7.830 -1.618 0.956 24 HB3 TRP 3 HB3 TRP 3 -6.948 -2.814 0.011 25 HD1 TRP 3 HD1 TRP 3 -5.224 -4.423 1.405 26 HE1 TRP 3 HE1 TRP 3 -5.328 -5.232 3.846 27 HE3 TRP 3 HE3 TRP 3 -8.533 -0.994 3.260 28 HZ2 TRP 3 HZ2 TRP 3 -6.639 -4.514 6.241 29 HZ3 TRP 3 HZ3 TRP 3 -9.160 -1.125 5.636 30 HH2 TRP 3 HH2 TRP 3 -8.232 -2.849 7.094 31 H LEU 4 H LEU 4 -5.257 -1.865 -1.804 32 HA LEU 4 HA LEU 4 -3.011 -3.531 -1.140 33 HB2 LEU 4 HB2 LEU 4 -4.372 -4.269 -2.923 34 HB3 LEU 4 HB3 LEU 4 -4.297 -2.701 -3.727 35 HG LEU 4 HG LEU 4 -1.963 -3.091 -4.302 36 HD11 LEU 4 HD11 LEU 4 -1.201 -4.396 -2.461 37 HD12 LEU 4 HD12 LEU 4 -2.353 -5.683 -2.820 38 HD13 LEU 4 HD13 LEU 4 -1.009 -5.370 -3.919 39 HD21 LEU 4 HD21 LEU 4 -3.586 -5.512 -5.058 40 HD22 LEU 4 HD22 LEU 4 -3.846 -3.910 -5.751 41 HD23 LEU 4 HD23 LEU 4 -2.304 -4.733 -5.985 42 H PHE 5 H PHE 5 -3.490 -0.375 -2.646 43 HA PHE 5 HA PHE 5 -0.849 0.068 -3.481 44 HB2 PHE 5 HB2 PHE 5 -3.076 1.417 -3.901 45 HB3 PHE 5 HB3 PHE 5 -2.531 2.341 -2.504 46 HD1 PHE 5 HD1 PHE 5 -1.890 1.508 -5.998 47 HD2 PHE 5 HD2 PHE 5 -0.534 3.709 -2.617 48 HE1 PHE 5 HE1 PHE 5 -0.416 2.831 -7.456 49 HE2 PHE 5 HE2 PHE 5 0.943 5.036 -4.069 50 HZ PHE 5 HZ PHE 5 1.003 4.599 -6.493 51 H ARG 6 H ARG 6 -2.491 1.245 -0.540 52 HA ARG 6 HA ARG 6 -0.296 2.436 0.668 53 HB2 ARG 6 HB2 ARG 6 -2.750 1.129 1.830 54 HB3 ARG 6 HB3 ARG 6 -1.545 1.918 2.840 55 HG2 ARG 6 HG2 ARG 6 -1.912 4.009 1.569 56 HG3 ARG 6 HG3 ARG 6 -3.201 3.197 0.676 57 HD2 ARG 6 HD2 ARG 6 -4.254 4.413 2.412 58 HD3 ARG 6 HD3 ARG 6 -4.279 2.721 2.905 59 HE ARG 6 HE ARG 6 -2.024 3.673 4.059 60 HH11 ARG 6 HH11 ARG 6 -5.342 4.726 4.051 61 HH12 ARG 6 HH12 ARG 6 -5.261 5.426 5.633 62 HH21 ARG 6 HH21 ARG 6 -1.903 4.591 6.143 63 HH22 ARG 6 HH22 ARG 6 -3.303 5.350 6.823 64 H GLY 7 H GLY 7 -1.459 -0.912 0.958 65 HA2 GLY 7 HA2 GLY 7 0.343 -1.841 2.855 66 HA3 GLY 7 HA3 GLY 7 -0.372 -2.832 1.591 67 H LYS 8 H LYS 8 0.722 -1.807 -0.682 68 HA LYS 8 HA LYS 8 3.183 -3.062 -0.855 69 HB2 LYS 8 HB2 LYS 8 1.543 -2.134 -2.694 70 HB3 LYS 8 HB3 LYS 8 2.594 -0.727 -2.629 71 HG2 LYS 8 HG2 LYS 8 3.845 -3.405 -2.925 72 HG3 LYS 8 HG3 LYS 8 3.028 -2.694 -4.318 73 HD2 LYS 8 HD2 LYS 8 4.985 -1.066 -2.751 74 HD3 LYS 8 HD3 LYS 8 5.570 -2.250 -3.923 75 HE2 LYS 8 HE2 LYS 8 3.565 -0.092 -4.565 76 HE3 LYS 8 HE3 LYS 8 5.302 0.077 -4.813 77 HZ1 LYS 8 HZ1 LYS 8 4.544 -2.320 -5.990 78 HZ2 LYS 8 HZ2 LYS 8 3.398 -1.172 -6.474 79 HZ3 LYS 8 HZ3 LYS 8 5.042 -0.902 -6.766 80 H ALA 9 H ALA 9 2.442 0.311 -0.147 81 HA ALA 9 HA ALA 9 5.174 1.166 -0.176 82 HB1 ALA 9 HB1 ALA 9 3.439 2.766 -0.646 83 HB2 ALA 9 HB2 ALA 9 2.693 2.478 0.924 84 HB3 ALA 9 HB3 ALA 9 4.276 3.247 0.829 85 H ASP 10 H ASP 10 2.890 0.123 2.296 86 HA ASP 10 HA ASP 10 4.296 0.850 4.583 87 HB2 ASP 10 HB2 ASP 10 1.952 -0.129 4.427 88 HB3 ASP 10 HB3 ASP 10 2.720 -1.710 4.318 89 H VAL 11 H VAL 11 4.379 -2.282 2.877 90 HA VAL 11 HA VAL 11 6.531 -3.290 4.456 91 HB VAL 11 HB VAL 11 6.620 -5.124 2.807 92 HG11 VAL 11 HG11 VAL 11 5.103 -5.792 4.333 93 HG12 VAL 11 HG12 VAL 11 4.185 -4.291 4.232 94 HG13 VAL 11 HG13 VAL 11 3.959 -5.547 3.014 95 HG21 VAL 11 HG21 VAL 11 6.105 -4.528 0.704 96 HG22 VAL 11 HG22 VAL 11 4.441 -4.843 1.198 97 HG23 VAL 11 HG23 VAL 11 5.074 -3.197 1.229 98 H ALA 12 H ALA 12 6.279 -1.669 1.349 99 HA ALA 12 HA ALA 12 9.217 -1.486 1.283 100 HB1 ALA 12 HB1 ALA 12 7.564 -1.649 -1.218 101 HB2 ALA 12 HB2 ALA 12 9.304 -1.863 -1.027 102 HB3 ALA 12 HB3 ALA 12 8.193 -3.090 -0.418 103 H LEU 13 H LEU 13 9.070 0.573 2.267 104 HA LEU 13 HA LEU 13 7.466 2.691 1.481 105 HB2 LEU 13 HB2 LEU 13 10.208 2.578 2.690 106 HB3 LEU 13 HB3 LEU 13 9.424 4.116 2.335 107 HG LEU 13 HG LEU 13 8.007 2.101 4.025 108 HD11 LEU 13 HD11 LEU 13 10.261 3.889 4.901 109 HD12 LEU 13 HD12 LEU 13 9.056 3.235 6.011 110 HD13 LEU 13 HD13 LEU 13 10.110 2.145 5.111 111 HD21 LEU 13 HD21 LEU 13 6.572 3.777 4.251 112 HD22 LEU 13 HD22 LEU 13 7.847 4.814 4.891 113 HD23 LEU 13 HD23 LEU 13 7.551 4.747 3.152 114 HN1 NH2 14 HN1 NH2 14 7.392 3.974 -0.246 115 HN2 NH2 14 HN2 NH2 14 8.563 4.134 -1.480 Start of MODEL 17 1 H1 ILE 1 H ILE 1 -9.032 -1.509 -4.517 2 HA ILE 1 HA ILE 1 -6.397 -1.643 -4.855 3 HB ILE 1 HB ILE 1 -7.864 -0.616 -6.516 4 HG12 ILE 1 HG12 ILE 1 -6.322 1.160 -7.294 5 HG13 ILE 1 HG13 ILE 1 -5.545 1.158 -5.715 6 HG21 ILE 1 HG21 ILE 1 -9.020 1.296 -6.231 7 HG22 ILE 1 HG22 ILE 1 -8.796 0.940 -4.517 8 HG23 ILE 1 HG23 ILE 1 -7.718 2.073 -5.332 9 HD11 ILE 1 HD11 ILE 1 -4.468 -0.811 -6.099 10 HD12 ILE 1 HD12 ILE 1 -5.704 -1.401 -7.210 11 HD13 ILE 1 HD13 ILE 1 -4.550 -0.178 -7.742 12 H PHE 2 H PHE 2 -7.993 0.683 -2.760 13 HA PHE 2 HA PHE 2 -5.775 2.322 -2.215 14 HB2 PHE 2 HB2 PHE 2 -8.155 1.689 -0.458 15 HB3 PHE 2 HB3 PHE 2 -7.034 3.024 -0.211 16 HD1 PHE 2 HD1 PHE 2 -9.914 1.827 -2.030 17 HD2 PHE 2 HD2 PHE 2 -6.959 4.885 -1.845 18 HE1 PHE 2 HE1 PHE 2 -11.298 3.250 -3.485 19 HE2 PHE 2 HE2 PHE 2 -8.339 6.311 -3.299 20 HZ PHE 2 HZ PHE 2 -10.511 5.494 -4.122 21 H TRP 3 H TRP 3 -7.039 -0.533 -0.528 22 HA TRP 3 HA TRP 3 -5.191 -0.555 1.578 23 HB2 TRP 3 HB2 TRP 3 -7.218 -1.909 1.627 24 HB3 TRP 3 HB3 TRP 3 -6.639 -2.866 0.267 25 HD1 TRP 3 HD1 TRP 3 -6.029 -5.180 1.165 26 HE1 TRP 3 HE1 TRP 3 -4.733 -6.093 3.193 27 HE3 TRP 3 HE3 TRP 3 -5.064 -0.769 3.562 28 HZ2 TRP 3 HZ2 TRP 3 -3.468 -5.076 5.503 29 HZ3 TRP 3 HZ3 TRP 3 -3.806 -0.826 5.677 30 HH2 TRP 3 HH2 TRP 3 -3.026 -2.936 6.624 31 H LEU 4 H LEU 4 -5.060 -2.000 -1.646 32 HA LEU 4 HA LEU 4 -2.613 -3.386 -1.236 33 HB2 LEU 4 HB2 LEU 4 -3.967 -4.170 -2.982 34 HB3 LEU 4 HB3 LEU 4 -4.162 -2.559 -3.668 35 HG LEU 4 HG LEU 4 -1.900 -2.591 -4.504 36 HD11 LEU 4 HD11 LEU 4 -1.014 -5.205 -4.148 37 HD12 LEU 4 HD12 LEU 4 -0.362 -3.747 -3.398 38 HD13 LEU 4 HD13 LEU 4 -1.589 -4.696 -2.559 39 HD21 LEU 4 HD21 LEU 4 -2.104 -4.303 -6.166 40 HD22 LEU 4 HD22 LEU 4 -3.199 -5.234 -5.144 41 HD23 LEU 4 HD23 LEU 4 -3.719 -3.687 -5.811 42 H PHE 5 H PHE 5 -3.389 -0.337 -2.907 43 HA PHE 5 HA PHE 5 -0.817 0.368 -3.672 44 HB2 PHE 5 HB2 PHE 5 -2.691 1.605 -4.516 45 HB3 PHE 5 HB3 PHE 5 -3.168 2.098 -2.895 46 HD1 PHE 5 HD1 PHE 5 0.078 2.172 -4.730 47 HD2 PHE 5 HD2 PHE 5 -2.925 4.366 -2.661 48 HE1 PHE 5 HE1 PHE 5 1.418 4.223 -4.967 49 HE2 PHE 5 HE2 PHE 5 -1.591 6.420 -2.895 50 HZ PHE 5 HZ PHE 5 0.584 6.350 -4.049 51 H ARG 6 H ARG 6 -2.481 0.905 -0.604 52 HA ARG 6 HA ARG 6 -0.371 2.462 0.537 53 HB2 ARG 6 HB2 ARG 6 -2.893 2.351 1.189 54 HB3 ARG 6 HB3 ARG 6 -2.402 0.973 2.166 55 HG2 ARG 6 HG2 ARG 6 -0.711 2.466 3.256 56 HG3 ARG 6 HG3 ARG 6 -1.459 3.817 2.402 57 HD2 ARG 6 HD2 ARG 6 -3.579 3.366 3.489 58 HD3 ARG 6 HD3 ARG 6 -2.893 1.951 4.287 59 HE ARG 6 HE ARG 6 -2.639 4.672 5.106 60 HH11 ARG 6 HH11 ARG 6 -1.030 1.585 5.088 61 HH12 ARG 6 HH12 ARG 6 -0.083 1.925 6.498 62 HH21 ARG 6 HH21 ARG 6 -1.398 5.131 6.963 63 HH22 ARG 6 HH22 ARG 6 -0.294 3.941 7.565 64 H GLY 7 H GLY 7 -1.533 -0.860 1.140 65 HA2 GLY 7 HA2 GLY 7 0.389 -1.655 2.964 66 HA3 GLY 7 HA3 GLY 7 -0.407 -2.740 1.833 67 H LYS 8 H LYS 8 0.580 -1.718 -0.576 68 HA LYS 8 HA LYS 8 2.967 -3.099 -0.866 69 HB2 LYS 8 HB2 LYS 8 1.388 -2.343 -2.693 70 HB3 LYS 8 HB3 LYS 8 2.131 -0.753 -2.573 71 HG2 LYS 8 HG2 LYS 8 4.339 -1.907 -3.028 72 HG3 LYS 8 HG3 LYS 8 3.389 -3.330 -3.460 73 HD2 LYS 8 HD2 LYS 8 2.991 -0.617 -4.710 74 HD3 LYS 8 HD3 LYS 8 4.052 -1.854 -5.386 75 HE2 LYS 8 HE2 LYS 8 2.163 -3.382 -5.579 76 HE3 LYS 8 HE3 LYS 8 1.098 -2.173 -4.865 77 HZ1 LYS 8 HZ1 LYS 8 2.614 -1.360 -7.217 78 HZ2 LYS 8 HZ2 LYS 8 1.370 -2.477 -7.471 79 HZ3 LYS 8 HZ3 LYS 8 1.029 -0.978 -6.765 80 H ALA 9 H ALA 9 2.410 0.299 -0.123 81 HA ALA 9 HA ALA 9 5.191 1.008 -0.293 82 HB1 ALA 9 HB1 ALA 9 3.279 2.586 -0.707 83 HB2 ALA 9 HB2 ALA 9 2.995 2.586 1.033 84 HB3 ALA 9 HB3 ALA 9 4.525 3.184 0.387 85 H ASP 10 H ASP 10 2.901 0.264 2.292 86 HA ASP 10 HA ASP 10 4.446 0.947 4.497 87 HB2 ASP 10 HB2 ASP 10 1.991 0.061 4.323 88 HB3 ASP 10 HB3 ASP 10 2.740 -1.518 4.541 89 H VAL 11 H VAL 11 4.125 -2.302 3.056 90 HA VAL 11 HA VAL 11 6.242 -3.420 4.573 91 HB VAL 11 HB VAL 11 4.496 -4.826 3.608 92 HG11 VAL 11 HG11 VAL 11 3.937 -4.898 1.426 93 HG12 VAL 11 HG12 VAL 11 4.721 -3.319 1.374 94 HG13 VAL 11 HG13 VAL 11 5.609 -4.762 0.884 95 HG21 VAL 11 HG21 VAL 11 5.887 -6.624 2.814 96 HG22 VAL 11 HG22 VAL 11 7.179 -5.496 2.403 97 HG23 VAL 11 HG23 VAL 11 6.742 -5.761 4.092 98 H ALA 12 H ALA 12 6.069 -1.911 1.404 99 HA ALA 12 HA ALA 12 7.667 -1.231 -0.068 100 HB1 ALA 12 HB1 ALA 12 9.546 -1.373 2.284 101 HB2 ALA 12 HB2 ALA 12 9.728 -0.399 0.824 102 HB3 ALA 12 HB3 ALA 12 8.441 -0.033 1.974 103 H LEU 13 H LEU 13 7.145 -3.901 -0.217 104 HA LEU 13 HA LEU 13 9.759 -5.223 -0.401 105 HB2 LEU 13 HB2 LEU 13 8.115 -6.456 0.848 106 HB3 LEU 13 HB3 LEU 13 6.951 -6.315 -0.467 107 HG LEU 13 HG LEU 13 8.450 -7.733 -1.861 108 HD11 LEU 13 HD11 LEU 13 10.186 -9.040 -0.706 109 HD12 LEU 13 HD12 LEU 13 10.554 -7.315 -0.744 110 HD13 LEU 13 HD13 LEU 13 9.945 -8.055 0.738 111 HD21 LEU 13 HD21 LEU 13 6.800 -9.076 -1.112 112 HD22 LEU 13 HD22 LEU 13 8.099 -9.787 -0.154 113 HD23 LEU 13 HD23 LEU 13 7.020 -8.592 0.570 114 HN1 NH2 14 HN1 NH2 14 10.726 -5.329 -2.308 115 HN2 NH2 14 HN2 NH2 14 10.009 -5.280 -3.857 Start of MODEL 18 1 H1 ILE 1 H ILE 1 -9.796 -0.969 -4.010 2 HA ILE 1 HA ILE 1 -7.319 -1.925 -4.258 3 HB ILE 1 HB ILE 1 -6.806 -0.209 -5.944 4 HG12 ILE 1 HG12 ILE 1 -9.042 1.348 -6.190 5 HG13 ILE 1 HG13 ILE 1 -8.875 1.251 -4.441 6 HG21 ILE 1 HG21 ILE 1 -8.713 -2.107 -6.062 7 HG22 ILE 1 HG22 ILE 1 -9.668 -0.678 -6.453 8 HG23 ILE 1 HG23 ILE 1 -8.257 -1.089 -7.428 9 HD11 ILE 1 HD11 ILE 1 -6.313 1.782 -5.335 10 HD12 ILE 1 HD12 ILE 1 -7.351 2.768 -6.365 11 HD13 ILE 1 HD13 ILE 1 -7.441 2.929 -4.612 12 H PHE 2 H PHE 2 -8.127 1.090 -2.648 13 HA PHE 2 HA PHE 2 -5.587 2.189 -2.374 14 HB2 PHE 2 HB2 PHE 2 -7.961 2.315 -0.505 15 HB3 PHE 2 HB3 PHE 2 -6.522 3.316 -0.337 16 HD1 PHE 2 HD1 PHE 2 -9.702 2.953 -1.914 17 HD2 PHE 2 HD2 PHE 2 -5.913 4.863 -2.255 18 HE1 PHE 2 HE1 PHE 2 -10.677 4.603 -3.458 19 HE2 PHE 2 HE2 PHE 2 -6.882 6.517 -3.796 20 HZ PHE 2 HZ PHE 2 -9.266 6.388 -4.402 21 H TRP 3 H TRP 3 -7.197 -0.312 -0.500 22 HA TRP 3 HA TRP 3 -5.456 -0.457 1.673 23 HB2 TRP 3 HB2 TRP 3 -7.681 -1.674 1.321 24 HB3 TRP 3 HB3 TRP 3 -6.755 -2.870 0.417 25 HD1 TRP 3 HD1 TRP 3 -4.650 -4.026 1.911 26 HE1 TRP 3 HE1 TRP 3 -4.704 -4.779 4.373 27 HE3 TRP 3 HE3 TRP 3 -8.662 -1.291 3.508 28 HZ2 TRP 3 HZ2 TRP 3 -6.245 -4.280 6.685 29 HZ3 TRP 3 HZ3 TRP 3 -9.363 -1.485 5.860 30 HH2 TRP 3 HH2 TRP 3 -8.177 -2.951 7.413 31 H LEU 4 H LEU 4 -5.269 -1.996 -1.508 32 HA LEU 4 HA LEU 4 -2.873 -3.444 -0.888 33 HB2 LEU 4 HB2 LEU 4 -4.187 -2.832 -3.532 34 HB3 LEU 4 HB3 LEU 4 -2.835 -3.940 -3.306 35 HG LEU 4 HG LEU 4 -5.364 -4.423 -1.800 36 HD11 LEU 4 HD11 LEU 4 -4.989 -5.411 -4.610 37 HD12 LEU 4 HD12 LEU 4 -6.427 -5.499 -3.593 38 HD13 LEU 4 HD13 LEU 4 -5.898 -3.946 -4.241 39 HD21 LEU 4 HD21 LEU 4 -4.669 -6.705 -1.938 40 HD22 LEU 4 HD22 LEU 4 -3.413 -6.310 -3.111 41 HD23 LEU 4 HD23 LEU 4 -3.274 -5.746 -1.445 42 H PHE 5 H PHE 5 -3.642 -0.506 -2.718 43 HA PHE 5 HA PHE 5 -1.150 0.081 -3.754 44 HB2 PHE 5 HB2 PHE 5 -3.189 1.351 -4.292 45 HB3 PHE 5 HB3 PHE 5 -3.184 2.043 -2.673 46 HD1 PHE 5 HD1 PHE 5 -1.143 1.803 -5.767 47 HD2 PHE 5 HD2 PHE 5 -2.051 4.022 -2.249 48 HE1 PHE 5 HE1 PHE 5 0.282 3.644 -6.563 49 HE2 PHE 5 HE2 PHE 5 -0.628 5.867 -3.041 50 HZ PHE 5 HZ PHE 5 0.542 5.679 -5.201 51 H ARG 6 H ARG 6 -2.480 1.182 -0.637 52 HA ARG 6 HA ARG 6 -0.107 2.447 0.226 53 HB2 ARG 6 HB2 ARG 6 -1.156 2.546 2.413 54 HB3 ARG 6 HB3 ARG 6 -2.340 2.926 1.170 55 HG2 ARG 6 HG2 ARG 6 -2.984 0.441 1.318 56 HG3 ARG 6 HG3 ARG 6 -2.101 0.460 2.846 57 HD2 ARG 6 HD2 ARG 6 -3.561 2.564 3.338 58 HD3 ARG 6 HD3 ARG 6 -4.603 1.902 2.079 59 HE ARG 6 HE ARG 6 -4.193 -0.203 3.741 60 HH11 ARG 6 HH11 ARG 6 -5.302 3.064 4.208 61 HH12 ARG 6 HH12 ARG 6 -6.314 2.667 5.557 62 HH21 ARG 6 HH21 ARG 6 -5.521 -0.738 5.516 63 HH22 ARG 6 HH22 ARG 6 -6.437 0.504 6.300 64 H GLY 7 H GLY 7 -1.344 -0.829 0.585 65 HA2 GLY 7 HA2 GLY 7 0.378 -1.788 2.552 66 HA3 GLY 7 HA3 GLY 7 -0.321 -2.767 1.271 67 H LYS 8 H LYS 8 0.910 -1.463 -0.926 68 HA LYS 8 HA LYS 8 3.293 -2.888 -1.134 69 HB2 LYS 8 HB2 LYS 8 1.790 -1.734 -2.947 70 HB3 LYS 8 HB3 LYS 8 2.879 -0.374 -2.710 71 HG2 LYS 8 HG2 LYS 8 3.721 -1.595 -4.540 72 HG3 LYS 8 HG3 LYS 8 4.779 -1.959 -3.175 73 HD2 LYS 8 HD2 LYS 8 3.537 -4.055 -2.802 74 HD3 LYS 8 HD3 LYS 8 2.534 -3.692 -4.209 75 HE2 LYS 8 HE2 LYS 8 4.862 -3.497 -5.411 76 HE3 LYS 8 HE3 LYS 8 5.399 -4.508 -4.070 77 HZ1 LYS 8 HZ1 LYS 8 4.775 -5.934 -5.838 78 HZ2 LYS 8 HZ2 LYS 8 3.556 -6.054 -4.671 79 HZ3 LYS 8 HZ3 LYS 8 3.301 -5.137 -6.070 80 H ALA 9 H ALA 9 2.721 0.473 -0.209 81 HA ALA 9 HA ALA 9 5.519 1.096 -0.001 82 HB1 ALA 9 HB1 ALA 9 4.860 3.254 0.612 83 HB2 ALA 9 HB2 ALA 9 3.608 2.721 -0.508 84 HB3 ALA 9 HB3 ALA 9 3.304 2.702 1.229 85 H ASP 10 H ASP 10 2.923 0.227 2.224 86 HA ASP 10 HA ASP 10 4.132 0.758 4.653 87 HB2 ASP 10 HB2 ASP 10 1.844 0.079 4.625 88 HB3 ASP 10 HB3 ASP 10 2.240 -1.450 3.846 89 H VAL 11 H VAL 11 4.200 -2.337 2.880 90 HA VAL 11 HA VAL 11 5.935 -3.696 4.574 91 HB VAL 11 HB VAL 11 6.498 -5.108 2.599 92 HG11 VAL 11 HG11 VAL 11 4.616 -6.222 3.006 93 HG12 VAL 11 HG12 VAL 11 4.072 -4.823 3.934 94 HG13 VAL 11 HG13 VAL 11 3.638 -4.976 2.231 95 HG21 VAL 11 HG21 VAL 11 5.266 -4.648 0.487 96 HG22 VAL 11 HG22 VAL 11 4.813 -3.075 1.143 97 HG23 VAL 11 HG23 VAL 11 6.512 -3.455 0.856 98 H ALA 12 H ALA 12 6.621 -1.464 1.943 99 HA ALA 12 HA ALA 12 9.464 -1.919 2.035 100 HB1 ALA 12 HB1 ALA 12 9.367 0.261 0.574 101 HB2 ALA 12 HB2 ALA 12 8.847 -1.291 -0.083 102 HB3 ALA 12 HB3 ALA 12 7.649 -0.131 0.490 103 H LEU 13 H LEU 13 9.260 -1.482 4.497 104 HA LEU 13 HA LEU 13 9.013 1.193 5.400 105 HB2 LEU 13 HB2 LEU 13 8.841 -0.998 6.726 106 HB3 LEU 13 HB3 LEU 13 10.600 -0.932 6.802 107 HG LEU 13 HG LEU 13 9.007 1.415 7.737 108 HD11 LEU 13 HD11 LEU 13 9.639 -0.901 9.540 109 HD12 LEU 13 HD12 LEU 13 8.627 0.507 9.865 110 HD13 LEU 13 HD13 LEU 13 8.078 -0.732 8.737 111 HD21 LEU 13 HD21 LEU 13 11.712 0.737 7.626 112 HD22 LEU 13 HD22 LEU 13 10.986 2.102 8.472 113 HD23 LEU 13 HD23 LEU 13 11.261 0.584 9.324 114 HN1 NH2 14 HN1 NH2 14 10.335 2.764 4.755 115 HN2 NH2 14 HN2 NH2 14 12.039 2.714 4.639 Start of MODEL 19 1 H1 ILE 1 H ILE 1 -5.683 -0.653 -6.025 2 HA ILE 1 HA ILE 1 -8.177 0.182 -4.856 3 HB ILE 1 HB ILE 1 -6.874 -2.309 -3.757 4 HG12 ILE 1 HG12 ILE 1 -9.521 -2.042 -5.198 5 HG13 ILE 1 HG13 ILE 1 -8.052 -2.687 -5.924 6 HG21 ILE 1 HG21 ILE 1 -9.421 -2.079 -2.722 7 HG22 ILE 1 HG22 ILE 1 -7.918 -1.676 -1.892 8 HG23 ILE 1 HG23 ILE 1 -8.826 -0.417 -2.731 9 HD11 ILE 1 HD11 ILE 1 -9.954 -3.934 -4.085 10 HD12 ILE 1 HD12 ILE 1 -8.892 -4.656 -5.293 11 HD13 ILE 1 HD13 ILE 1 -8.256 -4.224 -3.705 12 H PHE 2 H PHE 2 -7.909 1.313 -2.947 13 HA PHE 2 HA PHE 2 -5.352 2.434 -2.485 14 HB2 PHE 2 HB2 PHE 2 -7.921 2.560 -0.901 15 HB3 PHE 2 HB3 PHE 2 -6.478 3.475 -0.476 16 HD1 PHE 2 HD1 PHE 2 -9.215 3.114 -2.874 17 HD2 PHE 2 HD2 PHE 2 -5.768 5.363 -1.790 18 HE1 PHE 2 HE1 PHE 2 -9.903 4.904 -4.415 19 HE2 PHE 2 HE2 PHE 2 -6.451 7.157 -3.329 20 HZ PHE 2 HZ PHE 2 -8.520 6.929 -4.646 21 H TRP 3 H TRP 3 -7.297 0.079 -0.682 22 HA TRP 3 HA TRP 3 -5.647 -0.227 1.535 23 HB2 TRP 3 HB2 TRP 3 -7.619 -2.006 0.156 24 HB3 TRP 3 HB3 TRP 3 -6.624 -2.667 1.450 25 HD1 TRP 3 HD1 TRP 3 -8.764 0.565 1.057 26 HE1 TRP 3 HE1 TRP 3 -10.120 0.872 3.222 27 HE3 TRP 3 HE3 TRP 3 -7.116 -3.531 3.634 28 HZ2 TRP 3 HZ2 TRP 3 -10.450 -0.449 5.695 29 HZ3 TRP 3 HZ3 TRP 3 -8.002 -3.938 5.893 30 HH2 TRP 3 HH2 TRP 3 -9.633 -2.427 6.901 31 H LEU 4 H LEU 4 -5.458 -1.705 -1.657 32 HA LEU 4 HA LEU 4 -3.306 -3.469 -0.952 33 HB2 LEU 4 HB2 LEU 4 -4.448 -2.626 -3.608 34 HB3 LEU 4 HB3 LEU 4 -3.160 -3.815 -3.425 35 HG LEU 4 HG LEU 4 -5.934 -4.108 -2.277 36 HD11 LEU 4 HD11 LEU 4 -6.253 -5.776 -4.070 37 HD12 LEU 4 HD12 LEU 4 -6.064 -4.132 -4.685 38 HD13 LEU 4 HD13 LEU 4 -4.719 -5.270 -4.780 39 HD21 LEU 4 HD21 LEU 4 -4.312 -6.486 -2.707 40 HD22 LEU 4 HD22 LEU 4 -3.596 -5.364 -1.550 41 HD23 LEU 4 HD23 LEU 4 -5.228 -5.980 -1.288 42 H PHE 5 H PHE 5 -3.585 -0.420 -2.747 43 HA PHE 5 HA PHE 5 -0.914 -0.161 -3.506 44 HB2 PHE 5 HB2 PHE 5 -2.928 1.249 -4.224 45 HB3 PHE 5 HB3 PHE 5 -2.662 2.173 -2.749 46 HD1 PHE 5 HD1 PHE 5 -0.774 0.932 -5.716 47 HD2 PHE 5 HD2 PHE 5 -1.331 4.040 -2.864 48 HE1 PHE 5 HE1 PHE 5 0.904 2.299 -6.884 49 HE2 PHE 5 HE2 PHE 5 0.345 5.414 -4.027 50 HZ PHE 5 HZ PHE 5 1.466 4.545 -6.040 51 H ARG 6 H ARG 6 -2.545 0.707 -0.508 52 HA ARG 6 HA ARG 6 -0.441 2.167 0.658 53 HB2 ARG 6 HB2 ARG 6 -2.929 1.898 1.387 54 HB3 ARG 6 HB3 ARG 6 -2.336 0.508 2.287 55 HG2 ARG 6 HG2 ARG 6 -0.951 3.123 2.609 56 HG3 ARG 6 HG3 ARG 6 -2.506 2.869 3.404 57 HD2 ARG 6 HD2 ARG 6 -1.512 0.720 4.324 58 HD3 ARG 6 HD3 ARG 6 0.047 1.325 3.767 59 HE ARG 6 HE ARG 6 0.063 2.804 5.515 60 HH11 ARG 6 HH11 ARG 6 -3.145 1.508 5.137 61 HH12 ARG 6 HH12 ARG 6 -3.743 2.209 6.604 62 HH21 ARG 6 HH21 ARG 6 -0.712 3.733 7.450 63 HH22 ARG 6 HH22 ARG 6 -2.359 3.476 7.919 64 H GLY 7 H GLY 7 -1.296 -1.274 0.832 65 HA2 GLY 7 HA2 GLY 7 0.612 -2.094 2.689 66 HA3 GLY 7 HA3 GLY 7 -0.050 -3.111 1.417 67 H LYS 8 H LYS 8 0.910 -1.805 -0.836 68 HA LYS 8 HA LYS 8 3.418 -2.918 -1.173 69 HB2 LYS 8 HB2 LYS 8 1.916 -0.766 -2.620 70 HB3 LYS 8 HB3 LYS 8 3.577 -1.121 -3.075 71 HG2 LYS 8 HG2 LYS 8 1.491 -3.268 -2.920 72 HG3 LYS 8 HG3 LYS 8 1.724 -2.288 -4.369 73 HD2 LYS 8 HD2 LYS 8 4.006 -3.737 -3.060 74 HD3 LYS 8 HD3 LYS 8 2.955 -4.533 -4.233 75 HE2 LYS 8 HE2 LYS 8 3.475 -2.641 -5.812 76 HE3 LYS 8 HE3 LYS 8 4.698 -2.112 -4.658 77 HZ1 LYS 8 HZ1 LYS 8 4.907 -4.897 -5.301 78 HZ2 LYS 8 HZ2 LYS 8 5.076 -3.905 -6.663 79 HZ3 LYS 8 HZ3 LYS 8 6.093 -3.692 -5.327 80 H ALA 9 H ALA 9 2.543 0.303 -0.062 81 HA ALA 9 HA ALA 9 5.290 1.207 -0.012 82 HB1 ALA 9 HB1 ALA 9 2.921 2.516 -0.238 83 HB2 ALA 9 HB2 ALA 9 3.299 2.776 1.465 84 HB3 ALA 9 HB3 ALA 9 4.446 3.274 0.222 85 H ASP 10 H ASP 10 2.858 0.102 2.288 86 HA ASP 10 HA ASP 10 4.080 0.752 4.682 87 HB2 ASP 10 HB2 ASP 10 1.803 -0.283 4.381 88 HB3 ASP 10 HB3 ASP 10 2.607 -1.834 4.154 89 H VAL 11 H VAL 11 4.532 -2.179 2.721 90 HA VAL 11 HA VAL 11 6.421 -3.396 4.425 91 HB VAL 11 HB VAL 11 7.029 -4.775 2.455 92 HG11 VAL 11 HG11 VAL 11 5.106 -6.024 2.531 93 HG12 VAL 11 HG12 VAL 11 4.881 -4.999 3.949 94 HG13 VAL 11 HG13 VAL 11 4.055 -4.610 2.440 95 HG21 VAL 11 HG21 VAL 11 5.149 -2.907 1.021 96 HG22 VAL 11 HG22 VAL 11 6.862 -3.163 0.690 97 HG23 VAL 11 HG23 VAL 11 5.700 -4.451 0.372 98 H ALA 12 H ALA 12 6.735 -1.120 1.761 99 HA ALA 12 HA ALA 12 9.547 -1.287 1.485 100 HB1 ALA 12 HB1 ALA 12 9.120 1.137 0.532 101 HB2 ALA 12 HB2 ALA 12 8.616 -0.303 -0.351 102 HB3 ALA 12 HB3 ALA 12 7.439 0.609 0.594 103 H LEU 13 H LEU 13 7.437 0.616 3.549 104 HA LEU 13 HA LEU 13 9.616 2.234 4.554 105 HB2 LEU 13 HB2 LEU 13 7.490 3.298 4.353 106 HB3 LEU 13 HB3 LEU 13 6.703 2.024 5.283 107 HG LEU 13 HG LEU 13 7.842 2.773 7.302 108 HD11 LEU 13 HD11 LEU 13 9.518 4.131 5.426 109 HD12 LEU 13 HD12 LEU 13 8.828 5.299 6.552 110 HD13 LEU 13 HD13 LEU 13 9.735 3.915 7.163 111 HD21 LEU 13 HD21 LEU 13 6.845 5.162 7.320 112 HD22 LEU 13 HD22 LEU 13 6.251 4.748 5.712 113 HD23 LEU 13 HD23 LEU 13 5.765 3.783 7.107 114 HN1 NH2 14 HN1 NH2 14 11.040 1.262 5.849 115 HN2 NH2 14 HN2 NH2 14 10.711 0.244 7.180 Start of MODEL 20 1 H1 ILE 1 H ILE 1 -5.521 -1.001 -5.916 2 HA ILE 1 HA ILE 1 -8.052 0.099 -4.945 3 HB ILE 1 HB ILE 1 -6.850 -2.414 -3.779 4 HG12 ILE 1 HG12 ILE 1 -9.395 -2.107 -5.386 5 HG13 ILE 1 HG13 ILE 1 -7.889 -2.761 -6.022 6 HG21 ILE 1 HG21 ILE 1 -7.981 -1.018 -2.141 7 HG22 ILE 1 HG22 ILE 1 -9.415 -0.954 -3.166 8 HG23 ILE 1 HG23 ILE 1 -8.910 -2.484 -2.452 9 HD11 ILE 1 HD11 ILE 1 -8.978 -4.686 -5.502 10 HD12 ILE 1 HD12 ILE 1 -8.136 -4.399 -3.979 11 HD13 ILE 1 HD13 ILE 1 -9.838 -3.965 -4.141 12 H PHE 2 H PHE 2 -7.866 1.340 -3.137 13 HA PHE 2 HA PHE 2 -5.425 2.480 -2.477 14 HB2 PHE 2 HB2 PHE 2 -8.010 2.342 -0.925 15 HB3 PHE 2 HB3 PHE 2 -6.632 3.308 -0.408 16 HD1 PHE 2 HD1 PHE 2 -9.670 3.482 -2.001 17 HD2 PHE 2 HD2 PHE 2 -5.648 4.797 -2.456 18 HE1 PHE 2 HE1 PHE 2 -10.440 5.333 -3.426 19 HE2 PHE 2 HE2 PHE 2 -6.411 6.649 -3.882 20 HZ PHE 2 HZ PHE 2 -8.810 6.920 -4.370 21 H TRP 3 H TRP 3 -7.271 0.042 -0.653 22 HA TRP 3 HA TRP 3 -5.550 -0.310 1.477 23 HB2 TRP 3 HB2 TRP 3 -7.823 -1.358 1.172 24 HB3 TRP 3 HB3 TRP 3 -7.061 -2.547 0.120 25 HD1 TRP 3 HD1 TRP 3 -6.759 -1.309 3.785 26 HE1 TRP 3 HE1 TRP 3 -6.074 -3.317 5.244 27 HE3 TRP 3 HE3 TRP 3 -6.214 -4.828 0.117 28 HZ2 TRP 3 HZ2 TRP 3 -5.393 -6.033 4.884 29 HZ3 TRP 3 HZ3 TRP 3 -5.543 -7.106 0.758 30 HH2 TRP 3 HH2 TRP 3 -5.141 -7.694 3.092 31 H LEU 4 H LEU 4 -5.385 -1.713 -1.756 32 HA LEU 4 HA LEU 4 -3.223 -3.471 -1.208 33 HB2 LEU 4 HB2 LEU 4 -4.547 -3.974 -3.084 34 HB3 LEU 4 HB3 LEU 4 -4.393 -2.342 -3.731 35 HG LEU 4 HG LEU 4 -2.101 -2.759 -4.356 36 HD11 LEU 4 HD11 LEU 4 -2.507 -5.300 -2.829 37 HD12 LEU 4 HD12 LEU 4 -1.310 -5.208 -4.122 38 HD13 LEU 4 HD13 LEU 4 -1.188 -4.131 -2.729 39 HD21 LEU 4 HD21 LEU 4 -2.472 -4.677 -5.952 40 HD22 LEU 4 HD22 LEU 4 -4.057 -4.883 -5.205 41 HD23 LEU 4 HD23 LEU 4 -3.660 -3.376 -6.029 42 H PHE 5 H PHE 5 -3.381 -0.288 -2.793 43 HA PHE 5 HA PHE 5 -0.653 0.007 -3.296 44 HB2 PHE 5 HB2 PHE 5 -2.457 1.463 -4.219 45 HB3 PHE 5 HB3 PHE 5 -2.610 2.214 -2.634 46 HD1 PHE 5 HD1 PHE 5 0.314 1.278 -4.756 47 HD2 PHE 5 HD2 PHE 5 -1.776 4.347 -2.675 48 HE1 PHE 5 HE1 PHE 5 2.083 2.880 -5.351 49 HE2 PHE 5 HE2 PHE 5 -0.010 5.956 -3.267 50 HZ PHE 5 HZ PHE 5 1.923 5.222 -4.605 51 H ARG 6 H ARG 6 -2.548 0.736 -0.416 52 HA ARG 6 HA ARG 6 -0.616 2.157 1.019 53 HB2 ARG 6 HB2 ARG 6 -3.089 1.809 1.574 54 HB3 ARG 6 HB3 ARG 6 -2.600 0.273 2.280 55 HG2 ARG 6 HG2 ARG 6 -0.895 1.793 3.584 56 HG3 ARG 6 HG3 ARG 6 -2.084 3.044 3.217 57 HD2 ARG 6 HD2 ARG 6 -3.780 1.934 4.399 58 HD3 ARG 6 HD3 ARG 6 -2.881 0.417 4.429 59 HE ARG 6 HE ARG 6 -1.846 1.132 6.330 60 HH11 ARG 6 HH11 ARG 6 -3.168 3.895 4.676 61 HH12 ARG 6 HH12 ARG 6 -2.769 5.008 5.943 62 HH21 ARG 6 HH21 ARG 6 -1.315 2.587 8.004 63 HH22 ARG 6 HH22 ARG 6 -1.714 4.263 7.835 64 H GLY 7 H GLY 7 -1.332 -1.330 1.000 65 HA2 GLY 7 HA2 GLY 7 0.655 -2.064 2.860 66 HA3 GLY 7 HA3 GLY 7 -0.088 -3.134 1.681 67 H LYS 8 H LYS 8 0.726 -1.877 -0.679 68 HA LYS 8 HA LYS 8 3.199 -3.029 -1.145 69 HB2 LYS 8 HB2 LYS 8 1.715 -0.828 -2.565 70 HB3 LYS 8 HB3 LYS 8 3.267 -1.418 -3.147 71 HG2 LYS 8 HG2 LYS 8 2.137 -3.747 -3.047 72 HG3 LYS 8 HG3 LYS 8 0.635 -2.824 -3.028 73 HD2 LYS 8 HD2 LYS 8 1.579 -1.606 -5.076 74 HD3 LYS 8 HD3 LYS 8 2.754 -2.922 -5.156 75 HE2 LYS 8 HE2 LYS 8 1.036 -4.541 -5.457 76 HE3 LYS 8 HE3 LYS 8 -0.224 -3.366 -5.080 77 HZ1 LYS 8 HZ1 LYS 8 0.658 -2.123 -7.110 78 HZ2 LYS 8 HZ2 LYS 8 1.424 -3.576 -7.519 79 HZ3 LYS 8 HZ3 LYS 8 -0.261 -3.518 -7.380 80 H ALA 9 H ALA 9 2.418 0.267 -0.164 81 HA ALA 9 HA ALA 9 5.176 1.122 -0.280 82 HB1 ALA 9 HB1 ALA 9 3.407 2.707 -0.801 83 HB2 ALA 9 HB2 ALA 9 2.739 2.516 0.820 84 HB3 ALA 9 HB3 ALA 9 4.331 3.245 0.604 85 H ASP 10 H ASP 10 2.861 0.119 2.171 86 HA ASP 10 HA ASP 10 4.170 0.894 4.480 87 HB2 ASP 10 HB2 ASP 10 1.886 -0.250 4.215 88 HB3 ASP 10 HB3 ASP 10 2.781 -1.767 4.234 89 H VAL 11 H VAL 11 4.410 -2.308 2.921 90 HA VAL 11 HA VAL 11 6.423 -3.357 4.508 91 HB VAL 11 HB VAL 11 5.209 -4.746 2.937 92 HG11 VAL 11 HG11 VAL 11 6.740 -3.429 0.705 93 HG12 VAL 11 HG12 VAL 11 5.431 -4.605 0.579 94 HG13 VAL 11 HG13 VAL 11 5.096 -2.971 1.153 95 HG21 VAL 11 HG21 VAL 11 7.591 -5.287 3.662 96 HG22 VAL 11 HG22 VAL 11 6.975 -6.138 2.245 97 HG23 VAL 11 HG23 VAL 11 8.079 -4.777 2.046 98 H ALA 12 H ALA 12 6.658 -1.246 1.700 99 HA ALA 12 HA ALA 12 9.469 -1.429 1.382 100 HB1 ALA 12 HB1 ALA 12 9.069 -0.212 -0.435 101 HB2 ALA 12 HB2 ALA 12 7.365 -0.215 0.018 102 HB3 ALA 12 HB3 ALA 12 8.409 1.113 0.524 103 H LEU 13 H LEU 13 7.378 0.620 3.321 104 HA LEU 13 HA LEU 13 7.797 2.121 4.976 105 HB2 LEU 13 HB2 LEU 13 9.277 0.034 5.587 106 HB3 LEU 13 HB3 LEU 13 10.599 1.140 5.225 107 HG LEU 13 HG LEU 13 8.520 2.082 7.119 108 HD11 LEU 13 HD11 LEU 13 8.952 0.668 8.803 109 HD12 LEU 13 HD12 LEU 13 9.456 -0.435 7.522 110 HD13 LEU 13 HD13 LEU 13 10.658 0.526 8.382 111 HD21 LEU 13 HD21 LEU 13 10.679 2.879 8.240 112 HD22 LEU 13 HD22 LEU 13 11.483 2.380 6.751 113 HD23 LEU 13 HD23 LEU 13 10.230 3.621 6.705 114 HN1 NH2 14 HN1 NH2 14 7.902 3.391 2.729 115 HN2 NH2 14 HN2 NH2 14 9.217 4.467 2.561
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