NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630913 | 6aza | 30342 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 3.142 -0.021 -0.986 3 HB2 ARG 1 HB2 ARG 1 2.249 -1.162 -3.031 4 HB3 ARG 1 HB3 ARG 1 2.130 -2.114 -1.557 5 HG2 ARG 1 HG2 ARG 1 -0.204 -0.458 -2.359 6 HG3 ARG 1 HG3 ARG 1 0.129 -1.945 -3.251 7 HD2 ARG 1 HD2 ARG 1 0.351 -2.929 -0.805 8 HD3 ARG 1 HD3 ARG 1 -0.693 -1.562 -0.419 9 HE ARG 1 HE ARG 1 -1.846 -2.820 -2.587 10 HH11 ARG 1 HH11 ARG 1 -1.002 -3.650 0.687 11 HH12 ARG 1 HH12 ARG 1 -2.280 -4.807 0.861 12 HH21 ARG 1 HH21 ARG 1 -3.532 -4.341 -2.370 13 HH22 ARG 1 HH22 ARG 1 -3.718 -5.200 -0.879 14 H CYS 2 H CYS 2 2.118 2.404 -0.443 15 HA CYS 2 HA CYS 2 1.061 3.494 -2.947 16 HB2 CYS 2 HB2 CYS 2 0.119 4.029 -0.588 17 HB3 CYS 2 HB3 CYS 2 1.518 5.087 -0.439 18 H LYS 3 H LYS 3 3.837 3.679 -0.799 19 HA LYS 3 HA LYS 3 5.142 5.851 -2.025 20 HB2 LYS 3 HB2 LYS 3 5.687 4.805 0.215 21 HB3 LYS 3 HB3 LYS 3 6.492 3.515 -0.669 22 HG2 LYS 3 HG2 LYS 3 7.956 5.243 -1.713 23 HG3 LYS 3 HG3 LYS 3 7.227 6.432 -0.631 24 HD2 LYS 3 HD2 LYS 3 9.113 5.825 0.551 25 HD3 LYS 3 HD3 LYS 3 7.904 4.734 1.232 26 HE2 LYS 3 HE2 LYS 3 8.692 2.910 -0.047 27 HE3 LYS 3 HE3 LYS 3 9.661 3.958 -1.082 28 HZ1 LYS 3 HZ1 LYS 3 10.198 3.778 1.814 29 HZ2 LYS 3 HZ2 LYS 3 11.236 4.268 0.572 30 HZ3 LYS 3 HZ3 LYS 3 10.836 2.634 0.744 31 H THR 4 H THR 4 6.347 6.028 -3.817 32 HA THR 4 HA THR 4 7.057 3.557 -5.257 33 HB THR 4 HB THR 4 6.207 6.146 -6.566 34 HG1 THR 4 HG1 THR 4 4.759 3.701 -6.316 35 HG21 THR 4 HG21 THR 4 5.928 4.004 -8.327 36 HG22 THR 4 HG22 THR 4 7.473 3.726 -7.522 37 HG23 THR 4 HG23 THR 4 7.178 5.247 -8.364 38 H CYS 5 H CYS 5 9.016 3.532 -6.345 39 HA CYS 5 HA CYS 5 10.863 5.694 -5.599 40 HB2 CYS 5 HB2 CYS 5 11.161 2.758 -5.977 41 HB3 CYS 5 HB3 CYS 5 12.534 3.771 -6.412 42 H SER 6 H SER 6 11.513 7.046 -7.125 43 HA SER 6 HA SER 6 10.733 6.852 -9.812 44 HB2 SER 6 HB2 SER 6 13.120 8.484 -9.031 45 HB3 SER 6 HB3 SER 6 11.799 8.889 -10.126 46 HG SER 6 HG SER 6 10.739 9.697 -8.506 47 H LYS 7 H LYS 7 12.370 7.009 -11.659 48 HA LYS 7 HA LYS 7 13.818 4.567 -11.763 49 HB2 LYS 7 HB2 LYS 7 13.441 6.891 -13.610 50 HB3 LYS 7 HB3 LYS 7 14.702 5.715 -13.959 51 HG2 LYS 7 HG2 LYS 7 12.808 5.037 -15.180 52 HG3 LYS 7 HG3 LYS 7 12.922 3.937 -13.804 53 HD2 LYS 7 HD2 LYS 7 11.079 4.841 -12.757 54 HD3 LYS 7 HD3 LYS 7 11.255 6.401 -13.564 55 HE2 LYS 7 HE2 LYS 7 10.377 5.556 -15.591 56 HE3 LYS 7 HE3 LYS 7 10.511 3.887 -15.039 57 HZ1 LYS 7 HZ1 LYS 7 8.653 4.063 -13.752 58 HZ2 LYS 7 HZ2 LYS 7 8.234 5.135 -14.991 59 HZ3 LYS 7 HZ3 LYS 7 8.814 5.731 -13.518 60 H GLY 8 H GLY 8 15.397 4.594 -10.157 61 HA2 GLY 8 HA2 GLY 8 17.796 4.739 -9.992 62 HA3 GLY 8 HA3 GLY 8 17.713 6.302 -10.791 63 H ARG 9 H ARG 9 15.388 7.086 -9.092 64 HA ARG 9 HA ARG 9 16.910 7.668 -6.638 65 HB2 ARG 9 HB2 ARG 9 14.985 9.322 -8.241 66 HB3 ARG 9 HB3 ARG 9 15.251 9.665 -6.537 67 HG2 ARG 9 HG2 ARG 9 17.490 10.241 -6.882 68 HG3 ARG 9 HG3 ARG 9 17.531 9.477 -8.473 69 HD2 ARG 9 HD2 ARG 9 16.282 11.196 -9.456 70 HD3 ARG 9 HD3 ARG 9 15.716 11.795 -7.897 71 HE ARG 9 HE ARG 9 18.503 12.032 -7.979 72 HH11 ARG 9 HH11 ARG 9 15.677 13.377 -9.503 73 HH12 ARG 9 HH12 ARG 9 16.417 14.911 -9.820 74 HH21 ARG 9 HH21 ARG 9 19.489 14.047 -8.391 75 HH22 ARG 9 HH22 ARG 9 18.586 15.290 -9.188 76 H CYS 10 H CYS 10 15.760 7.766 -4.650 77 HA CYS 10 HA CYS 10 13.136 6.432 -4.672 78 HB2 CYS 10 HB2 CYS 10 15.628 5.661 -3.256 79 HB3 CYS 10 HB3 CYS 10 14.129 5.526 -2.342 80 H ARG 11 H ARG 11 11.730 7.899 -3.970 81 HA ARG 11 HA ARG 11 12.284 9.268 -1.447 82 HB2 ARG 11 HB2 ARG 11 11.823 10.566 -4.083 83 HB3 ARG 11 HB3 ARG 11 11.046 11.289 -2.681 84 HG2 ARG 11 HG2 ARG 11 12.996 12.443 -2.646 85 HG3 ARG 11 HG3 ARG 11 13.485 11.053 -1.674 86 HD2 ARG 11 HD2 ARG 11 15.217 11.096 -3.154 87 HD3 ARG 11 HD3 ARG 11 14.099 10.071 -4.053 88 HE ARG 11 HE ARG 11 13.859 11.742 -5.607 89 HH11 ARG 11 HH11 ARG 11 15.432 13.009 -2.772 90 HH12 ARG 11 HH12 ARG 11 15.828 14.526 -3.509 91 HH21 ARG 11 HH21 ARG 11 14.374 13.736 -6.589 92 HH22 ARG 11 HH22 ARG 11 15.225 14.939 -5.681 93 HA PRO 12 HA PRO 12 8.103 8.386 -0.458 94 HB2 PRO 12 HB2 PRO 12 7.353 10.586 0.946 95 HB3 PRO 12 HB3 PRO 12 8.474 9.376 1.582 96 HG2 PRO 12 HG2 PRO 12 9.063 12.032 0.333 97 HG3 PRO 12 HG3 PRO 12 9.789 11.284 1.768 98 HD2 PRO 12 HD2 PRO 12 11.003 11.276 -0.653 99 HD3 PRO 12 HD3 PRO 12 11.195 9.954 0.517 100 H LYS 13 H LYS 13 5.851 9.096 -0.699 101 HA LYS 13 HA LYS 13 5.469 10.437 -3.228 102 HB2 LYS 13 HB2 LYS 13 3.786 8.825 -1.379 103 HB3 LYS 13 HB3 LYS 13 2.961 9.951 -2.448 104 HG2 LYS 13 HG2 LYS 13 4.491 8.800 -4.265 105 HG3 LYS 13 HG3 LYS 13 4.475 7.482 -3.091 106 HD2 LYS 13 HD2 LYS 13 2.194 7.156 -3.292 107 HD3 LYS 13 HD3 LYS 13 1.909 8.795 -3.881 108 HE2 LYS 13 HE2 LYS 13 3.497 6.821 -5.485 109 HE3 LYS 13 HE3 LYS 13 1.735 6.835 -5.546 110 HZ1 LYS 13 HZ1 LYS 13 2.601 9.462 -5.853 111 HZ2 LYS 13 HZ2 LYS 13 1.859 8.474 -7.007 112 HZ3 LYS 13 HZ3 LYS 13 3.546 8.514 -6.888 113 HA PRO 14 HA PRO 14 4.318 14.422 -1.796 114 HB2 PRO 14 HB2 PRO 14 2.323 15.081 -3.516 115 HB3 PRO 14 HB3 PRO 14 4.023 15.012 -3.997 116 HG2 PRO 14 HG2 PRO 14 1.860 12.980 -4.389 117 HG3 PRO 14 HG3 PRO 14 3.108 13.519 -5.527 118 HD2 PRO 14 HD2 PRO 14 3.311 11.208 -4.131 119 HD3 PRO 14 HD3 PRO 14 4.727 12.178 -4.583 120 H ASN 15 H ASN 15 1.607 12.202 -2.349 121 HA ASN 15 HA ASN 15 0.093 13.576 -0.238 122 HB2 ASN 15 HB2 ASN 15 -0.823 11.650 -2.383 123 HB3 ASN 15 HB3 ASN 15 -1.867 12.315 -1.131 124 HD21 ASN 15 HD21 ASN 15 -2.611 12.718 -3.646 125 HD22 ASN 15 HD22 ASN 15 -2.346 14.356 -4.128 126 H CYS 16 H CYS 16 1.588 10.565 -1.126 127 HA CYS 16 HA CYS 16 0.520 9.259 1.274 128 HB2 CYS 16 HB2 CYS 16 1.663 8.282 -1.301 129 HB3 CYS 16 HB3 CYS 16 1.876 7.277 0.129 130 H GLY 17 H GLY 17 1.900 10.683 2.598 131 HA2 GLY 17 HA2 GLY 17 4.763 10.256 2.461 132 HA3 GLY 17 HA3 GLY 17 3.911 11.269 3.617 133 HN1 NH2 18 H1 NH2 18 4.841 7.968 2.835 134 HN2 NH2 18 H2 NH2 18 4.698 7.302 4.401 Start of MODEL 2 1 H1 ARG 1 H ARG 1 0.909 -0.220 -0.570 2 HA ARG 1 HA ARG 1 3.369 1.206 0.116 3 HB2 ARG 1 HB2 ARG 1 4.412 -0.255 -1.603 4 HB3 ARG 1 HB3 ARG 1 3.636 -1.155 -0.306 5 HG2 ARG 1 HG2 ARG 1 1.862 -1.826 -1.670 6 HG3 ARG 1 HG3 ARG 1 2.218 -0.595 -2.884 7 HD2 ARG 1 HD2 ARG 1 2.896 -2.808 -3.651 8 HD3 ARG 1 HD3 ARG 1 4.292 -1.750 -3.453 9 HE ARG 1 HE ARG 1 5.070 -3.141 -1.809 10 HH11 ARG 1 HH11 ARG 1 1.723 -3.866 -2.435 11 HH12 ARG 1 HH12 ARG 1 1.710 -5.288 -1.442 12 HH21 ARG 1 HH21 ARG 1 5.067 -5.009 -0.500 13 HH22 ARG 1 HH22 ARG 1 3.612 -5.935 -0.341 14 H CYS 2 H CYS 2 1.287 2.810 -0.835 15 HA CYS 2 HA CYS 2 1.178 3.305 -3.550 16 HB2 CYS 2 HB2 CYS 2 0.611 5.656 -2.918 17 HB3 CYS 2 HB3 CYS 2 -0.312 4.442 -2.037 18 H LYS 3 H LYS 3 3.618 4.272 -1.214 19 HA LYS 3 HA LYS 3 5.015 6.139 -2.748 20 HB2 LYS 3 HB2 LYS 3 6.938 5.631 -1.301 21 HB3 LYS 3 HB3 LYS 3 5.455 5.811 -0.374 22 HG2 LYS 3 HG2 LYS 3 5.288 3.261 -0.498 23 HG3 LYS 3 HG3 LYS 3 6.978 3.311 -1.005 24 HD2 LYS 3 HD2 LYS 3 7.603 4.437 1.037 25 HD3 LYS 3 HD3 LYS 3 5.912 4.555 1.529 26 HE2 LYS 3 HE2 LYS 3 6.779 2.735 2.737 27 HE3 LYS 3 HE3 LYS 3 5.866 2.014 1.413 28 HZ1 LYS 3 HZ1 LYS 3 8.755 2.075 1.862 29 HZ2 LYS 3 HZ2 LYS 3 8.210 2.120 0.262 30 HZ3 LYS 3 HZ3 LYS 3 7.782 0.827 1.266 31 H THR 4 H THR 4 6.396 6.005 -4.412 32 HA THR 4 HA THR 4 7.411 3.355 -5.187 33 HB THR 4 HB THR 4 5.454 3.969 -6.608 34 HG1 THR 4 HG1 THR 4 6.819 2.641 -7.661 35 HG21 THR 4 HG21 THR 4 6.245 6.486 -6.524 36 HG22 THR 4 HG22 THR 4 5.373 5.852 -7.919 37 HG23 THR 4 HG23 THR 4 7.127 6.020 -7.978 38 H CYS 5 H CYS 5 9.325 3.402 -6.519 39 HA CYS 5 HA CYS 5 10.821 5.934 -6.353 40 HB2 CYS 5 HB2 CYS 5 11.941 3.165 -5.864 41 HB3 CYS 5 HB3 CYS 5 12.849 4.673 -5.822 42 H SER 6 H SER 6 11.469 6.625 -8.273 43 HA SER 6 HA SER 6 11.212 5.004 -10.612 44 HB2 SER 6 HB2 SER 6 11.004 7.628 -10.273 45 HB3 SER 6 HB3 SER 6 12.722 7.581 -10.673 46 HG SER 6 HG SER 6 10.534 6.699 -12.237 47 H LYS 7 H LYS 7 13.068 4.990 -12.252 48 HA LYS 7 HA LYS 7 15.181 3.456 -11.199 49 HB2 LYS 7 HB2 LYS 7 16.181 3.739 -13.500 50 HB3 LYS 7 HB3 LYS 7 14.549 3.085 -13.463 51 HG2 LYS 7 HG2 LYS 7 13.718 4.797 -14.621 52 HG3 LYS 7 HG3 LYS 7 14.610 5.989 -13.673 53 HD2 LYS 7 HD2 LYS 7 16.611 5.565 -14.986 54 HD3 LYS 7 HD3 LYS 7 15.771 4.307 -15.896 55 HE2 LYS 7 HE2 LYS 7 15.391 5.971 -17.363 56 HE3 LYS 7 HE3 LYS 7 14.087 6.391 -16.253 57 HZ1 LYS 7 HZ1 LYS 7 15.164 8.216 -15.537 58 HZ2 LYS 7 HZ2 LYS 7 15.954 8.108 -17.029 59 HZ3 LYS 7 HZ3 LYS 7 16.698 7.506 -15.634 60 H GLY 8 H GLY 8 16.430 4.460 -9.686 61 HA2 GLY 8 HA2 GLY 8 18.576 5.559 -9.472 62 HA3 GLY 8 HA3 GLY 8 18.034 6.735 -10.659 63 H ARG 9 H ARG 9 15.363 6.892 -9.337 64 HA ARG 9 HA ARG 9 16.183 8.547 -7.040 65 HB2 ARG 9 HB2 ARG 9 14.060 8.951 -9.130 66 HB3 ARG 9 HB3 ARG 9 13.946 9.747 -7.566 67 HG2 ARG 9 HG2 ARG 9 15.815 11.061 -7.952 68 HG3 ARG 9 HG3 ARG 9 16.430 9.988 -9.210 69 HD2 ARG 9 HD2 ARG 9 15.382 11.156 -10.781 70 HD3 ARG 9 HD3 ARG 9 13.840 10.952 -9.951 71 HE ARG 9 HE ARG 9 15.543 13.272 -9.908 72 HH11 ARG 9 HH11 ARG 9 13.022 11.525 -8.261 73 HH12 ARG 9 HH12 ARG 9 12.427 12.917 -7.420 74 HH21 ARG 9 HH21 ARG 9 14.769 15.112 -8.805 75 HH22 ARG 9 HH22 ARG 9 13.421 14.958 -7.731 76 H CYS 10 H CYS 10 15.066 8.383 -5.135 77 HA CYS 10 HA CYS 10 12.698 6.702 -4.986 78 HB2 CYS 10 HB2 CYS 10 14.658 5.164 -4.750 79 HB3 CYS 10 HB3 CYS 10 15.144 6.073 -3.324 80 H ARG 11 H ARG 11 11.334 8.018 -3.974 81 HA ARG 11 HA ARG 11 12.005 9.005 -1.337 82 HB2 ARG 11 HB2 ARG 11 11.681 10.787 -3.703 83 HB3 ARG 11 HB3 ARG 11 10.994 11.316 -2.174 84 HG2 ARG 11 HG2 ARG 11 13.218 11.028 -1.126 85 HG3 ARG 11 HG3 ARG 11 13.874 10.636 -2.718 86 HD2 ARG 11 HD2 ARG 11 13.511 12.794 -3.529 87 HD3 ARG 11 HD3 ARG 11 12.361 13.180 -2.250 88 HE ARG 11 HE ARG 11 15.218 13.420 -2.137 89 HH11 ARG 11 HH11 ARG 11 12.313 12.993 -0.266 90 HH12 ARG 11 HH12 ARG 11 12.997 13.644 1.186 91 HH21 ARG 11 HH21 ARG 11 16.129 14.282 -0.231 92 HH22 ARG 11 HH22 ARG 11 15.167 14.379 1.204 93 HA PRO 12 HA PRO 12 7.742 8.341 -0.543 94 HB2 PRO 12 HB2 PRO 12 7.158 10.318 1.223 95 HB3 PRO 12 HB3 PRO 12 8.154 8.919 1.642 96 HG2 PRO 12 HG2 PRO 12 8.999 11.690 0.886 97 HG3 PRO 12 HG3 PRO 12 9.627 10.640 2.170 98 HD2 PRO 12 HD2 PRO 12 10.887 10.947 -0.207 99 HD3 PRO 12 HD3 PRO 12 10.938 9.428 0.711 100 H LYS 13 H LYS 13 5.602 9.124 -0.881 101 HA LYS 13 HA LYS 13 5.435 11.084 -2.996 102 HB2 LYS 13 HB2 LYS 13 3.809 8.901 -1.997 103 HB3 LYS 13 HB3 LYS 13 2.840 10.342 -2.272 104 HG2 LYS 13 HG2 LYS 13 3.068 10.235 -4.510 105 HG3 LYS 13 HG3 LYS 13 4.724 9.632 -4.422 106 HD2 LYS 13 HD2 LYS 13 3.376 7.521 -3.408 107 HD3 LYS 13 HD3 LYS 13 2.173 8.163 -4.528 108 HE2 LYS 13 HE2 LYS 13 4.407 8.261 -6.058 109 HE3 LYS 13 HE3 LYS 13 4.752 6.850 -5.059 110 HZ1 LYS 13 HZ1 LYS 13 2.073 6.884 -6.092 111 HZ2 LYS 13 HZ2 LYS 13 3.227 5.647 -6.121 112 HZ3 LYS 13 HZ3 LYS 13 3.248 6.849 -7.309 113 HA PRO 14 HA PRO 14 4.138 14.571 -0.671 114 HB2 PRO 14 HB2 PRO 14 2.297 15.692 -2.322 115 HB3 PRO 14 HB3 PRO 14 4.033 15.724 -2.657 116 HG2 PRO 14 HG2 PRO 14 1.926 13.901 -3.754 117 HG3 PRO 14 HG3 PRO 14 3.264 14.701 -4.598 118 HD2 PRO 14 HD2 PRO 14 3.359 12.101 -3.847 119 HD3 PRO 14 HD3 PRO 14 4.804 13.130 -3.904 120 H ASN 15 H ASN 15 1.560 12.520 -1.950 121 HA ASN 15 HA ASN 15 -0.324 13.502 0.038 122 HB2 ASN 15 HB2 ASN 15 -0.774 11.279 -1.955 123 HB3 ASN 15 HB3 ASN 15 -1.989 12.241 -1.118 124 HD21 ASN 15 HD21 ASN 15 -0.582 11.782 -3.999 125 HD22 ASN 15 HD22 ASN 15 -0.769 13.354 -4.689 126 H CYS 16 H CYS 16 1.733 10.765 -0.562 127 HA CYS 16 HA CYS 16 0.489 9.078 1.412 128 HB2 CYS 16 HB2 CYS 16 3.071 8.850 -0.139 129 HB3 CYS 16 HB3 CYS 16 2.528 7.639 1.019 130 H GLY 17 H GLY 17 0.564 9.909 3.436 131 HA2 GLY 17 HA2 GLY 17 3.092 11.000 4.435 132 HA3 GLY 17 HA3 GLY 17 1.527 11.121 5.227 133 HN1 NH2 18 H1 NH2 18 3.859 8.623 4.208 134 HN2 NH2 18 H2 NH2 18 3.748 7.639 5.600 Start of MODEL 3 1 H1 ARG 1 H ARG 1 -1.333 7.475 -3.752 2 HA ARG 1 HA ARG 1 -1.631 4.674 -3.135 3 HB2 ARG 1 HB2 ARG 1 -0.873 3.941 -5.412 4 HB3 ARG 1 HB3 ARG 1 -2.511 4.581 -5.356 5 HG2 ARG 1 HG2 ARG 1 -1.581 6.774 -6.137 6 HG3 ARG 1 HG3 ARG 1 -0.042 5.948 -6.390 7 HD2 ARG 1 HD2 ARG 1 -0.957 4.542 -8.051 8 HD3 ARG 1 HD3 ARG 1 -2.610 4.984 -7.620 9 HE ARG 1 HE ARG 1 -1.479 7.334 -8.394 10 HH11 ARG 1 HH11 ARG 1 -1.813 4.192 -9.857 11 HH12 ARG 1 HH12 ARG 1 -1.857 4.806 -11.475 12 HH21 ARG 1 HH21 ARG 1 -1.537 8.155 -10.522 13 HH22 ARG 1 HH22 ARG 1 -1.700 7.060 -11.853 14 H CYS 2 H CYS 2 0.215 3.974 -2.284 15 HA CYS 2 HA CYS 2 2.583 5.639 -2.473 16 HB2 CYS 2 HB2 CYS 2 2.135 3.097 -0.894 17 HB3 CYS 2 HB3 CYS 2 3.487 4.209 -0.715 18 H LYS 3 H LYS 3 2.737 5.079 -4.830 19 HA LYS 3 HA LYS 3 3.439 2.489 -5.693 20 HB2 LYS 3 HB2 LYS 3 3.831 5.238 -6.842 21 HB3 LYS 3 HB3 LYS 3 4.512 3.825 -7.638 22 HG2 LYS 3 HG2 LYS 3 2.341 2.873 -7.951 23 HG3 LYS 3 HG3 LYS 3 1.594 4.132 -6.967 24 HD2 LYS 3 HD2 LYS 3 1.240 4.594 -9.322 25 HD3 LYS 3 HD3 LYS 3 2.302 5.815 -8.619 26 HE2 LYS 3 HE2 LYS 3 4.249 4.599 -9.516 27 HE3 LYS 3 HE3 LYS 3 3.158 3.432 -10.259 28 HZ1 LYS 3 HZ1 LYS 3 2.735 4.809 -11.940 29 HZ2 LYS 3 HZ2 LYS 3 4.079 5.698 -11.428 30 HZ3 LYS 3 HZ3 LYS 3 2.527 6.151 -10.929 31 H THR 4 H THR 4 5.573 1.866 -6.581 32 HA THR 4 HA THR 4 7.594 2.165 -4.588 33 HB THR 4 HB THR 4 8.991 0.774 -6.108 34 HG1 THR 4 HG1 THR 4 6.697 0.642 -7.780 35 HG21 THR 4 HG21 THR 4 6.254 -0.447 -5.947 36 HG22 THR 4 HG22 THR 4 7.190 -0.114 -4.490 37 HG23 THR 4 HG23 THR 4 7.825 -1.213 -5.713 38 H CYS 5 H CYS 5 9.717 3.002 -4.869 39 HA CYS 5 HA CYS 5 9.828 5.537 -6.063 40 HB2 CYS 5 HB2 CYS 5 12.007 3.703 -5.062 41 HB3 CYS 5 HB3 CYS 5 12.316 5.341 -5.630 42 H SER 6 H SER 6 11.400 6.245 -7.720 43 HA SER 6 HA SER 6 11.146 4.575 -10.071 44 HB2 SER 6 HB2 SER 6 12.010 7.405 -9.566 45 HB3 SER 6 HB3 SER 6 12.380 6.633 -11.109 46 HG SER 6 HG SER 6 10.059 7.677 -10.260 47 H LYS 7 H LYS 7 13.092 4.498 -11.589 48 HA LYS 7 HA LYS 7 15.193 3.107 -10.264 49 HB2 LYS 7 HB2 LYS 7 14.682 3.928 -13.107 50 HB3 LYS 7 HB3 LYS 7 16.227 3.227 -12.643 51 HG2 LYS 7 HG2 LYS 7 15.085 1.228 -11.837 52 HG3 LYS 7 HG3 LYS 7 13.531 1.932 -12.286 53 HD2 LYS 7 HD2 LYS 7 14.284 2.027 -14.633 54 HD3 LYS 7 HD3 LYS 7 15.799 1.256 -14.161 55 HE2 LYS 7 HE2 LYS 7 14.450 -0.482 -14.994 56 HE3 LYS 7 HE3 LYS 7 14.374 -0.634 -13.239 57 HZ1 LYS 7 HZ1 LYS 7 12.270 0.774 -13.447 58 HZ2 LYS 7 HZ2 LYS 7 12.182 -0.847 -13.919 59 HZ3 LYS 7 HZ3 LYS 7 12.304 0.367 -15.089 60 H GLY 8 H GLY 8 16.502 4.275 -8.969 61 HA2 GLY 8 HA2 GLY 8 18.527 5.499 -8.790 62 HA3 GLY 8 HA3 GLY 8 18.105 6.364 -10.260 63 H ARG 9 H ARG 9 15.338 6.819 -9.238 64 HA ARG 9 HA ARG 9 15.998 8.975 -7.340 65 HB2 ARG 9 HB2 ARG 9 14.005 8.851 -9.593 66 HB3 ARG 9 HB3 ARG 9 13.854 10.028 -8.296 67 HG2 ARG 9 HG2 ARG 9 15.820 11.130 -8.902 68 HG3 ARG 9 HG3 ARG 9 16.383 9.771 -9.877 69 HD2 ARG 9 HD2 ARG 9 15.655 11.413 -11.410 70 HD3 ARG 9 HD3 ARG 9 14.388 10.187 -11.373 71 HE ARG 9 HE ARG 9 13.868 12.287 -9.524 72 HH11 ARG 9 HH11 ARG 9 13.720 11.441 -12.898 73 HH12 ARG 9 HH12 ARG 9 12.433 12.545 -13.253 74 HH21 ARG 9 HH21 ARG 9 12.174 13.746 -9.979 75 HH22 ARG 9 HH22 ARG 9 11.555 13.857 -11.591 76 H CYS 10 H CYS 10 15.160 8.776 -5.378 77 HA CYS 10 HA CYS 10 12.549 7.500 -5.041 78 HB2 CYS 10 HB2 CYS 10 14.233 5.738 -4.662 79 HB3 CYS 10 HB3 CYS 10 14.997 6.740 -3.432 80 H ARG 11 H ARG 11 11.373 9.064 -4.150 81 HA ARG 11 HA ARG 11 12.405 10.385 -1.748 82 HB2 ARG 11 HB2 ARG 11 11.541 11.696 -4.279 83 HB3 ARG 11 HB3 ARG 11 11.082 12.463 -2.765 84 HG2 ARG 11 HG2 ARG 11 13.064 13.506 -3.129 85 HG3 ARG 11 HG3 ARG 11 13.640 12.109 -2.219 86 HD2 ARG 11 HD2 ARG 11 14.513 11.083 -4.090 87 HD3 ARG 11 HD3 ARG 11 13.432 11.936 -5.190 88 HE ARG 11 HE ARG 11 14.956 13.643 -5.315 89 HH11 ARG 11 HH11 ARG 11 15.749 11.589 -2.619 90 HH12 ARG 11 HH12 ARG 11 17.271 12.360 -2.312 91 HH21 ARG 11 HH21 ARG 11 16.955 14.665 -4.921 92 HH22 ARG 11 HH22 ARG 11 17.955 14.111 -3.622 93 HA PRO 12 HA PRO 12 8.418 9.711 -0.047 94 HB2 PRO 12 HB2 PRO 12 8.024 11.950 1.437 95 HB3 PRO 12 HB3 PRO 12 9.180 10.690 1.887 96 HG2 PRO 12 HG2 PRO 12 9.669 13.309 0.524 97 HG3 PRO 12 HG3 PRO 12 10.595 12.533 1.821 98 HD2 PRO 12 HD2 PRO 12 11.373 12.456 -0.772 99 HD3 PRO 12 HD3 PRO 12 11.702 11.131 0.365 100 H LYS 13 H LYS 13 6.291 10.017 -0.508 101 HA LYS 13 HA LYS 13 5.640 11.890 -2.609 102 HB2 LYS 13 HB2 LYS 13 4.304 9.568 -1.316 103 HB3 LYS 13 HB3 LYS 13 3.273 10.771 -2.079 104 HG2 LYS 13 HG2 LYS 13 3.990 10.259 -4.178 105 HG3 LYS 13 HG3 LYS 13 5.584 9.739 -3.630 106 HD2 LYS 13 HD2 LYS 13 4.202 7.822 -2.478 107 HD3 LYS 13 HD3 LYS 13 3.013 8.230 -3.716 108 HE2 LYS 13 HE2 LYS 13 5.892 7.692 -4.382 109 HE3 LYS 13 HE3 LYS 13 4.705 6.396 -4.262 110 HZ1 LYS 13 HZ1 LYS 13 5.109 7.370 -6.544 111 HZ2 LYS 13 HZ2 LYS 13 4.286 8.748 -6.007 112 HZ3 LYS 13 HZ3 LYS 13 3.493 7.253 -6.054 113 HA PRO 14 HA PRO 14 3.797 15.073 -0.217 114 HB2 PRO 14 HB2 PRO 14 1.694 15.797 -1.773 115 HB3 PRO 14 HB3 PRO 14 3.371 16.168 -2.191 116 HG2 PRO 14 HG2 PRO 14 1.612 13.959 -3.187 117 HG3 PRO 14 HG3 PRO 14 2.726 14.998 -4.095 118 HD2 PRO 14 HD2 PRO 14 3.366 12.473 -3.355 119 HD3 PRO 14 HD3 PRO 14 4.575 13.767 -3.480 120 H ASN 15 H ASN 15 1.622 12.537 -1.364 121 HA ASN 15 HA ASN 15 -0.225 13.104 0.840 122 HB2 ASN 15 HB2 ASN 15 -1.671 11.384 -0.361 123 HB3 ASN 15 HB3 ASN 15 -1.390 12.898 -1.215 124 HD21 ASN 15 HD21 ASN 15 -0.399 9.537 -0.979 125 HD22 ASN 15 HD22 ASN 15 0.170 9.398 -2.605 126 H CYS 16 H CYS 16 2.063 10.756 -0.319 127 HA CYS 16 HA CYS 16 1.427 9.020 1.975 128 HB2 CYS 16 HB2 CYS 16 1.111 7.846 -0.118 129 HB3 CYS 16 HB3 CYS 16 2.707 8.335 -0.677 130 H GLY 17 H GLY 17 2.884 8.905 3.552 131 HA2 GLY 17 HA2 GLY 17 5.716 9.076 3.003 132 HA3 GLY 17 HA3 GLY 17 5.076 10.453 3.887 133 HN1 NH2 18 H1 NH2 18 5.521 10.292 5.973 134 HN2 NH2 18 H2 NH2 18 5.471 8.893 6.951 Start of MODEL 4 1 H1 ARG 1 H ARG 1 5.587 -0.393 0.332 2 HA ARG 1 HA ARG 1 5.543 2.406 1.065 3 HB2 ARG 1 HB2 ARG 1 6.545 2.789 -1.127 4 HB3 ARG 1 HB3 ARG 1 7.396 1.510 -0.272 5 HG2 ARG 1 HG2 ARG 1 5.966 -0.121 -1.587 6 HG3 ARG 1 HG3 ARG 1 5.505 1.260 -2.585 7 HD2 ARG 1 HD2 ARG 1 7.622 1.511 -3.455 8 HD3 ARG 1 HD3 ARG 1 8.395 0.732 -2.074 9 HE ARG 1 HE ARG 1 7.478 -0.533 -4.455 10 HH11 ARG 1 HH11 ARG 1 7.903 -0.999 -1.031 11 HH12 ARG 1 HH12 ARG 1 8.050 -2.721 -1.153 12 HH21 ARG 1 HH21 ARG 1 7.672 -2.799 -4.628 13 HH22 ARG 1 HH22 ARG 1 7.919 -3.744 -3.198 14 H CYS 2 H CYS 2 4.615 3.988 -0.563 15 HA CYS 2 HA CYS 2 1.838 3.263 -1.019 16 HB2 CYS 2 HB2 CYS 2 2.695 5.467 0.033 17 HB3 CYS 2 HB3 CYS 2 3.049 5.949 -1.623 18 H LYS 3 H LYS 3 4.222 5.068 -2.964 19 HA LYS 3 HA LYS 3 3.139 3.724 -5.353 20 HB2 LYS 3 HB2 LYS 3 2.756 6.269 -5.028 21 HB3 LYS 3 HB3 LYS 3 4.461 6.422 -5.432 22 HG2 LYS 3 HG2 LYS 3 3.301 6.764 -7.441 23 HG3 LYS 3 HG3 LYS 3 3.933 5.119 -7.540 24 HD2 LYS 3 HD2 LYS 3 1.727 4.930 -8.289 25 HD3 LYS 3 HD3 LYS 3 1.657 4.392 -6.610 26 HE2 LYS 3 HE2 LYS 3 -0.135 5.818 -6.658 27 HE3 LYS 3 HE3 LYS 3 1.138 6.931 -6.164 28 HZ1 LYS 3 HZ1 LYS 3 0.806 6.664 -9.023 29 HZ2 LYS 3 HZ2 LYS 3 1.007 8.054 -8.082 30 HZ3 LYS 3 HZ3 LYS 3 -0.522 7.345 -8.227 31 H THR 4 H THR 4 4.619 3.269 -7.061 32 HA THR 4 HA THR 4 7.104 2.252 -6.177 33 HB THR 4 HB THR 4 5.846 1.299 -8.087 34 HG1 THR 4 HG1 THR 4 8.353 2.131 -9.086 35 HG21 THR 4 HG21 THR 4 5.432 3.732 -8.999 36 HG22 THR 4 HG22 THR 4 5.554 2.365 -10.107 37 HG23 THR 4 HG23 THR 4 6.937 3.431 -9.865 38 H CYS 5 H CYS 5 9.227 2.874 -6.757 39 HA CYS 5 HA CYS 5 9.497 5.761 -7.237 40 HB2 CYS 5 HB2 CYS 5 11.159 3.756 -5.748 41 HB3 CYS 5 HB3 CYS 5 11.902 5.232 -6.354 42 H SER 6 H SER 6 11.651 6.343 -8.324 43 HA SER 6 HA SER 6 11.754 4.875 -10.833 44 HB2 SER 6 HB2 SER 6 13.311 7.370 -10.152 45 HB3 SER 6 HB3 SER 6 12.851 6.773 -11.747 46 HG SER 6 HG SER 6 11.117 7.923 -11.542 47 H LYS 7 H LYS 7 13.905 4.501 -11.855 48 HA LYS 7 HA LYS 7 15.521 2.906 -10.154 49 HB2 LYS 7 HB2 LYS 7 15.083 2.797 -12.751 50 HB3 LYS 7 HB3 LYS 7 16.495 3.842 -12.822 51 HG2 LYS 7 HG2 LYS 7 17.366 1.706 -13.079 52 HG3 LYS 7 HG3 LYS 7 17.641 2.066 -11.373 53 HD2 LYS 7 HD2 LYS 7 15.399 0.889 -10.965 54 HD3 LYS 7 HD3 LYS 7 15.576 0.266 -12.606 55 HE2 LYS 7 HE2 LYS 7 17.763 -0.684 -11.976 56 HE3 LYS 7 HE3 LYS 7 17.517 -0.111 -10.327 57 HZ1 LYS 7 HZ1 LYS 7 16.893 -2.539 -11.012 58 HZ2 LYS 7 HZ2 LYS 7 15.460 -1.812 -11.539 59 HZ3 LYS 7 HZ3 LYS 7 15.928 -1.679 -9.920 60 H GLY 8 H GLY 8 16.584 3.969 -8.558 61 HA2 GLY 8 HA2 GLY 8 18.662 4.941 -7.917 62 HA3 GLY 8 HA3 GLY 8 18.668 5.848 -9.422 63 H ARG 9 H ARG 9 15.810 6.605 -9.017 64 HA ARG 9 HA ARG 9 16.269 8.681 -6.978 65 HB2 ARG 9 HB2 ARG 9 14.856 8.750 -9.625 66 HB3 ARG 9 HB3 ARG 9 14.434 9.901 -8.363 67 HG2 ARG 9 HG2 ARG 9 16.557 10.888 -8.398 68 HG3 ARG 9 HG3 ARG 9 17.264 9.535 -9.283 69 HD2 ARG 9 HD2 ARG 9 16.199 10.154 -11.287 70 HD3 ARG 9 HD3 ARG 9 15.088 11.242 -10.455 71 HE ARG 9 HE ARG 9 17.762 11.830 -11.326 72 HH11 ARG 9 HH11 ARG 9 15.235 12.665 -9.082 73 HH12 ARG 9 HH12 ARG 9 15.805 14.283 -8.840 74 HH21 ARG 9 HH21 ARG 9 18.523 13.958 -11.016 75 HH22 ARG 9 HH22 ARG 9 17.675 15.017 -9.941 76 H CYS 10 H CYS 10 15.054 8.522 -5.223 77 HA CYS 10 HA CYS 10 12.281 7.644 -5.444 78 HB2 CYS 10 HB2 CYS 10 13.625 5.607 -4.952 79 HB3 CYS 10 HB3 CYS 10 14.203 6.380 -3.480 80 H ARG 11 H ARG 11 11.139 9.201 -4.519 81 HA ARG 11 HA ARG 11 12.154 10.397 -2.027 82 HB2 ARG 11 HB2 ARG 11 11.127 11.705 -4.496 83 HB3 ARG 11 HB3 ARG 11 10.702 12.431 -2.953 84 HG2 ARG 11 HG2 ARG 11 12.999 12.751 -2.389 85 HG3 ARG 11 HG3 ARG 11 13.525 11.816 -3.790 86 HD2 ARG 11 HD2 ARG 11 12.531 13.506 -5.271 87 HD3 ARG 11 HD3 ARG 11 12.042 14.443 -3.859 88 HE ARG 11 HE ARG 11 14.186 15.218 -3.679 89 HH11 ARG 11 HH11 ARG 11 14.161 12.420 -5.749 90 HH12 ARG 11 HH12 ARG 11 15.819 12.592 -6.220 91 HH21 ARG 11 HH21 ARG 11 16.371 15.456 -4.291 92 HH22 ARG 11 HH22 ARG 11 17.076 14.318 -5.390 93 HA PRO 12 HA PRO 12 8.276 9.530 -0.166 94 HB2 PRO 12 HB2 PRO 12 7.856 11.730 1.368 95 HB3 PRO 12 HB3 PRO 12 9.081 10.514 1.749 96 HG2 PRO 12 HG2 PRO 12 9.401 13.171 0.405 97 HG3 PRO 12 HG3 PRO 12 10.414 12.417 1.651 98 HD2 PRO 12 HD2 PRO 12 11.082 12.408 -0.974 99 HD3 PRO 12 HD3 PRO 12 11.513 11.083 0.126 100 H LYS 13 H LYS 13 6.121 9.754 -0.531 101 HA LYS 13 HA LYS 13 5.276 11.485 -2.642 102 HB2 LYS 13 HB2 LYS 13 4.032 9.359 -0.977 103 HB3 LYS 13 HB3 LYS 13 2.949 10.516 -1.741 104 HG2 LYS 13 HG2 LYS 13 3.063 8.804 -3.288 105 HG3 LYS 13 HG3 LYS 13 4.243 9.966 -3.900 106 HD2 LYS 13 HD2 LYS 13 5.205 7.881 -2.017 107 HD3 LYS 13 HD3 LYS 13 4.796 7.377 -3.657 108 HE2 LYS 13 HE2 LYS 13 6.485 9.798 -3.318 109 HE3 LYS 13 HE3 LYS 13 7.222 8.227 -3.009 110 HZ1 LYS 13 HZ1 LYS 13 7.591 8.709 -5.269 111 HZ2 LYS 13 HZ2 LYS 13 5.990 9.192 -5.524 112 HZ3 LYS 13 HZ3 LYS 13 6.349 7.561 -5.253 113 HA PRO 14 HA PRO 14 3.774 14.974 -0.444 114 HB2 PRO 14 HB2 PRO 14 1.538 15.602 -1.852 115 HB3 PRO 14 HB3 PRO 14 3.171 15.862 -2.475 116 HG2 PRO 14 HG2 PRO 14 1.263 13.625 -3.037 117 HG3 PRO 14 HG3 PRO 14 2.302 14.518 -4.162 118 HD2 PRO 14 HD2 PRO 14 2.952 12.067 -3.214 119 HD3 PRO 14 HD3 PRO 14 4.173 13.294 -3.605 120 H ASN 15 H ASN 15 1.378 12.453 -1.115 121 HA ASN 15 HA ASN 15 -0.145 13.283 1.251 122 HB2 ASN 15 HB2 ASN 15 -0.816 11.727 -1.214 123 HB3 ASN 15 HB3 ASN 15 -1.743 11.431 0.255 124 HD21 ASN 15 HD21 ASN 15 -2.333 13.622 1.380 125 HD22 ASN 15 HD22 ASN 15 -3.065 14.783 0.330 126 H CYS 16 H CYS 16 1.804 10.715 -0.049 127 HA CYS 16 HA CYS 16 1.243 9.043 2.300 128 HB2 CYS 16 HB2 CYS 16 2.255 8.470 -0.456 129 HB3 CYS 16 HB3 CYS 16 2.706 7.388 0.859 130 H GLY 17 H GLY 17 2.640 9.073 3.926 131 HA2 GLY 17 HA2 GLY 17 5.103 8.568 4.347 132 HA3 GLY 17 HA3 GLY 17 5.384 10.013 3.388 133 HN1 NH2 18 H1 NH2 18 5.736 9.117 6.346 134 HN2 NH2 18 H2 NH2 18 5.192 10.452 7.263 Start of MODEL 5 1 H1 ARG 1 H ARG 1 3.903 0.501 0.444 2 HA ARG 1 HA ARG 1 1.894 1.787 2.170 3 HB2 ARG 1 HB2 ARG 1 4.885 2.005 2.048 4 HB3 ARG 1 HB3 ARG 1 3.925 3.310 2.728 5 HG2 ARG 1 HG2 ARG 1 2.959 1.737 4.347 6 HG3 ARG 1 HG3 ARG 1 3.974 0.456 3.682 7 HD2 ARG 1 HD2 ARG 1 5.970 1.622 4.347 8 HD3 ARG 1 HD3 ARG 1 5.028 3.022 4.859 9 HE ARG 1 HE ARG 1 4.029 1.021 6.377 10 HH11 ARG 1 HH11 ARG 1 7.257 2.170 5.757 11 HH12 ARG 1 HH12 ARG 1 7.860 1.709 7.315 12 HH21 ARG 1 HH21 ARG 1 4.810 0.409 8.431 13 HH22 ARG 1 HH22 ARG 1 6.467 0.707 8.834 14 H CYS 2 H CYS 2 4.382 2.617 -0.249 15 HA CYS 2 HA CYS 2 2.531 4.648 -1.311 16 HB2 CYS 2 HB2 CYS 2 5.534 4.907 -1.044 17 HB3 CYS 2 HB3 CYS 2 4.470 6.088 -1.799 18 H LYS 3 H LYS 3 3.283 5.365 -3.575 19 HA LYS 3 HA LYS 3 3.274 3.072 -5.249 20 HB2 LYS 3 HB2 LYS 3 3.495 6.027 -5.750 21 HB3 LYS 3 HB3 LYS 3 3.679 4.875 -7.066 22 HG2 LYS 3 HG2 LYS 3 1.405 3.943 -6.149 23 HG3 LYS 3 HG3 LYS 3 1.266 5.568 -5.473 24 HD2 LYS 3 HD2 LYS 3 0.262 5.859 -7.523 25 HD3 LYS 3 HD3 LYS 3 1.928 6.302 -7.901 26 HE2 LYS 3 HE2 LYS 3 1.502 4.861 -9.623 27 HE3 LYS 3 HE3 LYS 3 2.128 3.725 -8.429 28 HZ1 LYS 3 HZ1 LYS 3 0.244 2.622 -8.840 29 HZ2 LYS 3 HZ2 LYS 3 -0.526 3.959 -9.532 30 HZ3 LYS 3 HZ3 LYS 3 -0.499 3.776 -7.849 31 H THR 4 H THR 4 4.852 2.325 -6.687 32 HA THR 4 HA THR 4 7.447 2.132 -5.738 33 HB THR 4 HB THR 4 6.792 1.916 -8.671 34 HG1 THR 4 HG1 THR 4 5.554 0.253 -8.252 35 HG21 THR 4 HG21 THR 4 8.369 -0.138 -8.232 36 HG22 THR 4 HG22 THR 4 8.858 0.802 -6.822 37 HG23 THR 4 HG23 THR 4 9.044 1.478 -8.440 38 H CYS 5 H CYS 5 9.452 2.966 -6.546 39 HA CYS 5 HA CYS 5 9.193 5.715 -7.562 40 HB2 CYS 5 HB2 CYS 5 11.419 6.100 -6.548 41 HB3 CYS 5 HB3 CYS 5 10.219 5.599 -5.362 42 H SER 6 H SER 6 11.271 6.444 -8.746 43 HA SER 6 HA SER 6 11.597 4.663 -10.997 44 HB2 SER 6 HB2 SER 6 13.143 6.654 -11.737 45 HB3 SER 6 HB3 SER 6 11.391 6.859 -11.726 46 HG SER 6 HG SER 6 11.529 8.144 -10.018 47 H LYS 7 H LYS 7 13.831 4.396 -11.950 48 HA LYS 7 HA LYS 7 15.488 3.078 -10.045 49 HB2 LYS 7 HB2 LYS 7 15.656 3.623 -12.985 50 HB3 LYS 7 HB3 LYS 7 17.072 3.021 -12.135 51 HG2 LYS 7 HG2 LYS 7 14.416 1.640 -11.963 52 HG3 LYS 7 HG3 LYS 7 15.563 1.313 -13.263 53 HD2 LYS 7 HD2 LYS 7 17.254 0.984 -11.299 54 HD3 LYS 7 HD3 LYS 7 15.793 0.742 -10.338 55 HE2 LYS 7 HE2 LYS 7 15.119 -0.929 -12.173 56 HE3 LYS 7 HE3 LYS 7 16.813 -0.866 -12.657 57 HZ1 LYS 7 HZ1 LYS 7 15.969 -1.483 -9.886 58 HZ2 LYS 7 HZ2 LYS 7 17.490 -1.717 -10.587 59 HZ3 LYS 7 HZ3 LYS 7 16.185 -2.682 -11.059 60 H GLY 8 H GLY 8 16.768 4.107 -8.660 61 HA2 GLY 8 HA2 GLY 8 18.724 5.331 -8.158 62 HA3 GLY 8 HA3 GLY 8 18.545 6.196 -9.678 63 H ARG 9 H ARG 9 15.661 6.695 -9.097 64 HA ARG 9 HA ARG 9 16.051 8.849 -7.124 65 HB2 ARG 9 HB2 ARG 9 14.469 8.745 -9.677 66 HB3 ARG 9 HB3 ARG 9 14.066 9.900 -8.414 67 HG2 ARG 9 HG2 ARG 9 16.081 11.044 -8.648 68 HG3 ARG 9 HG3 ARG 9 16.851 9.702 -9.496 69 HD2 ARG 9 HD2 ARG 9 15.338 10.069 -11.403 70 HD3 ARG 9 HD3 ARG 9 14.626 11.443 -10.555 71 HE ARG 9 HE ARG 9 17.126 11.385 -11.962 72 HH11 ARG 9 HH11 ARG 9 15.331 12.922 -9.404 73 HH12 ARG 9 HH12 ARG 9 16.233 14.400 -9.483 74 HH21 ARG 9 HH21 ARG 9 18.320 13.326 -12.074 75 HH22 ARG 9 HH22 ARG 9 17.932 14.628 -11.003 76 H CYS 10 H CYS 10 15.079 8.388 -5.268 77 HA CYS 10 HA CYS 10 12.320 7.429 -5.313 78 HB2 CYS 10 HB2 CYS 10 14.526 6.122 -3.707 79 HB3 CYS 10 HB3 CYS 10 12.810 5.777 -3.526 80 H ARG 11 H ARG 11 11.164 8.803 -4.150 81 HA ARG 11 HA ARG 11 12.180 9.733 -1.578 82 HB2 ARG 11 HB2 ARG 11 11.621 11.465 -3.938 83 HB3 ARG 11 HB3 ARG 11 11.157 12.063 -2.350 84 HG2 ARG 11 HG2 ARG 11 13.395 11.989 -1.570 85 HG3 ARG 11 HG3 ARG 11 13.926 11.084 -2.991 86 HD2 ARG 11 HD2 ARG 11 12.665 13.768 -3.338 87 HD3 ARG 11 HD3 ARG 11 14.346 13.661 -2.822 88 HE ARG 11 HE ARG 11 14.265 12.038 -4.981 89 HH11 ARG 11 HH11 ARG 11 13.254 15.323 -4.421 90 HH12 ARG 11 HH12 ARG 11 13.539 15.827 -6.054 91 HH21 ARG 11 HH21 ARG 11 14.642 12.689 -7.135 92 HH22 ARG 11 HH22 ARG 11 14.327 14.328 -7.596 93 HA PRO 12 HA PRO 12 8.033 9.270 -0.223 94 HB2 PRO 12 HB2 PRO 12 7.759 11.316 1.541 95 HB3 PRO 12 HB3 PRO 12 8.747 9.888 1.871 96 HG2 PRO 12 HG2 PRO 12 9.594 12.600 0.927 97 HG3 PRO 12 HG3 PRO 12 10.342 11.558 2.151 98 HD2 PRO 12 HD2 PRO 12 11.294 11.751 -0.377 99 HD3 PRO 12 HD3 PRO 12 11.405 10.255 0.575 100 H LYS 13 H LYS 13 5.986 9.867 -0.757 101 HA LYS 13 HA LYS 13 5.679 12.068 -2.603 102 HB2 LYS 13 HB2 LYS 13 4.024 9.754 -1.729 103 HB3 LYS 13 HB3 LYS 13 3.181 11.155 -2.377 104 HG2 LYS 13 HG2 LYS 13 4.471 11.000 -4.434 105 HG3 LYS 13 HG3 LYS 13 5.358 9.621 -3.783 106 HD2 LYS 13 HD2 LYS 13 3.762 8.523 -5.000 107 HD3 LYS 13 HD3 LYS 13 2.923 8.654 -3.453 108 HE2 LYS 13 HE2 LYS 13 1.288 9.416 -4.858 109 HE3 LYS 13 HE3 LYS 13 2.097 10.935 -4.480 110 HZ1 LYS 13 HZ1 LYS 13 1.633 9.945 -6.976 111 HZ2 LYS 13 HZ2 LYS 13 3.269 9.597 -6.721 112 HZ3 LYS 13 HZ3 LYS 13 2.714 11.188 -6.588 113 HA PRO 14 HA PRO 14 3.998 15.080 0.111 114 HB2 PRO 14 HB2 PRO 14 2.095 16.235 -1.444 115 HB3 PRO 14 HB3 PRO 14 3.827 16.472 -1.710 116 HG2 PRO 14 HG2 PRO 14 1.931 14.625 -3.108 117 HG3 PRO 14 HG3 PRO 14 3.205 15.649 -3.794 118 HD2 PRO 14 HD2 PRO 14 3.534 12.992 -3.387 119 HD3 PRO 14 HD3 PRO 14 4.873 14.151 -3.257 120 H ASN 15 H ASN 15 1.652 12.996 -1.521 121 HA ASN 15 HA ASN 15 -0.350 13.517 0.528 122 HB2 ASN 15 HB2 ASN 15 -0.385 11.894 -2.019 123 HB3 ASN 15 HB3 ASN 15 -1.726 11.906 -0.877 124 HD21 ASN 15 HD21 ASN 15 -0.529 13.274 -3.618 125 HD22 ASN 15 HD22 ASN 15 -1.426 14.750 -3.616 126 H CYS 16 H CYS 16 1.952 11.084 -0.406 127 HA CYS 16 HA CYS 16 0.827 9.059 1.329 128 HB2 CYS 16 HB2 CYS 16 2.177 8.762 -0.912 129 HB3 CYS 16 HB3 CYS 16 3.573 8.863 0.155 130 H GLY 17 H GLY 17 4.044 10.606 1.166 131 HA2 GLY 17 HA2 GLY 17 4.206 10.298 4.100 132 HA3 GLY 17 HA3 GLY 17 5.595 10.299 3.023 133 HN1 NH2 18 H1 NH2 18 2.807 12.429 3.679 134 HN2 NH2 18 H2 NH2 18 3.674 13.896 3.784 Start of MODEL 6 1 H1 ARG 1 H ARG 1 3.839 0.716 2.917 2 HA ARG 1 HA ARG 1 4.238 0.036 0.703 3 HB2 ARG 1 HB2 ARG 1 1.260 -0.290 1.114 4 HB3 ARG 1 HB3 ARG 1 2.239 -1.183 -0.044 5 HG2 ARG 1 HG2 ARG 1 2.623 -1.268 2.942 6 HG3 ARG 1 HG3 ARG 1 1.712 -2.456 2.007 7 HD2 ARG 1 HD2 ARG 1 3.889 -2.665 0.616 8 HD3 ARG 1 HD3 ARG 1 4.654 -1.899 2.008 9 HE ARG 1 HE ARG 1 3.032 -4.156 2.716 10 HH11 ARG 1 HH11 ARG 1 6.167 -3.151 1.583 11 HH12 ARG 1 HH12 ARG 1 6.981 -4.560 2.182 12 HH21 ARG 1 HH21 ARG 1 4.090 -6.014 3.507 13 HH22 ARG 1 HH22 ARG 1 5.796 -6.188 3.275 14 H CYS 2 H CYS 2 4.341 2.679 0.407 15 HA CYS 2 HA CYS 2 2.331 3.776 -1.281 16 HB2 CYS 2 HB2 CYS 2 4.223 4.921 0.179 17 HB3 CYS 2 HB3 CYS 2 5.128 4.820 -1.328 18 H LYS 3 H LYS 3 2.822 4.586 -3.509 19 HA LYS 3 HA LYS 3 3.262 2.505 -5.275 20 HB2 LYS 3 HB2 LYS 3 2.322 4.962 -5.594 21 HB3 LYS 3 HB3 LYS 3 3.966 5.278 -6.131 22 HG2 LYS 3 HG2 LYS 3 3.777 3.856 -7.960 23 HG3 LYS 3 HG3 LYS 3 2.389 3.006 -7.277 24 HD2 LYS 3 HD2 LYS 3 1.623 4.425 -9.059 25 HD3 LYS 3 HD3 LYS 3 1.061 5.093 -7.526 26 HE2 LYS 3 HE2 LYS 3 1.897 6.853 -8.987 27 HE3 LYS 3 HE3 LYS 3 2.903 6.700 -7.549 28 HZ1 LYS 3 HZ1 LYS 3 4.633 5.807 -8.743 29 HZ2 LYS 3 HZ2 LYS 3 4.001 6.904 -9.866 30 HZ3 LYS 3 HZ3 LYS 3 3.645 5.255 -10.001 31 H THR 4 H THR 4 4.986 2.173 -6.840 32 HA THR 4 HA THR 4 7.532 2.021 -5.588 33 HB THR 4 HB THR 4 7.268 1.719 -8.548 34 HG1 THR 4 HG1 THR 4 6.268 -0.292 -8.259 35 HG21 THR 4 HG21 THR 4 9.082 0.922 -6.473 36 HG22 THR 4 HG22 THR 4 9.255 0.764 -8.222 37 HG23 THR 4 HG23 THR 4 8.457 -0.506 -7.295 38 H CYS 5 H CYS 5 9.527 2.945 -6.368 39 HA CYS 5 HA CYS 5 9.140 5.689 -7.329 40 HB2 CYS 5 HB2 CYS 5 11.411 6.101 -6.423 41 HB3 CYS 5 HB3 CYS 5 10.291 5.516 -5.196 42 H SER 6 H SER 6 11.186 6.518 -8.554 43 HA SER 6 HA SER 6 11.401 4.884 -10.926 44 HB2 SER 6 HB2 SER 6 11.147 7.462 -10.806 45 HB3 SER 6 HB3 SER 6 12.882 7.466 -10.489 46 HG SER 6 HG SER 6 11.540 7.043 -12.824 47 H LYS 7 H LYS 7 13.623 4.761 -12.004 48 HA LYS 7 HA LYS 7 15.355 3.296 -10.267 49 HB2 LYS 7 HB2 LYS 7 15.994 4.197 -13.072 50 HB3 LYS 7 HB3 LYS 7 16.639 2.805 -12.212 51 HG2 LYS 7 HG2 LYS 7 13.783 3.138 -13.113 52 HG3 LYS 7 HG3 LYS 7 15.013 2.158 -13.916 53 HD2 LYS 7 HD2 LYS 7 14.096 1.750 -11.070 54 HD3 LYS 7 HD3 LYS 7 13.471 0.853 -12.456 55 HE2 LYS 7 HE2 LYS 7 16.324 0.898 -11.474 56 HE3 LYS 7 HE3 LYS 7 15.185 -0.440 -11.331 57 HZ1 LYS 7 HZ1 LYS 7 15.101 -0.169 -13.916 58 HZ2 LYS 7 HZ2 LYS 7 16.337 -1.058 -13.181 59 HZ3 LYS 7 HZ3 LYS 7 16.626 0.528 -13.692 60 H GLY 8 H GLY 8 16.685 4.251 -8.873 61 HA2 GLY 8 HA2 GLY 8 18.659 5.448 -8.380 62 HA3 GLY 8 HA3 GLY 8 18.424 6.392 -9.843 63 H ARG 9 H ARG 9 15.566 6.860 -9.125 64 HA ARG 9 HA ARG 9 16.036 8.906 -7.056 65 HB2 ARG 9 HB2 ARG 9 14.371 8.938 -9.555 66 HB3 ARG 9 HB3 ARG 9 13.991 10.010 -8.214 67 HG2 ARG 9 HG2 ARG 9 15.973 11.201 -8.441 68 HG3 ARG 9 HG3 ARG 9 16.749 9.916 -9.368 69 HD2 ARG 9 HD2 ARG 9 14.750 10.433 -11.034 70 HD3 ARG 9 HD3 ARG 9 14.829 12.006 -10.243 71 HE ARG 9 HE ARG 9 16.770 12.423 -11.372 72 HH11 ARG 9 HH11 ARG 9 16.151 8.998 -11.429 73 HH12 ARG 9 HH12 ARG 9 17.454 8.649 -12.514 74 HH21 ARG 9 HH21 ARG 9 18.491 11.976 -12.801 75 HH22 ARG 9 HH22 ARG 9 18.786 10.342 -13.293 76 H CYS 10 H CYS 10 15.140 8.347 -5.190 77 HA CYS 10 HA CYS 10 12.391 7.341 -5.191 78 HB2 CYS 10 HB2 CYS 10 14.680 6.071 -3.676 79 HB3 CYS 10 HB3 CYS 10 12.980 5.678 -3.434 80 H ARG 11 H ARG 11 11.227 8.674 -3.986 81 HA ARG 11 HA ARG 11 12.190 9.507 -1.379 82 HB2 ARG 11 HB2 ARG 11 11.874 11.356 -3.688 83 HB3 ARG 11 HB3 ARG 11 11.321 11.920 -2.117 84 HG2 ARG 11 HG2 ARG 11 13.647 11.196 -1.283 85 HG3 ARG 11 HG3 ARG 11 14.086 11.197 -2.991 86 HD2 ARG 11 HD2 ARG 11 14.640 13.345 -2.400 87 HD3 ARG 11 HD3 ARG 11 12.983 13.570 -2.959 88 HE ARG 11 HE ARG 11 12.988 13.039 -0.192 89 HH11 ARG 11 HH11 ARG 11 13.830 15.530 -2.474 90 HH12 ARG 11 HH12 ARG 11 13.565 16.826 -1.355 91 HH21 ARG 11 HH21 ARG 11 12.637 14.736 1.291 92 HH22 ARG 11 HH22 ARG 11 12.889 16.373 0.787 93 HA PRO 12 HA PRO 12 7.962 9.225 -0.249 94 HB2 PRO 12 HB2 PRO 12 7.709 11.209 1.589 95 HB3 PRO 12 HB3 PRO 12 8.600 9.715 1.903 96 HG2 PRO 12 HG2 PRO 12 9.640 12.411 1.121 97 HG3 PRO 12 HG3 PRO 12 10.267 11.279 2.334 98 HD2 PRO 12 HD2 PRO 12 11.355 11.520 -0.134 99 HD3 PRO 12 HD3 PRO 12 11.336 9.984 0.755 100 H LYS 13 H LYS 13 5.980 9.958 -0.855 101 HA LYS 13 HA LYS 13 5.888 12.248 -2.613 102 HB2 LYS 13 HB2 LYS 13 4.075 9.992 -1.932 103 HB3 LYS 13 HB3 LYS 13 3.333 11.464 -2.544 104 HG2 LYS 13 HG2 LYS 13 4.263 11.237 -4.620 105 HG3 LYS 13 HG3 LYS 13 5.645 10.318 -4.021 106 HD2 LYS 13 HD2 LYS 13 4.226 8.846 -5.287 107 HD3 LYS 13 HD3 LYS 13 4.115 8.410 -3.580 108 HE2 LYS 13 HE2 LYS 13 1.918 8.407 -4.665 109 HE3 LYS 13 HE3 LYS 13 2.015 9.619 -3.388 110 HZ1 LYS 13 HZ1 LYS 13 1.113 10.105 -5.857 111 HZ2 LYS 13 HZ2 LYS 13 2.733 10.561 -6.029 112 HZ3 LYS 13 HZ3 LYS 13 1.771 11.289 -4.843 113 HA PRO 14 HA PRO 14 4.233 15.231 0.147 114 HB2 PRO 14 HB2 PRO 14 2.478 16.557 -1.447 115 HB3 PRO 14 HB3 PRO 14 4.232 16.707 -1.615 116 HG2 PRO 14 HG2 PRO 14 2.314 15.030 -3.188 117 HG3 PRO 14 HG3 PRO 14 3.676 16.009 -3.763 118 HD2 PRO 14 HD2 PRO 14 3.840 13.323 -3.458 119 HD3 PRO 14 HD3 PRO 14 5.230 14.398 -3.213 120 H ASN 15 H ASN 15 1.883 13.325 -1.675 121 HA ASN 15 HA ASN 15 -0.205 13.886 0.275 122 HB2 ASN 15 HB2 ASN 15 -1.669 12.617 -1.219 123 HB3 ASN 15 HB3 ASN 15 -0.786 13.847 -2.120 124 HD21 ASN 15 HD21 ASN 15 -1.770 10.724 -2.158 125 HD22 ASN 15 HD22 ASN 15 -0.617 10.066 -3.264 126 H CYS 16 H CYS 16 2.029 11.371 -0.604 127 HA CYS 16 HA CYS 16 0.720 9.305 0.903 128 HB2 CYS 16 HB2 CYS 16 2.401 9.131 -1.119 129 HB3 CYS 16 HB3 CYS 16 3.614 9.166 0.156 130 H GLY 17 H GLY 17 3.773 11.105 1.331 131 HA2 GLY 17 HA2 GLY 17 3.429 10.770 4.243 132 HA3 GLY 17 HA3 GLY 17 4.977 10.435 3.480 133 HN1 NH2 18 H1 NH2 18 2.545 13.033 3.686 134 HN2 NH2 18 H2 NH2 18 3.632 14.345 3.784 Start of MODEL 7 1 H1 ARG 1 H ARG 1 -0.968 0.230 0.711 2 HA ARG 1 HA ARG 1 1.817 0.422 0.162 3 HB2 ARG 1 HB2 ARG 1 -0.431 -0.992 -1.275 4 HB3 ARG 1 HB3 ARG 1 1.259 -1.128 -1.743 5 HG2 ARG 1 HG2 ARG 1 0.415 -1.757 1.053 6 HG3 ARG 1 HG3 ARG 1 0.207 -2.943 -0.238 7 HD2 ARG 1 HD2 ARG 1 2.847 -1.596 0.083 8 HD3 ARG 1 HD3 ARG 1 2.402 -2.880 1.207 9 HE ARG 1 HE ARG 1 3.193 -3.185 -1.516 10 HH11 ARG 1 HH11 ARG 1 1.183 -4.537 0.986 11 HH12 ARG 1 HH12 ARG 1 1.202 -6.135 0.316 12 HH21 ARG 1 HH21 ARG 1 3.223 -5.284 -2.406 13 HH22 ARG 1 HH22 ARG 1 2.362 -6.559 -1.613 14 H CYS 2 H CYS 2 1.597 2.852 -0.199 15 HA CYS 2 HA CYS 2 1.144 3.348 -3.070 16 HB2 CYS 2 HB2 CYS 2 0.603 5.707 -2.422 17 HB3 CYS 2 HB3 CYS 2 -0.563 4.520 -1.846 18 H LYS 3 H LYS 3 3.581 2.439 -2.220 19 HA LYS 3 HA LYS 3 5.297 4.808 -2.011 20 HB2 LYS 3 HB2 LYS 3 5.711 1.889 -1.453 21 HB3 LYS 3 HB3 LYS 3 7.092 2.942 -1.725 22 HG2 LYS 3 HG2 LYS 3 4.999 3.600 0.317 23 HG3 LYS 3 HG3 LYS 3 6.354 2.528 0.683 24 HD2 LYS 3 HD2 LYS 3 6.898 5.180 -0.571 25 HD3 LYS 3 HD3 LYS 3 6.515 5.106 1.150 26 HE2 LYS 3 HE2 LYS 3 8.618 3.347 -0.071 27 HE3 LYS 3 HE3 LYS 3 8.984 4.991 0.451 28 HZ1 LYS 3 HZ1 LYS 3 8.282 2.644 2.063 29 HZ2 LYS 3 HZ2 LYS 3 7.848 4.174 2.637 30 HZ3 LYS 3 HZ3 LYS 3 9.473 3.816 2.329 31 H THR 4 H THR 4 6.271 5.584 -3.754 32 HA THR 4 HA THR 4 6.441 3.881 -6.146 33 HB THR 4 HB THR 4 6.552 5.898 -7.469 34 HG1 THR 4 HG1 THR 4 6.335 7.393 -5.057 35 HG21 THR 4 HG21 THR 4 4.364 6.900 -6.944 36 HG22 THR 4 HG22 THR 4 4.379 6.089 -5.379 37 HG23 THR 4 HG23 THR 4 4.319 5.140 -6.863 38 H CYS 5 H CYS 5 8.343 3.943 -7.445 39 HA CYS 5 HA CYS 5 10.738 5.136 -6.304 40 HB2 CYS 5 HB2 CYS 5 10.288 2.703 -5.412 41 HB3 CYS 5 HB3 CYS 5 10.898 2.227 -6.993 42 H SER 6 H SER 6 11.972 5.939 -7.869 43 HA SER 6 HA SER 6 11.484 5.030 -10.621 44 HB2 SER 6 HB2 SER 6 12.966 7.556 -9.993 45 HB3 SER 6 HB3 SER 6 11.937 7.176 -11.374 46 HG SER 6 HG SER 6 10.739 8.510 -10.121 47 H LYS 7 H LYS 7 13.442 5.294 -12.092 48 HA LYS 7 HA LYS 7 15.518 3.613 -11.131 49 HB2 LYS 7 HB2 LYS 7 14.669 3.851 -13.533 50 HB3 LYS 7 HB3 LYS 7 15.657 5.305 -13.622 51 HG2 LYS 7 HG2 LYS 7 17.045 3.702 -14.522 52 HG3 LYS 7 HG3 LYS 7 17.576 3.753 -12.839 53 HD2 LYS 7 HD2 LYS 7 16.055 1.824 -12.383 54 HD3 LYS 7 HD3 LYS 7 15.744 1.726 -14.117 55 HE2 LYS 7 HE2 LYS 7 18.508 1.595 -12.931 56 HE3 LYS 7 HE3 LYS 7 17.515 0.166 -13.214 57 HZ1 LYS 7 HZ1 LYS 7 17.504 1.665 -15.558 58 HZ2 LYS 7 HZ2 LYS 7 18.223 0.158 -15.294 59 HZ3 LYS 7 HZ3 LYS 7 19.113 1.574 -15.046 60 H GLY 8 H GLY 8 16.686 4.469 -9.470 61 HA2 GLY 8 HA2 GLY 8 18.690 5.560 -8.852 62 HA3 GLY 8 HA3 GLY 8 18.454 6.693 -10.175 63 H ARG 9 H ARG 9 15.608 7.091 -9.371 64 HA ARG 9 HA ARG 9 16.118 8.836 -7.052 65 HB2 ARG 9 HB2 ARG 9 14.442 9.229 -9.513 66 HB3 ARG 9 HB3 ARG 9 14.085 10.116 -8.038 67 HG2 ARG 9 HG2 ARG 9 16.077 11.306 -8.121 68 HG3 ARG 9 HG3 ARG 9 16.841 10.137 -9.199 69 HD2 ARG 9 HD2 ARG 9 16.380 11.877 -10.642 70 HD3 ARG 9 HD3 ARG 9 14.965 10.846 -10.855 71 HE ARG 9 HE ARG 9 13.687 12.546 -10.043 72 HH11 ARG 9 HH11 ARG 9 16.964 13.013 -8.961 73 HH12 ARG 9 HH12 ARG 9 16.636 14.542 -8.214 74 HH21 ARG 9 HH21 ARG 9 13.245 14.557 -9.062 75 HH22 ARG 9 HH22 ARG 9 14.521 15.419 -8.271 76 H CYS 10 H CYS 10 15.207 8.071 -5.270 77 HA CYS 10 HA CYS 10 12.474 7.007 -5.431 78 HB2 CYS 10 HB2 CYS 10 14.439 5.259 -5.201 79 HB3 CYS 10 HB3 CYS 10 14.398 5.757 -3.514 80 H ARG 11 H ARG 11 11.279 8.391 -4.305 81 HA ARG 11 HA ARG 11 12.065 9.038 -1.574 82 HB2 ARG 11 HB2 ARG 11 12.001 10.959 -3.791 83 HB3 ARG 11 HB3 ARG 11 11.061 11.458 -2.391 84 HG2 ARG 11 HG2 ARG 11 13.280 10.726 -1.127 85 HG3 ARG 11 HG3 ARG 11 13.986 11.119 -2.698 86 HD2 ARG 11 HD2 ARG 11 12.400 12.909 -0.871 87 HD3 ARG 11 HD3 ARG 11 14.074 13.097 -1.393 88 HE ARG 11 HE ARG 11 12.709 13.187 -3.716 89 HH11 ARG 11 HH11 ARG 11 12.353 14.870 -0.691 90 HH12 ARG 11 HH12 ARG 11 11.702 16.304 -1.414 91 HH21 ARG 11 HH21 ARG 11 11.854 15.069 -4.681 92 HH22 ARG 11 HH22 ARG 11 11.417 16.415 -3.684 93 HA PRO 12 HA PRO 12 7.798 8.584 -0.669 94 HB2 PRO 12 HB2 PRO 12 7.402 10.453 1.260 95 HB3 PRO 12 HB3 PRO 12 8.320 8.967 1.535 96 HG2 PRO 12 HG2 PRO 12 9.318 11.729 0.954 97 HG3 PRO 12 HG3 PRO 12 9.918 10.547 2.132 98 HD2 PRO 12 HD2 PRO 12 11.115 10.955 -0.262 99 HD3 PRO 12 HD3 PRO 12 11.099 9.371 0.539 100 H LYS 13 H LYS 13 5.827 9.298 -1.330 101 HA LYS 13 HA LYS 13 5.734 11.604 -3.034 102 HB2 LYS 13 HB2 LYS 13 3.812 9.450 -2.254 103 HB3 LYS 13 HB3 LYS 13 3.194 10.909 -3.018 104 HG2 LYS 13 HG2 LYS 13 5.005 10.446 -4.808 105 HG3 LYS 13 HG3 LYS 13 5.006 8.814 -4.136 106 HD2 LYS 13 HD2 LYS 13 2.578 10.270 -5.182 107 HD3 LYS 13 HD3 LYS 13 3.484 9.036 -6.060 108 HE2 LYS 13 HE2 LYS 13 3.017 7.593 -3.935 109 HE3 LYS 13 HE3 LYS 13 1.721 8.757 -3.662 110 HZ1 LYS 13 HZ1 LYS 13 0.500 7.854 -5.269 111 HZ2 LYS 13 HZ2 LYS 13 1.569 6.544 -5.234 112 HZ3 LYS 13 HZ3 LYS 13 1.793 7.789 -6.357 113 HA PRO 14 HA PRO 14 4.180 14.650 -0.282 114 HB2 PRO 14 HB2 PRO 14 2.432 15.996 -1.865 115 HB3 PRO 14 HB3 PRO 14 4.186 16.106 -2.059 116 HG2 PRO 14 HG2 PRO 14 2.212 14.456 -3.589 117 HG3 PRO 14 HG3 PRO 14 3.587 15.401 -4.191 118 HD2 PRO 14 HD2 PRO 14 3.697 12.715 -3.864 119 HD3 PRO 14 HD3 PRO 14 5.114 13.763 -3.646 120 H ASN 15 H ASN 15 1.724 12.856 -2.097 121 HA ASN 15 HA ASN 15 -0.379 13.514 -0.246 122 HB2 ASN 15 HB2 ASN 15 -0.134 11.892 -2.729 123 HB3 ASN 15 HB3 ASN 15 -1.452 11.493 -1.631 124 HD21 ASN 15 HD21 ASN 15 -1.925 12.408 -4.175 125 HD22 ASN 15 HD22 ASN 15 -2.625 13.985 -4.097 126 H CYS 16 H CYS 16 1.941 10.955 -0.652 127 HA CYS 16 HA CYS 16 0.706 9.497 1.591 128 HB2 CYS 16 HB2 CYS 16 2.124 8.587 -0.864 129 HB3 CYS 16 HB3 CYS 16 2.370 7.653 0.608 130 H GLY 17 H GLY 17 1.760 10.884 3.114 131 HA2 GLY 17 HA2 GLY 17 4.687 10.550 3.246 132 HA3 GLY 17 HA3 GLY 17 3.789 11.861 3.997 133 HN1 NH2 18 H1 NH2 18 5.661 9.618 4.960 134 HN2 NH2 18 H2 NH2 18 4.887 8.947 6.326 Start of MODEL 8 1 H1 ARG 1 H ARG 1 1.113 -1.902 -0.093 2 HA ARG 1 HA ARG 1 -0.441 0.052 -0.892 3 HB2 ARG 1 HB2 ARG 1 -0.301 -1.028 1.448 4 HB3 ARG 1 HB3 ARG 1 0.706 0.351 1.870 5 HG2 ARG 1 HG2 ARG 1 -1.154 1.843 1.154 6 HG3 ARG 1 HG3 ARG 1 -2.154 0.405 0.942 7 HD2 ARG 1 HD2 ARG 1 -1.490 -0.130 3.381 8 HD3 ARG 1 HD3 ARG 1 -1.029 1.570 3.461 9 HE ARG 1 HE ARG 1 -3.559 1.615 2.457 10 HH11 ARG 1 HH11 ARG 1 -2.078 0.244 5.295 11 HH12 ARG 1 HH12 ARG 1 -3.504 0.388 6.266 12 HH21 ARG 1 HH21 ARG 1 -5.444 1.807 3.727 13 HH22 ARG 1 HH22 ARG 1 -5.418 1.276 5.373 14 H CYS 2 H CYS 2 0.264 1.636 -2.231 15 HA CYS 2 HA CYS 2 1.168 3.614 -2.895 16 HB2 CYS 2 HB2 CYS 2 0.135 4.260 -0.622 17 HB3 CYS 2 HB3 CYS 2 1.787 4.224 -0.013 18 H LYS 3 H LYS 3 2.865 1.836 -3.509 19 HA LYS 3 HA LYS 3 5.461 2.608 -2.345 20 HB2 LYS 3 HB2 LYS 3 4.378 0.002 -3.286 21 HB3 LYS 3 HB3 LYS 3 6.078 0.324 -3.601 22 HG2 LYS 3 HG2 LYS 3 5.813 -0.899 -1.531 23 HG3 LYS 3 HG3 LYS 3 6.441 0.720 -1.212 24 HD2 LYS 3 HD2 LYS 3 4.431 1.458 -0.307 25 HD3 LYS 3 HD3 LYS 3 3.496 0.186 -1.100 26 HE2 LYS 3 HE2 LYS 3 4.099 -1.408 0.455 27 HE3 LYS 3 HE3 LYS 3 5.571 -0.553 0.914 28 HZ1 LYS 3 HZ1 LYS 3 4.412 0.149 2.660 29 HZ2 LYS 3 HZ2 LYS 3 2.933 -0.345 2.006 30 HZ3 LYS 3 HZ3 LYS 3 3.574 1.167 1.597 31 H THR 4 H THR 4 6.565 3.931 -3.615 32 HA THR 4 HA THR 4 6.555 3.444 -6.514 33 HB THR 4 HB THR 4 5.080 5.358 -6.082 34 HG1 THR 4 HG1 THR 4 5.934 5.918 -7.936 35 HG21 THR 4 HG21 THR 4 5.579 7.086 -4.722 36 HG22 THR 4 HG22 THR 4 7.261 7.144 -5.248 37 HG23 THR 4 HG23 THR 4 6.758 5.972 -4.030 38 H CYS 5 H CYS 5 8.490 3.723 -7.548 39 HA CYS 5 HA CYS 5 10.707 5.086 -6.379 40 HB2 CYS 5 HB2 CYS 5 10.520 2.825 -5.125 41 HB3 CYS 5 HB3 CYS 5 11.114 2.116 -6.623 42 H SER 6 H SER 6 11.876 5.843 -8.008 43 HA SER 6 HA SER 6 11.659 4.510 -10.619 44 HB2 SER 6 HB2 SER 6 12.838 7.236 -10.368 45 HB3 SER 6 HB3 SER 6 11.815 6.566 -11.638 46 HG SER 6 HG SER 6 11.032 8.160 -9.788 47 H LYS 7 H LYS 7 13.647 4.809 -12.040 48 HA LYS 7 HA LYS 7 15.849 3.538 -10.783 49 HB2 LYS 7 HB2 LYS 7 15.291 4.605 -13.520 50 HB3 LYS 7 HB3 LYS 7 16.945 4.193 -13.091 51 HG2 LYS 7 HG2 LYS 7 14.745 2.225 -12.635 52 HG3 LYS 7 HG3 LYS 7 15.444 2.429 -14.242 53 HD2 LYS 7 HD2 LYS 7 17.713 2.136 -13.058 54 HD3 LYS 7 HD3 LYS 7 16.763 1.489 -11.717 55 HE2 LYS 7 HE2 LYS 7 17.450 -0.362 -13.037 56 HE3 LYS 7 HE3 LYS 7 15.734 -0.115 -13.354 57 HZ1 LYS 7 HZ1 LYS 7 17.031 -0.530 -15.379 58 HZ2 LYS 7 HZ2 LYS 7 17.931 0.872 -15.090 59 HZ3 LYS 7 HZ3 LYS 7 16.274 0.983 -15.407 60 H GLY 8 H GLY 8 16.842 4.726 -9.220 61 HA2 GLY 8 HA2 GLY 8 18.687 6.126 -8.712 62 HA3 GLY 8 HA3 GLY 8 18.336 7.069 -10.152 63 H ARG 9 H ARG 9 15.443 7.165 -9.425 64 HA ARG 9 HA ARG 9 15.670 9.240 -7.348 65 HB2 ARG 9 HB2 ARG 9 13.876 8.994 -9.752 66 HB3 ARG 9 HB3 ARG 9 13.476 10.062 -8.413 67 HG2 ARG 9 HG2 ARG 9 15.311 11.445 -8.810 68 HG3 ARG 9 HG3 ARG 9 16.125 10.230 -9.799 69 HD2 ARG 9 HD2 ARG 9 13.977 10.503 -11.297 70 HD3 ARG 9 HD3 ARG 9 13.887 12.069 -10.495 71 HE ARG 9 HE ARG 9 15.746 11.276 -12.516 72 HH11 ARG 9 HH11 ARG 9 15.302 13.336 -9.745 73 HH12 ARG 9 HH12 ARG 9 16.482 14.497 -10.254 74 HH21 ARG 9 HH21 ARG 9 17.302 12.797 -13.198 75 HH22 ARG 9 HH22 ARG 9 17.619 14.190 -12.220 76 H CYS 10 H CYS 10 14.902 8.614 -5.449 77 HA CYS 10 HA CYS 10 12.330 7.238 -5.330 78 HB2 CYS 10 HB2 CYS 10 14.468 5.663 -5.201 79 HB3 CYS 10 HB3 CYS 10 14.467 6.203 -3.524 80 H ARG 11 H ARG 11 11.144 8.595 -4.160 81 HA ARG 11 HA ARG 11 12.039 9.334 -1.502 82 HB2 ARG 11 HB2 ARG 11 11.723 11.283 -3.732 83 HB3 ARG 11 HB3 ARG 11 11.161 11.764 -2.138 84 HG2 ARG 11 HG2 ARG 11 13.609 10.789 -1.531 85 HG3 ARG 11 HG3 ARG 11 13.890 11.418 -3.156 86 HD2 ARG 11 HD2 ARG 11 12.399 13.126 -1.237 87 HD3 ARG 11 HD3 ARG 11 14.135 12.936 -0.995 88 HE ARG 11 HE ARG 11 13.954 13.566 -3.614 89 HH11 ARG 11 HH11 ARG 11 12.663 15.014 -0.723 90 HH12 ARG 11 HH12 ARG 11 12.678 16.624 -1.366 91 HH21 ARG 11 HH21 ARG 11 13.978 15.679 -4.470 92 HH22 ARG 11 HH22 ARG 11 13.426 17.000 -3.498 93 HA PRO 12 HA PRO 12 7.792 8.941 -0.480 94 HB2 PRO 12 HB2 PRO 12 7.469 10.838 1.435 95 HB3 PRO 12 HB3 PRO 12 8.375 9.344 1.704 96 HG2 PRO 12 HG2 PRO 12 9.389 12.088 1.064 97 HG3 PRO 12 HG3 PRO 12 10.007 10.913 2.239 98 HD2 PRO 12 HD2 PRO 12 11.145 11.279 -0.190 99 HD3 PRO 12 HD3 PRO 12 11.131 9.704 0.631 100 H LYS 13 H LYS 13 5.812 9.669 -1.098 101 HA LYS 13 HA LYS 13 5.676 11.888 -2.882 102 HB2 LYS 13 HB2 LYS 13 3.862 9.764 -1.939 103 HB3 LYS 13 HB3 LYS 13 3.067 11.267 -2.390 104 HG2 LYS 13 HG2 LYS 13 4.616 11.015 -4.523 105 HG3 LYS 13 HG3 LYS 13 4.532 9.312 -4.069 106 HD2 LYS 13 HD2 LYS 13 2.031 10.945 -4.214 107 HD3 LYS 13 HD3 LYS 13 2.757 10.311 -5.693 108 HE2 LYS 13 HE2 LYS 13 2.081 8.612 -3.299 109 HE3 LYS 13 HE3 LYS 13 0.986 8.860 -4.657 110 HZ1 LYS 13 HZ1 LYS 13 2.122 7.437 -5.918 111 HZ2 LYS 13 HZ2 LYS 13 2.844 6.903 -4.485 112 HZ3 LYS 13 HZ3 LYS 13 3.627 8.050 -5.450 113 HA PRO 14 HA PRO 14 4.508 15.193 -0.242 114 HB2 PRO 14 HB2 PRO 14 2.708 16.526 -1.776 115 HB3 PRO 14 HB3 PRO 14 4.442 16.526 -2.113 116 HG2 PRO 14 HG2 PRO 14 2.269 14.888 -3.362 117 HG3 PRO 14 HG3 PRO 14 3.635 15.712 -4.137 118 HD2 PRO 14 HD2 PRO 14 3.636 13.052 -3.626 119 HD3 PRO 14 HD3 PRO 14 5.117 14.032 -3.596 120 H ASN 15 H ASN 15 1.766 13.539 -1.784 121 HA ASN 15 HA ASN 15 0.013 14.290 0.417 122 HB2 ASN 15 HB2 ASN 15 -0.898 14.427 -1.838 123 HB3 ASN 15 HB3 ASN 15 -0.527 12.729 -2.117 124 HD21 ASN 15 HD21 ASN 15 -2.726 12.376 -2.596 125 HD22 ASN 15 HD22 ASN 15 -3.903 12.248 -1.337 126 H CYS 16 H CYS 16 1.787 11.547 -0.774 127 HA CYS 16 HA CYS 16 0.630 9.882 1.364 128 HB2 CYS 16 HB2 CYS 16 0.279 9.024 -0.939 129 HB3 CYS 16 HB3 CYS 16 2.025 8.968 -1.159 130 H GLY 17 H GLY 17 2.025 10.591 2.993 131 HA2 GLY 17 HA2 GLY 17 4.889 10.031 2.572 132 HA3 GLY 17 HA3 GLY 17 4.243 11.124 3.788 133 HN1 NH2 18 H1 NH2 18 3.821 10.367 5.788 134 HN2 NH2 18 H2 NH2 18 3.937 8.743 6.302 Start of MODEL 9 1 H1 ARG 1 H ARG 1 0.550 -0.555 0.707 2 HA ARG 1 HA ARG 1 3.371 0.263 0.627 3 HB2 ARG 1 HB2 ARG 1 2.066 -1.545 -1.417 4 HB3 ARG 1 HB3 ARG 1 3.738 -1.001 -1.412 5 HG2 ARG 1 HG2 ARG 1 2.444 -2.821 0.607 6 HG3 ARG 1 HG3 ARG 1 3.599 -3.285 -0.646 7 HD2 ARG 1 HD2 ARG 1 4.995 -3.096 1.161 8 HD3 ARG 1 HD3 ARG 1 5.095 -1.461 0.506 9 HE ARG 1 HE ARG 1 4.131 -0.698 2.425 10 HH11 ARG 1 HH11 ARG 1 3.427 -4.093 2.104 11 HH12 ARG 1 HH12 ARG 1 2.659 -4.214 3.652 12 HH21 ARG 1 HH21 ARG 1 3.121 -0.845 4.466 13 HH22 ARG 1 HH22 ARG 1 2.485 -2.365 4.995 14 H CYS 2 H CYS 2 3.727 2.082 -0.484 15 HA CYS 2 HA CYS 2 1.464 3.291 -1.889 16 HB2 CYS 2 HB2 CYS 2 3.989 4.368 -0.675 17 HB3 CYS 2 HB3 CYS 2 3.104 5.317 -1.865 18 H LYS 3 H LYS 3 2.387 4.887 -3.716 19 HA LYS 3 HA LYS 3 2.987 3.334 -5.919 20 HB2 LYS 3 HB2 LYS 3 2.342 5.936 -5.553 21 HB3 LYS 3 HB3 LYS 3 4.042 6.098 -5.975 22 HG2 LYS 3 HG2 LYS 3 3.723 5.416 -8.116 23 HG3 LYS 3 HG3 LYS 3 2.379 4.351 -7.693 24 HD2 LYS 3 HD2 LYS 3 1.285 6.742 -7.110 25 HD3 LYS 3 HD3 LYS 3 2.386 7.217 -8.405 26 HE2 LYS 3 HE2 LYS 3 0.597 6.651 -9.682 27 HE3 LYS 3 HE3 LYS 3 1.325 5.051 -9.542 28 HZ1 LYS 3 HZ1 LYS 3 -0.407 4.305 -8.390 29 HZ2 LYS 3 HZ2 LYS 3 -1.227 5.707 -8.864 30 HZ3 LYS 3 HZ3 LYS 3 -0.438 5.653 -7.368 31 H THR 4 H THR 4 4.855 2.913 -7.106 32 HA THR 4 HA THR 4 7.259 2.693 -5.515 33 HB THR 4 HB THR 4 6.556 0.831 -6.974 34 HG1 THR 4 HG1 THR 4 8.617 0.394 -7.112 35 HG21 THR 4 HG21 THR 4 7.443 2.416 -9.356 36 HG22 THR 4 HG22 THR 4 5.771 2.507 -8.802 37 HG23 THR 4 HG23 THR 4 6.456 0.957 -9.290 38 H CYS 5 H CYS 5 9.340 3.446 -6.212 39 HA CYS 5 HA CYS 5 9.161 6.005 -7.642 40 HB2 CYS 5 HB2 CYS 5 11.328 6.526 -6.551 41 HB3 CYS 5 HB3 CYS 5 10.047 6.188 -5.391 42 H SER 6 H SER 6 10.976 6.608 -9.041 43 HA SER 6 HA SER 6 11.498 4.626 -10.977 44 HB2 SER 6 HB2 SER 6 11.432 7.191 -11.256 45 HB3 SER 6 HB3 SER 6 13.109 7.157 -10.710 46 HG SER 6 HG SER 6 13.079 7.030 -12.942 47 H LYS 7 H LYS 7 13.795 4.198 -11.778 48 HA LYS 7 HA LYS 7 15.232 2.910 -9.662 49 HB2 LYS 7 HB2 LYS 7 15.589 3.145 -12.629 50 HB3 LYS 7 HB3 LYS 7 16.888 2.495 -11.638 51 HG2 LYS 7 HG2 LYS 7 15.695 0.610 -11.070 52 HG3 LYS 7 HG3 LYS 7 14.135 1.380 -11.369 53 HD2 LYS 7 HD2 LYS 7 16.109 0.798 -13.565 54 HD3 LYS 7 HD3 LYS 7 14.878 -0.363 -13.056 55 HE2 LYS 7 HE2 LYS 7 13.244 1.630 -13.411 56 HE3 LYS 7 HE3 LYS 7 14.549 2.294 -14.392 57 HZ1 LYS 7 HZ1 LYS 7 14.459 0.446 -15.838 58 HZ2 LYS 7 HZ2 LYS 7 12.859 0.947 -15.621 59 HZ3 LYS 7 HZ3 LYS 7 13.433 -0.421 -14.809 60 H GLY 8 H GLY 8 16.620 3.898 -8.359 61 HA2 GLY 8 HA2 GLY 8 18.647 5.026 -7.921 62 HA3 GLY 8 HA3 GLY 8 18.529 5.800 -9.494 63 H ARG 9 H ARG 9 15.682 6.521 -8.964 64 HA ARG 9 HA ARG 9 16.205 8.768 -7.132 65 HB2 ARG 9 HB2 ARG 9 14.632 8.597 -9.685 66 HB3 ARG 9 HB3 ARG 9 14.283 9.848 -8.499 67 HG2 ARG 9 HG2 ARG 9 16.391 10.838 -8.759 68 HG3 ARG 9 HG3 ARG 9 17.047 9.421 -9.580 69 HD2 ARG 9 HD2 ARG 9 15.451 9.852 -11.445 70 HD3 ARG 9 HD3 ARG 9 14.986 11.349 -10.638 71 HE ARG 9 HE ARG 9 16.926 12.312 -11.376 72 HH11 ARG 9 HH11 ARG 9 17.164 8.854 -11.714 73 HH12 ARG 9 HH12 ARG 9 18.653 8.911 -12.597 74 HH21 ARG 9 HH21 ARG 9 18.886 12.400 -12.540 75 HH22 ARG 9 HH22 ARG 9 19.632 10.929 -13.066 76 H CYS 10 H CYS 10 15.205 8.499 -5.254 77 HA CYS 10 HA CYS 10 12.403 7.642 -5.259 78 HB2 CYS 10 HB2 CYS 10 14.204 5.796 -4.648 79 HB3 CYS 10 HB3 CYS 10 14.168 6.605 -3.085 80 H ARG 11 H ARG 11 11.216 9.082 -4.214 81 HA ARG 11 HA ARG 11 12.320 10.415 -1.850 82 HB2 ARG 11 HB2 ARG 11 11.394 11.714 -4.366 83 HB3 ARG 11 HB3 ARG 11 10.996 12.499 -2.844 84 HG2 ARG 11 HG2 ARG 11 13.389 12.510 -2.256 85 HG3 ARG 11 HG3 ARG 11 13.753 11.803 -3.831 86 HD2 ARG 11 HD2 ARG 11 14.110 14.111 -4.094 87 HD3 ARG 11 HD3 ARG 11 12.542 13.796 -4.836 88 HE ARG 11 HE ARG 11 12.048 14.502 -2.204 89 HH11 ARG 11 HH11 ARG 11 13.458 15.952 -5.038 90 HH12 ARG 11 HH12 ARG 11 13.009 17.567 -4.595 91 HH21 ARG 11 HH21 ARG 11 11.452 16.622 -1.610 92 HH22 ARG 11 HH22 ARG 11 11.870 17.946 -2.645 93 HA PRO 12 HA PRO 12 8.374 9.790 -0.040 94 HB2 PRO 12 HB2 PRO 12 8.040 12.045 1.434 95 HB3 PRO 12 HB3 PRO 12 9.195 10.779 1.865 96 HG2 PRO 12 HG2 PRO 12 9.671 13.383 0.467 97 HG3 PRO 12 HG3 PRO 12 10.624 12.609 1.746 98 HD2 PRO 12 HD2 PRO 12 11.334 12.503 -0.864 99 HD3 PRO 12 HD3 PRO 12 11.681 11.184 0.273 100 H LYS 13 H LYS 13 6.239 10.112 -0.449 101 HA LYS 13 HA LYS 13 5.549 11.974 -2.548 102 HB2 LYS 13 HB2 LYS 13 4.111 9.761 -1.123 103 HB3 LYS 13 HB3 LYS 13 3.211 10.907 -2.108 104 HG2 LYS 13 HG2 LYS 13 5.561 9.364 -3.164 105 HG3 LYS 13 HG3 LYS 13 3.907 8.750 -3.224 106 HD2 LYS 13 HD2 LYS 13 4.591 11.461 -4.309 107 HD3 LYS 13 HD3 LYS 13 4.832 10.006 -5.278 108 HE2 LYS 13 HE2 LYS 13 2.206 10.443 -3.936 109 HE3 LYS 13 HE3 LYS 13 2.581 11.349 -5.399 110 HZ1 LYS 13 HZ1 LYS 13 3.180 8.555 -5.629 111 HZ2 LYS 13 HZ2 LYS 13 2.282 9.553 -6.658 112 HZ3 LYS 13 HZ3 LYS 13 1.544 8.842 -5.310 113 HA PRO 14 HA PRO 14 3.798 15.192 -0.135 114 HB2 PRO 14 HB2 PRO 14 1.661 15.923 -1.643 115 HB3 PRO 14 HB3 PRO 14 3.330 16.274 -2.108 116 HG2 PRO 14 HG2 PRO 14 1.527 14.074 -3.038 117 HG3 PRO 14 HG3 PRO 14 2.625 15.095 -3.984 118 HD2 PRO 14 HD2 PRO 14 3.262 12.571 -3.239 119 HD3 PRO 14 HD3 PRO 14 4.478 13.852 -3.407 120 H ASN 15 H ASN 15 1.581 12.658 -1.196 121 HA ASN 15 HA ASN 15 -0.207 13.261 1.047 122 HB2 ASN 15 HB2 ASN 15 -0.528 11.674 -1.486 123 HB3 ASN 15 HB3 ASN 15 -1.637 11.451 -0.136 124 HD21 ASN 15 HD21 ASN 15 -3.444 12.306 -0.990 125 HD22 ASN 15 HD22 ASN 15 -3.602 13.954 -1.483 126 H CYS 16 H CYS 16 2.033 10.887 -0.149 127 HA CYS 16 HA CYS 16 1.432 9.164 2.165 128 HB2 CYS 16 HB2 CYS 16 1.092 7.965 0.102 129 HB3 CYS 16 HB3 CYS 16 2.658 8.484 -0.513 130 H GLY 17 H GLY 17 2.742 10.182 3.667 131 HA2 GLY 17 HA2 GLY 17 5.534 10.687 3.047 132 HA3 GLY 17 HA3 GLY 17 4.722 11.027 4.569 133 HN1 NH2 18 H1 NH2 18 4.707 9.498 6.187 134 HN2 NH2 18 H2 NH2 18 5.602 8.043 6.164 Start of MODEL 10 1 H1 ARG 1 H ARG 1 -2.605 3.605 0.255 2 HA ARG 1 HA ARG 1 -0.325 1.741 0.171 3 HB2 ARG 1 HB2 ARG 1 -0.766 1.539 -2.286 4 HB3 ARG 1 HB3 ARG 1 -2.016 0.841 -1.265 5 HG2 ARG 1 HG2 ARG 1 -2.354 3.648 -2.171 6 HG3 ARG 1 HG3 ARG 1 -2.600 2.350 -3.341 7 HD2 ARG 1 HD2 ARG 1 -4.083 1.314 -1.473 8 HD3 ARG 1 HD3 ARG 1 -4.109 2.956 -0.832 9 HE ARG 1 HE ARG 1 -5.564 3.522 -2.492 10 HH11 ARG 1 HH11 ARG 1 -3.895 0.610 -3.419 11 HH12 ARG 1 HH12 ARG 1 -4.839 0.371 -4.854 12 HH21 ARG 1 HH21 ARG 1 -6.812 3.218 -4.377 13 HH22 ARG 1 HH22 ARG 1 -6.497 1.854 -5.397 14 H CYS 2 H CYS 2 1.043 2.402 -1.935 15 HA CYS 2 HA CYS 2 1.248 5.255 -2.318 16 HB2 CYS 2 HB2 CYS 2 2.506 4.507 -0.120 17 HB3 CYS 2 HB3 CYS 2 3.740 3.982 -1.262 18 H LYS 3 H LYS 3 2.974 5.814 -3.868 19 HA LYS 3 HA LYS 3 3.084 3.840 -5.969 20 HB2 LYS 3 HB2 LYS 3 3.728 6.735 -5.707 21 HB3 LYS 3 HB3 LYS 3 4.541 5.837 -6.982 22 HG2 LYS 3 HG2 LYS 3 1.590 5.576 -6.718 23 HG3 LYS 3 HG3 LYS 3 2.258 7.056 -7.412 24 HD2 LYS 3 HD2 LYS 3 3.046 4.319 -8.380 25 HD3 LYS 3 HD3 LYS 3 1.660 5.193 -9.037 26 HE2 LYS 3 HE2 LYS 3 2.973 6.803 -10.021 27 HE3 LYS 3 HE3 LYS 3 4.297 6.574 -8.878 28 HZ1 LYS 3 HZ1 LYS 3 4.081 4.184 -10.199 29 HZ2 LYS 3 HZ2 LYS 3 5.262 5.367 -10.451 30 HZ3 LYS 3 HZ3 LYS 3 3.870 5.345 -11.412 31 H THR 4 H THR 4 5.113 3.341 -7.107 32 HA THR 4 HA THR 4 7.191 2.677 -5.184 33 HB THR 4 HB THR 4 7.130 1.943 -8.111 34 HG1 THR 4 HG1 THR 4 6.168 0.352 -5.958 35 HG21 THR 4 HG21 THR 4 8.414 -0.057 -7.125 36 HG22 THR 4 HG22 THR 4 8.625 0.958 -5.697 37 HG23 THR 4 HG23 THR 4 9.262 1.484 -7.255 38 H CYS 5 H CYS 5 9.419 3.134 -5.534 39 HA CYS 5 HA CYS 5 9.874 5.775 -6.569 40 HB2 CYS 5 HB2 CYS 5 11.672 3.727 -5.275 41 HB3 CYS 5 HB3 CYS 5 12.268 5.276 -5.859 42 H SER 6 H SER 6 11.679 6.261 -8.051 43 HA SER 6 HA SER 6 11.565 4.483 -10.350 44 HB2 SER 6 HB2 SER 6 12.456 7.321 -9.928 45 HB3 SER 6 HB3 SER 6 12.921 6.448 -11.387 46 HG SER 6 HG SER 6 10.790 7.740 -11.205 47 H LYS 7 H LYS 7 13.661 4.303 -11.653 48 HA LYS 7 HA LYS 7 15.578 2.945 -10.051 49 HB2 LYS 7 HB2 LYS 7 15.756 3.786 -12.951 50 HB3 LYS 7 HB3 LYS 7 16.797 2.613 -12.155 51 HG2 LYS 7 HG2 LYS 7 13.850 2.176 -12.149 52 HG3 LYS 7 HG3 LYS 7 14.776 1.833 -13.612 53 HD2 LYS 7 HD2 LYS 7 15.727 0.763 -10.992 54 HD3 LYS 7 HD3 LYS 7 14.384 -0.034 -11.815 55 HE2 LYS 7 HE2 LYS 7 15.733 -0.417 -13.763 56 HE3 LYS 7 HE3 LYS 7 17.048 0.551 -13.100 57 HZ1 LYS 7 HZ1 LYS 7 17.375 -1.072 -11.379 58 HZ2 LYS 7 HZ2 LYS 7 17.425 -1.850 -12.881 59 HZ3 LYS 7 HZ3 LYS 7 16.047 -1.976 -11.907 60 H GLY 8 H GLY 8 16.830 4.086 -8.697 61 HA2 GLY 8 HA2 GLY 8 18.818 5.305 -8.323 62 HA3 GLY 8 HA3 GLY 8 18.591 6.105 -9.871 63 H ARG 9 H ARG 9 15.738 6.668 -9.202 64 HA ARG 9 HA ARG 9 16.227 8.896 -7.337 65 HB2 ARG 9 HB2 ARG 9 14.562 8.714 -9.831 66 HB3 ARG 9 HB3 ARG 9 14.212 9.922 -8.601 67 HG2 ARG 9 HG2 ARG 9 16.272 11.000 -8.916 68 HG3 ARG 9 HG3 ARG 9 16.939 9.635 -9.815 69 HD2 ARG 9 HD2 ARG 9 16.389 11.425 -11.341 70 HD3 ARG 9 HD3 ARG 9 15.309 10.059 -11.614 71 HE ARG 9 HE ARG 9 14.098 11.836 -9.810 72 HH11 ARG 9 HH11 ARG 9 15.010 11.627 -13.164 73 HH12 ARG 9 HH12 ARG 9 13.755 12.692 -13.706 74 HH21 ARG 9 HH21 ARG 9 12.442 13.238 -10.511 75 HH22 ARG 9 HH22 ARG 9 12.295 13.609 -12.196 76 H CYS 10 H CYS 10 15.293 8.569 -5.437 77 HA CYS 10 HA CYS 10 12.556 7.513 -5.371 78 HB2 CYS 10 HB2 CYS 10 14.034 5.633 -4.847 79 HB3 CYS 10 HB3 CYS 10 14.813 6.579 -3.585 80 H ARG 11 H ARG 11 11.373 9.096 -4.536 81 HA ARG 11 HA ARG 11 12.383 10.483 -2.144 82 HB2 ARG 11 HB2 ARG 11 11.312 11.633 -4.675 83 HB3 ARG 11 HB3 ARG 11 10.887 12.432 -3.168 84 HG2 ARG 11 HG2 ARG 11 13.615 12.018 -2.959 85 HG3 ARG 11 HG3 ARG 11 13.369 12.468 -4.647 86 HD2 ARG 11 HD2 ARG 11 12.358 14.006 -2.259 87 HD3 ARG 11 HD3 ARG 11 13.784 14.420 -3.210 88 HE ARG 11 HE ARG 11 11.549 14.223 -4.908 89 HH11 ARG 11 HH11 ARG 11 12.873 16.261 -2.415 90 HH12 ARG 11 HH12 ARG 11 12.116 17.701 -3.010 91 HH21 ARG 11 HH21 ARG 11 10.548 16.112 -5.701 92 HH22 ARG 11 HH22 ARG 11 10.793 17.616 -4.878 93 HA PRO 12 HA PRO 12 8.532 9.623 -0.229 94 HB2 PRO 12 HB2 PRO 12 8.061 11.890 1.188 95 HB3 PRO 12 HB3 PRO 12 9.315 10.726 1.628 96 HG2 PRO 12 HG2 PRO 12 9.568 13.315 0.146 97 HG3 PRO 12 HG3 PRO 12 10.602 12.652 1.425 98 HD2 PRO 12 HD2 PRO 12 11.264 12.521 -1.197 99 HD3 PRO 12 HD3 PRO 12 11.730 11.266 -0.030 100 H LYS 13 H LYS 13 6.370 9.773 -0.599 101 HA LYS 13 HA LYS 13 5.501 11.508 -2.737 102 HB2 LYS 13 HB2 LYS 13 4.339 9.198 -1.248 103 HB3 LYS 13 HB3 LYS 13 3.241 10.285 -2.087 104 HG2 LYS 13 HG2 LYS 13 3.747 8.455 -3.533 105 HG3 LYS 13 HG3 LYS 13 4.538 9.898 -4.170 106 HD2 LYS 13 HD2 LYS 13 6.658 9.183 -3.465 107 HD3 LYS 13 HD3 LYS 13 5.981 7.979 -2.365 108 HE2 LYS 13 HE2 LYS 13 5.277 6.609 -4.195 109 HE3 LYS 13 HE3 LYS 13 5.689 7.862 -5.362 110 HZ1 LYS 13 HZ1 LYS 13 7.329 5.990 -5.117 111 HZ2 LYS 13 HZ2 LYS 13 7.707 6.613 -3.590 112 HZ3 LYS 13 HZ3 LYS 13 7.973 7.548 -4.976 113 HA PRO 14 HA PRO 14 3.583 14.685 -0.395 114 HB2 PRO 14 HB2 PRO 14 1.365 15.209 -1.870 115 HB3 PRO 14 HB3 PRO 14 2.994 15.657 -2.390 116 HG2 PRO 14 HG2 PRO 14 1.329 13.303 -3.197 117 HG3 PRO 14 HG3 PRO 14 2.330 14.363 -4.205 118 HD2 PRO 14 HD2 PRO 14 3.161 11.919 -3.389 119 HD3 PRO 14 HD3 PRO 14 4.280 13.274 -3.634 120 H ASN 15 H ASN 15 1.489 11.994 -1.336 121 HA ASN 15 HA ASN 15 -0.414 12.585 0.771 122 HB2 ASN 15 HB2 ASN 15 -0.914 11.589 -1.586 123 HB3 ASN 15 HB3 ASN 15 -0.423 10.061 -0.858 124 HD21 ASN 15 HD21 ASN 15 -2.994 10.672 -1.877 125 HD22 ASN 15 HD22 ASN 15 -4.111 10.592 -0.562 126 H CYS 16 H CYS 16 2.290 10.476 0.197 127 HA CYS 16 HA CYS 16 1.714 8.891 2.578 128 HB2 CYS 16 HB2 CYS 16 4.093 8.652 0.731 129 HB3 CYS 16 HB3 CYS 16 3.507 7.457 1.883 130 H GLY 17 H GLY 17 3.845 8.371 3.881 131 HA2 GLY 17 HA2 GLY 17 6.012 9.736 4.370 132 HA3 GLY 17 HA3 GLY 17 4.843 10.981 4.781 133 HN1 NH2 18 H1 NH2 18 6.732 9.997 6.595 134 HN2 NH2 18 H2 NH2 18 5.952 9.174 7.873 Start of MODEL 11 1 H1 ARG 1 H ARG 1 3.314 0.120 -0.404 2 HA ARG 1 HA ARG 1 0.711 0.305 0.952 3 HB2 ARG 1 HB2 ARG 1 1.644 2.308 2.171 4 HB3 ARG 1 HB3 ARG 1 2.298 0.754 2.665 5 HG2 ARG 1 HG2 ARG 1 4.282 1.162 1.282 6 HG3 ARG 1 HG3 ARG 1 3.628 2.738 0.833 7 HD2 ARG 1 HD2 ARG 1 3.534 3.218 3.337 8 HD3 ARG 1 HD3 ARG 1 4.554 1.793 3.531 9 HE ARG 1 HE ARG 1 5.361 4.372 2.607 10 HH11 ARG 1 HH11 ARG 1 6.014 0.961 2.354 11 HH12 ARG 1 HH12 ARG 1 7.675 1.178 1.912 12 HH21 ARG 1 HH21 ARG 1 7.547 4.671 2.024 13 HH22 ARG 1 HH22 ARG 1 8.546 3.288 1.725 14 H CYS 2 H CYS 2 3.127 1.909 -1.065 15 HA CYS 2 HA CYS 2 0.968 3.300 -2.459 16 HB2 CYS 2 HB2 CYS 2 3.198 4.583 -0.960 17 HB3 CYS 2 HB3 CYS 2 2.727 5.302 -2.498 18 H LYS 3 H LYS 3 2.102 4.614 -4.370 19 HA LYS 3 HA LYS 3 3.038 2.764 -6.196 20 HB2 LYS 3 HB2 LYS 3 3.548 5.745 -6.166 21 HB3 LYS 3 HB3 LYS 3 3.741 4.696 -7.564 22 HG2 LYS 3 HG2 LYS 3 1.245 4.102 -7.115 23 HG3 LYS 3 HG3 LYS 3 1.248 5.625 -6.220 24 HD2 LYS 3 HD2 LYS 3 2.283 5.433 -9.035 25 HD3 LYS 3 HD3 LYS 3 0.573 5.702 -8.687 26 HE2 LYS 3 HE2 LYS 3 0.945 7.796 -7.806 27 HE3 LYS 3 HE3 LYS 3 2.613 7.430 -7.367 28 HZ1 LYS 3 HZ1 LYS 3 2.126 7.336 -10.198 29 HZ2 LYS 3 HZ2 LYS 3 3.351 8.125 -9.338 30 HZ3 LYS 3 HZ3 LYS 3 1.840 8.862 -9.528 31 H THR 4 H THR 4 5.160 2.702 -7.295 32 HA THR 4 HA THR 4 7.304 2.700 -5.301 33 HB THR 4 HB THR 4 6.975 0.588 -6.451 34 HG1 THR 4 HG1 THR 4 9.172 0.535 -7.496 35 HG21 THR 4 HG21 THR 4 7.922 1.157 -9.062 36 HG22 THR 4 HG22 THR 4 6.590 2.261 -8.728 37 HG23 THR 4 HG23 THR 4 6.348 0.520 -8.587 38 H CYS 5 H CYS 5 9.393 3.529 -5.801 39 HA CYS 5 HA CYS 5 9.275 5.932 -7.425 40 HB2 CYS 5 HB2 CYS 5 11.459 6.454 -6.429 41 HB3 CYS 5 HB3 CYS 5 10.271 6.056 -5.192 42 H SER 6 H SER 6 11.289 6.467 -8.738 43 HA SER 6 HA SER 6 11.603 4.438 -10.731 44 HB2 SER 6 HB2 SER 6 12.743 7.210 -10.392 45 HB3 SER 6 HB3 SER 6 13.215 6.161 -11.730 46 HG SER 6 HG SER 6 11.407 7.642 -12.126 47 H LYS 7 H LYS 7 13.872 3.991 -11.612 48 HA LYS 7 HA LYS 7 15.376 2.729 -9.528 49 HB2 LYS 7 HB2 LYS 7 15.652 2.932 -12.509 50 HB3 LYS 7 HB3 LYS 7 16.962 2.267 -11.541 51 HG2 LYS 7 HG2 LYS 7 15.291 0.647 -10.590 52 HG3 LYS 7 HG3 LYS 7 14.161 1.217 -11.820 53 HD2 LYS 7 HD2 LYS 7 15.799 0.589 -13.562 54 HD3 LYS 7 HD3 LYS 7 16.853 -0.060 -12.304 55 HE2 LYS 7 HE2 LYS 7 15.029 -1.608 -11.648 56 HE3 LYS 7 HE3 LYS 7 14.077 -1.009 -13.005 57 HZ1 LYS 7 HZ1 LYS 7 16.546 -2.620 -13.053 58 HZ2 LYS 7 HZ2 LYS 7 16.103 -1.689 -14.394 59 HZ3 LYS 7 HZ3 LYS 7 15.074 -2.909 -13.833 60 H GLY 8 H GLY 8 16.587 3.944 -8.210 61 HA2 GLY 8 HA2 GLY 8 18.657 5.036 -7.807 62 HA3 GLY 8 HA3 GLY 8 18.601 5.686 -9.438 63 H ARG 9 H ARG 9 15.751 6.485 -9.060 64 HA ARG 9 HA ARG 9 16.258 8.869 -7.403 65 HB2 ARG 9 HB2 ARG 9 14.726 8.500 -9.962 66 HB3 ARG 9 HB3 ARG 9 14.386 9.857 -8.897 67 HG2 ARG 9 HG2 ARG 9 16.536 10.764 -9.193 68 HG3 ARG 9 HG3 ARG 9 17.148 9.275 -9.917 69 HD2 ARG 9 HD2 ARG 9 16.784 10.957 -11.627 70 HD3 ARG 9 HD3 ARG 9 15.661 9.616 -11.840 71 HE ARG 9 HE ARG 9 14.422 11.592 -10.284 72 HH11 ARG 9 HH11 ARG 9 15.543 11.067 -13.538 73 HH12 ARG 9 HH12 ARG 9 14.376 12.131 -14.251 74 HH21 ARG 9 HH21 ARG 9 12.882 12.996 -11.210 75 HH22 ARG 9 HH22 ARG 9 12.865 13.229 -12.925 76 H CYS 10 H CYS 10 15.191 8.816 -5.546 77 HA CYS 10 HA CYS 10 12.382 8.012 -5.537 78 HB2 CYS 10 HB2 CYS 10 14.411 6.926 -3.572 79 HB3 CYS 10 HB3 CYS 10 12.676 6.628 -3.537 80 H ARG 11 H ARG 11 11.126 9.138 -4.117 81 HA ARG 11 HA ARG 11 12.341 10.748 -2.034 82 HB2 ARG 11 HB2 ARG 11 11.210 11.887 -4.546 83 HB3 ARG 11 HB3 ARG 11 10.887 12.735 -3.039 84 HG2 ARG 11 HG2 ARG 11 13.262 12.956 -2.618 85 HG3 ARG 11 HG3 ARG 11 13.625 12.027 -4.075 86 HD2 ARG 11 HD2 ARG 11 13.880 14.410 -4.490 87 HD3 ARG 11 HD3 ARG 11 12.548 13.751 -5.438 88 HE ARG 11 HE ARG 11 11.748 14.888 -2.918 89 HH11 ARG 11 HH11 ARG 11 12.386 15.511 -6.282 90 HH12 ARG 11 HH12 ARG 11 11.386 16.925 -6.345 91 HH21 ARG 11 HH21 ARG 11 10.429 16.749 -2.986 92 HH22 ARG 11 HH22 ARG 11 10.275 17.629 -4.469 93 HA PRO 12 HA PRO 12 8.537 10.081 0.045 94 HB2 PRO 12 HB2 PRO 12 8.206 12.394 1.427 95 HB3 PRO 12 HB3 PRO 12 9.433 11.191 1.845 96 HG2 PRO 12 HG2 PRO 12 9.727 13.735 0.296 97 HG3 PRO 12 HG3 PRO 12 10.783 13.062 1.550 98 HD2 PRO 12 HD2 PRO 12 11.338 12.847 -1.090 99 HD3 PRO 12 HD3 PRO 12 11.802 11.602 0.085 100 H LYS 13 H LYS 13 6.371 10.307 -0.245 101 HA LYS 13 HA LYS 13 5.485 12.020 -2.393 102 HB2 LYS 13 HB2 LYS 13 4.197 9.877 -0.730 103 HB3 LYS 13 HB3 LYS 13 3.216 10.924 -1.749 104 HG2 LYS 13 HG2 LYS 13 5.558 9.409 -2.849 105 HG3 LYS 13 HG3 LYS 13 3.959 8.677 -2.705 106 HD2 LYS 13 HD2 LYS 13 3.007 10.190 -4.223 107 HD3 LYS 13 HD3 LYS 13 4.363 11.313 -4.086 108 HE2 LYS 13 HE2 LYS 13 5.808 9.579 -5.149 109 HE3 LYS 13 HE3 LYS 13 4.363 8.604 -5.411 110 HZ1 LYS 13 HZ1 LYS 13 3.446 10.463 -6.714 111 HZ2 LYS 13 HZ2 LYS 13 4.864 9.834 -7.388 112 HZ3 LYS 13 HZ3 LYS 13 4.907 11.297 -6.537 113 HA PRO 14 HA PRO 14 3.798 15.341 -0.070 114 HB2 PRO 14 HB2 PRO 14 1.545 15.916 -1.471 115 HB3 PRO 14 HB3 PRO 14 3.169 16.280 -2.070 116 HG2 PRO 14 HG2 PRO 14 1.375 13.977 -2.738 117 HG3 PRO 14 HG3 PRO 14 2.377 14.965 -3.818 118 HD2 PRO 14 HD2 PRO 14 3.138 12.511 -2.962 119 HD3 PRO 14 HD3 PRO 14 4.302 13.811 -3.293 120 H ASN 15 H ASN 15 1.419 12.844 -0.942 121 HA ASN 15 HA ASN 15 -0.032 13.415 1.548 122 HB2 ASN 15 HB2 ASN 15 -1.389 13.486 -0.492 123 HB3 ASN 15 HB3 ASN 15 -0.897 11.842 -0.889 124 HD21 ASN 15 HD21 ASN 15 -2.055 13.457 2.052 125 HD22 ASN 15 HD22 ASN 15 -3.324 12.331 2.374 126 H CYS 16 H CYS 16 1.796 10.991 -0.146 127 HA CYS 16 HA CYS 16 1.260 9.047 1.993 128 HB2 CYS 16 HB2 CYS 16 0.943 8.449 -0.488 129 HB3 CYS 16 HB3 CYS 16 2.701 8.457 -0.586 130 H GLY 17 H GLY 17 2.783 10.902 3.004 131 HA2 GLY 17 HA2 GLY 17 5.599 10.360 2.521 132 HA3 GLY 17 HA3 GLY 17 4.941 11.556 3.627 133 HN1 NH2 18 H1 NH2 18 3.238 9.879 5.114 134 HN2 NH2 18 H2 NH2 18 4.165 8.813 6.075 Start of MODEL 12 1 H1 ARG 1 H ARG 1 8.267 4.918 -0.905 2 HA ARG 1 HA ARG 1 7.836 2.822 0.984 3 HB2 ARG 1 HB2 ARG 1 8.338 5.339 1.399 4 HB3 ARG 1 HB3 ARG 1 6.603 5.550 1.206 5 HG2 ARG 1 HG2 ARG 1 6.846 5.336 3.491 6 HG3 ARG 1 HG3 ARG 1 6.411 3.700 2.995 7 HD2 ARG 1 HD2 ARG 1 8.195 3.245 4.352 8 HD3 ARG 1 HD3 ARG 1 9.022 3.423 2.806 9 HE ARG 1 HE ARG 1 10.080 5.267 3.637 10 HH11 ARG 1 HH11 ARG 1 7.283 4.596 5.601 11 HH12 ARG 1 HH12 ARG 1 7.663 5.804 6.783 12 HH21 ARG 1 HH21 ARG 1 10.589 6.862 5.188 13 HH22 ARG 1 HH22 ARG 1 9.541 7.093 6.546 14 H CYS 2 H CYS 2 5.665 4.891 -0.926 15 HA CYS 2 HA CYS 2 3.424 3.139 -0.212 16 HB2 CYS 2 HB2 CYS 2 3.337 5.799 -1.646 17 HB3 CYS 2 HB3 CYS 2 1.969 4.909 -0.987 18 H LYS 3 H LYS 3 4.485 4.909 -3.125 19 HA LYS 3 HA LYS 3 3.621 2.588 -4.723 20 HB2 LYS 3 HB2 LYS 3 2.497 4.955 -4.951 21 HB3 LYS 3 HB3 LYS 3 3.929 5.322 -5.902 22 HG2 LYS 3 HG2 LYS 3 2.267 4.655 -7.431 23 HG3 LYS 3 HG3 LYS 3 3.386 3.297 -7.296 24 HD2 LYS 3 HD2 LYS 3 1.380 2.197 -7.125 25 HD3 LYS 3 HD3 LYS 3 1.705 2.527 -5.422 26 HE2 LYS 3 HE2 LYS 3 -0.578 3.092 -5.876 27 HE3 LYS 3 HE3 LYS 3 0.321 4.587 -5.625 28 HZ1 LYS 3 HZ1 LYS 3 -0.163 3.491 -8.329 29 HZ2 LYS 3 HZ2 LYS 3 0.293 5.062 -7.900 30 HZ3 LYS 3 HZ3 LYS 3 -1.273 4.518 -7.570 31 H THR 4 H THR 4 4.850 2.150 -6.674 32 HA THR 4 HA THR 4 7.574 1.893 -6.257 33 HB THR 4 HB THR 4 6.475 2.123 -9.043 34 HG1 THR 4 HG1 THR 4 5.869 -0.164 -8.694 35 HG21 THR 4 HG21 THR 4 7.974 0.066 -9.270 36 HG22 THR 4 HG22 THR 4 8.601 0.491 -7.679 37 HG23 THR 4 HG23 THR 4 8.775 1.616 -9.025 38 H CYS 5 H CYS 5 9.401 2.943 -7.107 39 HA CYS 5 HA CYS 5 8.928 5.708 -8.011 40 HB2 CYS 5 HB2 CYS 5 11.138 6.221 -6.854 41 HB3 CYS 5 HB3 CYS 5 9.764 5.900 -5.802 42 H SER 6 H SER 6 10.927 6.643 -9.101 43 HA SER 6 HA SER 6 11.566 5.030 -11.339 44 HB2 SER 6 HB2 SER 6 11.452 7.615 -11.155 45 HB3 SER 6 HB3 SER 6 13.115 7.496 -10.583 46 HG SER 6 HG SER 6 13.752 7.051 -12.541 47 H LYS 7 H LYS 7 13.913 4.798 -12.079 48 HA LYS 7 HA LYS 7 15.288 3.225 -10.105 49 HB2 LYS 7 HB2 LYS 7 15.094 2.760 -12.632 50 HB3 LYS 7 HB3 LYS 7 16.374 3.952 -12.816 51 HG2 LYS 7 HG2 LYS 7 17.574 2.461 -11.015 52 HG3 LYS 7 HG3 LYS 7 16.473 1.227 -11.633 53 HD2 LYS 7 HD2 LYS 7 18.276 2.894 -13.383 54 HD3 LYS 7 HD3 LYS 7 18.716 1.304 -12.755 55 HE2 LYS 7 HE2 LYS 7 16.505 0.516 -13.816 56 HE3 LYS 7 HE3 LYS 7 16.567 2.030 -14.717 57 HZ1 LYS 7 HZ1 LYS 7 18.040 1.156 -16.099 58 HZ2 LYS 7 HZ2 LYS 7 17.852 -0.339 -15.332 59 HZ3 LYS 7 HZ3 LYS 7 19.071 0.721 -14.831 60 H GLY 8 H GLY 8 16.621 4.056 -8.644 61 HA2 GLY 8 HA2 GLY 8 18.618 5.139 -8.005 62 HA3 GLY 8 HA3 GLY 8 18.533 6.109 -9.468 63 H ARG 9 H ARG 9 15.662 6.723 -8.939 64 HA ARG 9 HA ARG 9 16.098 8.722 -6.819 65 HB2 ARG 9 HB2 ARG 9 14.594 8.864 -9.416 66 HB3 ARG 9 HB3 ARG 9 14.211 9.956 -8.093 67 HG2 ARG 9 HG2 ARG 9 16.316 10.978 -8.175 68 HG3 ARG 9 HG3 ARG 9 17.001 9.677 -9.149 69 HD2 ARG 9 HD2 ARG 9 15.987 10.415 -11.087 70 HD3 ARG 9 HD3 ARG 9 14.708 11.260 -10.216 71 HE ARG 9 HE ARG 9 16.037 13.118 -10.149 72 HH11 ARG 9 HH11 ARG 9 18.002 10.346 -10.909 73 HH12 ARG 9 HH12 ARG 9 19.426 11.280 -11.233 74 HH21 ARG 9 HH21 ARG 9 17.904 14.358 -10.572 75 HH22 ARG 9 HH22 ARG 9 19.368 13.562 -11.041 76 H CYS 10 H CYS 10 15.001 8.301 -5.030 77 HA CYS 10 HA CYS 10 12.222 7.428 -5.224 78 HB2 CYS 10 HB2 CYS 10 13.955 5.471 -4.880 79 HB3 CYS 10 HB3 CYS 10 13.950 6.040 -3.214 80 H ARG 11 H ARG 11 11.056 8.775 -4.037 81 HA ARG 11 HA ARG 11 12.008 9.586 -1.404 82 HB2 ARG 11 HB2 ARG 11 11.788 11.365 -3.730 83 HB3 ARG 11 HB3 ARG 11 10.948 11.950 -2.301 84 HG2 ARG 11 HG2 ARG 11 12.868 12.265 -1.124 85 HG3 ARG 11 HG3 ARG 11 13.723 10.967 -1.960 86 HD2 ARG 11 HD2 ARG 11 14.577 12.383 -3.454 87 HD3 ARG 11 HD3 ARG 11 12.998 13.098 -3.775 88 HE ARG 11 HE ARG 11 15.061 14.179 -2.137 89 HH11 ARG 11 HH11 ARG 11 11.605 13.957 -2.487 90 HH12 ARG 11 HH12 ARG 11 11.292 15.443 -1.652 91 HH21 ARG 11 HH21 ARG 11 14.664 16.136 -1.035 92 HH22 ARG 11 HH22 ARG 11 13.034 16.682 -0.827 93 HA PRO 12 HA PRO 12 7.808 9.189 -0.202 94 HB2 PRO 12 HB2 PRO 12 7.528 11.176 1.625 95 HB3 PRO 12 HB3 PRO 12 8.466 9.711 1.935 96 HG2 PRO 12 HG2 PRO 12 9.414 12.431 1.119 97 HG3 PRO 12 HG3 PRO 12 10.093 11.326 2.329 98 HD2 PRO 12 HD2 PRO 12 11.134 11.583 -0.157 99 HD3 PRO 12 HD3 PRO 12 11.174 10.053 0.741 100 H LYS 13 H LYS 13 5.797 9.857 -0.783 101 HA LYS 13 HA LYS 13 5.598 12.093 -2.587 102 HB2 LYS 13 HB2 LYS 13 3.803 9.880 -1.711 103 HB3 LYS 13 HB3 LYS 13 3.064 11.316 -2.410 104 HG2 LYS 13 HG2 LYS 13 3.450 9.568 -4.076 105 HG3 LYS 13 HG3 LYS 13 4.359 11.038 -4.435 106 HD2 LYS 13 HD2 LYS 13 6.379 10.041 -3.536 107 HD3 LYS 13 HD3 LYS 13 5.484 8.595 -3.065 108 HE2 LYS 13 HE2 LYS 13 5.900 9.597 -5.880 109 HE3 LYS 13 HE3 LYS 13 6.721 8.226 -5.133 110 HZ1 LYS 13 HZ1 LYS 13 4.984 7.332 -6.410 111 HZ2 LYS 13 HZ2 LYS 13 3.858 8.463 -5.852 112 HZ3 LYS 13 HZ3 LYS 13 4.432 7.258 -4.812 113 HA PRO 14 HA PRO 14 4.053 15.179 0.124 114 HB2 PRO 14 HB2 PRO 14 2.218 16.429 -1.439 115 HB3 PRO 14 HB3 PRO 14 3.960 16.580 -1.693 116 HG2 PRO 14 HG2 PRO 14 1.985 14.833 -3.108 117 HG3 PRO 14 HG3 PRO 14 3.313 15.796 -3.783 118 HD2 PRO 14 HD2 PRO 14 3.507 13.125 -3.380 119 HD3 PRO 14 HD3 PRO 14 4.900 14.215 -3.241 120 H ASN 15 H ASN 15 1.605 13.237 -1.538 121 HA ASN 15 HA ASN 15 -0.386 13.852 0.489 122 HB2 ASN 15 HB2 ASN 15 -1.873 12.415 -0.891 123 HB3 ASN 15 HB3 ASN 15 -1.154 13.736 -1.808 124 HD21 ASN 15 HD21 ASN 15 -0.220 13.247 -3.659 125 HD22 ASN 15 HD22 ASN 15 0.274 11.669 -4.159 126 H CYS 16 H CYS 16 1.819 11.308 -0.381 127 HA CYS 16 HA CYS 16 0.707 9.613 1.755 128 HB2 CYS 16 HB2 CYS 16 0.897 8.759 -0.687 129 HB3 CYS 16 HB3 CYS 16 2.620 8.636 -0.348 130 H GLY 17 H GLY 17 1.988 11.324 3.051 131 HA2 GLY 17 HA2 GLY 17 4.448 10.049 3.877 132 HA3 GLY 17 HA3 GLY 17 4.663 11.652 3.187 133 HN1 NH2 18 H1 NH2 18 4.675 13.272 4.587 134 HN2 NH2 18 H2 NH2 18 3.956 13.323 6.135 Start of MODEL 13 1 H1 ARG 1 H ARG 1 0.117 -1.088 -2.771 2 HA ARG 1 HA ARG 1 1.248 0.160 -0.362 3 HB2 ARG 1 HB2 ARG 1 2.496 -1.747 -1.402 4 HB3 ARG 1 HB3 ARG 1 2.711 -0.758 -2.841 5 HG2 ARG 1 HG2 ARG 1 4.690 -0.363 -1.791 6 HG3 ARG 1 HG3 ARG 1 3.722 0.947 -1.109 7 HD2 ARG 1 HD2 ARG 1 3.746 -1.681 0.288 8 HD3 ARG 1 HD3 ARG 1 5.170 -0.649 0.420 9 HE ARG 1 HE ARG 1 2.800 0.812 0.965 10 HH11 ARG 1 HH11 ARG 1 4.987 -1.520 2.341 11 HH12 ARG 1 HH12 ARG 1 4.652 -1.064 3.979 12 HH21 ARG 1 HH21 ARG 1 2.350 1.422 3.116 13 HH22 ARG 1 HH22 ARG 1 3.151 0.610 4.419 14 H CYS 2 H CYS 2 1.859 2.258 -0.353 15 HA CYS 2 HA CYS 2 1.300 3.806 -2.792 16 HB2 CYS 2 HB2 CYS 2 0.050 4.210 -0.540 17 HB3 CYS 2 HB3 CYS 2 1.535 5.026 -0.060 18 H LYS 3 H LYS 3 3.711 2.580 -2.805 19 HA LYS 3 HA LYS 3 5.587 4.784 -2.245 20 HB2 LYS 3 HB2 LYS 3 5.891 1.825 -1.868 21 HB3 LYS 3 HB3 LYS 3 7.309 2.811 -2.205 22 HG2 LYS 3 HG2 LYS 3 6.688 4.228 -0.241 23 HG3 LYS 3 HG3 LYS 3 5.434 3.043 0.136 24 HD2 LYS 3 HD2 LYS 3 7.378 1.326 0.024 25 HD3 LYS 3 HD3 LYS 3 8.412 2.743 0.223 26 HE2 LYS 3 HE2 LYS 3 7.297 3.308 2.294 27 HE3 LYS 3 HE3 LYS 3 6.155 1.983 2.074 28 HZ1 LYS 3 HZ1 LYS 3 7.875 0.401 2.374 29 HZ2 LYS 3 HZ2 LYS 3 8.018 1.516 3.638 30 HZ3 LYS 3 HZ3 LYS 3 9.083 1.586 2.325 31 H THR 4 H THR 4 6.424 5.649 -4.015 32 HA THR 4 HA THR 4 6.822 3.941 -6.379 33 HB THR 4 HB THR 4 6.015 6.826 -6.646 34 HG1 THR 4 HG1 THR 4 3.917 6.258 -6.604 35 HG21 THR 4 HG21 THR 4 5.096 5.736 -8.837 36 HG22 THR 4 HG22 THR 4 6.234 4.446 -8.444 37 HG23 THR 4 HG23 THR 4 6.816 6.093 -8.687 38 H CYS 5 H CYS 5 8.885 3.900 -6.955 39 HA CYS 5 HA CYS 5 10.509 6.325 -6.591 40 HB2 CYS 5 HB2 CYS 5 11.385 3.492 -5.988 41 HB3 CYS 5 HB3 CYS 5 12.425 4.911 -5.937 42 H SER 6 H SER 6 11.388 6.978 -8.432 43 HA SER 6 HA SER 6 11.184 5.463 -10.826 44 HB2 SER 6 HB2 SER 6 11.177 7.997 -10.629 45 HB3 SER 6 HB3 SER 6 12.924 7.898 -10.410 46 HG SER 6 HG SER 6 12.775 8.090 -12.541 47 H LYS 7 H LYS 7 13.161 5.204 -12.290 48 HA LYS 7 HA LYS 7 14.930 3.361 -11.088 49 HB2 LYS 7 HB2 LYS 7 15.178 4.766 -13.754 50 HB3 LYS 7 HB3 LYS 7 16.065 3.331 -13.265 51 HG2 LYS 7 HG2 LYS 7 13.881 2.148 -13.034 52 HG3 LYS 7 HG3 LYS 7 13.104 3.572 -13.730 53 HD2 LYS 7 HD2 LYS 7 13.404 2.253 -15.598 54 HD3 LYS 7 HD3 LYS 7 14.864 3.245 -15.634 55 HE2 LYS 7 HE2 LYS 7 15.799 1.187 -15.927 56 HE3 LYS 7 HE3 LYS 7 15.812 1.262 -14.165 57 HZ1 LYS 7 HZ1 LYS 7 14.616 -0.583 -14.155 58 HZ2 LYS 7 HZ2 LYS 7 14.492 -0.581 -15.841 59 HZ3 LYS 7 HZ3 LYS 7 13.343 0.239 -14.908 60 H GLY 8 H GLY 8 16.247 4.110 -9.509 61 HA2 GLY 8 HA2 GLY 8 18.475 4.908 -9.087 62 HA3 GLY 8 HA3 GLY 8 18.225 6.135 -10.319 63 H ARG 9 H ARG 9 15.505 6.720 -9.238 64 HA ARG 9 HA ARG 9 16.372 8.279 -6.892 65 HB2 ARG 9 HB2 ARG 9 14.508 8.936 -9.154 66 HB3 ARG 9 HB3 ARG 9 14.364 9.763 -7.608 67 HG2 ARG 9 HG2 ARG 9 16.436 10.792 -7.822 68 HG3 ARG 9 HG3 ARG 9 16.985 9.644 -9.045 69 HD2 ARG 9 HD2 ARG 9 15.235 10.567 -10.575 70 HD3 ARG 9 HD3 ARG 9 14.914 11.809 -9.365 71 HE ARG 9 HE ARG 9 16.843 12.881 -9.993 72 HH11 ARG 9 HH11 ARG 9 16.819 9.663 -11.324 73 HH12 ARG 9 HH12 ARG 9 18.208 9.928 -12.327 74 HH21 ARG 9 HH21 ARG 9 18.670 13.240 -11.309 75 HH22 ARG 9 HH22 ARG 9 19.260 11.962 -12.317 76 H CYS 10 H CYS 10 15.192 8.194 -5.052 77 HA CYS 10 HA CYS 10 12.557 6.954 -5.065 78 HB2 CYS 10 HB2 CYS 10 14.199 5.097 -4.772 79 HB3 CYS 10 HB3 CYS 10 14.778 5.891 -3.310 80 H ARG 11 H ARG 11 11.290 8.246 -3.924 81 HA ARG 11 HA ARG 11 12.137 9.224 -1.333 82 HB2 ARG 11 HB2 ARG 11 11.790 10.983 -3.711 83 HB3 ARG 11 HB3 ARG 11 11.190 11.570 -2.165 84 HG2 ARG 11 HG2 ARG 11 13.508 11.025 -1.253 85 HG3 ARG 11 HG3 ARG 11 14.003 10.890 -2.942 86 HD2 ARG 11 HD2 ARG 11 12.961 13.207 -3.239 87 HD3 ARG 11 HD3 ARG 11 12.962 13.294 -1.477 88 HE ARG 11 HE ARG 11 15.214 13.576 -3.216 89 HH11 ARG 11 HH11 ARG 11 14.209 12.552 -0.044 90 HH12 ARG 11 HH12 ARG 11 15.756 12.838 0.682 91 HH21 ARG 11 HH21 ARG 11 17.255 13.955 -2.274 92 HH22 ARG 11 HH22 ARG 11 17.488 13.636 -0.588 93 HA PRO 12 HA PRO 12 7.894 8.780 -0.315 94 HB2 PRO 12 HB2 PRO 12 7.496 10.809 1.444 95 HB3 PRO 12 HB3 PRO 12 8.445 9.371 1.836 96 HG2 PRO 12 HG2 PRO 12 9.381 12.085 0.992 97 HG3 PRO 12 HG3 PRO 12 10.022 11.025 2.260 98 HD2 PRO 12 HD2 PRO 12 11.174 11.235 -0.183 99 HD3 PRO 12 HD3 PRO 12 11.198 9.730 0.758 100 H LYS 13 H LYS 13 5.901 9.396 -1.002 101 HA LYS 13 HA LYS 13 5.754 11.617 -2.844 102 HB2 LYS 13 HB2 LYS 13 3.903 9.393 -2.054 103 HB3 LYS 13 HB3 LYS 13 3.289 10.769 -2.962 104 HG2 LYS 13 HG2 LYS 13 5.343 10.217 -4.521 105 HG3 LYS 13 HG3 LYS 13 5.154 8.616 -3.803 106 HD2 LYS 13 HD2 LYS 13 2.734 10.010 -4.841 107 HD3 LYS 13 HD3 LYS 13 3.859 9.296 -5.998 108 HE2 LYS 13 HE2 LYS 13 3.690 7.175 -4.585 109 HE3 LYS 13 HE3 LYS 13 2.296 7.937 -3.821 110 HZ1 LYS 13 HZ1 LYS 13 2.035 6.402 -5.912 111 HZ2 LYS 13 HZ2 LYS 13 2.382 7.831 -6.746 112 HZ3 LYS 13 HZ3 LYS 13 1.052 7.763 -5.703 113 HA PRO 14 HA PRO 14 3.892 14.621 -0.242 114 HB2 PRO 14 HB2 PRO 14 2.126 15.805 -1.929 115 HB3 PRO 14 HB3 PRO 14 3.874 16.028 -2.058 116 HG2 PRO 14 HG2 PRO 14 2.078 14.210 -3.616 117 HG3 PRO 14 HG3 PRO 14 3.410 15.229 -4.191 118 HD2 PRO 14 HD2 PRO 14 3.685 12.566 -3.783 119 HD3 PRO 14 HD3 PRO 14 5.019 13.713 -3.540 120 H ASN 15 H ASN 15 1.575 12.723 -2.154 121 HA ASN 15 HA ASN 15 -0.628 13.261 -0.417 122 HB2 ASN 15 HB2 ASN 15 -0.158 11.374 -2.705 123 HB3 ASN 15 HB3 ASN 15 -1.609 11.229 -1.716 124 HD21 ASN 15 HD21 ASN 15 0.133 13.195 -3.987 125 HD22 ASN 15 HD22 ASN 15 -1.173 14.256 -4.380 126 H CYS 16 H CYS 16 1.881 10.857 -0.560 127 HA CYS 16 HA CYS 16 1.037 9.818 2.015 128 HB2 CYS 16 HB2 CYS 16 1.162 7.462 1.258 129 HB3 CYS 16 HB3 CYS 16 -0.161 8.345 0.502 130 H GLY 17 H GLY 17 2.748 9.431 3.280 131 HA2 GLY 17 HA2 GLY 17 4.923 8.482 3.661 132 HA3 GLY 17 HA3 GLY 17 5.344 8.886 2.002 133 HN1 NH2 18 H1 NH2 18 6.622 9.536 4.630 134 HN2 NH2 18 H2 NH2 18 6.838 11.229 4.660 Start of MODEL 14 1 H1 ARG 1 H ARG 1 -2.308 6.735 -6.121 2 HA ARG 1 HA ARG 1 -2.054 4.799 -3.959 3 HB2 ARG 1 HB2 ARG 1 -1.082 3.327 -5.636 4 HB3 ARG 1 HB3 ARG 1 -2.595 4.004 -6.225 5 HG2 ARG 1 HG2 ARG 1 -1.006 5.796 -7.298 6 HG3 ARG 1 HG3 ARG 1 0.193 4.511 -7.128 7 HD2 ARG 1 HD2 ARG 1 -1.549 3.009 -8.264 8 HD3 ARG 1 HD3 ARG 1 -2.352 4.511 -8.717 9 HE ARG 1 HE ARG 1 0.090 3.447 -9.812 10 HH11 ARG 1 HH11 ARG 1 -1.850 6.296 -9.328 11 HH12 ARG 1 HH12 ARG 1 -1.151 7.156 -10.660 12 HH21 ARG 1 HH21 ARG 1 1.017 4.569 -11.568 13 HH22 ARG 1 HH22 ARG 1 0.478 6.173 -11.934 14 H CYS 2 H CYS 2 -0.069 4.083 -3.135 15 HA CYS 2 HA CYS 2 2.055 6.091 -3.284 16 HB2 CYS 2 HB2 CYS 2 0.992 5.108 -1.093 17 HB3 CYS 2 HB3 CYS 2 2.099 3.771 -1.391 18 H LYS 3 H LYS 3 2.419 5.125 -5.529 19 HA LYS 3 HA LYS 3 3.450 2.603 -5.991 20 HB2 LYS 3 HB2 LYS 3 2.941 4.622 -7.602 21 HB3 LYS 3 HB3 LYS 3 4.655 4.958 -7.390 22 HG2 LYS 3 HG2 LYS 3 5.306 3.061 -8.499 23 HG3 LYS 3 HG3 LYS 3 3.809 2.202 -8.135 24 HD2 LYS 3 HD2 LYS 3 2.752 4.086 -9.639 25 HD3 LYS 3 HD3 LYS 3 4.393 4.188 -10.279 26 HE2 LYS 3 HE2 LYS 3 3.089 1.518 -10.021 27 HE3 LYS 3 HE3 LYS 3 2.630 2.574 -11.357 28 HZ1 LYS 3 HZ1 LYS 3 5.089 2.738 -11.829 29 HZ2 LYS 3 HZ2 LYS 3 4.369 1.244 -12.158 30 HZ3 LYS 3 HZ3 LYS 3 5.299 1.443 -10.761 31 H THR 4 H THR 4 5.744 2.046 -6.525 32 HA THR 4 HA THR 4 7.418 2.711 -4.265 33 HB THR 4 HB THR 4 7.247 0.380 -5.122 34 HG1 THR 4 HG1 THR 4 9.915 1.286 -5.426 35 HG21 THR 4 HG21 THR 4 7.304 1.231 -7.572 36 HG22 THR 4 HG22 THR 4 8.104 -0.290 -7.177 37 HG23 THR 4 HG23 THR 4 9.054 1.182 -7.373 38 H CYS 5 H CYS 5 9.637 3.401 -4.472 39 HA CYS 5 HA CYS 5 9.997 5.717 -5.930 40 HB2 CYS 5 HB2 CYS 5 12.022 3.789 -4.793 41 HB3 CYS 5 HB3 CYS 5 12.473 5.331 -5.511 42 H SER 6 H SER 6 11.620 6.155 -7.642 43 HA SER 6 HA SER 6 11.282 4.222 -9.805 44 HB2 SER 6 HB2 SER 6 10.740 6.696 -10.067 45 HB3 SER 6 HB3 SER 6 12.479 6.986 -10.016 46 HG SER 6 HG SER 6 11.397 5.105 -11.807 47 H LYS 7 H LYS 7 13.190 4.082 -11.370 48 HA LYS 7 HA LYS 7 15.396 2.964 -9.977 49 HB2 LYS 7 HB2 LYS 7 14.646 3.380 -12.824 50 HB3 LYS 7 HB3 LYS 7 16.347 3.107 -12.474 51 HG2 LYS 7 HG2 LYS 7 15.553 0.979 -12.900 52 HG3 LYS 7 HG3 LYS 7 15.519 1.067 -11.137 53 HD2 LYS 7 HD2 LYS 7 13.082 1.913 -12.608 54 HD3 LYS 7 HD3 LYS 7 13.449 0.188 -12.555 55 HE2 LYS 7 HE2 LYS 7 13.597 1.726 -10.017 56 HE3 LYS 7 HE3 LYS 7 12.000 1.377 -10.680 57 HZ1 LYS 7 HZ1 LYS 7 12.257 -0.857 -10.372 58 HZ2 LYS 7 HZ2 LYS 7 13.164 -0.285 -9.064 59 HZ3 LYS 7 HZ3 LYS 7 13.945 -0.808 -10.470 60 H GLY 8 H GLY 8 16.730 4.253 -8.855 61 HA2 GLY 8 HA2 GLY 8 18.653 5.623 -8.800 62 HA3 GLY 8 HA3 GLY 8 18.170 6.322 -10.339 63 H ARG 9 H ARG 9 15.393 6.726 -9.324 64 HA ARG 9 HA ARG 9 15.953 9.078 -7.638 65 HB2 ARG 9 HB2 ARG 9 14.003 8.654 -9.885 66 HB3 ARG 9 HB3 ARG 9 13.722 9.897 -8.673 67 HG2 ARG 9 HG2 ARG 9 15.648 11.091 -9.295 68 HG3 ARG 9 HG3 ARG 9 16.285 9.733 -10.224 69 HD2 ARG 9 HD2 ARG 9 13.768 11.251 -10.900 70 HD3 ARG 9 HD3 ARG 9 15.344 11.551 -11.630 71 HE ARG 9 HE ARG 9 14.916 8.897 -12.046 72 HH11 ARG 9 HH11 ARG 9 13.128 11.799 -12.751 73 HH12 ARG 9 HH12 ARG 9 12.377 11.148 -14.171 74 HH21 ARG 9 HH21 ARG 9 13.935 8.028 -13.913 75 HH22 ARG 9 HH22 ARG 9 12.837 9.004 -14.830 76 H CYS 10 H CYS 10 15.305 8.774 -5.619 77 HA CYS 10 HA CYS 10 12.698 7.501 -5.155 78 HB2 CYS 10 HB2 CYS 10 14.466 5.847 -4.683 79 HB3 CYS 10 HB3 CYS 10 15.205 6.969 -3.546 80 H ARG 11 H ARG 11 11.405 8.833 -4.093 81 HA ARG 11 HA ARG 11 12.431 10.441 -1.900 82 HB2 ARG 11 HB2 ARG 11 11.460 11.559 -4.482 83 HB3 ARG 11 HB3 ARG 11 10.980 12.385 -3.005 84 HG2 ARG 11 HG2 ARG 11 13.543 12.239 -2.464 85 HG3 ARG 11 HG3 ARG 11 13.678 12.075 -4.216 86 HD2 ARG 11 HD2 ARG 11 13.843 14.368 -3.890 87 HD3 ARG 11 HD3 ARG 11 12.143 14.144 -4.302 88 HE ARG 11 HE ARG 11 12.577 14.053 -1.486 89 HH11 ARG 11 HH11 ARG 11 12.243 16.209 -4.199 90 HH12 ARG 11 HH12 ARG 11 11.670 17.535 -3.243 91 HH21 ARG 11 HH21 ARG 11 11.822 15.791 -0.217 92 HH22 ARG 11 HH22 ARG 11 11.432 17.297 -0.977 93 HA PRO 12 HA PRO 12 8.517 9.659 -0.082 94 HB2 PRO 12 HB2 PRO 12 8.033 11.954 1.283 95 HB3 PRO 12 HB3 PRO 12 9.260 10.783 1.779 96 HG2 PRO 12 HG2 PRO 12 9.587 13.343 0.262 97 HG3 PRO 12 HG3 PRO 12 10.576 12.690 1.582 98 HD2 PRO 12 HD2 PRO 12 11.312 12.507 -1.019 99 HD3 PRO 12 HD3 PRO 12 11.728 11.266 0.182 100 H LYS 13 H LYS 13 6.370 9.827 -0.515 101 HA LYS 13 HA LYS 13 5.583 11.544 -2.703 102 HB2 LYS 13 HB2 LYS 13 4.403 9.226 -1.262 103 HB3 LYS 13 HB3 LYS 13 3.287 10.334 -2.051 104 HG2 LYS 13 HG2 LYS 13 4.942 9.998 -4.080 105 HG3 LYS 13 HG3 LYS 13 5.288 8.488 -3.232 106 HD2 LYS 13 HD2 LYS 13 2.873 7.976 -3.226 107 HD3 LYS 13 HD3 LYS 13 2.577 9.455 -4.142 108 HE2 LYS 13 HE2 LYS 13 4.429 7.288 -5.105 109 HE3 LYS 13 HE3 LYS 13 2.704 7.295 -5.471 110 HZ1 LYS 13 HZ1 LYS 13 4.174 8.315 -7.198 111 HZ2 LYS 13 HZ2 LYS 13 4.500 9.565 -6.107 112 HZ3 LYS 13 HZ3 LYS 13 2.921 9.313 -6.654 113 HA PRO 14 HA PRO 14 3.617 14.757 -0.452 114 HB2 PRO 14 HB2 PRO 14 1.452 15.284 -2.002 115 HB3 PRO 14 HB3 PRO 14 3.099 15.715 -2.474 116 HG2 PRO 14 HG2 PRO 14 1.442 13.366 -3.311 117 HG3 PRO 14 HG3 PRO 14 2.483 14.409 -4.298 118 HD2 PRO 14 HD2 PRO 14 3.268 11.966 -3.433 119 HD3 PRO 14 HD3 PRO 14 4.405 13.311 -3.654 120 H ASN 15 H ASN 15 1.569 12.044 -1.405 121 HA ASN 15 HA ASN 15 -0.383 12.675 0.660 122 HB2 ASN 15 HB2 ASN 15 -0.922 11.772 -1.701 123 HB3 ASN 15 HB3 ASN 15 -0.410 10.210 -1.068 124 HD21 ASN 15 HD21 ASN 15 -1.704 9.122 0.344 125 HD22 ASN 15 HD22 ASN 15 -3.304 9.629 0.753 126 H CYS 16 H CYS 16 2.271 10.506 0.075 127 HA CYS 16 HA CYS 16 1.617 8.840 2.368 128 HB2 CYS 16 HB2 CYS 16 4.096 8.715 0.649 129 HB3 CYS 16 HB3 CYS 16 3.455 7.458 1.702 130 H GLY 17 H GLY 17 2.448 9.077 4.349 131 HA2 GLY 17 HA2 GLY 17 4.320 9.541 5.803 132 HA3 GLY 17 HA3 GLY 17 4.831 10.782 4.669 133 HN1 NH2 18 H1 NH2 18 4.374 11.002 7.539 134 HN2 NH2 18 H2 NH2 18 3.190 12.206 7.795 Start of MODEL 15 1 H1 ARG 1 H ARG 1 1.070 -0.889 -2.556 2 HA ARG 1 HA ARG 1 1.582 0.285 0.033 3 HB2 ARG 1 HB2 ARG 1 3.952 0.834 -0.511 4 HB3 ARG 1 HB3 ARG 1 3.667 -0.880 -0.248 5 HG2 ARG 1 HG2 ARG 1 3.441 -1.015 -2.808 6 HG3 ARG 1 HG3 ARG 1 4.229 0.563 -2.806 7 HD2 ARG 1 HD2 ARG 1 6.079 -0.421 -1.476 8 HD3 ARG 1 HD3 ARG 1 5.305 -1.999 -1.637 9 HE ARG 1 HE ARG 1 5.816 -0.682 -4.145 10 HH11 ARG 1 HH11 ARG 1 7.109 -2.773 -1.681 11 HH12 ARG 1 HH12 ARG 1 8.266 -3.517 -2.736 12 HH21 ARG 1 HH21 ARG 1 7.333 -1.653 -5.543 13 HH22 ARG 1 HH22 ARG 1 8.392 -2.879 -4.932 14 H CYS 2 H CYS 2 2.644 2.550 -0.340 15 HA CYS 2 HA CYS 2 1.493 3.742 -2.775 16 HB2 CYS 2 HB2 CYS 2 0.815 5.695 -1.458 17 HB3 CYS 2 HB3 CYS 2 0.051 4.230 -0.848 18 H LYS 3 H LYS 3 4.186 2.916 -2.423 19 HA LYS 3 HA LYS 3 5.550 5.528 -2.417 20 HB2 LYS 3 HB2 LYS 3 6.078 3.751 -0.557 21 HB3 LYS 3 HB3 LYS 3 7.021 2.986 -1.831 22 HG2 LYS 3 HG2 LYS 3 8.272 5.099 -2.119 23 HG3 LYS 3 HG3 LYS 3 7.380 5.774 -0.753 24 HD2 LYS 3 HD2 LYS 3 9.010 3.249 -0.573 25 HD3 LYS 3 HD3 LYS 3 9.667 4.849 -0.220 26 HE2 LYS 3 HE2 LYS 3 7.846 5.135 1.467 27 HE3 LYS 3 HE3 LYS 3 7.395 3.454 1.188 28 HZ1 LYS 3 HZ1 LYS 3 10.193 3.834 1.751 29 HZ2 LYS 3 HZ2 LYS 3 9.101 2.720 2.403 30 HZ3 LYS 3 HZ3 LYS 3 9.179 4.291 3.026 31 H THR 4 H THR 4 6.122 6.085 -4.404 32 HA THR 4 HA THR 4 6.842 3.965 -6.317 33 HB THR 4 HB THR 4 6.097 6.759 -7.133 34 HG1 THR 4 HG1 THR 4 4.037 6.345 -6.812 35 HG21 THR 4 HG21 THR 4 5.143 4.840 -8.930 36 HG22 THR 4 HG22 THR 4 6.745 4.277 -8.454 37 HG23 THR 4 HG23 THR 4 6.545 5.891 -9.138 38 H CYS 5 H CYS 5 8.941 3.786 -6.695 39 HA CYS 5 HA CYS 5 10.618 6.203 -6.509 40 HB2 CYS 5 HB2 CYS 5 11.436 3.321 -6.076 41 HB3 CYS 5 HB3 CYS 5 12.488 4.726 -5.932 42 H SER 6 H SER 6 11.448 6.900 -8.354 43 HA SER 6 HA SER 6 11.165 5.423 -10.780 44 HB2 SER 6 HB2 SER 6 11.220 8.029 -10.339 45 HB3 SER 6 HB3 SER 6 12.951 7.816 -10.601 46 HG SER 6 HG SER 6 10.992 7.933 -12.413 47 H LYS 7 H LYS 7 13.099 5.260 -12.313 48 HA LYS 7 HA LYS 7 14.961 3.449 -11.222 49 HB2 LYS 7 HB2 LYS 7 14.125 3.861 -13.696 50 HB3 LYS 7 HB3 LYS 7 15.554 4.885 -13.773 51 HG2 LYS 7 HG2 LYS 7 16.231 2.793 -14.584 52 HG3 LYS 7 HG3 LYS 7 16.864 2.884 -12.939 53 HD2 LYS 7 HD2 LYS 7 15.236 1.407 -12.113 54 HD3 LYS 7 HD3 LYS 7 14.217 1.598 -13.541 55 HE2 LYS 7 HE2 LYS 7 15.735 0.351 -14.886 56 HE3 LYS 7 HE3 LYS 7 16.961 0.362 -13.620 57 HZ1 LYS 7 HZ1 LYS 7 14.673 -0.762 -12.523 58 HZ2 LYS 7 HZ2 LYS 7 16.126 -1.540 -12.899 59 HZ3 LYS 7 HZ3 LYS 7 14.877 -1.488 -14.038 60 H GLY 8 H GLY 8 16.247 4.222 -9.614 61 HA2 GLY 8 HA2 GLY 8 18.480 5.064 -9.232 62 HA3 GLY 8 HA3 GLY 8 18.147 6.338 -10.395 63 H ARG 9 H ARG 9 15.440 6.759 -9.212 64 HA ARG 9 HA ARG 9 16.309 8.226 -6.809 65 HB2 ARG 9 HB2 ARG 9 14.345 8.942 -8.970 66 HB3 ARG 9 HB3 ARG 9 14.278 9.708 -7.389 67 HG2 ARG 9 HG2 ARG 9 16.318 10.777 -7.679 68 HG3 ARG 9 HG3 ARG 9 16.822 9.673 -8.959 69 HD2 ARG 9 HD2 ARG 9 14.435 11.441 -9.323 70 HD3 ARG 9 HD3 ARG 9 16.062 12.071 -9.577 71 HE ARG 9 HE ARG 9 14.601 10.384 -11.331 72 HH11 ARG 9 HH11 ARG 9 17.813 11.048 -10.167 73 HH12 ARG 9 HH12 ARG 9 18.595 10.469 -11.602 74 HH21 ARG 9 HH21 ARG 9 15.616 9.619 -13.225 75 HH22 ARG 9 HH22 ARG 9 17.343 9.656 -13.340 76 H CYS 10 H CYS 10 15.102 8.094 -4.967 77 HA CYS 10 HA CYS 10 12.537 6.723 -5.004 78 HB2 CYS 10 HB2 CYS 10 14.268 4.934 -4.777 79 HB3 CYS 10 HB3 CYS 10 14.811 5.704 -3.290 80 H ARG 11 H ARG 11 11.302 8.146 -3.972 81 HA ARG 11 HA ARG 11 12.041 8.962 -1.280 82 HB2 ARG 11 HB2 ARG 11 11.842 10.812 -3.599 83 HB3 ARG 11 HB3 ARG 11 11.145 11.351 -2.078 84 HG2 ARG 11 HG2 ARG 11 13.215 11.280 -0.978 85 HG3 ARG 11 HG3 ARG 11 13.955 10.319 -2.259 86 HD2 ARG 11 HD2 ARG 11 14.010 12.153 -3.739 87 HD3 ARG 11 HD3 ARG 11 12.902 13.092 -2.740 88 HE ARG 11 HE ARG 11 15.343 12.439 -1.389 89 HH11 ARG 11 HH11 ARG 11 13.835 14.657 -3.610 90 HH12 ARG 11 HH12 ARG 11 14.925 15.956 -3.258 91 HH21 ARG 11 HH21 ARG 11 16.785 14.143 -0.917 92 HH22 ARG 11 HH22 ARG 11 16.604 15.662 -1.727 93 HA PRO 12 HA PRO 12 7.753 8.547 -0.451 94 HB2 PRO 12 HB2 PRO 12 7.314 10.511 1.371 95 HB3 PRO 12 HB3 PRO 12 8.225 9.043 1.743 96 HG2 PRO 12 HG2 PRO 12 9.233 11.773 1.046 97 HG3 PRO 12 HG3 PRO 12 9.809 10.654 2.294 98 HD2 PRO 12 HD2 PRO 12 11.060 10.943 -0.089 99 HD3 PRO 12 HD3 PRO 12 11.024 9.401 0.790 100 H LYS 13 H LYS 13 5.798 9.224 -1.191 101 HA LYS 13 HA LYS 13 5.755 11.498 -2.963 102 HB2 LYS 13 HB2 LYS 13 4.082 9.141 -2.456 103 HB3 LYS 13 HB3 LYS 13 3.166 10.590 -2.850 104 HG2 LYS 13 HG2 LYS 13 4.109 10.765 -4.963 105 HG3 LYS 13 HG3 LYS 13 5.483 9.739 -4.541 106 HD2 LYS 13 HD2 LYS 13 4.014 8.485 -5.963 107 HD3 LYS 13 HD3 LYS 13 3.901 7.824 -4.331 108 HE2 LYS 13 HE2 LYS 13 1.818 8.923 -3.952 109 HE3 LYS 13 HE3 LYS 13 1.973 9.854 -5.441 110 HZ1 LYS 13 HZ1 LYS 13 0.531 7.656 -5.284 111 HZ2 LYS 13 HZ2 LYS 13 2.014 6.950 -5.691 112 HZ3 LYS 13 HZ3 LYS 13 1.325 8.115 -6.707 113 HA PRO 14 HA PRO 14 3.910 14.492 -0.339 114 HB2 PRO 14 HB2 PRO 14 2.223 15.766 -2.042 115 HB3 PRO 14 HB3 PRO 14 3.980 15.943 -2.120 116 HG2 PRO 14 HG2 PRO 14 2.175 14.214 -3.767 117 HG3 PRO 14 HG3 PRO 14 3.550 15.206 -4.284 118 HD2 PRO 14 HD2 PRO 14 3.739 12.528 -3.932 119 HD3 PRO 14 HD3 PRO 14 5.097 13.629 -3.628 120 H ASN 15 H ASN 15 1.667 12.565 -2.279 121 HA ASN 15 HA ASN 15 -0.621 13.187 -0.679 122 HB2 ASN 15 HB2 ASN 15 -0.580 12.396 -3.127 123 HB3 ASN 15 HB3 ASN 15 -0.362 10.777 -2.468 124 HD21 ASN 15 HD21 ASN 15 -2.406 13.621 -1.873 125 HD22 ASN 15 HD22 ASN 15 -3.885 12.737 -1.735 126 H CYS 16 H CYS 16 1.887 10.779 -0.599 127 HA CYS 16 HA CYS 16 0.589 9.559 1.748 128 HB2 CYS 16 HB2 CYS 16 1.095 8.248 -0.590 129 HB3 CYS 16 HB3 CYS 16 2.570 7.916 0.313 130 H GLY 17 H GLY 17 2.294 11.807 1.870 131 HA2 GLY 17 HA2 GLY 17 4.600 10.612 3.275 132 HA3 GLY 17 HA3 GLY 17 4.787 12.031 2.255 133 HN1 NH2 18 H1 NH2 18 2.669 13.585 2.933 134 HN2 NH2 18 H2 NH2 18 2.732 14.079 4.566 Start of MODEL 16 1 H1 ARG 1 H ARG 1 1.634 -1.118 -2.001 2 HA ARG 1 HA ARG 1 1.929 -0.207 -4.167 3 HB2 ARG 1 HB2 ARG 1 -0.163 -1.702 -3.809 4 HB3 ARG 1 HB3 ARG 1 -1.067 -0.204 -3.982 5 HG2 ARG 1 HG2 ARG 1 0.282 0.074 -6.172 6 HG3 ARG 1 HG3 ARG 1 0.586 -1.656 -6.002 7 HD2 ARG 1 HD2 ARG 1 -2.110 -0.308 -6.140 8 HD3 ARG 1 HD3 ARG 1 -1.356 -1.274 -7.406 9 HE ARG 1 HE ARG 1 -1.471 -2.929 -5.227 10 HH11 ARG 1 HH11 ARG 1 -3.775 -1.107 -7.098 11 HH12 ARG 1 HH12 ARG 1 -5.076 -2.215 -6.815 12 HH21 ARG 1 HH21 ARG 1 -3.177 -4.395 -4.849 13 HH22 ARG 1 HH22 ARG 1 -4.736 -4.084 -5.536 14 H CYS 2 H CYS 2 2.091 1.965 -2.347 15 HA CYS 2 HA CYS 2 0.659 4.052 -3.859 16 HB2 CYS 2 HB2 CYS 2 -0.181 3.929 -1.573 17 HB3 CYS 2 HB3 CYS 2 1.456 4.060 -0.940 18 H LYS 3 H LYS 3 3.645 3.096 -2.271 19 HA LYS 3 HA LYS 3 5.038 5.493 -3.103 20 HB2 LYS 3 HB2 LYS 3 5.423 3.985 -0.974 21 HB3 LYS 3 HB3 LYS 3 6.451 3.070 -2.069 22 HG2 LYS 3 HG2 LYS 3 6.796 6.024 -1.865 23 HG3 LYS 3 HG3 LYS 3 7.449 4.976 -0.602 24 HD2 LYS 3 HD2 LYS 3 8.002 4.346 -3.469 25 HD3 LYS 3 HD3 LYS 3 8.914 5.629 -2.670 26 HE2 LYS 3 HE2 LYS 3 10.267 3.852 -2.205 27 HE3 LYS 3 HE3 LYS 3 9.198 3.780 -0.805 28 HZ1 LYS 3 HZ1 LYS 3 8.304 1.858 -1.486 29 HZ2 LYS 3 HZ2 LYS 3 9.699 1.713 -2.430 30 HZ3 LYS 3 HZ3 LYS 3 8.272 2.310 -3.116 31 H THR 4 H THR 4 5.703 5.733 -5.125 32 HA THR 4 HA THR 4 6.872 3.417 -6.509 33 HB THR 4 HB THR 4 4.722 3.602 -7.516 34 HG1 THR 4 HG1 THR 4 5.531 3.594 -9.477 35 HG21 THR 4 HG21 THR 4 4.547 6.129 -8.666 36 HG22 THR 4 HG22 THR 4 5.099 6.433 -7.018 37 HG23 THR 4 HG23 THR 4 3.611 5.527 -7.297 38 H CYS 5 H CYS 5 8.587 3.858 -7.879 39 HA CYS 5 HA CYS 5 9.371 6.469 -8.651 40 HB2 CYS 5 HB2 CYS 5 11.348 6.751 -7.264 41 HB3 CYS 5 HB3 CYS 5 9.920 6.623 -6.241 42 H SER 6 H SER 6 11.785 6.405 -9.402 43 HA SER 6 HA SER 6 12.042 3.997 -11.023 44 HB2 SER 6 HB2 SER 6 13.907 6.335 -11.228 45 HB3 SER 6 HB3 SER 6 13.334 5.249 -12.496 46 HG SER 6 HG SER 6 12.302 7.229 -12.702 47 H LYS 7 H LYS 7 14.365 3.257 -11.441 48 HA LYS 7 HA LYS 7 15.456 2.363 -8.968 49 HB2 LYS 7 HB2 LYS 7 16.255 2.073 -11.848 50 HB3 LYS 7 HB3 LYS 7 17.332 1.532 -10.568 51 HG2 LYS 7 HG2 LYS 7 14.480 0.621 -10.709 52 HG3 LYS 7 HG3 LYS 7 15.762 -0.184 -11.615 53 HD2 LYS 7 HD2 LYS 7 16.163 0.314 -8.706 54 HD3 LYS 7 HD3 LYS 7 15.083 -0.991 -9.200 55 HE2 LYS 7 HE2 LYS 7 16.925 -1.881 -10.623 56 HE3 LYS 7 HE3 LYS 7 17.986 -0.650 -9.942 57 HZ1 LYS 7 HZ1 LYS 7 17.867 -1.618 -7.834 58 HZ2 LYS 7 HZ2 LYS 7 18.046 -2.932 -8.884 59 HZ3 LYS 7 HZ3 LYS 7 16.526 -2.570 -8.232 60 H GLY 8 H GLY 8 16.671 3.552 -7.658 61 HA2 GLY 8 HA2 GLY 8 18.678 4.667 -7.110 62 HA3 GLY 8 HA3 GLY 8 18.856 5.126 -8.797 63 H ARG 9 H ARG 9 16.018 6.041 -8.885 64 HA ARG 9 HA ARG 9 16.398 8.575 -7.432 65 HB2 ARG 9 HB2 ARG 9 15.228 7.994 -10.139 66 HB3 ARG 9 HB3 ARG 9 14.829 9.473 -9.276 67 HG2 ARG 9 HG2 ARG 9 17.018 10.271 -9.393 68 HG3 ARG 9 HG3 ARG 9 17.673 8.677 -9.771 69 HD2 ARG 9 HD2 ARG 9 16.865 8.743 -11.971 70 HD3 ARG 9 HD3 ARG 9 15.756 10.067 -11.613 71 HE ARG 9 HE ARG 9 17.452 11.539 -12.028 72 HH11 ARG 9 HH11 ARG 9 18.814 8.384 -11.473 73 HH12 ARG 9 HH12 ARG 9 20.425 8.861 -11.894 74 HH21 ARG 9 HH21 ARG 9 19.569 12.181 -12.585 75 HH22 ARG 9 HH22 ARG 9 20.854 11.022 -12.525 76 H CYS 10 H CYS 10 15.090 8.698 -5.737 77 HA CYS 10 HA CYS 10 12.260 8.083 -6.080 78 HB2 CYS 10 HB2 CYS 10 13.951 6.900 -3.869 79 HB3 CYS 10 HB3 CYS 10 12.194 6.817 -3.947 80 H ARG 11 H ARG 11 10.900 9.050 -4.466 81 HA ARG 11 HA ARG 11 12.115 10.918 -2.605 82 HB2 ARG 11 HB2 ARG 11 10.722 11.740 -5.103 83 HB3 ARG 11 HB3 ARG 11 10.381 12.665 -3.646 84 HG2 ARG 11 HG2 ARG 11 12.900 12.900 -3.392 85 HG3 ARG 11 HG3 ARG 11 13.006 12.300 -5.048 86 HD2 ARG 11 HD2 ARG 11 11.636 14.134 -5.836 87 HD3 ARG 11 HD3 ARG 11 11.410 14.707 -4.183 88 HE ARG 11 HE ARG 11 13.687 15.145 -5.869 89 HH11 ARG 11 HH11 ARG 11 12.592 14.896 -2.573 90 HH12 ARG 11 HH12 ARG 11 13.881 15.863 -1.934 91 HH21 ARG 11 HH21 ARG 11 15.388 16.419 -5.039 92 HH22 ARG 11 HH22 ARG 11 15.470 16.729 -3.338 93 HA PRO 12 HA PRO 12 8.562 10.087 -0.171 94 HB2 PRO 12 HB2 PRO 12 8.121 12.467 1.058 95 HB3 PRO 12 HB3 PRO 12 9.483 11.417 1.460 96 HG2 PRO 12 HG2 PRO 12 9.414 13.843 -0.293 97 HG3 PRO 12 HG3 PRO 12 10.623 13.369 0.916 98 HD2 PRO 12 HD2 PRO 12 10.992 12.990 -1.740 99 HD3 PRO 12 HD3 PRO 12 11.661 11.891 -0.518 100 H LYS 13 H LYS 13 6.369 10.093 -0.298 101 HA LYS 13 HA LYS 13 5.163 11.558 -2.477 102 HB2 LYS 13 HB2 LYS 13 4.258 9.391 -0.615 103 HB3 LYS 13 HB3 LYS 13 3.068 10.292 -1.544 104 HG2 LYS 13 HG2 LYS 13 5.355 9.249 -3.075 105 HG3 LYS 13 HG3 LYS 13 4.260 8.040 -2.403 106 HD2 LYS 13 HD2 LYS 13 3.053 8.406 -4.263 107 HD3 LYS 13 HD3 LYS 13 2.510 9.864 -3.428 108 HE2 LYS 13 HE2 LYS 13 4.879 10.669 -4.537 109 HE3 LYS 13 HE3 LYS 13 4.254 9.561 -5.757 110 HZ1 LYS 13 HZ1 LYS 13 3.424 12.196 -5.157 111 HZ2 LYS 13 HZ2 LYS 13 2.123 11.134 -4.963 112 HZ3 LYS 13 HZ3 LYS 13 2.949 11.198 -6.438 113 HA PRO 14 HA PRO 14 3.320 14.846 -0.232 114 HB2 PRO 14 HB2 PRO 14 0.925 15.107 -1.482 115 HB3 PRO 14 HB3 PRO 14 2.456 15.586 -2.226 116 HG2 PRO 14 HG2 PRO 14 0.863 13.081 -2.614 117 HG3 PRO 14 HG3 PRO 14 1.678 14.086 -3.826 118 HD2 PRO 14 HD2 PRO 14 2.744 11.780 -2.888 119 HD3 PRO 14 HD3 PRO 14 3.743 13.162 -3.385 120 H ASN 15 H ASN 15 1.177 12.062 -0.748 121 HA ASN 15 HA ASN 15 -0.147 12.658 1.807 122 HB2 ASN 15 HB2 ASN 15 -1.551 12.415 -0.276 123 HB3 ASN 15 HB3 ASN 15 -1.068 10.722 -0.322 124 HD21 ASN 15 HD21 ASN 15 -2.771 9.576 0.250 125 HD22 ASN 15 HD22 ASN 15 -3.761 9.860 1.636 126 H CYS 16 H CYS 16 1.784 10.317 0.111 127 HA CYS 16 HA CYS 16 1.553 8.417 2.333 128 HB2 CYS 16 HB2 CYS 16 2.441 8.203 -0.514 129 HB3 CYS 16 HB3 CYS 16 3.067 7.051 0.660 130 H GLY 17 H GLY 17 2.800 10.399 3.381 131 HA2 GLY 17 HA2 GLY 17 5.444 9.443 3.882 132 HA3 GLY 17 HA3 GLY 17 5.470 10.914 2.920 133 HN1 NH2 18 H1 NH2 18 6.458 12.136 4.526 134 HN2 NH2 18 H2 NH2 18 5.682 12.643 5.960 Start of MODEL 17 1 H1 ARG 1 H ARG 1 0.949 2.441 2.069 2 HA ARG 1 HA ARG 1 3.774 1.965 1.553 3 HB2 ARG 1 HB2 ARG 1 1.558 0.171 0.652 4 HB3 ARG 1 HB3 ARG 1 2.938 0.422 -0.410 5 HG2 ARG 1 HG2 ARG 1 4.438 -0.504 1.162 6 HG3 ARG 1 HG3 ARG 1 3.230 -0.460 2.446 7 HD2 ARG 1 HD2 ARG 1 1.891 -2.008 0.802 8 HD3 ARG 1 HD3 ARG 1 3.492 -2.334 0.140 9 HE ARG 1 HE ARG 1 3.829 -2.709 2.799 10 HH11 ARG 1 HH11 ARG 1 1.553 -3.943 0.473 11 HH12 ARG 1 HH12 ARG 1 1.331 -5.452 1.294 12 HH21 ARG 1 HH21 ARG 1 3.547 -4.691 3.890 13 HH22 ARG 1 HH22 ARG 1 2.466 -5.876 3.240 14 H CYS 2 H CYS 2 4.516 3.278 0.007 15 HA CYS 2 HA CYS 2 2.613 4.968 -1.399 16 HB2 CYS 2 HB2 CYS 2 5.637 5.086 -1.388 17 HB3 CYS 2 HB3 CYS 2 4.543 6.324 -1.999 18 H LYS 3 H LYS 3 3.628 5.621 -3.718 19 HA LYS 3 HA LYS 3 3.323 3.227 -5.301 20 HB2 LYS 3 HB2 LYS 3 3.563 6.156 -5.940 21 HB3 LYS 3 HB3 LYS 3 3.645 4.943 -7.210 22 HG2 LYS 3 HG2 LYS 3 1.416 4.095 -6.171 23 HG3 LYS 3 HG3 LYS 3 1.347 5.717 -5.476 24 HD2 LYS 3 HD2 LYS 3 1.927 5.417 -8.385 25 HD3 LYS 3 HD3 LYS 3 0.268 5.199 -7.820 26 HE2 LYS 3 HE2 LYS 3 0.207 7.399 -6.912 27 HE3 LYS 3 HE3 LYS 3 1.941 7.612 -7.149 28 HZ1 LYS 3 HZ1 LYS 3 1.609 7.578 -9.523 29 HZ2 LYS 3 HZ2 LYS 3 0.623 8.765 -8.834 30 HZ3 LYS 3 HZ3 LYS 3 -0.048 7.295 -9.331 31 H THR 4 H THR 4 4.802 2.826 -7.169 32 HA THR 4 HA THR 4 7.443 2.424 -6.250 33 HB THR 4 HB THR 4 6.526 0.892 -7.865 34 HG1 THR 4 HG1 THR 4 8.450 2.275 -9.392 35 HG21 THR 4 HG21 THR 4 5.575 3.244 -9.120 36 HG22 THR 4 HG22 THR 4 5.257 1.568 -9.565 37 HG23 THR 4 HG23 THR 4 6.626 2.423 -10.273 38 H CYS 5 H CYS 5 9.417 3.247 -7.173 39 HA CYS 5 HA CYS 5 9.142 5.968 -8.274 40 HB2 CYS 5 HB2 CYS 5 11.249 6.522 -7.044 41 HB3 CYS 5 HB3 CYS 5 9.883 6.167 -5.992 42 H SER 6 H SER 6 11.271 6.710 -9.301 43 HA SER 6 HA SER 6 11.907 4.888 -11.391 44 HB2 SER 6 HB2 SER 6 13.408 7.423 -10.724 45 HB3 SER 6 HB3 SER 6 13.259 6.636 -12.295 46 HG SER 6 HG SER 6 11.015 7.135 -12.224 47 H LYS 7 H LYS 7 14.054 4.146 -11.962 48 HA LYS 7 HA LYS 7 15.351 2.838 -9.818 49 HB2 LYS 7 HB2 LYS 7 17.017 2.165 -11.532 50 HB3 LYS 7 HB3 LYS 7 15.357 1.856 -12.023 51 HG2 LYS 7 HG2 LYS 7 15.619 4.243 -13.128 52 HG3 LYS 7 HG3 LYS 7 17.327 3.794 -13.097 53 HD2 LYS 7 HD2 LYS 7 16.648 2.987 -15.157 54 HD3 LYS 7 HD3 LYS 7 16.488 1.561 -14.131 55 HE2 LYS 7 HE2 LYS 7 14.059 2.304 -13.800 56 HE3 LYS 7 HE3 LYS 7 14.335 3.378 -15.170 57 HZ1 LYS 7 HZ1 LYS 7 13.573 1.556 -16.258 58 HZ2 LYS 7 HZ2 LYS 7 14.147 0.463 -15.102 59 HZ3 LYS 7 HZ3 LYS 7 15.215 1.147 -16.223 60 H GLY 8 H GLY 8 16.672 3.717 -8.375 61 HA2 GLY 8 HA2 GLY 8 18.698 4.750 -7.741 62 HA3 GLY 8 HA3 GLY 8 18.725 5.591 -9.281 63 H ARG 9 H ARG 9 15.873 6.396 -8.933 64 HA ARG 9 HA ARG 9 16.334 8.546 -6.971 65 HB2 ARG 9 HB2 ARG 9 14.908 8.542 -9.621 66 HB3 ARG 9 HB3 ARG 9 14.592 9.780 -8.412 67 HG2 ARG 9 HG2 ARG 9 16.743 10.658 -8.568 68 HG3 ARG 9 HG3 ARG 9 17.379 9.203 -9.336 69 HD2 ARG 9 HD2 ARG 9 15.662 9.803 -11.214 70 HD3 ARG 9 HD3 ARG 9 15.754 11.417 -10.508 71 HE ARG 9 HE ARG 9 18.340 10.331 -11.010 72 HH11 ARG 9 HH11 ARG 9 15.611 11.869 -12.529 73 HH12 ARG 9 HH12 ARG 9 16.546 12.550 -13.820 74 HH21 ARG 9 HH21 ARG 9 19.583 11.221 -12.705 75 HH22 ARG 9 HH22 ARG 9 18.805 12.180 -13.919 76 H CYS 10 H CYS 10 15.149 8.329 -5.201 77 HA CYS 10 HA CYS 10 12.340 7.564 -5.444 78 HB2 CYS 10 HB2 CYS 10 14.052 5.623 -4.771 79 HB3 CYS 10 HB3 CYS 10 13.832 6.341 -3.179 80 H ARG 11 H ARG 11 11.073 8.848 -4.270 81 HA ARG 11 HA ARG 11 12.123 10.096 -1.842 82 HB2 ARG 11 HB2 ARG 11 11.180 11.535 -4.294 83 HB3 ARG 11 HB3 ARG 11 10.914 12.254 -2.711 84 HG2 ARG 11 HG2 ARG 11 13.605 11.398 -3.754 85 HG3 ARG 11 HG3 ARG 11 12.969 13.042 -3.848 86 HD2 ARG 11 HD2 ARG 11 12.767 13.066 -1.386 87 HD3 ARG 11 HD3 ARG 11 13.493 11.460 -1.335 88 HE ARG 11 HE ARG 11 15.330 12.895 -2.683 89 HH11 ARG 11 HH11 ARG 11 13.656 13.430 0.321 90 HH12 ARG 11 HH12 ARG 11 14.957 14.327 1.036 91 HH21 ARG 11 HH21 ARG 11 17.048 14.073 -1.754 92 HH22 ARG 11 HH22 ARG 11 16.884 14.692 -0.146 93 HA PRO 12 HA PRO 12 8.122 9.380 -0.192 94 HB2 PRO 12 HB2 PRO 12 7.774 11.532 1.426 95 HB3 PRO 12 HB3 PRO 12 8.901 10.221 1.799 96 HG2 PRO 12 HG2 PRO 12 9.450 12.909 0.597 97 HG3 PRO 12 HG3 PRO 12 10.357 12.034 1.846 98 HD2 PRO 12 HD2 PRO 12 11.137 12.099 -0.746 99 HD3 PRO 12 HD3 PRO 12 11.435 10.701 0.306 100 H LYS 13 H LYS 13 6.004 9.759 -0.633 101 HA LYS 13 HA LYS 13 5.397 11.771 -2.617 102 HB2 LYS 13 HB2 LYS 13 3.878 9.496 -1.378 103 HB3 LYS 13 HB3 LYS 13 3.035 10.714 -2.327 104 HG2 LYS 13 HG2 LYS 13 5.434 9.515 -3.562 105 HG3 LYS 13 HG3 LYS 13 4.027 8.463 -3.370 106 HD2 LYS 13 HD2 LYS 13 3.399 9.350 -5.342 107 HD3 LYS 13 HD3 LYS 13 2.861 10.706 -4.348 108 HE2 LYS 13 HE2 LYS 13 5.394 11.441 -4.677 109 HE3 LYS 13 HE3 LYS 13 5.221 10.465 -6.135 110 HZ1 LYS 13 HZ1 LYS 13 3.952 12.007 -7.092 111 HZ2 LYS 13 HZ2 LYS 13 4.502 13.063 -5.890 112 HZ3 LYS 13 HZ3 LYS 13 3.024 12.262 -5.700 113 HA PRO 14 HA PRO 14 3.622 14.844 -0.036 114 HB2 PRO 14 HB2 PRO 14 1.537 15.708 -1.544 115 HB3 PRO 14 HB3 PRO 14 3.222 16.065 -1.941 116 HG2 PRO 14 HG2 PRO 14 1.416 13.960 -3.066 117 HG3 PRO 14 HG3 PRO 14 2.552 15.027 -3.912 118 HD2 PRO 14 HD2 PRO 14 3.135 12.448 -3.325 119 HD3 PRO 14 HD3 PRO 14 4.374 13.719 -3.373 120 H ASN 15 H ASN 15 1.393 12.429 -1.332 121 HA ASN 15 HA ASN 15 -0.621 12.987 0.662 122 HB2 ASN 15 HB2 ASN 15 -0.357 11.072 -1.624 123 HB3 ASN 15 HB3 ASN 15 -1.561 10.757 -0.376 124 HD21 ASN 15 HD21 ASN 15 -3.470 11.331 -1.109 125 HD22 ASN 15 HD22 ASN 15 -3.839 12.792 -1.953 126 H CYS 16 H CYS 16 2.033 10.786 0.221 127 HA CYS 16 HA CYS 16 1.267 8.828 2.112 128 HB2 CYS 16 HB2 CYS 16 3.760 9.572 0.687 129 HB3 CYS 16 HB3 CYS 16 3.953 8.643 2.169 130 H GLY 17 H GLY 17 2.729 8.413 4.103 131 HA2 GLY 17 HA2 GLY 17 3.848 9.263 6.005 132 HA3 GLY 17 HA3 GLY 17 3.431 10.891 5.493 133 HN1 NH2 18 H1 NH2 18 1.777 7.882 6.464 134 HN2 NH2 18 H2 NH2 18 0.599 8.597 7.473 Start of MODEL 18 1 H1 ARG 1 H ARG 1 2.585 0.548 2.443 2 HA ARG 1 HA ARG 1 4.696 1.132 0.653 3 HB2 ARG 1 HB2 ARG 1 2.324 -0.699 0.583 4 HB3 ARG 1 HB3 ARG 1 3.294 -0.467 -0.866 5 HG2 ARG 1 HG2 ARG 1 5.293 -1.045 0.669 6 HG3 ARG 1 HG3 ARG 1 4.059 -1.715 1.739 7 HD2 ARG 1 HD2 ARG 1 3.231 -2.977 -0.335 8 HD3 ARG 1 HD3 ARG 1 4.781 -2.546 -1.055 9 HE ARG 1 HE ARG 1 5.416 -3.668 1.358 10 HH11 ARG 1 HH11 ARG 1 3.632 -4.675 -1.456 11 HH12 ARG 1 HH12 ARG 1 4.011 -6.353 -1.258 12 HH21 ARG 1 HH21 ARG 1 5.924 -5.876 1.630 13 HH22 ARG 1 HH22 ARG 1 5.315 -7.035 0.499 14 H CYS 2 H CYS 2 4.763 2.906 -0.558 15 HA CYS 2 HA CYS 2 2.269 3.946 -1.707 16 HB2 CYS 2 HB2 CYS 2 4.949 5.336 -1.607 17 HB3 CYS 2 HB3 CYS 2 3.377 6.056 -1.945 18 H LYS 3 H LYS 3 3.134 5.362 -3.831 19 HA LYS 3 HA LYS 3 3.383 3.427 -5.849 20 HB2 LYS 3 HB2 LYS 3 2.488 5.852 -5.975 21 HB3 LYS 3 HB3 LYS 3 4.169 6.304 -6.229 22 HG2 LYS 3 HG2 LYS 3 3.268 6.125 -8.375 23 HG3 LYS 3 HG3 LYS 3 4.160 4.620 -8.141 24 HD2 LYS 3 HD2 LYS 3 2.205 3.780 -8.972 25 HD3 LYS 3 HD3 LYS 3 1.814 3.785 -7.251 26 HE2 LYS 3 HE2 LYS 3 -0.055 4.770 -8.211 27 HE3 LYS 3 HE3 LYS 3 0.905 6.160 -7.702 28 HZ1 LYS 3 HZ1 LYS 3 0.083 5.401 -10.320 29 HZ2 LYS 3 HZ2 LYS 3 1.762 5.589 -10.245 30 HZ3 LYS 3 HZ3 LYS 3 0.747 6.863 -9.787 31 H THR 4 H THR 4 5.110 3.098 -7.365 32 HA THR 4 HA THR 4 7.676 2.929 -6.064 33 HB THR 4 HB THR 4 8.366 1.978 -8.361 34 HG1 THR 4 HG1 THR 4 6.537 2.836 -9.498 35 HG21 THR 4 HG21 THR 4 6.374 0.738 -6.489 36 HG22 THR 4 HG22 THR 4 8.103 0.420 -6.641 37 HG23 THR 4 HG23 THR 4 6.986 -0.153 -7.881 38 H CYS 5 H CYS 5 9.661 3.735 -6.986 39 HA CYS 5 HA CYS 5 9.279 6.233 -8.503 40 HB2 CYS 5 HB2 CYS 5 11.537 5.704 -6.572 41 HB3 CYS 5 HB3 CYS 5 11.054 7.244 -7.279 42 H SER 6 H SER 6 11.504 6.941 -9.480 43 HA SER 6 HA SER 6 12.136 5.227 -11.551 44 HB2 SER 6 HB2 SER 6 12.682 7.625 -11.566 45 HB3 SER 6 HB3 SER 6 13.914 7.356 -10.333 46 HG SER 6 HG SER 6 14.705 7.425 -12.537 47 H LYS 7 H LYS 7 14.421 4.385 -12.002 48 HA LYS 7 HA LYS 7 15.015 2.399 -10.035 49 HB2 LYS 7 HB2 LYS 7 15.218 2.297 -12.640 50 HB3 LYS 7 HB3 LYS 7 16.808 2.994 -12.363 51 HG2 LYS 7 HG2 LYS 7 16.023 0.582 -10.810 52 HG3 LYS 7 HG3 LYS 7 16.457 0.396 -12.512 53 HD2 LYS 7 HD2 LYS 7 18.542 1.792 -11.895 54 HD3 LYS 7 HD3 LYS 7 18.137 1.375 -10.227 55 HE2 LYS 7 HE2 LYS 7 19.719 -0.228 -11.039 56 HE3 LYS 7 HE3 LYS 7 18.153 -1.025 -10.894 57 HZ1 LYS 7 HZ1 LYS 7 18.248 -1.555 -13.026 58 HZ2 LYS 7 HZ2 LYS 7 19.779 -0.849 -13.146 59 HZ3 LYS 7 HZ3 LYS 7 18.396 0.069 -13.472 60 H GLY 8 H GLY 8 15.704 3.501 -8.185 61 HA2 GLY 8 HA2 GLY 8 17.779 3.803 -6.976 62 HA3 GLY 8 HA3 GLY 8 18.436 4.590 -8.404 63 H ARG 9 H ARG 9 15.893 6.105 -8.783 64 HA ARG 9 HA ARG 9 16.418 8.153 -6.738 65 HB2 ARG 9 HB2 ARG 9 15.511 8.297 -9.595 66 HB3 ARG 9 HB3 ARG 9 15.168 9.619 -8.489 67 HG2 ARG 9 HG2 ARG 9 17.444 10.095 -8.176 68 HG3 ARG 9 HG3 ARG 9 17.944 8.557 -8.884 69 HD2 ARG 9 HD2 ARG 9 16.895 9.366 -11.041 70 HD3 ARG 9 HD3 ARG 9 16.771 10.951 -10.279 71 HE ARG 9 HE ARG 9 19.372 10.352 -9.952 72 HH11 ARG 9 HH11 ARG 9 17.273 10.275 -12.727 73 HH12 ARG 9 HH12 ARG 9 18.539 10.620 -13.858 74 HH21 ARG 9 HH21 ARG 9 21.048 10.808 -11.429 75 HH22 ARG 9 HH22 ARG 9 20.687 10.923 -13.119 76 H CYS 10 H CYS 10 14.916 8.522 -5.255 77 HA CYS 10 HA CYS 10 12.096 8.248 -5.910 78 HB2 CYS 10 HB2 CYS 10 12.865 6.003 -5.084 79 HB3 CYS 10 HB3 CYS 10 13.266 6.767 -3.549 80 H ARG 11 H ARG 11 10.709 9.346 -4.468 81 HA ARG 11 HA ARG 11 11.983 10.928 -2.358 82 HB2 ARG 11 HB2 ARG 11 10.657 11.972 -4.813 83 HB3 ARG 11 HB3 ARG 11 10.386 12.834 -3.304 84 HG2 ARG 11 HG2 ARG 11 12.637 13.396 -3.079 85 HG3 ARG 11 HG3 ARG 11 13.152 12.160 -4.230 86 HD2 ARG 11 HD2 ARG 11 11.895 13.451 -5.995 87 HD3 ARG 11 HD3 ARG 11 11.711 14.740 -4.806 88 HE ARG 11 HE ARG 11 14.431 13.986 -5.060 89 HH11 ARG 11 HH11 ARG 11 11.899 15.743 -6.678 90 HH12 ARG 11 HH12 ARG 11 12.987 16.807 -7.506 91 HH21 ARG 11 HH21 ARG 11 15.875 15.382 -6.142 92 HH22 ARG 11 HH22 ARG 11 15.249 16.600 -7.200 93 HA PRO 12 HA PRO 12 8.349 10.153 -0.027 94 HB2 PRO 12 HB2 PRO 12 8.015 12.478 1.334 95 HB3 PRO 12 HB3 PRO 12 9.313 11.333 1.693 96 HG2 PRO 12 HG2 PRO 12 9.405 13.857 0.085 97 HG3 PRO 12 HG3 PRO 12 10.565 13.247 1.279 98 HD2 PRO 12 HD2 PRO 12 10.960 13.004 -1.389 99 HD3 PRO 12 HD3 PRO 12 11.546 11.800 -0.223 100 H LYS 13 H LYS 13 6.162 10.288 -0.182 101 HA LYS 13 HA LYS 13 5.076 11.942 -2.289 102 HB2 LYS 13 HB2 LYS 13 4.004 9.735 -0.562 103 HB3 LYS 13 HB3 LYS 13 2.901 10.741 -1.491 104 HG2 LYS 13 HG2 LYS 13 5.220 9.295 -2.739 105 HG3 LYS 13 HG3 LYS 13 3.619 8.573 -2.562 106 HD2 LYS 13 HD2 LYS 13 2.654 10.420 -3.859 107 HD3 LYS 13 HD3 LYS 13 4.263 11.122 -4.049 108 HE2 LYS 13 HE2 LYS 13 3.676 8.313 -4.923 109 HE3 LYS 13 HE3 LYS 13 3.311 9.689 -5.966 110 HZ1 LYS 13 HZ1 LYS 13 5.426 9.119 -6.617 111 HZ2 LYS 13 HZ2 LYS 13 5.927 8.694 -5.058 112 HZ3 LYS 13 HZ3 LYS 13 5.753 10.324 -5.475 113 HA PRO 14 HA PRO 14 3.373 15.187 0.124 114 HB2 PRO 14 HB2 PRO 14 1.017 15.651 -1.144 115 HB3 PRO 14 HB3 PRO 14 2.584 16.089 -1.837 116 HG2 PRO 14 HG2 PRO 14 0.865 13.703 -2.396 117 HG3 PRO 14 HG3 PRO 14 1.755 14.731 -3.533 118 HD2 PRO 14 HD2 PRO 14 2.680 12.321 -2.722 119 HD3 PRO 14 HD3 PRO 14 3.759 13.671 -3.120 120 H ASN 15 H ASN 15 1.042 12.602 -0.618 121 HA ASN 15 HA ASN 15 -0.249 13.088 1.976 122 HB2 ASN 15 HB2 ASN 15 -1.700 13.158 -0.044 123 HB3 ASN 15 HB3 ASN 15 -1.279 11.480 -0.371 124 HD21 ASN 15 HD21 ASN 15 -3.208 13.625 1.468 125 HD22 ASN 15 HD22 ASN 15 -4.100 12.433 2.342 126 H CYS 16 H CYS 16 1.502 10.750 0.090 127 HA CYS 16 HA CYS 16 1.110 8.699 2.150 128 HB2 CYS 16 HB2 CYS 16 0.845 8.243 -0.376 129 HB3 CYS 16 HB3 CYS 16 2.603 8.313 -0.434 130 H GLY 17 H GLY 17 2.527 10.532 3.306 131 HA2 GLY 17 HA2 GLY 17 5.357 10.325 2.781 132 HA3 GLY 17 HA3 GLY 17 4.598 11.205 4.101 133 HN1 NH2 18 H1 NH2 18 6.820 9.041 3.721 134 HN2 NH2 18 H2 NH2 18 6.554 7.938 4.997 Start of MODEL 19 1 H1 ARG 1 H ARG 1 3.549 -1.881 -0.190 2 HA ARG 1 HA ARG 1 5.269 0.160 -0.199 3 HB2 ARG 1 HB2 ARG 1 5.421 -2.055 -1.473 4 HB3 ARG 1 HB3 ARG 1 4.630 -1.215 -2.800 5 HG2 ARG 1 HG2 ARG 1 6.448 0.175 -3.174 6 HG3 ARG 1 HG3 ARG 1 7.111 -0.100 -1.562 7 HD2 ARG 1 HD2 ARG 1 6.933 -2.202 -3.716 8 HD3 ARG 1 HD3 ARG 1 8.370 -1.232 -3.391 9 HE ARG 1 HE ARG 1 7.384 -3.455 -1.844 10 HH11 ARG 1 HH11 ARG 1 9.369 -0.595 -1.842 11 HH12 ARG 1 HH12 ARG 1 10.355 -1.124 -0.519 12 HH21 ARG 1 HH21 ARG 1 8.675 -4.161 -0.102 13 HH22 ARG 1 HH22 ARG 1 9.961 -3.153 0.469 14 H CYS 2 H CYS 2 3.191 1.722 0.045 15 HA CYS 2 HA CYS 2 1.968 2.798 -2.210 16 HB2 CYS 2 HB2 CYS 2 1.391 3.267 0.203 17 HB3 CYS 2 HB3 CYS 2 2.766 4.368 0.245 18 H LYS 3 H LYS 3 4.941 3.864 -0.569 19 HA LYS 3 HA LYS 3 5.520 5.936 -2.414 20 HB2 LYS 3 HB2 LYS 3 7.440 4.451 -0.613 21 HB3 LYS 3 HB3 LYS 3 7.707 6.024 -1.351 22 HG2 LYS 3 HG2 LYS 3 5.933 6.990 -0.023 23 HG3 LYS 3 HG3 LYS 3 5.553 5.408 0.663 24 HD2 LYS 3 HD2 LYS 3 8.266 6.684 0.930 25 HD3 LYS 3 HD3 LYS 3 6.967 6.956 2.096 26 HE2 LYS 3 HE2 LYS 3 6.848 4.359 2.161 27 HE3 LYS 3 HE3 LYS 3 8.471 4.444 1.478 28 HZ1 LYS 3 HZ1 LYS 3 8.800 6.118 3.452 29 HZ2 LYS 3 HZ2 LYS 3 8.961 4.450 3.685 30 HZ3 LYS 3 HZ3 LYS 3 7.530 5.233 4.135 31 H THR 4 H THR 4 6.491 5.898 -4.343 32 HA THR 4 HA THR 4 7.708 3.360 -5.222 33 HB THR 4 HB THR 4 7.050 3.938 -7.519 34 HG1 THR 4 HG1 THR 4 6.862 6.126 -7.542 35 HG21 THR 4 HG21 THR 4 4.400 4.134 -6.696 36 HG22 THR 4 HG22 THR 4 5.220 3.334 -5.354 37 HG23 THR 4 HG23 THR 4 5.306 2.649 -6.978 38 H CYS 5 H CYS 5 9.503 3.491 -6.663 39 HA CYS 5 HA CYS 5 11.067 5.947 -6.285 40 HB2 CYS 5 HB2 CYS 5 12.071 3.252 -7.208 41 HB3 CYS 5 HB3 CYS 5 13.031 4.617 -6.647 42 H SER 6 H SER 6 11.613 7.214 -7.948 43 HA SER 6 HA SER 6 10.855 6.322 -10.646 44 HB2 SER 6 HB2 SER 6 11.138 9.091 -9.466 45 HB3 SER 6 HB3 SER 6 10.884 8.789 -11.184 46 HG SER 6 HG SER 6 9.111 8.659 -9.093 47 H LYS 7 H LYS 7 12.354 6.066 -12.174 48 HA LYS 7 HA LYS 7 14.407 5.856 -13.138 49 HB2 LYS 7 HB2 LYS 7 13.919 8.380 -13.224 50 HB3 LYS 7 HB3 LYS 7 15.080 8.521 -11.911 51 HG2 LYS 7 HG2 LYS 7 16.860 8.032 -13.245 52 HG3 LYS 7 HG3 LYS 7 15.905 7.035 -14.344 53 HD2 LYS 7 HD2 LYS 7 14.908 8.999 -15.329 54 HD3 LYS 7 HD3 LYS 7 15.719 10.040 -14.156 55 HE2 LYS 7 HE2 LYS 7 17.796 9.740 -15.135 56 HE3 LYS 7 HE3 LYS 7 17.324 8.227 -15.910 57 HZ1 LYS 7 HZ1 LYS 7 17.433 9.820 -17.610 58 HZ2 LYS 7 HZ2 LYS 7 16.602 10.985 -16.707 59 HZ3 LYS 7 HZ3 LYS 7 15.780 9.630 -17.300 60 H GLY 8 H GLY 8 14.115 4.793 -10.459 61 HA2 GLY 8 HA2 GLY 8 15.690 3.533 -9.244 62 HA3 GLY 8 HA3 GLY 8 16.957 4.611 -9.811 63 H ARG 9 H ARG 9 15.321 6.990 -9.064 64 HA ARG 9 HA ARG 9 16.353 7.319 -6.437 65 HB2 ARG 9 HB2 ARG 9 14.541 8.986 -8.171 66 HB3 ARG 9 HB3 ARG 9 14.958 9.470 -6.532 67 HG2 ARG 9 HG2 ARG 9 17.201 9.790 -7.064 68 HG3 ARG 9 HG3 ARG 9 17.084 8.825 -8.537 69 HD2 ARG 9 HD2 ARG 9 15.456 10.616 -9.364 70 HD3 ARG 9 HD3 ARG 9 16.052 11.597 -8.026 71 HE ARG 9 HE ARG 9 17.432 10.975 -10.469 72 HH11 ARG 9 HH11 ARG 9 17.788 11.910 -7.135 73 HH12 ARG 9 HH12 ARG 9 19.341 12.643 -7.371 74 HH21 ARG 9 HH21 ARG 9 19.475 11.936 -10.793 75 HH22 ARG 9 HH22 ARG 9 20.299 12.658 -9.452 76 H CYS 10 H CYS 10 15.468 6.859 -4.533 77 HA CYS 10 HA CYS 10 12.613 6.141 -4.467 78 HB2 CYS 10 HB2 CYS 10 14.930 5.226 -2.760 79 HB3 CYS 10 HB3 CYS 10 13.250 4.880 -2.369 80 H ARG 11 H ARG 11 11.360 7.650 -3.609 81 HA ARG 11 HA ARG 11 12.113 8.906 -1.104 82 HB2 ARG 11 HB2 ARG 11 11.915 10.365 -3.693 83 HB3 ARG 11 HB3 ARG 11 11.271 11.151 -2.257 84 HG2 ARG 11 HG2 ARG 11 13.500 10.762 -1.170 85 HG3 ARG 11 HG3 ARG 11 14.094 10.244 -2.750 86 HD2 ARG 11 HD2 ARG 11 12.993 12.947 -1.999 87 HD3 ARG 11 HD3 ARG 11 14.652 12.555 -2.446 88 HE ARG 11 HE ARG 11 12.994 11.817 -4.565 89 HH11 ARG 11 HH11 ARG 11 14.031 14.702 -2.916 90 HH12 ARG 11 HH12 ARG 11 13.871 15.714 -4.312 91 HH21 ARG 11 HH21 ARG 11 12.780 13.139 -6.411 92 HH22 ARG 11 HH22 ARG 11 13.158 14.826 -6.300 93 HA PRO 12 HA PRO 12 7.819 8.686 -0.237 94 HB2 PRO 12 HB2 PRO 12 7.402 10.926 1.240 95 HB3 PRO 12 HB3 PRO 12 8.292 9.525 1.850 96 HG2 PRO 12 HG2 PRO 12 9.340 12.094 0.722 97 HG3 PRO 12 HG3 PRO 12 9.896 11.184 2.140 98 HD2 PRO 12 HD2 PRO 12 11.157 11.066 -0.255 99 HD3 PRO 12 HD3 PRO 12 11.100 9.688 0.864 100 H LYS 13 H LYS 13 5.875 9.259 -1.086 101 HA LYS 13 HA LYS 13 5.860 11.180 -3.226 102 HB2 LYS 13 HB2 LYS 13 4.103 9.037 -2.248 103 HB3 LYS 13 HB3 LYS 13 3.249 10.416 -2.924 104 HG2 LYS 13 HG2 LYS 13 4.000 10.028 -5.032 105 HG3 LYS 13 HG3 LYS 13 5.521 9.323 -4.480 106 HD2 LYS 13 HD2 LYS 13 4.548 7.244 -4.075 107 HD3 LYS 13 HD3 LYS 13 2.915 7.913 -4.017 108 HE2 LYS 13 HE2 LYS 13 3.352 8.528 -6.497 109 HE3 LYS 13 HE3 LYS 13 4.645 7.334 -6.393 110 HZ1 LYS 13 HZ1 LYS 13 3.063 5.659 -5.799 111 HZ2 LYS 13 HZ2 LYS 13 2.522 6.418 -7.209 112 HZ3 LYS 13 HZ3 LYS 13 1.805 6.786 -5.721 113 HA PRO 14 HA PRO 14 4.178 14.680 -1.181 114 HB2 PRO 14 HB2 PRO 14 2.497 15.677 -3.068 115 HB3 PRO 14 HB3 PRO 14 4.257 15.769 -3.204 116 HG2 PRO 14 HG2 PRO 14 2.357 13.830 -4.469 117 HG3 PRO 14 HG3 PRO 14 3.753 14.657 -5.184 118 HD2 PRO 14 HD2 PRO 14 3.858 12.086 -4.339 119 HD3 PRO 14 HD3 PRO 14 5.260 13.173 -4.268 120 H ASN 15 H ASN 15 1.843 12.482 -2.668 121 HA ASN 15 HA ASN 15 -0.275 13.438 -0.905 122 HB2 ASN 15 HB2 ASN 15 -0.330 11.337 -3.083 123 HB3 ASN 15 HB3 ASN 15 -1.734 11.922 -2.194 124 HD21 ASN 15 HD21 ASN 15 -0.415 12.094 -5.065 125 HD22 ASN 15 HD22 ASN 15 -0.783 13.720 -5.518 126 H CYS 16 H CYS 16 1.899 10.752 -1.296 127 HA CYS 16 HA CYS 16 0.621 9.397 0.986 128 HB2 CYS 16 HB2 CYS 16 0.902 8.250 -1.366 129 HB3 CYS 16 HB3 CYS 16 2.558 8.004 -0.821 130 H GLY 17 H GLY 17 2.195 11.476 1.657 131 HA2 GLY 17 HA2 GLY 17 4.813 10.313 2.347 132 HA3 GLY 17 HA3 GLY 17 4.447 12.032 2.309 133 HN1 NH2 18 H1 NH2 18 5.699 11.228 4.487 134 HN2 NH2 18 H2 NH2 18 4.690 11.122 5.862 Start of MODEL 20 1 H1 ARG 1 H ARG 1 0.681 0.690 2.454 2 HA ARG 1 HA ARG 1 1.815 0.313 0.399 3 HB2 ARG 1 HB2 ARG 1 -1.172 0.346 0.116 4 HB3 ARG 1 HB3 ARG 1 -0.155 -0.086 -1.251 5 HG2 ARG 1 HG2 ARG 1 -0.575 -2.149 -0.368 6 HG3 ARG 1 HG3 ARG 1 0.922 -1.740 0.474 7 HD2 ARG 1 HD2 ARG 1 -0.161 -1.328 2.472 8 HD3 ARG 1 HD3 ARG 1 -1.703 -0.998 1.686 9 HE ARG 1 HE ARG 1 -0.761 -3.522 2.604 10 HH11 ARG 1 HH11 ARG 1 -2.688 -1.989 0.143 11 HH12 ARG 1 HH12 ARG 1 -3.680 -3.382 -0.133 12 HH21 ARG 1 HH21 ARG 1 -2.060 -5.363 2.250 13 HH22 ARG 1 HH22 ARG 1 -3.322 -5.301 1.066 14 H CYS 2 H CYS 2 1.956 3.105 0.865 15 HA CYS 2 HA CYS 2 1.463 4.167 -1.839 16 HB2 CYS 2 HB2 CYS 2 1.510 6.428 -0.729 17 HB3 CYS 2 HB3 CYS 2 0.140 5.414 -0.287 18 H LYS 3 H LYS 3 3.612 2.898 -2.051 19 HA LYS 3 HA LYS 3 5.823 4.770 -1.506 20 HB2 LYS 3 HB2 LYS 3 5.939 1.749 -1.605 21 HB3 LYS 3 HB3 LYS 3 7.327 2.812 -1.406 22 HG2 LYS 3 HG2 LYS 3 5.958 3.698 0.648 23 HG3 LYS 3 HG3 LYS 3 5.169 2.124 0.524 24 HD2 LYS 3 HD2 LYS 3 7.517 1.133 0.495 25 HD3 LYS 3 HD3 LYS 3 8.077 2.728 1.007 26 HE2 LYS 3 HE2 LYS 3 5.890 1.308 2.488 27 HE3 LYS 3 HE3 LYS 3 7.585 0.940 2.805 28 HZ1 LYS 3 HZ1 LYS 3 6.190 2.892 4.013 29 HZ2 LYS 3 HZ2 LYS 3 6.959 3.757 2.781 30 HZ3 LYS 3 HZ3 LYS 3 7.876 2.862 3.884 31 H THR 4 H THR 4 6.926 5.468 -3.224 32 HA THR 4 HA THR 4 6.737 3.953 -5.737 33 HB THR 4 HB THR 4 6.461 6.954 -5.488 34 HG1 THR 4 HG1 THR 4 4.517 5.291 -6.643 35 HG21 THR 4 HG21 THR 4 7.643 6.480 -7.503 36 HG22 THR 4 HG22 THR 4 5.964 6.780 -7.952 37 HG23 THR 4 HG23 THR 4 6.575 5.128 -7.884 38 H CYS 5 H CYS 5 8.534 4.020 -7.067 39 HA CYS 5 HA CYS 5 10.880 5.462 -6.024 40 HB2 CYS 5 HB2 CYS 5 10.536 2.578 -6.582 41 HB3 CYS 5 HB3 CYS 5 12.031 3.294 -7.174 42 H SER 6 H SER 6 11.720 6.800 -7.467 43 HA SER 6 HA SER 6 10.896 6.656 -10.239 44 HB2 SER 6 HB2 SER 6 11.274 8.776 -8.677 45 HB3 SER 6 HB3 SER 6 12.917 8.644 -9.305 46 HG SER 6 HG SER 6 12.094 9.729 -10.916 47 H LYS 7 H LYS 7 12.643 7.129 -11.928 48 HA LYS 7 HA LYS 7 14.455 4.954 -11.956 49 HB2 LYS 7 HB2 LYS 7 14.452 7.388 -13.749 50 HB3 LYS 7 HB3 LYS 7 15.210 5.839 -14.089 51 HG2 LYS 7 HG2 LYS 7 12.250 6.180 -13.681 52 HG3 LYS 7 HG3 LYS 7 13.038 6.253 -15.260 53 HD2 LYS 7 HD2 LYS 7 13.922 3.976 -14.886 54 HD3 LYS 7 HD3 LYS 7 13.050 3.912 -13.353 55 HE2 LYS 7 HE2 LYS 7 11.547 4.569 -15.841 56 HE3 LYS 7 HE3 LYS 7 12.021 2.896 -15.552 57 HZ1 LYS 7 HZ1 LYS 7 9.759 3.669 -14.699 58 HZ2 LYS 7 HZ2 LYS 7 10.619 4.461 -13.478 59 HZ3 LYS 7 HZ3 LYS 7 10.734 2.782 -13.638 60 H GLY 8 H GLY 8 15.985 4.993 -10.372 61 HA2 GLY 8 HA2 GLY 8 18.269 5.521 -9.923 62 HA3 GLY 8 HA3 GLY 8 18.000 7.119 -10.602 63 H ARG 9 H ARG 9 15.455 7.383 -9.069 64 HA ARG 9 HA ARG 9 16.660 7.935 -6.436 65 HB2 ARG 9 HB2 ARG 9 14.609 9.461 -8.032 66 HB3 ARG 9 HB3 ARG 9 14.824 9.717 -6.305 67 HG2 ARG 9 HG2 ARG 9 16.965 10.596 -6.578 68 HG3 ARG 9 HG3 ARG 9 17.132 9.924 -8.202 69 HD2 ARG 9 HD2 ARG 9 15.195 12.099 -7.417 70 HD3 ARG 9 HD3 ARG 9 16.755 12.370 -8.193 71 HE ARG 9 HE ARG 9 14.335 11.549 -9.455 72 HH11 ARG 9 HH11 ARG 9 17.801 11.247 -9.590 73 HH12 ARG 9 HH12 ARG 9 17.837 10.922 -11.291 74 HH21 ARG 9 HH21 ARG 9 14.370 11.122 -11.695 75 HH22 ARG 9 HH22 ARG 9 15.886 10.852 -12.488 76 H CYS 10 H CYS 10 15.325 7.702 -4.577 77 HA CYS 10 HA CYS 10 12.827 6.222 -4.943 78 HB2 CYS 10 HB2 CYS 10 15.323 5.191 -3.727 79 HB3 CYS 10 HB3 CYS 10 13.840 4.859 -2.838 80 H ARG 11 H ARG 11 11.386 7.479 -3.959 81 HA ARG 11 HA ARG 11 11.734 8.114 -1.158 82 HB2 ARG 11 HB2 ARG 11 11.797 10.177 -3.307 83 HB3 ARG 11 HB3 ARG 11 10.928 10.559 -1.826 84 HG2 ARG 11 HG2 ARG 11 13.054 9.874 -0.601 85 HG3 ARG 11 HG3 ARG 11 13.841 9.948 -2.178 86 HD2 ARG 11 HD2 ARG 11 14.215 12.088 -1.506 87 HD3 ARG 11 HD3 ARG 11 12.627 12.309 -2.240 88 HE ARG 11 HE ARG 11 12.104 11.689 0.370 89 HH11 ARG 11 HH11 ARG 11 13.976 14.125 -1.269 90 HH12 ARG 11 HH12 ARG 11 13.754 15.314 -0.030 91 HH21 ARG 11 HH21 ARG 11 11.805 13.248 2.008 92 HH22 ARG 11 HH22 ARG 11 12.519 14.815 1.834 93 HA PRO 12 HA PRO 12 7.383 7.584 -1.008 94 HB2 PRO 12 HB2 PRO 12 6.638 9.365 0.901 95 HB3 PRO 12 HB3 PRO 12 7.519 7.876 1.266 96 HG2 PRO 12 HG2 PRO 12 8.556 10.669 0.976 97 HG3 PRO 12 HG3 PRO 12 8.968 9.443 2.190 98 HD2 PRO 12 HD2 PRO 12 10.546 9.963 0.052 99 HD3 PRO 12 HD3 PRO 12 10.418 8.347 0.773 100 H LYS 13 H LYS 13 5.561 8.296 -1.997 101 HA LYS 13 HA LYS 13 5.646 10.439 -3.782 102 HB2 LYS 13 HB2 LYS 13 3.120 10.134 -3.854 103 HB3 LYS 13 HB3 LYS 13 4.093 8.718 -4.233 104 HG2 LYS 13 HG2 LYS 13 3.537 7.644 -2.274 105 HG3 LYS 13 HG3 LYS 13 3.146 9.147 -1.437 106 HD2 LYS 13 HD2 LYS 13 1.092 8.022 -1.861 107 HD3 LYS 13 HD3 LYS 13 1.181 9.382 -2.983 108 HE2 LYS 13 HE2 LYS 13 0.435 7.588 -4.290 109 HE3 LYS 13 HE3 LYS 13 2.155 7.712 -4.650 110 HZ1 LYS 13 HZ1 LYS 13 2.528 5.937 -2.987 111 HZ2 LYS 13 HZ2 LYS 13 1.612 5.430 -4.315 112 HZ3 LYS 13 HZ3 LYS 13 0.852 5.757 -2.839 113 HA PRO 14 HA PRO 14 4.653 14.035 -1.470 114 HB2 PRO 14 HB2 PRO 14 3.127 15.418 -3.239 115 HB3 PRO 14 HB3 PRO 14 4.874 15.219 -3.427 116 HG2 PRO 14 HG2 PRO 14 2.644 13.715 -4.741 117 HG3 PRO 14 HG3 PRO 14 4.145 14.336 -5.451 118 HD2 PRO 14 HD2 PRO 14 3.826 11.738 -4.762 119 HD3 PRO 14 HD3 PRO 14 5.396 12.563 -4.671 120 H ASN 15 H ASN 15 1.955 12.339 -2.989 121 HA ASN 15 HA ASN 15 -0.086 13.631 -1.485 122 HB2 ASN 15 HB2 ASN 15 0.074 11.260 -3.286 123 HB3 ASN 15 HB3 ASN 15 -1.312 11.374 -2.207 124 HD21 ASN 15 HD21 ASN 15 -2.549 13.393 -2.286 125 HD22 ASN 15 HD22 ASN 15 -2.714 14.196 -3.807 126 H CYS 16 H CYS 16 2.002 10.907 -0.919 127 HA CYS 16 HA CYS 16 0.652 10.457 1.664 128 HB2 CYS 16 HB2 CYS 16 0.472 8.570 -0.031 129 HB3 CYS 16 HB3 CYS 16 2.211 8.364 0.148 130 H GLY 17 H GLY 17 2.094 12.126 2.484 131 HA2 GLY 17 HA2 GLY 17 4.874 11.183 2.807 132 HA3 GLY 17 HA3 GLY 17 4.385 12.869 2.863 133 HN1 NH2 18 H1 NH2 18 3.511 13.719 4.741 134 HN2 NH2 18 H2 NH2 18 3.510 12.923 6.251
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