NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635290 | 5z32 | 36150 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 1.292 1.509 -0.604 2 HA VAL 1 HA VAL 1 3.604 0.099 0.402 3 HB VAL 1 HB VAL 1 2.000 -0.956 -1.181 4 HG11 VAL 1 1HG1 VAL 1 1.845 -0.333 -3.436 5 HG12 VAL 1 2HG1 VAL 1 1.775 1.191 -2.549 6 HG13 VAL 1 3HG1 VAL 1 3.273 0.697 -3.340 7 HG21 VAL 1 1HG2 VAL 1 4.848 -0.743 -2.154 8 HG22 VAL 1 2HG2 VAL 1 4.248 -1.851 -0.920 9 HG23 VAL 1 3HG2 VAL 1 3.708 -2.016 -2.590 10 H ALA 2 H ALA 2 5.722 0.417 -0.153 11 HA ALA 2 HA ALA 2 6.315 2.841 -1.724 12 HB1 ALA 2 1HB ALA 2 7.529 3.656 -0.055 13 HB2 ALA 2 2HB ALA 2 6.924 2.345 0.958 14 HB3 ALA 2 3HB ALA 2 8.443 2.153 0.083 15 H ARG 3 H ARG 3 7.281 -0.439 -0.904 16 HA ARG 3 HA ARG 3 9.650 -0.645 -2.326 17 HB2 ARG 3 2HB ARG 3 9.196 -3.056 -2.442 18 HB3 ARG 3 3HB ARG 3 8.846 -2.408 -0.846 19 HG2 ARG 3 2HG ARG 3 6.499 -2.477 -1.249 20 HG3 ARG 3 3HG ARG 3 6.749 -2.869 -2.951 21 HD2 ARG 3 2HD ARG 3 7.411 -5.041 -2.487 22 HD3 ARG 3 3HD ARG 3 7.848 -4.657 -0.822 23 HE ARG 3 HE ARG 3 5.710 -5.152 -0.209 24 HH11 ARG 3 1HH1 ARG 3 5.755 -4.466 -3.622 25 HH12 ARG 3 2HH1 ARG 3 4.090 -4.883 -3.860 26 HH21 ARG 3 1HH2 ARG 3 3.517 -5.703 -0.509 27 HH22 ARG 3 2HH2 ARG 3 2.818 -5.585 -2.088 28 H GLY 4 H GLY 4 6.378 -0.485 -3.477 29 HA2 GLY 4 2HA GLY 4 7.370 -0.913 -6.229 30 HA3 GLY 4 3HA GLY 4 5.758 -1.378 -5.705 31 H TRP 5 H TRP 5 6.565 1.483 -4.221 32 HA TRP 5 HA TRP 5 5.271 3.056 -6.351 33 HB2 TRP 5 2HB TRP 5 4.088 2.531 -4.011 34 HB3 TRP 5 3HB TRP 5 5.031 3.934 -3.519 35 HD1 TRP 5 HD1 TRP 5 2.021 2.934 -5.604 36 HE1 TRP 5 HE1 TRP 5 0.792 5.059 -6.379 37 HE3 TRP 5 HE3 TRP 5 5.453 6.434 -4.150 38 HZ2 TRP 5 HZ2 TRP 5 1.220 7.849 -6.375 39 HZ3 TRP 5 HZ3 TRP 5 4.967 8.809 -4.573 40 HH2 TRP 5 HH2 TRP 5 2.894 9.499 -5.663 41 H GLY 6 H GLY 6 7.152 3.565 -3.354 42 HA2 GLY 6 2HA GLY 6 8.201 6.055 -4.059 43 HA3 GLY 6 3HA GLY 6 8.929 4.946 -2.906 44 H ARG 7 H ARG 7 9.209 2.848 -4.987 45 HA ARG 7 HA ARG 7 11.836 3.412 -5.787 46 HB2 ARG 7 2HB ARG 7 11.507 1.419 -7.325 47 HB3 ARG 7 3HB ARG 7 11.215 1.135 -5.614 48 HG2 ARG 7 2HG ARG 7 9.012 0.748 -5.913 49 HG3 ARG 7 3HG ARG 7 8.872 1.918 -7.227 50 HD2 ARG 7 2HD ARG 7 8.522 -0.321 -8.075 51 HD3 ARG 7 3HD ARG 7 10.021 0.341 -8.725 52 HE ARG 7 HE ARG 7 10.758 -1.059 -6.482 53 HH11 ARG 7 1HH1 ARG 7 9.107 -1.783 -9.461 54 HH12 ARG 7 2HH1 ARG 7 9.649 -3.428 -9.513 55 HH21 ARG 7 1HH2 ARG 7 11.478 -3.223 -6.540 56 HH22 ARG 7 2HH2 ARG 7 10.997 -4.246 -7.851 57 H LYS 8 H LYS 8 8.757 3.865 -7.404 58 HA LYS 8 HA LYS 8 10.073 4.719 -9.863 59 HB2 LYS 8 2HB LYS 8 7.277 4.033 -9.083 60 HB3 LYS 8 3HB LYS 8 7.515 5.123 -10.443 61 HG2 LYS 8 2HG LYS 8 9.134 2.662 -10.472 62 HG3 LYS 8 3HG LYS 8 7.392 2.451 -10.668 63 HD2 LYS 8 2HD LYS 8 7.918 4.563 -12.331 64 HD3 LYS 8 3HD LYS 8 9.371 3.576 -12.505 65 HE2 LYS 8 2HE LYS 8 8.055 1.658 -13.117 66 HE3 LYS 8 3HE LYS 8 6.558 2.526 -12.779 67 HZ1 LYS 8 1HZ LYS 8 6.887 2.541 -15.111 68 HZ2 LYS 8 2HZ LYS 8 8.490 3.058 -14.964 69 HZ3 LYS 8 3HZ LYS 8 7.224 4.107 -14.568 70 H CYS 9 H CYS 9 7.716 6.033 -7.535 71 HA CYS 9 HA CYS 9 8.541 8.735 -8.368 72 HB2 CYS 9 2HB CYS 9 5.919 7.563 -7.645 73 HB3 CYS 9 3HB CYS 9 6.234 9.182 -7.030 74 HG CYS 9 HG CYS 9 6.479 10.404 -9.447 75 HA PRO 10 HA PRO 10 10.111 8.153 -4.053 76 HB2 PRO 10 2HB PRO 10 12.477 9.405 -4.505 77 HB3 PRO 10 3HB PRO 10 12.222 7.686 -4.830 78 HG2 PRO 10 2HG PRO 10 12.176 10.000 -6.729 79 HG3 PRO 10 3HG PRO 10 12.910 8.398 -6.934 80 HD2 PRO 10 2HD PRO 10 10.523 9.057 -8.029 81 HD3 PRO 10 3HD PRO 10 10.903 7.410 -7.487 82 H LEU 11 H LEU 11 10.693 11.023 -6.097 83 HA LEU 11 HA LEU 11 10.710 12.892 -4.008 84 HB2 LEU 11 2HB LEU 11 10.761 14.524 -5.634 85 HB3 LEU 11 3HB LEU 11 11.418 13.125 -6.481 86 HG LEU 11 HG LEU 11 8.847 12.871 -7.176 87 HD11 LEU 11 1HD1 LEU 11 9.044 15.815 -7.379 88 HD12 LEU 11 2HD1 LEU 11 8.604 15.148 -5.807 89 HD13 LEU 11 3HD1 LEU 11 7.626 14.777 -7.227 90 HD21 LEU 11 1HD2 LEU 11 11.012 14.544 -8.420 91 HD22 LEU 11 2HD2 LEU 11 9.473 14.238 -9.227 92 HD23 LEU 11 3HD2 LEU 11 10.536 12.892 -8.813 93 H PHE 12 H PHE 12 8.133 11.173 -5.439 94 HA PHE 12 HA PHE 12 6.175 13.010 -4.227 95 HB2 PHE 12 2HB PHE 12 6.260 11.770 -6.810 96 HB3 PHE 12 3HB PHE 12 4.855 11.174 -5.934 97 HD1 PHE 12 HD1 PHE 12 3.191 12.231 -7.249 98 HD2 PHE 12 HD2 PHE 12 6.315 14.525 -5.491 99 HE1 PHE 12 HE1 PHE 12 1.975 14.299 -7.795 100 HE2 PHE 12 HE2 PHE 12 5.104 16.597 -6.033 101 HZ PHE 12 HZ PHE 12 2.930 16.486 -7.185 102 H GLY 13 H GLY 13 7.780 10.301 -3.528 103 HA2 GLY 13 2HA GLY 13 5.898 8.356 -2.870 104 HA3 GLY 13 3HA GLY 13 7.434 8.583 -2.047 105 H LYS 14 H LYS 14 4.045 9.533 -2.097 106 HA LYS 14 HA LYS 14 3.687 11.264 -0.112 107 HB2 LYS 14 2HB LYS 14 2.186 8.908 -1.003 108 HB3 LYS 14 3HB LYS 14 1.829 9.387 0.651 109 HG2 LYS 14 2HG LYS 14 1.752 11.781 -0.651 110 HG3 LYS 14 3HG LYS 14 1.125 10.674 -1.875 111 HD2 LYS 14 2HD LYS 14 0.109 10.788 0.961 112 HD3 LYS 14 3HD LYS 14 -0.614 11.683 -0.378 113 HE2 LYS 14 2HE LYS 14 -0.204 8.719 -0.547 114 HE3 LYS 14 3HE LYS 14 -1.610 9.391 0.278 115 HZ1 LYS 14 1HZ LYS 14 -1.752 8.811 -2.221 116 HZ2 LYS 14 2HZ LYS 14 -0.952 10.284 -2.448 117 HZ3 LYS 14 3HZ LYS 14 -2.452 10.248 -1.667 118 H ASN 15 H ASN 15 4.474 7.848 0.418 119 HA ASN 15 HA ASN 15 4.276 7.495 3.067 120 HB2 ASN 15 2HB ASN 15 5.795 6.316 1.023 121 HB3 ASN 15 3HB ASN 15 6.943 6.674 2.309 122 HD21 ASN 15 1HD2 ASN 15 3.613 5.467 2.039 123 HD22 ASN 15 2HD2 ASN 15 3.825 4.148 3.134 124 H LYS 16 H LYS 16 6.932 9.259 1.504 125 HA LYS 16 HA LYS 16 7.658 10.347 4.144 126 HB2 LYS 16 2HB LYS 16 9.410 8.982 2.988 127 HB3 LYS 16 3HB LYS 16 9.413 10.168 1.690 128 HG2 LYS 16 2HG LYS 16 10.504 11.734 2.931 129 HG3 LYS 16 3HG LYS 16 9.844 11.144 4.458 130 HD2 LYS 16 2HD LYS 16 11.606 9.257 3.050 131 HD3 LYS 16 3HD LYS 16 12.393 10.730 3.621 132 HE2 LYS 16 2HE LYS 16 12.362 10.004 5.723 133 HE3 LYS 16 3HE LYS 16 10.632 9.678 5.639 134 HZ1 LYS 16 1HZ LYS 16 11.961 7.692 6.142 135 HZ2 LYS 16 2HZ LYS 16 12.744 7.841 4.650 136 HZ3 LYS 16 3HZ LYS 16 11.083 7.527 4.705 137 H SER 17 H SER 17 7.446 11.166 0.690 138 HA SER 17 HA SER 17 7.926 13.877 0.822 139 HB2 SER 17 2HB SER 17 5.786 12.736 -0.967 140 HB3 SER 17 3HB SER 17 6.901 14.061 -1.298 141 HG SER 17 HG SER 17 8.496 12.653 -1.675 142 H ARG 18 H ARG 18 4.964 12.122 1.547 143 HA ARG 18 HA ARG 18 3.809 14.634 2.566 144 HB2 ARG 18 2HB ARG 18 2.789 13.028 0.518 145 HB3 ARG 18 3HB ARG 18 1.816 12.630 1.928 146 HG2 ARG 18 2HG ARG 18 1.396 15.066 2.240 147 HG3 ARG 18 3HG ARG 18 2.224 15.348 0.707 148 HD2 ARG 18 2HD ARG 18 0.558 14.317 -0.530 149 HD3 ARG 18 3HD ARG 18 -0.034 13.396 0.852 150 HE ARG 18 HE ARG 18 -0.815 16.045 0.075 151 HH11 ARG 18 1HH1 ARG 18 -0.536 13.821 2.738 152 HH12 ARG 18 2HH1 ARG 18 -1.763 14.596 3.684 153 HH21 ARG 18 1HH2 ARG 18 -2.434 17.074 1.310 154 HH22 ARG 18 2HH2 ARG 18 -2.843 16.445 2.870 Start of MODEL 2 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 2.555 -0.973 -1.348 3 HB VAL 1 HB VAL 1 1.809 0.479 -3.309 4 HG11 VAL 1 1HG1 VAL 1 -0.629 -0.895 -2.471 5 HG12 VAL 1 2HG1 VAL 1 0.418 -1.187 -3.860 6 HG13 VAL 1 3HG1 VAL 1 0.832 -1.864 -2.285 7 HG21 VAL 1 1HG2 VAL 1 0.652 2.023 -1.410 8 HG22 VAL 1 2HG2 VAL 1 0.166 2.007 -3.105 9 HG23 VAL 1 3HG2 VAL 1 -0.723 1.045 -1.924 10 H ALA 2 H ALA 2 4.393 -0.156 -0.192 11 HA ALA 2 HA ALA 2 5.159 2.568 -1.023 12 HB1 ALA 2 1HB ALA 2 4.923 1.611 1.572 13 HB2 ALA 2 2HB ALA 2 6.657 1.586 1.249 14 HB3 ALA 2 3HB ALA 2 5.746 3.084 1.060 15 H ARG 3 H ARG 3 6.221 -0.748 -0.483 16 HA ARG 3 HA ARG 3 8.911 -0.546 -1.062 17 HB2 ARG 3 2HB ARG 3 7.055 -2.782 -1.897 18 HB3 ARG 3 3HB ARG 3 8.804 -2.891 -1.754 19 HG2 ARG 3 2HG ARG 3 8.742 -3.100 0.484 20 HG3 ARG 3 3HG ARG 3 7.390 -1.979 0.659 21 HD2 ARG 3 2HD ARG 3 5.821 -3.669 0.017 22 HD3 ARG 3 3HD ARG 3 7.120 -4.779 -0.419 23 HE ARG 3 HE ARG 3 7.228 -3.965 2.323 24 HH11 ARG 3 1HH1 ARG 3 5.740 -6.173 0.081 25 HH12 ARG 3 2HH1 ARG 3 5.394 -7.369 1.286 26 HH21 ARG 3 1HH2 ARG 3 6.779 -5.532 3.919 27 HH22 ARG 3 2HH2 ARG 3 5.985 -7.003 3.469 28 H GLY 4 H GLY 4 6.176 -0.377 -3.219 29 HA2 GLY 4 2HA GLY 4 8.041 -0.159 -5.502 30 HA3 GLY 4 3HA GLY 4 6.392 -0.750 -5.638 31 H TRP 5 H TRP 5 6.607 1.823 -3.478 32 HA TRP 5 HA TRP 5 5.775 3.715 -5.579 33 HB2 TRP 5 2HB TRP 5 4.140 2.794 -3.647 34 HB3 TRP 5 3HB TRP 5 4.850 4.164 -2.797 35 HD1 TRP 5 HD1 TRP 5 2.564 3.325 -5.742 36 HE1 TRP 5 HE1 TRP 5 1.339 5.468 -6.472 37 HE3 TRP 5 HE3 TRP 5 5.057 6.714 -2.838 38 HZ2 TRP 5 HZ2 TRP 5 1.419 8.229 -5.893 39 HZ3 TRP 5 HZ3 TRP 5 4.422 9.087 -2.986 40 HH2 TRP 5 HH2 TRP 5 2.641 9.827 -4.483 41 H GLY 6 H GLY 6 8.035 3.034 -3.180 42 HA2 GLY 6 2HA GLY 6 8.680 5.850 -2.694 43 HA3 GLY 6 3HA GLY 6 9.367 4.471 -1.848 44 H ARG 7 H ARG 7 9.354 3.730 -5.066 45 HA ARG 7 HA ARG 7 12.083 4.783 -5.431 46 HB2 ARG 7 2HB ARG 7 10.931 2.074 -5.994 47 HB3 ARG 7 3HB ARG 7 12.282 2.665 -6.952 48 HG2 ARG 7 2HG ARG 7 12.838 3.083 -4.181 49 HG3 ARG 7 3HG ARG 7 12.353 1.406 -4.443 50 HD2 ARG 7 2HD ARG 7 14.370 2.745 -6.214 51 HD3 ARG 7 3HD ARG 7 14.842 2.013 -4.681 52 HE ARG 7 HE ARG 7 13.461 0.037 -5.902 53 HH11 ARG 7 1HH1 ARG 7 16.104 2.072 -6.901 54 HH12 ARG 7 2HH1 ARG 7 16.792 0.883 -7.956 55 HH21 ARG 7 1HH2 ARG 7 14.358 -1.537 -7.288 56 HH22 ARG 7 2HH2 ARG 7 15.798 -1.169 -8.176 57 H LYS 8 H LYS 8 9.147 3.693 -7.101 58 HA LYS 8 HA LYS 8 9.751 4.383 -9.693 59 HB2 LYS 8 2HB LYS 8 7.298 4.044 -8.124 60 HB3 LYS 8 3HB LYS 8 7.111 5.129 -9.496 61 HG2 LYS 8 2HG LYS 8 8.552 2.830 -10.352 62 HG3 LYS 8 3HG LYS 8 7.113 2.306 -9.475 63 HD2 LYS 8 2HD LYS 8 6.894 4.473 -11.523 64 HD3 LYS 8 3HD LYS 8 6.986 2.788 -12.040 65 HE2 LYS 8 2HE LYS 8 4.806 2.605 -11.657 66 HE3 LYS 8 3HE LYS 8 5.125 2.856 -9.942 67 HZ1 LYS 8 1HZ LYS 8 3.925 4.697 -10.128 68 HZ2 LYS 8 2HZ LYS 8 3.878 4.600 -11.816 69 HZ3 LYS 8 3HZ LYS 8 5.178 5.364 -11.048 70 H CYS 9 H CYS 9 7.603 6.477 -7.793 71 HA CYS 9 HA CYS 9 8.017 8.762 -9.320 72 HB2 CYS 9 2HB CYS 9 7.061 8.326 -6.506 73 HB3 CYS 9 3HB CYS 9 7.258 9.956 -7.137 74 HG CYS 9 HG CYS 9 5.441 9.589 -9.243 75 HA PRO 10 HA PRO 10 12.178 9.792 -8.123 76 HB2 PRO 10 2HB PRO 10 12.325 12.087 -9.566 77 HB3 PRO 10 3HB PRO 10 12.464 10.483 -10.296 78 HG2 PRO 10 2HG PRO 10 10.093 12.307 -10.166 79 HG3 PRO 10 3HG PRO 10 10.685 11.337 -11.527 80 HD2 PRO 10 2HD PRO 10 8.605 10.558 -9.979 81 HD3 PRO 10 3HD PRO 10 9.722 9.401 -10.729 82 H LEU 11 H LEU 11 9.764 12.419 -8.294 83 HA LEU 11 HA LEU 11 10.963 13.585 -5.877 84 HB2 LEU 11 2HB LEU 11 10.271 15.664 -6.568 85 HB3 LEU 11 3HB LEU 11 10.646 14.879 -8.101 86 HG LEU 11 HG LEU 11 7.986 14.329 -7.830 87 HD11 LEU 11 1HD1 LEU 11 6.808 16.132 -6.973 88 HD12 LEU 11 2HD1 LEU 11 8.211 17.198 -7.012 89 HD13 LEU 11 3HD1 LEU 11 8.109 15.919 -5.802 90 HD21 LEU 11 1HD2 LEU 11 9.018 15.085 -9.861 91 HD22 LEU 11 2HD2 LEU 11 9.335 16.673 -9.162 92 HD23 LEU 11 3HD2 LEU 11 7.676 16.163 -9.478 93 H PHE 12 H PHE 12 8.252 11.891 -7.015 94 HA PHE 12 HA PHE 12 6.584 12.779 -4.771 95 HB2 PHE 12 2HB PHE 12 6.031 11.921 -7.471 96 HB3 PHE 12 3HB PHE 12 5.154 10.918 -6.320 97 HD1 PHE 12 HD1 PHE 12 6.042 14.517 -6.085 98 HD2 PHE 12 HD2 PHE 12 2.951 11.622 -6.508 99 HE1 PHE 12 HE1 PHE 12 4.354 16.289 -5.835 100 HE2 PHE 12 HE2 PHE 12 1.257 13.390 -6.260 101 HZ PHE 12 HZ PHE 12 1.958 15.727 -5.924 102 H GLY 13 H GLY 13 8.828 10.464 -5.431 103 HA2 GLY 13 2HA GLY 13 7.531 8.188 -4.232 104 HA3 GLY 13 3HA GLY 13 9.227 8.312 -4.673 105 H LYS 14 H LYS 14 7.069 10.000 -2.388 106 HA LYS 14 HA LYS 14 9.195 10.054 -0.414 107 HB2 LYS 14 2HB LYS 14 6.501 11.311 -0.685 108 HB3 LYS 14 3HB LYS 14 7.190 11.153 0.925 109 HG2 LYS 14 2HG LYS 14 9.207 12.195 -0.760 110 HG3 LYS 14 3HG LYS 14 7.728 13.110 -1.062 111 HD2 LYS 14 2HD LYS 14 7.588 13.129 1.562 112 HD3 LYS 14 3HD LYS 14 9.326 12.844 1.443 113 HE2 LYS 14 2HE LYS 14 8.064 15.027 -0.159 114 HE3 LYS 14 3HE LYS 14 8.397 15.281 1.553 115 HZ1 LYS 14 1HZ LYS 14 10.687 14.172 0.482 116 HZ2 LYS 14 2HZ LYS 14 10.463 15.774 0.974 117 HZ3 LYS 14 3HZ LYS 14 10.190 15.339 -0.638 118 H ASN 15 H ASN 15 5.746 9.318 0.034 119 HA ASN 15 HA ASN 15 6.544 6.928 1.562 120 HB2 ASN 15 2HB ASN 15 4.609 9.107 2.239 121 HB3 ASN 15 3HB ASN 15 4.286 7.473 2.814 122 HD21 ASN 15 1HD2 ASN 15 4.547 8.144 4.953 123 HD22 ASN 15 2HD2 ASN 15 6.109 8.453 5.624 124 H LYS 16 H LYS 16 3.284 8.061 0.901 125 HA LYS 16 HA LYS 16 2.891 5.739 -0.872 126 HB2 LYS 16 2HB LYS 16 0.948 6.897 1.136 127 HB3 LYS 16 3HB LYS 16 0.580 5.599 0.007 128 HG2 LYS 16 2HG LYS 16 2.663 4.466 1.147 129 HG3 LYS 16 3HG LYS 16 2.249 5.564 2.466 130 HD2 LYS 16 2HD LYS 16 1.110 3.520 2.884 131 HD3 LYS 16 3HD LYS 16 -0.102 4.675 2.324 132 HE2 LYS 16 2HE LYS 16 0.957 3.373 0.044 133 HE3 LYS 16 3HE LYS 16 0.588 2.129 1.238 134 HZ1 LYS 16 1HZ LYS 16 -1.604 2.474 1.040 135 HZ2 LYS 16 2HZ LYS 16 -1.206 3.176 -0.446 136 HZ3 LYS 16 3HZ LYS 16 -1.453 4.155 0.911 137 H SER 17 H SER 17 1.875 9.029 -0.074 138 HA SER 17 HA SER 17 0.876 9.303 -2.834 139 HB2 SER 17 2HB SER 17 -0.573 11.176 -1.810 140 HB3 SER 17 3HB SER 17 -1.052 9.508 -1.499 141 HG SER 17 HG SER 17 0.005 9.674 0.528 142 H ARG 18 H ARG 18 2.664 10.744 -0.190 143 HA ARG 18 HA ARG 18 3.132 13.281 -1.254 144 HB2 ARG 18 2HB ARG 18 4.785 11.544 0.576 145 HB3 ARG 18 3HB ARG 18 5.250 13.187 0.155 146 HG2 ARG 18 2HG ARG 18 3.941 13.987 1.745 147 HG3 ARG 18 3HG ARG 18 2.538 13.209 1.010 148 HD2 ARG 18 2HD ARG 18 2.609 12.331 3.173 149 HD3 ARG 18 3HD ARG 18 3.345 11.078 2.175 150 HE ARG 18 HE ARG 18 5.285 11.371 3.337 151 HH11 ARG 18 1HH1 ARG 18 3.301 14.202 3.751 152 HH12 ARG 18 2HH1 ARG 18 4.364 14.939 4.903 153 HH21 ARG 18 1HH2 ARG 18 6.693 12.330 4.854 154 HH22 ARG 18 2HH2 ARG 18 6.294 13.874 5.529 Start of MODEL 3 1 H1 VAL 1 H VAL 1 1.499 -0.110 1.582 2 HA VAL 1 HA VAL 1 2.278 -1.021 -0.546 3 HB VAL 1 HB VAL 1 0.595 1.209 -1.699 4 HG11 VAL 1 1HG1 VAL 1 2.431 1.038 -3.127 5 HG12 VAL 1 2HG1 VAL 1 2.542 -0.712 -2.928 6 HG13 VAL 1 3HG1 VAL 1 1.225 -0.012 -3.870 7 HG21 VAL 1 1HG2 VAL 1 -0.959 -0.413 -1.214 8 HG22 VAL 1 2HG2 VAL 1 -0.455 -0.911 -2.829 9 HG23 VAL 1 3HG2 VAL 1 0.195 -1.732 -1.411 10 H ALA 2 H ALA 2 4.188 -0.323 0.485 11 HA ALA 2 HA ALA 2 5.093 2.360 -0.339 12 HB1 ALA 2 1HB ALA 2 4.874 1.379 2.252 13 HB2 ALA 2 2HB ALA 2 6.595 1.275 1.878 14 HB3 ALA 2 3HB ALA 2 5.753 2.818 1.734 15 H ARG 3 H ARG 3 5.967 -1.019 0.137 16 HA ARG 3 HA ARG 3 8.649 -0.974 -0.509 17 HB2 ARG 3 2HB ARG 3 8.320 -3.303 -1.327 18 HB3 ARG 3 3HB ARG 3 7.599 -3.003 0.248 19 HG2 ARG 3 2HG ARG 3 5.629 -3.679 -0.492 20 HG3 ARG 3 3HG ARG 3 5.661 -2.464 -1.772 21 HD2 ARG 3 2HD ARG 3 6.564 -3.929 -3.317 22 HD3 ARG 3 3HD ARG 3 7.234 -4.985 -2.075 23 HE ARG 3 HE ARG 3 4.449 -5.049 -1.865 24 HH11 ARG 3 1HH1 ARG 3 6.956 -6.008 -4.082 25 HH12 ARG 3 2HH1 ARG 3 6.052 -7.334 -4.735 26 HH21 ARG 3 1HH2 ARG 3 3.249 -6.792 -2.716 27 HH22 ARG 3 2HH2 ARG 3 3.943 -7.778 -3.958 28 H GLY 4 H GLY 4 5.876 -0.609 -2.595 29 HA2 GLY 4 2HA GLY 4 7.694 -0.472 -4.921 30 HA3 GLY 4 3HA GLY 4 6.008 -0.959 -5.022 31 H TRP 5 H TRP 5 6.449 1.568 -2.838 32 HA TRP 5 HA TRP 5 5.688 3.539 -4.893 33 HB2 TRP 5 2HB TRP 5 4.041 2.685 -2.929 34 HB3 TRP 5 3HB TRP 5 4.838 4.017 -2.095 35 HD1 TRP 5 HD1 TRP 5 2.491 3.302 -5.035 36 HE1 TRP 5 HE1 TRP 5 1.348 5.502 -5.727 37 HE3 TRP 5 HE3 TRP 5 5.122 6.545 -2.086 38 HZ2 TRP 5 HZ2 TRP 5 1.538 8.249 -5.105 39 HZ3 TRP 5 HZ3 TRP 5 4.580 8.942 -2.195 40 HH2 TRP 5 HH2 TRP 5 2.825 9.775 -3.674 41 H GLY 6 H GLY 6 7.973 2.672 -2.602 42 HA2 GLY 6 2HA GLY 6 8.764 5.413 -1.970 43 HA3 GLY 6 3HA GLY 6 9.468 3.948 -1.302 44 H ARG 7 H ARG 7 9.279 3.329 -4.485 45 HA ARG 7 HA ARG 7 11.934 4.489 -5.029 46 HB2 ARG 7 2HB ARG 7 12.279 2.161 -4.741 47 HB3 ARG 7 3HB ARG 7 10.841 1.757 -5.670 48 HG2 ARG 7 2HG ARG 7 11.917 1.881 -7.633 49 HG3 ARG 7 3HG ARG 7 12.868 3.283 -7.141 50 HD2 ARG 7 2HD ARG 7 13.402 0.534 -6.056 51 HD3 ARG 7 3HD ARG 7 14.118 1.095 -7.566 52 HE ARG 7 HE ARG 7 14.860 1.871 -4.904 53 HH11 ARG 7 1HH1 ARG 7 14.826 2.830 -8.250 54 HH12 ARG 7 2HH1 ARG 7 16.161 3.922 -8.086 55 HH21 ARG 7 1HH2 ARG 7 16.618 3.305 -4.675 56 HH22 ARG 7 2HH2 ARG 7 17.180 4.191 -6.052 57 H LYS 8 H LYS 8 8.845 3.464 -6.387 58 HA LYS 8 HA LYS 8 9.200 4.054 -9.052 59 HB2 LYS 8 2HB LYS 8 6.903 3.932 -7.214 60 HB3 LYS 8 3HB LYS 8 6.642 4.919 -8.646 61 HG2 LYS 8 2HG LYS 8 7.682 2.106 -8.793 62 HG3 LYS 8 3HG LYS 8 5.960 2.492 -8.801 63 HD2 LYS 8 2HD LYS 8 7.234 4.182 -10.689 64 HD3 LYS 8 3HD LYS 8 7.808 2.536 -10.968 65 HE2 LYS 8 2HE LYS 8 5.861 2.827 -12.296 66 HE3 LYS 8 3HE LYS 8 5.406 1.803 -10.936 67 HZ1 LYS 8 1HZ LYS 8 3.796 3.604 -11.474 68 HZ2 LYS 8 2HZ LYS 8 4.959 4.734 -10.997 69 HZ3 LYS 8 3HZ LYS 8 4.348 3.625 -9.875 70 H CYS 9 H CYS 9 7.356 6.300 -7.014 71 HA CYS 9 HA CYS 9 7.757 8.523 -8.646 72 HB2 CYS 9 2HB CYS 9 6.941 8.171 -5.783 73 HB3 CYS 9 3HB CYS 9 7.240 9.788 -6.408 74 HG CYS 9 HG CYS 9 4.926 7.587 -7.640 75 HA PRO 10 HA PRO 10 12.026 9.407 -7.778 76 HB2 PRO 10 2HB PRO 10 12.149 11.699 -9.228 77 HB3 PRO 10 3HB PRO 10 12.163 10.093 -9.966 78 HG2 PRO 10 2HG PRO 10 9.886 12.010 -9.645 79 HG3 PRO 10 3HG PRO 10 10.326 11.021 -11.050 80 HD2 PRO 10 2HD PRO 10 8.348 10.322 -9.338 81 HD3 PRO 10 3HD PRO 10 9.354 9.123 -10.176 82 H LEU 11 H LEU 11 9.712 12.128 -7.751 83 HA LEU 11 HA LEU 11 11.144 13.228 -5.431 84 HB2 LEU 11 2HB LEU 11 10.720 15.299 -6.187 85 HB3 LEU 11 3HB LEU 11 10.523 14.473 -7.731 86 HG LEU 11 HG LEU 11 8.252 15.181 -5.876 87 HD11 LEU 11 1HD1 LEU 11 7.798 17.055 -7.221 88 HD12 LEU 11 2HD1 LEU 11 8.958 16.557 -8.452 89 HD13 LEU 11 3HD1 LEU 11 9.528 17.130 -6.885 90 HD21 LEU 11 1HD2 LEU 11 8.132 13.237 -7.608 91 HD22 LEU 11 2HD2 LEU 11 8.012 14.545 -8.785 92 HD23 LEU 11 3HD2 LEU 11 6.812 14.402 -7.499 93 H PHE 12 H PHE 12 8.367 11.554 -6.289 94 HA PHE 12 HA PHE 12 6.894 12.536 -3.939 95 HB2 PHE 12 2HB PHE 12 6.075 11.697 -6.604 96 HB3 PHE 12 3HB PHE 12 5.188 10.846 -5.343 97 HD1 PHE 12 HD1 PHE 12 3.065 11.792 -5.457 98 HD2 PHE 12 HD2 PHE 12 6.485 14.321 -5.291 99 HE1 PHE 12 HE1 PHE 12 1.601 13.748 -5.167 100 HE2 PHE 12 HE2 PHE 12 5.026 16.281 -5.000 101 HZ PHE 12 HZ PHE 12 2.580 15.996 -4.937 102 H GLY 13 H GLY 13 8.954 10.136 -4.812 103 HA2 GLY 13 2HA GLY 13 7.639 7.875 -3.622 104 HA3 GLY 13 3HA GLY 13 9.322 7.961 -4.120 105 H LYS 14 H LYS 14 7.292 9.614 -1.696 106 HA LYS 14 HA LYS 14 9.491 9.511 0.202 107 HB2 LYS 14 2HB LYS 14 7.079 11.105 -0.151 108 HB3 LYS 14 3HB LYS 14 7.288 10.580 1.515 109 HG2 LYS 14 2HG LYS 14 8.400 12.594 1.493 110 HG3 LYS 14 3HG LYS 14 9.713 11.447 1.220 111 HD2 LYS 14 2HD LYS 14 9.929 12.022 -1.008 112 HD3 LYS 14 3HD LYS 14 8.275 12.630 -1.117 113 HE2 LYS 14 2HE LYS 14 9.531 14.229 0.800 114 HE3 LYS 14 3HE LYS 14 10.714 14.036 -0.493 115 HZ1 LYS 14 1HZ LYS 14 7.922 14.753 -1.113 116 HZ2 LYS 14 2HZ LYS 14 9.318 15.024 -2.029 117 HZ3 LYS 14 3HZ LYS 14 9.027 15.944 -0.640 118 H ASN 15 H ASN 15 6.019 8.952 0.727 119 HA ASN 15 HA ASN 15 6.723 6.474 2.158 120 HB2 ASN 15 2HB ASN 15 6.133 8.086 3.829 121 HB3 ASN 15 3HB ASN 15 4.713 8.596 2.920 122 HD21 ASN 15 1HD2 ASN 15 2.976 8.006 3.992 123 HD22 ASN 15 2HD2 ASN 15 2.706 6.465 4.724 124 H LYS 16 H LYS 16 3.519 7.822 1.631 125 HA LYS 16 HA LYS 16 2.934 5.582 -0.192 126 HB2 LYS 16 2HB LYS 16 1.121 6.796 1.902 127 HB3 LYS 16 3HB LYS 16 0.646 5.553 0.752 128 HG2 LYS 16 2HG LYS 16 2.964 5.084 2.572 129 HG3 LYS 16 3HG LYS 16 1.314 4.897 3.171 130 HD2 LYS 16 2HD LYS 16 0.847 3.275 1.412 131 HD3 LYS 16 3HD LYS 16 2.477 3.486 0.768 132 HE2 LYS 16 2HE LYS 16 2.564 1.520 2.058 133 HE3 LYS 16 3HE LYS 16 3.311 2.767 3.056 134 HZ1 LYS 16 1HZ LYS 16 1.605 1.206 4.122 135 HZ2 LYS 16 2HZ LYS 16 0.441 2.141 3.326 136 HZ3 LYS 16 3HZ LYS 16 1.481 2.862 4.449 137 H SER 17 H SER 17 2.157 8.904 0.722 138 HA SER 17 HA SER 17 1.093 9.318 -1.996 139 HB2 SER 17 2HB SER 17 -0.189 11.262 -0.856 140 HB3 SER 17 3HB SER 17 -0.784 9.619 -0.623 141 HG SER 17 HG SER 17 1.005 10.852 1.188 142 H ARG 18 H ARG 18 3.041 10.572 0.631 143 HA ARG 18 HA ARG 18 4.749 12.001 -1.108 144 HB2 ARG 18 2HB ARG 18 2.422 13.426 -0.135 145 HB3 ARG 18 3HB ARG 18 3.906 14.182 0.428 146 HG2 ARG 18 2HG ARG 18 4.681 14.098 -1.992 147 HG3 ARG 18 3HG ARG 18 3.005 13.718 -2.394 148 HD2 ARG 18 2HD ARG 18 3.022 16.011 -2.608 149 HD3 ARG 18 3HD ARG 18 2.476 15.817 -0.944 150 HE ARG 18 HE ARG 18 5.305 16.053 -1.086 151 HH11 ARG 18 1HH1 ARG 18 2.352 17.891 -1.228 152 HH12 ARG 18 2HH1 ARG 18 3.086 19.359 -0.671 153 HH21 ARG 18 1HH2 ARG 18 6.283 17.979 -0.352 154 HH22 ARG 18 2HH2 ARG 18 5.322 19.408 -0.174 Start of MODEL 4 1 H1 VAL 1 H VAL 1 1.871 -2.323 -0.098 2 HA VAL 1 HA VAL 1 3.080 -2.843 -2.199 3 HB VAL 1 HB VAL 1 1.145 -0.840 -3.368 4 HG11 VAL 1 1HG1 VAL 1 3.554 -2.259 -4.394 5 HG12 VAL 1 2HG1 VAL 1 2.222 -1.934 -5.504 6 HG13 VAL 1 3HG1 VAL 1 3.018 -0.602 -4.667 7 HG21 VAL 1 1HG2 VAL 1 -0.136 -2.774 -3.057 8 HG22 VAL 1 2HG2 VAL 1 0.430 -2.893 -4.723 9 HG23 VAL 1 3HG2 VAL 1 1.211 -3.840 -3.458 10 H ALA 2 H ALA 2 4.593 -1.876 -0.755 11 HA ALA 2 HA ALA 2 4.973 1.013 -1.209 12 HB1 ALA 2 1HB ALA 2 6.316 -0.044 1.146 13 HB2 ALA 2 2HB ALA 2 5.279 1.372 0.971 14 HB3 ALA 2 3HB ALA 2 4.562 -0.220 1.216 15 H ARG 3 H ARG 3 6.504 -2.139 -0.903 16 HA ARG 3 HA ARG 3 9.178 -1.384 -1.118 17 HB2 ARG 3 2HB ARG 3 9.630 -3.646 -1.777 18 HB3 ARG 3 3HB ARG 3 8.337 -3.677 -0.586 19 HG2 ARG 3 2HG ARG 3 6.785 -3.676 -2.677 20 HG3 ARG 3 3HG ARG 3 8.233 -4.246 -3.510 21 HD2 ARG 3 2HD ARG 3 7.470 -6.272 -2.877 22 HD3 ARG 3 3HD ARG 3 8.262 -5.860 -1.357 23 HE ARG 3 HE ARG 3 5.593 -4.915 -1.380 24 HH11 ARG 3 1HH1 ARG 3 7.474 -7.828 -1.072 25 HH12 ARG 3 2HH1 ARG 3 6.287 -8.649 -0.114 26 HH21 ARG 3 1HH2 ARG 3 4.022 -5.984 -0.119 27 HH22 ARG 3 2HH2 ARG 3 4.323 -7.600 0.427 28 H GLY 4 H GLY 4 6.681 -1.640 -3.548 29 HA2 GLY 4 2HA GLY 4 8.672 -0.956 -5.620 30 HA3 GLY 4 3HA GLY 4 7.161 -1.794 -5.938 31 H TRP 5 H TRP 5 6.974 0.757 -3.673 32 HA TRP 5 HA TRP 5 5.800 2.498 -5.742 33 HB2 TRP 5 2HB TRP 5 4.314 1.444 -3.877 34 HB3 TRP 5 3HB TRP 5 5.046 2.666 -2.841 35 HD1 TRP 5 HD1 TRP 5 2.482 2.230 -5.592 36 HE1 TRP 5 HE1 TRP 5 1.248 4.459 -5.959 37 HE3 TRP 5 HE3 TRP 5 5.416 5.268 -2.711 38 HZ2 TRP 5 HZ2 TRP 5 1.487 7.149 -5.137 39 HZ3 TRP 5 HZ3 TRP 5 4.845 7.656 -2.555 40 HH2 TRP 5 HH2 TRP 5 2.921 8.575 -3.744 41 H GLY 6 H GLY 6 8.092 2.223 -3.186 42 HA2 GLY 6 2HA GLY 6 8.463 5.109 -2.971 43 HA3 GLY 6 3HA GLY 6 9.294 3.879 -2.030 44 H ARG 7 H ARG 7 9.153 3.386 -5.425 45 HA ARG 7 HA ARG 7 11.939 4.317 -5.673 46 HB2 ARG 7 2HB ARG 7 12.034 1.951 -5.717 47 HB3 ARG 7 3HB ARG 7 10.618 1.836 -6.753 48 HG2 ARG 7 2HG ARG 7 11.816 2.082 -8.625 49 HG3 ARG 7 3HG ARG 7 12.836 3.340 -7.924 50 HD2 ARG 7 2HD ARG 7 13.108 0.417 -7.254 51 HD3 ARG 7 3HD ARG 7 14.013 1.203 -8.547 52 HE ARG 7 HE ARG 7 14.456 2.720 -6.293 53 HH11 ARG 7 1HH1 ARG 7 14.978 -0.583 -7.263 54 HH12 ARG 7 2HH1 ARG 7 16.372 -0.795 -6.255 55 HH21 ARG 7 1HH2 ARG 7 16.289 2.452 -4.962 56 HH22 ARG 7 2HH2 ARG 7 17.116 0.932 -4.946 57 H LYS 8 H LYS 8 8.946 3.639 -7.461 58 HA LYS 8 HA LYS 8 9.593 4.729 -9.910 59 HB2 LYS 8 2HB LYS 8 7.089 4.274 -8.408 60 HB3 LYS 8 3HB LYS 8 6.989 5.459 -9.704 61 HG2 LYS 8 2HG LYS 8 8.296 3.447 -10.957 62 HG3 LYS 8 3HG LYS 8 7.285 2.543 -9.826 63 HD2 LYS 8 2HD LYS 8 5.342 3.936 -10.655 64 HD3 LYS 8 3HD LYS 8 6.412 4.504 -11.938 65 HE2 LYS 8 2HE LYS 8 6.487 2.452 -12.968 66 HE3 LYS 8 3HE LYS 8 6.146 1.572 -11.479 67 HZ1 LYS 8 1HZ LYS 8 3.888 2.980 -11.821 68 HZ2 LYS 8 2HZ LYS 8 4.108 1.388 -12.349 69 HZ3 LYS 8 3HZ LYS 8 4.321 2.674 -13.428 70 H CYS 9 H CYS 9 7.458 6.514 -7.705 71 HA CYS 9 HA CYS 9 8.052 9.020 -8.831 72 HB2 CYS 9 2HB CYS 9 6.717 8.138 -6.292 73 HB3 CYS 9 3HB CYS 9 7.043 9.845 -6.570 74 HG CYS 9 HG CYS 9 5.388 8.101 -8.966 75 HA PRO 10 HA PRO 10 12.038 9.668 -6.961 76 HB2 PRO 10 2HB PRO 10 12.412 12.166 -7.956 77 HB3 PRO 10 3HB PRO 10 12.617 10.704 -8.928 78 HG2 PRO 10 2HG PRO 10 10.281 12.571 -8.785 79 HG3 PRO 10 3HG PRO 10 11.030 11.823 -10.208 80 HD2 PRO 10 2HD PRO 10 8.751 10.876 -9.091 81 HD3 PRO 10 3HD PRO 10 9.938 9.819 -9.883 82 H LEU 11 H LEU 11 9.721 12.387 -6.982 83 HA LEU 11 HA LEU 11 10.642 13.122 -4.295 84 HB2 LEU 11 2HB LEU 11 9.919 15.281 -4.695 85 HB3 LEU 11 3HB LEU 11 10.527 14.768 -6.268 86 HG LEU 11 HG LEU 11 7.863 14.121 -6.418 87 HD11 LEU 11 1HD1 LEU 11 7.934 16.855 -5.195 88 HD12 LEU 11 2HD1 LEU 11 7.662 15.416 -4.213 89 HD13 LEU 11 3HD1 LEU 11 6.545 15.817 -5.518 90 HD21 LEU 11 1HD2 LEU 11 9.435 16.520 -7.305 91 HD22 LEU 11 2HD2 LEU 11 7.744 16.294 -7.753 92 HD23 LEU 11 3HD2 LEU 11 8.952 15.106 -8.244 93 H PHE 12 H PHE 12 8.015 11.720 -5.980 94 HA PHE 12 HA PHE 12 6.200 12.143 -3.713 95 HB2 PHE 12 2HB PHE 12 5.828 11.934 -6.568 96 HB3 PHE 12 3HB PHE 12 4.853 10.728 -5.735 97 HD1 PHE 12 HD1 PHE 12 2.695 11.576 -6.022 98 HD2 PHE 12 HD2 PHE 12 5.772 14.101 -4.515 99 HE1 PHE 12 HE1 PHE 12 1.018 13.297 -5.493 100 HE2 PHE 12 HE2 PHE 12 4.100 15.826 -3.983 101 HZ PHE 12 HZ PHE 12 1.720 15.426 -4.471 102 H GLY 13 H GLY 13 8.483 10.004 -4.613 103 HA2 GLY 13 2HA GLY 13 7.450 7.466 -4.553 104 HA3 GLY 13 3HA GLY 13 8.994 7.899 -3.833 105 H LYS 14 H LYS 14 7.598 9.737 -1.927 106 HA LYS 14 HA LYS 14 6.434 7.691 -0.155 107 HB2 LYS 14 2HB LYS 14 7.427 9.153 1.719 108 HB3 LYS 14 3HB LYS 14 8.518 8.108 0.820 109 HG2 LYS 14 2HG LYS 14 8.196 10.835 -0.243 110 HG3 LYS 14 3HG LYS 14 8.999 10.702 1.324 111 HD2 LYS 14 2HD LYS 14 10.178 8.696 -0.141 112 HD3 LYS 14 3HD LYS 14 9.946 9.972 -1.340 113 HE2 LYS 14 2HE LYS 14 10.898 11.406 0.748 114 HE3 LYS 14 3HE LYS 14 11.721 9.869 1.008 115 HZ1 LYS 14 1HZ LYS 14 13.165 10.498 -0.529 116 HZ2 LYS 14 2HZ LYS 14 12.261 11.874 -0.917 117 HZ3 LYS 14 3HZ LYS 14 11.939 10.404 -1.691 118 H ASN 15 H ASN 15 4.334 8.327 -0.823 119 HA ASN 15 HA ASN 15 3.273 10.862 -0.917 120 HB2 ASN 15 2HB ASN 15 2.267 8.279 -1.056 121 HB3 ASN 15 3HB ASN 15 1.425 8.977 0.325 122 HD21 ASN 15 1HD2 ASN 15 -0.553 9.194 -0.576 123 HD22 ASN 15 2HD2 ASN 15 -0.898 10.233 -1.912 124 H LYS 16 H LYS 16 4.184 9.004 1.862 125 HA LYS 16 HA LYS 16 2.691 10.064 3.900 126 HB2 LYS 16 2HB LYS 16 5.664 9.515 3.972 127 HB3 LYS 16 3HB LYS 16 4.608 9.639 5.373 128 HG2 LYS 16 2HG LYS 16 4.001 7.634 3.251 129 HG3 LYS 16 3HG LYS 16 5.274 7.308 4.430 130 HD2 LYS 16 2HD LYS 16 3.673 7.664 6.250 131 HD3 LYS 16 3HD LYS 16 2.402 7.985 5.068 132 HE2 LYS 16 2HE LYS 16 1.977 5.811 4.937 133 HE3 LYS 16 3HE LYS 16 3.625 5.521 4.381 134 HZ1 LYS 16 1HZ LYS 16 3.891 4.390 6.258 135 HZ2 LYS 16 2HZ LYS 16 2.448 4.969 6.924 136 HZ3 LYS 16 3HZ LYS 16 3.871 5.871 7.077 137 H SER 17 H SER 17 5.324 11.569 2.142 138 HA SER 17 HA SER 17 5.967 13.691 3.773 139 HB2 SER 17 2HB SER 17 6.673 12.959 1.260 140 HB3 SER 17 3HB SER 17 5.674 14.369 0.906 141 HG SER 17 HG SER 17 7.906 14.875 1.260 142 H ARG 18 H ARG 18 3.380 13.580 1.329 143 HA ARG 18 HA ARG 18 2.386 16.171 1.897 144 HB2 ARG 18 2HB ARG 18 1.838 14.106 0.045 145 HB3 ARG 18 3HB ARG 18 0.326 14.454 0.873 146 HG2 ARG 18 2HG ARG 18 1.488 16.938 0.246 147 HG3 ARG 18 3HG ARG 18 1.630 15.926 -1.193 148 HD2 ARG 18 2HD ARG 18 -0.964 15.911 0.245 149 HD3 ARG 18 3HD ARG 18 -0.546 17.364 -0.662 150 HE ARG 18 HE ARG 18 -1.257 14.791 -1.735 151 HH11 ARG 18 1HH1 ARG 18 0.388 17.800 -2.337 152 HH12 ARG 18 2HH1 ARG 18 0.254 17.679 -4.060 153 HH21 ARG 18 1HH2 ARG 18 -1.440 14.621 -4.003 154 HH22 ARG 18 2HH2 ARG 18 -0.786 15.871 -5.007 Start of MODEL 5 1 H1 VAL 1 H VAL 1 1.950 -3.522 -0.870 2 HA VAL 1 HA VAL 1 1.813 -1.982 -3.183 3 HB VAL 1 HB VAL 1 -0.070 -2.386 -1.583 4 HG11 VAL 1 1HG1 VAL 1 1.156 -1.846 0.478 5 HG12 VAL 1 2HG1 VAL 1 1.217 -0.153 -0.015 6 HG13 VAL 1 3HG1 VAL 1 -0.335 -0.917 0.331 7 HG21 VAL 1 1HG2 VAL 1 -1.211 -0.609 -2.403 8 HG22 VAL 1 2HG2 VAL 1 0.017 0.553 -1.899 9 HG23 VAL 1 3HG2 VAL 1 0.257 -0.406 -3.359 10 H ALA 2 H ALA 2 4.044 -1.726 -0.743 11 HA ALA 2 HA ALA 2 4.542 1.116 -1.351 12 HB1 ALA 2 1HB ALA 2 3.961 0.206 1.099 13 HB2 ALA 2 2HB ALA 2 5.710 -0.026 1.111 14 HB3 ALA 2 3HB ALA 2 5.035 1.575 0.808 15 H ARG 3 H ARG 3 5.994 -2.045 -0.743 16 HA ARG 3 HA ARG 3 8.676 -1.428 -0.981 17 HB2 ARG 3 2HB ARG 3 8.913 -3.781 -1.893 18 HB3 ARG 3 3HB ARG 3 8.089 -3.634 -0.346 19 HG2 ARG 3 2HG ARG 3 6.315 -4.676 -1.155 20 HG3 ARG 3 3HG ARG 3 6.162 -3.481 -2.444 21 HD2 ARG 3 2HD ARG 3 6.384 -5.679 -3.410 22 HD3 ARG 3 3HD ARG 3 7.833 -4.736 -3.758 23 HE ARG 3 HE ARG 3 8.103 -6.324 -1.398 24 HH11 ARG 3 1HH1 ARG 3 8.267 -6.388 -4.875 25 HH12 ARG 3 2HH1 ARG 3 9.357 -7.734 -4.929 26 HH21 ARG 3 1HH2 ARG 3 9.538 -8.097 -1.456 27 HH22 ARG 3 2HH2 ARG 3 10.079 -8.706 -2.984 28 H GLY 4 H GLY 4 6.234 -1.696 -3.472 29 HA2 GLY 4 2HA GLY 4 8.303 -1.149 -5.507 30 HA3 GLY 4 3HA GLY 4 6.774 -1.950 -5.839 31 H TRP 5 H TRP 5 6.673 0.718 -3.683 32 HA TRP 5 HA TRP 5 5.565 2.395 -5.838 33 HB2 TRP 5 2HB TRP 5 4.032 1.497 -3.937 34 HB3 TRP 5 3HB TRP 5 4.816 2.726 -2.949 35 HD1 TRP 5 HD1 TRP 5 2.238 2.292 -5.686 36 HE1 TRP 5 HE1 TRP 5 1.105 4.557 -6.150 37 HE3 TRP 5 HE3 TRP 5 5.304 5.312 -2.927 38 HZ2 TRP 5 HZ2 TRP 5 1.465 7.265 -5.440 39 HZ3 TRP 5 HZ3 TRP 5 4.842 7.728 -2.872 40 HH2 TRP 5 HH2 TRP 5 2.962 8.683 -4.103 41 H GLY 6 H GLY 6 7.838 2.161 -3.261 42 HA2 GLY 6 2HA GLY 6 8.326 5.039 -3.204 43 HA3 GLY 6 3HA GLY 6 9.093 3.833 -2.182 44 H ARG 7 H ARG 7 8.943 3.221 -5.573 45 HA ARG 7 HA ARG 7 11.787 3.957 -5.816 46 HB2 ARG 7 2HB ARG 7 10.316 1.496 -6.668 47 HB3 ARG 7 3HB ARG 7 11.694 2.037 -7.616 48 HG2 ARG 7 2HG ARG 7 12.305 2.015 -4.794 49 HG3 ARG 7 3HG ARG 7 11.747 0.437 -5.353 50 HD2 ARG 7 2HD ARG 7 14.028 0.327 -5.735 51 HD3 ARG 7 3HD ARG 7 13.401 0.819 -7.308 52 HE ARG 7 HE ARG 7 14.551 2.777 -7.093 53 HH11 ARG 7 1HH1 ARG 7 14.184 1.348 -3.940 54 HH12 ARG 7 2HH1 ARG 7 15.182 2.523 -3.148 55 HH21 ARG 7 1HH2 ARG 7 15.866 4.329 -6.062 56 HH22 ARG 7 2HH2 ARG 7 16.137 4.219 -4.356 57 H LYS 8 H LYS 8 8.806 3.367 -7.666 58 HA LYS 8 HA LYS 8 9.557 4.389 -10.111 59 HB2 LYS 8 2HB LYS 8 6.998 4.059 -8.672 60 HB3 LYS 8 3HB LYS 8 6.979 5.224 -9.989 61 HG2 LYS 8 2HG LYS 8 8.289 3.030 -11.053 62 HG3 LYS 8 3HG LYS 8 6.998 2.334 -10.071 63 HD2 LYS 8 2HD LYS 8 5.332 3.559 -11.249 64 HD3 LYS 8 3HD LYS 8 6.546 4.548 -12.064 65 HE2 LYS 8 2HE LYS 8 6.536 3.093 -13.743 66 HE3 LYS 8 3HE LYS 8 7.189 1.877 -12.647 67 HZ1 LYS 8 1HZ LYS 8 4.931 1.260 -12.045 68 HZ2 LYS 8 2HZ LYS 8 5.168 1.104 -13.712 69 HZ3 LYS 8 3HZ LYS 8 4.305 2.424 -13.101 70 H CYS 9 H CYS 9 7.429 6.301 -8.011 71 HA CYS 9 HA CYS 9 8.133 8.758 -9.163 72 HB2 CYS 9 2HB CYS 9 6.753 7.978 -6.614 73 HB3 CYS 9 3HB CYS 9 7.137 9.666 -6.931 74 HG CYS 9 HG CYS 9 5.500 8.009 -9.374 75 HA PRO 10 HA PRO 10 12.130 9.287 -7.273 76 HB2 PRO 10 2HB PRO 10 12.618 11.736 -8.339 77 HB3 PRO 10 3HB PRO 10 12.772 10.238 -9.264 78 HG2 PRO 10 2HG PRO 10 10.515 12.204 -9.204 79 HG3 PRO 10 3HG PRO 10 11.246 11.381 -10.595 80 HD2 PRO 10 2HD PRO 10 8.919 10.564 -9.476 81 HD3 PRO 10 3HD PRO 10 10.068 9.435 -10.222 82 H LEU 11 H LEU 11 9.933 12.101 -7.404 83 HA LEU 11 HA LEU 11 10.855 12.878 -4.730 84 HB2 LEU 11 2HB LEU 11 10.229 15.052 -5.203 85 HB3 LEU 11 3HB LEU 11 10.829 14.466 -6.753 86 HG LEU 11 HG LEU 11 8.142 13.927 -6.912 87 HD11 LEU 11 1HD1 LEU 11 8.033 15.338 -4.739 88 HD12 LEU 11 2HD1 LEU 11 6.878 15.649 -6.035 89 HD13 LEU 11 3HD1 LEU 11 8.273 16.707 -5.824 90 HD21 LEU 11 1HD2 LEU 11 9.874 16.170 -7.876 91 HD22 LEU 11 2HD2 LEU 11 8.155 16.128 -8.270 92 HD23 LEU 11 3HD2 LEU 11 9.209 14.805 -8.774 93 H PHE 12 H PHE 12 8.183 11.548 -6.408 94 HA PHE 12 HA PHE 12 6.365 12.114 -4.176 95 HB2 PHE 12 2HB PHE 12 6.017 11.824 -7.027 96 HB3 PHE 12 3HB PHE 12 4.985 10.687 -6.167 97 HD1 PHE 12 HD1 PHE 12 2.867 11.612 -6.514 98 HD2 PHE 12 HD2 PHE 12 6.024 14.058 -5.043 99 HE1 PHE 12 HE1 PHE 12 1.255 13.416 -6.065 100 HE2 PHE 12 HE2 PHE 12 4.417 15.866 -4.590 101 HZ PHE 12 HZ PHE 12 2.029 15.546 -5.100 102 H GLY 13 H GLY 13 8.568 9.855 -4.970 103 HA2 GLY 13 2HA GLY 13 7.426 7.365 -4.836 104 HA3 GLY 13 3HA GLY 13 8.982 7.757 -4.118 105 H LYS 14 H LYS 14 7.630 9.724 -2.298 106 HA LYS 14 HA LYS 14 6.389 7.786 -0.457 107 HB2 LYS 14 2HB LYS 14 7.405 9.292 1.367 108 HB3 LYS 14 3HB LYS 14 8.477 8.186 0.519 109 HG2 LYS 14 2HG LYS 14 9.341 9.959 -0.836 110 HG3 LYS 14 3HG LYS 14 8.150 11.092 -0.193 111 HD2 LYS 14 2HD LYS 14 9.923 11.651 1.126 112 HD3 LYS 14 3HD LYS 14 9.252 10.346 2.107 113 HE2 LYS 14 2HE LYS 14 11.198 9.586 0.009 114 HE3 LYS 14 3HE LYS 14 11.830 10.466 1.399 115 HZ1 LYS 14 1HZ LYS 14 11.549 7.832 1.351 116 HZ2 LYS 14 2HZ LYS 14 10.040 8.253 1.988 117 HZ3 LYS 14 3HZ LYS 14 11.456 8.740 2.775 118 H ASN 15 H ASN 15 4.313 8.448 -1.162 119 HA ASN 15 HA ASN 15 3.319 11.001 -1.381 120 HB2 ASN 15 2HB ASN 15 2.230 8.527 -1.560 121 HB3 ASN 15 3HB ASN 15 1.514 9.073 -0.047 122 HD21 ASN 15 1HD2 ASN 15 -0.243 8.611 -1.891 123 HD22 ASN 15 2HD2 ASN 15 -0.832 10.055 -2.634 124 H LYS 16 H LYS 16 4.176 9.260 1.488 125 HA LYS 16 HA LYS 16 2.707 10.443 3.471 126 HB2 LYS 16 2HB LYS 16 4.603 8.694 3.621 127 HB3 LYS 16 3HB LYS 16 5.677 10.078 3.777 128 HG2 LYS 16 2HG LYS 16 4.922 10.608 5.860 129 HG3 LYS 16 3HG LYS 16 3.315 9.939 5.570 130 HD2 LYS 16 2HD LYS 16 4.216 7.678 5.718 131 HD3 LYS 16 3HD LYS 16 5.839 8.329 5.962 132 HE2 LYS 16 2HE LYS 16 5.441 8.861 8.121 133 HE3 LYS 16 3HE LYS 16 3.768 9.323 7.809 134 HZ1 LYS 16 1HZ LYS 16 4.161 6.526 7.456 135 HZ2 LYS 16 2HZ LYS 16 3.065 7.335 8.457 136 HZ3 LYS 16 3HZ LYS 16 4.632 7.011 9.007 137 H SER 17 H SER 17 5.449 11.799 1.724 138 HA SER 17 HA SER 17 6.036 14.012 3.249 139 HB2 SER 17 2HB SER 17 5.890 14.141 0.239 140 HB3 SER 17 3HB SER 17 7.015 14.970 1.314 141 HG SER 17 HG SER 17 8.128 13.265 0.495 142 H ARG 18 H ARG 18 3.930 14.172 0.375 143 HA ARG 18 HA ARG 18 2.782 16.651 1.185 144 HB2 ARG 18 2HB ARG 18 1.458 16.510 -0.784 145 HB3 ARG 18 3HB ARG 18 3.030 15.836 -1.191 146 HG2 ARG 18 2HG ARG 18 2.014 14.019 -1.935 147 HG3 ARG 18 3HG ARG 18 1.459 13.688 -0.293 148 HD2 ARG 18 2HD ARG 18 -0.358 15.514 -0.978 149 HD3 ARG 18 3HD ARG 18 0.020 14.897 -2.586 150 HE ARG 18 HE ARG 18 -0.466 12.774 -0.766 151 HH11 ARG 18 1HH1 ARG 18 -2.067 15.223 -2.652 152 HH12 ARG 18 2HH1 ARG 18 -3.547 14.333 -2.792 153 HH21 ARG 18 1HH2 ARG 18 -2.408 11.592 -0.944 154 HH22 ARG 18 2HH2 ARG 18 -3.740 12.268 -1.820 Start of MODEL 6 1 H1 VAL 1 H VAL 1 0.320 -2.541 -0.671 2 HA VAL 1 HA VAL 1 2.455 -2.855 -1.399 3 HB VAL 1 HB VAL 1 1.531 -1.466 -3.915 4 HG11 VAL 1 1HG1 VAL 1 4.035 -2.414 -3.185 5 HG12 VAL 1 2HG1 VAL 1 3.362 -3.687 -4.206 6 HG13 VAL 1 3HG1 VAL 1 3.484 -2.037 -4.817 7 HG21 VAL 1 1HG2 VAL 1 0.814 -4.060 -2.761 8 HG22 VAL 1 2HG2 VAL 1 0.009 -3.113 -4.013 9 HG23 VAL 1 3HG2 VAL 1 1.381 -4.140 -4.429 10 H ALA 2 H ALA 2 4.092 -1.774 -0.542 11 HA ALA 2 HA ALA 2 4.356 1.100 -1.149 12 HB1 ALA 2 1HB ALA 2 5.670 0.124 1.290 13 HB2 ALA 2 2HB ALA 2 4.745 1.599 1.008 14 HB3 ALA 2 3HB ALA 2 3.907 0.078 1.319 15 H ARG 3 H ARG 3 5.986 -1.978 -0.731 16 HA ARG 3 HA ARG 3 8.640 -1.124 -0.946 17 HB2 ARG 3 2HB ARG 3 9.137 -3.428 -1.653 18 HB3 ARG 3 3HB ARG 3 8.060 -3.387 -0.264 19 HG2 ARG 3 2HG ARG 3 6.772 -4.802 -1.389 20 HG3 ARG 3 3HG ARG 3 6.334 -3.434 -2.414 21 HD2 ARG 3 2HD ARG 3 7.071 -4.814 -4.049 22 HD3 ARG 3 3HD ARG 3 8.633 -4.138 -3.588 23 HE ARG 3 HE ARG 3 8.259 -6.340 -1.977 24 HH11 ARG 3 1HH1 ARG 3 8.458 -5.703 -5.394 25 HH12 ARG 3 2HH1 ARG 3 9.117 -7.259 -5.778 26 HH21 ARG 3 1HH2 ARG 3 9.126 -8.392 -2.470 27 HH22 ARG 3 2HH2 ARG 3 9.495 -8.788 -4.114 28 H GLY 4 H GLY 4 6.155 -1.505 -3.348 29 HA2 GLY 4 2HA GLY 4 8.123 -1.080 -5.496 30 HA3 GLY 4 3HA GLY 4 6.490 -1.689 -5.720 31 H TRP 5 H TRP 5 5.603 0.484 -3.752 32 HA TRP 5 HA TRP 5 5.085 2.465 -5.792 33 HB2 TRP 5 2HB TRP 5 3.454 1.570 -3.964 34 HB3 TRP 5 3HB TRP 5 4.248 2.749 -2.924 35 HD1 TRP 5 HD1 TRP 5 1.757 2.468 -5.763 36 HE1 TRP 5 HE1 TRP 5 0.721 4.781 -6.211 37 HE3 TRP 5 HE3 TRP 5 4.819 5.313 -2.819 38 HZ2 TRP 5 HZ2 TRP 5 1.146 7.457 -5.422 39 HZ3 TRP 5 HZ3 TRP 5 4.437 7.742 -2.721 40 HH2 TRP 5 HH2 TRP 5 2.639 8.790 -3.997 41 H GLY 6 H GLY 6 7.262 2.037 -3.162 42 HA2 GLY 6 2HA GLY 6 7.869 4.886 -2.973 43 HA3 GLY 6 3HA GLY 6 8.555 3.608 -1.981 44 H ARG 7 H ARG 7 8.491 3.086 -5.379 45 HA ARG 7 HA ARG 7 11.358 3.752 -5.529 46 HB2 ARG 7 2HB ARG 7 9.848 1.350 -6.481 47 HB3 ARG 7 3HB ARG 7 11.280 1.868 -7.360 48 HG2 ARG 7 2HG ARG 7 11.847 1.808 -4.556 49 HG3 ARG 7 3HG ARG 7 11.148 0.268 -5.061 50 HD2 ARG 7 2HD ARG 7 13.466 0.027 -5.368 51 HD3 ARG 7 3HD ARG 7 12.812 0.318 -6.980 52 HE ARG 7 HE ARG 7 13.495 2.794 -6.128 53 HH11 ARG 7 1HH1 ARG 7 15.202 -0.234 -6.314 54 HH12 ARG 7 2HH1 ARG 7 16.750 0.504 -6.557 55 HH21 ARG 7 1HH2 ARG 7 15.528 3.778 -6.448 56 HH22 ARG 7 2HH2 ARG 7 16.935 2.786 -6.632 57 H LYS 8 H LYS 8 8.400 3.305 -7.448 58 HA LYS 8 HA LYS 8 9.235 4.322 -9.866 59 HB2 LYS 8 2HB LYS 8 6.644 4.084 -8.472 60 HB3 LYS 8 3HB LYS 8 6.693 5.280 -9.760 61 HG2 LYS 8 2HG LYS 8 7.512 3.537 -11.303 62 HG3 LYS 8 3HG LYS 8 7.348 2.351 -10.006 63 HD2 LYS 8 2HD LYS 8 5.056 4.059 -10.948 64 HD3 LYS 8 3HD LYS 8 5.430 2.488 -11.661 65 HE2 LYS 8 2HE LYS 8 4.883 2.960 -8.733 66 HE3 LYS 8 3HE LYS 8 3.684 2.396 -9.896 67 HZ1 LYS 8 1HZ LYS 8 5.968 0.779 -10.098 68 HZ2 LYS 8 2HZ LYS 8 4.410 0.341 -9.606 69 HZ3 LYS 8 3HZ LYS 8 5.537 0.878 -8.465 70 H CYS 9 H CYS 9 7.169 6.306 -7.770 71 HA CYS 9 HA CYS 9 8.026 8.740 -8.882 72 HB2 CYS 9 2HB CYS 9 6.501 7.991 -6.411 73 HB3 CYS 9 3HB CYS 9 7.004 9.659 -6.654 74 HG CYS 9 HG CYS 9 4.311 8.306 -7.691 75 HA PRO 10 HA PRO 10 11.973 9.046 -6.843 76 HB2 PRO 10 2HB PRO 10 12.620 11.480 -7.856 77 HB3 PRO 10 3HB PRO 10 12.733 9.987 -8.796 78 HG2 PRO 10 2HG PRO 10 10.576 12.063 -8.789 79 HG3 PRO 10 3HG PRO 10 11.315 11.221 -10.164 80 HD2 PRO 10 2HD PRO 10 8.911 10.509 -9.141 81 HD3 PRO 10 3HD PRO 10 10.029 9.333 -9.861 82 H LEU 11 H LEU 11 9.927 11.970 -7.014 83 HA LEU 11 HA LEU 11 10.777 12.653 -4.289 84 HB2 LEU 11 2HB LEU 11 10.563 14.831 -4.820 85 HB3 LEU 11 3HB LEU 11 10.765 14.216 -6.459 86 HG LEU 11 HG LEU 11 8.093 14.775 -5.176 87 HD11 LEU 11 1HD1 LEU 11 9.667 16.769 -5.565 88 HD12 LEU 11 2HD1 LEU 11 8.034 16.850 -6.225 89 HD13 LEU 11 3HD1 LEU 11 9.393 16.465 -7.281 90 HD21 LEU 11 1HD2 LEU 11 8.680 14.512 -8.102 91 HD22 LEU 11 2HD2 LEU 11 7.141 14.355 -7.255 92 HD23 LEU 11 3HD2 LEU 11 8.362 13.090 -7.109 93 H PHE 12 H PHE 12 8.192 11.332 -6.009 94 HA PHE 12 HA PHE 12 6.279 12.041 -3.890 95 HB2 PHE 12 2HB PHE 12 6.033 11.690 -6.779 96 HB3 PHE 12 3HB PHE 12 4.826 10.779 -5.878 97 HD1 PHE 12 HD1 PHE 12 6.288 13.985 -4.798 98 HD2 PHE 12 HD2 PHE 12 2.917 12.026 -6.503 99 HE1 PHE 12 HE1 PHE 12 4.958 16.036 -4.516 100 HE2 PHE 12 HE2 PHE 12 1.581 14.073 -6.226 101 HZ PHE 12 HZ PHE 12 2.602 16.082 -5.232 102 H GLY 13 H GLY 13 8.385 9.674 -4.647 103 HA2 GLY 13 2HA GLY 13 7.094 7.252 -4.598 104 HA3 GLY 13 3HA GLY 13 8.648 7.539 -3.829 105 H LYS 14 H LYS 14 7.349 9.555 -2.017 106 HA LYS 14 HA LYS 14 5.951 7.659 -0.246 107 HB2 LYS 14 2HB LYS 14 6.991 9.080 1.633 108 HB3 LYS 14 3HB LYS 14 8.027 7.929 0.798 109 HG2 LYS 14 2HG LYS 14 8.995 9.693 -0.527 110 HG3 LYS 14 3HG LYS 14 7.881 10.871 0.171 111 HD2 LYS 14 2HD LYS 14 9.982 11.106 1.285 112 HD3 LYS 14 3HD LYS 14 8.860 10.341 2.413 113 HE2 LYS 14 2HE LYS 14 9.857 8.224 2.122 114 HE3 LYS 14 3HE LYS 14 10.736 8.748 0.687 115 HZ1 LYS 14 1HZ LYS 14 12.423 9.383 1.950 116 HZ2 LYS 14 2HZ LYS 14 11.637 8.746 3.305 117 HZ3 LYS 14 3HZ LYS 14 11.427 10.374 2.892 118 H ASN 15 H ASN 15 3.935 8.443 -0.996 119 HA ASN 15 HA ASN 15 3.082 11.043 -1.213 120 HB2 ASN 15 2HB ASN 15 1.867 8.629 -1.425 121 HB3 ASN 15 3HB ASN 15 1.146 9.212 0.072 122 HD21 ASN 15 1HD2 ASN 15 -0.133 11.069 0.036 123 HD22 ASN 15 2HD2 ASN 15 -0.803 11.683 -1.434 124 H LYS 16 H LYS 16 3.766 9.238 1.667 125 HA LYS 16 HA LYS 16 2.322 10.510 3.617 126 HB2 LYS 16 2HB LYS 16 5.235 9.717 3.792 127 HB3 LYS 16 3HB LYS 16 4.161 9.993 5.158 128 HG2 LYS 16 2HG LYS 16 2.714 8.136 4.089 129 HG3 LYS 16 3HG LYS 16 4.186 7.734 3.202 130 HD2 LYS 16 2HD LYS 16 4.576 8.139 6.081 131 HD3 LYS 16 3HD LYS 16 3.535 6.774 5.671 132 HE2 LYS 16 2HE LYS 16 5.379 6.130 4.005 133 HE3 LYS 16 3HE LYS 16 6.395 7.260 4.899 134 HZ1 LYS 16 1HZ LYS 16 4.914 5.127 6.299 135 HZ2 LYS 16 2HZ LYS 16 6.289 5.971 6.806 136 HZ3 LYS 16 3HZ LYS 16 6.413 4.810 5.582 137 H SER 17 H SER 17 5.112 11.711 1.867 138 HA SER 17 HA SER 17 5.897 13.841 3.422 139 HB2 SER 17 2HB SER 17 5.666 14.007 0.416 140 HB3 SER 17 3HB SER 17 6.845 14.804 1.457 141 HG SER 17 HG SER 17 7.895 13.070 0.643 142 H ARG 18 H ARG 18 3.542 14.030 0.746 143 HA ARG 18 HA ARG 18 2.682 16.648 1.450 144 HB2 ARG 18 2HB ARG 18 2.338 14.915 -0.723 145 HB3 ARG 18 3HB ARG 18 0.721 15.167 -0.079 146 HG2 ARG 18 2HG ARG 18 0.851 17.503 -0.400 147 HG3 ARG 18 3HG ARG 18 2.588 17.434 -0.704 148 HD2 ARG 18 2HD ARG 18 1.955 17.492 -2.864 149 HD3 ARG 18 3HD ARG 18 1.689 15.765 -2.625 150 HE ARG 18 HE ARG 18 -0.535 16.139 -2.936 151 HH11 ARG 18 1HH1 ARG 18 0.954 19.126 -1.945 152 HH12 ARG 18 2HH1 ARG 18 -0.496 20.058 -2.122 153 HH21 ARG 18 1HH2 ARG 18 -2.450 17.355 -3.172 154 HH22 ARG 18 2HH2 ARG 18 -2.431 19.050 -2.819 Start of MODEL 7 1 H1 VAL 1 H VAL 1 0.696 -1.712 -2.209 2 HA VAL 1 HA VAL 1 3.203 -3.098 -1.511 3 HB VAL 1 HB VAL 1 2.409 -1.961 -4.195 4 HG11 VAL 1 1HG1 VAL 1 4.941 -2.797 -3.079 5 HG12 VAL 1 2HG1 VAL 1 4.514 -3.751 -4.501 6 HG13 VAL 1 3HG1 VAL 1 4.596 -1.992 -4.610 7 HG21 VAL 1 1HG2 VAL 1 2.430 -4.403 -4.855 8 HG22 VAL 1 2HG2 VAL 1 2.429 -4.776 -3.131 9 HG23 VAL 1 3HG2 VAL 1 1.082 -3.887 -3.842 10 H ALA 2 H ALA 2 4.679 -1.849 -0.594 11 HA ALA 2 HA ALA 2 4.732 1.017 -1.287 12 HB1 ALA 2 1HB ALA 2 4.117 0.100 1.151 13 HB2 ALA 2 2HB ALA 2 5.873 0.172 1.304 14 HB3 ALA 2 3HB ALA 2 4.965 1.623 0.880 15 H ARG 3 H ARG 3 6.621 -1.852 -0.511 16 HA ARG 3 HA ARG 3 9.181 -0.776 -0.557 17 HB2 ARG 3 2HB ARG 3 9.946 -3.040 -1.158 18 HB3 ARG 3 3HB ARG 3 8.751 -3.068 0.132 19 HG2 ARG 3 2HG ARG 3 7.844 -4.705 -1.105 20 HG3 ARG 3 3HG ARG 3 7.145 -3.361 -2.010 21 HD2 ARG 3 2HD ARG 3 8.185 -4.082 -3.833 22 HD3 ARG 3 3HD ARG 3 9.732 -3.782 -3.043 23 HE ARG 3 HE ARG 3 9.969 -6.037 -2.725 24 HH11 ARG 3 1HH1 ARG 3 6.659 -5.338 -3.547 25 HH12 ARG 3 2HH1 ARG 3 6.211 -7.004 -3.712 26 HH21 ARG 3 1HH2 ARG 3 9.392 -8.233 -2.938 27 HH22 ARG 3 2HH2 ARG 3 7.767 -8.650 -3.364 28 H GLY 4 H GLY 4 6.986 -1.453 -3.172 29 HA2 GLY 4 2HA GLY 4 9.102 -0.868 -5.134 30 HA3 GLY 4 3HA GLY 4 7.570 -1.650 -5.495 31 H TRP 5 H TRP 5 6.264 0.449 -3.697 32 HA TRP 5 HA TRP 5 5.709 2.305 -5.828 33 HB2 TRP 5 2HB TRP 5 4.057 1.337 -4.074 34 HB3 TRP 5 3HB TRP 5 4.690 2.596 -3.016 35 HD1 TRP 5 HD1 TRP 5 2.395 2.059 -5.980 36 HE1 TRP 5 HE1 TRP 5 1.201 4.270 -6.537 37 HE3 TRP 5 HE3 TRP 5 5.046 5.201 -2.941 38 HZ2 TRP 5 HZ2 TRP 5 1.363 6.987 -5.788 39 HZ3 TRP 5 HZ3 TRP 5 4.464 7.592 -2.921 40 HH2 TRP 5 HH2 TRP 5 2.660 8.464 -4.316 41 H GLY 6 H GLY 6 7.752 2.208 -3.057 42 HA2 GLY 6 2HA GLY 6 8.083 5.110 -2.999 43 HA3 GLY 6 3HA GLY 6 8.803 3.959 -1.883 44 H ARG 7 H ARG 7 8.989 3.410 -5.306 45 HA ARG 7 HA ARG 7 11.831 4.189 -5.242 46 HB2 ARG 7 2HB ARG 7 10.705 1.636 -5.702 47 HB3 ARG 7 3HB ARG 7 11.313 2.206 -7.251 48 HG2 ARG 7 2HG ARG 7 13.512 2.480 -6.373 49 HG3 ARG 7 3HG ARG 7 12.949 2.176 -4.728 50 HD2 ARG 7 2HD ARG 7 13.915 0.153 -5.377 51 HD3 ARG 7 3HD ARG 7 12.187 -0.103 -5.617 52 HE ARG 7 HE ARG 7 13.393 0.842 -7.997 53 HH11 ARG 7 1HH1 ARG 7 13.104 -1.997 -6.004 54 HH12 ARG 7 2HH1 ARG 7 13.347 -3.102 -7.317 55 HH21 ARG 7 1HH2 ARG 7 13.715 -0.602 -9.733 56 HH22 ARG 7 2HH2 ARG 7 13.696 -2.308 -9.437 57 H LYS 8 H LYS 8 9.125 3.536 -7.469 58 HA LYS 8 HA LYS 8 10.102 4.719 -9.748 59 HB2 LYS 8 2HB LYS 8 7.408 4.192 -8.655 60 HB3 LYS 8 3HB LYS 8 7.486 5.413 -9.919 61 HG2 LYS 8 2HG LYS 8 7.359 3.727 -11.359 62 HG3 LYS 8 3HG LYS 8 9.033 3.370 -10.925 63 HD2 LYS 8 2HD LYS 8 8.371 1.737 -9.343 64 HD3 LYS 8 3HD LYS 8 6.686 2.260 -9.401 65 HE2 LYS 8 2HE LYS 8 7.671 1.509 -12.019 66 HE3 LYS 8 3HE LYS 8 7.848 0.196 -10.857 67 HZ1 LYS 8 1HZ LYS 8 5.570 0.145 -10.457 68 HZ2 LYS 8 2HZ LYS 8 5.668 0.364 -12.131 69 HZ3 LYS 8 3HZ LYS 8 5.305 1.676 -11.127 70 H CYS 9 H CYS 9 7.620 6.420 -7.869 71 HA CYS 9 HA CYS 9 8.294 8.959 -8.825 72 HB2 CYS 9 2HB CYS 9 6.726 7.994 -6.452 73 HB3 CYS 9 3HB CYS 9 7.026 9.713 -6.679 74 HG CYS 9 HG CYS 9 4.941 7.667 -8.332 75 HA PRO 10 HA PRO 10 12.050 9.613 -6.518 76 HB2 PRO 10 2HB PRO 10 12.517 12.115 -7.463 77 HB3 PRO 10 3HB PRO 10 12.844 10.656 -8.405 78 HG2 PRO 10 2HG PRO 10 10.493 12.505 -8.531 79 HG3 PRO 10 3HG PRO 10 11.406 11.764 -9.859 80 HD2 PRO 10 2HD PRO 10 9.022 10.799 -9.013 81 HD3 PRO 10 3HD PRO 10 10.299 9.751 -9.663 82 H LEU 11 H LEU 11 9.740 12.323 -6.808 83 HA LEU 11 HA LEU 11 10.338 13.059 -4.032 84 HB2 LEU 11 2HB LEU 11 9.642 15.213 -4.512 85 HB3 LEU 11 3HB LEU 11 10.439 14.708 -6.001 86 HG LEU 11 HG LEU 11 7.823 14.034 -6.475 87 HD11 LEU 11 1HD1 LEU 11 7.399 15.361 -4.283 88 HD12 LEU 11 2HD1 LEU 11 6.368 15.640 -5.685 89 HD13 LEU 11 3HD1 LEU 11 7.660 16.776 -5.302 90 HD21 LEU 11 1HD2 LEU 11 8.911 15.038 -8.216 91 HD22 LEU 11 2HD2 LEU 11 9.596 16.309 -7.204 92 HD23 LEU 11 3HD2 LEU 11 7.899 16.378 -7.679 93 H PHE 12 H PHE 12 7.915 11.672 -6.024 94 HA PHE 12 HA PHE 12 5.852 12.073 -3.978 95 HB2 PHE 12 2HB PHE 12 5.820 11.845 -6.855 96 HB3 PHE 12 3HB PHE 12 4.766 10.632 -6.136 97 HD1 PHE 12 HD1 PHE 12 2.656 11.469 -6.711 98 HD2 PHE 12 HD2 PHE 12 5.492 14.007 -4.805 99 HE1 PHE 12 HE1 PHE 12 0.911 13.174 -6.394 100 HE2 PHE 12 HE2 PHE 12 3.751 15.716 -4.484 101 HZ PHE 12 HZ PHE 12 1.457 15.301 -5.278 102 H GLY 13 H GLY 13 8.245 9.954 -4.571 103 HA2 GLY 13 2HA GLY 13 7.222 7.406 -4.613 104 HA3 GLY 13 3HA GLY 13 8.678 7.854 -3.737 105 H LYS 14 H LYS 14 7.013 9.714 -2.040 106 HA LYS 14 HA LYS 14 5.741 7.661 -0.351 107 HB2 LYS 14 2HB LYS 14 6.441 9.215 1.577 108 HB3 LYS 14 3HB LYS 14 7.682 8.213 0.836 109 HG2 LYS 14 2HG LYS 14 8.681 10.010 -0.230 110 HG3 LYS 14 3HG LYS 14 7.234 11.014 -0.110 111 HD2 LYS 14 2HD LYS 14 7.601 10.876 2.431 112 HD3 LYS 14 3HD LYS 14 9.224 10.312 2.026 113 HE2 LYS 14 2HE LYS 14 8.155 12.805 0.771 114 HE3 LYS 14 3HE LYS 14 8.779 12.853 2.419 115 HZ1 LYS 14 1HZ LYS 14 10.871 11.931 1.591 116 HZ2 LYS 14 2HZ LYS 14 10.505 13.407 0.850 117 HZ3 LYS 14 3HZ LYS 14 10.269 11.957 0.010 118 H ASN 15 H ASN 15 3.697 8.158 -1.242 119 HA ASN 15 HA ASN 15 2.502 10.581 -1.614 120 HB2 ASN 15 2HB ASN 15 0.360 9.480 -1.277 121 HB3 ASN 15 3HB ASN 15 1.453 8.396 -2.131 122 HD21 ASN 15 1HD2 ASN 15 2.151 6.537 -1.150 123 HD22 ASN 15 2HD2 ASN 15 1.493 5.952 0.336 124 H LYS 16 H LYS 16 2.888 8.846 1.437 125 HA LYS 16 HA LYS 16 1.310 10.247 3.153 126 HB2 LYS 16 2HB LYS 16 4.169 9.424 3.696 127 HB3 LYS 16 3HB LYS 16 2.946 9.764 4.914 128 HG2 LYS 16 2HG LYS 16 2.788 7.547 2.882 129 HG3 LYS 16 3HG LYS 16 3.306 7.358 4.560 130 HD2 LYS 16 2HD LYS 16 1.074 8.306 5.239 131 HD3 LYS 16 3HD LYS 16 0.588 8.179 3.547 132 HE2 LYS 16 2HE LYS 16 0.288 5.964 3.688 133 HE3 LYS 16 3HE LYS 16 1.778 5.731 4.602 134 HZ1 LYS 16 1HZ LYS 16 -0.774 5.540 5.573 135 HZ2 LYS 16 2HZ LYS 16 -0.228 7.031 6.157 136 HZ3 LYS 16 3HZ LYS 16 0.644 5.621 6.492 137 H SER 17 H SER 17 4.329 11.315 1.712 138 HA SER 17 HA SER 17 4.966 13.502 3.248 139 HB2 SER 17 2HB SER 17 5.997 12.498 1.000 140 HB3 SER 17 3HB SER 17 5.115 13.850 0.291 141 HG SER 17 HG SER 17 6.243 15.232 1.724 142 H ARG 18 H ARG 18 2.963 13.630 0.294 143 HA ARG 18 HA ARG 18 1.796 16.136 1.281 144 HB2 ARG 18 2HB ARG 18 2.253 14.974 -1.422 145 HB3 ARG 18 3HB ARG 18 0.849 16.012 -1.210 146 HG2 ARG 18 2HG ARG 18 3.586 16.881 -0.352 147 HG3 ARG 18 3HG ARG 18 3.021 17.083 -2.012 148 HD2 ARG 18 2HD ARG 18 1.080 18.349 -1.160 149 HD3 ARG 18 3HD ARG 18 1.726 18.198 0.473 150 HE ARG 18 HE ARG 18 2.563 20.041 -1.539 151 HH11 ARG 18 1HH1 ARG 18 3.646 18.196 1.208 152 HH12 ARG 18 2HH1 ARG 18 4.942 19.281 1.589 153 HH21 ARG 18 1HH2 ARG 18 4.266 21.476 -1.047 154 HH22 ARG 18 2HH2 ARG 18 5.293 21.147 0.307 Start of MODEL 8 1 H1 VAL 1 H VAL 1 1.611 -3.754 -1.703 2 HA VAL 1 HA VAL 1 2.735 -2.633 -3.769 3 HB VAL 1 HB VAL 1 0.919 -1.039 -4.060 4 HG11 VAL 1 1HG1 VAL 1 0.589 -3.568 -4.227 5 HG12 VAL 1 2HG1 VAL 1 -0.265 -3.434 -2.688 6 HG13 VAL 1 3HG1 VAL 1 -0.857 -2.567 -4.106 7 HG21 VAL 1 1HG2 VAL 1 -0.001 0.035 -2.349 8 HG22 VAL 1 2HG2 VAL 1 -0.584 -1.487 -1.674 9 HG23 VAL 1 3HG2 VAL 1 1.017 -0.886 -1.242 10 H ALA 2 H ALA 2 4.389 -2.030 -1.430 11 HA ALA 2 HA ALA 2 4.737 0.868 -1.846 12 HB1 ALA 2 1HB ALA 2 4.999 1.228 0.351 13 HB2 ALA 2 2HB ALA 2 4.166 -0.316 0.535 14 HB3 ALA 2 3HB ALA 2 5.928 -0.253 0.585 15 H ARG 3 H ARG 3 6.339 -2.240 -1.380 16 HA ARG 3 HA ARG 3 8.991 -1.457 -1.454 17 HB2 ARG 3 2HB ARG 3 9.478 -3.713 -2.313 18 HB3 ARG 3 3HB ARG 3 8.321 -3.750 -0.989 19 HG2 ARG 3 2HG ARG 3 6.546 -3.747 -2.882 20 HG3 ARG 3 3HG ARG 3 7.890 -4.283 -3.893 21 HD2 ARG 3 2HD ARG 3 7.473 -5.665 -1.300 22 HD3 ARG 3 3HD ARG 3 6.317 -5.986 -2.591 23 HE ARG 3 HE ARG 3 8.939 -6.223 -3.590 24 HH11 ARG 3 1HH1 ARG 3 6.689 -7.846 -1.488 25 HH12 ARG 3 2HH1 ARG 3 7.358 -9.419 -1.771 26 HH21 ARG 3 1HH2 ARG 3 9.830 -8.288 -3.970 27 HH22 ARG 3 2HH2 ARG 3 9.146 -9.669 -3.182 28 H GLY 4 H GLY 4 6.672 -1.720 -4.062 29 HA2 GLY 4 2HA GLY 4 8.784 -0.937 -5.972 30 HA3 GLY 4 3HA GLY 4 7.318 -1.799 -6.413 31 H TRP 5 H TRP 5 6.976 0.724 -4.114 32 HA TRP 5 HA TRP 5 5.867 2.467 -6.216 33 HB2 TRP 5 2HB TRP 5 4.306 1.370 -4.446 34 HB3 TRP 5 3HB TRP 5 4.973 2.577 -3.351 35 HD1 TRP 5 HD1 TRP 5 2.550 2.172 -6.232 36 HE1 TRP 5 HE1 TRP 5 1.308 4.394 -6.613 37 HE3 TRP 5 HE3 TRP 5 5.305 5.179 -3.150 38 HZ2 TRP 5 HZ2 TRP 5 1.476 7.068 -5.725 39 HZ3 TRP 5 HZ3 TRP 5 4.699 7.557 -2.973 40 HH2 TRP 5 HH2 TRP 5 2.824 8.480 -4.235 41 H GLY 6 H GLY 6 8.039 2.198 -3.559 42 HA2 GLY 6 2HA GLY 6 8.353 5.089 -3.302 43 HA3 GLY 6 3HA GLY 6 9.149 3.864 -2.324 44 H ARG 7 H ARG 7 9.171 3.470 -5.751 45 HA ARG 7 HA ARG 7 11.975 4.376 -5.821 46 HB2 ARG 7 2HB ARG 7 10.684 1.900 -6.893 47 HB3 ARG 7 3HB ARG 7 12.067 2.578 -7.742 48 HG2 ARG 7 2HG ARG 7 12.601 2.427 -4.923 49 HG3 ARG 7 3HG ARG 7 12.093 0.856 -5.547 50 HD2 ARG 7 2HD ARG 7 13.775 1.241 -7.420 51 HD3 ARG 7 3HD ARG 7 14.400 2.565 -6.437 52 HE ARG 7 HE ARG 7 15.425 1.022 -5.107 53 HH11 ARG 7 1HH1 ARG 7 12.892 -0.558 -6.899 54 HH12 ARG 7 2HH1 ARG 7 13.309 -2.145 -6.342 55 HH21 ARG 7 1HH2 ARG 7 15.983 -1.062 -4.366 56 HH22 ARG 7 2HH2 ARG 7 15.067 -2.430 -4.901 57 H LYS 8 H LYS 8 9.108 3.750 -7.832 58 HA LYS 8 HA LYS 8 9.897 4.969 -10.172 59 HB2 LYS 8 2HB LYS 8 7.307 4.406 -8.869 60 HB3 LYS 8 3HB LYS 8 7.272 5.655 -10.106 61 HG2 LYS 8 2HG LYS 8 7.027 3.999 -11.566 62 HG3 LYS 8 3HG LYS 8 8.735 3.648 -11.290 63 HD2 LYS 8 2HD LYS 8 8.115 2.086 -9.502 64 HD3 LYS 8 3HD LYS 8 6.410 2.431 -9.797 65 HE2 LYS 8 2HE LYS 8 7.452 1.765 -12.293 66 HE3 LYS 8 3HE LYS 8 8.194 0.622 -11.175 67 HZ1 LYS 8 1HZ LYS 8 5.487 0.770 -12.095 68 HZ2 LYS 8 2HZ LYS 8 5.584 0.688 -10.408 69 HZ3 LYS 8 3HZ LYS 8 6.305 -0.513 -11.356 70 H CYS 9 H CYS 9 7.582 6.621 -8.050 71 HA CYS 9 HA CYS 9 8.198 9.183 -9.012 72 HB2 CYS 9 2HB CYS 9 6.744 8.163 -6.593 73 HB3 CYS 9 3HB CYS 9 7.052 9.886 -6.775 74 HG CYS 9 HG CYS 9 5.668 10.084 -9.213 75 HA PRO 10 HA PRO 10 12.066 9.796 -6.893 76 HB2 PRO 10 2HB PRO 10 12.465 12.334 -7.772 77 HB3 PRO 10 3HB PRO 10 12.746 10.912 -8.784 78 HG2 PRO 10 2HG PRO 10 10.381 12.747 -8.709 79 HG3 PRO 10 3HG PRO 10 11.221 12.060 -10.112 80 HD2 PRO 10 2HD PRO 10 8.894 11.047 -9.167 81 HD3 PRO 10 3HD PRO 10 10.138 10.033 -9.926 82 H LEU 11 H LEU 11 9.722 12.491 -6.951 83 HA LEU 11 HA LEU 11 10.475 13.135 -4.190 84 HB2 LEU 11 2HB LEU 11 9.749 15.299 -4.552 85 HB3 LEU 11 3HB LEU 11 10.453 14.852 -6.104 86 HG LEU 11 HG LEU 11 7.817 14.182 -6.445 87 HD11 LEU 11 1HD1 LEU 11 7.735 16.865 -5.125 88 HD12 LEU 11 2HD1 LEU 11 7.492 15.393 -4.186 89 HD13 LEU 11 3HD1 LEU 11 6.408 15.774 -5.524 90 HD21 LEU 11 1HD2 LEU 11 9.298 16.725 -7.088 91 HD22 LEU 11 2HD2 LEU 11 7.717 16.315 -7.753 92 HD23 LEU 11 3HD2 LEU 11 9.114 15.296 -8.106 93 H PHE 12 H PHE 12 7.961 11.783 -6.083 94 HA PHE 12 HA PHE 12 6.015 12.096 -3.909 95 HB2 PHE 12 2HB PHE 12 5.812 11.996 -6.785 96 HB3 PHE 12 3HB PHE 12 4.808 10.744 -6.060 97 HD1 PHE 12 HD1 PHE 12 2.662 11.587 -6.463 98 HD2 PHE 12 HD2 PHE 12 5.598 14.066 -4.632 99 HE1 PHE 12 HE1 PHE 12 0.931 13.264 -5.966 100 HE2 PHE 12 HE2 PHE 12 3.872 15.746 -4.131 101 HZ PHE 12 HZ PHE 12 1.535 15.346 -4.798 102 H GLY 13 H GLY 13 8.377 10.022 -4.728 103 HA2 GLY 13 2HA GLY 13 7.364 7.471 -4.826 104 HA3 GLY 13 3HA GLY 13 8.865 7.890 -4.014 105 H LYS 14 H LYS 14 7.288 9.663 -2.147 106 HA LYS 14 HA LYS 14 6.122 7.528 -0.482 107 HB2 LYS 14 2HB LYS 14 6.924 8.997 1.471 108 HB3 LYS 14 3HB LYS 14 8.125 8.038 0.617 109 HG2 LYS 14 2HG LYS 14 8.859 9.974 -0.617 110 HG3 LYS 14 3HG LYS 14 7.581 10.955 0.105 111 HD2 LYS 14 2HD LYS 14 8.570 10.642 2.311 112 HD3 LYS 14 3HD LYS 14 9.827 9.616 1.615 113 HE2 LYS 14 2HE LYS 14 9.781 12.050 0.160 114 HE3 LYS 14 3HE LYS 14 9.776 12.450 1.877 115 HZ1 LYS 14 1HZ LYS 14 11.991 12.222 1.574 116 HZ2 LYS 14 2HZ LYS 14 11.836 11.146 0.279 117 HZ3 LYS 14 3HZ LYS 14 11.644 10.592 1.865 118 H ASN 15 H ASN 15 4.029 8.052 -1.234 119 HA ASN 15 HA ASN 15 2.800 10.473 -1.440 120 HB2 ASN 15 2HB ASN 15 0.689 9.348 -1.002 121 HB3 ASN 15 3HB ASN 15 1.731 8.296 -1.956 122 HD21 ASN 15 1HD2 ASN 15 2.767 6.536 -0.911 123 HD22 ASN 15 2HD2 ASN 15 2.102 5.855 0.531 124 H LYS 16 H LYS 16 3.380 8.642 1.525 125 HA LYS 16 HA LYS 16 1.915 9.965 3.386 126 HB2 LYS 16 2HB LYS 16 3.668 8.089 3.679 127 HB3 LYS 16 3HB LYS 16 4.822 9.397 3.909 128 HG2 LYS 16 2HG LYS 16 4.274 9.363 6.056 129 HG3 LYS 16 3HG LYS 16 2.713 10.043 5.591 130 HD2 LYS 16 2HD LYS 16 1.941 8.199 6.660 131 HD3 LYS 16 3HD LYS 16 2.230 7.456 5.085 132 HE2 LYS 16 2HE LYS 16 4.577 6.943 5.972 133 HE3 LYS 16 3HE LYS 16 3.921 7.327 7.563 134 HZ1 LYS 16 1HZ LYS 16 2.200 5.619 7.155 135 HZ2 LYS 16 2HZ LYS 16 3.767 4.986 7.213 136 HZ3 LYS 16 3HZ LYS 16 2.992 5.192 5.723 137 H SER 17 H SER 17 4.871 11.111 1.849 138 HA SER 17 HA SER 17 5.505 13.286 3.400 139 HB2 SER 17 2HB SER 17 6.430 12.320 1.046 140 HB3 SER 17 3HB SER 17 5.604 13.772 0.480 141 HG SER 17 HG SER 17 7.355 13.882 2.683 142 H ARG 18 H ARG 18 3.334 13.329 0.569 143 HA ARG 18 HA ARG 18 2.049 15.718 1.721 144 HB2 ARG 18 2HB ARG 18 3.236 15.342 -0.843 145 HB3 ARG 18 3HB ARG 18 1.502 15.524 -1.069 146 HG2 ARG 18 2HG ARG 18 2.859 17.448 0.731 147 HG3 ARG 18 3HG ARG 18 3.146 17.596 -1.004 148 HD2 ARG 18 2HD ARG 18 0.350 17.183 -0.495 149 HD3 ARG 18 3HD ARG 18 0.946 18.536 0.466 150 HE ARG 18 HE ARG 18 1.856 18.743 -2.205 151 HH11 ARG 18 1HH1 ARG 18 -0.994 19.125 -0.242 152 HH12 ARG 18 2HH1 ARG 18 -1.714 20.305 -1.286 153 HH21 ARG 18 1HH2 ARG 18 0.919 20.296 -3.587 154 HH22 ARG 18 2HH2 ARG 18 -0.625 20.970 -3.189 Start of MODEL 9 1 H1 VAL 1 H VAL 1 0.777 -0.884 -2.167 2 HA VAL 1 HA VAL 1 2.401 -2.586 -0.569 3 HB VAL 1 HB VAL 1 4.098 -3.116 -2.321 4 HG11 VAL 1 1HG1 VAL 1 3.013 -5.092 -3.090 5 HG12 VAL 1 2HG1 VAL 1 2.376 -4.738 -1.483 6 HG13 VAL 1 3HG1 VAL 1 1.419 -4.357 -2.915 7 HG21 VAL 1 1HG2 VAL 1 3.598 -2.955 -4.629 8 HG22 VAL 1 2HG2 VAL 1 1.918 -2.523 -4.310 9 HG23 VAL 1 3HG2 VAL 1 3.208 -1.382 -3.931 10 H ALA 2 H ALA 2 4.532 -1.720 -0.215 11 HA ALA 2 HA ALA 2 4.785 1.096 -1.053 12 HB1 ALA 2 1HB ALA 2 5.214 1.769 1.053 13 HB2 ALA 2 2HB ALA 2 4.342 0.298 1.487 14 HB3 ALA 2 3HB ALA 2 6.105 0.301 1.455 15 H ARG 3 H ARG 3 6.468 -1.904 -0.292 16 HA ARG 3 HA ARG 3 9.100 -1.103 -0.598 17 HB2 ARG 3 2HB ARG 3 9.510 -3.480 -1.350 18 HB3 ARG 3 3HB ARG 3 8.666 -3.305 0.183 19 HG2 ARG 3 2HG ARG 3 6.659 -4.045 -0.684 20 HG3 ARG 3 3HG ARG 3 7.110 -3.641 -2.342 21 HD2 ARG 3 2HD ARG 3 8.257 -5.578 -2.647 22 HD3 ARG 3 3HD ARG 3 8.762 -5.670 -0.960 23 HE ARG 3 HE ARG 3 6.900 -6.924 -0.506 24 HH11 ARG 3 1HH1 ARG 3 6.519 -5.388 -3.607 25 HH12 ARG 3 2HH1 ARG 3 5.076 -6.260 -4.008 26 HH21 ARG 3 1HH2 ARG 3 5.001 -8.078 -1.021 27 HH22 ARG 3 2HH2 ARG 3 4.213 -7.789 -2.536 28 H GLY 4 H GLY 4 6.636 -1.587 -3.007 29 HA2 GLY 4 2HA GLY 4 8.634 -1.220 -5.143 30 HA3 GLY 4 3HA GLY 4 7.029 -1.902 -5.367 31 H TRP 5 H TRP 5 6.020 0.323 -3.524 32 HA TRP 5 HA TRP 5 5.452 2.179 -5.661 33 HB2 TRP 5 2HB TRP 5 3.852 1.327 -3.780 34 HB3 TRP 5 3HB TRP 5 4.599 2.596 -2.814 35 HD1 TRP 5 HD1 TRP 5 2.126 2.050 -5.630 36 HE1 TRP 5 HE1 TRP 5 1.002 4.290 -6.216 37 HE3 TRP 5 HE3 TRP 5 5.069 5.181 -2.862 38 HZ2 TRP 5 HZ2 TRP 5 1.322 7.023 -5.587 39 HZ3 TRP 5 HZ3 TRP 5 4.594 7.595 -2.909 40 HH2 TRP 5 HH2 TRP 5 2.759 8.495 -4.244 41 H GLY 6 H GLY 6 7.643 1.970 -3.018 42 HA2 GLY 6 2HA GLY 6 8.142 4.844 -2.968 43 HA3 GLY 6 3HA GLY 6 8.887 3.639 -1.928 44 H ARG 7 H ARG 7 8.827 2.926 -5.282 45 HA ARG 7 HA ARG 7 11.654 3.730 -5.505 46 HB2 ARG 7 2HB ARG 7 11.652 1.363 -5.382 47 HB3 ARG 7 3HB ARG 7 10.266 1.231 -6.456 48 HG2 ARG 7 2HG ARG 7 11.526 1.361 -8.312 49 HG3 ARG 7 3HG ARG 7 12.628 2.546 -7.609 50 HD2 ARG 7 2HD ARG 7 12.859 -0.011 -6.289 51 HD3 ARG 7 3HD ARG 7 13.111 -0.168 -8.027 52 HE ARG 7 HE ARG 7 14.841 1.126 -6.136 53 HH11 ARG 7 1HH1 ARG 7 13.858 0.978 -9.472 54 HH12 ARG 7 2HH1 ARG 7 15.349 1.622 -10.076 55 HH21 ARG 7 1HH2 ARG 7 16.809 1.974 -6.918 56 HH22 ARG 7 2HH2 ARG 7 17.027 2.187 -8.622 57 H LYS 8 H LYS 8 8.675 3.069 -7.318 58 HA LYS 8 HA LYS 8 9.428 3.936 -9.824 59 HB2 LYS 8 2HB LYS 8 6.880 3.706 -8.355 60 HB3 LYS 8 3HB LYS 8 6.859 4.826 -9.711 61 HG2 LYS 8 2HG LYS 8 8.014 2.779 -10.935 62 HG3 LYS 8 3HG LYS 8 7.154 1.878 -9.684 63 HD2 LYS 8 2HD LYS 8 5.226 2.121 -10.767 64 HD3 LYS 8 3HD LYS 8 5.430 3.873 -10.823 65 HE2 LYS 8 2HE LYS 8 7.075 3.359 -12.764 66 HE3 LYS 8 3HE LYS 8 6.251 1.802 -12.824 67 HZ1 LYS 8 1HZ LYS 8 5.177 3.245 -14.345 68 HZ2 LYS 8 2HZ LYS 8 5.050 4.487 -13.204 69 HZ3 LYS 8 3HZ LYS 8 4.135 3.076 -13.023 70 H CYS 9 H CYS 9 7.351 5.994 -7.812 71 HA CYS 9 HA CYS 9 8.131 8.371 -9.105 72 HB2 CYS 9 2HB CYS 9 6.620 7.749 -6.592 73 HB3 CYS 9 3HB CYS 9 7.082 9.410 -6.942 74 HG CYS 9 HG CYS 9 5.828 8.847 -9.671 75 HA PRO 10 HA PRO 10 12.062 8.935 -7.095 76 HB2 PRO 10 2HB PRO 10 12.629 11.325 -8.252 77 HB3 PRO 10 3HB PRO 10 12.790 9.784 -9.102 78 HG2 PRO 10 2HG PRO 10 10.566 11.785 -9.212 79 HG3 PRO 10 3HG PRO 10 11.330 10.888 -10.537 80 HD2 PRO 10 2HD PRO 10 8.952 10.159 -9.467 81 HD3 PRO 10 3HD PRO 10 10.107 8.980 -10.119 82 H LEU 11 H LEU 11 9.915 11.770 -7.430 83 HA LEU 11 HA LEU 11 10.746 12.641 -4.752 84 HB2 LEU 11 2HB LEU 11 10.467 14.775 -5.411 85 HB3 LEU 11 3HB LEU 11 10.679 14.072 -7.013 86 HG LEU 11 HG LEU 11 7.999 14.627 -5.745 87 HD11 LEU 11 1HD1 LEU 11 9.236 16.225 -7.956 88 HD12 LEU 11 2HD1 LEU 11 9.510 16.639 -6.264 89 HD13 LEU 11 3HD1 LEU 11 7.871 16.633 -6.916 90 HD21 LEU 11 1HD2 LEU 11 7.045 14.044 -7.778 91 HD22 LEU 11 2HD2 LEU 11 8.316 12.837 -7.581 92 HD23 LEU 11 3HD2 LEU 11 8.565 14.213 -8.656 93 H PHE 12 H PHE 12 8.212 11.126 -6.378 94 HA PHE 12 HA PHE 12 6.279 11.893 -4.295 95 HB2 PHE 12 2HB PHE 12 6.035 11.398 -7.163 96 HB3 PHE 12 3HB PHE 12 4.860 10.492 -6.215 97 HD1 PHE 12 HD1 PHE 12 6.210 13.779 -5.254 98 HD2 PHE 12 HD2 PHE 12 2.921 11.657 -6.927 99 HE1 PHE 12 HE1 PHE 12 4.815 15.797 -5.063 100 HE2 PHE 12 HE2 PHE 12 1.521 13.672 -6.740 101 HZ PHE 12 HZ PHE 12 2.468 15.746 -5.808 102 H GLY 13 H GLY 13 8.459 9.565 -4.920 103 HA2 GLY 13 2HA GLY 13 7.236 7.108 -4.754 104 HA3 GLY 13 3HA GLY 13 8.785 7.478 -4.011 105 H LYS 14 H LYS 14 7.383 9.556 -2.315 106 HA LYS 14 HA LYS 14 6.102 7.697 -0.420 107 HB2 LYS 14 2HB LYS 14 7.052 9.265 1.366 108 HB3 LYS 14 3HB LYS 14 8.180 8.179 0.567 109 HG2 LYS 14 2HG LYS 14 9.053 9.934 -0.772 110 HG3 LYS 14 3HG LYS 14 7.768 11.036 -0.274 111 HD2 LYS 14 2HD LYS 14 9.104 11.750 1.356 112 HD3 LYS 14 3HD LYS 14 8.968 10.154 2.098 113 HE2 LYS 14 2HE LYS 14 10.976 9.429 1.214 114 HE3 LYS 14 3HE LYS 14 10.936 10.599 -0.105 115 HZ1 LYS 14 1HZ LYS 14 12.468 10.877 2.038 116 HZ2 LYS 14 2HZ LYS 14 11.093 11.698 2.582 117 HZ3 LYS 14 3HZ LYS 14 11.867 12.194 1.162 118 H ASN 15 H ASN 15 4.039 8.298 -1.205 119 HA ASN 15 HA ASN 15 3.025 10.823 -1.586 120 HB2 ASN 15 2HB ASN 15 1.978 8.254 -1.487 121 HB3 ASN 15 3HB ASN 15 1.110 9.106 -0.212 122 HD21 ASN 15 1HD2 ASN 15 -0.126 8.134 -2.495 123 HD22 ASN 15 2HD2 ASN 15 -0.690 9.469 -3.436 124 H LYS 16 H LYS 16 3.761 9.214 1.407 125 HA LYS 16 HA LYS 16 2.253 10.505 3.276 126 HB2 LYS 16 2HB LYS 16 4.038 10.140 4.857 127 HB3 LYS 16 3HB LYS 16 3.968 8.771 3.755 128 HG2 LYS 16 2HG LYS 16 5.775 10.227 2.459 129 HG3 LYS 16 3HG LYS 16 6.060 10.836 4.091 130 HD2 LYS 16 2HD LYS 16 5.951 7.896 3.464 131 HD3 LYS 16 3HD LYS 16 7.444 8.831 3.351 132 HE2 LYS 16 2HE LYS 16 7.746 8.516 5.529 133 HE3 LYS 16 3HE LYS 16 6.304 9.484 5.830 134 HZ1 LYS 16 1HZ LYS 16 6.109 7.352 6.900 135 HZ2 LYS 16 2HZ LYS 16 6.390 6.541 5.442 136 HZ3 LYS 16 3HZ LYS 16 4.977 7.448 5.645 137 H SER 17 H SER 17 5.069 11.774 1.572 138 HA SER 17 HA SER 17 5.584 14.071 2.988 139 HB2 SER 17 2HB SER 17 5.552 14.035 -0.028 140 HB3 SER 17 3HB SER 17 6.632 14.928 1.042 141 HG SER 17 HG SER 17 7.832 13.227 0.472 142 H ARG 18 H ARG 18 3.486 13.954 0.102 143 HA ARG 18 HA ARG 18 1.776 15.298 -0.578 144 HB2 ARG 18 2HB ARG 18 0.885 14.089 1.535 145 HB3 ARG 18 3HB ARG 18 1.058 15.655 2.316 146 HG2 ARG 18 2HG ARG 18 -0.330 16.490 0.256 147 HG3 ARG 18 3HG ARG 18 -0.827 14.798 0.183 148 HD2 ARG 18 2HD ARG 18 -2.445 15.815 1.528 149 HD3 ARG 18 3HD ARG 18 -1.354 15.038 2.674 150 HE ARG 18 HE ARG 18 -0.456 17.644 2.311 151 HH11 ARG 18 1HH1 ARG 18 -3.261 16.007 3.565 152 HH12 ARG 18 2HH1 ARG 18 -3.643 17.257 4.702 153 HH21 ARG 18 1HH2 ARG 18 -0.949 19.296 3.804 154 HH22 ARG 18 2HH2 ARG 18 -2.328 19.128 4.836 Start of MODEL 10 1 H1 VAL 1 H VAL 1 2.293 -0.459 1.938 2 HA VAL 1 HA VAL 1 3.867 -2.006 -0.006 3 HB VAL 1 HB VAL 1 1.760 0.074 -0.597 4 HG11 VAL 1 1HG1 VAL 1 3.714 -0.945 -2.227 5 HG12 VAL 1 2HG1 VAL 1 2.334 -1.987 -2.581 6 HG13 VAL 1 3HG1 VAL 1 2.192 -0.239 -2.769 7 HG21 VAL 1 1HG2 VAL 1 0.463 -2.063 -1.291 8 HG22 VAL 1 2HG2 VAL 1 1.562 -2.883 -0.182 9 HG23 VAL 1 3HG2 VAL 1 0.509 -1.598 0.410 10 H ALA 2 H ALA 2 5.855 -1.034 0.707 11 HA ALA 2 HA ALA 2 6.189 1.730 -0.264 12 HB1 ALA 2 1HB ALA 2 8.249 0.936 1.591 13 HB2 ALA 2 2HB ALA 2 7.160 2.323 1.645 14 HB3 ALA 2 3HB ALA 2 6.648 0.774 2.314 15 H ARG 3 H ARG 3 7.592 -1.488 -0.005 16 HA ARG 3 HA ARG 3 10.065 -1.099 -1.160 17 HB2 ARG 3 2HB ARG 3 9.790 -3.472 -2.026 18 HB3 ARG 3 3HB ARG 3 9.579 -3.245 -0.295 19 HG2 ARG 3 2HG ARG 3 7.329 -3.665 -0.371 20 HG3 ARG 3 3HG ARG 3 7.181 -3.153 -2.054 21 HD2 ARG 3 2HD ARG 3 8.937 -5.375 -1.979 22 HD3 ARG 3 3HD ARG 3 7.523 -5.779 -1.007 23 HE ARG 3 HE ARG 3 6.710 -4.632 -3.451 24 HH11 ARG 3 1HH1 ARG 3 8.087 -7.550 -2.144 25 HH12 ARG 3 2HH1 ARG 3 7.439 -8.568 -3.388 26 HH21 ARG 3 1HH2 ARG 3 5.852 -5.961 -5.094 27 HH22 ARG 3 2HH2 ARG 3 6.169 -7.663 -5.066 28 H GLY 4 H GLY 4 6.918 -1.114 -2.664 29 HA2 GLY 4 2HA GLY 4 8.222 -0.737 -5.290 30 HA3 GLY 4 3HA GLY 4 6.641 -1.477 -5.085 31 H TRP 5 H TRP 5 7.106 1.107 -2.970 32 HA TRP 5 HA TRP 5 5.679 2.923 -4.801 33 HB2 TRP 5 2HB TRP 5 4.587 1.840 -2.574 34 HB3 TRP 5 3HB TRP 5 5.305 3.296 -1.889 35 HD1 TRP 5 HD1 TRP 5 2.567 2.157 -4.303 36 HE1 TRP 5 HE1 TRP 5 0.988 4.139 -4.752 37 HE3 TRP 5 HE3 TRP 5 5.211 5.849 -1.955 38 HZ2 TRP 5 HZ2 TRP 5 0.878 6.903 -4.187 39 HZ3 TRP 5 HZ3 TRP 5 4.300 8.135 -1.955 40 HH2 TRP 5 HH2 TRP 5 2.179 8.649 -3.049 41 H GLY 6 H GLY 6 8.466 2.430 -3.019 42 HA2 GLY 6 2HA GLY 6 8.977 5.333 -2.833 43 HA3 GLY 6 3HA GLY 6 9.731 4.131 -1.797 44 H ARG 7 H ARG 7 9.373 3.348 -5.129 45 HA ARG 7 HA ARG 7 12.228 3.938 -5.566 46 HB2 ARG 7 2HB ARG 7 12.108 1.590 -5.410 47 HB3 ARG 7 3HB ARG 7 10.602 1.521 -6.315 48 HG2 ARG 7 2HG ARG 7 12.473 0.697 -7.633 49 HG3 ARG 7 3HG ARG 7 11.778 2.152 -8.350 50 HD2 ARG 7 2HD ARG 7 13.663 3.333 -8.066 51 HD3 ARG 7 3HD ARG 7 13.939 2.678 -6.452 52 HE ARG 7 HE ARG 7 14.498 0.653 -8.270 53 HH11 ARG 7 1HH1 ARG 7 15.715 3.806 -7.433 54 HH12 ARG 7 2HH1 ARG 7 17.341 3.449 -7.913 55 HH21 ARG 7 1HH2 ARG 7 16.635 0.171 -8.905 56 HH22 ARG 7 2HH2 ARG 7 17.864 1.381 -8.750 57 H LYS 8 H LYS 8 9.204 3.224 -7.317 58 HA LYS 8 HA LYS 8 9.901 4.171 -9.807 59 HB2 LYS 8 2HB LYS 8 7.384 3.755 -8.344 60 HB3 LYS 8 3HB LYS 8 7.280 4.935 -9.644 61 HG2 LYS 8 2HG LYS 8 8.510 3.048 -11.005 62 HG3 LYS 8 3HG LYS 8 7.795 2.011 -9.768 63 HD2 LYS 8 2HD LYS 8 5.581 3.001 -10.292 64 HD3 LYS 8 3HD LYS 8 6.335 3.913 -11.602 65 HE2 LYS 8 2HE LYS 8 6.792 1.979 -12.836 66 HE3 LYS 8 3HE LYS 8 6.575 0.927 -11.438 67 HZ1 LYS 8 1HZ LYS 8 4.212 1.433 -11.470 68 HZ2 LYS 8 2HZ LYS 8 4.702 0.776 -12.949 69 HZ3 LYS 8 3HZ LYS 8 4.420 2.439 -12.814 70 H CYS 9 H CYS 9 7.698 6.094 -7.802 71 HA CYS 9 HA CYS 9 8.836 8.522 -8.933 72 HB2 CYS 9 2HB CYS 9 6.337 7.860 -7.421 73 HB3 CYS 9 3HB CYS 9 6.901 9.526 -7.466 74 HG CYS 9 HG CYS 9 4.811 8.744 -9.402 75 HA PRO 10 HA PRO 10 11.398 9.083 -5.341 76 HB2 PRO 10 2HB PRO 10 12.391 11.501 -6.074 77 HB3 PRO 10 3HB PRO 10 12.947 9.980 -6.781 78 HG2 PRO 10 2HG PRO 10 10.985 11.966 -7.862 79 HG3 PRO 10 3HG PRO 10 12.285 11.104 -8.706 80 HD2 PRO 10 2HD PRO 10 9.693 10.334 -8.851 81 HD3 PRO 10 3HD PRO 10 11.038 9.178 -8.923 82 H LEU 11 H LEU 11 9.529 11.861 -6.579 83 HA LEU 11 HA LEU 11 9.340 13.066 -3.982 84 HB2 LEU 11 2HB LEU 11 8.368 13.685 -6.716 85 HB3 LEU 11 3HB LEU 11 7.510 14.417 -5.362 86 HG LEU 11 HG LEU 11 9.936 15.149 -4.646 87 HD11 LEU 11 1HD1 LEU 11 11.471 15.463 -6.381 88 HD12 LEU 11 2HD1 LEU 11 10.272 15.125 -7.627 89 HD13 LEU 11 3HD1 LEU 11 10.880 13.818 -6.612 90 HD21 LEU 11 1HD2 LEU 11 9.319 16.943 -6.746 91 HD22 LEU 11 2HD2 LEU 11 8.961 17.104 -5.026 92 HD23 LEU 11 3HD2 LEU 11 7.795 16.332 -6.102 93 H PHE 12 H PHE 12 6.453 12.938 -5.894 94 HA PHE 12 HA PHE 12 4.686 12.440 -3.886 95 HB2 PHE 12 2HB PHE 12 4.510 11.534 -6.765 96 HB3 PHE 12 3HB PHE 12 3.154 11.515 -5.642 97 HD1 PHE 12 HD1 PHE 12 3.903 13.113 -8.353 98 HD2 PHE 12 HD2 PHE 12 3.573 14.066 -4.217 99 HE1 PHE 12 HE1 PHE 12 3.395 15.449 -8.935 100 HE2 PHE 12 HE2 PHE 12 3.063 16.403 -4.793 101 HZ PHE 12 HZ PHE 12 2.973 17.097 -7.154 102 H GLY 13 H GLY 13 6.571 10.073 -5.682 103 HA2 GLY 13 2HA GLY 13 5.246 7.805 -4.508 104 HA3 GLY 13 3HA GLY 13 6.704 7.771 -5.488 105 H LYS 14 H LYS 14 5.844 9.237 -2.353 106 HA LYS 14 HA LYS 14 8.316 8.086 -1.251 107 HB2 LYS 14 2HB LYS 14 7.812 10.634 -1.233 108 HB3 LYS 14 3HB LYS 14 6.709 10.246 0.080 109 HG2 LYS 14 2HG LYS 14 8.378 9.818 1.544 110 HG3 LYS 14 3HG LYS 14 9.457 9.182 0.300 111 HD2 LYS 14 2HD LYS 14 8.808 12.065 0.150 112 HD3 LYS 14 3HD LYS 14 9.832 11.553 1.493 113 HE2 LYS 14 2HE LYS 14 11.061 10.239 -0.466 114 HE3 LYS 14 3HE LYS 14 10.367 11.545 -1.427 115 HZ1 LYS 14 1HZ LYS 14 11.713 12.323 1.033 116 HZ2 LYS 14 2HZ LYS 14 11.707 13.074 -0.483 117 HZ3 LYS 14 3HZ LYS 14 12.706 11.737 -0.206 118 H ASN 15 H ASN 15 5.140 9.051 0.061 119 HA ASN 15 HA ASN 15 5.065 6.475 1.492 120 HB2 ASN 15 2HB ASN 15 3.535 8.008 3.085 121 HB3 ASN 15 3HB ASN 15 5.272 7.831 3.313 122 HD21 ASN 15 1HD2 ASN 15 5.873 9.755 4.060 123 HD22 ASN 15 2HD2 ASN 15 5.588 11.264 3.268 124 H LYS 16 H LYS 16 2.671 9.072 1.237 125 HA LYS 16 HA LYS 16 0.872 7.176 -0.126 126 HB2 LYS 16 2HB LYS 16 0.204 9.254 1.964 127 HB3 LYS 16 3HB LYS 16 -0.999 8.368 1.036 128 HG2 LYS 16 2HG LYS 16 0.991 6.699 2.406 129 HG3 LYS 16 3HG LYS 16 -0.080 7.622 3.464 130 HD2 LYS 16 2HD LYS 16 -1.922 6.695 1.805 131 HD3 LYS 16 3HD LYS 16 -0.713 5.435 1.548 132 HE2 LYS 16 2HE LYS 16 -0.765 4.773 3.795 133 HE3 LYS 16 3HE LYS 16 -1.555 6.263 4.307 134 HZ1 LYS 16 1HZ LYS 16 -2.819 3.933 3.871 135 HZ2 LYS 16 2HZ LYS 16 -3.060 4.716 2.392 136 HZ3 LYS 16 3HZ LYS 16 -3.567 5.450 3.829 137 H SER 17 H SER 17 1.505 10.633 0.432 138 HA SER 17 HA SER 17 0.374 11.184 -2.231 139 HB2 SER 17 2HB SER 17 0.464 13.634 -1.121 140 HB3 SER 17 3HB SER 17 -0.917 12.553 -0.935 141 HG SER 17 HG SER 17 -0.437 12.283 1.106 142 H ARG 18 H ARG 18 2.568 13.028 -0.132 143 HA ARG 18 HA ARG 18 4.157 13.895 -2.320 144 HB2 ARG 18 2HB ARG 18 4.125 14.265 0.599 145 HB3 ARG 18 3HB ARG 18 5.724 14.354 -0.129 146 HG2 ARG 18 2HG ARG 18 5.227 16.246 -1.325 147 HG3 ARG 18 3HG ARG 18 3.496 15.906 -1.348 148 HD2 ARG 18 2HD ARG 18 4.503 16.269 1.347 149 HD3 ARG 18 3HD ARG 18 4.818 17.674 0.329 150 HE ARG 18 HE ARG 18 2.125 16.709 0.126 151 HH11 ARG 18 1HH1 ARG 18 4.300 18.719 1.956 152 HH12 ARG 18 2HH1 ARG 18 3.043 19.732 2.584 153 HH21 ARG 18 1HH2 ARG 18 0.461 18.036 0.946 154 HH22 ARG 18 2HH2 ARG 18 0.860 19.343 2.010 Start of MODEL 11 1 H1 VAL 1 H VAL 1 2.043 -1.910 0.058 2 HA VAL 1 HA VAL 1 3.085 -2.001 -2.046 3 HB VAL 1 HB VAL 1 1.094 0.094 -2.924 4 HG11 VAL 1 1HG1 VAL 1 1.878 -0.421 -5.175 5 HG12 VAL 1 2HG1 VAL 1 3.206 0.144 -4.160 6 HG13 VAL 1 3HG1 VAL 1 3.038 -1.575 -4.517 7 HG21 VAL 1 1HG2 VAL 1 -0.050 -1.985 -2.445 8 HG22 VAL 1 2HG2 VAL 1 0.037 -1.743 -4.190 9 HG23 VAL 1 3HG2 VAL 1 1.126 -2.885 -3.402 10 H ALA 2 H ALA 2 4.817 -1.157 -0.836 11 HA ALA 2 HA ALA 2 5.200 1.752 -1.131 12 HB1 ALA 2 1HB ALA 2 6.847 0.524 0.922 13 HB2 ALA 2 2HB ALA 2 5.804 1.945 1.006 14 HB3 ALA 2 3HB ALA 2 5.121 0.335 1.235 15 H ARG 3 H ARG 3 6.715 -1.431 -1.207 16 HA ARG 3 HA ARG 3 9.336 -0.752 -1.741 17 HB2 ARG 3 2HB ARG 3 7.795 -3.044 -2.972 18 HB3 ARG 3 3HB ARG 3 9.544 -2.929 -2.828 19 HG2 ARG 3 2HG ARG 3 9.537 -3.589 -0.689 20 HG3 ARG 3 3HG ARG 3 8.098 -2.646 -0.297 21 HD2 ARG 3 2HD ARG 3 7.399 -4.856 -0.043 22 HD3 ARG 3 3HD ARG 3 6.818 -4.413 -1.648 23 HE ARG 3 HE ARG 3 9.338 -5.553 -1.954 24 HH11 ARG 3 1HH1 ARG 3 6.160 -6.487 -0.882 25 HH12 ARG 3 2HH1 ARG 3 6.343 -8.142 -1.360 26 HH21 ARG 3 1HH2 ARG 3 9.590 -7.729 -2.588 27 HH22 ARG 3 2HH2 ARG 3 8.294 -8.848 -2.330 28 H GLY 4 H GLY 4 6.549 -0.603 -3.836 29 HA2 GLY 4 2HA GLY 4 8.305 0.282 -6.042 30 HA3 GLY 4 3HA GLY 4 6.754 -0.508 -6.281 31 H TRP 5 H TRP 5 6.662 1.651 -3.699 32 HA TRP 5 HA TRP 5 5.516 3.744 -5.430 33 HB2 TRP 5 2HB TRP 5 4.049 2.281 -3.738 34 HB3 TRP 5 3HB TRP 5 4.612 3.507 -2.605 35 HD1 TRP 5 HD1 TRP 5 2.294 3.020 -5.580 36 HE1 TRP 5 HE1 TRP 5 0.841 5.126 -5.862 37 HE3 TRP 5 HE3 TRP 5 4.630 6.074 -2.211 38 HZ2 TRP 5 HZ2 TRP 5 0.705 7.737 -4.797 39 HZ3 TRP 5 HZ3 TRP 5 3.777 8.361 -1.903 40 HH2 TRP 5 HH2 TRP 5 1.855 9.173 -3.171 41 H GLY 6 H GLY 6 7.918 2.983 -3.206 42 HA2 GLY 6 2HA GLY 6 8.263 5.827 -2.484 43 HA3 GLY 6 3HA GLY 6 8.830 4.485 -1.501 44 H ARG 7 H ARG 7 9.368 3.660 -4.648 45 HA ARG 7 HA ARG 7 12.090 4.789 -4.599 46 HB2 ARG 7 2HB ARG 7 12.334 2.476 -4.150 47 HB3 ARG 7 3HB ARG 7 11.146 2.035 -5.369 48 HG2 ARG 7 2HG ARG 7 12.631 2.183 -7.072 49 HG3 ARG 7 3HG ARG 7 13.550 3.480 -6.304 50 HD2 ARG 7 2HD ARG 7 15.042 2.008 -5.572 51 HD3 ARG 7 3HD ARG 7 13.778 1.144 -4.698 52 HE ARG 7 HE ARG 7 13.816 0.487 -7.476 53 HH11 ARG 7 1HH1 ARG 7 15.337 -0.159 -4.412 54 HH12 ARG 7 2HH1 ARG 7 15.865 -1.747 -4.862 55 HH21 ARG 7 1HH2 ARG 7 14.506 -1.602 -8.080 56 HH22 ARG 7 2HH2 ARG 7 15.393 -2.566 -6.949 57 H LYS 8 H LYS 8 9.305 3.899 -6.523 58 HA LYS 8 HA LYS 8 10.241 4.256 -9.092 59 HB2 LYS 8 2HB LYS 8 7.623 4.460 -7.757 60 HB3 LYS 8 3HB LYS 8 7.749 5.354 -9.266 61 HG2 LYS 8 2HG LYS 8 8.452 3.312 -10.415 62 HG3 LYS 8 3HG LYS 8 8.312 2.417 -8.899 63 HD2 LYS 8 2HD LYS 8 6.240 1.962 -9.672 64 HD3 LYS 8 3HD LYS 8 5.869 3.556 -9.012 65 HE2 LYS 8 2HE LYS 8 5.457 4.389 -11.038 66 HE3 LYS 8 3HE LYS 8 6.958 3.731 -11.688 67 HZ1 LYS 8 1HZ LYS 8 4.323 2.813 -12.071 68 HZ2 LYS 8 2HZ LYS 8 5.224 1.594 -11.323 69 HZ3 LYS 8 3HZ LYS 8 5.751 2.258 -12.787 70 H CYS 9 H CYS 9 8.245 6.785 -7.606 71 HA CYS 9 HA CYS 9 10.112 8.782 -8.706 72 HB2 CYS 9 2HB CYS 9 7.273 8.436 -9.127 73 HB3 CYS 9 3HB CYS 9 7.606 10.013 -8.421 74 HG CYS 9 HG CYS 9 9.558 9.132 -11.020 75 HA PRO 10 HA PRO 10 10.484 9.979 -4.441 76 HB2 PRO 10 2HB PRO 10 12.095 12.120 -4.879 77 HB3 PRO 10 3HB PRO 10 12.678 10.453 -4.932 78 HG2 PRO 10 2HG PRO 10 11.919 12.266 -7.189 79 HG3 PRO 10 3HG PRO 10 13.305 11.169 -7.053 80 HD2 PRO 10 2HD PRO 10 11.079 10.536 -8.458 81 HD3 PRO 10 3HD PRO 10 12.055 9.316 -7.614 82 H LEU 11 H LEU 11 9.708 12.292 -7.012 83 HA LEU 11 HA LEU 11 8.959 14.528 -5.726 84 HB2 LEU 11 2HB LEU 11 8.430 13.426 -8.202 85 HB3 LEU 11 3HB LEU 11 6.827 13.693 -7.521 86 HG LEU 11 HG LEU 11 8.446 16.034 -7.147 87 HD11 LEU 11 1HD1 LEU 11 8.692 16.650 -9.522 88 HD12 LEU 11 2HD1 LEU 11 8.249 15.004 -9.973 89 HD13 LEU 11 3HD1 LEU 11 9.726 15.299 -9.056 90 HD21 LEU 11 1HD2 LEU 11 5.945 15.415 -8.710 91 HD22 LEU 11 2HD2 LEU 11 6.590 17.040 -8.476 92 HD23 LEU 11 3HD2 LEU 11 6.056 16.095 -7.086 93 H PHE 12 H PHE 12 6.336 12.277 -6.518 94 HA PHE 12 HA PHE 12 5.112 12.929 -3.925 95 HB2 PHE 12 2HB PHE 12 4.022 12.400 -6.636 96 HB3 PHE 12 3HB PHE 12 3.077 11.809 -5.274 97 HD1 PHE 12 HD1 PHE 12 5.141 14.838 -5.105 98 HD2 PHE 12 HD2 PHE 12 1.219 13.269 -5.630 99 HE1 PHE 12 HE1 PHE 12 4.202 17.089 -4.786 100 HE2 PHE 12 HE2 PHE 12 0.274 15.518 -5.312 101 HZ PHE 12 HZ PHE 12 1.765 17.432 -4.890 102 H GLY 13 H GLY 13 6.249 10.339 -5.947 103 HA2 GLY 13 2HA GLY 13 5.000 8.230 -4.451 104 HA3 GLY 13 3HA GLY 13 6.258 8.045 -5.664 105 H LYS 14 H LYS 14 5.987 9.556 -2.443 106 HA LYS 14 HA LYS 14 8.630 8.479 -1.788 107 HB2 LYS 14 2HB LYS 14 7.272 10.915 -1.193 108 HB3 LYS 14 3HB LYS 14 7.583 10.080 0.324 109 HG2 LYS 14 2HG LYS 14 9.830 10.219 -1.587 110 HG3 LYS 14 3HG LYS 14 9.334 11.735 -0.830 111 HD2 LYS 14 2HD LYS 14 10.239 11.152 1.126 112 HD3 LYS 14 3HD LYS 14 9.474 9.562 1.086 113 HE2 LYS 14 2HE LYS 14 11.741 9.057 1.064 114 HE3 LYS 14 3HE LYS 14 11.299 8.977 -0.640 115 HZ1 LYS 14 1HZ LYS 14 12.597 11.281 0.711 116 HZ2 LYS 14 2HZ LYS 14 12.154 11.226 -0.920 117 HZ3 LYS 14 3HZ LYS 14 13.356 10.189 -0.335 118 H ASN 15 H ASN 15 5.675 9.045 0.124 119 HA ASN 15 HA ASN 15 6.010 6.344 1.255 120 HB2 ASN 15 2HB ASN 15 5.435 8.962 2.579 121 HB3 ASN 15 3HB ASN 15 4.743 7.496 3.268 122 HD21 ASN 15 1HD2 ASN 15 6.284 5.722 3.698 123 HD22 ASN 15 2HD2 ASN 15 7.861 6.141 4.266 124 H LYS 16 H LYS 16 3.454 8.785 1.580 125 HA LYS 16 HA LYS 16 1.566 6.837 0.427 126 HB2 LYS 16 2HB LYS 16 1.103 8.815 2.666 127 HB3 LYS 16 3HB LYS 16 -0.156 7.837 1.923 128 HG2 LYS 16 2HG LYS 16 1.776 5.994 2.641 129 HG3 LYS 16 3HG LYS 16 1.761 7.146 3.978 130 HD2 LYS 16 2HD LYS 16 -0.889 6.827 3.592 131 HD3 LYS 16 3HD LYS 16 -0.308 5.239 3.086 132 HE2 LYS 16 2HE LYS 16 1.038 5.266 5.276 133 HE3 LYS 16 3HE LYS 16 -0.027 6.589 5.752 134 HZ1 LYS 16 1HZ LYS 16 -1.392 4.997 6.454 135 HZ2 LYS 16 2HZ LYS 16 -0.558 3.776 5.633 136 HZ3 LYS 16 3HZ LYS 16 -1.733 4.686 4.826 137 H SER 17 H SER 17 2.238 10.282 0.934 138 HA SER 17 HA SER 17 0.671 10.854 -1.496 139 HB2 SER 17 2HB SER 17 0.408 13.184 -0.456 140 HB3 SER 17 3HB SER 17 -0.524 11.876 0.272 141 HG SER 17 HG SER 17 0.678 13.312 1.745 142 H ARG 18 H ARG 18 3.225 12.302 0.534 143 HA ARG 18 HA ARG 18 4.783 12.795 -1.904 144 HB2 ARG 18 2HB ARG 18 3.885 14.803 0.123 145 HB3 ARG 18 3HB ARG 18 5.449 15.015 -0.653 146 HG2 ARG 18 2HG ARG 18 4.505 15.814 -2.491 147 HG3 ARG 18 3HG ARG 18 3.419 14.428 -2.606 148 HD2 ARG 18 2HD ARG 18 2.130 16.464 -2.422 149 HD3 ARG 18 3HD ARG 18 1.926 15.494 -0.964 150 HE ARG 18 HE ARG 18 4.002 17.476 -0.767 151 HH11 ARG 18 1HH1 ARG 18 0.602 16.830 -0.385 152 HH12 ARG 18 2HH1 ARG 18 0.351 18.120 0.743 153 HH21 ARG 18 1HH2 ARG 18 3.683 19.178 0.718 154 HH22 ARG 18 2HH2 ARG 18 2.104 19.456 1.369 Start of MODEL 12 1 H1 VAL 1 H VAL 1 -0.270 -0.894 -2.761 2 HA VAL 1 HA VAL 1 1.302 -1.860 -1.412 3 HB VAL 1 HB VAL 1 3.315 -2.916 -2.410 4 HG11 VAL 1 1HG1 VAL 1 0.881 -3.738 -3.965 5 HG12 VAL 1 2HG1 VAL 1 2.174 -4.751 -3.321 6 HG13 VAL 1 3HG1 VAL 1 1.011 -4.003 -2.227 7 HG21 VAL 1 1HG2 VAL 1 3.776 -1.505 -4.264 8 HG22 VAL 1 2HG2 VAL 1 3.353 -3.085 -4.923 9 HG23 VAL 1 3HG2 VAL 1 2.175 -1.773 -4.952 10 H ALA 2 H ALA 2 3.819 -1.614 -0.937 11 HA ALA 2 HA ALA 2 4.476 1.232 -1.343 12 HB1 ALA 2 1HB ALA 2 4.790 1.513 0.846 13 HB2 ALA 2 2HB ALA 2 3.943 -0.020 1.052 14 HB3 ALA 2 3HB ALA 2 5.705 0.012 0.992 15 H ARG 3 H ARG 3 5.626 -2.057 -1.321 16 HA ARG 3 HA ARG 3 8.399 -1.492 -1.486 17 HB2 ARG 3 2HB ARG 3 7.775 -3.684 -0.821 18 HB3 ARG 3 3HB ARG 3 6.745 -3.898 -2.230 19 HG2 ARG 3 2HG ARG 3 8.835 -5.178 -2.375 20 HG3 ARG 3 3HG ARG 3 8.673 -3.997 -3.676 21 HD2 ARG 3 2HD ARG 3 10.581 -3.025 -3.087 22 HD3 ARG 3 3HD ARG 3 9.989 -2.785 -1.444 23 HE ARG 3 HE ARG 3 10.922 -5.455 -1.970 24 HH11 ARG 3 1HH1 ARG 3 11.821 -2.242 -0.975 25 HH12 ARG 3 2HH1 ARG 3 13.235 -2.762 -0.120 26 HH21 ARG 3 1HH2 ARG 3 12.781 -6.152 -0.847 27 HH22 ARG 3 2HH2 ARG 3 13.780 -4.986 -0.048 28 H GLY 4 H GLY 4 5.820 -1.517 -3.808 29 HA2 GLY 4 2HA GLY 4 7.777 -1.222 -5.996 30 HA3 GLY 4 3HA GLY 4 6.114 -1.751 -6.204 31 H TRP 5 H TRP 5 5.380 0.439 -4.180 32 HA TRP 5 HA TRP 5 5.034 2.510 -6.199 33 HB2 TRP 5 2HB TRP 5 3.203 1.581 -4.595 34 HB3 TRP 5 3HB TRP 5 3.933 2.659 -3.409 35 HD1 TRP 5 HD1 TRP 5 1.727 2.659 -6.489 36 HE1 TRP 5 HE1 TRP 5 0.821 5.036 -6.881 37 HE3 TRP 5 HE3 TRP 5 4.576 5.184 -3.077 38 HZ2 TRP 5 HZ2 TRP 5 1.257 7.638 -5.876 39 HZ3 TRP 5 HZ3 TRP 5 4.270 7.616 -2.855 40 HH2 TRP 5 HH2 TRP 5 2.645 8.815 -4.226 41 H GLY 6 H GLY 6 6.940 1.857 -3.411 42 HA2 GLY 6 2HA GLY 6 7.611 4.667 -2.997 43 HA3 GLY 6 3HA GLY 6 8.161 3.311 -2.024 44 H ARG 7 H ARG 7 8.394 3.040 -5.454 45 HA ARG 7 HA ARG 7 11.289 3.564 -5.284 46 HB2 ARG 7 2HB ARG 7 9.771 1.322 -6.555 47 HB3 ARG 7 3HB ARG 7 11.293 1.837 -7.271 48 HG2 ARG 7 2HG ARG 7 11.561 1.510 -4.422 49 HG3 ARG 7 3HG ARG 7 10.934 0.043 -5.176 50 HD2 ARG 7 2HD ARG 7 13.351 1.526 -6.187 51 HD3 ARG 7 3HD ARG 7 13.442 0.203 -5.025 52 HE ARG 7 HE ARG 7 11.970 -0.649 -7.255 53 HH11 ARG 7 1HH1 ARG 7 15.222 0.230 -6.376 54 HH12 ARG 7 2HH1 ARG 7 15.959 -0.790 -7.567 55 HH21 ARG 7 1HH2 ARG 7 12.929 -1.996 -8.827 56 HH22 ARG 7 2HH2 ARG 7 14.653 -2.055 -8.961 57 H LYS 8 H LYS 8 8.525 3.399 -7.517 58 HA LYS 8 HA LYS 8 9.640 4.578 -9.742 59 HB2 LYS 8 2HB LYS 8 6.911 4.320 -8.648 60 HB3 LYS 8 3HB LYS 8 7.129 5.618 -9.814 61 HG2 LYS 8 2HG LYS 8 8.378 3.570 -11.077 62 HG3 LYS 8 3HG LYS 8 7.106 2.714 -10.203 63 HD2 LYS 8 2HD LYS 8 5.463 4.335 -11.155 64 HD3 LYS 8 3HD LYS 8 6.768 5.002 -12.139 65 HE2 LYS 8 2HE LYS 8 7.113 2.733 -13.102 66 HE3 LYS 8 3HE LYS 8 5.694 2.185 -12.211 67 HZ1 LYS 8 1HZ LYS 8 4.463 4.017 -13.404 68 HZ2 LYS 8 2HZ LYS 8 4.945 2.704 -14.356 69 HZ3 LYS 8 3HZ LYS 8 5.812 4.155 -14.417 70 H CYS 9 H CYS 9 7.415 6.462 -7.719 71 HA CYS 9 HA CYS 9 8.455 8.944 -8.521 72 HB2 CYS 9 2HB CYS 9 6.666 8.059 -6.281 73 HB3 CYS 9 3HB CYS 9 7.227 9.725 -6.353 74 HG CYS 9 HG CYS 9 6.074 8.885 -9.304 75 HA PRO 10 HA PRO 10 12.171 8.943 -6.069 76 HB2 PRO 10 2HB PRO 10 12.983 11.430 -6.794 77 HB3 PRO 10 3HB PRO 10 13.156 10.019 -7.844 78 HG2 PRO 10 2HG PRO 10 11.064 12.160 -7.877 79 HG3 PRO 10 3HG PRO 10 11.921 11.413 -9.237 80 HD2 PRO 10 2HD PRO 10 9.406 10.700 -8.532 81 HD3 PRO 10 3HD PRO 10 10.562 9.551 -9.233 82 H LEU 11 H LEU 11 10.225 11.936 -6.191 83 HA LEU 11 HA LEU 11 10.816 12.373 -3.351 84 HB2 LEU 11 2HB LEU 11 10.423 14.628 -3.670 85 HB3 LEU 11 3HB LEU 11 11.193 14.142 -5.179 86 HG LEU 11 HG LEU 11 8.524 13.857 -5.754 87 HD11 LEU 11 1HD1 LEU 11 8.103 14.994 -3.520 88 HD12 LEU 11 2HD1 LEU 11 7.317 15.694 -4.934 89 HD13 LEU 11 3HD1 LEU 11 8.761 16.452 -4.263 90 HD21 LEU 11 1HD2 LEU 11 8.896 15.522 -7.302 91 HD22 LEU 11 2HD2 LEU 11 10.543 15.010 -6.934 92 HD23 LEU 11 3HD2 LEU 11 9.890 16.475 -6.199 93 H PHE 12 H PHE 12 8.316 11.450 -5.502 94 HA PHE 12 HA PHE 12 6.251 11.949 -3.477 95 HB2 PHE 12 2HB PHE 12 6.283 11.985 -6.365 96 HB3 PHE 12 3HB PHE 12 5.052 10.872 -5.778 97 HD1 PHE 12 HD1 PHE 12 6.187 13.981 -4.127 98 HD2 PHE 12 HD2 PHE 12 3.096 12.044 -6.319 99 HE1 PHE 12 HE1 PHE 12 4.687 15.881 -3.684 100 HE2 PHE 12 HE2 PHE 12 1.591 13.941 -5.880 101 HZ PHE 12 HZ PHE 12 2.387 15.863 -4.562 102 H GLY 13 H GLY 13 8.372 9.604 -4.191 103 HA2 GLY 13 2HA GLY 13 7.023 7.224 -4.505 104 HA3 GLY 13 3HA GLY 13 8.501 7.394 -3.571 105 H LYS 14 H LYS 14 6.987 9.318 -1.763 106 HA LYS 14 HA LYS 14 5.474 7.282 -0.261 107 HB2 LYS 14 2HB LYS 14 6.252 8.621 1.791 108 HB3 LYS 14 3HB LYS 14 7.423 7.570 1.005 109 HG2 LYS 14 2HG LYS 14 7.395 10.301 -0.035 110 HG3 LYS 14 3HG LYS 14 7.840 10.178 1.669 111 HD2 LYS 14 2HD LYS 14 9.361 8.215 0.762 112 HD3 LYS 14 3HD LYS 14 9.227 9.123 -0.745 113 HE2 LYS 14 2HE LYS 14 9.892 11.164 0.662 114 HE3 LYS 14 3HE LYS 14 10.393 9.993 1.881 115 HZ1 LYS 14 1HZ LYS 14 11.379 9.430 -0.768 116 HZ2 LYS 14 2HZ LYS 14 12.198 9.441 0.711 117 HZ3 LYS 14 3HZ LYS 14 11.948 10.889 -0.127 118 H ASN 15 H ASN 15 3.503 8.012 -1.132 119 HA ASN 15 HA ASN 15 2.524 10.532 -1.408 120 HB2 ASN 15 2HB ASN 15 0.288 9.618 -1.076 121 HB3 ASN 15 3HB ASN 15 1.275 8.479 -1.987 122 HD21 ASN 15 1HD2 ASN 15 1.962 6.574 -1.000 123 HD22 ASN 15 2HD2 ASN 15 1.213 5.970 0.436 124 H LYS 16 H LYS 16 2.826 8.709 1.592 125 HA LYS 16 HA LYS 16 1.365 10.124 3.380 126 HB2 LYS 16 2HB LYS 16 4.219 9.225 3.820 127 HB3 LYS 16 3HB LYS 16 3.042 9.568 5.080 128 HG2 LYS 16 2HG LYS 16 1.768 7.708 3.484 129 HG3 LYS 16 3HG LYS 16 3.446 7.161 3.522 130 HD2 LYS 16 2HD LYS 16 3.432 7.172 5.942 131 HD3 LYS 16 3HD LYS 16 1.798 7.840 5.958 132 HE2 LYS 16 2HE LYS 16 1.321 5.685 4.481 133 HE3 LYS 16 3HE LYS 16 2.728 5.084 5.356 134 HZ1 LYS 16 1HZ LYS 16 1.321 4.589 6.981 135 HZ2 LYS 16 2HZ LYS 16 0.054 5.459 6.275 136 HZ3 LYS 16 3HZ LYS 16 1.167 6.248 7.275 137 H SER 17 H SER 17 4.374 11.143 1.880 138 HA SER 17 HA SER 17 5.124 13.277 3.422 139 HB2 SER 17 2HB SER 17 5.970 14.311 1.285 140 HB3 SER 17 3HB SER 17 6.464 12.636 1.533 141 HG SER 17 HG SER 17 4.496 12.155 0.211 142 H ARG 18 H ARG 18 3.042 13.590 0.539 143 HA ARG 18 HA ARG 18 2.057 16.140 1.547 144 HB2 ARG 18 2HB ARG 18 2.708 15.996 -0.808 145 HB3 ARG 18 3HB ARG 18 1.538 14.708 -1.065 146 HG2 ARG 18 2HG ARG 18 -0.225 16.128 -1.117 147 HG3 ARG 18 3HG ARG 18 0.505 17.253 0.030 148 HD2 ARG 18 2HD ARG 18 2.062 17.166 -2.376 149 HD3 ARG 18 3HD ARG 18 0.373 17.478 -2.771 150 HE ARG 18 HE ARG 18 1.207 19.122 -0.624 151 HH11 ARG 18 1HH1 ARG 18 1.524 18.741 -4.070 152 HH12 ARG 18 2HH1 ARG 18 1.805 20.425 -4.362 153 HH21 ARG 18 1HH2 ARG 18 1.576 21.342 -0.996 154 HH22 ARG 18 2HH2 ARG 18 1.835 21.904 -2.612 Start of MODEL 13 1 H1 VAL 1 H VAL 1 5.699 -1.226 -1.487 2 HA VAL 1 HA VAL 1 4.785 0.538 -2.719 3 HB VAL 1 HB VAL 1 3.279 2.181 -1.678 4 HG11 VAL 1 1HG1 VAL 1 2.545 -0.102 -2.610 5 HG12 VAL 1 2HG1 VAL 1 2.272 -0.539 -0.922 6 HG13 VAL 1 3HG1 VAL 1 1.394 0.813 -1.637 7 HG21 VAL 1 1HG2 VAL 1 4.204 0.847 0.765 8 HG22 VAL 1 2HG2 VAL 1 3.602 2.487 0.525 9 HG23 VAL 1 3HG2 VAL 1 2.467 1.149 0.703 10 H ALA 2 H ALA 2 6.805 0.442 -0.103 11 HA ALA 2 HA ALA 2 7.793 3.170 -0.631 12 HB1 ALA 2 1HB ALA 2 8.603 1.983 1.919 13 HB2 ALA 2 2HB ALA 2 8.005 3.603 1.557 14 HB3 ALA 2 3HB ALA 2 6.869 2.272 1.773 15 H ARG 3 H ARG 3 8.616 -0.192 -0.007 16 HA ARG 3 HA ARG 3 11.361 -0.087 0.134 17 HB2 ARG 3 2HB ARG 3 9.729 -2.162 -1.341 18 HB3 ARG 3 3HB ARG 3 11.373 -2.368 -0.750 19 HG2 ARG 3 2HG ARG 3 10.699 -2.795 1.340 20 HG3 ARG 3 3HG ARG 3 9.454 -1.546 1.300 21 HD2 ARG 3 2HD ARG 3 7.850 -2.980 0.606 22 HD3 ARG 3 3HD ARG 3 8.965 -3.904 -0.399 23 HE ARG 3 HE ARG 3 9.623 -4.429 2.246 24 HH11 ARG 3 1HH1 ARG 3 6.919 -4.897 0.105 25 HH12 ARG 3 2HH1 ARG 3 6.363 -6.328 0.909 26 HH21 ARG 3 1HH2 ARG 3 8.902 -6.311 3.313 27 HH22 ARG 3 2HH2 ARG 3 7.491 -7.131 2.734 28 H GLY 4 H GLY 4 9.303 0.375 -2.644 29 HA2 GLY 4 2HA GLY 4 11.699 0.594 -4.355 30 HA3 GLY 4 3HA GLY 4 10.088 0.211 -4.945 31 H TRP 5 H TRP 5 11.541 2.777 -2.935 32 HA TRP 5 HA TRP 5 9.790 4.805 -3.538 33 HB2 TRP 5 2HB TRP 5 11.457 5.130 -1.845 34 HB3 TRP 5 3HB TRP 5 12.762 4.932 -3.011 35 HD1 TRP 5 HD1 TRP 5 13.901 7.222 -3.174 36 HE1 TRP 5 HE1 TRP 5 13.115 9.645 -3.539 37 HE3 TRP 5 HE3 TRP 5 8.847 6.467 -3.022 38 HZ2 TRP 5 HZ2 TRP 5 10.675 11.051 -3.735 39 HZ3 TRP 5 HZ3 TRP 5 7.356 8.404 -3.306 40 HH2 TRP 5 HH2 TRP 5 8.253 10.648 -3.654 41 H GLY 6 H GLY 6 13.033 4.823 -4.998 42 HA2 GLY 6 2HA GLY 6 12.292 6.453 -7.161 43 HA3 GLY 6 3HA GLY 6 13.746 5.469 -7.081 44 H ARG 7 H ARG 7 11.824 3.094 -6.661 45 HA ARG 7 HA ARG 7 11.949 1.986 -9.166 46 HB2 ARG 7 2HB ARG 7 11.067 1.120 -6.760 47 HB3 ARG 7 3HB ARG 7 9.536 1.274 -7.611 48 HG2 ARG 7 2HG ARG 7 9.911 -0.748 -8.436 49 HG3 ARG 7 3HG ARG 7 11.190 -0.027 -9.415 50 HD2 ARG 7 2HD ARG 7 12.596 -1.401 -8.366 51 HD3 ARG 7 3HD ARG 7 12.374 -0.383 -6.943 52 HE ARG 7 HE ARG 7 10.293 -2.172 -6.889 53 HH11 ARG 7 1HH1 ARG 7 13.769 -2.369 -6.920 54 HH12 ARG 7 2HH1 ARG 7 13.823 -3.850 -6.023 55 HH21 ARG 7 1HH2 ARG 7 10.352 -4.122 -5.707 56 HH22 ARG 7 2HH2 ARG 7 11.879 -4.847 -5.334 57 H LYS 8 H LYS 8 8.907 3.217 -7.763 58 HA LYS 8 HA LYS 8 8.031 3.878 -10.497 59 HB2 LYS 8 2HB LYS 8 6.765 2.396 -8.419 60 HB3 LYS 8 3HB LYS 8 5.838 3.868 -8.673 61 HG2 LYS 8 2HG LYS 8 5.520 3.350 -10.984 62 HG3 LYS 8 3HG LYS 8 6.627 1.979 -10.879 63 HD2 LYS 8 2HD LYS 8 4.408 1.909 -8.959 64 HD3 LYS 8 3HD LYS 8 3.917 1.814 -10.652 65 HE2 LYS 8 2HE LYS 8 5.899 0.058 -10.740 66 HE3 LYS 8 3HE LYS 8 5.527 -0.081 -9.023 67 HZ1 LYS 8 1HZ LYS 8 4.260 -1.691 -10.224 68 HZ2 LYS 8 2HZ LYS 8 3.659 -0.521 -11.287 69 HZ3 LYS 8 3HZ LYS 8 3.192 -0.505 -9.661 70 H CYS 9 H CYS 9 7.601 4.930 -7.116 71 HA CYS 9 HA CYS 9 6.579 7.478 -7.764 72 HB2 CYS 9 2HB CYS 9 7.991 6.558 -5.252 73 HB3 CYS 9 3HB CYS 9 7.060 8.042 -5.407 74 HG CYS 9 HG CYS 9 5.696 4.937 -5.846 75 HA PRO 10 HA PRO 10 10.363 9.356 -9.153 76 HB2 PRO 10 2HB PRO 10 9.336 11.845 -9.505 77 HB3 PRO 10 3HB PRO 10 9.054 10.520 -10.640 78 HG2 PRO 10 2HG PRO 10 7.280 11.561 -8.465 79 HG3 PRO 10 3HG PRO 10 6.858 11.083 -10.120 80 HD2 PRO 10 2HD PRO 10 6.436 9.471 -7.985 81 HD3 PRO 10 3HD PRO 10 6.827 8.838 -9.597 82 H LEU 11 H LEU 11 8.671 11.993 -7.567 83 HA LEU 11 HA LEU 11 10.738 12.018 -5.469 84 HB2 LEU 11 2HB LEU 11 11.052 14.302 -5.669 85 HB3 LEU 11 3HB LEU 11 10.922 13.764 -7.343 86 HG LEU 11 HG LEU 11 8.376 14.432 -6.950 87 HD11 LEU 11 1HD1 LEU 11 9.362 15.178 -4.540 88 HD12 LEU 11 2HD1 LEU 11 7.939 15.889 -5.300 89 HD13 LEU 11 3HD1 LEU 11 9.505 16.685 -5.445 90 HD21 LEU 11 1HD2 LEU 11 9.410 16.888 -7.540 91 HD22 LEU 11 2HD2 LEU 11 9.166 15.583 -8.701 92 HD23 LEU 11 3HD2 LEU 11 10.748 15.818 -7.956 93 H PHE 12 H PHE 12 7.424 12.703 -6.379 94 HA PHE 12 HA PHE 12 6.739 12.871 -3.518 95 HB2 PHE 12 2HB PHE 12 6.168 14.726 -5.652 96 HB3 PHE 12 3HB PHE 12 4.669 14.101 -4.974 97 HD1 PHE 12 HD1 PHE 12 7.878 14.705 -3.221 98 HD2 PHE 12 HD2 PHE 12 3.843 15.933 -3.791 99 HE1 PHE 12 HE1 PHE 12 8.089 16.265 -1.330 100 HE2 PHE 12 HE2 PHE 12 4.048 17.496 -1.902 101 HZ PHE 12 HZ PHE 12 6.173 17.664 -0.669 102 H GLY 13 H GLY 13 6.611 10.928 -6.107 103 HA2 GLY 13 2HA GLY 13 4.258 9.983 -6.796 104 HA3 GLY 13 3HA GLY 13 5.475 8.871 -6.186 105 H LYS 14 H LYS 14 5.540 8.792 -3.692 106 HA LYS 14 HA LYS 14 2.769 8.747 -2.689 107 HB2 LYS 14 2HB LYS 14 4.913 6.696 -2.609 108 HB3 LYS 14 3HB LYS 14 3.925 6.862 -1.163 109 HG2 LYS 14 2HG LYS 14 2.710 6.527 -3.885 110 HG3 LYS 14 3HG LYS 14 3.195 5.149 -2.893 111 HD2 LYS 14 2HD LYS 14 1.554 7.191 -1.539 112 HD3 LYS 14 3HD LYS 14 0.743 6.279 -2.813 113 HE2 LYS 14 2HE LYS 14 2.307 4.534 -1.134 114 HE3 LYS 14 3HE LYS 14 1.181 5.486 -0.168 115 HZ1 LYS 14 1HZ LYS 14 0.101 3.488 -0.842 116 HZ2 LYS 14 2HZ LYS 14 0.517 3.727 -2.464 117 HZ3 LYS 14 3HZ LYS 14 -0.594 4.760 -1.714 118 H ASN 15 H ASN 15 6.097 9.530 -2.084 119 HA ASN 15 HA ASN 15 5.915 9.974 0.704 120 HB2 ASN 15 2HB ASN 15 7.930 10.069 -1.232 121 HB3 ASN 15 3HB ASN 15 7.834 11.712 -0.605 122 HD21 ASN 15 1HD2 ASN 15 9.588 9.125 -0.290 123 HD22 ASN 15 2HD2 ASN 15 9.928 9.126 1.404 124 H LYS 16 H LYS 16 4.585 11.635 -1.903 125 HA LYS 16 HA LYS 16 4.735 14.303 -1.341 126 HB2 LYS 16 2HB LYS 16 3.513 13.613 -3.257 127 HB3 LYS 16 3HB LYS 16 2.399 12.653 -2.293 128 HG2 LYS 16 2HG LYS 16 2.319 15.389 -1.441 129 HG3 LYS 16 3HG LYS 16 2.068 15.284 -3.185 130 HD2 LYS 16 2HD LYS 16 0.599 13.245 -1.722 131 HD3 LYS 16 3HD LYS 16 0.157 14.881 -1.228 132 HE2 LYS 16 2HE LYS 16 0.240 13.923 -4.086 133 HE3 LYS 16 3HE LYS 16 -1.218 13.978 -3.097 134 HZ1 LYS 16 1HZ LYS 16 -0.106 16.478 -2.881 135 HZ2 LYS 16 2HZ LYS 16 -1.460 16.053 -3.801 136 HZ3 LYS 16 3HZ LYS 16 0.073 16.079 -4.515 137 H SER 17 H SER 17 1.797 12.579 -0.355 138 HA SER 17 HA SER 17 1.928 14.002 2.224 139 HB2 SER 17 2HB SER 17 0.183 14.952 0.768 140 HB3 SER 17 3HB SER 17 -0.549 13.356 0.604 141 HG SER 17 HG SER 17 -1.662 14.280 2.227 142 H ARG 18 H ARG 18 2.682 11.209 1.273 143 HA ARG 18 HA ARG 18 1.329 9.803 3.458 144 HB2 ARG 18 2HB ARG 18 1.273 9.089 0.579 145 HB3 ARG 18 3HB ARG 18 1.529 7.768 1.711 146 HG2 ARG 18 2HG ARG 18 -0.748 9.710 1.968 147 HG3 ARG 18 3HG ARG 18 -0.856 8.215 1.037 148 HD2 ARG 18 2HD ARG 18 -1.499 7.261 2.953 149 HD3 ARG 18 3HD ARG 18 0.198 7.365 3.423 150 HE ARG 18 HE ARG 18 -0.833 9.776 4.145 151 HH11 ARG 18 1HH1 ARG 18 -1.687 6.467 4.807 152 HH12 ARG 18 2HH1 ARG 18 -2.350 6.814 6.369 153 HH21 ARG 18 1HH2 ARG 18 -1.703 10.246 6.200 154 HH22 ARG 18 2HH2 ARG 18 -2.359 8.964 7.161 Start of MODEL 14 1 H1 VAL 1 H VAL 1 0.662 1.145 0.152 2 HA VAL 1 HA VAL 1 2.911 0.141 0.070 3 HB VAL 1 HB VAL 1 1.244 -0.719 -1.528 4 HG11 VAL 1 1HG1 VAL 1 2.433 1.096 -3.602 5 HG12 VAL 1 2HG1 VAL 1 0.968 0.118 -3.699 6 HG13 VAL 1 3HG1 VAL 1 1.004 1.553 -2.674 7 HG21 VAL 1 1HG2 VAL 1 2.755 -1.907 -2.842 8 HG22 VAL 1 2HG2 VAL 1 3.859 -0.539 -2.982 9 HG23 VAL 1 3HG2 VAL 1 3.725 -1.411 -1.455 10 H ALA 2 H ALA 2 5.029 0.463 -0.315 11 HA ALA 2 HA ALA 2 5.780 2.848 -1.878 12 HB1 ALA 2 1HB ALA 2 6.955 3.634 -0.166 13 HB2 ALA 2 2HB ALA 2 6.242 2.367 0.833 14 HB3 ALA 2 3HB ALA 2 7.793 2.095 0.038 15 H ARG 3 H ARG 3 6.625 -0.446 -0.956 16 HA ARG 3 HA ARG 3 9.036 -0.751 -2.275 17 HB2 ARG 3 2HB ARG 3 8.511 -3.146 -2.383 18 HB3 ARG 3 3HB ARG 3 8.098 -2.468 -0.814 19 HG2 ARG 3 2HG ARG 3 5.755 -2.393 -1.433 20 HG3 ARG 3 3HG ARG 3 6.145 -3.001 -3.043 21 HD2 ARG 3 2HD ARG 3 6.525 -5.125 -2.301 22 HD3 ARG 3 3HD ARG 3 7.061 -4.588 -0.709 23 HE ARG 3 HE ARG 3 4.893 -4.707 0.032 24 HH11 ARG 3 1HH1 ARG 3 4.944 -4.897 -3.444 25 HH12 ARG 3 2HH1 ARG 3 3.267 -5.313 -3.576 26 HH21 ARG 3 1HH2 ARG 3 2.684 -5.255 -0.129 27 HH22 ARG 3 2HH2 ARG 3 1.983 -5.516 -1.690 28 H GLY 4 H GLY 4 5.809 -0.563 -3.576 29 HA2 GLY 4 2HA GLY 4 6.917 -1.041 -6.275 30 HA3 GLY 4 3HA GLY 4 5.266 -1.433 -5.819 31 H TRP 5 H TRP 5 6.107 1.415 -4.337 32 HA TRP 5 HA TRP 5 4.986 3.005 -6.552 33 HB2 TRP 5 2HB TRP 5 3.668 2.559 -4.265 34 HB3 TRP 5 3HB TRP 5 4.634 3.938 -3.750 35 HD1 TRP 5 HD1 TRP 5 1.699 3.002 -5.968 36 HE1 TRP 5 HE1 TRP 5 0.585 5.152 -6.839 37 HE3 TRP 5 HE3 TRP 5 5.173 6.410 -4.401 38 HZ2 TRP 5 HZ2 TRP 5 1.109 7.926 -6.860 39 HZ3 TRP 5 HZ3 TRP 5 4.792 8.792 -4.887 40 HH2 TRP 5 HH2 TRP 5 2.801 9.532 -6.092 41 H GLY 6 H GLY 6 6.709 3.510 -3.460 42 HA2 GLY 6 2HA GLY 6 7.872 5.944 -4.056 43 HA3 GLY 6 3HA GLY 6 8.575 4.756 -2.969 44 H ARG 7 H ARG 7 8.999 2.713 -4.920 45 HA ARG 7 HA ARG 7 11.561 3.323 -5.786 46 HB2 ARG 7 2HB ARG 7 10.334 1.041 -5.609 47 HB3 ARG 7 3HB ARG 7 9.841 1.359 -7.267 48 HG2 ARG 7 2HG ARG 7 12.096 1.380 -8.020 49 HG3 ARG 7 3HG ARG 7 12.709 1.357 -6.365 50 HD2 ARG 7 2HD ARG 7 12.744 -0.861 -6.440 51 HD3 ARG 7 3HD ARG 7 10.991 -0.860 -6.628 52 HE ARG 7 HE ARG 7 11.267 -1.385 -8.837 53 HH11 ARG 7 1HH1 ARG 7 14.285 -0.207 -7.564 54 HH12 ARG 7 2HH1 ARG 7 15.188 -0.596 -8.991 55 HH21 ARG 7 1HH2 ARG 7 12.445 -1.903 -10.720 56 HH22 ARG 7 2HH2 ARG 7 14.140 -1.561 -10.785 57 H LYS 8 H LYS 8 8.531 3.363 -7.645 58 HA LYS 8 HA LYS 8 9.816 4.376 -10.007 59 HB2 LYS 8 2HB LYS 8 6.997 3.768 -9.207 60 HB3 LYS 8 3HB LYS 8 7.288 4.767 -10.624 61 HG2 LYS 8 2HG LYS 8 8.971 2.467 -10.750 62 HG3 LYS 8 3HG LYS 8 7.310 1.959 -10.436 63 HD2 LYS 8 2HD LYS 8 7.286 2.054 -12.727 64 HD3 LYS 8 3HD LYS 8 6.769 3.696 -12.339 65 HE2 LYS 8 2HE LYS 8 8.504 4.506 -13.462 66 HE3 LYS 8 3HE LYS 8 9.604 3.663 -12.373 67 HZ1 LYS 8 1HZ LYS 8 8.823 1.681 -13.994 68 HZ2 LYS 8 2HZ LYS 8 10.219 2.606 -14.233 69 HZ3 LYS 8 3HZ LYS 8 8.798 2.989 -15.067 70 H CYS 9 H CYS 9 7.556 5.722 -7.609 71 HA CYS 9 HA CYS 9 8.324 8.413 -8.526 72 HB2 CYS 9 2HB CYS 9 5.749 7.260 -7.594 73 HB3 CYS 9 3HB CYS 9 6.100 8.916 -7.115 74 HG CYS 9 HG CYS 9 6.748 9.363 -10.039 75 HA PRO 10 HA PRO 10 10.108 7.884 -4.283 76 HB2 PRO 10 2HB PRO 10 12.464 9.095 -4.876 77 HB3 PRO 10 3HB PRO 10 12.173 7.374 -5.152 78 HG2 PRO 10 2HG PRO 10 12.063 9.649 -7.094 79 HG3 PRO 10 3HG PRO 10 12.766 8.034 -7.301 80 HD2 PRO 10 2HD PRO 10 10.337 8.703 -8.292 81 HD3 PRO 10 3HD PRO 10 10.722 7.062 -7.735 82 H LEU 11 H LEU 11 10.628 10.705 -6.411 83 HA LEU 11 HA LEU 11 10.753 12.609 -4.351 84 HB2 LEU 11 2HB LEU 11 10.802 14.208 -6.004 85 HB3 LEU 11 3HB LEU 11 11.387 12.780 -6.855 86 HG LEU 11 HG LEU 11 8.803 12.579 -7.473 87 HD11 LEU 11 1HD1 LEU 11 7.573 14.440 -7.323 88 HD12 LEU 11 2HD1 LEU 11 8.918 15.483 -7.783 89 HD13 LEU 11 3HD1 LEU 11 8.752 14.944 -6.112 90 HD21 LEU 11 1HD2 LEU 11 10.444 12.598 -9.160 91 HD22 LEU 11 2HD2 LEU 11 10.938 14.247 -8.777 92 HD23 LEU 11 3HD2 LEU 11 9.373 13.948 -9.535 93 H PHE 12 H PHE 12 8.112 10.899 -5.654 94 HA PHE 12 HA PHE 12 6.217 12.804 -4.446 95 HB2 PHE 12 2HB PHE 12 6.206 11.477 -6.985 96 HB3 PHE 12 3HB PHE 12 4.823 10.924 -6.047 97 HD1 PHE 12 HD1 PHE 12 5.242 12.845 -8.600 98 HD2 PHE 12 HD2 PHE 12 4.214 13.382 -4.505 99 HE1 PHE 12 HE1 PHE 12 4.032 14.908 -9.177 100 HE2 PHE 12 HE2 PHE 12 3.001 15.445 -5.076 101 HZ PHE 12 HZ PHE 12 2.908 16.211 -7.415 102 H GLY 13 H GLY 13 7.808 10.109 -3.688 103 HA2 GLY 13 2HA GLY 13 5.936 8.202 -2.913 104 HA3 GLY 13 3HA GLY 13 7.487 8.458 -2.127 105 H LYS 14 H LYS 14 4.112 9.479 -2.177 106 HA LYS 14 HA LYS 14 3.944 11.249 -0.133 107 HB2 LYS 14 2HB LYS 14 2.160 9.333 -1.352 108 HB3 LYS 14 3HB LYS 14 1.830 9.468 0.370 109 HG2 LYS 14 2HG LYS 14 1.562 11.876 0.145 110 HG3 LYS 14 3HG LYS 14 1.930 11.763 -1.578 111 HD2 LYS 14 2HD LYS 14 -0.064 9.980 -1.441 112 HD3 LYS 14 3HD LYS 14 -0.531 11.031 -0.102 113 HE2 LYS 14 2HE LYS 14 -0.034 12.919 -1.884 114 HE3 LYS 14 3HE LYS 14 -0.371 11.611 -3.016 115 HZ1 LYS 14 1HZ LYS 14 -2.300 13.080 -2.246 116 HZ2 LYS 14 2HZ LYS 14 -2.227 12.204 -0.801 117 HZ3 LYS 14 3HZ LYS 14 -2.536 11.404 -2.259 118 H ASN 15 H ASN 15 4.531 7.803 0.139 119 HA ASN 15 HA ASN 15 4.040 7.235 2.746 120 HB2 ASN 15 2HB ASN 15 5.512 6.047 0.719 121 HB3 ASN 15 3HB ASN 15 6.699 6.294 1.997 122 HD21 ASN 15 1HD2 ASN 15 3.814 4.642 1.042 123 HD22 ASN 15 2HD2 ASN 15 3.767 3.526 2.360 124 H LYS 16 H LYS 16 6.704 9.153 1.485 125 HA LYS 16 HA LYS 16 7.448 9.827 4.257 126 HB2 LYS 16 2HB LYS 16 9.241 9.771 1.823 127 HB3 LYS 16 3HB LYS 16 9.731 10.239 3.446 128 HG2 LYS 16 2HG LYS 16 8.555 7.537 2.945 129 HG3 LYS 16 3HG LYS 16 10.256 7.857 2.597 130 HD2 LYS 16 2HD LYS 16 9.326 8.795 5.224 131 HD3 LYS 16 3HD LYS 16 9.304 7.043 5.006 132 HE2 LYS 16 2HE LYS 16 11.738 8.312 4.013 133 HE3 LYS 16 3HE LYS 16 11.483 8.545 5.741 134 HZ1 LYS 16 1HZ LYS 16 11.905 6.408 6.163 135 HZ2 LYS 16 2HZ LYS 16 12.605 6.365 4.624 136 HZ3 LYS 16 3HZ LYS 16 11.008 5.850 4.841 137 H SER 17 H SER 17 6.910 10.990 0.991 138 HA SER 17 HA SER 17 7.693 13.627 1.205 139 HB2 SER 17 2HB SER 17 5.141 12.883 -0.206 140 HB3 SER 17 3HB SER 17 6.359 14.069 -0.677 141 HG SER 17 HG SER 17 6.949 12.456 -1.926 142 H ARG 18 H ARG 18 4.589 12.183 2.138 143 HA ARG 18 HA ARG 18 4.072 14.575 3.775 144 HB2 ARG 18 2HB ARG 18 2.349 13.253 1.763 145 HB3 ARG 18 3HB ARG 18 1.560 13.726 3.262 146 HG2 ARG 18 2HG ARG 18 3.244 15.655 1.706 147 HG3 ARG 18 3HG ARG 18 1.544 15.382 1.318 148 HD2 ARG 18 2HD ARG 18 2.354 15.992 4.129 149 HD3 ARG 18 3HD ARG 18 2.221 17.298 2.952 150 HE ARG 18 HE ARG 18 -0.107 15.706 2.886 151 HH11 ARG 18 1HH1 ARG 18 1.526 18.053 4.873 152 HH12 ARG 18 2HH1 ARG 18 0.068 18.648 5.596 153 HH21 ARG 18 1HH2 ARG 18 -2.033 16.481 3.831 154 HH22 ARG 18 2HH2 ARG 18 -1.955 17.752 5.003 Start of MODEL 15 1 H1 VAL 1 H VAL 1 -0.354 0.818 -1.383 2 HA VAL 1 HA VAL 1 1.278 -0.947 -1.325 3 HB VAL 1 HB VAL 1 2.337 -1.731 -3.371 4 HG11 VAL 1 1HG1 VAL 1 0.707 -3.223 -3.620 5 HG12 VAL 1 2HG1 VAL 1 -0.308 -2.192 -2.610 6 HG13 VAL 1 3HG1 VAL 1 -0.352 -2.027 -4.366 7 HG21 VAL 1 1HG2 VAL 1 0.577 0.312 -4.711 8 HG22 VAL 1 2HG2 VAL 1 2.338 0.223 -4.732 9 HG23 VAL 1 3HG2 VAL 1 1.383 -0.997 -5.576 10 H ALA 2 H ALA 2 3.482 -0.598 -1.068 11 HA ALA 2 HA ALA 2 4.445 2.062 -1.901 12 HB1 ALA 2 1HB ALA 2 5.056 2.564 0.185 13 HB2 ALA 2 2HB ALA 2 4.027 1.221 0.684 14 HB3 ALA 2 3HB ALA 2 5.757 0.968 0.455 15 H ARG 3 H ARG 3 5.275 -1.306 -1.288 16 HA ARG 3 HA ARG 3 7.993 -1.282 -1.765 17 HB2 ARG 3 2HB ARG 3 7.694 -3.632 -2.565 18 HB3 ARG 3 3HB ARG 3 6.917 -3.294 -1.025 19 HG2 ARG 3 2HG ARG 3 4.961 -2.759 -2.921 20 HG3 ARG 3 3HG ARG 3 5.771 -4.214 -3.506 21 HD2 ARG 3 2HD ARG 3 5.532 -5.038 -1.066 22 HD3 ARG 3 3HD ARG 3 4.322 -3.764 -0.923 23 HE ARG 3 HE ARG 3 2.889 -5.041 -2.166 24 HH11 ARG 3 1HH1 ARG 3 6.126 -6.258 -2.561 25 HH12 ARG 3 2HH1 ARG 3 5.630 -7.663 -3.446 26 HH21 ARG 3 1HH2 ARG 3 2.223 -6.886 -3.330 27 HH22 ARG 3 2HH2 ARG 3 3.409 -8.018 -3.883 28 H GLY 4 H GLY 4 5.359 -0.954 -4.026 29 HA2 GLY 4 2HA GLY 4 7.319 -0.882 -6.237 30 HA3 GLY 4 3HA GLY 4 5.643 -1.372 -6.432 31 H TRP 5 H TRP 5 5.982 1.218 -4.291 32 HA TRP 5 HA TRP 5 5.278 3.118 -6.432 33 HB2 TRP 5 2HB TRP 5 3.584 2.376 -4.507 34 HB3 TRP 5 3HB TRP 5 4.432 3.642 -3.625 35 HD1 TRP 5 HD1 TRP 5 1.944 3.111 -6.441 36 HE1 TRP 5 HE1 TRP 5 0.987 5.390 -7.159 37 HE3 TRP 5 HE3 TRP 5 5.064 6.172 -3.790 38 HZ2 TRP 5 HZ2 TRP 5 1.489 8.124 -6.667 39 HZ3 TRP 5 HZ3 TRP 5 4.759 8.607 -3.969 40 HH2 TRP 5 HH2 TRP 5 3.009 9.561 -5.379 41 H GLY 6 H GLY 6 7.259 2.471 -3.664 42 HA2 GLY 6 2HA GLY 6 8.167 5.179 -3.318 43 HA3 GLY 6 3HA GLY 6 8.842 3.746 -2.558 44 H ARG 7 H ARG 7 9.151 2.447 -5.233 45 HA ARG 7 HA ARG 7 11.746 3.606 -5.831 46 HB2 ARG 7 2HB ARG 7 11.736 1.231 -5.621 47 HB3 ARG 7 3HB ARG 7 10.364 1.075 -6.709 48 HG2 ARG 7 2HG ARG 7 11.683 0.971 -8.489 49 HG3 ARG 7 3HG ARG 7 12.573 2.413 -7.997 50 HD2 ARG 7 2HD ARG 7 13.169 0.045 -6.388 51 HD3 ARG 7 3HD ARG 7 13.588 -0.128 -8.092 52 HE ARG 7 HE ARG 7 14.930 1.473 -6.158 53 HH11 ARG 7 1HH1 ARG 7 14.069 1.305 -9.528 54 HH12 ARG 7 2HH1 ARG 7 15.405 2.276 -10.052 55 HH21 ARG 7 1HH2 ARG 7 16.693 2.752 -6.836 56 HH22 ARG 7 2HH2 ARG 7 16.897 3.097 -8.520 57 H LYS 8 H LYS 8 8.608 3.173 -7.339 58 HA LYS 8 HA LYS 8 9.443 4.070 -9.929 59 HB2 LYS 8 2HB LYS 8 7.246 2.736 -8.967 60 HB3 LYS 8 3HB LYS 8 6.593 4.339 -9.277 61 HG2 LYS 8 2HG LYS 8 7.075 4.224 -11.559 62 HG3 LYS 8 3HG LYS 8 8.198 2.878 -11.344 63 HD2 LYS 8 2HD LYS 8 5.639 2.112 -10.342 64 HD3 LYS 8 3HD LYS 8 5.436 2.782 -11.962 65 HE2 LYS 8 2HE LYS 8 6.545 1.078 -12.945 66 HE3 LYS 8 3HE LYS 8 7.703 0.932 -11.624 67 HZ1 LYS 8 1HZ LYS 8 5.544 0.049 -10.405 68 HZ2 LYS 8 2HZ LYS 8 6.552 -0.972 -11.301 69 HZ3 LYS 8 3HZ LYS 8 5.124 -0.380 -11.987 70 H CYS 9 H CYS 9 7.582 5.531 -7.271 71 HA CYS 9 HA CYS 9 8.136 8.170 -8.461 72 HB2 CYS 9 2HB CYS 9 5.699 7.034 -7.203 73 HB3 CYS 9 3HB CYS 9 6.064 8.717 -6.840 74 HG CYS 9 HG CYS 9 4.192 8.062 -9.090 75 HA PRO 10 HA PRO 10 10.347 7.901 -4.386 76 HB2 PRO 10 2HB PRO 10 12.653 9.008 -5.298 77 HB3 PRO 10 3HB PRO 10 12.309 7.277 -5.406 78 HG2 PRO 10 2HG PRO 10 12.045 9.396 -7.505 79 HG3 PRO 10 3HG PRO 10 12.700 7.754 -7.648 80 HD2 PRO 10 2HD PRO 10 10.195 8.399 -8.451 81 HD3 PRO 10 3HD PRO 10 10.608 6.798 -7.805 82 H LEU 11 H LEU 11 10.701 10.535 -6.772 83 HA LEU 11 HA LEU 11 11.050 12.589 -4.887 84 HB2 LEU 11 2HB LEU 11 10.983 14.052 -6.659 85 HB3 LEU 11 3HB LEU 11 11.453 12.547 -7.447 86 HG LEU 11 HG LEU 11 8.818 12.377 -7.807 87 HD11 LEU 11 1HD1 LEU 11 7.650 14.281 -7.693 88 HD12 LEU 11 2HD1 LEU 11 8.973 15.248 -8.344 89 HD13 LEU 11 3HD1 LEU 11 8.944 14.833 -6.630 90 HD21 LEU 11 1HD2 LEU 11 10.269 12.218 -9.643 91 HD22 LEU 11 2HD2 LEU 11 10.872 13.860 -9.421 92 HD23 LEU 11 3HD2 LEU 11 9.230 13.595 -10.009 93 H PHE 12 H PHE 12 8.275 10.843 -5.801 94 HA PHE 12 HA PHE 12 6.529 12.880 -4.585 95 HB2 PHE 12 2HB PHE 12 6.266 11.369 -7.005 96 HB3 PHE 12 3HB PHE 12 4.965 10.919 -5.907 97 HD1 PHE 12 HD1 PHE 12 5.172 12.630 -8.626 98 HD2 PHE 12 HD2 PHE 12 4.546 13.503 -4.507 99 HE1 PHE 12 HE1 PHE 12 3.948 14.672 -9.248 100 HE2 PHE 12 HE2 PHE 12 3.320 15.545 -5.123 101 HZ PHE 12 HZ PHE 12 3.019 16.132 -7.496 102 H GLY 13 H GLY 13 8.140 10.224 -3.756 103 HA2 GLY 13 2HA GLY 13 6.312 8.422 -2.676 104 HA3 GLY 13 3HA GLY 13 7.932 8.700 -2.053 105 H LYS 14 H LYS 14 4.583 9.795 -1.883 106 HA LYS 14 HA LYS 14 4.633 11.718 0.026 107 HB2 LYS 14 2HB LYS 14 2.710 9.783 -0.899 108 HB3 LYS 14 3HB LYS 14 2.543 10.008 0.838 109 HG2 LYS 14 2HG LYS 14 2.619 12.546 0.220 110 HG3 LYS 14 3HG LYS 14 2.139 11.960 -1.375 111 HD2 LYS 14 2HD LYS 14 0.378 10.600 0.070 112 HD3 LYS 14 3HD LYS 14 0.646 11.932 1.196 113 HE2 LYS 14 2HE LYS 14 0.360 13.115 -1.325 114 HE3 LYS 14 3HE LYS 14 -0.886 11.871 -1.242 115 HZ1 LYS 14 1HZ LYS 14 -0.470 13.836 0.931 116 HZ2 LYS 14 2HZ LYS 14 -1.811 12.842 0.666 117 HZ3 LYS 14 3HZ LYS 14 -1.502 14.140 -0.374 118 H ASN 15 H ASN 15 5.183 8.289 0.507 119 HA ASN 15 HA ASN 15 4.915 7.930 3.184 120 HB2 ASN 15 2HB ASN 15 6.425 6.691 1.087 121 HB3 ASN 15 3HB ASN 15 7.418 6.765 2.539 122 HD21 ASN 15 1HD2 ASN 15 6.404 5.964 4.541 123 HD22 ASN 15 2HD2 ASN 15 5.346 4.602 4.427 124 H LYS 16 H LYS 16 7.485 9.685 1.549 125 HA LYS 16 HA LYS 16 8.494 10.538 4.184 126 HB2 LYS 16 2HB LYS 16 10.051 10.270 1.606 127 HB3 LYS 16 3HB LYS 16 10.698 10.840 3.139 128 HG2 LYS 16 2HG LYS 16 9.430 8.142 2.970 129 HG3 LYS 16 3HG LYS 16 11.084 8.384 2.402 130 HD2 LYS 16 2HD LYS 16 11.791 8.200 4.502 131 HD3 LYS 16 3HD LYS 16 10.896 9.667 4.903 132 HE2 LYS 16 2HE LYS 16 9.873 8.274 6.365 133 HE3 LYS 16 3HE LYS 16 8.883 7.906 4.953 134 HZ1 LYS 16 1HZ LYS 16 10.467 6.049 4.498 135 HZ2 LYS 16 2HZ LYS 16 9.547 5.860 5.904 136 HZ3 LYS 16 3HZ LYS 16 11.166 6.338 6.011 137 H SER 17 H SER 17 7.678 11.480 0.903 138 HA SER 17 HA SER 17 8.512 14.124 0.903 139 HB2 SER 17 2HB SER 17 5.930 13.188 -0.351 140 HB3 SER 17 3HB SER 17 6.992 14.485 -0.897 141 HG SER 17 HG SER 17 7.041 12.121 -1.811 142 H ARG 18 H ARG 18 5.256 12.919 1.730 143 HA ARG 18 HA ARG 18 4.874 15.359 3.338 144 HB2 ARG 18 2HB ARG 18 3.306 14.353 1.239 145 HB3 ARG 18 3HB ARG 18 2.408 13.992 2.707 146 HG2 ARG 18 2HG ARG 18 3.331 16.638 2.961 147 HG3 ARG 18 3HG ARG 18 2.684 16.473 1.327 148 HD2 ARG 18 2HD ARG 18 0.682 15.324 2.482 149 HD3 ARG 18 3HD ARG 18 1.303 16.068 3.955 150 HE ARG 18 HE ARG 18 1.110 18.037 1.975 151 HH11 ARG 18 1HH1 ARG 18 -0.945 16.002 3.911 152 HH12 ARG 18 2HH1 ARG 18 -2.269 17.119 3.914 153 HH21 ARG 18 1HH2 ARG 18 -0.626 19.517 1.971 154 HH22 ARG 18 2HH2 ARG 18 -2.087 19.118 2.809 Start of MODEL 16 1 H1 VAL 1 H VAL 1 -0.076 0.695 -0.098 2 HA VAL 1 HA VAL 1 1.906 -0.388 -0.394 3 HB VAL 1 HB VAL 1 2.514 -0.976 -2.730 4 HG11 VAL 1 1HG1 VAL 1 0.684 -2.101 -1.292 5 HG12 VAL 1 2HG1 VAL 1 -0.440 -1.351 -2.428 6 HG13 VAL 1 3HG1 VAL 1 0.776 -2.487 -3.010 7 HG21 VAL 1 1HG2 VAL 1 0.275 0.930 -3.359 8 HG22 VAL 1 2HG2 VAL 1 1.932 0.954 -3.961 9 HG23 VAL 1 3HG2 VAL 1 0.819 -0.306 -4.494 10 H ALA 2 H ALA 2 3.999 0.154 -0.216 11 HA ALA 2 HA ALA 2 4.873 2.676 -1.469 12 HB1 ALA 2 1HB ALA 2 5.623 3.458 0.481 13 HB2 ALA 2 2HB ALA 2 4.650 2.193 1.231 14 HB3 ALA 2 3HB ALA 2 6.362 1.916 0.912 15 H ARG 3 H ARG 3 5.773 -0.580 -0.475 16 HA ARG 3 HA ARG 3 8.451 -0.619 -1.141 17 HB2 ARG 3 2HB ARG 3 8.036 -3.075 -1.691 18 HB3 ARG 3 3HB ARG 3 7.576 -2.534 -0.082 19 HG2 ARG 3 2HG ARG 3 5.455 -3.103 -0.403 20 HG3 ARG 3 3HG ARG 3 5.393 -2.271 -1.958 21 HD2 ARG 3 2HD ARG 3 5.105 -4.375 -2.735 22 HD3 ARG 3 3HD ARG 3 6.866 -4.395 -2.656 23 HE ARG 3 HE ARG 3 5.673 -5.247 -0.209 24 HH11 ARG 3 1HH1 ARG 3 6.517 -6.275 -3.426 25 HH12 ARG 3 2HH1 ARG 3 6.648 -7.949 -2.998 26 HH21 ARG 3 1HH2 ARG 3 5.842 -7.447 0.367 27 HH22 ARG 3 2HH2 ARG 3 6.262 -8.614 -0.840 28 H GLY 4 H GLY 4 5.662 -0.591 -3.230 29 HA2 GLY 4 2HA GLY 4 7.457 -0.825 -5.566 30 HA3 GLY 4 3HA GLY 4 5.774 -1.331 -5.572 31 H TRP 5 H TRP 5 6.217 1.515 -3.823 32 HA TRP 5 HA TRP 5 5.370 3.116 -6.148 33 HB2 TRP 5 2HB TRP 5 3.810 2.633 -4.033 34 HB3 TRP 5 3HB TRP 5 4.697 4.012 -3.390 35 HD1 TRP 5 HD1 TRP 5 2.046 3.088 -5.947 36 HE1 TRP 5 HE1 TRP 5 1.015 5.244 -6.904 37 HE3 TRP 5 HE3 TRP 5 5.277 6.499 -3.930 38 HZ2 TRP 5 HZ2 TRP 5 1.506 8.022 -6.816 39 HZ3 TRP 5 HZ3 TRP 5 4.927 8.886 -4.415 40 HH2 TRP 5 HH2 TRP 5 3.080 9.629 -5.829 41 H GLY 6 H GLY 6 7.588 2.791 -3.534 42 HA2 GLY 6 2HA GLY 6 8.482 5.544 -3.618 43 HA3 GLY 6 3HA GLY 6 9.182 4.246 -2.662 44 H ARG 7 H ARG 7 9.294 2.568 -5.183 45 HA ARG 7 HA ARG 7 11.941 3.411 -5.958 46 HB2 ARG 7 2HB ARG 7 11.632 1.065 -5.673 47 HB3 ARG 7 3HB ARG 7 10.216 1.057 -6.716 48 HG2 ARG 7 2HG ARG 7 11.439 0.888 -8.583 49 HG3 ARG 7 3HG ARG 7 12.662 2.021 -8.005 50 HD2 ARG 7 2HD ARG 7 14.006 0.367 -7.354 51 HD3 ARG 7 3HD ARG 7 12.697 -0.448 -6.498 52 HE ARG 7 HE ARG 7 12.300 -0.923 -9.196 53 HH11 ARG 7 1HH1 ARG 7 14.730 -1.598 -6.797 54 HH12 ARG 7 2HH1 ARG 7 15.256 -3.065 -7.553 55 HH21 ARG 7 1HH2 ARG 7 12.983 -2.853 -10.202 56 HH22 ARG 7 2HH2 ARG 7 14.263 -3.778 -9.491 57 H LYS 8 H LYS 8 8.726 3.607 -7.233 58 HA LYS 8 HA LYS 8 9.655 4.333 -9.895 59 HB2 LYS 8 2HB LYS 8 7.723 2.994 -9.974 60 HB3 LYS 8 3HB LYS 8 6.946 3.882 -8.670 61 HG2 LYS 8 2HG LYS 8 6.130 5.458 -10.049 62 HG3 LYS 8 3HG LYS 8 7.567 5.457 -11.075 63 HD2 LYS 8 2HD LYS 8 6.324 2.944 -11.399 64 HD3 LYS 8 3HD LYS 8 5.050 4.163 -11.495 65 HE2 LYS 8 2HE LYS 8 6.966 5.319 -13.013 66 HE3 LYS 8 3HE LYS 8 7.299 3.615 -13.318 67 HZ1 LYS 8 1HZ LYS 8 5.539 4.980 -14.715 68 HZ2 LYS 8 2HZ LYS 8 4.515 4.475 -13.467 69 HZ3 LYS 8 3HZ LYS 8 5.344 3.330 -14.395 70 H CYS 9 H CYS 9 7.559 5.807 -7.410 71 HA CYS 9 HA CYS 9 8.369 8.446 -8.438 72 HB2 CYS 9 2HB CYS 9 5.789 7.418 -7.332 73 HB3 CYS 9 3HB CYS 9 6.194 9.113 -7.092 74 HG CYS 9 HG CYS 9 4.581 8.011 -9.522 75 HA PRO 10 HA PRO 10 10.192 8.021 -4.195 76 HB2 PRO 10 2HB PRO 10 12.582 9.124 -4.862 77 HB3 PRO 10 3HB PRO 10 12.228 7.404 -5.063 78 HG2 PRO 10 2HG PRO 10 12.174 9.599 -7.098 79 HG3 PRO 10 3HG PRO 10 12.819 7.953 -7.244 80 HD2 PRO 10 2HD PRO 10 10.402 8.664 -8.237 81 HD3 PRO 10 3HD PRO 10 10.738 7.035 -7.616 82 H LEU 11 H LEU 11 10.782 10.732 -6.445 83 HA LEU 11 HA LEU 11 11.000 12.715 -4.471 84 HB2 LEU 11 2HB LEU 11 11.078 14.240 -6.191 85 HB3 LEU 11 3HB LEU 11 11.597 12.757 -6.990 86 HG LEU 11 HG LEU 11 8.997 12.624 -7.558 87 HD11 LEU 11 1HD1 LEU 11 9.231 15.516 -7.969 88 HD12 LEU 11 2HD1 LEU 11 9.028 15.025 -6.288 89 HD13 LEU 11 3HD1 LEU 11 7.839 14.541 -7.497 90 HD21 LEU 11 1HD2 LEU 11 9.569 13.855 -9.690 91 HD22 LEU 11 2HD2 LEU 11 10.635 12.518 -9.258 92 HD23 LEU 11 3HD2 LEU 11 11.147 14.182 -8.973 93 H PHE 12 H PHE 12 8.282 11.043 -5.664 94 HA PHE 12 HA PHE 12 6.473 13.056 -4.501 95 HB2 PHE 12 2HB PHE 12 6.378 11.646 -6.994 96 HB3 PHE 12 3HB PHE 12 4.991 11.173 -6.018 97 HD1 PHE 12 HD1 PHE 12 4.489 13.700 -4.551 98 HD2 PHE 12 HD2 PHE 12 5.436 12.993 -8.640 99 HE1 PHE 12 HE1 PHE 12 3.339 15.784 -5.175 100 HE2 PHE 12 HE2 PHE 12 4.289 15.076 -9.270 101 HZ PHE 12 HZ PHE 12 3.239 16.475 -7.537 102 H GLY 13 H GLY 13 7.981 10.337 -3.670 103 HA2 GLY 13 2HA GLY 13 6.055 8.524 -2.805 104 HA3 GLY 13 3HA GLY 13 7.625 8.752 -2.049 105 H LYS 14 H LYS 14 4.287 9.890 -2.090 106 HA LYS 14 HA LYS 14 4.210 11.733 -0.107 107 HB2 LYS 14 2HB LYS 14 2.344 9.846 -1.239 108 HB3 LYS 14 3HB LYS 14 2.044 10.039 0.483 109 HG2 LYS 14 2HG LYS 14 1.109 12.025 0.176 110 HG3 LYS 14 3HG LYS 14 2.477 12.593 -0.784 111 HD2 LYS 14 2HD LYS 14 0.575 12.703 -2.194 112 HD3 LYS 14 3HD LYS 14 1.503 11.295 -2.719 113 HE2 LYS 14 2HE LYS 14 -0.815 10.692 -2.655 114 HE3 LYS 14 3HE LYS 14 0.008 9.872 -1.330 115 HZ1 LYS 14 1HZ LYS 14 -0.814 12.204 -0.215 116 HZ2 LYS 14 2HZ LYS 14 -1.599 10.714 -0.062 117 HZ3 LYS 14 3HZ LYS 14 -2.100 11.816 -1.244 118 H ASN 15 H ASN 15 4.680 8.279 0.278 119 HA ASN 15 HA ASN 15 4.207 7.820 2.910 120 HB2 ASN 15 2HB ASN 15 5.610 6.513 0.905 121 HB3 ASN 15 3HB ASN 15 6.819 6.757 2.162 122 HD21 ASN 15 1HD2 ASN 15 6.979 4.661 2.797 123 HD22 ASN 15 2HD2 ASN 15 5.699 3.792 3.566 124 H LYS 16 H LYS 16 6.922 9.593 1.546 125 HA LYS 16 HA LYS 16 7.730 10.335 4.282 126 HB2 LYS 16 2HB LYS 16 9.482 10.135 1.825 127 HB3 LYS 16 3HB LYS 16 10.013 10.639 3.424 128 HG2 LYS 16 2HG LYS 16 9.108 8.323 4.170 129 HG3 LYS 16 3HG LYS 16 9.241 7.924 2.456 130 HD2 LYS 16 2HD LYS 16 11.640 8.911 2.694 131 HD3 LYS 16 3HD LYS 16 11.391 8.618 4.416 132 HE2 LYS 16 2HE LYS 16 10.542 6.277 3.198 133 HE3 LYS 16 3HE LYS 16 11.967 6.748 2.273 134 HZ1 LYS 16 1HZ LYS 16 13.283 6.751 4.221 135 HZ2 LYS 16 2HZ LYS 16 12.406 5.305 4.246 136 HZ3 LYS 16 3HZ LYS 16 11.936 6.596 5.233 137 H SER 17 H SER 17 7.181 11.407 0.987 138 HA SER 17 HA SER 17 8.059 14.020 1.100 139 HB2 SER 17 2HB SER 17 5.461 13.320 -0.248 140 HB3 SER 17 3HB SER 17 6.712 14.446 -0.776 141 HG SER 17 HG SER 17 8.065 12.447 -0.904 142 H ARG 18 H ARG 18 4.681 13.002 1.651 143 HA ARG 18 HA ARG 18 4.117 15.504 2.997 144 HB2 ARG 18 2HB ARG 18 2.459 14.532 1.470 145 HB3 ARG 18 3HB ARG 18 2.355 13.101 2.487 146 HG2 ARG 18 2HG ARG 18 1.217 14.216 4.165 147 HG3 ARG 18 3HG ARG 18 1.772 15.802 3.624 148 HD2 ARG 18 2HD ARG 18 0.399 14.929 1.442 149 HD3 ARG 18 3HD ARG 18 -0.529 14.202 2.753 150 HE ARG 18 HE ARG 18 -0.187 16.797 3.521 151 HH11 ARG 18 1HH1 ARG 18 -1.492 15.216 0.707 152 HH12 ARG 18 2HH1 ARG 18 -2.626 16.480 0.363 153 HH21 ARG 18 1HH2 ARG 18 -1.676 18.467 3.078 154 HH22 ARG 18 2HH2 ARG 18 -2.729 18.329 1.712 Start of MODEL 17 1 H1 VAL 1 H VAL 1 2.889 0.160 1.146 2 HA VAL 1 HA VAL 1 3.224 -0.992 -0.914 3 HB VAL 1 HB VAL 1 1.293 1.009 -2.093 4 HG11 VAL 1 1HG1 VAL 1 2.649 0.361 -3.854 5 HG12 VAL 1 2HG1 VAL 1 2.870 -1.270 -3.219 6 HG13 VAL 1 3HG1 VAL 1 1.331 -0.806 -3.945 7 HG21 VAL 1 1HG2 VAL 1 0.132 -1.454 -2.339 8 HG22 VAL 1 2HG2 VAL 1 0.879 -1.554 -0.745 9 HG23 VAL 1 3HG2 VAL 1 -0.267 -0.261 -1.103 10 H ALA 2 H ALA 2 5.318 -0.255 -0.750 11 HA ALA 2 HA ALA 2 5.884 2.312 -2.087 12 HB1 ALA 2 1HB ALA 2 7.160 2.954 -0.386 13 HB2 ALA 2 2HB ALA 2 6.539 1.573 0.519 14 HB3 ALA 2 3HB ALA 2 8.041 1.425 -0.392 15 H ARG 3 H ARG 3 6.879 -1.030 -1.600 16 HA ARG 3 HA ARG 3 9.208 -1.098 -3.093 17 HB2 ARG 3 2HB ARG 3 8.842 -3.465 -3.343 18 HB3 ARG 3 3HB ARG 3 8.297 -2.980 -1.743 19 HG2 ARG 3 2HG ARG 3 5.975 -2.772 -2.965 20 HG3 ARG 3 3HG ARG 3 6.725 -3.911 -4.084 21 HD2 ARG 3 2HD ARG 3 6.884 -5.572 -2.497 22 HD3 ARG 3 3HD ARG 3 6.885 -4.431 -1.152 23 HE ARG 3 HE ARG 3 4.590 -5.600 -2.439 24 HH11 ARG 3 1HH1 ARG 3 5.771 -2.959 -0.502 25 HH12 ARG 3 2HH1 ARG 3 4.222 -2.599 0.185 26 HH21 ARG 3 1HH2 ARG 3 2.545 -5.136 -1.541 27 HH22 ARG 3 2HH2 ARG 3 2.388 -3.838 -0.406 28 H GLY 4 H GLY 4 5.902 -0.864 -4.155 29 HA2 GLY 4 2HA GLY 4 6.824 -1.049 -6.956 30 HA3 GLY 4 3HA GLY 4 5.205 -1.486 -6.429 31 H TRP 5 H TRP 5 6.068 1.176 -4.695 32 HA TRP 5 HA TRP 5 4.861 2.992 -6.679 33 HB2 TRP 5 2HB TRP 5 3.657 2.291 -4.391 34 HB3 TRP 5 3HB TRP 5 4.639 3.620 -3.780 35 HD1 TRP 5 HD1 TRP 5 1.607 2.889 -5.945 36 HE1 TRP 5 HE1 TRP 5 0.439 5.107 -6.531 37 HE3 TRP 5 HE3 TRP 5 5.130 6.151 -4.188 38 HZ2 TRP 5 HZ2 TRP 5 0.944 7.873 -6.281 39 HZ3 TRP 5 HZ3 TRP 5 4.711 8.566 -4.401 40 HH2 TRP 5 HH2 TRP 5 2.661 9.407 -5.426 41 H GLY 6 H GLY 6 6.683 3.226 -3.612 42 HA2 GLY 6 2HA GLY 6 7.833 5.705 -4.064 43 HA3 GLY 6 3HA GLY 6 8.544 4.451 -3.058 44 H ARG 7 H ARG 7 8.690 2.628 -5.433 45 HA ARG 7 HA ARG 7 11.334 3.292 -6.217 46 HB2 ARG 7 2HB ARG 7 9.385 1.231 -7.252 47 HB3 ARG 7 3HB ARG 7 11.046 1.363 -7.814 48 HG2 ARG 7 2HG ARG 7 10.299 0.927 -4.934 49 HG3 ARG 7 3HG ARG 7 10.641 -0.380 -6.068 50 HD2 ARG 7 2HD ARG 7 12.776 1.350 -6.384 51 HD3 ARG 7 3HD ARG 7 12.462 1.383 -4.650 52 HE ARG 7 HE ARG 7 12.455 -1.281 -5.454 53 HH11 ARG 7 1HH1 ARG 7 14.684 1.385 -5.262 54 HH12 ARG 7 2HH1 ARG 7 16.074 0.377 -5.030 55 HH21 ARG 7 1HH2 ARG 7 14.277 -2.620 -5.151 56 HH22 ARG 7 2HH2 ARG 7 15.841 -1.902 -4.968 57 H LYS 8 H LYS 8 8.217 3.381 -7.912 58 HA LYS 8 HA LYS 8 9.378 4.471 -10.309 59 HB2 LYS 8 2HB LYS 8 7.060 3.114 -9.758 60 HB3 LYS 8 3HB LYS 8 6.476 4.762 -9.952 61 HG2 LYS 8 2HG LYS 8 7.400 4.893 -12.160 62 HG3 LYS 8 3HG LYS 8 8.188 3.325 -11.968 63 HD2 LYS 8 2HD LYS 8 6.280 2.830 -13.214 64 HD3 LYS 8 3HD LYS 8 5.811 2.421 -11.562 65 HE2 LYS 8 2HE LYS 8 4.583 4.451 -11.329 66 HE3 LYS 8 3HE LYS 8 5.230 5.085 -12.842 67 HZ1 LYS 8 1HZ LYS 8 3.762 2.565 -12.967 68 HZ2 LYS 8 2HZ LYS 8 3.817 3.840 -14.076 69 HZ3 LYS 8 3HZ LYS 8 2.858 3.967 -12.688 70 H CYS 9 H CYS 9 7.304 5.709 -7.702 71 HA CYS 9 HA CYS 9 7.948 8.439 -8.601 72 HB2 CYS 9 2HB CYS 9 5.479 7.214 -7.500 73 HB3 CYS 9 3HB CYS 9 5.848 8.852 -6.975 74 HG CYS 9 HG CYS 9 6.288 9.203 -10.043 75 HA PRO 10 HA PRO 10 10.091 7.793 -4.538 76 HB2 PRO 10 2HB PRO 10 12.396 9.008 -5.298 77 HB3 PRO 10 3HB PRO 10 12.073 7.295 -5.587 78 HG2 PRO 10 2HG PRO 10 11.815 9.613 -7.463 79 HG3 PRO 10 3HG PRO 10 12.490 8.001 -7.763 80 HD2 PRO 10 2HD PRO 10 9.990 8.701 -8.533 81 HD3 PRO 10 3HD PRO 10 10.411 7.046 -8.047 82 H LEU 11 H LEU 11 10.448 10.659 -6.639 83 HA LEU 11 HA LEU 11 10.751 12.515 -4.551 84 HB2 LEU 11 2HB LEU 11 10.683 14.150 -6.167 85 HB3 LEU 11 3HB LEU 11 11.184 12.739 -7.095 86 HG LEU 11 HG LEU 11 8.557 12.571 -7.506 87 HD11 LEU 11 1HD1 LEU 11 8.695 15.488 -7.738 88 HD12 LEU 11 2HD1 LEU 11 8.615 14.885 -6.083 89 HD13 LEU 11 3HD1 LEU 11 7.361 14.447 -7.242 90 HD21 LEU 11 1HD2 LEU 11 10.587 14.262 -8.941 91 HD22 LEU 11 2HD2 LEU 11 8.968 13.976 -9.578 92 HD23 LEU 11 3HD2 LEU 11 10.065 12.619 -9.317 93 H PHE 12 H PHE 12 8.005 10.845 -5.676 94 HA PHE 12 HA PHE 12 6.223 12.732 -4.282 95 HB2 PHE 12 2HB PHE 12 6.003 11.458 -6.839 96 HB3 PHE 12 3HB PHE 12 4.696 10.891 -5.805 97 HD1 PHE 12 HD1 PHE 12 4.226 13.319 -4.170 98 HD2 PHE 12 HD2 PHE 12 4.920 12.862 -8.344 99 HE1 PHE 12 HE1 PHE 12 2.983 15.399 -4.600 100 HE2 PHE 12 HE2 PHE 12 3.679 14.941 -8.781 101 HZ PHE 12 HZ PHE 12 2.710 16.213 -6.908 102 H GLY 13 H GLY 13 7.853 10.011 -3.715 103 HA2 GLY 13 2HA GLY 13 6.044 8.094 -2.832 104 HA3 GLY 13 3HA GLY 13 7.649 8.336 -2.158 105 H LYS 14 H LYS 14 4.279 9.351 -1.938 106 HA LYS 14 HA LYS 14 4.256 11.084 0.141 107 HB2 LYS 14 2HB LYS 14 2.394 9.214 -0.994 108 HB3 LYS 14 3HB LYS 14 2.208 9.236 0.755 109 HG2 LYS 14 2HG LYS 14 2.097 11.764 0.562 110 HG3 LYS 14 3HG LYS 14 1.919 11.515 -1.176 111 HD2 LYS 14 2HD LYS 14 -0.273 11.344 -0.780 112 HD3 LYS 14 3HD LYS 14 0.089 9.759 -0.091 113 HE2 LYS 14 2HE LYS 14 0.564 11.109 2.079 114 HE3 LYS 14 3HE LYS 14 -0.385 12.370 1.294 115 HZ1 LYS 14 1HZ LYS 14 -2.228 10.847 1.105 116 HZ2 LYS 14 2HZ LYS 14 -1.737 10.940 2.721 117 HZ3 LYS 14 3HZ LYS 14 -1.318 9.593 1.786 118 H ASN 15 H ASN 15 4.851 7.628 0.323 119 HA ASN 15 HA ASN 15 4.577 7.037 2.956 120 HB2 ASN 15 2HB ASN 15 5.725 5.767 0.859 121 HB3 ASN 15 3HB ASN 15 7.156 6.148 1.811 122 HD21 ASN 15 1HD2 ASN 15 6.032 3.562 1.238 123 HD22 ASN 15 2HD2 ASN 15 5.639 2.841 2.759 124 H LYS 16 H LYS 16 7.169 8.918 1.491 125 HA LYS 16 HA LYS 16 8.158 9.548 4.196 126 HB2 LYS 16 2HB LYS 16 9.695 8.301 2.537 127 HB3 LYS 16 3HB LYS 16 9.802 9.840 1.694 128 HG2 LYS 16 2HG LYS 16 10.832 10.890 3.545 129 HG3 LYS 16 3HG LYS 16 10.464 9.530 4.609 130 HD2 LYS 16 2HD LYS 16 12.688 9.152 4.128 131 HD3 LYS 16 3HD LYS 16 11.891 8.171 2.896 132 HE2 LYS 16 2HE LYS 16 12.228 10.863 1.954 133 HE3 LYS 16 3HE LYS 16 13.771 10.222 2.515 134 HZ1 LYS 16 1HZ LYS 16 13.872 9.286 0.509 135 HZ2 LYS 16 2HZ LYS 16 12.224 9.507 0.200 136 HZ3 LYS 16 3HZ LYS 16 12.744 8.167 1.092 137 H SER 17 H SER 17 7.415 10.815 0.991 138 HA SER 17 HA SER 17 8.166 13.453 1.273 139 HB2 SER 17 2HB SER 17 5.558 12.766 -0.049 140 HB3 SER 17 3HB SER 17 6.784 13.932 -0.548 141 HG SER 17 HG SER 17 7.206 12.302 -1.871 142 H ARG 18 H ARG 18 4.868 12.215 1.856 143 HA ARG 18 HA ARG 18 4.492 14.418 3.777 144 HB2 ARG 18 2HB ARG 18 2.908 13.566 1.552 145 HB3 ARG 18 3HB ARG 18 1.986 13.317 3.029 146 HG2 ARG 18 2HG ARG 18 2.465 15.684 3.644 147 HG3 ARG 18 3HG ARG 18 3.198 15.890 2.052 148 HD2 ARG 18 2HD ARG 18 0.553 14.674 1.946 149 HD3 ARG 18 3HD ARG 18 0.545 16.277 2.679 150 HE ARG 18 HE ARG 18 2.060 16.309 0.297 151 HH11 ARG 18 1HH1 ARG 18 -1.225 16.125 1.435 152 HH12 ARG 18 2HH1 ARG 18 -1.896 16.855 0.014 153 HH21 ARG 18 1HH2 ARG 18 1.188 17.271 -1.579 154 HH22 ARG 18 2HH2 ARG 18 -0.523 17.505 -1.700 Start of MODEL 18 1 H1 VAL 1 H VAL 1 -0.939 -0.465 -1.992 2 HA VAL 1 HA VAL 1 1.367 -1.408 -1.403 3 HB VAL 1 HB VAL 1 0.261 -1.911 -3.569 4 HG11 VAL 1 1HG1 VAL 1 0.437 -0.593 -5.442 5 HG12 VAL 1 2HG1 VAL 1 0.357 0.638 -4.180 6 HG13 VAL 1 3HG1 VAL 1 1.913 0.194 -4.884 7 HG21 VAL 1 1HG2 VAL 1 2.172 -2.785 -4.574 8 HG22 VAL 1 2HG2 VAL 1 3.173 -1.418 -4.085 9 HG23 VAL 1 3HG2 VAL 1 2.648 -2.601 -2.886 10 H ALA 2 H ALA 2 3.523 -0.968 -1.255 11 HA ALA 2 HA ALA 2 4.354 1.793 -1.875 12 HB1 ALA 2 1HB ALA 2 5.161 2.078 0.185 13 HB2 ALA 2 2HB ALA 2 4.219 0.654 0.628 14 HB3 ALA 2 3HB ALA 2 5.921 0.486 0.198 15 H ARG 3 H ARG 3 5.294 -1.599 -1.733 16 HA ARG 3 HA ARG 3 7.948 -1.449 -2.473 17 HB2 ARG 3 2HB ARG 3 7.603 -3.703 -3.503 18 HB3 ARG 3 3HB ARG 3 6.989 -3.559 -1.862 19 HG2 ARG 3 2HG ARG 3 4.723 -3.261 -2.742 20 HG3 ARG 3 3HG ARG 3 5.349 -3.435 -4.383 21 HD2 ARG 3 2HD ARG 3 4.955 -5.618 -4.160 22 HD3 ARG 3 3HD ARG 3 6.343 -5.651 -3.074 23 HE ARG 3 HE ARG 3 4.017 -4.917 -1.652 24 HH11 ARG 3 1HH1 ARG 3 5.540 -7.663 -3.156 25 HH12 ARG 3 2HH1 ARG 3 4.788 -8.819 -2.107 26 HH21 ARG 3 1HH2 ARG 3 3.021 -6.429 -0.265 27 HH22 ARG 3 2HH2 ARG 3 3.355 -8.116 -0.464 28 H GLY 4 H GLY 4 5.093 -0.941 -4.407 29 HA2 GLY 4 2HA GLY 4 6.815 -0.571 -6.781 30 HA3 GLY 4 3HA GLY 4 5.135 -1.082 -6.862 31 H TRP 5 H TRP 5 5.650 1.262 -4.486 32 HA TRP 5 HA TRP 5 4.702 3.369 -6.317 33 HB2 TRP 5 2HB TRP 5 3.224 2.371 -4.330 34 HB3 TRP 5 3HB TRP 5 4.138 3.554 -3.398 35 HD1 TRP 5 HD1 TRP 5 1.384 3.271 -5.995 36 HE1 TRP 5 HE1 TRP 5 0.323 5.588 -6.352 37 HE3 TRP 5 HE3 TRP 5 4.709 6.103 -3.338 38 HZ2 TRP 5 HZ2 TRP 5 0.829 8.263 -5.606 39 HZ3 TRP 5 HZ3 TRP 5 4.348 8.534 -3.209 40 HH2 TRP 5 HH2 TRP 5 2.448 9.590 -4.321 41 H GLY 6 H GLY 6 6.965 2.471 -3.851 42 HA2 GLY 6 2HA GLY 6 7.862 5.153 -3.305 43 HA3 GLY 6 3HA GLY 6 8.624 3.665 -2.762 44 H ARG 7 H ARG 7 9.556 2.360 -4.742 45 HA ARG 7 HA ARG 7 11.718 3.824 -5.732 46 HB2 ARG 7 2HB ARG 7 10.522 1.196 -6.607 47 HB3 ARG 7 3HB ARG 7 12.001 1.847 -7.301 48 HG2 ARG 7 2HG ARG 7 12.237 1.912 -4.469 49 HG3 ARG 7 3HG ARG 7 11.686 0.307 -4.955 50 HD2 ARG 7 2HD ARG 7 13.893 -0.060 -5.248 51 HD3 ARG 7 3HD ARG 7 13.598 0.724 -6.800 52 HE ARG 7 HE ARG 7 14.198 2.733 -4.991 53 HH11 ARG 7 1HH1 ARG 7 15.765 -0.063 -6.348 54 HH12 ARG 7 2HH1 ARG 7 17.358 0.608 -6.226 55 HH21 ARG 7 1HH2 ARG 7 16.289 3.628 -4.825 56 HH22 ARG 7 2HH2 ARG 7 17.655 2.708 -5.359 57 H LYS 8 H LYS 8 8.579 3.110 -7.139 58 HA LYS 8 HA LYS 8 9.195 4.059 -9.752 59 HB2 LYS 8 2HB LYS 8 7.167 2.601 -8.744 60 HB3 LYS 8 3HB LYS 8 6.391 4.178 -8.794 61 HG2 LYS 8 2HG LYS 8 7.591 3.993 -11.264 62 HG3 LYS 8 3HG LYS 8 7.037 2.346 -10.953 63 HD2 LYS 8 2HD LYS 8 4.794 3.317 -10.371 64 HD3 LYS 8 3HD LYS 8 5.392 4.872 -10.955 65 HE2 LYS 8 2HE LYS 8 5.354 4.220 -13.134 66 HE3 LYS 8 3HE LYS 8 5.713 2.537 -12.751 67 HZ1 LYS 8 1HZ LYS 8 3.425 2.974 -13.614 68 HZ2 LYS 8 2HZ LYS 8 3.096 3.805 -12.178 69 HZ3 LYS 8 3HZ LYS 8 3.477 2.157 -12.133 70 H CYS 9 H CYS 9 7.382 5.486 -7.036 71 HA CYS 9 HA CYS 9 7.817 8.129 -8.263 72 HB2 CYS 9 2HB CYS 9 5.469 6.928 -6.900 73 HB3 CYS 9 3HB CYS 9 5.792 8.625 -6.566 74 HG CYS 9 HG CYS 9 5.722 7.642 -9.807 75 HA PRO 10 HA PRO 10 10.187 7.968 -4.270 76 HB2 PRO 10 2HB PRO 10 12.428 9.120 -5.280 77 HB3 PRO 10 3HB PRO 10 12.126 7.380 -5.353 78 HG2 PRO 10 2HG PRO 10 11.731 9.461 -7.468 79 HG3 PRO 10 3HG PRO 10 12.422 7.835 -7.614 80 HD2 PRO 10 2HD PRO 10 9.875 8.405 -8.333 81 HD3 PRO 10 3HD PRO 10 10.352 6.824 -7.681 82 H LEU 11 H LEU 11 10.385 10.576 -6.702 83 HA LEU 11 HA LEU 11 10.749 12.665 -4.857 84 HB2 LEU 11 2HB LEU 11 10.578 14.101 -6.645 85 HB3 LEU 11 3HB LEU 11 11.061 12.598 -7.428 86 HG LEU 11 HG LEU 11 8.421 12.353 -7.691 87 HD11 LEU 11 1HD1 LEU 11 8.474 15.216 -8.276 88 HD12 LEU 11 2HD1 LEU 11 8.525 14.831 -6.556 89 HD13 LEU 11 3HD1 LEU 11 7.205 14.224 -7.556 90 HD21 LEU 11 1HD2 LEU 11 10.377 13.861 -9.397 91 HD22 LEU 11 2HD2 LEU 11 8.722 13.555 -9.922 92 HD23 LEU 11 3HD2 LEU 11 9.803 12.204 -9.578 93 H PHE 12 H PHE 12 7.989 10.836 -5.646 94 HA PHE 12 HA PHE 12 6.236 12.846 -4.395 95 HB2 PHE 12 2HB PHE 12 5.924 11.289 -6.780 96 HB3 PHE 12 3HB PHE 12 4.677 10.824 -5.628 97 HD1 PHE 12 HD1 PHE 12 4.243 13.419 -4.254 98 HD2 PHE 12 HD2 PHE 12 4.738 12.494 -8.379 99 HE1 PHE 12 HE1 PHE 12 2.942 15.419 -4.855 100 HE2 PHE 12 HE2 PHE 12 3.439 14.493 -8.987 101 HZ PHE 12 HZ PHE 12 2.540 15.959 -7.224 102 H GLY 13 H GLY 13 7.944 10.240 -3.592 103 HA2 GLY 13 2HA GLY 13 6.206 8.412 -2.416 104 HA3 GLY 13 3HA GLY 13 7.840 8.740 -1.859 105 H LYS 14 H LYS 14 4.472 9.747 -1.576 106 HA LYS 14 HA LYS 14 4.529 11.704 0.291 107 HB2 LYS 14 2HB LYS 14 2.686 9.346 0.007 108 HB3 LYS 14 3HB LYS 14 2.438 10.535 1.279 109 HG2 LYS 14 2HG LYS 14 1.906 12.217 -0.212 110 HG3 LYS 14 3HG LYS 14 2.724 11.421 -1.559 111 HD2 LYS 14 2HD LYS 14 0.678 10.761 -2.184 112 HD3 LYS 14 3HD LYS 14 0.798 9.593 -0.865 113 HE2 LYS 14 2HE LYS 14 -0.076 11.656 0.546 114 HE3 LYS 14 3HE LYS 14 -0.716 12.149 -1.021 115 HZ1 LYS 14 1HZ LYS 14 -1.373 9.755 0.571 116 HZ2 LYS 14 2HZ LYS 14 -1.635 9.770 -1.100 117 HZ3 LYS 14 3HZ LYS 14 -2.417 10.899 -0.111 118 H ASN 15 H ASN 15 5.185 8.296 0.836 119 HA ASN 15 HA ASN 15 5.064 8.009 3.529 120 HB2 ASN 15 2HB ASN 15 6.334 6.654 1.428 121 HB3 ASN 15 3HB ASN 15 7.599 6.954 2.615 122 HD21 ASN 15 1HD2 ASN 15 7.635 5.804 4.460 123 HD22 ASN 15 2HD2 ASN 15 6.483 4.584 4.871 124 H LYS 16 H LYS 16 7.546 9.736 1.722 125 HA LYS 16 HA LYS 16 8.659 10.689 4.280 126 HB2 LYS 16 2HB LYS 16 10.132 9.270 2.702 127 HB3 LYS 16 3HB LYS 16 10.171 10.700 1.679 128 HG2 LYS 16 2HG LYS 16 11.252 11.979 3.366 129 HG3 LYS 16 3HG LYS 16 11.001 10.712 4.569 130 HD2 LYS 16 2HD LYS 16 12.407 9.739 2.221 131 HD3 LYS 16 3HD LYS 16 13.257 11.073 3.005 132 HE2 LYS 16 2HE LYS 16 12.228 9.163 4.927 133 HE3 LYS 16 3HE LYS 16 13.302 8.401 3.755 134 HZ1 LYS 16 1HZ LYS 16 13.939 10.140 5.917 135 HZ2 LYS 16 2HZ LYS 16 14.558 10.734 4.459 136 HZ3 LYS 16 3HZ LYS 16 14.965 9.176 4.978 137 H SER 17 H SER 17 7.735 11.563 0.993 138 HA SER 17 HA SER 17 8.457 14.222 0.924 139 HB2 SER 17 2HB SER 17 5.793 13.381 -0.170 140 HB3 SER 17 3HB SER 17 6.995 14.462 -0.874 141 HG SER 17 HG SER 17 8.313 12.362 -0.853 142 H ARG 18 H ARG 18 5.169 13.093 1.731 143 HA ARG 18 HA ARG 18 4.649 15.597 3.110 144 HB2 ARG 18 2HB ARG 18 2.887 13.208 2.539 145 HB3 ARG 18 3HB ARG 18 2.346 14.663 3.365 146 HG2 ARG 18 2HG ARG 18 3.017 15.954 1.320 147 HG3 ARG 18 3HG ARG 18 3.269 14.403 0.517 148 HD2 ARG 18 2HD ARG 18 1.017 13.875 0.547 149 HD3 ARG 18 3HD ARG 18 0.677 14.961 1.893 150 HE ARG 18 HE ARG 18 1.458 16.599 -0.157 151 HH11 ARG 18 1HH1 ARG 18 -1.021 14.198 0.304 152 HH12 ARG 18 2HH1 ARG 18 -2.136 14.951 -0.788 153 HH21 ARG 18 1HH2 ARG 18 -0.001 17.599 -1.597 154 HH22 ARG 18 2HH2 ARG 18 -1.554 16.885 -1.869 Start of MODEL 19 1 H1 VAL 1 H VAL 1 0.891 1.949 -1.814 2 HA VAL 1 HA VAL 1 2.623 -0.107 -0.623 3 HB VAL 1 HB VAL 1 3.038 -1.052 -2.867 4 HG11 VAL 1 1HG1 VAL 1 1.101 -1.713 -1.182 5 HG12 VAL 1 2HG1 VAL 1 0.092 -1.235 -2.549 6 HG13 VAL 1 3HG1 VAL 1 1.293 -2.513 -2.742 7 HG21 VAL 1 1HG2 VAL 1 0.754 -0.221 -4.278 8 HG22 VAL 1 2HG2 VAL 1 1.533 1.246 -3.686 9 HG23 VAL 1 3HG2 VAL 1 2.443 0.101 -4.671 10 H ALA 2 H ALA 2 4.827 0.076 -1.086 11 HA ALA 2 HA ALA 2 5.624 2.613 -2.361 12 HB1 ALA 2 1HB ALA 2 7.594 1.631 -0.504 13 HB2 ALA 2 2HB ALA 2 6.774 3.192 -0.551 14 HB3 ALA 2 3HB ALA 2 6.030 1.830 0.287 15 H ARG 3 H ARG 3 6.406 -0.775 -1.814 16 HA ARG 3 HA ARG 3 8.847 -0.956 -3.107 17 HB2 ARG 3 2HB ARG 3 6.608 -2.989 -3.139 18 HB3 ARG 3 3HB ARG 3 8.297 -3.316 -3.501 19 HG2 ARG 3 2HG ARG 3 8.895 -3.353 -1.334 20 HG3 ARG 3 3HG ARG 3 7.782 -2.057 -0.894 21 HD2 ARG 3 2HD ARG 3 5.914 -3.724 -1.173 22 HD3 ARG 3 3HD ARG 3 7.152 -4.971 -1.312 23 HE ARG 3 HE ARG 3 7.715 -3.614 1.015 24 HH11 ARG 3 1HH1 ARG 3 5.034 -5.426 -0.269 25 HH12 ARG 3 2HH1 ARG 3 4.489 -5.970 1.283 26 HH21 ARG 3 1HH2 ARG 3 7.008 -4.324 3.064 27 HH22 ARG 3 2HH2 ARG 3 5.612 -5.342 3.178 28 H GLY 4 H GLY 4 5.663 -0.537 -4.438 29 HA2 GLY 4 2HA GLY 4 6.808 -0.758 -7.154 30 HA3 GLY 4 3HA GLY 4 5.135 -1.135 -6.771 31 H TRP 5 H TRP 5 5.993 1.491 -4.956 32 HA TRP 5 HA TRP 5 5.013 3.361 -7.014 33 HB2 TRP 5 2HB TRP 5 3.591 2.696 -4.844 34 HB3 TRP 5 3HB TRP 5 4.569 3.980 -4.139 35 HD1 TRP 5 HD1 TRP 5 1.707 3.387 -6.562 36 HE1 TRP 5 HE1 TRP 5 0.683 5.653 -7.224 37 HE3 TRP 5 HE3 TRP 5 5.194 6.492 -4.479 38 HZ2 TRP 5 HZ2 TRP 5 1.276 8.395 -6.906 39 HZ3 TRP 5 HZ3 TRP 5 4.892 8.923 -4.703 40 HH2 TRP 5 HH2 TRP 5 2.973 9.853 -5.892 41 H GLY 6 H GLY 6 6.604 3.466 -3.814 42 HA2 GLY 6 2HA GLY 6 7.865 5.910 -4.091 43 HA3 GLY 6 3HA GLY 6 8.479 4.590 -3.106 44 H ARG 7 H ARG 7 8.874 2.777 -5.328 45 HA ARG 7 HA ARG 7 11.516 3.408 -5.991 46 HB2 ARG 7 2HB ARG 7 10.296 1.133 -6.045 47 HB3 ARG 7 3HB ARG 7 9.803 1.594 -7.668 48 HG2 ARG 7 2HG ARG 7 12.305 1.976 -8.101 49 HG3 ARG 7 3HG ARG 7 12.552 1.035 -6.629 50 HD2 ARG 7 2HD ARG 7 10.795 0.013 -8.829 51 HD3 ARG 7 3HD ARG 7 12.545 -0.181 -8.911 52 HE ARG 7 HE ARG 7 11.509 -1.079 -6.418 53 HH11 ARG 7 1HH1 ARG 7 11.867 -1.962 -9.767 54 HH12 ARG 7 2HH1 ARG 7 11.836 -3.666 -9.456 55 HH21 ARG 7 1HH2 ARG 7 11.467 -3.321 -5.996 56 HH22 ARG 7 2HH2 ARG 7 11.608 -4.438 -7.311 57 H LYS 8 H LYS 8 8.551 3.665 -7.934 58 HA LYS 8 HA LYS 8 9.921 4.832 -10.169 59 HB2 LYS 8 2HB LYS 8 7.069 4.252 -9.480 60 HB3 LYS 8 3HB LYS 8 7.418 5.366 -10.795 61 HG2 LYS 8 2HG LYS 8 9.065 3.199 -11.298 62 HG3 LYS 8 3HG LYS 8 7.559 2.479 -10.727 63 HD2 LYS 8 2HD LYS 8 7.436 2.717 -13.114 64 HD3 LYS 8 3HD LYS 8 6.333 3.881 -12.377 65 HE2 LYS 8 2HE LYS 8 7.374 5.555 -13.400 66 HE3 LYS 8 3HE LYS 8 8.905 5.087 -12.662 67 HZ1 LYS 8 1HZ LYS 8 8.938 3.331 -14.531 68 HZ2 LYS 8 2HZ LYS 8 9.350 4.929 -14.902 69 HZ3 LYS 8 3HZ LYS 8 7.813 4.340 -15.293 70 H CYS 9 H CYS 9 7.633 6.061 -7.733 71 HA CYS 9 HA CYS 9 8.534 8.786 -8.394 72 HB2 CYS 9 2HB CYS 9 5.885 7.652 -7.748 73 HB3 CYS 9 3HB CYS 9 6.254 9.187 -6.973 74 HG CYS 9 HG CYS 9 6.927 10.375 -9.526 75 HA PRO 10 HA PRO 10 10.121 7.828 -4.144 76 HB2 PRO 10 2HB PRO 10 12.553 8.965 -4.547 77 HB3 PRO 10 3HB PRO 10 12.194 7.288 -4.973 78 HG2 PRO 10 2HG PRO 10 12.270 9.712 -6.727 79 HG3 PRO 10 3HG PRO 10 12.906 8.086 -7.037 80 HD2 PRO 10 2HD PRO 10 10.553 8.949 -8.062 81 HD3 PRO 10 3HD PRO 10 10.839 7.253 -7.625 82 H LEU 11 H LEU 11 10.859 10.780 -6.015 83 HA LEU 11 HA LEU 11 10.984 12.506 -3.803 84 HB2 LEU 11 2HB LEU 11 11.183 14.225 -5.317 85 HB3 LEU 11 3HB LEU 11 11.730 12.841 -6.261 86 HG LEU 11 HG LEU 11 9.166 12.829 -6.987 87 HD11 LEU 11 1HD1 LEU 11 9.167 15.068 -5.438 88 HD12 LEU 11 2HD1 LEU 11 8.029 14.741 -6.744 89 HD13 LEU 11 3HD1 LEU 11 9.450 15.741 -7.043 90 HD21 LEU 11 1HD2 LEU 11 10.840 12.891 -8.624 91 HD22 LEU 11 2HD2 LEU 11 11.454 14.447 -8.065 92 HD23 LEU 11 3HD2 LEU 11 9.901 14.358 -8.896 93 H PHE 12 H PHE 12 8.325 11.037 -5.343 94 HA PHE 12 HA PHE 12 6.470 12.932 -4.061 95 HB2 PHE 12 2HB PHE 12 6.508 11.812 -6.698 96 HB3 PHE 12 3HB PHE 12 5.061 11.256 -5.862 97 HD1 PHE 12 HD1 PHE 12 4.499 13.611 -4.152 98 HD2 PHE 12 HD2 PHE 12 5.679 13.350 -8.233 99 HE1 PHE 12 HE1 PHE 12 3.409 15.771 -4.601 100 HE2 PHE 12 HE2 PHE 12 4.592 15.510 -8.689 101 HZ PHE 12 HZ PHE 12 3.456 16.723 -6.872 102 H GLY 13 H GLY 13 7.899 10.105 -3.469 103 HA2 GLY 13 2HA GLY 13 5.918 8.235 -2.925 104 HA3 GLY 13 3HA GLY 13 7.436 8.363 -2.048 105 H LYS 14 H LYS 14 4.109 9.526 -2.179 106 HA LYS 14 HA LYS 14 3.902 11.143 -0.017 107 HB2 LYS 14 2HB LYS 14 2.116 9.409 -1.469 108 HB3 LYS 14 3HB LYS 14 1.710 9.393 0.243 109 HG2 LYS 14 2HG LYS 14 1.931 12.007 -0.038 110 HG3 LYS 14 3HG LYS 14 1.576 11.614 -1.722 111 HD2 LYS 14 2HD LYS 14 -0.103 10.550 0.529 112 HD3 LYS 14 3HD LYS 14 -0.396 12.145 -0.168 113 HE2 LYS 14 2HE LYS 14 -0.212 9.682 -1.875 114 HE3 LYS 14 3HE LYS 14 -1.723 10.162 -1.104 115 HZ1 LYS 14 1HZ LYS 14 -0.524 12.364 -2.431 116 HZ2 LYS 14 2HZ LYS 14 -2.056 11.685 -2.660 117 HZ3 LYS 14 3HZ LYS 14 -0.725 11.071 -3.504 118 H ASN 15 H ASN 15 4.324 7.658 0.025 119 HA ASN 15 HA ASN 15 3.697 6.937 2.565 120 HB2 ASN 15 2HB ASN 15 5.279 5.865 0.509 121 HB3 ASN 15 3HB ASN 15 6.309 5.867 1.937 122 HD21 ASN 15 1HD2 ASN 15 4.884 3.729 0.365 123 HD22 ASN 15 2HD2 ASN 15 4.036 2.816 1.562 124 H LYS 16 H LYS 16 6.527 8.767 1.544 125 HA LYS 16 HA LYS 16 7.199 9.195 4.382 126 HB2 LYS 16 2HB LYS 16 8.876 7.966 2.848 127 HB3 LYS 16 3HB LYS 16 9.153 9.544 2.122 128 HG2 LYS 16 2HG LYS 16 10.025 10.429 4.115 129 HG3 LYS 16 3HG LYS 16 9.412 9.080 5.075 130 HD2 LYS 16 2HD LYS 16 11.301 8.447 2.876 131 HD3 LYS 16 3HD LYS 16 11.957 9.247 4.307 132 HE2 LYS 16 2HE LYS 16 10.211 7.172 5.162 133 HE3 LYS 16 3HE LYS 16 11.303 6.507 3.947 134 HZ1 LYS 16 1HZ LYS 16 12.732 6.315 5.628 135 HZ2 LYS 16 2HZ LYS 16 11.856 7.353 6.636 136 HZ3 LYS 16 3HZ LYS 16 12.945 7.989 5.508 137 H SER 17 H SER 17 6.916 10.673 1.194 138 HA SER 17 HA SER 17 7.737 13.250 1.726 139 HB2 SER 17 2HB SER 17 5.301 12.696 0.044 140 HB3 SER 17 3HB SER 17 6.548 13.920 -0.196 141 HG SER 17 HG SER 17 7.546 12.517 -1.380 142 H ARG 18 H ARG 18 4.304 12.280 1.690 143 HA ARG 18 HA ARG 18 3.762 14.413 3.633 144 HB2 ARG 18 2HB ARG 18 2.474 13.697 1.274 145 HB3 ARG 18 3HB ARG 18 1.425 13.070 2.539 146 HG2 ARG 18 2HG ARG 18 1.014 15.178 3.420 147 HG3 ARG 18 3HG ARG 18 2.435 15.883 2.646 148 HD2 ARG 18 2HD ARG 18 1.387 15.690 0.473 149 HD3 ARG 18 3HD ARG 18 -0.003 14.873 1.186 150 HE ARG 18 HE ARG 18 0.477 17.685 1.101 151 HH11 ARG 18 1HH1 ARG 18 -1.001 15.144 2.966 152 HH12 ARG 18 2HH1 ARG 18 -2.166 16.189 3.710 153 HH21 ARG 18 1HH2 ARG 18 -1.051 19.071 2.074 154 HH22 ARG 18 2HH2 ARG 18 -2.194 18.423 3.201 Start of MODEL 20 1 H1 VAL 1 H VAL 1 -0.424 0.590 -1.498 2 HA VAL 1 HA VAL 1 1.300 -1.074 -1.069 3 HB VAL 1 HB VAL 1 2.763 -1.709 -3.015 4 HG11 VAL 1 1HG1 VAL 1 0.809 -3.157 -4.060 5 HG12 VAL 1 2HG1 VAL 1 1.418 -3.457 -2.432 6 HG13 VAL 1 3HG1 VAL 1 -0.068 -2.536 -2.662 7 HG21 VAL 1 1HG2 VAL 1 0.540 -0.957 -4.845 8 HG22 VAL 1 2HG2 VAL 1 1.694 0.288 -4.368 9 HG23 VAL 1 3HG2 VAL 1 2.258 -1.171 -5.183 10 H ALA 2 H ALA 2 3.494 -0.558 -0.697 11 HA ALA 2 HA ALA 2 4.248 2.177 -1.499 12 HB1 ALA 2 1HB ALA 2 4.595 2.753 0.622 13 HB2 ALA 2 2HB ALA 2 3.766 1.263 1.075 14 HB3 ALA 2 3HB ALA 2 5.524 1.288 0.941 15 H ARG 3 H ARG 3 5.301 -1.113 -0.912 16 HA ARG 3 HA ARG 3 8.058 -0.793 -1.184 17 HB2 ARG 3 2HB ARG 3 8.062 -3.184 -1.892 18 HB3 ARG 3 3HB ARG 3 7.148 -2.883 -0.419 19 HG2 ARG 3 2HG ARG 3 5.119 -3.277 -1.436 20 HG3 ARG 3 3HG ARG 3 5.741 -2.922 -3.049 21 HD2 ARG 3 2HD ARG 3 6.963 -5.214 -1.644 22 HD3 ARG 3 3HD ARG 3 5.284 -5.411 -2.144 23 HE ARG 3 HE ARG 3 6.675 -4.403 -4.325 24 HH11 ARG 3 1HH1 ARG 3 6.670 -7.270 -2.349 25 HH12 ARG 3 2HH1 ARG 3 7.230 -8.305 -3.621 26 HH21 ARG 3 1HH2 ARG 3 7.413 -5.756 -6.007 27 HH22 ARG 3 2HH2 ARG 3 7.653 -7.442 -5.701 28 H GLY 4 H GLY 4 5.533 -0.669 -3.546 29 HA2 GLY 4 2HA GLY 4 7.575 -0.527 -5.679 30 HA3 GLY 4 3HA GLY 4 5.960 -1.170 -5.933 31 H TRP 5 H TRP 5 5.709 1.400 -3.860 32 HA TRP 5 HA TRP 5 5.094 3.228 -6.088 33 HB2 TRP 5 2HB TRP 5 3.278 2.304 -4.378 34 HB3 TRP 5 3HB TRP 5 3.886 3.630 -3.391 35 HD1 TRP 5 HD1 TRP 5 1.809 2.914 -6.486 36 HE1 TRP 5 HE1 TRP 5 0.714 5.101 -7.288 37 HE3 TRP 5 HE3 TRP 5 4.269 6.212 -3.452 38 HZ2 TRP 5 HZ2 TRP 5 0.873 7.859 -6.712 39 HZ3 TRP 5 HZ3 TRP 5 3.740 8.608 -3.641 40 HH2 TRP 5 HH2 TRP 5 2.077 9.412 -5.238 41 H GLY 6 H GLY 6 7.012 2.735 -3.314 42 HA2 GLY 6 2HA GLY 6 7.526 5.572 -2.887 43 HA3 GLY 6 3HA GLY 6 8.199 4.239 -1.959 44 H ARG 7 H ARG 7 8.895 2.921 -4.618 45 HA ARG 7 HA ARG 7 11.478 4.251 -4.887 46 HB2 ARG 7 2HB ARG 7 10.924 1.643 -4.644 47 HB3 ARG 7 3HB ARG 7 10.860 1.767 -6.397 48 HG2 ARG 7 2HG ARG 7 13.150 2.929 -6.176 49 HG3 ARG 7 3HG ARG 7 13.174 2.219 -4.560 50 HD2 ARG 7 2HD ARG 7 12.436 0.394 -6.753 51 HD3 ARG 7 3HD ARG 7 14.099 0.979 -6.774 52 HE ARG 7 HE ARG 7 13.491 0.110 -4.182 53 HH11 ARG 7 1HH1 ARG 7 13.948 -1.179 -7.384 54 HH12 ARG 7 2HH1 ARG 7 14.507 -2.721 -6.825 55 HH21 ARG 7 1HH2 ARG 7 14.226 -1.916 -3.434 56 HH22 ARG 7 2HH2 ARG 7 14.664 -3.139 -4.578 57 H LYS 8 H LYS 8 8.720 3.247 -6.863 58 HA LYS 8 HA LYS 8 9.741 4.064 -9.352 59 HB2 LYS 8 2HB LYS 8 7.867 2.646 -9.420 60 HB3 LYS 8 3HB LYS 8 6.958 3.647 -8.294 61 HG2 LYS 8 2HG LYS 8 6.207 5.018 -9.910 62 HG3 LYS 8 3HG LYS 8 7.721 4.955 -10.816 63 HD2 LYS 8 2HD LYS 8 6.818 2.410 -11.116 64 HD3 LYS 8 3HD LYS 8 5.299 3.306 -11.057 65 HE2 LYS 8 2HE LYS 8 7.608 3.729 -12.946 66 HE3 LYS 8 3HE LYS 8 5.991 3.149 -13.344 67 HZ1 LYS 8 1HZ LYS 8 6.937 5.843 -12.982 68 HZ2 LYS 8 2HZ LYS 8 5.499 5.520 -12.151 69 HZ3 LYS 8 3HZ LYS 8 5.582 5.275 -13.823 70 H CYS 9 H CYS 9 7.429 5.734 -7.207 71 HA CYS 9 HA CYS 9 8.169 8.258 -8.528 72 HB2 CYS 9 2HB CYS 9 5.620 7.152 -7.607 73 HB3 CYS 9 3HB CYS 9 5.898 8.802 -7.063 74 HG CYS 9 HG CYS 9 4.376 9.071 -9.313 75 HA PRO 10 HA PRO 10 10.026 8.551 -4.322 76 HB2 PRO 10 2HB PRO 10 12.212 9.931 -5.151 77 HB3 PRO 10 3HB PRO 10 12.114 8.167 -5.199 78 HG2 PRO 10 2HG PRO 10 11.696 10.148 -7.404 79 HG3 PRO 10 3HG PRO 10 12.576 8.609 -7.435 80 HD2 PRO 10 2HD PRO 10 10.062 8.870 -8.408 81 HD3 PRO 10 3HD PRO 10 10.648 7.367 -7.666 82 H LEU 11 H LEU 11 10.155 11.114 -6.805 83 HA LEU 11 HA LEU 11 10.153 13.284 -5.046 84 HB2 LEU 11 2HB LEU 11 9.856 14.626 -6.893 85 HB3 LEU 11 3HB LEU 11 10.561 13.173 -7.597 86 HG LEU 11 HG LEU 11 7.987 12.571 -7.936 87 HD11 LEU 11 1HD1 LEU 11 7.739 15.423 -8.602 88 HD12 LEU 11 2HD1 LEU 11 7.678 15.040 -6.882 89 HD13 LEU 11 3HD1 LEU 11 6.536 14.286 -7.994 90 HD21 LEU 11 1HD2 LEU 11 8.237 13.795 -10.199 91 HD22 LEU 11 2HD2 LEU 11 9.372 12.507 -9.795 92 HD23 LEU 11 3HD2 LEU 11 9.854 14.195 -9.620 93 H PHE 12 H PHE 12 7.640 11.132 -5.915 94 HA PHE 12 HA PHE 12 5.642 12.930 -4.708 95 HB2 PHE 12 2HB PHE 12 5.578 11.411 -7.137 96 HB3 PHE 12 3HB PHE 12 4.342 10.794 -6.046 97 HD1 PHE 12 HD1 PHE 12 4.358 12.548 -8.754 98 HD2 PHE 12 HD2 PHE 12 3.576 13.281 -4.635 99 HE1 PHE 12 HE1 PHE 12 2.887 14.422 -9.370 100 HE2 PHE 12 HE2 PHE 12 2.103 15.155 -5.244 101 HZ PHE 12 HZ PHE 12 1.756 15.728 -7.614 102 H GLY 13 H GLY 13 7.574 10.485 -3.901 103 HA2 GLY 13 2HA GLY 13 5.992 8.461 -2.834 104 HA3 GLY 13 3HA GLY 13 7.559 8.942 -2.202 105 H LYS 14 H LYS 14 4.097 9.611 -2.048 106 HA LYS 14 HA LYS 14 3.854 11.507 -0.152 107 HB2 LYS 14 2HB LYS 14 1.805 10.406 0.614 108 HB3 LYS 14 3HB LYS 14 1.937 10.350 -1.138 109 HG2 LYS 14 2HG LYS 14 1.359 8.200 -0.827 110 HG3 LYS 14 3HG LYS 14 3.087 8.005 -0.526 111 HD2 LYS 14 2HD LYS 14 2.443 8.564 1.935 112 HD3 LYS 14 3HD LYS 14 0.819 8.100 1.423 113 HE2 LYS 14 2HE LYS 14 3.308 6.404 1.250 114 HE3 LYS 14 3HE LYS 14 1.983 6.201 2.395 115 HZ1 LYS 14 1HZ LYS 14 1.852 5.861 -0.551 116 HZ2 LYS 14 2HZ LYS 14 0.506 5.811 0.473 117 HZ3 LYS 14 3HZ LYS 14 1.723 4.645 0.618 118 H ASN 15 H ASN 15 4.791 8.155 0.425 119 HA ASN 15 HA ASN 15 4.663 7.858 3.101 120 HB2 ASN 15 2HB ASN 15 6.606 6.412 2.990 121 HB3 ASN 15 3HB ASN 15 5.647 6.202 1.528 122 HD21 ASN 15 1HD2 ASN 15 6.465 6.845 -0.429 123 HD22 ASN 15 2HD2 ASN 15 8.113 7.314 -0.650 124 H LYS 16 H LYS 16 7.111 9.742 1.375 125 HA LYS 16 HA LYS 16 8.026 10.812 3.962 126 HB2 LYS 16 2HB LYS 16 9.657 9.592 2.372 127 HB3 LYS 16 3HB LYS 16 9.557 11.044 1.383 128 HG2 LYS 16 2HG LYS 16 10.430 12.388 3.173 129 HG3 LYS 16 3HG LYS 16 10.391 11.010 4.276 130 HD2 LYS 16 2HD LYS 16 11.881 9.987 2.269 131 HD3 LYS 16 3HD LYS 16 12.322 11.692 2.153 132 HE2 LYS 16 2HE LYS 16 13.551 11.595 4.013 133 HE3 LYS 16 3HE LYS 16 12.280 10.752 4.898 134 HZ1 LYS 16 1HZ LYS 16 13.414 8.985 3.037 135 HZ2 LYS 16 2HZ LYS 16 13.430 8.886 4.725 136 HZ3 LYS 16 3HZ LYS 16 14.669 9.705 3.914 137 H SER 17 H SER 17 7.064 11.653 0.675 138 HA SER 17 HA SER 17 7.491 14.379 0.683 139 HB2 SER 17 2HB SER 17 4.962 13.282 -0.499 140 HB3 SER 17 3HB SER 17 6.060 14.498 -1.150 141 HG SER 17 HG SER 17 7.530 12.874 -1.623 142 H ARG 18 H ARG 18 4.457 12.736 1.596 143 HA ARG 18 HA ARG 18 3.652 15.164 3.035 144 HB2 ARG 18 2HB ARG 18 2.137 12.856 1.862 145 HB3 ARG 18 3HB ARG 18 1.411 13.832 3.132 146 HG2 ARG 18 2HG ARG 18 2.547 15.479 1.045 147 HG3 ARG 18 3HG ARG 18 1.360 14.336 0.411 148 HD2 ARG 18 2HD ARG 18 -0.361 15.221 1.675 149 HD3 ARG 18 3HD ARG 18 0.736 15.907 2.873 150 HE ARG 18 HE ARG 18 1.154 17.168 0.394 151 HH11 ARG 18 1HH1 ARG 18 -1.201 16.960 2.949 152 HH12 ARG 18 2HH1 ARG 18 -1.829 18.552 2.677 153 HH21 ARG 18 1HH2 ARG 18 0.335 19.265 0.026 154 HH22 ARG 18 2HH2 ARG 18 -0.955 19.862 1.014
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