NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596384 | 2n6h | 25764 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 0 HA2 ACE 0 2.809 0.647 -4.737 2 H2 ACE 0 HA3 ACE 0 3.286 2.340 -4.879 3 H3 ACE 0 HA1 ACE 0 3.444 1.505 -3.333 4 H GLU 1 HN GLU 1 5.530 2.873 -4.853 5 HA GLU 1 HA GLU 1 7.219 0.816 -6.008 6 HB2 GLU 1 HB2 GLU 1 7.854 3.687 -5.287 7 HB3 GLU 1 HB1 GLU 1 8.841 2.631 -6.288 8 HG2 GLU 1 HG2 GLU 1 6.023 3.540 -6.949 9 HG3 GLU 1 HG1 GLU 1 7.493 4.205 -7.648 10 H ARG 2 HN ARG 2 8.795 -0.297 -5.034 11 HA ARG 2 HA ARG 2 9.289 0.234 -2.167 12 HB2 ARG 2 HB2 ARG 2 9.690 -2.283 -3.772 13 HB3 ARG 2 HB1 ARG 2 10.126 -2.088 -2.075 14 HG2 ARG 2 HG2 ARG 2 7.768 -1.592 -1.536 15 HG3 ARG 2 HG1 ARG 2 7.340 -1.831 -3.237 16 HD2 ARG 2 HD2 ARG 2 6.970 -3.895 -1.912 17 HD3 ARG 2 HD1 ARG 2 8.206 -4.126 -3.150 18 HE ARG 2 HE ARG 2 9.516 -3.278 -0.819 19 HH11 ARG 2 HH21 ARG 2 7.615 -5.937 -1.978 20 HH12 ARG 2 HH22 ARG 2 8.418 -7.119 -1.000 21 HH21 ARG 2 HH11 ARG 2 10.570 -4.828 0.466 22 HH22 ARG 2 HH12 ARG 2 10.092 -6.490 0.383 23 H PHE 3 HN PHE 3 11.242 0.423 -1.337 24 HA PHE 3 HA PHE 3 13.616 -0.250 -2.698 25 HB2 PHE 3 HB2 PHE 3 13.210 1.802 -3.973 26 HB3 PHE 3 HB1 PHE 3 13.025 2.722 -2.479 27 HD1 PHE 3 HD1 PHE 3 15.460 0.356 -4.115 28 HD2 PHE 3 HD2 PHE 3 14.917 3.776 -1.581 29 HE1 PHE 3 HE1 PHE 3 17.920 0.596 -3.900 30 HE2 PHE 3 HE2 PHE 3 17.374 4.032 -1.371 31 HZ PHE 3 HZ PHE 3 18.878 2.437 -2.540 32 H TYR 4 HN TYR 4 15.074 -0.715 -1.204 33 HA TYR 4 HA TYR 4 15.448 0.936 1.121 34 HB2 TYR 4 HB2 TYR 4 15.002 -0.762 2.798 35 HB3 TYR 4 HB1 TYR 4 13.543 -0.519 1.844 36 HD1 TYR 4 HD1 TYR 4 16.608 -2.656 2.031 37 HD2 TYR 4 HD2 TYR 4 12.494 -2.362 0.851 38 HE1 TYR 4 HE1 TYR 4 16.648 -5.017 1.392 39 HE2 TYR 4 HE2 TYR 4 12.508 -4.755 0.233 40 HH TYR 4 HH TYR 4 14.228 -6.893 1.159 41 H GLU 5 HN GLU 5 17.417 0.257 2.279 42 HA GLU 5 HA GLU 5 19.150 -1.475 0.570 43 HB2 GLU 5 HB2 GLU 5 20.025 0.750 2.418 44 HB3 GLU 5 HB1 GLU 5 21.052 -0.197 1.360 45 HG2 GLU 5 HG2 GLU 5 18.835 1.656 0.438 46 HG3 GLU 5 HG1 GLU 5 20.551 2.033 0.401 47 H LYS 6 HN LYS 6 19.829 -3.287 1.438 48 HA LYS 6 HA LYS 6 19.656 -3.647 4.381 49 HB2 LYS 6 HB2 LYS 6 18.251 -5.197 3.062 50 HB3 LYS 6 HB1 LYS 6 19.675 -5.726 2.170 51 HG2 LYS 6 HG2 LYS 6 20.699 -6.525 4.271 52 HG3 LYS 6 HG1 LYS 6 19.280 -5.985 5.168 53 HD2 LYS 6 HD2 LYS 6 17.867 -7.530 3.865 54 HD3 LYS 6 HD1 LYS 6 19.284 -8.068 2.963 55 HE2 LYS 6 HE2 LYS 6 20.322 -8.861 5.056 56 HE3 LYS 6 HE1 LYS 6 18.908 -8.322 5.962 57 HZ1 LYS 6 HZ1 LYS 6 17.588 -9.808 4.438 58 HZ2 LYS 6 HZ2 LYS 6 18.589 -10.596 5.562 59 HZ3 LYS 6 HZ3 LYS 6 19.063 -10.473 3.935 60 HAC 4G6 7 HAC 4G6 7 26.141 -2.528 5.085 61 HAB 4G6 7 HAB 4G6 7 26.008 -3.446 3.567 62 HAA 4G6 7 HAA 4G6 7 26.215 -1.679 3.522 63 HAF 4G6 7 HAF 4G6 7 22.759 -2.399 2.530 64 HAD 4G6 7 HAD 4G6 7 24.441 -2.453 1.945 65 HAE 4G6 7 HAE 4G6 7 23.747 -0.922 2.535 66 HAL 4G6 7 HAL 4G6 7 24.093 -0.300 4.699 67 HAH 4G6 7 HAH 4G6 7 23.897 -3.916 5.516 68 HAG 4G6 7 HAG 4G6 7 23.954 -4.438 3.819 69 HAI 4G6 7 HAI 4G6 7 21.639 -2.973 5.047 70 HA DPR 8 HA DPR 8 23.271 -0.295 8.032 71 HB2 DPR 8 HB2 DPR 8 24.694 1.161 6.830 72 HB3 DPR 8 HB1 DPR 8 23.624 1.163 5.410 73 HG2 DPR 8 HG2 DPR 8 23.284 2.550 8.028 74 HG3 DPR 8 HG1 DPR 8 22.840 3.092 6.399 75 HD2 DPR 8 HD2 DPR 8 21.104 1.837 8.302 76 HD3 DPR 8 HD1 DPR 8 20.732 2.182 6.598 77 H VAL 9 HN VAL 9 18.800 0.098 4.556 78 HA VAL 9 HA VAL 9 19.040 0.744 7.451 79 HB VAL 9 HB VAL 9 18.300 -1.871 6.119 80 HG11 VAL 9 HG11 VAL 9 19.409 -2.301 8.201 81 HG12 VAL 9 HG12 VAL 9 17.679 -2.470 8.499 82 HG13 VAL 9 HG13 VAL 9 18.523 -1.008 9.010 83 HG21 VAL 9 HG21 VAL 9 16.428 -0.454 5.841 84 HG22 VAL 9 HG22 VAL 9 16.665 0.316 7.412 85 HG23 VAL 9 HG23 VAL 9 16.074 -1.344 7.322 86 H GLN 10 HN GLN 10 16.527 3.515 4.721 87 HA GLN 10 HA GLN 10 18.043 1.583 3.235 88 HB2 GLN 10 HB2 GLN 10 20.201 2.843 3.369 89 HB3 GLN 10 HB1 GLN 10 19.032 3.571 2.267 90 HG2 GLN 10 HG2 GLN 10 18.371 5.161 4.011 91 HG3 GLN 10 HG1 GLN 10 19.531 4.436 5.127 92 HE21 GLN 10 HE21 GLN 10 19.183 7.032 3.083 93 HE22 GLN 10 HE22 GLN 10 20.813 7.304 2.697 94 H LYS 11 HN LYS 11 14.046 3.127 1.197 95 HA LYS 11 HA LYS 11 15.065 5.104 3.133 96 HB2 LYS 11 HB2 LYS 11 13.847 2.429 3.888 97 HB3 LYS 11 HB1 LYS 11 14.664 3.550 4.975 98 HG2 LYS 11 HG2 LYS 11 12.977 5.273 4.519 99 HG3 LYS 11 HG1 LYS 11 12.185 4.214 3.359 100 HD2 LYS 11 HD2 LYS 11 10.959 4.191 5.475 101 HD3 LYS 11 HD1 LYS 11 11.673 2.612 5.179 102 HE2 LYS 11 HE2 LYS 11 11.938 3.320 7.531 103 HE3 LYS 11 HE1 LYS 11 13.500 3.128 6.759 104 HZ1 LYS 11 HZ1 LYS 11 12.085 5.727 6.905 105 HZ2 LYS 11 HZ2 LYS 11 13.715 5.452 6.513 106 HZ3 LYS 11 HZ3 LYS 11 13.169 5.209 8.104 107 H PHE 12 HN PHE 12 10.664 5.543 -0.290 108 HA PHE 12 HA PHE 12 12.879 3.769 -0.435 109 HB2 PHE 12 HB2 PHE 12 12.607 6.730 -0.938 110 HB3 PHE 12 HB1 PHE 12 14.129 5.878 -1.154 111 HD1 PHE 12 HD1 PHE 12 10.495 5.304 -2.059 112 HD2 PHE 12 HD2 PHE 12 14.593 5.251 -3.352 113 HE1 PHE 12 HE1 PHE 12 9.797 4.580 -4.332 114 HE2 PHE 12 HE2 PHE 12 13.864 4.532 -5.607 115 HZ PHE 12 HZ PHE 12 11.445 4.206 -6.072 116 H ILE 13 HN ILE 13 8.678 3.558 -1.016 117 HA ILE 13 HA ILE 13 8.888 5.091 1.451 118 HB ILE 13 HB ILE 13 9.028 3.103 2.894 119 HG12 ILE 13 HG12 ILE 13 9.510 1.400 1.190 120 HG13 ILE 13 HG11 ILE 13 8.084 0.969 2.112 121 HG21 ILE 13 HG21 ILE 13 6.948 4.501 2.617 122 HG22 ILE 13 HG22 ILE 13 6.660 2.853 3.172 123 HG23 ILE 13 HG23 ILE 13 6.353 3.281 1.492 124 HD11 ILE 13 HD11 ILE 13 7.307 0.547 -0.016 125 HD12 ILE 13 HD12 ILE 13 8.323 1.782 -0.748 126 HD13 ILE 13 HD13 ILE 13 6.852 2.243 0.102 127 H ARG 14 HN ARG 14 4.945 5.915 -1.203 128 HA ARG 14 HA ARG 14 6.545 3.636 -2.133 129 HB2 ARG 14 HB2 ARG 14 8.343 5.134 -2.869 130 HB3 ARG 14 HB1 ARG 14 6.891 5.373 -3.828 131 HG2 ARG 14 HG2 ARG 14 6.304 7.321 -2.415 132 HG3 ARG 14 HG1 ARG 14 7.790 7.087 -1.494 133 HD2 ARG 14 HD2 ARG 14 7.640 7.652 -4.468 134 HD3 ARG 14 HD1 ARG 14 8.069 8.825 -3.229 135 HE ARG 14 HE ARG 14 9.804 6.615 -2.993 136 HH11 ARG 14 HH21 ARG 14 8.982 9.177 -5.168 137 HH12 ARG 14 HH22 ARG 14 10.571 9.301 -5.846 138 HH21 ARG 14 HH11 ARG 14 11.899 6.777 -3.879 139 HH22 ARG 14 HH12 ARG 14 12.220 7.944 -5.117 140 H1 ACE 15 HA2 ACE 15 2.245 5.030 -3.279 141 H2 ACE 15 HA3 ACE 15 2.897 6.276 -2.216 142 H3 ACE 15 HA1 ACE 15 2.303 4.762 -1.537 Start of MODEL 2 1 H1 ACE 0 HA2 ACE 0 10.522 4.072 -5.293 2 H2 ACE 0 HA3 ACE 0 9.128 3.628 -6.279 3 H3 ACE 0 HA1 ACE 0 10.535 2.570 -6.216 4 H GLU 1 HN GLU 1 7.690 2.052 -5.534 5 HA GLU 1 HA GLU 1 6.910 1.918 -2.975 6 HB2 GLU 1 HB2 GLU 1 5.682 0.916 -4.835 7 HB3 GLU 1 HB1 GLU 1 6.883 -0.368 -4.944 8 HG2 GLU 1 HG2 GLU 1 4.896 -1.114 -3.704 9 HG3 GLU 1 HG1 GLU 1 6.314 -1.106 -2.666 10 H ARG 2 HN ARG 2 9.343 -0.258 -4.407 11 HA ARG 2 HA ARG 2 9.683 -1.882 -2.217 12 HB2 ARG 2 HB2 ARG 2 10.587 -2.241 -4.536 13 HB3 ARG 2 HB1 ARG 2 11.795 -1.023 -4.199 14 HG2 ARG 2 HG2 ARG 2 12.802 -3.177 -3.971 15 HG3 ARG 2 HG1 ARG 2 12.664 -2.469 -2.375 16 HD2 ARG 2 HD2 ARG 2 10.706 -4.483 -3.534 17 HD3 ARG 2 HD1 ARG 2 12.022 -4.909 -2.464 18 HE ARG 2 HE ARG 2 10.502 -2.960 -1.158 19 HH11 ARG 2 HH21 ARG 2 10.193 -6.172 -2.404 20 HH12 ARG 2 HH22 ARG 2 9.061 -6.679 -1.195 21 HH21 ARG 2 HH11 ARG 2 9.018 -3.616 0.428 22 HH22 ARG 2 HH12 ARG 2 8.395 -5.232 0.407 23 H PHE 3 HN PHE 3 12.744 -0.588 -2.640 24 HA PHE 3 HA PHE 3 14.151 0.499 -1.165 25 HB2 PHE 3 HB2 PHE 3 11.671 2.219 -1.019 26 HB3 PHE 3 HB1 PHE 3 13.190 2.671 -0.252 27 HD1 PHE 3 HD1 PHE 3 11.996 1.360 -3.601 28 HD2 PHE 3 HD2 PHE 3 14.546 4.098 -1.479 29 HE1 PHE 3 HE1 PHE 3 12.797 2.291 -5.749 30 HE2 PHE 3 HE2 PHE 3 15.328 5.029 -3.624 31 HZ PHE 3 HZ PHE 3 14.462 4.127 -5.766 32 H TYR 4 HN TYR 4 14.014 -1.484 0.177 33 HA TYR 4 HA TYR 4 12.666 -1.052 2.790 34 HB2 TYR 4 HB2 TYR 4 12.748 -3.506 3.006 35 HB3 TYR 4 HB1 TYR 4 11.883 -3.027 1.544 36 HD1 TYR 4 HD1 TYR 4 15.280 -4.049 2.773 37 HD2 TYR 4 HD2 TYR 4 12.601 -3.755 -0.525 38 HE1 TYR 4 HE1 TYR 4 16.965 -5.130 1.340 39 HE2 TYR 4 HE2 TYR 4 14.242 -4.868 -1.991 40 HH TYR 4 HH TYR 4 16.810 -6.592 -0.868 41 H GLU 5 HN GLU 5 13.776 -2.173 4.590 42 HA GLU 5 HA GLU 5 15.727 -1.376 5.866 43 HB2 GLU 5 HB2 GLU 5 14.916 -3.630 6.307 44 HB3 GLU 5 HB1 GLU 5 15.915 -4.251 4.998 45 HG2 GLU 5 HG2 GLU 5 17.950 -3.505 6.178 46 HG3 GLU 5 HG1 GLU 5 16.956 -2.850 7.479 47 H LYS 6 HN LYS 6 16.753 -3.148 2.962 48 HA LYS 6 HA LYS 6 19.119 -1.404 2.859 49 HB2 LYS 6 HB2 LYS 6 19.730 -3.558 3.959 50 HB3 LYS 6 HB1 LYS 6 19.188 -4.384 2.500 51 HG2 LYS 6 HG2 LYS 6 20.857 -3.175 1.168 52 HG3 LYS 6 HG1 LYS 6 21.350 -2.276 2.602 53 HD2 LYS 6 HD2 LYS 6 22.942 -4.079 2.175 54 HD3 LYS 6 HD1 LYS 6 22.066 -4.391 3.667 55 HE2 LYS 6 HE2 LYS 6 20.619 -6.005 2.509 56 HE3 LYS 6 HE1 LYS 6 21.416 -5.647 0.978 57 HZ1 LYS 6 HZ1 LYS 6 23.527 -6.318 2.171 58 HZ2 LYS 6 HZ2 LYS 6 22.435 -7.567 1.803 59 HZ3 LYS 6 HZ3 LYS 6 22.529 -6.955 3.385 60 HAC 4G6 7 HAC 4G6 7 21.449 -2.622 -2.583 61 HAB 4G6 7 HAB 4G6 7 22.484 -1.496 -1.672 62 HAA 4G6 7 HAA 4G6 7 21.367 -2.578 -0.805 63 HAF 4G6 7 HAF 4G6 7 21.028 -0.540 -3.811 64 HAD 4G6 7 HAD 4G6 7 19.496 0.245 -3.353 65 HAE 4G6 7 HAE 4G6 7 19.544 -1.508 -3.660 66 HAL 4G6 7 HAL 4G6 7 20.450 1.201 -1.499 67 HAH 4G6 7 HAH 4G6 7 18.909 -2.427 -1.529 68 HAG 4G6 7 HAG 4G6 7 18.328 -0.764 -1.307 69 HAI 4G6 7 HAI 4G6 7 20.116 -1.173 0.796 70 HA DPR 8 HA DPR 8 23.165 1.849 0.561 71 HB2 DPR 8 HB2 DPR 8 22.398 3.140 -1.246 72 HB3 DPR 8 HB1 DPR 8 20.700 2.723 -0.943 73 HG2 DPR 8 HG2 DPR 8 22.465 4.620 0.536 74 HG3 DPR 8 HG1 DPR 8 20.763 4.797 0.072 75 HD2 DPR 8 HD2 DPR 8 21.635 3.993 2.601 76 HD3 DPR 8 HD1 DPR 8 20.015 3.673 1.950 77 H VAL 9 HN VAL 9 18.751 0.146 3.678 78 HA VAL 9 HA VAL 9 20.383 2.603 3.996 79 HB VAL 9 HB VAL 9 20.450 1.114 5.961 80 HG11 VAL 9 HG11 VAL 9 21.251 -1.069 5.988 81 HG12 VAL 9 HG12 VAL 9 21.969 -0.938 4.392 82 HG13 VAL 9 HG13 VAL 9 20.230 -1.051 4.571 83 HG21 VAL 9 HG21 VAL 9 22.380 2.535 5.265 84 HG22 VAL 9 HG22 VAL 9 23.060 1.129 4.445 85 HG23 VAL 9 HG23 VAL 9 22.857 1.116 6.197 86 H GLN 10 HN GLN 10 15.579 3.256 3.769 87 HA GLN 10 HA GLN 10 16.504 0.478 3.855 88 HB2 GLN 10 HB2 GLN 10 16.987 0.532 1.431 89 HB3 GLN 10 HB1 GLN 10 15.270 0.728 1.764 90 HG2 GLN 10 HG2 GLN 10 15.901 2.303 0.046 91 HG3 GLN 10 HG1 GLN 10 15.524 3.187 1.519 92 HE21 GLN 10 HE21 GLN 10 16.987 4.856 1.845 93 HE22 GLN 10 HE22 GLN 10 18.637 4.794 1.453 94 H LYS 11 HN LYS 11 12.255 2.832 3.199 95 HA LYS 11 HA LYS 11 13.933 3.583 5.541 96 HB2 LYS 11 HB2 LYS 11 11.800 1.435 5.320 97 HB3 LYS 11 HB1 LYS 11 12.903 1.589 6.676 98 HG2 LYS 11 HG2 LYS 11 10.752 2.604 7.235 99 HG3 LYS 11 HG1 LYS 11 11.990 3.846 7.150 100 HD2 LYS 11 HD2 LYS 11 11.197 4.510 4.934 101 HD3 LYS 11 HD1 LYS 11 10.011 3.216 4.951 102 HE2 LYS 11 HE2 LYS 11 8.950 4.237 6.927 103 HE3 LYS 11 HE1 LYS 11 10.156 5.524 6.905 104 HZ1 LYS 11 HZ1 LYS 11 7.893 5.063 5.122 105 HZ2 LYS 11 HZ2 LYS 11 9.309 5.690 4.422 106 HZ3 LYS 11 HZ3 LYS 11 8.545 6.522 5.691 107 H PHE 12 HN PHE 12 10.548 5.670 2.191 108 HA PHE 12 HA PHE 12 13.040 4.440 1.267 109 HB2 PHE 12 HB2 PHE 12 12.456 7.159 2.433 110 HB3 PHE 12 HB1 PHE 12 14.053 6.621 1.938 111 HD1 PHE 12 HD2 PHE 12 11.940 5.064 -0.437 112 HD2 PHE 12 HD1 PHE 12 13.373 8.966 0.715 113 HE1 PHE 12 HE2 PHE 12 11.568 5.868 -2.707 114 HE2 PHE 12 HE1 PHE 12 12.977 9.767 -1.592 115 HZ PHE 12 HZ PHE 12 12.072 8.226 -3.300 116 H ILE 13 HN ILE 13 8.739 3.040 -0.607 117 HA ILE 13 HA ILE 13 8.673 4.696 1.889 118 HB ILE 13 HB ILE 13 8.739 2.609 3.173 119 HG12 ILE 13 HG12 ILE 13 8.400 1.270 0.494 120 HG13 ILE 13 HG11 ILE 13 9.834 1.154 1.496 121 HG21 ILE 13 HG21 ILE 13 6.443 2.052 2.861 122 HG22 ILE 13 HG22 ILE 13 6.493 2.514 1.160 123 HG23 ILE 13 HG23 ILE 13 6.596 3.751 2.413 124 HD11 ILE 13 HD11 ILE 13 7.072 0.120 2.112 125 HD12 ILE 13 HD12 ILE 13 8.325 0.278 3.342 126 HD13 ILE 13 HD13 ILE 13 8.567 -0.804 1.971 127 H ARG 14 HN ARG 14 5.511 5.318 -1.434 128 HA ARG 14 HA ARG 14 7.845 3.842 -2.338 129 HB2 ARG 14 HB2 ARG 14 7.874 6.858 -2.354 130 HB3 ARG 14 HB1 ARG 14 9.272 5.809 -2.573 131 HG2 ARG 14 HG2 ARG 14 8.131 4.779 -4.520 132 HG3 ARG 14 HG1 ARG 14 6.842 5.957 -4.352 133 HD2 ARG 14 HD2 ARG 14 8.409 6.741 -6.039 134 HD3 ARG 14 HD1 ARG 14 8.477 7.790 -4.625 135 HE ARG 14 HE ARG 14 10.418 5.766 -4.324 136 HH11 ARG 14 HH21 ARG 14 9.658 8.512 -6.293 137 HH12 ARG 14 HH22 ARG 14 11.310 8.878 -6.663 138 HH21 ARG 14 HH11 ARG 14 12.587 6.238 -4.814 139 HH22 ARG 14 HH12 ARG 14 12.967 7.592 -5.825 140 H1 ACE 15 HA2 ACE 15 3.474 3.596 -3.703 141 H2 ACE 15 HA3 ACE 15 3.646 5.351 -3.719 142 H3 ACE 15 HA1 ACE 15 3.526 4.492 -2.185 Start of MODEL 3 1 H1 ACE 0 HA2 ACE 0 4.725 0.057 -4.199 2 H2 ACE 0 HA3 ACE 0 3.290 0.894 -3.606 3 H3 ACE 0 HA1 ACE 0 3.681 -0.718 -3.009 4 H GLU 1 HN GLU 1 6.579 -0.035 -2.906 5 HA GLU 1 HA GLU 1 6.855 2.096 -0.986 6 HB2 GLU 1 HB2 GLU 1 7.556 0.638 0.872 7 HB3 GLU 1 HB1 GLU 1 5.875 0.363 0.429 8 HG2 GLU 1 HG2 GLU 1 6.549 -1.591 -0.921 9 HG3 GLU 1 HG1 GLU 1 8.230 -1.326 -0.462 10 H ARG 2 HN ARG 2 8.012 0.943 -3.545 11 HA ARG 2 HA ARG 2 10.608 -0.054 -3.055 12 HB2 ARG 2 HB2 ARG 2 9.468 1.374 -5.456 13 HB3 ARG 2 HB1 ARG 2 11.109 0.746 -5.396 14 HG2 ARG 2 HG2 ARG 2 9.367 -0.767 -6.508 15 HG3 ARG 2 HG1 ARG 2 10.357 -1.512 -5.255 16 HD2 ARG 2 HD2 ARG 2 7.641 -0.319 -4.709 17 HD3 ARG 2 HD1 ARG 2 7.893 -2.021 -5.104 18 HE ARG 2 HE ARG 2 8.657 -0.712 -2.639 19 HH11 ARG 2 HH21 ARG 2 9.231 -3.321 -4.818 20 HH12 ARG 2 HH22 ARG 2 10.166 -4.237 -3.684 21 HH21 ARG 2 HH11 ARG 2 9.858 -1.898 -1.140 22 HH22 ARG 2 HH12 ARG 2 10.522 -3.430 -1.599 23 H PHE 3 HN PHE 3 12.476 0.913 -3.782 24 HA PHE 3 HA PHE 3 14.049 2.448 -3.889 25 HB2 PHE 3 HB2 PHE 3 12.616 4.379 -4.377 26 HB3 PHE 3 HB1 PHE 3 12.194 4.507 -2.664 27 HD1 PHE 3 HD1 PHE 3 15.271 4.218 -4.815 28 HD2 PHE 3 HD2 PHE 3 13.464 5.943 -1.328 29 HE1 PHE 3 HE1 PHE 3 17.380 5.420 -4.311 30 HE2 PHE 3 HE2 PHE 3 15.573 7.144 -0.817 31 HZ PHE 3 HZ PHE 3 17.527 6.891 -2.321 32 H TYR 4 HN TYR 4 15.268 1.238 -2.495 33 HA TYR 4 HA TYR 4 15.719 2.429 0.063 34 HB2 TYR 4 HB2 TYR 4 15.024 0.498 1.409 35 HB3 TYR 4 HB1 TYR 4 13.649 1.139 0.503 36 HD1 TYR 4 HD1 TYR 4 16.313 -1.443 0.473 37 HD2 TYR 4 HD2 TYR 4 12.522 -0.194 -1.082 38 HE1 TYR 4 HE1 TYR 4 16.114 -3.590 -0.706 39 HE2 TYR 4 HE2 TYR 4 12.297 -2.346 -2.275 40 HH TYR 4 HH TYR 4 14.752 -4.916 -1.905 41 H GLU 5 HN GLU 5 17.509 1.445 1.183 42 HA GLU 5 HA GLU 5 19.180 -0.303 -0.547 43 HB2 GLU 5 HB2 GLU 5 20.063 2.020 -0.353 44 HB3 GLU 5 HB1 GLU 5 20.082 1.855 1.393 45 HG2 GLU 5 HG2 GLU 5 21.659 0.124 -0.529 46 HG3 GLU 5 HG1 GLU 5 22.318 1.475 0.386 47 H LYS 6 HN LYS 6 18.648 -2.233 0.330 48 HA LYS 6 HA LYS 6 18.788 -2.543 3.270 49 HB2 LYS 6 HB2 LYS 6 16.637 -3.153 2.215 50 HB3 LYS 6 HB1 LYS 6 17.504 -4.289 1.184 51 HG2 LYS 6 HG2 LYS 6 18.222 -5.578 3.129 52 HG3 LYS 6 HG1 LYS 6 17.490 -4.403 4.203 53 HD2 LYS 6 HD2 LYS 6 16.070 -6.382 4.042 54 HD3 LYS 6 HD1 LYS 6 15.253 -4.997 3.342 55 HE2 LYS 6 HE2 LYS 6 16.716 -7.117 1.739 56 HE3 LYS 6 HE1 LYS 6 14.979 -7.097 2.012 57 HZ1 LYS 6 HZ1 LYS 6 16.545 -5.607 0.146 58 HZ2 LYS 6 HZ2 LYS 6 15.529 -4.603 1.070 59 HZ3 LYS 6 HZ3 LYS 6 14.874 -5.887 0.177 60 HAC 4G6 7 HAC 4G6 7 24.493 -5.775 2.554 61 HAB 4G6 7 HAB 4G6 7 25.221 -4.439 3.476 62 HAA 4G6 7 HAA 4G6 7 24.149 -5.602 4.292 63 HAF 4G6 7 HAF 4G6 7 23.859 -2.959 1.422 64 HAD 4G6 7 HAD 4G6 7 22.187 -3.535 1.207 65 HAE 4G6 7 HAE 4G6 7 23.553 -4.654 0.978 66 HAL 4G6 7 HAL 4G6 7 23.463 -2.108 3.458 67 HAH 4G6 7 HAH 4G6 7 21.930 -5.498 4.249 68 HAG 4G6 7 HAG 4G6 7 21.748 -5.731 2.496 69 HAI 4G6 7 HAI 4G6 7 20.401 -3.648 4.137 70 HA DPR 8 HA DPR 8 23.393 -1.878 6.880 71 HB2 DPR 8 HB2 DPR 8 24.729 -0.731 5.320 72 HB3 DPR 8 HB1 DPR 8 23.385 -0.558 4.172 73 HG2 DPR 8 HG2 DPR 8 23.896 0.915 6.711 74 HG3 DPR 8 HG1 DPR 8 23.203 1.502 5.189 75 HD2 DPR 8 HD2 DPR 8 21.739 0.655 7.492 76 HD3 DPR 8 HD1 DPR 8 21.065 0.997 5.884 77 H VAL 9 HN VAL 9 18.689 -0.564 4.505 78 HA VAL 9 HA VAL 9 19.442 -0.054 7.278 79 HB VAL 9 HB VAL 9 17.276 -1.114 7.515 80 HG11 VAL 9 HG11 VAL 9 17.586 -2.345 5.211 81 HG12 VAL 9 HG12 VAL 9 16.603 -3.073 6.476 82 HG13 VAL 9 HG13 VAL 9 18.248 -3.635 6.218 83 HG21 VAL 9 HG21 VAL 9 19.256 -1.692 9.024 84 HG22 VAL 9 HG22 VAL 9 19.389 -3.193 8.108 85 HG23 VAL 9 HG23 VAL 9 17.924 -2.847 9.026 86 H GLN 10 HN GLN 10 15.623 2.262 5.409 87 HA GLN 10 HA GLN 10 17.038 0.664 3.577 88 HB2 GLN 10 HB2 GLN 10 19.163 2.015 3.483 89 HB3 GLN 10 HB1 GLN 10 17.842 2.656 2.517 90 HG2 GLN 10 HG2 GLN 10 18.945 4.466 3.724 91 HG3 GLN 10 HG1 GLN 10 17.314 4.247 4.348 92 HE21 GLN 10 HE21 GLN 10 17.271 4.353 6.593 93 HE22 GLN 10 HE22 GLN 10 18.512 3.817 7.620 94 H LYS 11 HN LYS 11 13.630 3.664 1.792 95 HA LYS 11 HA LYS 11 14.102 4.078 4.611 96 HB2 LYS 11 HB2 LYS 11 13.323 1.847 5.314 97 HB3 LYS 11 HB1 LYS 11 11.988 2.829 4.710 98 HG2 LYS 11 HG2 LYS 11 12.165 1.711 2.511 99 HG3 LYS 11 HG1 LYS 11 13.482 0.718 3.131 100 HD2 LYS 11 HD2 LYS 11 11.992 -0.226 4.842 101 HD3 LYS 11 HD1 LYS 11 10.668 0.778 4.250 102 HE2 LYS 11 HE2 LYS 11 10.511 -1.497 3.320 103 HE3 LYS 11 HE1 LYS 11 10.822 -0.322 2.043 104 HZ1 LYS 11 HZ1 LYS 11 12.899 -1.098 1.702 105 HZ2 LYS 11 HZ2 LYS 11 12.236 -2.531 2.328 106 HZ3 LYS 11 HZ3 LYS 11 13.151 -1.507 3.328 107 H PHE 12 HN PHE 12 10.543 4.527 0.262 108 HA PHE 12 HA PHE 12 12.697 5.172 0.680 109 HB2 PHE 12 HB2 PHE 12 11.270 7.427 2.094 110 HB3 PHE 12 HB1 PHE 12 13.015 7.374 1.873 111 HD1 PHE 12 HD1 PHE 12 9.900 6.858 -0.212 112 HD2 PHE 12 HD2 PHE 12 13.864 8.511 0.031 113 HE1 PHE 12 HE1 PHE 12 9.681 7.775 -2.503 114 HE2 PHE 12 HE2 PHE 12 13.622 9.420 -2.258 115 HZ PHE 12 HZ PHE 12 11.526 9.052 -3.524 116 H ILE 13 HN ILE 13 9.055 3.643 -0.324 117 HA ILE 13 HA ILE 13 7.559 5.389 1.580 118 HB ILE 13 HB ILE 13 7.071 2.962 1.908 119 HG12 ILE 13 HG12 ILE 13 8.774 4.161 4.121 120 HG13 ILE 13 HG11 ILE 13 7.071 4.532 3.853 121 HG21 ILE 13 HG21 ILE 13 8.838 1.464 2.608 122 HG22 ILE 13 HG22 ILE 13 10.009 2.779 2.638 123 HG23 ILE 13 HG23 ILE 13 9.348 2.227 1.104 124 HD11 ILE 13 HD11 ILE 13 7.097 2.835 5.524 125 HD12 ILE 13 HD12 ILE 13 8.306 1.892 4.653 126 HD13 ILE 13 HD13 ILE 13 6.661 2.007 4.029 127 H ARG 14 HN ARG 14 5.710 4.907 -2.856 128 HA ARG 14 HA ARG 14 8.205 3.415 -2.331 129 HB2 ARG 14 HB2 ARG 14 8.011 6.312 -3.134 130 HB3 ARG 14 HB1 ARG 14 9.479 5.497 -2.580 131 HG2 ARG 14 HG2 ARG 14 9.315 3.910 -4.426 132 HG3 ARG 14 HG1 ARG 14 7.837 4.687 -4.987 133 HD2 ARG 14 HD2 ARG 14 9.770 5.496 -6.279 134 HD3 ARG 14 HD1 ARG 14 9.075 6.801 -5.322 135 HE ARG 14 HE ARG 14 11.115 5.579 -3.813 136 HH11 ARG 14 HH21 ARG 14 10.653 7.450 -6.690 137 HH12 ARG 14 HH22 ARG 14 12.194 8.237 -6.589 138 HH21 ARG 14 HH11 ARG 14 13.125 6.624 -3.668 139 HH22 ARG 14 HH12 ARG 14 13.595 7.765 -4.882 140 H1 ACE 15 HA2 ACE 15 4.584 4.021 -4.988 141 H2 ACE 15 HA3 ACE 15 3.969 3.136 -3.591 142 H3 ACE 15 HA1 ACE 15 4.604 2.258 -4.983 Start of MODEL 4 1 H1 ACE 0 HA2 ACE 0 5.550 2.892 -6.311 2 H2 ACE 0 HA3 ACE 0 5.884 4.576 -6.721 3 H3 ACE 0 HA1 ACE 0 5.940 4.051 -5.039 4 H GLU 1 HN GLU 1 7.845 3.317 -4.222 5 HA GLU 1 HA GLU 1 9.973 2.424 -6.031 6 HB2 GLU 1 HB2 GLU 1 10.300 4.875 -5.729 7 HB3 GLU 1 HB1 GLU 1 10.358 4.629 -3.982 8 HG2 GLU 1 HG2 GLU 1 12.269 3.123 -4.262 9 HG3 GLU 1 HG1 GLU 1 12.218 3.363 -5.998 10 H ARG 2 HN ARG 2 10.905 0.664 -5.183 11 HA ARG 2 HA ARG 2 9.854 -0.549 -2.917 12 HB2 ARG 2 HB2 ARG 2 11.433 -2.307 -3.248 13 HB3 ARG 2 HB1 ARG 2 10.998 -1.705 -4.838 14 HG2 ARG 2 HG2 ARG 2 13.538 -1.086 -3.298 15 HG3 ARG 2 HG1 ARG 2 13.398 -2.046 -4.756 16 HD2 ARG 2 HD2 ARG 2 12.932 0.920 -4.510 17 HD3 ARG 2 HD1 ARG 2 14.255 0.126 -5.329 18 HE ARG 2 HE ARG 2 11.693 0.604 -6.375 19 HH11 ARG 2 HH21 ARG 2 14.289 -1.670 -6.311 20 HH12 ARG 2 HH22 ARG 2 13.857 -2.423 -7.810 21 HH21 ARG 2 HH11 ARG 2 11.110 -0.382 -8.352 22 HH22 ARG 2 HH12 ARG 2 12.060 -1.694 -8.963 23 H PHE 3 HN PHE 3 12.228 1.757 -3.127 24 HA PHE 3 HA PHE 3 14.230 1.736 -1.554 25 HB2 PHE 3 HB2 PHE 3 12.940 3.807 -2.220 26 HB3 PHE 3 HB1 PHE 3 11.966 3.578 -0.778 27 HD1 PHE 3 HD1 PHE 3 15.560 3.738 -1.823 28 HD2 PHE 3 HD2 PHE 3 12.653 4.696 1.163 29 HE1 PHE 3 HE1 PHE 3 17.287 4.961 -0.533 30 HE2 PHE 3 HE2 PHE 3 14.359 5.921 2.461 31 HZ PHE 3 HZ PHE 3 16.687 6.062 1.606 32 H TYR 4 HN TYR 4 13.697 -0.450 -0.276 33 HA TYR 4 HA TYR 4 12.341 0.149 2.296 34 HB2 TYR 4 HB2 TYR 4 11.915 -2.246 2.483 35 HB3 TYR 4 HB1 TYR 4 11.280 -1.628 0.964 36 HD1 TYR 4 HD1 TYR 4 14.364 -3.172 2.382 37 HD2 TYR 4 HD2 TYR 4 11.803 -2.780 -1.006 38 HE1 TYR 4 HE1 TYR 4 15.802 -4.724 1.165 39 HE2 TYR 4 HE2 TYR 4 13.205 -4.394 -2.246 40 HH TYR 4 HH TYR 4 15.588 -5.197 -2.176 41 H GLU 5 HN GLU 5 13.126 -0.666 4.189 42 HA GLU 5 HA GLU 5 15.245 -0.129 5.378 43 HB2 GLU 5 HB2 GLU 5 15.416 -2.277 6.597 44 HB3 GLU 5 HB1 GLU 5 13.765 -1.689 6.427 45 HG2 GLU 5 HG2 GLU 5 13.423 -3.195 4.508 46 HG3 GLU 5 HG1 GLU 5 15.073 -3.787 4.670 47 H LYS 6 HN LYS 6 15.644 -2.774 3.086 48 HA LYS 6 HA LYS 6 18.545 -2.207 3.079 49 HB2 LYS 6 HB2 LYS 6 17.242 -4.931 2.904 50 HB3 LYS 6 HB1 LYS 6 18.962 -4.612 2.709 51 HG2 LYS 6 HG2 LYS 6 19.054 -3.706 5.000 52 HG3 LYS 6 HG1 LYS 6 17.330 -4.011 5.194 53 HD2 LYS 6 HD2 LYS 6 17.709 -6.421 4.841 54 HD3 LYS 6 HD1 LYS 6 19.435 -6.121 4.638 55 HE2 LYS 6 HE2 LYS 6 18.948 -6.865 6.937 56 HE3 LYS 6 HE1 LYS 6 19.541 -5.204 6.933 57 HZ1 LYS 6 HZ1 LYS 6 17.136 -6.153 7.957 58 HZ2 LYS 6 HZ2 LYS 6 16.746 -5.198 6.606 59 HZ3 LYS 6 HZ3 LYS 6 17.666 -4.544 7.875 60 HAC 4G6 7 HAC 4G6 7 20.699 -4.860 -1.969 61 HAB 4G6 7 HAB 4G6 7 21.959 -3.907 -1.151 62 HAA 4G6 7 HAA 4G6 7 20.566 -4.521 -0.228 63 HAF 4G6 7 HAF 4G6 7 19.431 -1.804 -3.254 64 HAD 4G6 7 HAD 4G6 7 19.490 -3.576 -3.422 65 HAE 4G6 7 HAE 4G6 7 20.995 -2.626 -3.455 66 HAL 4G6 7 HAL 4G6 7 20.737 -0.797 -1.455 67 HAH 4G6 7 HAH 4G6 7 18.234 -3.853 -1.305 68 HAG 4G6 7 HAG 4G6 7 18.135 -2.083 -1.208 69 HAI 4G6 7 HAI 4G6 7 19.585 -3.298 1.034 70 HA DPR 8 HA DPR 8 23.190 -0.578 0.937 71 HB2 DPR 8 HB2 DPR 8 23.003 0.584 -1.103 72 HB3 DPR 8 HB1 DPR 8 21.234 0.686 -0.985 73 HG2 DPR 8 HG2 DPR 8 23.308 2.215 0.522 74 HG3 DPR 8 HG1 DPR 8 21.797 2.790 -0.210 75 HD2 DPR 8 HD2 DPR 8 22.089 2.156 2.490 76 HD3 DPR 8 HD1 DPR 8 20.532 2.179 1.631 77 H VAL 9 HN VAL 9 18.195 -0.153 2.946 78 HA VAL 9 HA VAL 9 20.553 1.294 3.992 79 HB VAL 9 HB VAL 9 19.677 -1.472 4.862 80 HG11 VAL 9 HG11 VAL 9 22.022 -1.422 4.794 81 HG12 VAL 9 HG12 VAL 9 21.593 -1.136 6.482 82 HG13 VAL 9 HG13 VAL 9 22.088 0.212 5.457 83 HG21 VAL 9 HG21 VAL 9 18.909 -0.604 6.862 84 HG22 VAL 9 HG22 VAL 9 18.524 0.760 5.823 85 HG23 VAL 9 HG23 VAL 9 19.985 0.793 6.797 86 H GLN 10 HN GLN 10 16.202 3.376 4.364 87 HA GLN 10 HA GLN 10 16.213 0.810 3.073 88 HB2 GLN 10 HB2 GLN 10 15.622 2.262 1.168 89 HB3 GLN 10 HB1 GLN 10 17.079 3.200 1.481 90 HG2 GLN 10 HG2 GLN 10 18.478 1.220 1.061 91 HG3 GLN 10 HG1 GLN 10 17.034 0.252 0.783 92 HE21 GLN 10 HE21 GLN 10 16.640 -0.016 -1.412 93 HE22 GLN 10 HE22 GLN 10 16.988 1.133 -2.612 94 H LYS 11 HN LYS 11 12.361 3.989 2.976 95 HA LYS 11 HA LYS 11 14.343 4.375 4.929 96 HB2 LYS 11 HB2 LYS 11 14.035 2.382 6.371 97 HB3 LYS 11 HB1 LYS 11 12.750 3.556 6.589 98 HG2 LYS 11 HG2 LYS 11 11.320 2.251 5.030 99 HG3 LYS 11 HG1 LYS 11 12.609 1.060 4.876 100 HD2 LYS 11 HD2 LYS 11 12.505 0.607 7.289 101 HD3 LYS 11 HD1 LYS 11 11.229 1.812 7.466 102 HE2 LYS 11 HE2 LYS 11 10.270 -0.453 7.324 103 HE3 LYS 11 HE1 LYS 11 9.791 0.514 5.931 104 HZ1 LYS 11 HZ1 LYS 11 10.789 -1.900 5.682 105 HZ2 LYS 11 HZ2 LYS 11 12.251 -1.038 5.707 106 HZ3 LYS 11 HZ3 LYS 11 11.077 -0.689 4.530 107 H PHE 12 HN PHE 12 11.424 5.137 1.922 108 HA PHE 12 HA PHE 12 10.534 6.703 3.983 109 HB2 PHE 12 HB2 PHE 12 9.216 5.018 5.326 110 HB3 PHE 12 HB1 PHE 12 8.381 5.725 3.957 111 HD1 PHE 12 HD2 PHE 12 10.766 3.471 2.544 112 HD2 PHE 12 HD1 PHE 12 7.052 3.530 4.718 113 HE1 PHE 12 HE2 PHE 12 10.225 1.298 1.644 114 HE2 PHE 12 HE1 PHE 12 6.522 1.297 3.807 115 HZ PHE 12 HZ PHE 12 8.093 0.174 2.262 116 H ILE 13 HN ILE 13 9.152 4.507 -1.508 117 HA ILE 13 HA ILE 13 10.947 5.519 -0.164 118 HB ILE 13 HB ILE 13 9.839 6.939 -1.850 119 HG12 ILE 13 HG12 ILE 13 11.722 7.905 -0.575 120 HG13 ILE 13 HG11 ILE 13 10.546 9.133 -1.003 121 HG21 ILE 13 HG21 ILE 13 7.977 8.274 -1.418 122 HG22 ILE 13 HG22 ILE 13 8.216 8.242 0.325 123 HG23 ILE 13 HG23 ILE 13 7.596 6.817 -0.502 124 HD11 ILE 13 HD11 ILE 13 10.972 9.693 1.195 125 HD12 ILE 13 HD12 ILE 13 11.249 8.030 1.693 126 HD13 ILE 13 HD13 ILE 13 9.603 8.616 1.425 127 H ARG 14 HN ARG 14 7.859 1.598 0.502 128 HA ARG 14 HA ARG 14 7.296 3.418 -1.728 129 HB2 ARG 14 HB2 ARG 14 5.123 2.732 -0.948 130 HB3 ARG 14 HB1 ARG 14 5.582 3.034 0.722 131 HG2 ARG 14 HG2 ARG 14 4.171 4.859 -0.118 132 HG3 ARG 14 HG1 ARG 14 5.784 5.453 0.230 133 HD2 ARG 14 HD2 ARG 14 4.787 4.707 -2.530 134 HD3 ARG 14 HD1 ARG 14 4.840 6.345 -1.896 135 HE ARG 14 HE ARG 14 7.417 5.213 -1.690 136 HH11 ARG 14 HH21 ARG 14 5.089 6.281 -4.017 137 HH12 ARG 14 HH22 ARG 14 6.270 6.703 -5.212 138 HH21 ARG 14 HH11 ARG 14 8.973 5.768 -3.256 139 HH22 ARG 14 HH12 ARG 14 8.466 6.414 -4.782 140 H1 ACE 15 HA2 ACE 15 9.159 -0.439 -0.715 141 H2 ACE 15 HA3 ACE 15 7.934 -1.145 -1.773 142 H3 ACE 15 HA1 ACE 15 7.541 -0.766 -0.098 Start of MODEL 5 1 H1 ACE 0 HA2 ACE 0 4.480 1.513 -4.224 2 H2 ACE 0 HA3 ACE 0 4.076 0.602 -5.678 3 H3 ACE 0 HA1 ACE 0 4.856 2.176 -5.815 4 H GLU 1 HN GLU 1 6.938 2.135 -4.155 5 HA GLU 1 HA GLU 1 8.488 -0.321 -4.798 6 HB2 GLU 1 HB2 GLU 1 9.482 2.526 -5.002 7 HB3 GLU 1 HB1 GLU 1 10.450 1.077 -5.248 8 HG2 GLU 1 HG2 GLU 1 8.981 0.414 -7.114 9 HG3 GLU 1 HG1 GLU 1 8.024 1.875 -6.876 10 H ARG 2 HN ARG 2 9.879 -1.038 -3.293 11 HA ARG 2 HA ARG 2 9.512 -0.277 -0.573 12 HB2 ARG 2 HB2 ARG 2 11.670 -1.963 -1.856 13 HB3 ARG 2 HB1 ARG 2 11.293 -1.914 -0.136 14 HG2 ARG 2 HG2 ARG 2 9.071 -2.824 -0.554 15 HG3 ARG 2 HG1 ARG 2 9.356 -2.783 -2.298 16 HD2 ARG 2 HD2 ARG 2 10.969 -4.380 -0.290 17 HD3 ARG 2 HD1 ARG 2 9.769 -5.042 -1.398 18 HE ARG 2 HE ARG 2 11.680 -3.577 -2.888 19 HH11 ARG 2 HH21 ARG 2 11.319 -6.454 -0.992 20 HH12 ARG 2 HH22 ARG 2 12.589 -7.312 -1.799 21 HH21 ARG 2 HH11 ARG 2 13.348 -4.700 -3.950 22 HH22 ARG 2 HH12 ARG 2 13.739 -6.319 -3.475 23 H PHE 3 HN PHE 3 11.936 0.153 -2.969 24 HA PHE 3 HA PHE 3 14.029 1.124 -2.940 25 HB2 PHE 3 HB2 PHE 3 12.568 3.035 -3.615 26 HB3 PHE 3 HB1 PHE 3 12.390 3.487 -1.916 27 HD1 PHE 3 HD1 PHE 3 15.073 2.659 -4.416 28 HD2 PHE 3 HD2 PHE 3 13.943 4.937 -0.968 29 HE1 PHE 3 HE1 PHE 3 17.288 3.773 -4.429 30 HE2 PHE 3 HE2 PHE 3 16.151 6.082 -0.993 31 HZ PHE 3 HZ PHE 3 17.823 5.493 -2.725 32 H TYR 4 HN TYR 4 14.468 -0.356 -0.892 33 HA TYR 4 HA TYR 4 15.062 1.422 1.413 34 HB2 TYR 4 HB2 TYR 4 15.182 -0.546 2.819 35 HB3 TYR 4 HB1 TYR 4 13.626 -0.471 2.021 36 HD1 TYR 4 HD2 TYR 4 15.662 -1.572 -0.615 37 HD2 TYR 4 HD1 TYR 4 14.145 -2.871 3.190 38 HE1 TYR 4 HE2 TYR 4 16.030 -3.904 -1.256 39 HE2 TYR 4 HE1 TYR 4 14.485 -5.206 2.509 40 HH TYR 4 HH TYR 4 16.120 -6.048 -0.495 41 H GLU 5 HN GLU 5 17.004 2.257 0.491 42 HA GLU 5 HA GLU 5 19.116 1.284 -0.754 43 HB2 GLU 5 HB2 GLU 5 19.050 3.473 0.419 44 HB3 GLU 5 HB1 GLU 5 19.368 2.654 1.942 45 HG2 GLU 5 HG2 GLU 5 21.214 2.616 -0.462 46 HG3 GLU 5 HG1 GLU 5 21.414 3.663 0.941 47 H LYS 6 HN LYS 6 20.386 -0.518 -0.745 48 HA LYS 6 HA LYS 6 20.106 -2.337 1.565 49 HB2 LYS 6 HB2 LYS 6 21.173 -3.020 -1.182 50 HB3 LYS 6 HB1 LYS 6 20.784 -4.119 0.103 51 HG2 LYS 6 HG2 LYS 6 19.003 -4.191 -1.523 52 HG3 LYS 6 HG1 LYS 6 18.406 -3.492 -0.030 53 HD2 LYS 6 HD2 LYS 6 17.503 -2.321 -1.997 54 HD3 LYS 6 HD1 LYS 6 18.477 -1.237 -1.059 55 HE2 LYS 6 HE2 LYS 6 19.395 -2.669 -3.559 56 HE3 LYS 6 HE1 LYS 6 18.839 -1.003 -3.505 57 HZ1 LYS 6 HZ1 LYS 6 20.916 -0.438 -3.079 58 HZ2 LYS 6 HZ2 LYS 6 21.400 -2.058 -2.922 59 HZ3 LYS 6 HZ3 LYS 6 20.797 -1.209 -1.579 60 HAC 4G6 7 HAC 4G6 7 26.091 -1.094 2.646 61 HAB 4G6 7 HAB 4G6 7 25.869 -0.446 4.290 62 HAA 4G6 7 HAA 4G6 7 26.080 -2.197 4.043 63 HAF 4G6 7 HAF 4G6 7 24.016 -0.189 1.745 64 HAD 4G6 7 HAD 4G6 7 23.808 0.676 3.292 65 HAE 4G6 7 HAE 4G6 7 22.496 -0.347 2.651 66 HAL 4G6 7 HAL 4G6 7 23.760 -0.829 5.486 67 HAH 4G6 7 HAH 4G6 7 24.030 -3.587 3.227 68 HAG 4G6 7 HAG 4G6 7 24.535 -2.686 1.778 69 HAI 4G6 7 HAI 4G6 7 21.756 -3.117 2.708 70 HA DPR 8 HA DPR 8 22.153 -3.309 7.083 71 HB2 DPR 8 HB2 DPR 8 23.714 -1.701 7.842 72 HB3 DPR 8 HB1 DPR 8 22.992 -0.415 6.853 73 HG2 DPR 8 HG2 DPR 8 21.945 -1.677 9.345 74 HG3 DPR 8 HG1 DPR 8 21.958 0.032 8.869 75 HD2 DPR 8 HD2 DPR 8 19.773 -1.713 8.551 76 HD3 DPR 8 HD1 DPR 8 19.979 -0.171 7.693 77 H VAL 9 HN VAL 9 18.192 -0.210 4.180 78 HA VAL 9 HA VAL 9 18.147 -1.419 6.890 79 HB VAL 9 HB VAL 9 17.526 -2.635 4.194 80 HG11 VAL 9 HG11 VAL 9 17.667 -3.782 6.997 81 HG12 VAL 9 HG12 VAL 9 18.516 -4.346 5.558 82 HG13 VAL 9 HG13 VAL 9 16.771 -4.561 5.693 83 HG21 VAL 9 HG21 VAL 9 15.255 -2.837 5.239 84 HG22 VAL 9 HG22 VAL 9 15.760 -1.164 5.013 85 HG23 VAL 9 HG23 VAL 9 15.845 -1.902 6.612 86 H GLN 10 HN GLN 10 15.845 2.520 5.932 87 HA GLN 10 HA GLN 10 17.988 1.950 3.978 88 HB2 GLN 10 HB2 GLN 10 18.311 3.467 6.586 89 HB3 GLN 10 HB1 GLN 10 19.616 2.991 5.500 90 HG2 GLN 10 HG2 GLN 10 18.631 4.358 3.702 91 HG3 GLN 10 HG1 GLN 10 17.320 4.837 4.779 92 HE21 GLN 10 HE21 GLN 10 17.677 6.846 5.714 93 HE22 GLN 10 HE22 GLN 10 19.202 7.489 6.093 94 H LYS 11 HN LYS 11 13.849 3.489 2.146 95 HA LYS 11 HA LYS 11 14.047 3.924 5.020 96 HB2 LYS 11 HB2 LYS 11 12.253 2.249 4.551 97 HB3 LYS 11 HB1 LYS 11 13.414 1.303 3.646 98 HG2 LYS 11 HG2 LYS 11 13.217 0.213 5.709 99 HG3 LYS 11 HG1 LYS 11 14.719 1.075 5.824 100 HD2 LYS 11 HD2 LYS 11 12.095 1.905 7.086 101 HD3 LYS 11 HD1 LYS 11 13.425 1.147 7.929 102 HE2 LYS 11 HE2 LYS 11 13.345 3.953 6.796 103 HE3 LYS 11 HE1 LYS 11 13.387 3.474 8.464 104 HZ1 LYS 11 HZ1 LYS 11 15.550 2.223 7.578 105 HZ2 LYS 11 HZ2 LYS 11 15.564 3.776 8.264 106 HZ3 LYS 11 HZ3 LYS 11 15.568 3.590 6.576 107 H PHE 12 HN PHE 12 10.213 6.084 2.064 108 HA PHE 12 HA PHE 12 12.573 4.728 0.932 109 HB2 PHE 12 HB2 PHE 12 12.342 7.448 2.265 110 HB3 PHE 12 HB1 PHE 12 13.785 6.802 1.476 111 HD1 PHE 12 HD1 PHE 12 10.156 7.508 0.831 112 HD2 PHE 12 HD2 PHE 12 14.097 7.156 -0.829 113 HE1 PHE 12 HE1 PHE 12 9.283 8.155 -1.393 114 HE2 PHE 12 HE2 PHE 12 13.214 7.752 -3.053 115 HZ PHE 12 HZ PHE 12 10.805 8.296 -3.335 116 H ILE 13 HN ILE 13 8.576 3.940 -0.988 117 HA ILE 13 HA ILE 13 8.245 5.384 1.525 118 HB ILE 13 HB ILE 13 6.792 3.421 1.811 119 HG12 ILE 13 HG12 ILE 13 7.996 4.237 3.813 120 HG13 ILE 13 HG11 ILE 13 7.729 2.505 3.879 121 HG21 ILE 13 HG21 ILE 13 7.579 1.178 1.632 122 HG22 ILE 13 HG22 ILE 13 9.253 1.703 1.458 123 HG23 ILE 13 HG23 ILE 13 8.094 2.013 0.168 124 HD11 ILE 13 HD11 ILE 13 10.285 4.024 3.619 125 HD12 ILE 13 HD12 ILE 13 10.188 2.458 2.810 126 HD13 ILE 13 HD13 ILE 13 9.926 2.572 4.543 127 H ARG 14 HN ARG 14 4.501 5.398 -1.489 128 HA ARG 14 HA ARG 14 6.766 3.900 -2.502 129 HB2 ARG 14 HB2 ARG 14 6.745 5.931 -3.940 130 HB3 ARG 14 HB1 ARG 14 6.760 6.940 -2.502 131 HG2 ARG 14 HG2 ARG 14 9.002 6.846 -3.368 132 HG3 ARG 14 HG1 ARG 14 8.953 5.918 -1.882 133 HD2 ARG 14 HD2 ARG 14 8.857 3.826 -3.134 134 HD3 ARG 14 HD1 ARG 14 8.794 4.711 -4.648 135 HE ARG 14 HE ARG 14 11.127 4.054 -3.166 136 HH11 ARG 14 HH21 ARG 14 9.664 6.547 -5.075 137 HH12 ARG 14 HH22 ARG 14 11.170 7.285 -5.511 138 HH21 ARG 14 HH11 ARG 14 13.099 5.015 -3.737 139 HH22 ARG 14 HH12 ARG 14 13.114 6.416 -4.756 140 H1 ACE 15 HA2 ACE 15 2.364 3.594 -3.339 141 H2 ACE 15 HA3 ACE 15 2.528 5.212 -4.020 142 H3 ACE 15 HA1 ACE 15 2.514 4.989 -2.272 Start of MODEL 6 1 H1 ACE 0 HA2 ACE 0 2.896 1.469 -4.483 2 H2 ACE 0 HA3 ACE 0 3.953 2.740 -5.096 3 H3 ACE 0 HA1 ACE 0 3.851 2.438 -3.361 4 H GLU 1 HN GLU 1 6.207 2.210 -3.452 5 HA GLU 1 HA GLU 1 6.977 -0.572 -4.011 6 HB2 GLU 1 HB2 GLU 1 9.020 0.143 -5.189 7 HB3 GLU 1 HB1 GLU 1 7.567 0.637 -6.056 8 HG2 GLU 1 HG2 GLU 1 7.745 2.894 -5.069 9 HG3 GLU 1 HG1 GLU 1 9.206 2.405 -4.213 10 H ARG 2 HN ARG 2 8.547 -1.359 -2.678 11 HA ARG 2 HA ARG 2 9.406 0.420 -0.490 12 HB2 ARG 2 HB2 ARG 2 9.767 -1.509 0.914 13 HB3 ARG 2 HB1 ARG 2 8.132 -1.561 0.254 14 HG2 ARG 2 HG2 ARG 2 10.505 -3.233 -0.643 15 HG3 ARG 2 HG1 ARG 2 9.119 -3.793 0.263 16 HD2 ARG 2 HD2 ARG 2 8.852 -4.516 -2.004 17 HD3 ARG 2 HD1 ARG 2 7.688 -3.229 -1.726 18 HE ARG 2 HE ARG 2 10.042 -2.100 -2.786 19 HH11 ARG 2 HH21 ARG 2 7.414 -4.193 -3.613 20 HH12 ARG 2 HH22 ARG 2 7.470 -3.825 -5.305 21 HH21 ARG 2 HH11 ARG 2 10.129 -1.618 -5.007 22 HH22 ARG 2 HH12 ARG 2 9.008 -2.366 -6.094 23 H PHE 3 HN PHE 3 10.894 0.522 -2.989 24 HA PHE 3 HA PHE 3 13.136 -0.834 -3.481 25 HB2 PHE 3 HB2 PHE 3 12.876 1.406 -4.345 26 HB3 PHE 3 HB1 PHE 3 13.013 2.101 -2.749 27 HD1 PHE 3 HD1 PHE 3 14.983 -0.257 -4.935 28 HD2 PHE 3 HD2 PHE 3 15.035 3.074 -2.219 29 HE1 PHE 3 HE1 PHE 3 17.446 -0.066 -5.198 30 HE2 PHE 3 HE2 PHE 3 17.468 3.267 -2.472 31 HZ PHE 3 HZ PHE 3 18.693 1.696 -3.968 32 H TYR 4 HN TYR 4 13.762 -2.284 -1.943 33 HA TYR 4 HA TYR 4 14.375 -1.275 0.755 34 HB2 TYR 4 HB2 TYR 4 12.812 -3.245 0.158 35 HB3 TYR 4 HB1 TYR 4 14.284 -4.149 -0.183 36 HD1 TYR 4 HD1 TYR 4 12.776 -1.919 2.309 37 HD2 TYR 4 HD2 TYR 4 15.328 -5.295 1.643 38 HE1 TYR 4 HE1 TYR 4 12.953 -2.213 4.713 39 HE2 TYR 4 HE2 TYR 4 15.540 -5.607 4.097 40 HH TYR 4 HH TYR 4 15.227 -4.496 6.133 41 H GLU 5 HN GLU 5 16.430 -0.813 1.217 42 HA GLU 5 HA GLU 5 18.525 -2.694 0.367 43 HB2 GLU 5 HB2 GLU 5 18.615 -0.799 -1.220 44 HB3 GLU 5 HB1 GLU 5 18.726 0.322 0.129 45 HG2 GLU 5 HG2 GLU 5 20.951 -0.063 -0.817 46 HG3 GLU 5 HG1 GLU 5 20.877 -0.731 0.805 47 H LYS 6 HN LYS 6 18.028 -3.338 2.603 48 HA LYS 6 HA LYS 6 19.166 -1.517 4.649 49 HB2 LYS 6 HB2 LYS 6 16.839 -2.277 5.037 50 HB3 LYS 6 HB1 LYS 6 17.387 -3.952 4.978 51 HG2 LYS 6 HG2 LYS 6 18.873 -3.531 6.914 52 HG3 LYS 6 HG1 LYS 6 18.317 -1.861 6.966 53 HD2 LYS 6 HD2 LYS 6 16.010 -2.632 7.365 54 HD3 LYS 6 HD1 LYS 6 16.567 -4.306 7.324 55 HE2 LYS 6 HE2 LYS 6 17.509 -2.195 9.287 56 HE3 LYS 6 HE1 LYS 6 16.370 -3.493 9.650 57 HZ1 LYS 6 HZ1 LYS 6 19.211 -3.779 8.843 58 HZ2 LYS 6 HZ2 LYS 6 18.127 -5.080 8.966 59 HZ3 LYS 6 HZ3 LYS 6 18.530 -4.173 10.345 60 HAC 4G6 7 HAC 4G6 7 24.954 -4.141 6.121 61 HAB 4G6 7 HAB 4G6 7 24.134 -5.444 5.226 62 HAA 4G6 7 HAA 4G6 7 25.246 -4.344 4.377 63 HAF 4G6 7 HAF 4G6 7 21.989 -4.005 3.267 64 HAD 4G6 7 HAD 4G6 7 23.711 -4.248 2.885 65 HAE 4G6 7 HAE 4G6 7 23.026 -2.604 2.919 66 HAL 4G6 7 HAL 4G6 7 24.280 -1.604 4.511 67 HAH 4G6 7 HAH 4G6 7 22.357 -3.932 6.734 68 HAG 4G6 7 HAG 4G6 7 21.873 -4.962 5.371 69 HAI 4G6 7 HAI 4G6 7 20.906 -2.172 5.850 70 HA DPR 8 HA DPR 8 24.280 0.096 7.469 71 HB2 DPR 8 HB2 DPR 8 25.906 -0.041 5.750 72 HB3 DPR 8 HB1 DPR 8 24.670 0.056 4.474 73 HG2 DPR 8 HG2 DPR 8 25.628 2.194 6.332 74 HG3 DPR 8 HG1 DPR 8 25.276 2.289 4.596 75 HD2 DPR 8 HD2 DPR 8 23.489 3.008 6.669 76 HD3 DPR 8 HD1 DPR 8 23.045 2.720 4.974 77 H VAL 9 HN VAL 9 19.729 0.957 4.432 78 HA VAL 9 HA VAL 9 21.089 2.921 6.120 79 HB VAL 9 HB VAL 9 18.836 2.821 7.063 80 HG11 VAL 9 HG11 VAL 9 17.721 0.892 7.635 81 HG12 VAL 9 HG12 VAL 9 19.204 -0.005 7.941 82 HG13 VAL 9 HG13 VAL 9 18.667 0.282 6.281 83 HG21 VAL 9 HG21 VAL 9 19.508 2.518 9.330 84 HG22 VAL 9 HG22 VAL 9 20.963 3.026 8.472 85 HG23 VAL 9 HG23 VAL 9 20.730 1.327 8.882 86 H GLN 10 HN GLN 10 17.286 4.316 3.291 87 HA GLN 10 HA GLN 10 18.452 1.644 2.730 88 HB2 GLN 10 HB2 GLN 10 18.759 3.276 0.825 89 HB3 GLN 10 HB1 GLN 10 19.628 4.329 1.934 90 HG2 GLN 10 HG2 GLN 10 20.427 1.501 1.211 91 HG3 GLN 10 HG1 GLN 10 21.171 2.957 0.575 92 HE21 GLN 10 HE21 GLN 10 21.667 0.575 2.797 93 HE22 GLN 10 HE22 GLN 10 22.612 1.419 3.921 94 H LYS 11 HN LYS 11 13.942 2.249 1.594 95 HA LYS 11 HA LYS 11 15.110 4.639 2.626 96 HB2 LYS 11 HB2 LYS 11 13.520 4.176 4.398 97 HB3 LYS 11 HB1 LYS 11 14.139 2.540 4.588 98 HG2 LYS 11 HG2 LYS 11 16.365 3.494 5.151 99 HG3 LYS 11 HG1 LYS 11 15.683 5.108 5.037 100 HD2 LYS 11 HD2 LYS 11 14.833 2.952 6.986 101 HD3 LYS 11 HD1 LYS 11 15.861 4.319 7.379 102 HE2 LYS 11 HE2 LYS 11 13.609 4.792 8.144 103 HE3 LYS 11 HE1 LYS 11 13.966 5.847 6.782 104 HZ1 LYS 11 HZ1 LYS 11 12.330 4.954 5.607 105 HZ2 LYS 11 HZ2 LYS 11 11.807 4.204 7.037 106 HZ3 LYS 11 HZ3 LYS 11 12.818 3.369 5.957 107 H PHE 12 HN PHE 12 10.257 4.385 0.009 108 HA PHE 12 HA PHE 12 11.437 2.195 1.424 109 HB2 PHE 12 HB2 PHE 12 13.249 2.464 -0.283 110 HB3 PHE 12 HB1 PHE 12 11.647 2.066 -0.899 111 HD1 PHE 12 HD1 PHE 12 13.814 5.034 -0.060 112 HD2 PHE 12 HD2 PHE 12 10.836 3.338 -2.636 113 HE1 PHE 12 HE1 PHE 12 13.838 7.074 -1.441 114 HE2 PHE 12 HE2 PHE 12 10.897 5.343 -4.039 115 HZ PHE 12 HZ PHE 12 12.380 7.239 -3.450 116 H ILE 13 HN ILE 13 8.365 3.924 -0.531 117 HA ILE 13 HA ILE 13 8.373 5.649 1.774 118 HB ILE 13 HB ILE 13 7.378 4.082 3.372 119 HG12 ILE 13 HG12 ILE 13 7.701 2.002 2.139 120 HG13 ILE 13 HG11 ILE 13 6.014 2.191 2.584 121 HG21 ILE 13 HG21 ILE 13 5.336 4.673 1.225 122 HG22 ILE 13 HG22 ILE 13 6.013 5.915 2.284 123 HG23 ILE 13 HG23 ILE 13 5.090 4.579 2.966 124 HD11 ILE 13 HD11 ILE 13 5.788 1.542 0.379 125 HD12 ILE 13 HD12 ILE 13 7.288 2.313 -0.116 126 HD13 ILE 13 HD13 ILE 13 5.848 3.287 0.164 127 H ARG 14 HN ARG 14 5.796 7.040 -2.311 128 HA ARG 14 HA ARG 14 6.620 4.221 -2.193 129 HB2 ARG 14 HB2 ARG 14 9.003 4.934 -2.333 130 HB3 ARG 14 HB1 ARG 14 8.089 5.133 -3.816 131 HG2 ARG 14 HG2 ARG 14 9.501 7.069 -3.480 132 HG3 ARG 14 HG1 ARG 14 7.828 7.540 -3.308 133 HD2 ARG 14 HD2 ARG 14 9.318 8.588 -1.638 134 HD3 ARG 14 HD1 ARG 14 8.070 7.639 -0.884 135 HE ARG 14 HE ARG 14 10.377 6.027 -1.272 136 HH11 ARG 14 HH21 ARG 14 9.194 8.725 0.547 137 HH12 ARG 14 HH22 ARG 14 10.229 8.440 1.907 138 HH21 ARG 14 HH11 ARG 14 11.739 5.651 0.504 139 HH22 ARG 14 HH12 ARG 14 11.672 6.699 1.881 140 H1 ACE 15 HA2 ACE 15 3.594 7.261 -3.136 141 H2 ACE 15 HA3 ACE 15 3.042 6.078 -4.323 142 H3 ACE 15 HA1 ACE 15 4.318 7.220 -4.744 Start of MODEL 7 1 H1 ACE 0 HA2 ACE 0 3.913 2.633 -2.785 2 H2 ACE 0 HA3 ACE 0 4.283 2.025 -1.171 3 H3 ACE 0 HA1 ACE 0 3.027 1.254 -2.137 4 H GLU 1 HN GLU 1 6.216 2.343 -3.240 5 HA GLU 1 HA GLU 1 6.753 -0.314 -4.332 6 HB2 GLU 1 HB2 GLU 1 8.417 2.212 -4.449 7 HB3 GLU 1 HB1 GLU 1 8.696 0.745 -5.379 8 HG2 GLU 1 HG2 GLU 1 6.234 2.510 -5.576 9 HG3 GLU 1 HG1 GLU 1 7.560 2.482 -6.728 10 H ARG 2 HN ARG 2 8.095 -1.765 -3.529 11 HA ARG 2 HA ARG 2 9.092 -1.505 -0.897 12 HB2 ARG 2 HB2 ARG 2 9.964 -3.719 -1.122 13 HB3 ARG 2 HB1 ARG 2 8.385 -3.671 -1.880 14 HG2 ARG 2 HG2 ARG 2 11.045 -3.544 -3.291 15 HG3 ARG 2 HG1 ARG 2 9.958 -4.919 -3.236 16 HD2 ARG 2 HD2 ARG 2 8.239 -3.569 -4.438 17 HD3 ARG 2 HD1 ARG 2 9.424 -2.259 -4.569 18 HE ARG 2 HE ARG 2 10.641 -4.568 -5.392 19 HH11 ARG 2 HH21 ARG 2 8.081 -2.453 -6.338 20 HH12 ARG 2 HH22 ARG 2 8.265 -2.749 -8.034 21 HH21 ARG 2 HH11 ARG 2 10.896 -4.971 -7.634 22 HH22 ARG 2 HH12 ARG 2 9.857 -4.173 -8.767 23 H PHE 3 HN PHE 3 10.175 0.161 -3.286 24 HA PHE 3 HA PHE 3 12.864 -0.377 -3.721 25 HB2 PHE 3 HB2 PHE 3 11.560 1.390 -4.860 26 HB3 PHE 3 HB1 PHE 3 11.493 2.307 -3.368 27 HD1 PHE 3 HD2 PHE 3 14.792 0.885 -3.503 28 HD2 PHE 3 HD1 PHE 3 12.341 3.933 -5.288 29 HE1 PHE 3 HE2 PHE 3 16.807 2.141 -4.110 30 HE2 PHE 3 HE1 PHE 3 14.383 5.170 -5.935 31 HZ PHE 3 HZ PHE 3 16.615 4.278 -5.346 32 H TYR 4 HN TYR 4 14.360 -0.796 -2.183 33 HA TYR 4 HA TYR 4 14.799 1.175 -0.073 34 HB2 TYR 4 HB2 TYR 4 14.853 -0.408 1.743 35 HB3 TYR 4 HB1 TYR 4 13.301 -0.604 0.949 36 HD1 TYR 4 HD1 TYR 4 16.796 -1.979 0.859 37 HD2 TYR 4 HD2 TYR 4 12.602 -2.778 0.422 38 HE1 TYR 4 HE1 TYR 4 17.306 -4.359 0.553 39 HE2 TYR 4 HE2 TYR 4 13.105 -5.180 0.121 40 HH TYR 4 HH TYR 4 15.727 -6.422 -0.778 41 H GLU 5 HN GLU 5 16.955 0.896 0.858 42 HA GLU 5 HA GLU 5 18.748 -0.908 -0.636 43 HB2 GLU 5 HB2 GLU 5 19.308 2.047 -0.206 44 HB3 GLU 5 HB1 GLU 5 20.421 0.876 -0.900 45 HG2 GLU 5 HG2 GLU 5 17.727 1.637 -2.048 46 HG3 GLU 5 HG1 GLU 5 19.287 2.181 -2.658 47 H LYS 6 HN LYS 6 19.398 -2.197 1.018 48 HA LYS 6 HA LYS 6 20.664 -0.842 3.270 49 HB2 LYS 6 HB2 LYS 6 19.468 -2.087 4.947 50 HB3 LYS 6 HB1 LYS 6 18.424 -1.044 4.020 51 HG2 LYS 6 HG2 LYS 6 17.341 -3.171 4.528 52 HG3 LYS 6 HG1 LYS 6 17.536 -2.953 2.797 53 HD2 LYS 6 HD2 LYS 6 19.414 -4.515 2.775 54 HD3 LYS 6 HD1 LYS 6 19.367 -4.645 4.536 55 HE2 LYS 6 HE2 LYS 6 17.090 -5.592 4.361 56 HE3 LYS 6 HE1 LYS 6 17.165 -5.444 2.606 57 HZ1 LYS 6 HZ1 LYS 6 19.463 -6.775 3.543 58 HZ2 LYS 6 HZ2 LYS 6 18.256 -7.348 2.494 59 HZ3 LYS 6 HZ3 LYS 6 18.088 -7.541 4.173 60 HAC 4G6 7 HAC 4G6 7 24.748 -5.523 4.887 61 HAB 4G6 7 HAB 4G6 7 25.895 -4.193 5.175 62 HAA 4G6 7 HAA 4G6 7 24.560 -4.482 6.318 63 HAF 4G6 7 HAF 4G6 7 23.776 -3.431 2.325 64 HAD 4G6 7 HAD 4G6 7 25.311 -4.140 2.884 65 HAE 4G6 7 HAE 4G6 7 25.037 -2.385 3.015 66 HAL 4G6 7 HAL 4G6 7 24.288 -1.468 4.764 67 HAH 4G6 7 HAH 4G6 7 22.352 -4.810 5.182 68 HAG 4G6 7 HAG 4G6 7 22.590 -4.844 3.417 69 HAI 4G6 7 HAI 4G6 7 21.270 -2.638 4.951 70 HA DPR 8 HA DPR 8 23.523 -0.746 7.853 71 HB2 DPR 8 HB2 DPR 8 24.991 0.133 6.219 72 HB3 DPR 8 HB1 DPR 8 23.726 0.117 4.968 73 HG2 DPR 8 HG2 DPR 8 24.016 1.926 7.327 74 HG3 DPR 8 HG1 DPR 8 23.551 2.317 5.661 75 HD2 DPR 8 HD2 DPR 8 21.754 1.864 7.795 76 HD3 DPR 8 HD1 DPR 8 21.326 1.857 6.069 77 H VAL 9 HN VAL 9 19.076 0.164 4.868 78 HA VAL 9 HA VAL 9 19.566 1.075 7.573 79 HB VAL 9 HB VAL 9 18.648 -0.992 8.668 80 HG11 VAL 9 HG11 VAL 9 16.446 -0.114 8.884 81 HG12 VAL 9 HG12 VAL 9 16.473 0.572 7.264 82 HG13 VAL 9 HG13 VAL 9 17.460 1.283 8.543 83 HG21 VAL 9 HG21 VAL 9 18.346 -2.527 6.862 84 HG22 VAL 9 HG22 VAL 9 17.392 -1.357 5.956 85 HG23 VAL 9 HG23 VAL 9 16.737 -2.088 7.408 86 H GLN 10 HN GLN 10 15.785 2.939 4.951 87 HA GLN 10 HA GLN 10 17.718 1.260 3.519 88 HB2 GLN 10 HB2 GLN 10 18.312 4.130 4.293 89 HB3 GLN 10 HB1 GLN 10 19.476 2.981 3.639 90 HG2 GLN 10 HG2 GLN 10 18.099 2.804 1.565 91 HG3 GLN 10 HG1 GLN 10 16.992 4.001 2.220 92 HE21 GLN 10 HE21 GLN 10 17.400 6.055 1.436 93 HE22 GLN 10 HE22 GLN 10 18.935 6.655 1.029 94 H LYS 11 HN LYS 11 13.101 2.582 1.271 95 HA LYS 11 HA LYS 11 13.834 3.446 3.967 96 HB2 LYS 11 HB2 LYS 11 12.012 1.820 3.718 97 HB3 LYS 11 HB1 LYS 11 13.071 0.754 2.827 98 HG2 LYS 11 HG2 LYS 11 12.834 0.010 5.155 99 HG3 LYS 11 HG1 LYS 11 14.491 0.431 4.775 100 HD2 LYS 11 HD2 LYS 11 13.833 1.239 7.010 101 HD3 LYS 11 HD1 LYS 11 14.238 2.581 5.960 102 HE2 LYS 11 HE2 LYS 11 12.198 3.020 7.287 103 HE3 LYS 11 HE1 LYS 11 11.828 3.003 5.571 104 HZ1 LYS 11 HZ1 LYS 11 11.575 0.590 7.267 105 HZ2 LYS 11 HZ2 LYS 11 10.894 0.872 5.735 106 HZ3 LYS 11 HZ3 LYS 11 10.306 1.701 7.095 107 H PHE 12 HN PHE 12 11.218 5.982 0.328 108 HA PHE 12 HA PHE 12 13.321 4.147 -0.439 109 HB2 PHE 12 HB2 PHE 12 13.452 6.998 0.585 110 HB3 PHE 12 HB1 PHE 12 14.810 6.100 -0.070 111 HD1 PHE 12 HD2 PHE 12 12.073 5.045 -2.063 112 HD2 PHE 12 HD1 PHE 12 14.563 8.489 -1.332 113 HE1 PHE 12 HE2 PHE 12 11.570 5.903 -4.310 114 HE2 PHE 12 HE1 PHE 12 14.031 9.334 -3.595 115 HZ PHE 12 HZ PHE 12 12.530 8.040 -5.081 116 H ILE 13 HN ILE 13 8.771 3.482 -1.589 117 HA ILE 13 HA ILE 13 9.150 5.321 0.732 118 HB ILE 13 HB ILE 13 8.726 2.326 0.774 119 HG12 ILE 13 HG12 ILE 13 6.653 3.556 0.294 120 HG13 ILE 13 HG11 ILE 13 6.607 2.887 1.922 121 HG21 ILE 13 HG21 ILE 13 10.180 2.854 2.572 122 HG22 ILE 13 HG22 ILE 13 8.570 2.809 3.290 123 HG23 ILE 13 HG23 ILE 13 9.329 4.359 2.924 124 HD11 ILE 13 HD11 ILE 13 7.577 5.271 2.591 125 HD12 ILE 13 HD12 ILE 13 5.853 5.053 2.315 126 HD13 ILE 13 HD13 ILE 13 6.863 5.748 1.053 127 H ARG 14 HN ARG 14 5.898 6.385 -3.613 128 HA ARG 14 HA ARG 14 7.484 4.085 -3.164 129 HB2 ARG 14 HB2 ARG 14 8.294 6.922 -3.820 130 HB3 ARG 14 HB1 ARG 14 9.363 5.519 -3.877 131 HG2 ARG 14 HG2 ARG 14 7.904 4.432 -5.489 132 HG3 ARG 14 HG1 ARG 14 6.786 5.792 -5.430 133 HD2 ARG 14 HD2 ARG 14 8.229 5.988 -7.401 134 HD3 ARG 14 HD1 ARG 14 8.577 7.287 -6.266 135 HE ARG 14 HE ARG 14 10.318 5.139 -5.721 136 HH11 ARG 14 HH21 ARG 14 9.593 7.463 -8.178 137 HH12 ARG 14 HH22 ARG 14 11.222 7.565 -8.760 138 HH21 ARG 14 HH11 ARG 14 12.464 5.267 -6.483 139 HH22 ARG 14 HH12 ARG 14 12.845 6.322 -7.802 140 H1 ACE 15 HA2 ACE 15 3.105 5.321 -1.704 141 H2 ACE 15 HA3 ACE 15 3.318 5.297 -3.455 142 H3 ACE 15 HA1 ACE 15 3.804 6.716 -2.527 Start of MODEL 8 1 H1 ACE 0 HA2 ACE 0 3.300 4.050 -5.559 2 H2 ACE 0 HA3 ACE 0 4.987 3.725 -5.960 3 H3 ACE 0 HA1 ACE 0 4.582 4.542 -4.451 4 H GLU 1 HN GLU 1 6.174 2.312 -4.351 5 HA GLU 1 HA GLU 1 4.530 0.511 -2.779 6 HB2 GLU 1 HB2 GLU 1 5.240 -1.527 -3.916 7 HB3 GLU 1 HB1 GLU 1 4.340 -0.487 -5.001 8 HG2 GLU 1 HG2 GLU 1 7.363 -0.639 -4.925 9 HG3 GLU 1 HG1 GLU 1 6.361 -1.546 -6.045 10 H ARG 2 HN ARG 2 6.616 -1.574 -2.855 11 HA ARG 2 HA ARG 2 8.086 -0.938 -0.613 12 HB2 ARG 2 HB2 ARG 2 9.104 -2.628 -2.899 13 HB3 ARG 2 HB1 ARG 2 9.637 -2.695 -1.223 14 HG2 ARG 2 HG2 ARG 2 7.391 -3.438 -0.539 15 HG3 ARG 2 HG1 ARG 2 6.868 -3.388 -2.228 16 HD2 ARG 2 HD2 ARG 2 9.105 -5.089 -1.094 17 HD3 ARG 2 HD1 ARG 2 7.541 -5.668 -1.672 18 HE ARG 2 HE ARG 2 8.856 -4.157 -3.707 19 HH11 ARG 2 HH21 ARG 2 8.915 -7.186 -2.016 20 HH12 ARG 2 HH22 ARG 2 9.753 -8.033 -3.273 21 HH21 ARG 2 HH11 ARG 2 9.958 -5.269 -5.359 22 HH22 ARG 2 HH12 ARG 2 10.344 -6.947 -5.167 23 H PHE 3 HN PHE 3 10.243 -0.262 -0.303 24 HA PHE 3 HA PHE 3 11.921 0.462 -2.415 25 HB2 PHE 3 HB2 PHE 3 10.414 2.230 -2.925 26 HB3 PHE 3 HB1 PHE 3 10.266 2.710 -1.247 27 HD1 PHE 3 HD1 PHE 3 12.908 2.211 -3.893 28 HD2 PHE 3 HD2 PHE 3 11.589 4.431 -0.476 29 HE1 PHE 3 HE1 PHE 3 14.891 3.695 -4.076 30 HE2 PHE 3 HE2 PHE 3 13.515 5.900 -0.650 31 HZ PHE 3 HZ PHE 3 15.198 5.558 -2.461 32 H TYR 4 HN TYR 4 13.531 -0.485 -1.113 33 HA TYR 4 HA TYR 4 14.709 1.308 0.839 34 HB2 TYR 4 HB2 TYR 4 14.766 -0.265 2.680 35 HB3 TYR 4 HB1 TYR 4 13.089 -0.036 2.206 36 HD1 TYR 4 HD1 TYR 4 16.030 -2.274 1.583 37 HD2 TYR 4 HD2 TYR 4 11.755 -1.908 1.742 38 HE1 TYR 4 HE1 TYR 4 15.828 -4.680 1.147 39 HE2 TYR 4 HE2 TYR 4 11.545 -4.343 1.339 40 HH TYR 4 HH TYR 4 14.338 -6.324 0.518 41 H GLU 5 HN GLU 5 16.855 0.519 1.515 42 HA GLU 5 HA GLU 5 17.997 -1.460 -0.370 43 HB2 GLU 5 HB2 GLU 5 18.708 0.809 -1.056 44 HB3 GLU 5 HB1 GLU 5 19.297 1.107 0.573 45 HG2 GLU 5 HG2 GLU 5 21.156 0.509 -0.907 46 HG3 GLU 5 HG1 GLU 5 20.938 -0.714 0.335 47 H LYS 6 HN LYS 6 18.455 -3.185 0.882 48 HA LYS 6 HA LYS 6 19.505 -2.687 3.603 49 HB2 LYS 6 HB2 LYS 6 17.402 -4.006 3.492 50 HB3 LYS 6 HB1 LYS 6 18.247 -5.207 2.512 51 HG2 LYS 6 HG2 LYS 6 19.873 -5.557 4.350 52 HG3 LYS 6 HG1 LYS 6 19.016 -4.356 5.324 53 HD2 LYS 6 HD2 LYS 6 16.986 -5.738 5.269 54 HD3 LYS 6 HD1 LYS 6 17.811 -6.936 4.270 55 HE2 LYS 6 HE2 LYS 6 17.825 -7.623 6.636 56 HE3 LYS 6 HE1 LYS 6 19.464 -7.298 6.072 57 HZ1 LYS 6 HZ1 LYS 6 18.081 -5.004 7.152 58 HZ2 LYS 6 HZ2 LYS 6 19.670 -5.542 7.420 59 HZ3 LYS 6 HZ3 LYS 6 18.378 -6.233 8.282 60 HAC 4G6 7 HAC 4G6 7 25.794 -2.697 0.915 61 HAB 4G6 7 HAB 4G6 7 25.824 -3.544 2.481 62 HAA 4G6 7 HAA 4G6 7 25.144 -4.348 1.047 63 HAF 4G6 7 HAF 4G6 7 23.658 -2.996 -0.241 64 HAD 4G6 7 HAD 4G6 7 23.191 -1.409 0.422 65 HAE 4G6 7 HAE 4G6 7 22.125 -2.817 0.643 66 HAL 4G6 7 HAL 4G6 7 24.176 -0.745 2.232 67 HAH 4G6 7 HAH 4G6 7 23.575 -4.219 3.517 68 HAG 4G6 7 HAG 4G6 7 22.978 -4.770 1.940 69 HAI 4G6 7 HAI 4G6 7 21.620 -2.600 3.507 70 HA DPR 8 HA DPR 8 24.802 -0.386 5.610 71 HB2 DPR 8 HB2 DPR 8 25.801 0.730 3.785 72 HB3 DPR 8 HB1 DPR 8 24.263 0.825 2.899 73 HG2 DPR 8 HG2 DPR 8 25.177 2.401 5.259 74 HG3 DPR 8 HG1 DPR 8 24.205 2.915 3.868 75 HD2 DPR 8 HD2 DPR 8 23.206 2.097 6.423 76 HD3 DPR 8 HD1 DPR 8 22.245 2.382 4.954 77 H VAL 9 HN VAL 9 20.053 0.925 3.887 78 HA VAL 9 HA VAL 9 20.891 1.339 6.554 79 HB VAL 9 HB VAL 9 18.822 0.233 7.182 80 HG11 VAL 9 HG11 VAL 9 19.679 -2.278 5.828 81 HG12 VAL 9 HG12 VAL 9 18.746 -1.069 4.948 82 HG13 VAL 9 HG13 VAL 9 18.083 -1.814 6.398 83 HG21 VAL 9 HG21 VAL 9 21.094 -1.727 7.509 84 HG22 VAL 9 HG22 VAL 9 19.757 -1.435 8.622 85 HG23 VAL 9 HG23 VAL 9 21.003 -0.207 8.401 86 H GLN 10 HN GLN 10 17.054 4.051 4.903 87 HA GLN 10 HA GLN 10 17.800 1.781 3.130 88 HB2 GLN 10 HB2 GLN 10 19.485 4.221 3.771 89 HB3 GLN 10 HB1 GLN 10 19.924 2.896 2.698 90 HG2 GLN 10 HG2 GLN 10 17.607 4.806 2.258 91 HG3 GLN 10 HG1 GLN 10 19.164 4.906 1.449 92 HE21 GLN 10 HE21 GLN 10 19.128 4.007 -0.598 93 HE22 GLN 10 HE22 GLN 10 18.126 2.728 -1.089 94 H LYS 11 HN LYS 11 13.254 2.877 3.117 95 HA LYS 11 HA LYS 11 14.777 5.103 3.830 96 HB2 LYS 11 HB2 LYS 11 15.693 4.422 6.035 97 HB3 LYS 11 HB1 LYS 11 13.985 4.814 6.111 98 HG2 LYS 11 HG2 LYS 11 13.403 2.428 5.999 99 HG3 LYS 11 HG1 LYS 11 15.102 2.006 5.847 100 HD2 LYS 11 HD2 LYS 11 14.367 1.640 8.145 101 HD3 LYS 11 HD1 LYS 11 15.529 2.957 8.097 102 HE2 LYS 11 HE2 LYS 11 13.707 4.600 8.248 103 HE3 LYS 11 HE1 LYS 11 12.514 3.303 8.208 104 HZ1 LYS 11 HZ1 LYS 11 12.722 3.547 10.431 105 HZ2 LYS 11 HZ2 LYS 11 14.308 4.150 10.343 106 HZ3 LYS 11 HZ3 LYS 11 14.021 2.481 10.203 107 H PHE 12 HN PHE 12 11.166 4.675 1.797 108 HA PHE 12 HA PHE 12 10.139 3.637 4.337 109 HB2 PHE 12 HB2 PHE 12 12.000 1.968 2.643 110 HB3 PHE 12 HB1 PHE 12 11.472 1.588 4.270 111 HD1 PHE 12 HD1 PHE 12 10.129 2.465 0.923 112 HD2 PHE 12 HD2 PHE 12 9.618 0.173 4.513 113 HE1 PHE 12 HE1 PHE 12 8.102 1.394 -0.029 114 HE2 PHE 12 HE2 PHE 12 7.601 -0.907 3.556 115 HZ PHE 12 HZ PHE 12 6.840 -0.294 1.276 116 H ILE 13 HN ILE 13 7.765 3.691 0.016 117 HA ILE 13 HA ILE 13 9.818 5.543 0.363 118 HB ILE 13 HB ILE 13 8.205 7.347 0.420 119 HG12 ILE 13 HG12 ILE 13 8.780 8.344 2.591 120 HG13 ILE 13 HG11 ILE 13 9.298 6.778 3.198 121 HG21 ILE 13 HG21 ILE 13 6.785 7.063 2.837 122 HG22 ILE 13 HG22 ILE 13 6.649 5.488 2.070 123 HG23 ILE 13 HG23 ILE 13 6.115 6.929 1.214 124 HD11 ILE 13 HD11 ILE 13 10.499 7.856 0.653 125 HD12 ILE 13 HD12 ILE 13 11.194 6.733 1.824 126 HD13 ILE 13 HD13 ILE 13 11.073 8.448 2.212 127 H ARG 14 HN ARG 14 8.143 2.862 -2.603 128 HA ARG 14 HA ARG 14 6.114 5.018 -2.739 129 HB2 ARG 14 HB2 ARG 14 5.240 2.832 -1.944 130 HB3 ARG 14 HB1 ARG 14 6.419 2.867 -0.641 131 HG2 ARG 14 HG2 ARG 14 5.445 4.966 0.191 132 HG3 ARG 14 HG1 ARG 14 4.240 4.907 -1.089 133 HD2 ARG 14 HD2 ARG 14 3.339 3.975 1.003 134 HD3 ARG 14 HD1 ARG 14 3.451 2.731 -0.243 135 HE ARG 14 HE ARG 14 5.855 2.714 1.225 136 HH11 ARG 14 HH21 ARG 14 2.468 2.091 1.614 137 HH12 ARG 14 HH22 ARG 14 2.689 0.868 2.821 138 HH21 ARG 14 HH11 ARG 14 6.149 1.111 2.813 139 HH22 ARG 14 HH12 ARG 14 4.773 0.315 3.500 140 H1 ACE 15 HA2 ACE 15 8.544 1.892 -4.779 141 H2 ACE 15 HA3 ACE 15 9.679 3.236 -4.899 142 H3 ACE 15 HA1 ACE 15 8.459 3.002 -6.148 Start of MODEL 9 1 H1 ACE 0 HA2 ACE 0 6.446 0.483 -7.401 2 H2 ACE 0 HA3 ACE 0 8.156 0.759 -7.069 3 H3 ACE 0 HA1 ACE 0 6.997 2.076 -6.884 4 H GLU 1 HN GLU 1 6.126 2.403 -4.914 5 HA GLU 1 HA GLU 1 5.720 2.176 -2.675 6 HB2 GLU 1 HB2 GLU 1 5.391 -0.713 -3.488 7 HB3 GLU 1 HB1 GLU 1 4.827 -0.009 -1.975 8 HG2 GLU 1 HG2 GLU 1 3.397 1.557 -3.242 9 HG3 GLU 1 HG1 GLU 1 3.955 0.838 -4.751 10 H ARG 2 HN ARG 2 7.174 -1.030 -3.100 11 HA ARG 2 HA ARG 2 8.907 -0.622 -0.849 12 HB2 ARG 2 HB2 ARG 2 9.713 -2.897 -1.338 13 HB3 ARG 2 HB1 ARG 2 7.951 -2.824 -1.312 14 HG2 ARG 2 HG2 ARG 2 7.912 -2.673 -3.774 15 HG3 ARG 2 HG1 ARG 2 9.675 -2.741 -3.807 16 HD2 ARG 2 HD2 ARG 2 7.860 -4.894 -2.686 17 HD3 ARG 2 HD1 ARG 2 8.679 -4.962 -4.244 18 HE ARG 2 HE ARG 2 10.615 -4.496 -2.257 19 HH11 ARG 2 HH21 ARG 2 8.362 -6.908 -3.296 20 HH12 ARG 2 HH22 ARG 2 9.308 -8.239 -2.717 21 HH21 ARG 2 HH11 ARG 2 11.861 -6.235 -1.495 22 HH22 ARG 2 HH12 ARG 2 11.289 -7.858 -1.697 23 H PHE 3 HN PHE 3 11.041 -0.311 -0.760 24 HA PHE 3 HA PHE 3 12.953 -0.563 -2.777 25 HB2 PHE 3 HB2 PHE 3 11.834 1.223 -3.985 26 HB3 PHE 3 HB1 PHE 3 11.813 2.231 -2.549 27 HD1 PHE 3 HD1 PHE 3 14.277 0.262 -4.601 28 HD2 PHE 3 HD2 PHE 3 13.505 3.813 -2.312 29 HE1 PHE 3 HE1 PHE 3 16.568 1.083 -5.089 30 HE2 PHE 3 HE2 PHE 3 15.777 4.634 -2.795 31 HZ PHE 3 HZ PHE 3 17.319 3.273 -4.194 32 H TYR 4 HN TYR 4 13.769 -1.389 -0.655 33 HA TYR 4 HA TYR 4 14.947 0.810 0.962 34 HB2 TYR 4 HB2 TYR 4 14.816 -0.609 2.909 35 HB3 TYR 4 HB1 TYR 4 13.213 -0.513 2.189 36 HD1 TYR 4 HD1 TYR 4 16.319 -2.604 2.124 37 HD2 TYR 4 HD2 TYR 4 12.050 -2.497 1.742 38 HE1 TYR 4 HE1 TYR 4 16.307 -5.037 1.916 39 HE2 TYR 4 HE2 TYR 4 12.017 -4.962 1.542 40 HH TYR 4 HH TYR 4 13.235 -6.845 1.718 41 H GLU 5 HN GLU 5 17.032 0.299 1.920 42 HA GLU 5 HA GLU 5 18.518 -1.786 0.399 43 HB2 GLU 5 HB2 GLU 5 19.010 0.437 -0.543 44 HB3 GLU 5 HB1 GLU 5 19.489 1.002 1.054 45 HG2 GLU 5 HG2 GLU 5 21.288 -0.682 1.128 46 HG3 GLU 5 HG1 GLU 5 20.799 -1.277 -0.458 47 H LYS 6 HN LYS 6 18.822 -3.288 1.954 48 HA LYS 6 HA LYS 6 19.997 -2.416 4.531 49 HB2 LYS 6 HB2 LYS 6 18.563 -4.997 3.867 50 HB3 LYS 6 HB1 LYS 6 19.344 -4.642 5.406 51 HG2 LYS 6 HG2 LYS 6 17.843 -2.710 5.729 52 HG3 LYS 6 HG1 LYS 6 17.059 -3.066 4.198 53 HD2 LYS 6 HD2 LYS 6 16.381 -5.280 5.041 54 HD3 LYS 6 HD1 LYS 6 17.173 -4.932 6.579 55 HE2 LYS 6 HE2 LYS 6 14.756 -4.496 6.738 56 HE3 LYS 6 HE1 LYS 6 15.670 -2.996 6.909 57 HZ1 LYS 6 HZ1 LYS 6 14.934 -3.720 4.199 58 HZ2 LYS 6 HZ2 LYS 6 14.908 -2.204 4.967 59 HZ3 LYS 6 HZ3 LYS 6 13.640 -3.306 5.215 60 HAC 4G6 7 HAC 4G6 7 26.274 -2.995 2.872 61 HAB 4G6 7 HAB 4G6 7 25.550 -4.336 1.952 62 HAA 4G6 7 HAA 4G6 7 25.993 -2.824 1.122 63 HAF 4G6 7 HAF 4G6 7 23.457 -1.496 0.703 64 HAD 4G6 7 HAD 4G6 7 22.448 -2.906 1.106 65 HAE 4G6 7 HAE 4G6 7 23.981 -3.129 0.229 66 HAL 4G6 7 HAL 4G6 7 24.604 -0.601 2.418 67 HAH 4G6 7 HAH 4G6 7 24.010 -3.908 4.095 68 HAG 4G6 7 HAG 4G6 7 23.324 -4.623 2.618 69 HAI 4G6 7 HAI 4G6 7 22.039 -2.194 3.784 70 HA DPR 8 HA DPR 8 24.941 0.289 5.601 71 HB2 DPR 8 HB2 DPR 8 25.927 1.022 3.573 72 HB3 DPR 8 HB1 DPR 8 24.359 1.031 2.731 73 HG2 DPR 8 HG2 DPR 8 25.377 2.893 4.834 74 HG3 DPR 8 HG1 DPR 8 24.462 3.257 3.359 75 HD2 DPR 8 HD2 DPR 8 23.347 2.922 5.946 76 HD3 DPR 8 HD1 DPR 8 22.444 2.922 4.419 77 H VAL 9 HN VAL 9 19.756 0.941 3.918 78 HA VAL 9 HA VAL 9 21.049 2.275 6.162 79 HB VAL 9 HB VAL 9 19.083 1.370 7.234 80 HG11 VAL 9 HG11 VAL 9 18.305 -0.807 7.030 81 HG12 VAL 9 HG12 VAL 9 19.886 -1.456 6.615 82 HG13 VAL 9 HG13 VAL 9 18.956 -0.557 5.414 83 HG21 VAL 9 HG21 VAL 9 20.185 0.147 8.987 84 HG22 VAL 9 HG22 VAL 9 21.362 1.293 8.344 85 HG23 VAL 9 HG23 VAL 9 21.445 -0.408 7.886 86 H GLN 10 HN GLN 10 16.557 2.935 4.927 87 HA GLN 10 HA GLN 10 18.164 1.965 2.792 88 HB2 GLN 10 HB2 GLN 10 17.549 4.195 1.865 89 HB3 GLN 10 HB1 GLN 10 18.202 4.965 3.300 90 HG2 GLN 10 HG2 GLN 10 19.841 3.265 1.406 91 HG3 GLN 10 HG1 GLN 10 19.715 5.008 1.286 92 HE21 GLN 10 HE21 GLN 10 19.670 4.687 4.530 93 HE22 GLN 10 HE22 GLN 10 21.336 4.676 4.856 94 H LYS 11 HN LYS 11 13.257 1.827 2.316 95 HA LYS 11 HA LYS 11 14.142 3.882 4.257 96 HB2 LYS 11 HB2 LYS 11 14.425 0.902 4.708 97 HB3 LYS 11 HB1 LYS 11 15.158 2.158 5.701 98 HG2 LYS 11 HG2 LYS 11 12.910 3.039 6.242 99 HG3 LYS 11 HG1 LYS 11 12.184 1.760 5.266 100 HD2 LYS 11 HD2 LYS 11 13.208 0.054 6.714 101 HD3 LYS 11 HD1 LYS 11 13.946 1.323 7.692 102 HE2 LYS 11 HE2 LYS 11 11.875 0.513 8.748 103 HE3 LYS 11 HE1 LYS 11 11.704 2.196 8.250 104 HZ1 LYS 11 HZ1 LYS 11 9.817 0.650 7.663 105 HZ2 LYS 11 HZ2 LYS 11 10.862 -0.058 6.525 106 HZ3 LYS 11 HZ3 LYS 11 10.441 1.583 6.391 107 H PHE 12 HN PHE 12 9.947 4.632 1.989 108 HA PHE 12 HA PHE 12 10.457 1.808 2.595 109 HB2 PHE 12 HB2 PHE 12 12.222 1.725 0.923 110 HB3 PHE 12 HB1 PHE 12 10.624 1.891 0.220 111 HD1 PHE 12 HD1 PHE 12 13.527 4.060 1.350 112 HD2 PHE 12 HD2 PHE 12 10.248 3.550 -1.359 113 HE1 PHE 12 HE1 PHE 12 14.140 6.139 0.233 114 HE2 PHE 12 HE2 PHE 12 10.911 5.626 -2.519 115 HZ PHE 12 HZ PHE 12 12.842 6.936 -1.723 116 H ILE 13 HN ILE 13 7.668 3.867 -0.276 117 HA ILE 13 HA ILE 13 7.695 5.207 2.273 118 HB ILE 13 HB ILE 13 5.839 2.815 1.927 119 HG12 ILE 13 HG12 ILE 13 4.701 4.938 1.275 120 HG13 ILE 13 HG11 ILE 13 4.021 4.240 2.729 121 HG21 ILE 13 HG21 ILE 13 6.830 4.296 4.365 122 HG22 ILE 13 HG22 ILE 13 6.982 2.578 3.997 123 HG23 ILE 13 HG23 ILE 13 5.405 3.257 4.402 124 HD11 ILE 13 HD11 ILE 13 6.077 6.002 3.616 125 HD12 ILE 13 HD12 ILE 13 4.342 6.192 3.783 126 HD13 ILE 13 HD13 ILE 13 5.160 6.867 2.386 127 H ARG 14 HN ARG 14 5.282 7.049 -1.953 128 HA ARG 14 HA ARG 14 6.734 4.501 -2.001 129 HB2 ARG 14 HB2 ARG 14 8.084 7.194 -1.878 130 HB3 ARG 14 HB1 ARG 14 8.875 5.658 -1.574 131 HG2 ARG 14 HG2 ARG 14 7.532 6.400 -4.170 132 HG3 ARG 14 HG1 ARG 14 9.253 6.554 -3.873 133 HD2 ARG 14 HD2 ARG 14 9.349 4.087 -3.448 134 HD3 ARG 14 HD1 ARG 14 7.654 3.974 -3.893 135 HE ARG 14 HE ARG 14 8.999 5.266 -5.975 136 HH11 ARG 14 HH21 ARG 14 8.871 2.223 -4.351 137 HH12 ARG 14 HH22 ARG 14 9.266 1.294 -5.758 138 HH21 ARG 14 HH11 ARG 14 9.511 4.061 -7.836 139 HH22 ARG 14 HH12 ARG 14 9.624 2.336 -7.736 140 H1 ACE 15 HA2 ACE 15 2.974 6.256 -3.537 141 H2 ACE 15 HA3 ACE 15 3.810 6.388 -5.084 142 H3 ACE 15 HA1 ACE 15 4.063 7.611 -3.838 Start of MODEL 10 1 H1 ACE 0 HA2 ACE 0 8.882 1.829 -5.652 2 H2 ACE 0 HA3 ACE 0 7.192 1.488 -6.021 3 H3 ACE 0 HA1 ACE 0 8.284 0.171 -5.593 4 H GLU 1 HN GLU 1 5.789 0.835 -4.294 5 HA GLU 1 HA GLU 1 5.867 2.313 -1.989 6 HB2 GLU 1 HB2 GLU 1 4.217 0.742 -1.070 7 HB3 GLU 1 HB1 GLU 1 3.870 1.133 -2.754 8 HG2 GLU 1 HG2 GLU 1 4.985 -0.963 -3.462 9 HG3 GLU 1 HG1 GLU 1 5.297 -1.357 -1.773 10 H ARG 2 HN ARG 2 7.345 -0.818 -2.585 11 HA ARG 2 HA ARG 2 8.276 -1.011 0.199 12 HB2 ARG 2 HB2 ARG 2 9.018 -3.273 -0.459 13 HB3 ARG 2 HB1 ARG 2 7.298 -3.024 -0.762 14 HG2 ARG 2 HG2 ARG 2 7.754 -2.573 -3.131 15 HG3 ARG 2 HG1 ARG 2 9.486 -2.740 -2.852 16 HD2 ARG 2 HD2 ARG 2 7.436 -4.919 -2.388 17 HD3 ARG 2 HD1 ARG 2 8.507 -4.812 -3.784 18 HE ARG 2 HE ARG 2 10.095 -4.698 -1.471 19 HH11 ARG 2 HH21 ARG 2 7.981 -6.862 -3.158 20 HH12 ARG 2 HH22 ARG 2 8.796 -8.295 -2.625 21 HH21 ARG 2 HH11 ARG 2 11.169 -6.574 -0.772 22 HH22 ARG 2 HH12 ARG 2 10.602 -8.132 -1.274 23 H PHE 3 HN PHE 3 9.451 0.943 -1.833 24 HA PHE 3 HA PHE 3 11.953 -0.038 -2.673 25 HB2 PHE 3 HB2 PHE 3 11.086 2.114 -3.503 26 HB3 PHE 3 HB1 PHE 3 11.249 2.811 -1.888 27 HD1 PHE 3 HD1 PHE 3 13.314 0.854 -4.355 28 HD2 PHE 3 HD2 PHE 3 13.223 3.984 -1.415 29 HE1 PHE 3 HE1 PHE 3 15.720 1.304 -4.750 30 HE2 PHE 3 HE2 PHE 3 15.624 4.439 -1.812 31 HZ PHE 3 HZ PHE 3 16.874 3.099 -3.488 32 H TYR 4 HN TYR 4 13.749 -0.552 -1.597 33 HA TYR 4 HA TYR 4 14.456 0.830 0.863 34 HB2 TYR 4 HB2 TYR 4 14.582 -1.118 2.263 35 HB3 TYR 4 HB1 TYR 4 12.966 -1.119 1.570 36 HD1 TYR 4 HD1 TYR 4 16.400 -2.480 1.019 37 HD2 TYR 4 HD2 TYR 4 12.180 -3.039 0.466 38 HE1 TYR 4 HE1 TYR 4 16.846 -4.700 0.085 39 HE2 TYR 4 HE2 TYR 4 12.613 -5.296 -0.456 40 HH TYR 4 HH TYR 4 15.735 -6.794 -0.285 41 H GLU 5 HN GLU 5 16.689 0.211 1.485 42 HA GLU 5 HA GLU 5 18.191 -1.211 -0.623 43 HB2 GLU 5 HB2 GLU 5 18.275 1.295 -1.061 44 HB3 GLU 5 HB1 GLU 5 19.054 1.472 0.505 45 HG2 GLU 5 HG2 GLU 5 20.098 -0.187 -1.804 46 HG3 GLU 5 HG1 GLU 5 20.722 1.382 -1.309 47 H LYS 6 HN LYS 6 19.005 -2.864 0.550 48 HA LYS 6 HA LYS 6 19.804 -2.360 3.358 49 HB2 LYS 6 HB2 LYS 6 17.957 -4.003 2.842 50 HB3 LYS 6 HB1 LYS 6 19.147 -4.982 2.007 51 HG2 LYS 6 HG2 LYS 6 19.180 -4.275 4.963 52 HG3 LYS 6 HG1 LYS 6 18.713 -5.821 4.283 53 HD2 LYS 6 HD2 LYS 6 21.054 -6.061 3.371 54 HD3 LYS 6 HD1 LYS 6 21.480 -4.595 4.251 55 HE2 LYS 6 HE2 LYS 6 20.355 -7.082 5.528 56 HE3 LYS 6 HE1 LYS 6 22.046 -6.584 5.569 57 HZ1 LYS 6 HZ1 LYS 6 19.712 -5.233 6.784 58 HZ2 LYS 6 HZ2 LYS 6 21.193 -4.435 6.548 59 HZ3 LYS 6 HZ3 LYS 6 21.113 -5.804 7.552 60 HAC 4G6 7 HAC 4G6 7 26.385 -1.402 1.651 61 HAB 4G6 7 HAB 4G6 7 26.188 -2.190 3.236 62 HAA 4G6 7 HAA 4G6 7 26.028 -3.143 1.742 63 HAF 4G6 7 HAF 4G6 7 24.784 -1.809 0.059 64 HAD 4G6 7 HAD 4G6 7 23.456 -0.735 0.565 65 HAE 4G6 7 HAE 4G6 7 23.191 -2.490 0.458 66 HAL 4G6 7 HAL 4G6 7 24.021 0.231 2.396 67 HAH 4G6 7 HAH 4G6 7 24.052 -3.327 3.724 68 HAG 4G6 7 HAG 4G6 7 23.707 -3.912 2.086 69 HAI 4G6 7 HAI 4G6 7 21.890 -2.149 3.684 70 HA DPR 8 HA DPR 8 24.371 0.867 5.742 71 HB2 DPR 8 HB2 DPR 8 25.035 2.123 3.854 72 HB3 DPR 8 HB1 DPR 8 23.519 1.769 2.994 73 HG2 DPR 8 HG2 DPR 8 24.008 3.651 5.248 74 HG3 DPR 8 HG1 DPR 8 22.861 3.776 3.902 75 HD2 DPR 8 HD2 DPR 8 22.331 2.769 6.567 76 HD3 DPR 8 HD1 DPR 8 21.204 2.847 5.197 77 H VAL 9 HN VAL 9 18.935 0.454 4.109 78 HA VAL 9 HA VAL 9 20.125 1.458 6.642 79 HB VAL 9 HB VAL 9 18.359 -0.117 7.156 80 HG11 VAL 9 HG11 VAL 9 18.556 -1.286 4.885 81 HG12 VAL 9 HG12 VAL 9 18.178 -2.279 6.289 82 HG13 VAL 9 HG13 VAL 9 19.811 -2.256 5.651 83 HG21 VAL 9 HG21 VAL 9 20.973 -1.588 7.458 84 HG22 VAL 9 HG22 VAL 9 19.608 -1.558 8.572 85 HG23 VAL 9 HG23 VAL 9 20.615 -0.124 8.375 86 H GLN 10 HN GLN 10 16.003 3.517 4.495 87 HA GLN 10 HA GLN 10 17.841 1.892 2.833 88 HB2 GLN 10 HB2 GLN 10 17.475 4.245 2.172 89 HB3 GLN 10 HB1 GLN 10 17.986 4.773 3.771 90 HG2 GLN 10 HG2 GLN 10 20.210 3.781 3.376 91 HG3 GLN 10 HG1 GLN 10 19.691 3.268 1.778 92 HE21 GLN 10 HE21 GLN 10 21.381 5.698 3.305 93 HE22 GLN 10 HE22 GLN 10 21.141 6.943 2.176 94 H LYS 11 HN LYS 11 13.563 2.698 2.044 95 HA LYS 11 HA LYS 11 13.990 2.734 4.910 96 HB2 LYS 11 HB2 LYS 11 13.086 0.273 3.395 97 HB3 LYS 11 HB1 LYS 11 13.837 0.188 4.977 98 HG2 LYS 11 HG2 LYS 11 11.402 1.894 4.590 99 HG3 LYS 11 HG1 LYS 11 11.206 0.162 4.738 100 HD2 LYS 11 HD2 LYS 11 10.896 1.315 6.902 101 HD3 LYS 11 HD1 LYS 11 12.233 0.190 6.950 102 HE2 LYS 11 HE2 LYS 11 12.685 2.289 8.157 103 HE3 LYS 11 HE1 LYS 11 13.829 2.031 6.859 104 HZ1 LYS 11 HZ1 LYS 11 13.220 4.003 6.053 105 HZ2 LYS 11 HZ2 LYS 11 12.064 4.181 7.285 106 HZ3 LYS 11 HZ3 LYS 11 11.643 3.428 5.821 107 H PHE 12 HN PHE 12 10.294 3.439 0.993 108 HA PHE 12 HA PHE 12 12.507 4.147 1.093 109 HB2 PHE 12 HB2 PHE 12 11.566 6.455 2.817 110 HB3 PHE 12 HB1 PHE 12 13.211 6.160 2.337 111 HD1 PHE 12 HD2 PHE 12 11.448 5.165 -0.538 112 HD2 PHE 12 HD1 PHE 12 12.415 8.695 1.736 113 HE1 PHE 12 HE2 PHE 12 11.221 6.547 -2.563 114 HE2 PHE 12 HE1 PHE 12 12.159 10.064 -0.308 115 HZ PHE 12 HZ PHE 12 11.559 8.992 -2.453 116 H ILE 13 HN ILE 13 8.460 3.399 -0.306 117 HA ILE 13 HA ILE 13 7.327 5.106 1.816 118 HB ILE 13 HB ILE 13 6.754 2.704 1.777 119 HG12 ILE 13 HG12 ILE 13 6.778 3.848 3.967 120 HG13 ILE 13 HG11 ILE 13 7.247 2.164 4.119 121 HG21 ILE 13 HG21 ILE 13 8.367 0.992 2.028 122 HG22 ILE 13 HG22 ILE 13 9.641 2.133 2.450 123 HG23 ILE 13 HG23 ILE 13 9.025 2.072 0.800 124 HD11 ILE 13 HD11 ILE 13 8.870 3.111 5.430 125 HD12 ILE 13 HD12 ILE 13 8.860 4.629 4.546 126 HD13 ILE 13 HD13 ILE 13 9.696 3.229 3.885 127 H ARG 14 HN ARG 14 6.192 6.287 -2.769 128 HA ARG 14 HA ARG 14 7.584 3.724 -2.307 129 HB2 ARG 14 HB2 ARG 14 8.905 6.383 -2.726 130 HB3 ARG 14 HB1 ARG 14 9.708 4.885 -2.230 131 HG2 ARG 14 HG2 ARG 14 8.957 3.777 -4.268 132 HG3 ARG 14 HG1 ARG 14 8.125 5.244 -4.784 133 HD2 ARG 14 HD2 ARG 14 11.106 4.974 -4.301 134 HD3 ARG 14 HD1 ARG 14 10.326 5.066 -5.880 135 HE ARG 14 HE ARG 14 10.948 7.262 -4.183 136 HH11 ARG 14 HH21 ARG 14 8.574 6.044 -6.390 137 HH12 ARG 14 HH22 ARG 14 7.957 7.610 -6.799 138 HH21 ARG 14 HH11 ARG 14 10.145 9.311 -4.719 139 HH22 ARG 14 HH12 ARG 14 8.846 9.457 -5.855 140 H1 ACE 15 HA2 ACE 15 4.380 6.277 -3.971 141 H2 ACE 15 HA3 ACE 15 3.692 4.723 -4.438 142 H3 ACE 15 HA1 ACE 15 4.829 5.542 -5.510
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