NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
526938 | 2lma | 17584 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 1 H TRP 1 1.807 0.000 0.856 2 HA TRP 1 HA TRP 1 2.189 -1.024 -1.571 3 HB2 TRP 1 HB2 TRP 1 1.015 1.732 -1.895 4 HB3 TRP 1 HB3 TRP 1 2.035 1.004 -3.133 5 HD1 TRP 1 HD1 TRP 1 0.482 -1.953 -2.213 6 HE1 TRP 1 HE1 TRP 1 -1.727 -2.416 -3.451 7 HE3 TRP 1 HE3 TRP 1 -0.502 2.769 -3.908 8 HZ2 TRP 1 HZ2 TRP 1 -3.633 -0.970 -4.949 9 HZ3 TRP 1 HZ3 TRP 1 -2.538 3.144 -5.237 10 HH2 TRP 1 HH2 TRP 1 -4.070 1.312 -5.746 11 H ARG 2 H ARG 2 4.156 -1.187 -0.375 12 HA ARG 2 HA ARG 2 5.746 0.937 0.461 13 HB2 ARG 2 HB2 ARG 2 6.205 -1.917 -0.199 14 HB3 ARG 2 HB3 ARG 2 7.627 -0.882 -0.174 15 HG2 ARG 2 HG2 ARG 2 7.696 -0.991 2.032 16 HG3 ARG 2 HG3 ARG 2 6.062 -0.333 2.140 17 HD2 ARG 2 HD2 ARG 2 5.093 -2.499 2.044 18 HD3 ARG 2 HD3 ARG 2 6.629 -3.237 1.595 19 HE ARG 2 HE ARG 2 7.108 -2.096 4.026 20 HH11 ARG 2 HH11 ARG 2 4.790 -4.383 2.795 21 HH12 ARG 2 HH12 ARG 2 4.623 -5.222 4.301 22 HH21 ARG 2 HH21 ARG 2 6.896 -3.193 6.015 23 HH22 ARG 2 HH22 ARG 2 5.821 -4.544 6.133 24 HA PRO 3 HA PRO 3 7.509 2.763 -3.117 25 HB2 PRO 3 HB2 PRO 3 10.078 3.193 -2.353 26 HB3 PRO 3 HB3 PRO 3 8.718 4.122 -1.713 27 HG2 PRO 3 HG2 PRO 3 10.164 1.801 -0.497 28 HG3 PRO 3 HG3 PRO 3 9.617 3.304 0.269 29 HD2 PRO 3 HD2 PRO 3 8.256 0.974 0.494 30 HD3 PRO 3 HD3 PRO 3 7.447 2.555 0.478 31 H TYR 4 H TYR 4 7.252 0.665 -4.287 32 HA TYR 4 HA TYR 4 9.889 -0.328 -5.110 33 HB2 TYR 4 HB2 TYR 4 8.455 -1.877 -3.520 34 HB3 TYR 4 HB3 TYR 4 7.600 -2.248 -5.013 35 HD1 TYR 4 HD1 TYR 4 9.180 -2.869 -7.049 36 HD2 TYR 4 HD2 TYR 4 10.274 -3.179 -2.948 37 HE1 TYR 4 HE1 TYR 4 10.919 -4.504 -7.642 38 HE2 TYR 4 HE2 TYR 4 12.016 -4.815 -3.531 39 HH TYR 4 HH TYR 4 12.140 -6.529 -6.110 40 H LEU 5 H LEU 5 6.459 -0.847 -5.949 41 HA LEU 5 HA LEU 5 7.086 -0.860 -8.762 42 HB2 LEU 5 HB2 LEU 5 5.046 -1.768 -9.065 43 HB3 LEU 5 HB3 LEU 5 5.200 -2.105 -7.342 44 HG LEU 5 HG LEU 5 3.998 0.260 -7.165 45 HD11 LEU 5 HD11 LEU 5 4.022 0.077 -9.845 46 HD12 LEU 5 HD12 LEU 5 2.775 0.932 -8.936 47 HD13 LEU 5 HD13 LEU 5 2.483 -0.714 -9.500 48 HD21 LEU 5 HD21 LEU 5 2.444 -2.230 -7.837 49 HD22 LEU 5 HD22 LEU 5 1.959 -0.902 -6.783 50 HD23 LEU 5 HD23 LEU 5 3.268 -1.981 -6.297 51 H GLN 6 H GLN 6 5.994 1.434 -6.423 52 HA GLN 6 HA GLN 6 4.603 3.272 -7.938 53 HB2 GLN 6 HB2 GLN 6 6.495 3.631 -5.625 54 HB3 GLN 6 HB3 GLN 6 5.652 4.994 -6.351 55 HG2 GLN 6 HG2 GLN 6 3.548 3.455 -5.947 56 HG3 GLN 6 HG3 GLN 6 4.595 2.759 -4.711 57 HE21 GLN 6 HE21 GLN 6 2.195 4.832 -5.070 58 HE22 GLN 6 HE22 GLN 6 2.566 5.991 -3.844 59 H THR 7 H THR 7 8.122 3.074 -7.465 60 HA THR 7 HA THR 7 8.726 5.260 -9.171 61 HB THR 7 HB THR 7 10.295 4.455 -7.445 62 HG1 THR 7 HG1 THR 7 11.180 5.637 -9.152 63 HG21 THR 7 HG21 THR 7 11.098 2.358 -7.344 64 HG22 THR 7 HG22 THR 7 11.365 2.277 -9.085 65 HG23 THR 7 HG23 THR 7 9.764 1.952 -8.422 66 H GLU 8 H GLU 8 8.269 1.833 -9.693 67 HA GLU 8 HA GLU 8 9.494 1.503 -12.161 68 HB2 GLU 8 HB2 GLU 8 7.679 0.039 -10.527 69 HB3 GLU 8 HB3 GLU 8 7.048 0.036 -12.168 70 HG2 GLU 8 HG2 GLU 8 8.666 -1.310 -12.928 71 HG3 GLU 8 HG3 GLU 8 9.916 -0.521 -11.967 72 H TYR 9 H TYR 9 6.505 3.086 -11.340 73 HA TYR 9 HA TYR 9 5.546 3.205 -14.056 74 HB2 TYR 9 HB2 TYR 9 4.531 3.859 -11.413 75 HB3 TYR 9 HB3 TYR 9 4.167 5.126 -12.579 76 HD1 TYR 9 HD1 TYR 9 4.136 1.383 -12.485 77 HD2 TYR 9 HD2 TYR 9 2.122 4.956 -13.617 78 HE1 TYR 9 HE1 TYR 9 2.257 0.046 -13.341 79 HE2 TYR 9 HE2 TYR 9 0.237 3.629 -14.474 80 HH TYR 9 HH TYR 9 0.280 0.714 -15.330 81 H TYR 10 H TYR 10 6.987 5.475 -11.741 82 HA TYR 10 HA TYR 10 6.904 7.745 -13.399 83 HB2 TYR 10 HB2 TYR 10 8.938 7.154 -11.243 84 HB3 TYR 10 HB3 TYR 10 8.475 8.738 -11.854 85 HD1 TYR 10 HD1 TYR 10 5.529 8.486 -11.916 86 HD2 TYR 10 HD2 TYR 10 8.341 7.214 -8.987 87 HE1 TYR 10 HE1 TYR 10 3.790 8.649 -10.184 88 HE2 TYR 10 HE2 TYR 10 6.610 7.373 -7.248 89 HH TYR 10 HH TYR 10 3.316 8.453 -8.027 90 H ASP 11 H ASP 11 9.156 5.085 -13.162 91 HA ASP 11 HA ASP 11 11.373 6.146 -14.453 92 HB2 ASP 11 HB2 ASP 11 10.640 3.657 -13.505 93 HB3 ASP 11 HB3 ASP 11 10.799 3.388 -15.239 94 H VAL 12 H VAL 12 8.342 4.984 -15.765 95 HA VAL 12 HA VAL 12 9.307 5.274 -18.504 96 HB VAL 12 HB VAL 12 6.594 4.400 -17.500 97 HG11 VAL 12 HG11 VAL 12 6.541 3.446 -19.907 98 HG12 VAL 12 HG12 VAL 12 6.201 5.159 -19.656 99 HG13 VAL 12 HG13 VAL 12 7.788 4.649 -20.233 100 HG21 VAL 12 HG21 VAL 12 7.512 2.419 -17.101 101 HG22 VAL 12 HG22 VAL 12 7.990 2.310 -18.795 102 HG23 VAL 12 HG23 VAL 12 9.088 3.021 -17.613 103 H MET 13 H MET 13 7.280 6.882 -16.170 104 HA MET 13 HA MET 13 6.404 8.817 -18.193 105 HB2 MET 13 HB2 MET 13 4.757 7.704 -16.594 106 HB3 MET 13 HB3 MET 13 5.484 8.681 -15.326 107 HG2 MET 13 HG2 MET 13 4.964 10.655 -16.951 108 HG3 MET 13 HG3 MET 13 3.806 9.518 -17.638 109 HE1 MET 13 HE1 MET 13 4.102 11.450 -13.639 110 HE2 MET 13 HE2 MET 13 4.164 9.717 -13.316 111 HE3 MET 13 HE3 MET 13 5.327 10.450 -14.422 112 H THR 14 H THR 14 9.130 8.761 -17.247 113 HA THR 14 HA THR 14 9.398 10.996 -15.420 114 HB THR 14 HB THR 14 10.961 8.985 -15.458 115 HG1 THR 14 HG1 THR 14 11.388 11.170 -14.524 116 HG21 THR 14 HG21 THR 14 12.548 8.719 -17.107 117 HG22 THR 14 HG22 THR 14 12.461 10.407 -17.612 118 HG23 THR 14 HG23 THR 14 11.177 9.285 -18.059 119 H VAL 15 H VAL 15 8.780 10.712 -18.648 120 HA VAL 15 HA VAL 15 10.406 12.991 -19.477 121 HB VAL 15 HB VAL 15 8.448 11.403 -21.138 122 HG11 VAL 15 HG11 VAL 15 8.812 13.324 -22.343 123 HG12 VAL 15 HG12 VAL 15 10.444 13.542 -21.709 124 HG13 VAL 15 HG13 VAL 15 10.129 12.311 -22.932 125 HG21 VAL 15 HG21 VAL 15 10.885 10.613 -22.001 126 HG22 VAL 15 HG22 VAL 15 11.201 10.814 -20.278 127 HG23 VAL 15 HG23 VAL 15 9.922 9.727 -20.818 128 H ILE 16 H ILE 16 7.670 12.704 -17.812 129 HA ILE 16 HA ILE 16 6.633 15.244 -18.820 130 HB ILE 16 HB ILE 16 4.727 13.008 -18.173 131 HG12 ILE 16 HG12 ILE 16 5.753 13.836 -20.897 132 HG13 ILE 16 HG13 ILE 16 6.070 12.301 -20.096 133 HG21 ILE 16 HG21 ILE 16 3.175 14.576 -18.400 134 HG22 ILE 16 HG22 ILE 16 4.447 15.777 -18.614 135 HG23 ILE 16 HG23 ILE 16 3.761 14.960 -20.018 136 HD11 ILE 16 HD11 ILE 16 4.392 11.761 -21.573 137 HD12 ILE 16 HD12 ILE 16 3.491 12.068 -20.088 138 HD13 ILE 16 HD13 ILE 16 3.556 13.298 -21.351 139 H SER 17 H SER 17 7.798 13.561 -16.320 140 HA SER 17 HA SER 17 5.993 14.696 -14.308 141 HB2 SER 17 HB2 SER 17 7.703 12.337 -14.435 142 HB3 SER 17 HB3 SER 17 7.947 13.261 -12.953 143 HG SER 17 HG SER 17 6.265 11.734 -12.727 144 HA PRO 18 HA PRO 18 10.214 16.414 -12.793 145 HB2 PRO 18 HB2 PRO 18 12.451 15.740 -14.176 146 HB3 PRO 18 HB3 PRO 18 11.813 14.764 -12.847 147 HG2 PRO 18 HG2 PRO 18 11.503 14.379 -15.800 148 HG3 PRO 18 HG3 PRO 18 11.838 13.173 -14.543 149 HD2 PRO 18 HD2 PRO 18 9.368 13.539 -15.590 150 HD3 PRO 18 HD3 PRO 18 9.627 13.039 -13.906 151 HA PRO 19 HA PRO 19 11.159 18.408 -17.157 152 HB2 PRO 19 HB2 PRO 19 9.290 17.821 -19.036 153 HB3 PRO 19 HB3 PRO 19 10.771 16.879 -18.827 154 HG2 PRO 19 HG2 PRO 19 8.005 16.305 -17.837 155 HG3 PRO 19 HG3 PRO 19 9.182 15.200 -18.571 156 HD2 PRO 19 HD2 PRO 19 8.771 15.325 -15.897 157 HD3 PRO 19 HD3 PRO 19 10.354 14.942 -16.603 158 H GLU 20 H GLU 20 8.129 17.963 -15.581 159 HA GLU 20 HA GLU 20 6.902 20.343 -16.657 160 HB2 GLU 20 HB2 GLU 20 6.059 18.070 -15.121 161 HB3 GLU 20 HB3 GLU 20 5.573 19.543 -14.293 162 HG2 GLU 20 HG2 GLU 20 4.409 20.312 -16.264 163 HG3 GLU 20 HG3 GLU 20 4.964 18.906 -17.170 164 H PHE 21 H PHE 21 9.034 19.571 -14.097 165 HA PHE 21 HA PHE 21 8.399 21.534 -12.210 166 HB2 PHE 21 HB2 PHE 21 10.407 19.606 -12.545 167 HB3 PHE 21 HB3 PHE 21 11.257 21.142 -12.415 168 HD1 PHE 21 HD1 PHE 21 8.406 19.388 -10.761 169 HD2 PHE 21 HD2 PHE 21 11.898 21.778 -10.313 170 HE1 PHE 21 HE1 PHE 21 8.131 19.324 -8.317 171 HE2 PHE 21 HE2 PHE 21 11.630 21.718 -7.868 172 HZ PHE 21 HZ PHE 21 9.745 20.490 -6.867 173 H GLY 22 H GLY 22 9.955 21.760 -15.296 174 HA2 GLY 22 HA2 GLY 22 11.465 24.064 -15.069 175 HA3 GLY 22 HA3 GLY 22 10.607 23.587 -16.527 Start of MODEL 2 1 H1 TRP 1 H TRP 1 2.828 2.063 2.201 2 HA TRP 1 HA TRP 1 4.576 3.794 0.606 3 HB2 TRP 1 HB2 TRP 1 4.823 2.662 3.393 4 HB3 TRP 1 HB3 TRP 1 6.156 3.471 2.574 5 HD1 TRP 1 HD1 TRP 1 3.690 5.546 1.304 6 HE1 TRP 1 HE1 TRP 1 3.115 7.549 2.815 7 HE3 TRP 1 HE3 TRP 1 5.666 3.841 5.700 8 HZ2 TRP 1 HZ2 TRP 1 3.454 8.306 5.513 9 HZ3 TRP 1 HZ3 TRP 1 5.499 5.266 7.699 10 HH2 TRP 1 HH2 TRP 1 4.417 7.452 7.605 11 H ARG 2 H ARG 2 4.277 1.832 -0.959 12 HA ARG 2 HA ARG 2 6.476 -0.062 -0.446 13 HB2 ARG 2 HB2 ARG 2 5.255 -1.604 -2.017 14 HB3 ARG 2 HB3 ARG 2 4.449 -1.315 -0.482 15 HG2 ARG 2 HG2 ARG 2 2.804 0.015 -1.453 16 HG3 ARG 2 HG3 ARG 2 3.760 0.293 -2.910 17 HD2 ARG 2 HD2 ARG 2 3.318 -1.829 -3.755 18 HD3 ARG 2 HD3 ARG 2 2.869 -2.468 -2.174 19 HE ARG 2 HE ARG 2 1.118 -0.401 -3.145 20 HH11 ARG 2 HH11 ARG 2 1.800 -3.814 -3.119 21 HH12 ARG 2 HH12 ARG 2 0.170 -4.276 -3.481 22 HH21 ARG 2 HH21 ARG 2 -1.032 -0.995 -3.622 23 HH22 ARG 2 HH22 ARG 2 -1.440 -2.672 -3.768 24 HA PRO 3 HA PRO 3 7.494 2.585 -4.150 25 HB2 PRO 3 HB2 PRO 3 10.010 3.198 -3.333 26 HB3 PRO 3 HB3 PRO 3 8.592 4.145 -2.869 27 HG2 PRO 3 HG2 PRO 3 10.053 2.039 -1.322 28 HG3 PRO 3 HG3 PRO 3 9.422 3.601 -0.766 29 HD2 PRO 3 HD2 PRO 3 8.127 1.265 -0.322 30 HD3 PRO 3 HD3 PRO 3 7.270 2.801 -0.562 31 H TYR 4 H TYR 4 7.358 0.348 -5.062 32 HA TYR 4 HA TYR 4 10.063 -0.635 -5.647 33 HB2 TYR 4 HB2 TYR 4 7.704 -2.462 -5.171 34 HB3 TYR 4 HB3 TYR 4 9.377 -2.932 -5.452 35 HD1 TYR 4 HD2 TYR 4 11.110 -2.103 -3.697 36 HD2 TYR 4 HD1 TYR 4 6.917 -2.264 -2.994 37 HE1 TYR 4 HE2 TYR 4 11.522 -2.102 -1.273 38 HE2 TYR 4 HE1 TYR 4 7.318 -2.262 -0.567 39 HH TYR 4 HH TYR 4 10.485 -2.656 0.772 40 H LEU 5 H LEU 5 6.686 -1.338 -6.567 41 HA LEU 5 HA LEU 5 7.451 -1.670 -9.330 42 HB2 LEU 5 HB2 LEU 5 5.458 -2.684 -9.612 43 HB3 LEU 5 HB3 LEU 5 5.539 -2.811 -7.856 44 HG LEU 5 HG LEU 5 4.255 -0.488 -8.015 45 HD11 LEU 5 HD11 LEU 5 2.889 -1.782 -10.284 46 HD12 LEU 5 HD12 LEU 5 4.417 -0.982 -10.651 47 HD13 LEU 5 HD13 LEU 5 3.102 -0.072 -9.907 48 HD21 LEU 5 HD21 LEU 5 2.812 -3.093 -8.459 49 HD22 LEU 5 HD22 LEU 5 2.239 -1.671 -7.587 50 HD23 LEU 5 HD23 LEU 5 3.555 -2.641 -6.924 51 H GLN 6 H GLN 6 6.176 0.837 -7.326 52 HA GLN 6 HA GLN 6 4.828 2.427 -9.159 53 HB2 GLN 6 HB2 GLN 6 5.682 2.672 -6.511 54 HB3 GLN 6 HB3 GLN 6 6.432 4.024 -7.348 55 HG2 GLN 6 HG2 GLN 6 4.473 5.002 -6.787 56 HG3 GLN 6 HG3 GLN 6 3.990 4.294 -8.328 57 HE21 GLN 6 HE21 GLN 6 3.811 4.002 -4.856 58 HE22 GLN 6 HE22 GLN 6 2.453 2.935 -4.818 59 H THR 7 H THR 7 8.275 2.560 -8.267 60 HA THR 7 HA THR 7 8.996 4.572 -10.084 61 HB THR 7 HB THR 7 10.444 3.905 -8.217 62 HG1 THR 7 HG1 THR 7 12.387 4.004 -9.411 63 HG21 THR 7 HG21 THR 7 9.972 1.331 -9.031 64 HG22 THR 7 HG22 THR 7 11.224 1.822 -7.889 65 HG23 THR 7 HG23 THR 7 11.621 1.604 -9.593 66 H GLU 8 H GLU 8 8.659 1.105 -10.454 67 HA GLU 8 HA GLU 8 10.062 0.670 -12.799 68 HB2 GLU 8 HB2 GLU 8 8.128 -0.729 -11.245 69 HB3 GLU 8 HB3 GLU 8 7.637 -0.824 -12.931 70 HG2 GLU 8 HG2 GLU 8 9.352 -2.158 -13.497 71 HG3 GLU 8 HG3 GLU 8 10.483 -1.344 -12.417 72 H TYR 9 H TYR 9 7.019 2.277 -12.305 73 HA TYR 9 HA TYR 9 6.465 2.352 -15.171 74 HB2 TYR 9 HB2 TYR 9 4.900 2.735 -12.714 75 HB3 TYR 9 HB3 TYR 9 4.514 3.875 -13.998 76 HD1 TYR 9 HD2 TYR 9 4.542 0.326 -13.038 77 HD2 TYR 9 HD1 TYR 9 3.419 3.151 -16.014 78 HE1 TYR 9 HE2 TYR 9 3.147 -1.383 -14.125 79 HE2 TYR 9 HE1 TYR 9 2.020 1.451 -17.109 80 HH TYR 9 HH TYR 9 0.964 -0.599 -16.711 81 H TYR 10 H TYR 10 7.092 4.566 -12.473 82 HA TYR 10 HA TYR 10 6.905 6.977 -13.844 83 HB2 TYR 10 HB2 TYR 10 8.769 6.280 -11.565 84 HB3 TYR 10 HB3 TYR 10 8.337 7.909 -12.072 85 HD1 TYR 10 HD2 TYR 10 5.430 7.611 -12.527 86 HD2 TYR 10 HD1 TYR 10 7.898 6.101 -9.408 87 HE1 TYR 10 HE2 TYR 10 3.488 7.570 -11.018 88 HE2 TYR 10 HE1 TYR 10 5.963 6.054 -7.890 89 HH TYR 10 HH TYR 10 2.982 7.562 -8.668 90 H ASP 11 H ASP 11 9.454 4.600 -13.796 91 HA ASP 11 HA ASP 11 11.588 6.123 -14.751 92 HB2 ASP 11 HB2 ASP 11 12.034 3.917 -13.974 93 HB3 ASP 11 HB3 ASP 11 10.890 3.210 -15.111 94 H VAL 12 H VAL 12 8.813 4.796 -16.396 95 HA VAL 12 HA VAL 12 9.904 5.447 -19.020 96 HB VAL 12 HB VAL 12 7.202 4.296 -18.314 97 HG11 VAL 12 HG11 VAL 12 6.828 5.031 -20.429 98 HG12 VAL 12 HG12 VAL 12 8.539 5.013 -20.857 99 HG13 VAL 12 HG13 VAL 12 7.621 3.507 -20.825 100 HG21 VAL 12 HG21 VAL 12 8.166 2.150 -19.060 101 HG22 VAL 12 HG22 VAL 12 9.743 2.928 -19.194 102 HG23 VAL 12 HG23 VAL 12 8.961 2.785 -17.620 103 H MET 13 H MET 13 7.597 6.641 -16.692 104 HA MET 13 HA MET 13 6.706 8.709 -18.574 105 HB2 MET 13 HB2 MET 13 5.048 7.305 -17.236 106 HB3 MET 13 HB3 MET 13 5.595 8.192 -15.820 107 HG2 MET 13 HG2 MET 13 5.029 10.284 -17.274 108 HG3 MET 13 HG3 MET 13 4.022 9.142 -18.161 109 HE1 MET 13 HE1 MET 13 5.228 9.834 -14.757 110 HE2 MET 13 HE2 MET 13 3.877 10.669 -13.990 111 HE3 MET 13 HE3 MET 13 4.046 8.921 -13.818 112 H THR 14 H THR 14 9.350 8.764 -17.424 113 HA THR 14 HA THR 14 9.293 10.802 -15.362 114 HB THR 14 HB THR 14 11.020 8.932 -15.482 115 HG1 THR 14 HG1 THR 14 11.196 10.987 -14.264 116 HG21 THR 14 HG21 THR 14 11.429 9.396 -17.975 117 HG22 THR 14 HG22 THR 14 12.836 9.087 -16.958 118 HG23 THR 14 HG23 THR 14 12.430 10.738 -17.425 119 H VAL 15 H VAL 15 8.939 10.820 -18.643 120 HA VAL 15 HA VAL 15 10.428 13.285 -19.111 121 HB VAL 15 HB VAL 15 8.704 11.754 -21.060 122 HG11 VAL 15 HG11 VAL 15 10.562 14.077 -21.268 123 HG12 VAL 15 HG12 VAL 15 10.413 12.967 -22.632 124 HG13 VAL 15 HG13 VAL 15 8.991 13.819 -22.027 125 HG21 VAL 15 HG21 VAL 15 10.280 10.162 -20.812 126 HG22 VAL 15 HG22 VAL 15 11.243 11.235 -21.829 127 HG23 VAL 15 HG23 VAL 15 11.436 11.272 -20.076 128 H ILE 16 H ILE 16 7.610 12.622 -17.696 129 HA ILE 16 HA ILE 16 6.459 15.187 -18.493 130 HB ILE 16 HB ILE 16 4.684 12.770 -18.243 131 HG12 ILE 16 HG12 ILE 16 5.833 13.969 -20.773 132 HG13 ILE 16 HG13 ILE 16 6.206 12.377 -20.122 133 HG21 ILE 16 HG21 ILE 16 3.710 14.855 -19.935 134 HG22 ILE 16 HG22 ILE 16 3.038 14.244 -18.424 135 HG23 ILE 16 HG23 ILE 16 4.228 15.545 -18.397 136 HD11 ILE 16 HD11 ILE 16 4.669 11.801 -21.686 137 HD12 ILE 16 HD12 ILE 16 3.587 12.089 -20.322 138 HD13 ILE 16 HD13 ILE 16 3.799 13.329 -21.558 139 H SER 17 H SER 17 7.576 13.316 -16.112 140 HA SER 17 HA SER 17 5.553 14.078 -14.131 141 HB2 SER 17 HB2 SER 17 7.474 11.891 -14.377 142 HB3 SER 17 HB3 SER 17 7.513 12.652 -12.787 143 HG SER 17 HG SER 17 5.027 12.431 -13.167 144 HA PRO 18 HA PRO 18 9.499 15.928 -12.117 145 HB2 PRO 18 HB2 PRO 18 11.878 15.578 -13.378 146 HB3 PRO 18 HB3 PRO 18 11.228 14.418 -12.214 147 HG2 PRO 18 HG2 PRO 18 11.164 14.338 -15.206 148 HG3 PRO 18 HG3 PRO 18 11.506 13.029 -14.059 149 HD2 PRO 18 HD2 PRO 18 9.095 13.325 -15.257 150 HD3 PRO 18 HD3 PRO 18 9.273 12.663 -13.619 151 HA PRO 19 HA PRO 19 10.590 18.456 -16.159 152 HB2 PRO 19 HB2 PRO 19 8.915 17.942 -18.234 153 HB3 PRO 19 HB3 PRO 19 10.450 17.095 -18.005 154 HG2 PRO 19 HG2 PRO 19 7.676 16.212 -17.307 155 HG3 PRO 19 HG3 PRO 19 8.990 15.285 -18.054 156 HD2 PRO 19 HD2 PRO 19 8.378 15.084 -15.424 157 HD3 PRO 19 HD3 PRO 19 10.034 14.899 -16.035 158 H GLU 20 H GLU 20 7.500 17.616 -14.887 159 HA GLU 20 HA GLU 20 6.163 20.004 -15.805 160 HB2 GLU 20 HB2 GLU 20 5.400 17.519 -14.587 161 HB3 GLU 20 HB3 GLU 20 4.737 18.851 -13.652 162 HG2 GLU 20 HG2 GLU 20 3.565 19.702 -15.524 163 HG3 GLU 20 HG3 GLU 20 4.421 18.630 -16.631 164 H PHE 21 H PHE 21 8.151 19.106 -13.167 165 HA PHE 21 HA PHE 21 7.227 20.790 -11.142 166 HB2 PHE 21 HB2 PHE 21 9.412 19.079 -11.523 167 HB3 PHE 21 HB3 PHE 21 10.118 20.654 -11.176 168 HD1 PHE 21 HD1 PHE 21 8.237 21.812 -9.288 169 HD2 PHE 21 HD2 PHE 21 9.658 17.813 -9.611 170 HE1 PHE 21 HE1 PHE 21 7.817 21.472 -6.887 171 HE2 PHE 21 HE2 PHE 21 9.239 17.466 -7.212 172 HZ PHE 21 HZ PHE 21 8.317 19.296 -5.847 173 H GLY 22 H GLY 22 9.246 21.445 -13.939 174 HA2 GLY 22 HA2 GLY 22 10.092 23.401 -14.797 175 HA3 GLY 22 HA3 GLY 22 8.644 24.136 -14.126 Start of MODEL 3 1 H1 TRP 1 H TRP 1 3.947 4.628 0.237 2 HA TRP 1 HA TRP 1 4.949 3.161 2.306 3 HB2 TRP 1 HB2 TRP 1 2.865 2.296 0.291 4 HB3 TRP 1 HB3 TRP 1 3.146 1.506 1.840 5 HD1 TRP 1 HD1 TRP 1 3.595 4.718 3.046 6 HE1 TRP 1 HE1 TRP 1 1.422 5.885 3.783 7 HE3 TRP 1 HE3 TRP 1 0.216 1.763 0.599 8 HZ2 TRP 1 HZ2 TRP 1 -1.356 5.591 3.380 9 HZ3 TRP 1 HZ3 TRP 1 -2.180 2.273 0.827 10 HH2 TRP 1 HH2 TRP 1 -2.948 4.148 2.190 11 H ARG 2 H ARG 2 4.390 1.636 -0.867 12 HA ARG 2 HA ARG 2 6.780 -0.015 -0.378 13 HB2 ARG 2 HB2 ARG 2 4.350 -0.697 -2.043 14 HB3 ARG 2 HB3 ARG 2 5.731 -1.745 -1.748 15 HG2 ARG 2 HG2 ARG 2 5.050 -2.291 0.339 16 HG3 ARG 2 HG3 ARG 2 4.313 -0.715 0.630 17 HD2 ARG 2 HD2 ARG 2 2.326 -1.314 -0.323 18 HD3 ARG 2 HD3 ARG 2 3.079 -2.464 -1.427 19 HE ARG 2 HE ARG 2 2.024 -3.016 1.165 20 HH11 ARG 2 HH11 ARG 2 4.476 -3.954 -1.122 21 HH12 ARG 2 HH12 ARG 2 4.603 -5.573 -0.520 22 HH21 ARG 2 HH21 ARG 2 2.182 -5.146 1.967 23 HH22 ARG 2 HH22 ARG 2 3.297 -6.251 1.237 24 HA PRO 3 HA PRO 3 7.641 2.645 -4.090 25 HB2 PRO 3 HB2 PRO 3 10.165 3.296 -3.330 26 HB3 PRO 3 HB3 PRO 3 8.742 4.207 -2.813 27 HG2 PRO 3 HG2 PRO 3 10.286 2.107 -1.341 28 HG3 PRO 3 HG3 PRO 3 9.639 3.646 -0.742 29 HD2 PRO 3 HD2 PRO 3 8.404 1.277 -0.302 30 HD3 PRO 3 HD3 PRO 3 7.510 2.799 -0.494 31 H TYR 4 H TYR 4 7.525 0.423 -5.037 32 HA TYR 4 HA TYR 4 10.230 -0.487 -5.723 33 HB2 TYR 4 HB2 TYR 4 7.945 -2.386 -5.177 34 HB3 TYR 4 HB3 TYR 4 9.620 -2.804 -5.522 35 HD1 TYR 4 HD2 TYR 4 11.290 -1.421 -3.801 36 HD2 TYR 4 HD1 TYR 4 7.328 -2.745 -2.993 37 HE1 TYR 4 HE2 TYR 4 11.789 -1.425 -1.393 38 HE2 TYR 4 HE1 TYR 4 7.816 -2.752 -0.583 39 HH TYR 4 HH TYR 4 10.859 -1.519 0.679 40 H LEU 5 H LEU 5 6.839 -1.268 -6.519 41 HA LEU 5 HA LEU 5 7.506 -1.558 -9.313 42 HB2 LEU 5 HB2 LEU 5 5.534 -2.626 -9.528 43 HB3 LEU 5 HB3 LEU 5 5.686 -2.766 -7.778 44 HG LEU 5 HG LEU 5 4.331 -0.480 -7.864 45 HD11 LEU 5 HD11 LEU 5 4.405 -0.943 -10.508 46 HD12 LEU 5 HD12 LEU 5 3.094 -0.080 -9.705 47 HD13 LEU 5 HD13 LEU 5 2.916 -1.792 -10.092 48 HD21 LEU 5 HD21 LEU 5 2.944 -3.119 -8.281 49 HD22 LEU 5 HD22 LEU 5 2.370 -1.723 -7.367 50 HD23 LEU 5 HD23 LEU 5 3.737 -2.666 -6.772 51 H GLN 6 H GLN 6 6.239 0.894 -7.236 52 HA GLN 6 HA GLN 6 4.782 2.459 -9.010 53 HB2 GLN 6 HB2 GLN 6 6.225 2.920 -6.472 54 HB3 GLN 6 HB3 GLN 6 5.933 4.352 -7.451 55 HG2 GLN 6 HG2 GLN 6 3.493 3.399 -7.551 56 HG3 GLN 6 HG3 GLN 6 3.995 2.559 -6.085 57 HE21 GLN 6 HE21 GLN 6 2.051 4.084 -5.544 58 HE22 GLN 6 HE22 GLN 6 2.505 5.602 -4.856 59 H THR 7 H THR 7 8.245 2.703 -8.206 60 HA THR 7 HA THR 7 8.855 4.756 -10.014 61 HB THR 7 HB THR 7 10.382 4.112 -8.209 62 HG1 THR 7 HG1 THR 7 11.599 5.131 -9.647 63 HG21 THR 7 HG21 THR 7 11.566 1.843 -9.629 64 HG22 THR 7 HG22 THR 7 9.940 1.532 -9.021 65 HG23 THR 7 HG23 THR 7 11.213 2.046 -7.914 66 H GLU 8 H GLU 8 8.618 1.284 -10.432 67 HA GLU 8 HA GLU 8 9.955 0.939 -12.831 68 HB2 GLU 8 HB2 GLU 8 8.099 -0.547 -11.244 69 HB3 GLU 8 HB3 GLU 8 7.606 -0.656 -12.928 70 HG2 GLU 8 HG2 GLU 8 9.213 -2.107 -13.367 71 HG3 GLU 8 HG3 GLU 8 10.440 -1.023 -12.714 72 H TYR 9 H TYR 9 6.882 2.432 -12.203 73 HA TYR 9 HA TYR 9 6.176 2.494 -15.028 74 HB2 TYR 9 HB2 TYR 9 4.758 2.827 -12.502 75 HB3 TYR 9 HB3 TYR 9 4.333 4.066 -13.677 76 HD1 TYR 9 HD1 TYR 9 3.993 3.012 -16.161 77 HD2 TYR 9 HD2 TYR 9 3.409 0.966 -12.477 78 HE1 TYR 9 HE1 TYR 9 2.479 1.433 -17.285 79 HE2 TYR 9 HE2 TYR 9 1.894 -0.620 -13.591 80 HH TYR 9 HH TYR 9 0.449 -0.676 -15.608 81 H TYR 10 H TYR 10 6.960 4.756 -12.411 82 HA TYR 10 HA TYR 10 6.703 7.134 -13.844 83 HB2 TYR 10 HB2 TYR 10 8.649 6.528 -11.609 84 HB3 TYR 10 HB3 TYR 10 8.148 8.131 -12.135 85 HD1 TYR 10 HD1 TYR 10 5.234 7.725 -12.476 86 HD2 TYR 10 HD2 TYR 10 7.867 6.387 -9.413 87 HE1 TYR 10 HE1 TYR 10 3.351 7.659 -10.896 88 HE2 TYR 10 HE2 TYR 10 5.991 6.316 -7.824 89 HH TYR 10 HH TYR 10 2.957 7.723 -8.499 90 H ASP 11 H ASP 11 9.298 4.795 -13.739 91 HA ASP 11 HA ASP 11 11.404 6.257 -14.782 92 HB2 ASP 11 HB2 ASP 11 10.760 3.485 -14.416 93 HB3 ASP 11 HB3 ASP 11 11.503 3.702 -15.998 94 H VAL 12 H VAL 12 8.660 4.799 -16.434 95 HA VAL 12 HA VAL 12 9.678 5.492 -19.055 96 HB VAL 12 HB VAL 12 6.953 4.436 -18.289 97 HG11 VAL 12 HG11 VAL 12 8.322 4.941 -20.896 98 HG12 VAL 12 HG12 VAL 12 7.141 3.637 -20.758 99 HG13 VAL 12 HG13 VAL 12 6.665 5.300 -20.412 100 HG21 VAL 12 HG21 VAL 12 9.492 3.155 -18.279 101 HG22 VAL 12 HG22 VAL 12 7.903 2.455 -17.967 102 HG23 VAL 12 HG23 VAL 12 8.541 2.496 -19.610 103 H MET 13 H MET 13 7.503 6.804 -16.677 104 HA MET 13 HA MET 13 6.606 8.866 -18.561 105 HB2 MET 13 HB2 MET 13 4.957 7.550 -17.128 106 HB3 MET 13 HB3 MET 13 5.594 8.443 -15.753 107 HG2 MET 13 HG2 MET 13 5.042 10.526 -17.226 108 HG3 MET 13 HG3 MET 13 3.959 9.405 -18.046 109 HE1 MET 13 HE1 MET 13 5.333 10.117 -14.711 110 HE2 MET 13 HE2 MET 13 4.047 11.014 -13.904 111 HE3 MET 13 HE3 MET 13 4.161 9.265 -13.705 112 H THR 14 H THR 14 9.296 8.848 -17.525 113 HA THR 14 HA THR 14 9.399 10.925 -15.504 114 HB THR 14 HB THR 14 11.053 8.992 -15.658 115 HG1 THR 14 HG1 THR 14 12.438 11.443 -15.709 116 HG21 THR 14 HG21 THR 14 11.394 9.307 -18.148 117 HG22 THR 14 HG22 THR 14 12.862 9.124 -17.188 118 HG23 THR 14 HG23 THR 14 12.366 10.722 -17.746 119 H VAL 15 H VAL 15 8.907 10.894 -18.767 120 HA VAL 15 HA VAL 15 10.461 13.294 -19.347 121 HB VAL 15 HB VAL 15 8.602 11.790 -21.190 122 HG11 VAL 15 HG11 VAL 15 10.286 12.910 -22.856 123 HG12 VAL 15 HG12 VAL 15 8.922 13.825 -22.211 124 HG13 VAL 15 HG13 VAL 15 10.532 14.039 -21.524 125 HG21 VAL 15 HG21 VAL 15 11.595 11.522 -20.917 126 HG22 VAL 15 HG22 VAL 15 10.412 10.343 -20.349 127 HG23 VAL 15 HG23 VAL 15 10.566 10.677 -22.074 128 H ILE 16 H ILE 16 7.685 12.761 -17.802 129 HA ILE 16 HA ILE 16 6.592 15.350 -18.602 130 HB ILE 16 HB ILE 16 4.745 13.004 -18.229 131 HG12 ILE 16 HG12 ILE 16 5.827 14.113 -20.829 132 HG13 ILE 16 HG13 ILE 16 6.170 12.521 -20.162 133 HG21 ILE 16 HG21 ILE 16 3.818 15.136 -19.920 134 HG22 ILE 16 HG22 ILE 16 3.125 14.510 -18.425 135 HG23 ILE 16 HG23 ILE 16 4.358 15.770 -18.366 136 HD11 ILE 16 HD11 ILE 16 3.771 11.971 -20.360 137 HD12 ILE 16 HD12 ILE 16 3.513 13.531 -21.141 138 HD13 ILE 16 HD13 ILE 16 4.543 12.321 -21.906 139 H SER 17 H SER 17 7.743 13.485 -16.232 140 HA SER 17 HA SER 17 5.835 14.357 -14.185 141 HB2 SER 17 HB2 SER 17 7.664 12.098 -14.466 142 HB3 SER 17 HB3 SER 17 7.798 12.887 -12.895 143 HG SER 17 HG SER 17 5.292 12.749 -13.165 144 HA PRO 18 HA PRO 18 9.926 16.101 -12.376 145 HB2 PRO 18 HB2 PRO 18 12.235 15.641 -13.728 146 HB3 PRO 18 HB3 PRO 18 11.594 14.527 -12.515 147 HG2 PRO 18 HG2 PRO 18 11.400 14.394 -15.499 148 HG3 PRO 18 HG3 PRO 18 11.744 13.095 -14.341 149 HD2 PRO 18 HD2 PRO 18 9.296 13.455 -15.442 150 HD3 PRO 18 HD3 PRO 18 9.520 12.818 -13.800 151 HA PRO 19 HA PRO 19 10.932 18.511 -16.511 152 HB2 PRO 19 HB2 PRO 19 9.153 18.019 -18.503 153 HB3 PRO 19 HB3 PRO 19 10.665 17.122 -18.322 154 HG2 PRO 19 HG2 PRO 19 7.894 16.353 -17.489 155 HG3 PRO 19 HG3 PRO 19 9.142 15.365 -18.272 156 HD2 PRO 19 HD2 PRO 19 8.635 15.236 -15.615 157 HD3 PRO 19 HD3 PRO 19 10.257 14.980 -16.292 158 H GLU 20 H GLU 20 7.871 17.808 -15.093 159 HA GLU 20 HA GLU 20 6.582 20.225 -16.003 160 HB2 GLU 20 HB2 GLU 20 5.784 17.792 -14.704 161 HB3 GLU 20 HB3 GLU 20 5.208 19.165 -13.769 162 HG2 GLU 20 HG2 GLU 20 4.108 20.068 -15.740 163 HG3 GLU 20 HG3 GLU 20 4.713 18.723 -16.705 164 H PHE 21 H PHE 21 8.657 19.313 -13.443 165 HA PHE 21 HA PHE 21 7.874 21.073 -11.416 166 HB2 PHE 21 HB2 PHE 21 9.974 19.264 -11.844 167 HB3 PHE 21 HB3 PHE 21 10.752 20.814 -11.546 168 HD1 PHE 21 HD1 PHE 21 8.999 22.079 -9.613 169 HD2 PHE 21 HD2 PHE 21 10.219 18.013 -9.924 170 HE1 PHE 21 HE1 PHE 21 8.646 21.791 -7.195 171 HE2 PHE 21 HE2 PHE 21 9.867 17.719 -7.507 172 HZ PHE 21 HZ PHE 21 9.079 19.609 -6.139 173 H GLY 22 H GLY 22 9.523 21.634 -14.409 174 HA2 GLY 22 HA2 GLY 22 10.924 23.968 -13.924 175 HA3 GLY 22 HA3 GLY 22 10.141 23.586 -15.450 Start of MODEL 4 1 H1 TRP 1 H TRP 1 3.631 4.140 -1.565 2 HA TRP 1 HA TRP 1 5.244 5.328 0.316 3 HB2 TRP 1 HB2 TRP 1 3.465 3.225 1.568 4 HB3 TRP 1 HB3 TRP 1 4.903 3.905 2.325 5 HD1 TRP 1 HD1 TRP 1 3.816 6.892 0.942 6 HE1 TRP 1 HE1 TRP 1 2.160 8.196 2.418 7 HE3 TRP 1 HE3 TRP 1 2.352 3.111 4.055 8 HZ2 TRP 1 HZ2 TRP 1 0.458 7.690 4.612 9 HZ3 TRP 1 HZ3 TRP 1 0.706 3.604 5.817 10 HH2 TRP 1 HH2 TRP 1 -0.219 5.847 6.088 11 H ARG 2 H ARG 2 6.844 4.597 -1.036 12 HA ARG 2 HA ARG 2 8.351 3.173 -1.980 13 HB2 ARG 2 HB2 ARG 2 7.711 1.494 0.453 14 HB3 ARG 2 HB3 ARG 2 9.152 1.364 -0.547 15 HG2 ARG 2 HG2 ARG 2 8.534 3.983 0.717 16 HG3 ARG 2 HG3 ARG 2 9.176 2.682 1.722 17 HD2 ARG 2 HD2 ARG 2 10.663 2.848 -0.723 18 HD3 ARG 2 HD3 ARG 2 10.596 4.435 0.041 19 HE ARG 2 HE ARG 2 12.108 2.200 0.910 20 HH11 ARG 2 HH11 ARG 2 10.261 4.907 2.087 21 HH12 ARG 2 HH12 ARG 2 11.134 5.021 3.579 22 HH21 ARG 2 HH21 ARG 2 13.264 2.340 2.871 23 HH22 ARG 2 HH22 ARG 2 12.843 3.561 4.024 24 HA PRO 3 HA PRO 3 4.942 0.485 -3.692 25 HB2 PRO 3 HB2 PRO 3 5.163 1.393 -6.241 26 HB3 PRO 3 HB3 PRO 3 4.135 2.169 -5.030 27 HG2 PRO 3 HG2 PRO 3 6.879 2.930 -5.952 28 HG3 PRO 3 HG3 PRO 3 5.477 3.969 -5.634 29 HD2 PRO 3 HD2 PRO 3 7.506 3.678 -3.864 30 HD3 PRO 3 HD3 PRO 3 5.828 3.959 -3.356 31 H TYR 4 H TYR 4 5.234 -0.674 -6.041 32 HA TYR 4 HA TYR 4 8.007 -1.638 -6.207 33 HB2 TYR 4 HB2 TYR 4 5.585 -3.441 -6.339 34 HB3 TYR 4 HB3 TYR 4 7.276 -3.929 -6.350 35 HD1 TYR 4 HD1 TYR 4 8.639 -3.689 -4.278 36 HD2 TYR 4 HD2 TYR 4 4.438 -3.013 -4.299 37 HE1 TYR 4 HE1 TYR 4 8.599 -3.901 -1.828 38 HE2 TYR 4 HE2 TYR 4 4.387 -3.222 -1.849 39 HH TYR 4 HH TYR 4 7.218 -3.234 0.056 40 H LEU 5 H LEU 5 4.869 -2.204 -7.813 41 HA LEU 5 HA LEU 5 6.146 -2.326 -10.396 42 HB2 LEU 5 HB2 LEU 5 4.233 -3.260 -11.136 43 HB3 LEU 5 HB3 LEU 5 3.973 -3.528 -9.414 44 HG LEU 5 HG LEU 5 2.769 -1.167 -9.622 45 HD11 LEU 5 HD11 LEU 5 2.003 -0.574 -11.658 46 HD12 LEU 5 HD12 LEU 5 1.855 -2.242 -12.211 47 HD13 LEU 5 HD13 LEU 5 3.431 -1.451 -12.209 48 HD21 LEU 5 HD21 LEU 5 0.701 -2.323 -9.670 49 HD22 LEU 5 HD22 LEU 5 1.856 -3.393 -8.875 50 HD23 LEU 5 HD23 LEU 5 1.400 -3.680 -10.555 51 H GLN 6 H GLN 6 4.535 0.048 -8.472 52 HA GLN 6 HA GLN 6 3.589 1.813 -10.397 53 HB2 GLN 6 HB2 GLN 6 3.805 1.816 -7.646 54 HB3 GLN 6 HB3 GLN 6 4.850 3.148 -8.122 55 HG2 GLN 6 HG2 GLN 6 2.841 4.213 -7.869 56 HG3 GLN 6 HG3 GLN 6 2.826 3.852 -9.594 57 HE21 GLN 6 HE21 GLN 6 0.474 4.248 -9.082 58 HE22 GLN 6 HE22 GLN 6 -0.470 2.865 -8.656 59 H THR 7 H THR 7 6.779 1.828 -8.807 60 HA THR 7 HA THR 7 7.873 3.950 -10.260 61 HB THR 7 HB THR 7 8.917 3.057 -8.222 62 HG1 THR 7 HG1 THR 7 10.842 2.691 -10.247 63 HG21 THR 7 HG21 THR 7 10.330 0.877 -9.566 64 HG22 THR 7 HG22 THR 7 8.598 0.593 -9.387 65 HG23 THR 7 HG23 THR 7 9.588 0.930 -7.967 66 H GLU 8 H GLU 8 7.556 0.550 -11.034 67 HA GLU 8 HA GLU 8 9.389 0.315 -13.106 68 HB2 GLU 8 HB2 GLU 8 7.214 -1.204 -12.068 69 HB3 GLU 8 HB3 GLU 8 7.040 -1.137 -13.816 70 HG2 GLU 8 HG2 GLU 8 9.653 -1.713 -13.646 71 HG3 GLU 8 HG3 GLU 8 9.079 -2.472 -12.162 72 H TYR 9 H TYR 9 6.344 1.961 -13.005 73 HA TYR 9 HA TYR 9 6.274 2.272 -15.908 74 HB2 TYR 9 HB2 TYR 9 4.324 2.457 -13.735 75 HB3 TYR 9 HB3 TYR 9 4.192 3.775 -14.894 76 HD1 TYR 9 HD2 TYR 9 4.390 2.898 -17.451 77 HD2 TYR 9 HD1 TYR 9 3.008 0.614 -14.138 78 HE1 TYR 9 HE2 TYR 9 3.153 1.429 -18.987 79 HE2 TYR 9 HE1 TYR 9 1.768 -0.862 -15.665 80 HH TYR 9 HH TYR 9 2.189 -1.440 -18.410 81 H TYR 10 H TYR 10 6.588 4.207 -12.964 82 HA TYR 10 HA TYR 10 6.664 6.735 -14.171 83 HB2 TYR 10 HB2 TYR 10 8.046 5.827 -11.638 84 HB3 TYR 10 HB3 TYR 10 7.732 7.497 -12.096 85 HD1 TYR 10 HD1 TYR 10 4.957 7.287 -13.111 86 HD2 TYR 10 HD2 TYR 10 6.786 5.530 -9.695 87 HE1 TYR 10 HE1 TYR 10 2.766 7.182 -12.000 88 HE2 TYR 10 HE2 TYR 10 4.599 5.420 -8.574 89 HH TYR 10 HH TYR 10 1.718 5.719 -10.130 90 H ASP 11 H ASP 11 9.045 4.231 -13.927 91 HA ASP 11 HA ASP 11 11.402 5.680 -14.256 92 HB2 ASP 11 HB2 ASP 11 10.658 2.972 -14.236 93 HB3 ASP 11 HB3 ASP 11 11.480 3.223 -15.774 94 H VAL 12 H VAL 12 9.094 4.505 -16.662 95 HA VAL 12 HA VAL 12 10.657 5.561 -18.860 96 HB VAL 12 HB VAL 12 7.869 4.396 -18.886 97 HG11 VAL 12 HG11 VAL 12 8.751 3.951 -21.344 98 HG12 VAL 12 HG12 VAL 12 7.956 5.463 -20.901 99 HG13 VAL 12 HG13 VAL 12 9.716 5.385 -20.992 100 HG21 VAL 12 HG21 VAL 12 10.494 3.065 -19.544 101 HG22 VAL 12 HG22 VAL 12 9.583 2.821 -18.054 102 HG23 VAL 12 HG23 VAL 12 8.894 2.326 -19.600 103 H MET 13 H MET 13 7.993 6.544 -16.864 104 HA MET 13 HA MET 13 7.447 8.831 -18.620 105 HB2 MET 13 HB2 MET 13 5.574 7.335 -17.749 106 HB3 MET 13 HB3 MET 13 5.882 8.041 -16.168 107 HG2 MET 13 HG2 MET 13 5.591 10.299 -17.447 108 HG3 MET 13 HG3 MET 13 4.734 9.292 -18.611 109 HE1 MET 13 HE1 MET 13 3.907 10.342 -14.369 110 HE2 MET 13 HE2 MET 13 4.040 8.584 -14.382 111 HE3 MET 13 HE3 MET 13 5.364 9.573 -15.000 112 H THR 14 H THR 14 9.861 8.691 -17.056 113 HA THR 14 HA THR 14 9.475 10.484 -14.809 114 HB THR 14 HB THR 14 11.178 8.593 -14.844 115 HG1 THR 14 HG1 THR 14 12.502 11.014 -14.310 116 HG21 THR 14 HG21 THR 14 13.213 8.841 -15.981 117 HG22 THR 14 HG22 THR 14 12.917 10.546 -16.324 118 HG23 THR 14 HG23 THR 14 11.999 9.303 -17.174 119 H VAL 15 H VAL 15 9.676 10.878 -18.078 120 HA VAL 15 HA VAL 15 11.237 13.344 -17.998 121 HB VAL 15 HB VAL 15 9.890 12.075 -20.383 122 HG11 VAL 15 HG11 VAL 15 10.356 14.228 -21.041 123 HG12 VAL 15 HG12 VAL 15 11.770 14.359 -19.993 124 HG13 VAL 15 HG13 VAL 15 11.856 13.412 -21.479 125 HG21 VAL 15 HG21 VAL 15 12.205 11.229 -18.910 126 HG22 VAL 15 HG22 VAL 15 11.439 10.481 -20.312 127 HG23 VAL 15 HG23 VAL 15 12.669 11.724 -20.538 128 H ILE 16 H ILE 16 8.211 12.585 -17.192 129 HA ILE 16 HA ILE 16 7.219 15.242 -17.904 130 HB ILE 16 HB ILE 16 5.430 12.841 -18.207 131 HG12 ILE 16 HG12 ILE 16 5.787 13.559 -20.752 132 HG13 ILE 16 HG13 ILE 16 7.364 14.036 -20.133 133 HG21 ILE 16 HG21 ILE 16 3.980 14.569 -18.102 134 HG22 ILE 16 HG22 ILE 16 5.194 15.757 -18.574 135 HG23 ILE 16 HG23 ILE 16 4.418 14.755 -19.800 136 HD11 ILE 16 HD11 ILE 16 8.002 11.889 -19.721 137 HD12 ILE 16 HD12 ILE 16 6.349 11.326 -19.475 138 HD13 ILE 16 HD13 ILE 16 6.940 11.640 -21.106 139 H SER 17 H SER 17 7.910 13.127 -15.566 140 HA SER 17 HA SER 17 5.578 13.727 -13.894 141 HB2 SER 17 HB2 SER 17 7.493 11.531 -14.037 142 HB3 SER 17 HB3 SER 17 7.285 12.133 -12.392 143 HG SER 17 HG SER 17 5.755 10.521 -12.882 144 HA PRO 18 HA PRO 18 9.131 15.285 -11.063 145 HB2 PRO 18 HB2 PRO 18 11.687 15.024 -11.939 146 HB3 PRO 18 HB3 PRO 18 10.850 13.761 -11.028 147 HG2 PRO 18 HG2 PRO 18 11.289 13.991 -13.980 148 HG3 PRO 18 HG3 PRO 18 11.433 12.566 -12.936 149 HD2 PRO 18 HD2 PRO 18 9.257 13.027 -14.481 150 HD3 PRO 18 HD3 PRO 18 9.158 12.196 -12.915 151 HA PRO 19 HA PRO 19 10.885 18.195 -14.580 152 HB2 PRO 19 HB2 PRO 19 9.582 17.929 -16.947 153 HB3 PRO 19 HB3 PRO 19 11.056 17.035 -16.556 154 HG2 PRO 19 HG2 PRO 19 8.204 16.135 -16.425 155 HG3 PRO 19 HG3 PRO 19 9.624 15.266 -17.036 156 HD2 PRO 19 HD2 PRO 19 8.579 14.807 -14.580 157 HD3 PRO 19 HD3 PRO 19 10.315 14.656 -14.923 158 H GLU 20 H GLU 20 7.626 17.286 -13.934 159 HA GLU 20 HA GLU 20 6.462 19.779 -14.807 160 HB2 GLU 20 HB2 GLU 20 5.505 17.196 -14.001 161 HB3 GLU 20 HB3 GLU 20 4.695 18.436 -13.055 162 HG2 GLU 20 HG2 GLU 20 3.476 17.833 -15.102 163 HG3 GLU 20 HG3 GLU 20 3.931 19.535 -15.048 164 H PHE 21 H PHE 21 7.984 18.581 -11.987 165 HA PHE 21 HA PHE 21 6.734 20.060 -9.976 166 HB2 PHE 21 HB2 PHE 21 8.944 18.358 -10.162 167 HB3 PHE 21 HB3 PHE 21 9.597 19.878 -9.559 168 HD1 PHE 21 HD1 PHE 21 6.646 17.668 -8.967 169 HD2 PHE 21 HD2 PHE 21 9.675 20.142 -7.287 170 HE1 PHE 21 HE1 PHE 21 5.845 17.110 -6.709 171 HE2 PHE 21 HE2 PHE 21 8.879 19.587 -5.026 172 HZ PHE 21 HZ PHE 21 6.962 18.069 -4.735 173 H GLY 22 H GLY 22 9.139 20.982 -12.350 174 HA2 GLY 22 HA2 GLY 22 10.105 23.005 -12.856 175 HA3 GLY 22 HA3 GLY 22 8.581 23.689 -12.311 Start of MODEL 5 1 H1 TRP 1 H TRP 1 0.225 1.420 -0.271 2 HA TRP 1 HA TRP 1 1.838 -0.923 -0.646 3 HB2 TRP 1 HB2 TRP 1 1.118 1.406 -2.420 4 HB3 TRP 1 HB3 TRP 1 2.230 0.142 -2.939 5 HD1 TRP 1 HD1 TRP 1 0.146 -1.975 -1.158 6 HE1 TRP 1 HE1 TRP 1 -1.852 -2.874 -2.510 7 HE3 TRP 1 HE3 TRP 1 0.137 1.441 -4.961 8 HZ2 TRP 1 HZ2 TRP 1 -3.246 -2.221 -4.875 9 HZ3 TRP 1 HZ3 TRP 1 -1.561 1.233 -6.729 10 HH2 TRP 1 HH2 TRP 1 -3.217 -0.561 -6.686 11 H ARG 2 H ARG 2 3.988 -1.122 -0.529 12 HA ARG 2 HA ARG 2 5.552 1.029 0.521 13 HB2 ARG 2 HB2 ARG 2 5.877 -1.837 0.063 14 HB3 ARG 2 HB3 ARG 2 7.346 -0.926 -0.259 15 HG2 ARG 2 HG2 ARG 2 7.683 -0.451 1.910 16 HG3 ARG 2 HG3 ARG 2 5.963 -0.229 2.238 17 HD2 ARG 2 HD2 ARG 2 5.630 -2.621 2.314 18 HD3 ARG 2 HD3 ARG 2 7.309 -2.900 1.851 19 HE ARG 2 HE ARG 2 7.016 -1.359 4.259 20 HH11 ARG 2 HH11 ARG 2 7.176 -4.566 2.914 21 HH12 ARG 2 HH12 ARG 2 7.713 -5.299 4.389 22 HH21 ARG 2 HH21 ARG 2 7.723 -2.312 6.207 23 HH22 ARG 2 HH22 ARG 2 8.023 -4.016 6.262 24 HA PRO 3 HA PRO 3 7.297 2.794 -3.096 25 HB2 PRO 3 HB2 PRO 3 9.878 3.210 -2.361 26 HB3 PRO 3 HB3 PRO 3 8.531 4.160 -1.721 27 HG2 PRO 3 HG2 PRO 3 9.969 1.841 -0.489 28 HG3 PRO 3 HG3 PRO 3 9.442 3.359 0.263 29 HD2 PRO 3 HD2 PRO 3 8.062 1.044 0.531 30 HD3 PRO 3 HD3 PRO 3 7.268 2.632 0.502 31 H TYR 4 H TYR 4 7.012 0.690 -4.243 32 HA TYR 4 HA TYR 4 9.634 -0.350 -5.062 33 HB2 TYR 4 HB2 TYR 4 8.172 -1.863 -3.466 34 HB3 TYR 4 HB3 TYR 4 7.308 -2.225 -4.956 35 HD1 TYR 4 HD2 TYR 4 8.970 -2.784 -7.003 36 HD2 TYR 4 HD1 TYR 4 9.872 -3.298 -2.877 37 HE1 TYR 4 HE2 TYR 4 10.675 -4.457 -7.590 38 HE2 TYR 4 HE1 TYR 4 11.580 -4.971 -3.452 39 HH TYR 4 HH TYR 4 13.053 -5.422 -5.630 40 H LEU 5 H LEU 5 6.196 -0.807 -5.904 41 HA LEU 5 HA LEU 5 6.828 -0.848 -8.716 42 HB2 LEU 5 HB2 LEU 5 4.772 -1.721 -9.018 43 HB3 LEU 5 HB3 LEU 5 4.917 -2.052 -7.293 44 HG LEU 5 HG LEU 5 3.757 0.336 -7.131 45 HD11 LEU 5 HD11 LEU 5 3.783 0.139 -9.810 46 HD12 LEU 5 HD12 LEU 5 2.550 1.020 -8.908 47 HD13 LEU 5 HD13 LEU 5 2.230 -0.623 -9.464 48 HD21 LEU 5 HD21 LEU 5 1.699 -0.787 -6.745 49 HD22 LEU 5 HD22 LEU 5 2.986 -1.888 -6.253 50 HD23 LEU 5 HD23 LEU 5 2.159 -2.129 -7.793 51 H GLN 6 H GLN 6 5.773 1.478 -6.391 52 HA GLN 6 HA GLN 6 4.417 3.332 -7.919 53 HB2 GLN 6 HB2 GLN 6 5.258 3.268 -5.361 54 HB3 GLN 6 HB3 GLN 6 6.413 4.421 -6.018 55 HG2 GLN 6 HG2 GLN 6 4.791 5.870 -5.411 56 HG3 GLN 6 HG3 GLN 6 4.204 5.482 -7.027 57 HE21 GLN 6 HE21 GLN 6 2.540 3.857 -7.208 58 HE22 GLN 6 HE22 GLN 6 1.410 3.646 -5.918 59 H THR 7 H THR 7 7.931 3.069 -7.442 60 HA THR 7 HA THR 7 8.578 5.236 -9.158 61 HB THR 7 HB THR 7 10.129 4.411 -7.424 62 HG1 THR 7 HG1 THR 7 11.849 4.924 -8.632 63 HG21 THR 7 HG21 THR 7 9.556 1.914 -8.389 64 HG22 THR 7 HG22 THR 7 10.898 2.302 -7.314 65 HG23 THR 7 HG23 THR 7 11.161 2.209 -9.055 66 H GLU 8 H GLU 8 8.058 1.816 -9.661 67 HA GLU 8 HA GLU 8 9.282 1.443 -12.122 68 HB2 GLU 8 HB2 GLU 8 7.443 0.026 -10.485 69 HB3 GLU 8 HB3 GLU 8 6.790 0.042 -12.117 70 HG2 GLU 8 HG2 GLU 8 8.875 -0.888 -12.970 71 HG3 GLU 8 HG3 GLU 8 9.545 -0.890 -11.340 72 H TYR 9 H TYR 9 6.360 3.141 -11.323 73 HA TYR 9 HA TYR 9 5.424 3.264 -14.055 74 HB2 TYR 9 HB2 TYR 9 4.374 3.916 -11.424 75 HB3 TYR 9 HB3 TYR 9 4.043 5.191 -12.591 76 HD1 TYR 9 HD1 TYR 9 3.247 4.174 -14.984 77 HD2 TYR 9 HD2 TYR 9 2.734 2.323 -11.188 78 HE1 TYR 9 HE1 TYR 9 1.364 2.870 -15.881 79 HE2 TYR 9 HE2 TYR 9 0.851 1.012 -12.075 80 HH TYR 9 HH TYR 9 -0.887 1.515 -14.229 81 H TYR 10 H TYR 10 6.850 5.499 -11.698 82 HA TYR 10 HA TYR 10 6.829 7.780 -13.345 83 HB2 TYR 10 HB2 TYR 10 8.819 7.163 -11.156 84 HB3 TYR 10 HB3 TYR 10 8.361 8.752 -11.758 85 HD1 TYR 10 HD1 TYR 10 5.417 8.494 -11.866 86 HD2 TYR 10 HD2 TYR 10 8.188 7.198 -8.909 87 HE1 TYR 10 HE1 TYR 10 3.652 8.635 -10.159 88 HE2 TYR 10 HE2 TYR 10 6.431 7.334 -7.194 89 HH TYR 10 HH TYR 10 3.248 8.649 -7.925 90 H ASP 11 H ASP 11 9.028 5.082 -13.089 91 HA ASP 11 HA ASP 11 11.290 6.128 -14.324 92 HB2 ASP 11 HB2 ASP 11 10.807 3.771 -13.258 93 HB3 ASP 11 HB3 ASP 11 10.428 3.324 -14.919 94 H VAL 12 H VAL 12 8.281 4.974 -15.703 95 HA VAL 12 HA VAL 12 9.302 5.273 -18.420 96 HB VAL 12 HB VAL 12 6.560 4.416 -17.484 97 HG11 VAL 12 HG11 VAL 12 7.795 4.793 -20.156 98 HG12 VAL 12 HG12 VAL 12 6.718 3.413 -19.933 99 HG13 VAL 12 HG13 VAL 12 6.131 5.049 -19.631 100 HG21 VAL 12 HG21 VAL 12 7.680 2.211 -18.577 101 HG22 VAL 12 HG22 VAL 12 9.098 2.970 -17.852 102 HG23 VAL 12 HG23 VAL 12 7.700 2.577 -16.851 103 H MET 13 H MET 13 7.266 6.900 -16.116 104 HA MET 13 HA MET 13 6.419 8.834 -18.153 105 HB2 MET 13 HB2 MET 13 4.749 7.738 -16.569 106 HB3 MET 13 HB3 MET 13 5.471 8.710 -15.295 107 HG2 MET 13 HG2 MET 13 4.983 10.685 -16.933 108 HG3 MET 13 HG3 MET 13 3.818 9.556 -17.620 109 HE1 MET 13 HE1 MET 13 4.116 11.510 -13.635 110 HE2 MET 13 HE2 MET 13 4.156 9.780 -13.295 111 HE3 MET 13 HE3 MET 13 5.332 10.489 -14.402 112 H THR 14 H THR 14 9.134 8.772 -17.202 113 HA THR 14 HA THR 14 9.402 11.006 -15.372 114 HB THR 14 HB THR 14 10.952 8.987 -15.387 115 HG1 THR 14 HG1 THR 14 12.475 11.328 -15.715 116 HG21 THR 14 HG21 THR 14 11.197 9.174 -17.957 117 HG22 THR 14 HG22 THR 14 12.621 8.768 -16.998 118 HG23 THR 14 HG23 THR 14 12.398 10.413 -17.593 119 H VAL 15 H VAL 15 8.808 10.716 -18.604 120 HA VAL 15 HA VAL 15 10.457 12.982 -19.426 121 HB VAL 15 HB VAL 15 8.503 11.402 -21.100 122 HG11 VAL 15 HG11 VAL 15 10.526 13.520 -21.660 123 HG12 VAL 15 HG12 VAL 15 10.203 12.290 -22.884 124 HG13 VAL 15 HG13 VAL 15 8.896 13.322 -22.302 125 HG21 VAL 15 HG21 VAL 15 11.111 10.680 -20.084 126 HG22 VAL 15 HG22 VAL 15 9.941 9.705 -20.974 127 HG23 VAL 15 HG23 VAL 15 11.093 10.715 -21.848 128 H ILE 16 H ILE 16 7.691 12.704 -17.797 129 HA ILE 16 HA ILE 16 6.681 15.249 -18.822 130 HB ILE 16 HB ILE 16 4.761 13.026 -18.172 131 HG12 ILE 16 HG12 ILE 16 4.512 13.180 -20.824 132 HG13 ILE 16 HG13 ILE 16 6.213 13.614 -20.706 133 HG21 ILE 16 HG21 ILE 16 3.540 14.950 -18.070 134 HG22 ILE 16 HG22 ILE 16 4.577 15.800 -19.215 135 HG23 ILE 16 HG23 ILE 16 3.409 14.613 -19.796 136 HD11 ILE 16 HD11 ILE 16 5.244 11.197 -19.271 137 HD12 ILE 16 HD12 ILE 16 5.477 11.130 -21.018 138 HD13 ILE 16 HD13 ILE 16 6.828 11.542 -19.963 139 H SER 17 H SER 17 7.828 13.587 -16.304 140 HA SER 17 HA SER 17 6.012 14.739 -14.311 141 HB2 SER 17 HB2 SER 17 7.725 12.380 -14.409 142 HB3 SER 17 HB3 SER 17 7.959 13.316 -12.934 143 HG SER 17 HG SER 17 6.279 11.790 -12.704 144 HA PRO 18 HA PRO 18 10.225 16.471 -12.789 145 HB2 PRO 18 HB2 PRO 18 12.470 15.787 -14.153 146 HB3 PRO 18 HB3 PRO 18 11.825 14.822 -12.820 147 HG2 PRO 18 HG2 PRO 18 11.531 14.412 -15.771 148 HG3 PRO 18 HG3 PRO 18 11.860 13.217 -14.503 149 HD2 PRO 18 HD2 PRO 18 9.395 13.573 -15.565 150 HD3 PRO 18 HD3 PRO 18 9.645 13.087 -13.876 151 HA PRO 19 HA PRO 19 11.193 18.429 -17.164 152 HB2 PRO 19 HB2 PRO 19 9.334 17.825 -19.048 153 HB3 PRO 19 HB3 PRO 19 10.814 16.886 -18.823 154 HG2 PRO 19 HG2 PRO 19 8.043 16.318 -17.843 155 HG3 PRO 19 HG3 PRO 19 9.225 15.208 -18.561 156 HD2 PRO 19 HD2 PRO 19 8.799 15.356 -15.891 157 HD3 PRO 19 HD3 PRO 19 10.386 14.967 -16.585 158 H GLU 20 H GLU 20 8.155 17.996 -15.599 159 HA GLU 20 HA GLU 20 6.932 20.367 -16.702 160 HB2 GLU 20 HB2 GLU 20 6.081 18.105 -15.153 161 HB3 GLU 20 HB3 GLU 20 5.591 19.584 -14.339 162 HG2 GLU 20 HG2 GLU 20 5.015 19.870 -17.101 163 HG3 GLU 20 HG3 GLU 20 4.398 18.308 -16.565 164 H PHE 21 H PHE 21 9.042 19.611 -14.116 165 HA PHE 21 HA PHE 21 8.400 21.582 -12.245 166 HB2 PHE 21 HB2 PHE 21 10.419 19.667 -12.568 167 HB3 PHE 21 HB3 PHE 21 11.263 21.208 -12.457 168 HD1 PHE 21 HD1 PHE 21 8.370 19.544 -10.778 169 HD2 PHE 21 HD2 PHE 21 11.966 21.783 -10.360 170 HE1 PHE 21 HE1 PHE 21 8.106 19.505 -8.332 171 HE2 PHE 21 HE2 PHE 21 11.708 21.747 -7.914 172 HZ PHE 21 HZ PHE 21 9.777 20.606 -6.896 173 H GLY 22 H GLY 22 10.239 21.753 -15.231 174 HA2 GLY 22 HA2 GLY 22 11.157 23.525 -16.369 175 HA3 GLY 22 HA3 GLY 22 9.824 24.447 -15.690 Start of MODEL 6 1 H1 TRP 1 H TRP 1 6.890 0.151 3.953 2 HA TRP 1 HA TRP 1 5.595 -0.946 2.426 3 HB2 TRP 1 HB2 TRP 1 3.511 0.961 3.480 4 HB3 TRP 1 HB3 TRP 1 3.169 -0.170 2.174 5 HD1 TRP 1 HD1 TRP 1 5.256 -2.314 3.922 6 HE1 TRP 1 HE1 TRP 1 4.063 -3.706 5.730 7 HE3 TRP 1 HE3 TRP 1 0.997 0.471 4.413 8 HZ2 TRP 1 HZ2 TRP 1 1.638 -3.632 7.172 9 HZ3 TRP 1 HZ3 TRP 1 -0.710 -0.258 6.028 10 HH2 TRP 1 HH2 TRP 1 -0.394 -2.268 7.378 11 H ARG 2 H ARG 2 7.304 0.315 1.151 12 HA ARG 2 HA ARG 2 6.395 2.560 -0.386 13 HB2 ARG 2 HB2 ARG 2 8.873 0.966 -0.159 14 HB3 ARG 2 HB3 ARG 2 8.579 1.691 -1.734 15 HG2 ARG 2 HG2 ARG 2 9.633 3.459 -0.858 16 HG3 ARG 2 HG3 ARG 2 8.075 3.791 -0.100 17 HD2 ARG 2 HD2 ARG 2 8.756 2.995 1.956 18 HD3 ARG 2 HD3 ARG 2 10.014 1.976 1.259 19 HE ARG 2 HE ARG 2 10.821 4.521 0.705 20 HH11 ARG 2 HH11 ARG 2 9.956 2.794 3.602 21 HH12 ARG 2 HH12 ARG 2 11.011 3.716 4.622 22 HH21 ARG 2 HH21 ARG 2 12.213 5.741 2.037 23 HH22 ARG 2 HH22 ARG 2 12.293 5.392 3.731 24 HA PRO 3 HA PRO 3 4.547 0.592 -3.844 25 HB2 PRO 3 HB2 PRO 3 5.456 2.081 -5.924 26 HB3 PRO 3 HB3 PRO 3 4.265 2.679 -4.763 27 HG2 PRO 3 HG2 PRO 3 7.216 3.173 -4.874 28 HG3 PRO 3 HG3 PRO 3 5.901 4.317 -4.545 29 HD2 PRO 3 HD2 PRO 3 7.415 3.233 -2.579 30 HD3 PRO 3 HD3 PRO 3 5.707 3.655 -2.345 31 H TYR 4 H TYR 4 4.995 -0.435 -5.991 32 HA TYR 4 HA TYR 4 7.768 -1.367 -6.249 33 HB2 TYR 4 HB2 TYR 4 5.374 -3.200 -6.448 34 HB3 TYR 4 HB3 TYR 4 7.073 -3.656 -6.511 35 HD1 TYR 4 HD1 TYR 4 8.470 -2.977 -4.368 36 HD2 TYR 4 HD2 TYR 4 4.242 -3.451 -4.450 37 HE1 TYR 4 HE1 TYR 4 8.468 -3.332 -1.934 38 HE2 TYR 4 HE2 TYR 4 4.229 -3.806 -2.016 39 HH TYR 4 HH TYR 4 5.452 -3.995 -0.176 40 H LEU 5 H LEU 5 4.603 -1.869 -7.821 41 HA LEU 5 HA LEU 5 5.830 -1.813 -10.432 42 HB2 LEU 5 HB2 LEU 5 3.923 -2.742 -11.193 43 HB3 LEU 5 HB3 LEU 5 3.704 -3.122 -9.486 44 HG LEU 5 HG LEU 5 2.447 -0.779 -9.523 45 HD11 LEU 5 HD11 LEU 5 3.060 -0.893 -12.137 46 HD12 LEU 5 HD12 LEU 5 1.632 -0.075 -11.503 47 HD13 LEU 5 HD13 LEU 5 1.496 -1.708 -12.153 48 HD21 LEU 5 HD21 LEU 5 0.396 -1.979 -9.629 49 HD22 LEU 5 HD22 LEU 5 1.585 -3.047 -8.884 50 HD23 LEU 5 HD23 LEU 5 1.129 -3.275 -10.574 51 H GLN 6 H GLN 6 4.212 0.400 -8.332 52 HA GLN 6 HA GLN 6 3.174 2.260 -10.105 53 HB2 GLN 6 HB2 GLN 6 3.400 2.109 -7.400 54 HB3 GLN 6 HB3 GLN 6 4.546 3.395 -7.754 55 HG2 GLN 6 HG2 GLN 6 2.532 4.491 -7.345 56 HG3 GLN 6 HG3 GLN 6 2.678 4.471 -9.102 57 HE21 GLN 6 HE21 GLN 6 0.857 4.036 -10.093 58 HE22 GLN 6 HE22 GLN 6 -0.407 3.010 -9.514 59 H THR 7 H THR 7 6.444 2.168 -8.699 60 HA THR 7 HA THR 7 7.429 4.414 -10.079 61 HB THR 7 HB THR 7 8.556 3.469 -8.104 62 HG1 THR 7 HG1 THR 7 9.841 4.746 -9.419 63 HG21 THR 7 HG21 THR 7 8.272 1.047 -9.357 64 HG22 THR 7 HG22 THR 7 9.306 1.356 -7.962 65 HG23 THR 7 HG23 THR 7 9.986 1.392 -9.588 66 H GLU 8 H GLU 8 7.161 1.037 -10.961 67 HA GLU 8 HA GLU 8 8.933 0.873 -13.076 68 HB2 GLU 8 HB2 GLU 8 6.783 -0.670 -12.060 69 HB3 GLU 8 HB3 GLU 8 6.520 -0.496 -13.789 70 HG2 GLU 8 HG2 GLU 8 8.961 -1.214 -14.043 71 HG3 GLU 8 HG3 GLU 8 8.843 -1.735 -12.364 72 H TYR 9 H TYR 9 5.856 2.488 -12.892 73 HA TYR 9 HA TYR 9 5.670 2.882 -15.754 74 HB2 TYR 9 HB2 TYR 9 3.915 3.178 -13.470 75 HB3 TYR 9 HB3 TYR 9 3.865 4.611 -14.491 76 HD1 TYR 9 HD2 TYR 9 3.159 4.420 -16.856 77 HD2 TYR 9 HD1 TYR 9 2.978 1.102 -14.198 78 HE1 TYR 9 HE2 TYR 9 1.646 3.263 -18.412 79 HE2 TYR 9 HE1 TYR 9 1.466 -0.064 -15.747 80 HH TYR 9 HH TYR 9 -0.291 1.092 -17.824 81 H TYR 10 H TYR 10 6.311 4.861 -12.881 82 HA TYR 10 HA TYR 10 6.619 7.313 -14.229 83 HB2 TYR 10 HB2 TYR 10 7.978 6.492 -11.657 84 HB3 TYR 10 HB3 TYR 10 7.620 8.130 -12.194 85 HD1 TYR 10 HD2 TYR 10 4.828 7.827 -13.123 86 HD2 TYR 10 HD1 TYR 10 6.769 6.261 -9.675 87 HE1 TYR 10 HE2 TYR 10 2.667 7.741 -11.952 88 HE2 TYR 10 HE1 TYR 10 4.613 6.169 -8.495 89 HH TYR 10 HH TYR 10 1.682 7.500 -9.918 90 H ASP 11 H ASP 11 8.734 4.602 -13.804 91 HA ASP 11 HA ASP 11 11.223 5.808 -14.197 92 HB2 ASP 11 HB2 ASP 11 10.541 3.324 -13.637 93 HB3 ASP 11 HB3 ASP 11 10.654 3.121 -15.383 94 H VAL 12 H VAL 12 8.705 4.950 -16.462 95 HA VAL 12 HA VAL 12 10.412 5.580 -18.747 96 HB VAL 12 HB VAL 12 7.525 4.693 -18.736 97 HG11 VAL 12 HG11 VAL 12 8.020 5.785 -20.786 98 HG12 VAL 12 HG12 VAL 12 9.578 4.968 -20.921 99 HG13 VAL 12 HG13 VAL 12 8.082 4.052 -21.104 100 HG21 VAL 12 HG21 VAL 12 8.781 2.541 -19.629 101 HG22 VAL 12 HG22 VAL 12 10.084 3.185 -18.630 102 HG23 VAL 12 HG23 VAL 12 8.520 2.812 -17.906 103 H MET 13 H MET 13 7.795 6.906 -16.872 104 HA MET 13 HA MET 13 7.499 9.126 -18.767 105 HB2 MET 13 HB2 MET 13 5.481 7.848 -17.873 106 HB3 MET 13 HB3 MET 13 5.807 8.616 -16.325 107 HG2 MET 13 HG2 MET 13 5.746 10.812 -17.737 108 HG3 MET 13 HG3 MET 13 4.836 9.816 -18.869 109 HE1 MET 13 HE1 MET 13 3.973 9.416 -14.631 110 HE2 MET 13 HE2 MET 13 5.392 10.252 -15.261 111 HE3 MET 13 HE3 MET 13 3.992 11.177 -14.720 112 H THR 14 H THR 14 9.849 8.874 -17.124 113 HA THR 14 HA THR 14 9.561 10.821 -14.994 114 HB THR 14 HB THR 14 11.095 8.794 -14.870 115 HG1 THR 14 HG1 THR 14 11.215 10.854 -13.585 116 HG21 THR 14 HG21 THR 14 13.196 8.831 -15.937 117 HG22 THR 14 HG22 THR 14 13.007 10.514 -16.431 118 HG23 THR 14 HG23 THR 14 12.039 9.256 -17.198 119 H VAL 15 H VAL 15 9.881 11.005 -18.272 120 HA VAL 15 HA VAL 15 11.647 13.331 -18.280 121 HB VAL 15 HB VAL 15 10.259 12.044 -20.632 122 HG11 VAL 15 HG11 VAL 15 10.926 14.107 -21.395 123 HG12 VAL 15 HG12 VAL 15 12.317 14.179 -20.311 124 HG13 VAL 15 HG13 VAL 15 12.361 13.143 -21.738 125 HG21 VAL 15 HG21 VAL 15 12.616 11.104 -21.026 126 HG22 VAL 15 HG22 VAL 15 12.888 11.442 -19.317 127 HG23 VAL 15 HG23 VAL 15 11.610 10.328 -19.803 128 H ILE 16 H ILE 16 8.547 12.879 -17.528 129 HA ILE 16 HA ILE 16 7.806 15.564 -18.418 130 HB ILE 16 HB ILE 16 5.825 13.310 -18.642 131 HG12 ILE 16 HG12 ILE 16 6.309 13.845 -21.211 132 HG13 ILE 16 HG13 ILE 16 7.905 14.223 -20.571 133 HG21 ILE 16 HG21 ILE 16 5.158 15.315 -20.406 134 HG22 ILE 16 HG22 ILE 16 4.454 15.060 -18.811 135 HG23 ILE 16 HG23 ILE 16 5.790 16.193 -19.014 136 HD11 ILE 16 HD11 ILE 16 7.489 11.850 -19.394 137 HD12 ILE 16 HD12 ILE 16 6.546 11.634 -20.869 138 HD13 ILE 16 HD13 ILE 16 8.259 12.043 -20.969 139 H SER 17 H SER 17 8.251 13.539 -15.945 140 HA SER 17 HA SER 17 5.936 14.431 -14.383 141 HB2 SER 17 HB2 SER 17 7.657 12.076 -14.343 142 HB3 SER 17 HB3 SER 17 7.459 12.789 -12.742 143 HG SER 17 HG SER 17 5.813 11.269 -13.223 144 HA PRO 18 HA PRO 18 9.534 15.845 -11.534 145 HB2 PRO 18 HB2 PRO 18 12.080 15.317 -12.314 146 HB3 PRO 18 HB3 PRO 18 11.114 14.185 -11.360 147 HG2 PRO 18 HG2 PRO 18 11.649 14.205 -14.306 148 HG3 PRO 18 HG3 PRO 18 11.641 12.835 -13.179 149 HD2 PRO 18 HD2 PRO 18 9.555 13.388 -14.815 150 HD3 PRO 18 HD3 PRO 18 9.343 12.662 -13.209 151 HA PRO 19 HA PRO 19 11.625 18.385 -15.152 152 HB2 PRO 19 HB2 PRO 19 10.366 18.093 -17.540 153 HB3 PRO 19 HB3 PRO 19 11.747 17.101 -17.053 154 HG2 PRO 19 HG2 PRO 19 8.825 16.455 -16.962 155 HG3 PRO 19 HG3 PRO 19 10.181 15.435 -17.478 156 HD2 PRO 19 HD2 PRO 19 9.036 15.210 -15.035 157 HD3 PRO 19 HD3 PRO 19 10.760 14.893 -15.314 158 H GLU 20 H GLU 20 8.283 17.794 -14.559 159 HA GLU 20 HA GLU 20 7.363 20.322 -15.606 160 HB2 GLU 20 HB2 GLU 20 6.165 17.881 -14.687 161 HB3 GLU 20 HB3 GLU 20 5.441 19.239 -13.838 162 HG2 GLU 20 HG2 GLU 20 4.276 18.558 -15.935 163 HG3 GLU 20 HG3 GLU 20 4.751 20.254 -15.864 164 H PHE 21 H PHE 21 8.707 19.170 -12.680 165 HA PHE 21 HA PHE 21 7.533 20.876 -10.800 166 HB2 PHE 21 HB2 PHE 21 9.591 18.970 -10.816 167 HB3 PHE 21 HB3 PHE 21 10.341 20.457 -10.246 168 HD1 PHE 21 HD1 PHE 21 7.118 18.642 -9.721 169 HD2 PHE 21 HD2 PHE 21 10.409 20.701 -7.975 170 HE1 PHE 21 HE1 PHE 21 6.169 18.255 -7.484 171 HE2 PHE 21 HE2 PHE 21 9.466 20.316 -5.735 172 HZ PHE 21 HZ PHE 21 7.344 19.091 -5.487 173 H GLY 22 H GLY 22 9.887 21.481 -13.268 174 HA2 GLY 22 HA2 GLY 22 11.231 23.702 -12.321 175 HA3 GLY 22 HA3 GLY 22 10.824 23.442 -14.011 Start of MODEL 7 1 H1 TRP 1 H TRP 1 2.917 4.420 0.030 2 HA TRP 1 HA TRP 1 3.333 2.563 1.281 3 HB2 TRP 1 HB2 TRP 1 0.711 1.717 0.053 4 HB3 TRP 1 HB3 TRP 1 1.605 0.685 1.166 5 HD1 TRP 1 HD1 TRP 1 2.401 3.654 2.766 6 HE1 TRP 1 HE1 TRP 1 0.669 4.408 4.514 7 HE3 TRP 1 HE3 TRP 1 -1.576 0.827 1.239 8 HZ2 TRP 1 HZ2 TRP 1 -2.026 3.875 5.160 9 HZ3 TRP 1 HZ3 TRP 1 -3.695 1.007 2.477 10 HH2 TRP 1 HH2 TRP 1 -3.913 2.499 4.397 11 H ARG 2 H ARG 2 4.511 0.674 1.076 12 HA ARG 2 HA ARG 2 5.925 -0.767 0.021 13 HB2 ARG 2 HB2 ARG 2 3.362 -1.092 -1.511 14 HB3 ARG 2 HB3 ARG 2 4.795 -2.006 -1.959 15 HG2 ARG 2 HG2 ARG 2 3.890 -2.043 0.877 16 HG3 ARG 2 HG3 ARG 2 3.021 -3.005 -0.320 17 HD2 ARG 2 HD2 ARG 2 5.837 -3.357 -0.678 18 HD3 ARG 2 HD3 ARG 2 5.425 -3.636 1.013 19 HE ARG 2 HE ARG 2 3.553 -5.062 -0.309 20 HH11 ARG 2 HH11 ARG 2 7.025 -4.926 -0.516 21 HH12 ARG 2 HH12 ARG 2 7.191 -6.580 -1.005 22 HH21 ARG 2 HH21 ARG 2 3.758 -7.241 -0.953 23 HH22 ARG 2 HH22 ARG 2 5.332 -7.895 -1.254 24 HA PRO 3 HA PRO 3 7.028 2.413 -3.189 25 HB2 PRO 3 HB2 PRO 3 9.511 2.894 -2.203 26 HB3 PRO 3 HB3 PRO 3 8.070 3.744 -1.634 27 HG2 PRO 3 HG2 PRO 3 9.504 1.419 -0.411 28 HG3 PRO 3 HG3 PRO 3 8.841 2.863 0.375 29 HD2 PRO 3 HD2 PRO 3 7.556 0.480 0.386 30 HD3 PRO 3 HD3 PRO 3 6.692 2.031 0.376 31 H TYR 4 H TYR 4 6.942 0.358 -4.464 32 HA TYR 4 HA TYR 4 9.672 -0.500 -5.118 33 HB2 TYR 4 HB2 TYR 4 8.176 -2.170 -3.717 34 HB3 TYR 4 HB3 TYR 4 7.460 -2.503 -5.291 35 HD1 TYR 4 HD1 TYR 4 9.617 -2.521 -7.150 36 HD2 TYR 4 HD2 TYR 4 9.599 -3.881 -3.118 37 HE1 TYR 4 HE1 TYR 4 11.463 -4.062 -7.668 38 HE2 TYR 4 HE2 TYR 4 11.446 -5.425 -3.625 39 HH TYR 4 HH TYR 4 13.428 -5.216 -5.970 40 H LEU 5 H LEU 5 6.339 -1.093 -6.248 41 HA LEU 5 HA LEU 5 7.183 -0.953 -9.001 42 HB2 LEU 5 HB2 LEU 5 5.211 -1.919 -9.505 43 HB3 LEU 5 HB3 LEU 5 5.244 -2.332 -7.792 44 HG LEU 5 HG LEU 5 3.938 -0.023 -7.607 45 HD11 LEU 5 HD11 LEU 5 4.178 -0.077 -10.281 46 HD12 LEU 5 HD12 LEU 5 2.831 0.687 -9.438 47 HD13 LEU 5 HD13 LEU 5 2.650 -0.939 -10.096 48 HD21 LEU 5 HD21 LEU 5 1.925 -1.274 -7.437 49 HD22 LEU 5 HD22 LEU 5 3.233 -2.329 -6.901 50 HD23 LEU 5 HD23 LEU 5 2.540 -2.532 -8.511 51 H GLN 6 H GLN 6 5.822 1.186 -6.656 52 HA GLN 6 HA GLN 6 4.480 3.042 -8.194 53 HB2 GLN 6 HB2 GLN 6 6.133 3.306 -5.701 54 HB3 GLN 6 HB3 GLN 6 5.402 4.721 -6.446 55 HG2 GLN 6 HG2 GLN 6 3.211 3.368 -6.335 56 HG3 GLN 6 HG3 GLN 6 4.076 2.367 -5.170 57 HE21 GLN 6 HE21 GLN 6 3.608 5.821 -5.857 58 HE22 GLN 6 HE22 GLN 6 3.322 6.282 -4.217 59 H THR 7 H THR 7 7.957 2.940 -7.459 60 HA THR 7 HA THR 7 8.605 5.228 -9.011 61 HB THR 7 HB THR 7 10.065 4.400 -7.201 62 HG1 THR 7 HG1 THR 7 11.630 5.343 -8.260 63 HG21 THR 7 HG21 THR 7 10.942 2.332 -7.129 64 HG22 THR 7 HG22 THR 7 11.349 2.346 -8.845 65 HG23 THR 7 HG23 THR 7 9.715 1.929 -8.329 66 H GLU 8 H GLU 8 8.325 1.816 -9.716 67 HA GLU 8 HA GLU 8 9.753 1.640 -12.088 68 HB2 GLU 8 HB2 GLU 8 7.868 0.045 -10.674 69 HB3 GLU 8 HB3 GLU 8 7.366 0.100 -12.358 70 HG2 GLU 8 HG2 GLU 8 10.070 -0.739 -11.337 71 HG3 GLU 8 HG3 GLU 8 8.802 -1.805 -11.942 72 H TYR 9 H TYR 9 6.665 3.104 -11.445 73 HA TYR 9 HA TYR 9 5.940 3.325 -14.232 74 HB2 TYR 9 HB2 TYR 9 4.655 3.773 -11.665 75 HB3 TYR 9 HB3 TYR 9 4.340 5.092 -12.786 76 HD1 TYR 9 HD2 TYR 9 4.024 3.925 -15.349 77 HD2 TYR 9 HD1 TYR 9 2.866 2.326 -11.580 78 HE1 TYR 9 HE2 TYR 9 2.297 2.572 -16.461 79 HE2 TYR 9 HE1 TYR 9 1.136 0.967 -12.681 80 HH TYR 9 HH TYR 9 -0.187 1.029 -14.790 81 H TYR 10 H TYR 10 7.060 5.505 -11.668 82 HA TYR 10 HA TYR 10 7.019 7.867 -13.200 83 HB2 TYR 10 HB2 TYR 10 8.868 7.245 -10.891 84 HB3 TYR 10 HB3 TYR 10 8.374 8.837 -11.454 85 HD1 TYR 10 HD2 TYR 10 5.465 8.435 -11.811 86 HD2 TYR 10 HD1 TYR 10 8.064 7.134 -8.704 87 HE1 TYR 10 HE2 TYR 10 3.567 8.402 -10.247 88 HE2 TYR 10 HE1 TYR 10 6.173 7.096 -7.131 89 HH TYR 10 HH TYR 10 3.021 7.127 -8.044 90 H ASP 11 H ASP 11 9.306 5.259 -12.968 91 HA ASP 11 HA ASP 11 11.587 6.535 -13.989 92 HB2 ASP 11 HB2 ASP 11 11.472 4.242 -12.925 93 HB3 ASP 11 HB3 ASP 11 10.839 3.647 -14.458 94 H VAL 12 H VAL 12 8.964 4.800 -15.631 95 HA VAL 12 HA VAL 12 10.070 5.318 -18.244 96 HB VAL 12 HB VAL 12 7.325 4.274 -17.538 97 HG11 VAL 12 HG11 VAL 12 8.870 4.530 -20.080 98 HG12 VAL 12 HG12 VAL 12 7.723 3.204 -19.883 99 HG13 VAL 12 HG13 VAL 12 7.171 4.875 -19.759 100 HG21 VAL 12 HG21 VAL 12 9.001 2.222 -18.507 101 HG22 VAL 12 HG22 VAL 12 9.892 3.058 -17.235 102 HG23 VAL 12 HG23 VAL 12 8.298 2.383 -16.897 103 H MET 13 H MET 13 7.781 6.808 -16.101 104 HA MET 13 HA MET 13 6.900 8.637 -18.220 105 HB2 MET 13 HB2 MET 13 5.233 7.436 -16.711 106 HB3 MET 13 HB3 MET 13 5.803 8.480 -15.417 107 HG2 MET 13 HG2 MET 13 5.260 10.381 -17.135 108 HG3 MET 13 HG3 MET 13 4.210 9.152 -17.836 109 HE1 MET 13 HE1 MET 13 4.405 9.456 -13.545 110 HE2 MET 13 HE2 MET 13 5.501 10.349 -14.598 111 HE3 MET 13 HE3 MET 13 4.138 11.174 -13.841 112 H THR 14 H THR 14 9.554 8.787 -17.084 113 HA THR 14 HA THR 14 9.531 11.082 -15.310 114 HB THR 14 HB THR 14 11.215 9.183 -15.148 115 HG1 THR 14 HG1 THR 14 11.473 11.315 -14.183 116 HG21 THR 14 HG21 THR 14 11.662 9.186 -17.642 117 HG22 THR 14 HG22 THR 14 13.088 9.147 -16.605 118 HG23 THR 14 HG23 THR 14 12.602 10.654 -17.381 119 H VAL 15 H VAL 15 9.194 10.665 -18.565 120 HA VAL 15 HA VAL 15 10.734 13.024 -19.337 121 HB VAL 15 HB VAL 15 9.034 11.259 -21.101 122 HG11 VAL 15 HG11 VAL 15 9.383 13.167 -22.333 123 HG12 VAL 15 HG12 VAL 15 10.940 13.504 -21.575 124 HG13 VAL 15 HG13 VAL 15 10.802 12.221 -22.777 125 HG21 VAL 15 HG21 VAL 15 11.973 11.083 -20.449 126 HG22 VAL 15 HG22 VAL 15 10.731 9.882 -20.093 127 HG23 VAL 15 HG23 VAL 15 11.186 10.211 -21.765 128 H ILE 16 H ILE 16 7.889 12.593 -17.899 129 HA ILE 16 HA ILE 16 6.770 15.018 -19.089 130 HB ILE 16 HB ILE 16 4.977 12.677 -18.484 131 HG12 ILE 16 HG12 ILE 16 4.904 12.724 -21.152 132 HG13 ILE 16 HG13 ILE 16 6.557 13.290 -20.936 133 HG21 ILE 16 HG21 ILE 16 4.597 15.425 -19.221 134 HG22 ILE 16 HG22 ILE 16 3.911 14.365 -20.451 135 HG23 ILE 16 HG23 ILE 16 3.398 14.212 -18.771 136 HD11 ILE 16 HD11 ILE 16 7.276 11.294 -20.110 137 HD12 ILE 16 HD12 ILE 16 5.694 10.866 -19.457 138 HD13 ILE 16 HD13 ILE 16 5.997 10.739 -21.189 139 H SER 17 H SER 17 7.852 13.531 -16.436 140 HA SER 17 HA SER 17 5.822 14.613 -14.618 141 HB2 SER 17 HB2 SER 17 7.695 12.380 -14.508 142 HB3 SER 17 HB3 SER 17 7.761 13.380 -13.057 143 HG SER 17 HG SER 17 5.216 12.838 -13.942 144 HA PRO 18 HA PRO 18 9.787 16.691 -12.878 145 HB2 PRO 18 HB2 PRO 18 12.164 16.128 -14.062 146 HB3 PRO 18 HB3 PRO 18 11.496 15.162 -12.741 147 HG2 PRO 18 HG2 PRO 18 11.439 14.637 -15.688 148 HG3 PRO 18 HG3 PRO 18 11.761 13.511 -14.357 149 HD2 PRO 18 HD2 PRO 18 9.357 13.654 -15.595 150 HD3 PRO 18 HD3 PRO 18 9.522 13.241 -13.876 151 HA PRO 19 HA PRO 19 10.919 18.573 -17.247 152 HB2 PRO 19 HB2 PRO 19 9.243 17.777 -19.229 153 HB3 PRO 19 HB3 PRO 19 10.766 16.954 -18.870 154 HG2 PRO 19 HG2 PRO 19 7.979 16.220 -18.059 155 HG3 PRO 19 HG3 PRO 19 9.283 15.176 -18.654 156 HD2 PRO 19 HD2 PRO 19 8.662 15.378 -16.026 157 HD3 PRO 19 HD3 PRO 19 10.318 15.083 -16.596 158 H GLU 20 H GLU 20 7.817 17.972 -15.876 159 HA GLU 20 HA GLU 20 6.512 20.212 -17.146 160 HB2 GLU 20 HB2 GLU 20 5.715 17.947 -15.573 161 HB3 GLU 20 HB3 GLU 20 5.066 19.413 -14.851 162 HG2 GLU 20 HG2 GLU 20 3.564 18.303 -16.496 163 HG3 GLU 20 HG3 GLU 20 3.923 19.992 -16.849 164 H PHE 21 H PHE 21 8.483 19.694 -14.396 165 HA PHE 21 HA PHE 21 7.577 21.673 -12.648 166 HB2 PHE 21 HB2 PHE 21 9.741 19.897 -12.761 167 HB3 PHE 21 HB3 PHE 21 10.466 21.498 -12.650 168 HD1 PHE 21 HD1 PHE 21 7.645 19.605 -11.100 169 HD2 PHE 21 HD2 PHE 21 10.918 22.270 -10.545 170 HE1 PHE 21 HE1 PHE 21 7.213 19.627 -8.677 171 HE2 PHE 21 HE2 PHE 21 10.492 22.294 -8.122 172 HZ PHE 21 HZ PHE 21 8.638 20.971 -7.185 173 H GLY 22 H GLY 22 9.598 21.879 -15.509 174 HA2 GLY 22 HA2 GLY 22 10.469 23.674 -16.648 175 HA3 GLY 22 HA3 GLY 22 9.034 24.521 -16.091 Start of MODEL 8 1 H1 TRP 1 H TRP 1 1.207 1.046 2.108 2 HA TRP 1 HA TRP 1 2.849 -0.448 1.593 3 HB2 TRP 1 HB2 TRP 1 1.584 -0.212 -1.135 4 HB3 TRP 1 HB3 TRP 1 2.985 -1.236 -0.834 5 HD1 TRP 1 HD1 TRP 1 1.477 -1.856 2.221 6 HE1 TRP 1 HE1 TRP 1 -0.214 -3.797 2.190 7 HE3 TRP 1 HE3 TRP 1 0.657 -2.140 -2.818 8 HZ2 TRP 1 HZ2 TRP 1 -1.698 -5.255 0.283 9 HZ3 TRP 1 HZ3 TRP 1 -0.913 -3.836 -3.663 10 HH2 TRP 1 HH2 TRP 1 -2.064 -5.360 -2.144 11 H ARG 2 H ARG 2 5.008 -0.249 1.220 12 HA ARG 2 HA ARG 2 6.111 2.261 0.752 13 HB2 ARG 2 HB2 ARG 2 7.106 -0.468 1.101 14 HB3 ARG 2 HB3 ARG 2 8.143 0.520 0.081 15 HG2 ARG 2 HG2 ARG 2 8.900 0.679 2.345 16 HG3 ARG 2 HG3 ARG 2 8.202 2.229 1.871 17 HD2 ARG 2 HD2 ARG 2 7.467 1.663 4.098 18 HD3 ARG 2 HD3 ARG 2 6.098 1.585 2.990 19 HE ARG 2 HE ARG 2 7.379 -0.949 3.350 20 HH11 ARG 2 HH11 ARG 2 5.068 1.273 4.706 21 HH12 ARG 2 HH12 ARG 2 4.191 0.045 5.558 22 HH21 ARG 2 HH21 ARG 2 6.234 -2.575 4.467 23 HH22 ARG 2 HH22 ARG 2 4.856 -2.143 5.422 24 HA PRO 3 HA PRO 3 6.371 2.812 -3.592 25 HB2 PRO 3 HB2 PRO 3 8.830 3.921 -3.898 26 HB3 PRO 3 HB3 PRO 3 7.468 4.789 -3.181 27 HG2 PRO 3 HG2 PRO 3 9.748 3.396 -1.831 28 HG3 PRO 3 HG3 PRO 3 9.015 4.966 -1.455 29 HD2 PRO 3 HD2 PRO 3 8.443 2.719 -0.056 30 HD3 PRO 3 HD3 PRO 3 7.254 4.013 -0.313 31 H TYR 4 H TYR 4 6.434 0.972 -4.763 32 HA TYR 4 HA TYR 4 9.074 -0.210 -5.270 33 HB2 TYR 4 HB2 TYR 4 7.459 -1.522 -3.649 34 HB3 TYR 4 HB3 TYR 4 6.682 -2.003 -5.153 35 HD1 TYR 4 HD1 TYR 4 9.907 -2.055 -3.323 36 HD2 TYR 4 HD2 TYR 4 7.611 -3.694 -6.508 37 HE1 TYR 4 HE1 TYR 4 11.591 -3.822 -3.620 38 HE2 TYR 4 HE2 TYR 4 9.289 -5.466 -6.813 39 HH TYR 4 HH TYR 4 12.328 -5.344 -5.626 40 H LEU 5 H LEU 5 5.697 -0.680 -6.326 41 HA LEU 5 HA LEU 5 6.529 -1.019 -9.062 42 HB2 LEU 5 HB2 LEU 5 4.469 -1.854 -9.431 43 HB3 LEU 5 HB3 LEU 5 4.475 -2.009 -7.675 44 HG LEU 5 HG LEU 5 3.399 0.417 -7.844 45 HD11 LEU 5 HD11 LEU 5 2.012 -0.730 -10.179 46 HD12 LEU 5 HD12 LEU 5 3.613 -0.056 -10.479 47 HD13 LEU 5 HD13 LEU 5 2.352 0.951 -9.768 48 HD21 LEU 5 HD21 LEU 5 1.744 -2.038 -8.384 49 HD22 LEU 5 HD22 LEU 5 1.284 -0.591 -7.486 50 HD23 LEU 5 HD23 LEU 5 2.486 -1.698 -6.820 51 H GLN 6 H GLN 6 5.397 1.567 -7.072 52 HA GLN 6 HA GLN 6 4.231 3.293 -8.880 53 HB2 GLN 6 HB2 GLN 6 5.104 3.446 -6.248 54 HB3 GLN 6 HB3 GLN 6 6.037 4.688 -7.073 55 HG2 GLN 6 HG2 GLN 6 4.244 5.951 -6.593 56 HG3 GLN 6 HG3 GLN 6 3.611 5.225 -8.069 57 HE21 GLN 6 HE21 GLN 6 2.839 2.786 -7.371 58 HE22 GLN 6 HE22 GLN 6 1.626 2.832 -6.141 59 H THR 7 H THR 7 7.688 3.030 -8.073 60 HA THR 7 HA THR 7 8.546 4.971 -9.944 61 HB THR 7 HB THR 7 9.934 4.268 -8.031 62 HG1 THR 7 HG1 THR 7 11.638 4.797 -9.179 63 HG21 THR 7 HG21 THR 7 9.323 1.706 -8.801 64 HG22 THR 7 HG22 THR 7 10.582 2.152 -7.649 65 HG23 THR 7 HG23 THR 7 10.992 1.877 -9.341 66 H GLU 8 H GLU 8 7.933 1.534 -10.167 67 HA GLU 8 HA GLU 8 9.314 0.905 -12.492 68 HB2 GLU 8 HB2 GLU 8 7.368 -0.328 -10.849 69 HB3 GLU 8 HB3 GLU 8 6.773 -0.426 -12.500 70 HG2 GLU 8 HG2 GLU 8 9.381 -1.154 -12.803 71 HG3 GLU 8 HG3 GLU 8 8.996 -1.816 -11.216 72 H TYR 9 H TYR 9 6.430 2.769 -12.051 73 HA TYR 9 HA TYR 9 5.809 2.713 -14.905 74 HB2 TYR 9 HB2 TYR 9 4.337 3.349 -12.448 75 HB3 TYR 9 HB3 TYR 9 4.024 4.467 -13.772 76 HD1 TYR 9 HD2 TYR 9 3.864 0.921 -12.746 77 HD2 TYR 9 HD1 TYR 9 2.723 3.812 -15.653 78 HE1 TYR 9 HE2 TYR 9 2.301 -0.699 -13.735 79 HE2 TYR 9 HE1 TYR 9 1.155 2.199 -16.649 80 HH TYR 9 HH TYR 9 0.197 -0.618 -15.119 81 H TYR 10 H TYR 10 6.679 5.024 -12.359 82 HA TYR 10 HA TYR 10 6.661 7.352 -13.885 83 HB2 TYR 10 HB2 TYR 10 8.504 6.668 -11.586 84 HB3 TYR 10 HB3 TYR 10 8.163 8.287 -12.185 85 HD1 TYR 10 HD2 TYR 10 5.232 8.132 -12.580 86 HD2 TYR 10 HD1 TYR 10 7.667 6.684 -9.406 87 HE1 TYR 10 HE2 TYR 10 3.319 8.302 -11.043 88 HE2 TYR 10 HE1 TYR 10 5.761 6.849 -7.861 89 HH TYR 10 HH TYR 10 2.574 7.314 -8.918 90 H ASP 11 H ASP 11 8.979 4.766 -13.737 91 HA ASP 11 HA ASP 11 11.247 6.017 -14.758 92 HB2 ASP 11 HB2 ASP 11 10.707 3.504 -13.971 93 HB3 ASP 11 HB3 ASP 11 10.664 3.268 -15.716 94 H VAL 12 H VAL 12 8.300 5.072 -16.327 95 HA VAL 12 HA VAL 12 9.444 5.513 -18.982 96 HB VAL 12 HB VAL 12 6.665 4.617 -18.202 97 HG11 VAL 12 HG11 VAL 12 6.323 5.495 -20.292 98 HG12 VAL 12 HG12 VAL 12 7.977 5.175 -20.818 99 HG13 VAL 12 HG13 VAL 12 6.813 3.854 -20.713 100 HG21 VAL 12 HG21 VAL 12 7.801 2.729 -17.707 101 HG22 VAL 12 HG22 VAL 12 7.766 2.504 -19.456 102 HG23 VAL 12 HG23 VAL 12 9.198 3.184 -18.683 103 H MET 13 H MET 13 7.325 6.988 -16.647 104 HA MET 13 HA MET 13 6.596 9.089 -18.561 105 HB2 MET 13 HB2 MET 13 4.845 7.900 -17.137 106 HB3 MET 13 HB3 MET 13 5.523 8.762 -15.763 107 HG2 MET 13 HG2 MET 13 5.130 10.863 -17.260 108 HG3 MET 13 HG3 MET 13 3.987 9.808 -18.089 109 HE1 MET 13 HE1 MET 13 4.120 9.678 -13.751 110 HE2 MET 13 HE2 MET 13 5.353 10.463 -14.738 111 HE3 MET 13 HE3 MET 13 4.109 11.431 -13.946 112 H THR 14 H THR 14 9.266 8.897 -17.483 113 HA THR 14 HA THR 14 9.482 10.983 -15.481 114 HB THR 14 HB THR 14 11.003 8.944 -15.590 115 HG1 THR 14 HG1 THR 14 11.437 10.990 -14.438 116 HG21 THR 14 HG21 THR 14 12.515 10.536 -17.644 117 HG22 THR 14 HG22 THR 14 11.379 9.268 -18.103 118 HG23 THR 14 HG23 THR 14 12.787 8.875 -17.118 119 H VAL 15 H VAL 15 9.031 10.954 -18.750 120 HA VAL 15 HA VAL 15 10.744 13.249 -19.319 121 HB VAL 15 HB VAL 15 8.847 11.835 -21.195 122 HG11 VAL 15 HG11 VAL 15 9.315 13.830 -22.231 123 HG12 VAL 15 HG12 VAL 15 10.915 13.962 -21.499 124 HG13 VAL 15 HG13 VAL 15 10.641 12.832 -22.825 125 HG21 VAL 15 HG21 VAL 15 10.263 10.125 -21.239 126 HG22 VAL 15 HG22 VAL 15 11.522 11.216 -21.821 127 HG23 VAL 15 HG23 VAL 15 11.330 10.934 -20.091 128 H ILE 16 H ILE 16 7.919 12.905 -17.825 129 HA ILE 16 HA ILE 16 6.988 15.536 -18.692 130 HB ILE 16 HB ILE 16 5.006 13.304 -18.313 131 HG12 ILE 16 HG12 ILE 16 6.191 14.306 -20.911 132 HG13 ILE 16 HG13 ILE 16 6.435 12.709 -20.211 133 HG21 ILE 16 HG21 ILE 16 4.789 16.093 -18.526 134 HG22 ILE 16 HG22 ILE 16 4.209 15.436 -20.055 135 HG23 ILE 16 HG23 ILE 16 3.485 14.906 -18.537 136 HD11 ILE 16 HD11 ILE 16 4.831 12.529 -21.959 137 HD12 ILE 16 HD12 ILE 16 3.985 12.327 -20.424 138 HD13 ILE 16 HD13 ILE 16 3.878 13.856 -21.296 139 H SER 17 H SER 17 7.983 13.646 -16.268 140 HA SER 17 HA SER 17 6.097 14.673 -14.273 141 HB2 SER 17 HB2 SER 17 7.764 12.289 -14.487 142 HB3 SER 17 HB3 SER 17 7.947 13.097 -12.930 143 HG SER 17 HG SER 17 6.225 11.595 -12.909 144 HA PRO 18 HA PRO 18 10.265 16.174 -12.419 145 HB2 PRO 18 HB2 PRO 18 12.559 15.551 -13.731 146 HB3 PRO 18 HB3 PRO 18 11.831 14.496 -12.514 147 HG2 PRO 18 HG2 PRO 18 11.671 14.337 -15.499 148 HG3 PRO 18 HG3 PRO 18 11.915 13.034 -14.320 149 HD2 PRO 18 HD2 PRO 18 9.511 13.534 -15.462 150 HD3 PRO 18 HD3 PRO 18 9.671 12.905 -13.810 151 HA PRO 19 HA PRO 19 11.480 18.462 -16.566 152 HB2 PRO 19 HB2 PRO 19 9.703 18.059 -18.578 153 HB3 PRO 19 HB3 PRO 19 11.152 17.070 -18.364 154 HG2 PRO 19 HG2 PRO 19 8.326 16.488 -17.565 155 HG3 PRO 19 HG3 PRO 19 9.520 15.413 -18.316 156 HD2 PRO 19 HD2 PRO 19 8.969 15.351 -15.666 157 HD3 PRO 19 HD3 PRO 19 10.580 14.984 -16.315 158 H GLU 20 H GLU 20 8.356 17.969 -15.195 159 HA GLU 20 HA GLU 20 7.249 20.462 -16.144 160 HB2 GLU 20 HB2 GLU 20 5.650 18.756 -15.821 161 HB3 GLU 20 HB3 GLU 20 6.293 18.339 -14.239 162 HG2 GLU 20 HG2 GLU 20 5.444 20.384 -13.300 163 HG3 GLU 20 HG3 GLU 20 4.913 20.933 -14.889 164 H PHE 21 H PHE 21 9.148 19.390 -13.494 165 HA PHE 21 HA PHE 21 8.444 21.216 -11.505 166 HB2 PHE 21 HB2 PHE 21 10.435 19.267 -11.879 167 HB3 PHE 21 HB3 PHE 21 11.295 20.763 -11.527 168 HD1 PHE 21 HD1 PHE 21 9.616 22.125 -9.633 169 HD2 PHE 21 HD2 PHE 21 10.449 17.966 -9.985 170 HE1 PHE 21 HE1 PHE 21 9.145 21.831 -7.236 171 HE2 PHE 21 HE2 PHE 21 9.979 17.666 -7.589 172 HZ PHE 21 HZ PHE 21 9.325 19.599 -6.211 173 H GLY 22 H GLY 22 10.487 21.577 -14.335 174 HA2 GLY 22 HA2 GLY 22 11.535 23.406 -15.249 175 HA3 GLY 22 HA3 GLY 22 10.203 24.321 -14.558 Start of MODEL 9 1 H1 TRP 1 H TRP 1 3.229 2.470 2.336 2 HA TRP 1 HA TRP 1 2.212 2.772 -0.263 3 HB2 TRP 1 HB2 TRP 1 4.766 3.707 1.038 4 HB3 TRP 1 HB3 TRP 1 4.361 4.110 -0.628 5 HD1 TRP 1 HD1 TRP 1 1.110 4.307 0.558 6 HE1 TRP 1 HE1 TRP 1 0.469 6.616 1.499 7 HE3 TRP 1 HE3 TRP 1 5.796 6.221 1.274 8 HZ2 TRP 1 HZ2 TRP 1 1.777 8.940 2.421 9 HZ3 TRP 1 HZ3 TRP 1 6.014 8.495 2.189 10 HH2 TRP 1 HH2 TRP 1 4.045 9.825 2.750 11 H ARG 2 H ARG 2 5.019 1.014 0.964 12 HA ARG 2 HA ARG 2 6.439 -0.481 -0.003 13 HB2 ARG 2 HB2 ARG 2 4.190 -1.062 -1.927 14 HB3 ARG 2 HB3 ARG 2 5.451 -2.157 -1.376 15 HG2 ARG 2 HG2 ARG 2 4.049 -2.893 0.169 16 HG3 ARG 2 HG3 ARG 2 4.132 -1.306 0.938 17 HD2 ARG 2 HD2 ARG 2 2.125 -0.647 0.104 18 HD3 ARG 2 HD3 ARG 2 2.319 -1.573 -1.384 19 HE ARG 2 HE ARG 2 1.046 -2.436 1.034 20 HH11 ARG 2 HH11 ARG 2 2.750 -3.490 -1.813 21 HH12 ARG 2 HH12 ARG 2 2.055 -5.077 -1.800 22 HH21 ARG 2 HH21 ARG 2 0.124 -4.522 1.062 23 HH22 ARG 2 HH22 ARG 2 0.561 -5.663 -0.165 24 HA PRO 3 HA PRO 3 7.431 2.474 -3.448 25 HB2 PRO 3 HB2 PRO 3 9.934 3.037 -2.557 26 HB3 PRO 3 HB3 PRO 3 8.499 3.912 -2.008 27 HG2 PRO 3 HG2 PRO 3 9.984 1.681 -0.674 28 HG3 PRO 3 HG3 PRO 3 9.328 3.168 0.034 29 HD2 PRO 3 HD2 PRO 3 8.066 0.781 0.231 30 HD3 PRO 3 HD3 PRO 3 7.187 2.321 0.142 31 H TYR 4 H TYR 4 7.332 0.338 -4.581 32 HA TYR 4 HA TYR 4 10.053 -0.537 -5.251 33 HB2 TYR 4 HB2 TYR 4 8.625 -2.126 -3.702 34 HB3 TYR 4 HB3 TYR 4 7.853 -2.562 -5.222 35 HD1 TYR 4 HD1 TYR 4 11.123 -2.432 -3.477 36 HD2 TYR 4 HD2 TYR 4 8.901 -4.042 -6.729 37 HE1 TYR 4 HE1 TYR 4 12.963 -3.993 -3.954 38 HE2 TYR 4 HE2 TYR 4 10.734 -5.608 -7.214 39 HH TYR 4 HH TYR 4 12.681 -6.671 -5.762 40 H LEU 5 H LEU 5 6.701 -1.246 -6.251 41 HA LEU 5 HA LEU 5 7.470 -1.279 -9.028 42 HB2 LEU 5 HB2 LEU 5 5.493 -2.291 -9.412 43 HB3 LEU 5 HB3 LEU 5 5.575 -2.587 -7.676 44 HG LEU 5 HG LEU 5 4.254 -0.279 -7.612 45 HD11 LEU 5 HD11 LEU 5 3.091 0.296 -9.456 46 HD12 LEU 5 HD12 LEU 5 2.913 -1.372 -10.000 47 HD13 LEU 5 HD13 LEU 5 4.425 -0.509 -10.282 48 HD21 LEU 5 HD21 LEU 5 2.257 -1.530 -7.306 49 HD22 LEU 5 HD22 LEU 5 3.588 -2.536 -6.733 50 HD23 LEU 5 HD23 LEU 5 2.855 -2.853 -8.306 51 H GLN 6 H GLN 6 6.153 1.004 -6.796 52 HA GLN 6 HA GLN 6 4.755 2.743 -8.419 53 HB2 GLN 6 HB2 GLN 6 5.579 2.765 -5.813 54 HB3 GLN 6 HB3 GLN 6 6.537 4.073 -6.495 55 HG2 GLN 6 HG2 GLN 6 4.760 5.344 -6.076 56 HG3 GLN 6 HG3 GLN 6 4.066 4.599 -7.516 57 HE21 GLN 6 HE21 GLN 6 4.403 4.077 -4.028 58 HE22 GLN 6 HE22 GLN 6 2.834 3.389 -3.804 59 H THR 7 H THR 7 8.250 2.734 -7.761 60 HA THR 7 HA THR 7 8.837 4.910 -9.483 61 HB THR 7 HB THR 7 10.353 4.214 -7.665 62 HG1 THR 7 HG1 THR 7 11.098 5.323 -9.650 63 HG21 THR 7 HG21 THR 7 11.243 2.160 -7.476 64 HG22 THR 7 HG22 THR 7 11.608 2.060 -9.199 65 HG23 THR 7 HG23 THR 7 9.990 1.670 -8.616 66 H GLU 8 H GLU 8 8.570 1.455 -9.955 67 HA GLU 8 HA GLU 8 9.932 1.143 -12.354 68 HB2 GLU 8 HB2 GLU 8 8.121 -0.384 -10.776 69 HB3 GLU 8 HB3 GLU 8 7.568 -0.451 -12.444 70 HG2 GLU 8 HG2 GLU 8 10.446 -0.927 -11.850 71 HG3 GLU 8 HG3 GLU 8 9.272 -2.202 -11.526 72 H TYR 9 H TYR 9 6.845 2.604 -11.706 73 HA TYR 9 HA TYR 9 6.064 2.649 -14.496 74 HB2 TYR 9 HB2 TYR 9 4.787 3.183 -11.926 75 HB3 TYR 9 HB3 TYR 9 4.367 4.374 -13.151 76 HD1 TYR 9 HD2 TYR 9 4.791 0.657 -12.988 77 HD2 TYR 9 HD1 TYR 9 2.421 3.940 -14.294 78 HE1 TYR 9 HE2 TYR 9 3.155 -0.912 -13.944 79 HE2 TYR 9 HE1 TYR 9 0.777 2.381 -15.252 80 HH TYR 9 HH TYR 9 1.264 -1.136 -15.078 81 H TYR 10 H TYR 10 7.090 4.975 -12.023 82 HA TYR 10 HA TYR 10 6.920 7.278 -13.626 83 HB2 TYR 10 HB2 TYR 10 8.845 6.818 -11.343 84 HB3 TYR 10 HB3 TYR 10 8.257 8.366 -11.940 85 HD1 TYR 10 HD1 TYR 10 5.366 7.808 -12.217 86 HD2 TYR 10 HD2 TYR 10 8.096 6.735 -9.135 87 HE1 TYR 10 HE1 TYR 10 3.507 7.726 -10.608 88 HE2 TYR 10 HE2 TYR 10 6.245 6.648 -7.517 89 HH TYR 10 HH TYR 10 3.331 8.007 -7.985 90 H ASP 11 H ASP 11 9.382 4.825 -13.294 91 HA ASP 11 HA ASP 11 11.590 6.114 -14.366 92 HB2 ASP 11 HB2 ASP 11 11.260 3.673 -13.434 93 HB3 ASP 11 HB3 ASP 11 11.026 3.277 -15.134 94 H VAL 12 H VAL 12 8.786 4.753 -15.975 95 HA VAL 12 HA VAL 12 9.927 5.282 -18.608 96 HB VAL 12 HB VAL 12 7.239 4.114 -17.874 97 HG11 VAL 12 HG11 VAL 12 8.664 4.306 -20.525 98 HG12 VAL 12 HG12 VAL 12 7.181 3.395 -20.233 99 HG13 VAL 12 HG13 VAL 12 7.188 5.151 -20.060 100 HG21 VAL 12 HG21 VAL 12 8.421 2.293 -17.356 101 HG22 VAL 12 HG22 VAL 12 8.752 2.148 -19.082 102 HG23 VAL 12 HG23 VAL 12 9.906 2.967 -18.029 103 H MET 13 H MET 13 7.611 6.589 -16.365 104 HA MET 13 HA MET 13 6.697 8.533 -18.364 105 HB2 MET 13 HB2 MET 13 5.053 7.202 -16.940 106 HB3 MET 13 HB3 MET 13 5.600 8.174 -15.580 107 HG2 MET 13 HG2 MET 13 5.016 10.173 -17.157 108 HG3 MET 13 HG3 MET 13 4.008 8.973 -17.963 109 HE1 MET 13 HE1 MET 13 3.891 10.760 -13.896 110 HE2 MET 13 HE2 MET 13 4.067 9.028 -13.614 111 HE3 MET 13 HE3 MET 13 5.238 9.881 -14.620 112 H THR 14 H THR 14 9.344 8.685 -17.248 113 HA THR 14 HA THR 14 9.281 10.839 -15.306 114 HB THR 14 HB THR 14 11.022 8.979 -15.318 115 HG1 THR 14 HG1 THR 14 11.195 11.099 -14.227 116 HG21 THR 14 HG21 THR 14 12.340 10.675 -17.430 117 HG22 THR 14 HG22 THR 14 11.437 9.208 -17.808 118 HG23 THR 14 HG23 THR 14 12.875 9.121 -16.791 119 H VAL 15 H VAL 15 8.911 10.656 -18.580 120 HA VAL 15 HA VAL 15 10.380 13.099 -19.203 121 HB VAL 15 HB VAL 15 8.661 11.440 -21.049 122 HG11 VAL 15 HG11 VAL 15 10.509 13.754 -21.406 123 HG12 VAL 15 HG12 VAL 15 10.350 12.566 -22.701 124 HG13 VAL 15 HG13 VAL 15 8.933 13.450 -22.134 125 HG21 VAL 15 HG21 VAL 15 11.475 11.121 -20.148 126 HG22 VAL 15 HG22 VAL 15 10.275 9.897 -20.562 127 HG23 VAL 15 HG23 VAL 15 11.100 10.790 -21.840 128 H ILE 16 H ILE 16 7.562 12.487 -17.752 129 HA ILE 16 HA ILE 16 6.388 14.993 -18.699 130 HB ILE 16 HB ILE 16 4.640 12.580 -18.283 131 HG12 ILE 16 HG12 ILE 16 4.526 12.865 -20.934 132 HG13 ILE 16 HG13 ILE 16 6.174 13.432 -20.690 133 HG21 ILE 16 HG21 ILE 16 3.197 14.090 -19.849 134 HG22 ILE 16 HG22 ILE 16 3.299 14.444 -18.125 135 HG23 ILE 16 HG23 ILE 16 4.266 15.369 -19.274 136 HD11 ILE 16 HD11 ILE 16 5.761 10.944 -21.202 137 HD12 ILE 16 HD12 ILE 16 6.901 11.375 -19.928 138 HD13 ILE 16 HD13 ILE 16 5.273 10.841 -19.511 139 H SER 17 H SER 17 7.542 13.300 -16.208 140 HA SER 17 HA SER 17 5.521 14.163 -14.268 141 HB2 SER 17 HB2 SER 17 7.472 11.992 -14.383 142 HB3 SER 17 HB3 SER 17 7.509 12.857 -12.846 143 HG SER 17 HG SER 17 5.026 12.577 -13.190 144 HA PRO 18 HA PRO 18 9.452 16.198 -12.409 145 HB2 PRO 18 HB2 PRO 18 11.828 15.798 -13.660 146 HB3 PRO 18 HB3 PRO 18 11.201 14.708 -12.417 147 HG2 PRO 18 HG2 PRO 18 11.121 14.429 -15.397 148 HG3 PRO 18 HG3 PRO 18 11.488 13.204 -14.168 149 HD2 PRO 18 HD2 PRO 18 9.067 13.386 -15.366 150 HD3 PRO 18 HD3 PRO 18 9.264 12.837 -13.690 151 HA PRO 19 HA PRO 19 10.483 18.466 -16.617 152 HB2 PRO 19 HB2 PRO 19 8.805 17.793 -18.642 153 HB3 PRO 19 HB3 PRO 19 10.353 16.985 -18.368 154 HG2 PRO 19 HG2 PRO 19 7.597 16.110 -17.594 155 HG3 PRO 19 HG3 PRO 19 8.920 15.155 -18.287 156 HD2 PRO 19 HD2 PRO 19 8.325 15.120 -15.645 157 HD3 PRO 19 HD3 PRO 19 9.981 14.919 -16.254 158 H GLU 20 H GLU 20 7.413 17.669 -15.272 159 HA GLU 20 HA GLU 20 6.036 19.972 -16.337 160 HB2 GLU 20 HB2 GLU 20 5.316 17.562 -14.954 161 HB3 GLU 20 HB3 GLU 20 4.637 18.944 -14.106 162 HG2 GLU 20 HG2 GLU 20 3.584 19.701 -16.173 163 HG3 GLU 20 HG3 GLU 20 4.267 18.318 -17.026 164 H PHE 21 H PHE 21 8.050 19.278 -13.658 165 HA PHE 21 HA PHE 21 7.112 21.078 -11.742 166 HB2 PHE 21 HB2 PHE 21 9.320 19.378 -12.024 167 HB3 PHE 21 HB3 PHE 21 10.005 20.982 -11.786 168 HD1 PHE 21 HD1 PHE 21 8.113 22.233 -9.967 169 HD2 PHE 21 HD2 PHE 21 9.601 18.246 -10.034 170 HE1 PHE 21 HE1 PHE 21 7.711 22.047 -7.547 171 HE2 PHE 21 HE2 PHE 21 9.200 18.052 -7.614 172 HZ PHE 21 HZ PHE 21 8.254 19.954 -6.367 173 H GLY 22 H GLY 22 9.097 21.578 -14.593 174 HA2 GLY 22 HA2 GLY 22 9.908 23.486 -15.584 175 HA3 GLY 22 HA3 GLY 22 8.456 24.244 -14.946 Start of MODEL 10 1 H1 TRP 1 H TRP 1 1.475 4.196 -0.413 2 HA TRP 1 HA TRP 1 4.032 5.070 0.496 3 HB2 TRP 1 HB2 TRP 1 1.826 3.429 1.720 4 HB3 TRP 1 HB3 TRP 1 3.364 3.651 2.550 5 HD1 TRP 1 HD1 TRP 1 2.350 6.689 0.637 6 HE1 TRP 1 HE1 TRP 1 1.453 8.485 2.247 7 HE3 TRP 1 HE3 TRP 1 1.907 3.843 4.861 8 HZ2 TRP 1 HZ2 TRP 1 0.662 8.671 4.951 9 HZ3 TRP 1 HZ3 TRP 1 1.073 4.907 6.917 10 HH2 TRP 1 HH2 TRP 1 0.464 7.271 6.959 11 H ARG 2 H ARG 2 4.164 3.252 -1.741 12 HA ARG 2 HA ARG 2 6.061 1.364 -0.620 13 HB2 ARG 2 HB2 ARG 2 5.060 -0.538 -1.907 14 HB3 ARG 2 HB3 ARG 2 4.089 0.010 -0.547 15 HG2 ARG 2 HG2 ARG 2 3.321 1.434 -2.907 16 HG3 ARG 2 HG3 ARG 2 3.299 -0.303 -3.219 17 HD2 ARG 2 HD2 ARG 2 2.101 -0.294 -0.835 18 HD3 ARG 2 HD3 ARG 2 1.651 1.325 -1.370 19 HE ARG 2 HE ARG 2 1.069 -0.328 -3.483 20 HH11 ARG 2 HH11 ARG 2 0.132 -0.111 -0.138 21 HH12 ARG 2 HH12 ARG 2 -1.442 -0.785 -0.400 22 HH21 ARG 2 HH21 ARG 2 -1.001 -1.217 -3.841 23 HH22 ARG 2 HH22 ARG 2 -2.085 -1.415 -2.506 24 HA PRO 3 HA PRO 3 7.227 3.318 -4.690 25 HB2 PRO 3 HB2 PRO 3 9.641 4.228 -3.845 26 HB3 PRO 3 HB3 PRO 3 8.147 5.156 -3.664 27 HG2 PRO 3 HG2 PRO 3 9.588 3.473 -1.650 28 HG3 PRO 3 HG3 PRO 3 8.842 5.069 -1.446 29 HD2 PRO 3 HD2 PRO 3 7.631 2.782 -0.647 30 HD3 PRO 3 HD3 PRO 3 6.722 4.190 -1.233 31 H TYR 4 H TYR 4 7.304 1.026 -5.298 32 HA TYR 4 HA TYR 4 10.077 0.058 -5.373 33 HB2 TYR 4 HB2 TYR 4 7.686 -1.746 -4.968 34 HB3 TYR 4 HB3 TYR 4 9.382 -2.216 -4.973 35 HD1 TYR 4 HD2 TYR 4 10.864 -0.960 -3.165 36 HD2 TYR 4 HD1 TYR 4 6.643 -1.445 -2.930 37 HE1 TYR 4 HE2 TYR 4 10.967 -0.628 -0.730 38 HE2 TYR 4 HE1 TYR 4 6.735 -1.114 -0.495 39 HH TYR 4 HH TYR 4 9.451 -1.354 1.292 40 H LEU 5 H LEU 5 6.909 -0.994 -6.629 41 HA LEU 5 HA LEU 5 8.038 -1.650 -9.182 42 HB2 LEU 5 HB2 LEU 5 6.098 -2.720 -9.591 43 HB3 LEU 5 HB3 LEU 5 5.924 -2.581 -7.843 44 HG LEU 5 HG LEU 5 4.697 -0.325 -8.532 45 HD11 LEU 5 HD11 LEU 5 3.823 -0.217 -10.609 46 HD12 LEU 5 HD12 LEU 5 3.672 -1.967 -10.758 47 HD13 LEU 5 HD13 LEU 5 5.236 -1.193 -11.012 48 HD21 LEU 5 HD21 LEU 5 3.812 -2.265 -7.232 49 HD22 LEU 5 HD22 LEU 5 3.339 -3.006 -8.761 50 HD23 LEU 5 HD23 LEU 5 2.619 -1.474 -8.263 51 H GLN 6 H GLN 6 6.520 1.114 -7.778 52 HA GLN 6 HA GLN 6 5.459 2.396 -9.999 53 HB2 GLN 6 HB2 GLN 6 6.800 3.542 -7.549 54 HB3 GLN 6 HB3 GLN 6 5.951 4.521 -8.738 55 HG2 GLN 6 HG2 GLN 6 4.599 2.229 -7.368 56 HG3 GLN 6 HG3 GLN 6 4.707 3.819 -6.613 57 HE21 GLN 6 HE21 GLN 6 2.931 1.861 -8.642 58 HE22 GLN 6 HE22 GLN 6 1.908 3.062 -9.346 59 H THR 7 H THR 7 8.713 2.868 -8.614 60 HA THR 7 HA THR 7 9.729 4.555 -10.558 61 HB THR 7 HB THR 7 10.883 3.994 -8.425 62 HG1 THR 7 HG1 THR 7 12.985 4.049 -9.384 63 HG21 THR 7 HG21 THR 7 11.680 1.949 -7.934 64 HG22 THR 7 HG22 THR 7 12.278 1.686 -9.572 65 HG23 THR 7 HG23 THR 7 10.582 1.389 -9.194 66 H GLU 8 H GLU 8 9.197 1.120 -10.674 67 HA GLU 8 HA GLU 8 10.917 0.420 -12.766 68 HB2 GLU 8 HB2 GLU 8 9.025 -0.884 -11.221 69 HB3 GLU 8 HB3 GLU 8 8.355 -0.975 -12.844 70 HG2 GLU 8 HG2 GLU 8 10.311 -2.068 -13.667 71 HG3 GLU 8 HG3 GLU 8 11.157 -1.809 -12.142 72 H TYR 9 H TYR 9 8.035 2.277 -12.767 73 HA TYR 9 HA TYR 9 7.782 2.030 -15.685 74 HB2 TYR 9 HB2 TYR 9 5.876 2.446 -13.507 75 HB3 TYR 9 HB3 TYR 9 5.660 3.583 -14.834 76 HD1 TYR 9 HD1 TYR 9 5.861 2.349 -17.249 77 HD2 TYR 9 HD2 TYR 9 4.606 0.533 -13.612 78 HE1 TYR 9 HE1 TYR 9 4.654 0.631 -18.531 79 HE2 TYR 9 HE2 TYR 9 3.397 -1.191 -14.883 80 HH TYR 9 HH TYR 9 3.873 -1.757 -18.127 81 H TYR 10 H TYR 10 8.819 4.116 -13.187 82 HA TYR 10 HA TYR 10 8.369 6.651 -14.170 83 HB2 TYR 10 HB2 TYR 10 10.538 5.433 -12.521 84 HB3 TYR 10 HB3 TYR 10 10.763 7.073 -13.118 85 HD1 TYR 10 HD1 TYR 10 7.619 5.438 -11.985 86 HD2 TYR 10 HD2 TYR 10 10.583 8.386 -11.192 87 HE1 TYR 10 HE1 TYR 10 6.259 6.296 -10.124 88 HE2 TYR 10 HE2 TYR 10 9.232 9.251 -9.328 89 HH TYR 10 HH TYR 10 6.106 7.784 -8.488 90 H ASP 11 H ASP 11 10.862 4.336 -15.103 91 HA ASP 11 HA ASP 11 12.487 5.924 -16.671 92 HB2 ASP 11 HB2 ASP 11 11.909 3.075 -16.442 93 HB3 ASP 11 HB3 ASP 11 12.354 3.540 -18.082 94 H VAL 12 H VAL 12 9.302 4.673 -17.356 95 HA VAL 12 HA VAL 12 9.438 5.696 -20.103 96 HB VAL 12 HB VAL 12 7.219 4.083 -18.842 97 HG11 VAL 12 HG11 VAL 12 7.594 5.374 -21.415 98 HG12 VAL 12 HG12 VAL 12 7.258 3.648 -21.572 99 HG13 VAL 12 HG13 VAL 12 6.136 4.689 -20.695 100 HG21 VAL 12 HG21 VAL 12 8.278 2.261 -20.360 101 HG22 VAL 12 HG22 VAL 12 9.735 3.245 -20.226 102 HG23 VAL 12 HG23 VAL 12 8.982 2.584 -18.775 103 H MET 13 H MET 13 7.979 6.266 -17.005 104 HA MET 13 HA MET 13 6.217 8.316 -18.147 105 HB2 MET 13 HB2 MET 13 5.342 6.546 -16.534 106 HB3 MET 13 HB3 MET 13 6.256 7.378 -15.283 107 HG2 MET 13 HG2 MET 13 4.951 9.473 -16.139 108 HG3 MET 13 HG3 MET 13 3.834 8.263 -16.768 109 HE1 MET 13 HE1 MET 13 6.114 8.844 -13.943 110 HE2 MET 13 HE2 MET 13 5.050 9.383 -12.644 111 HE3 MET 13 HE3 MET 13 5.478 7.677 -12.783 112 H THR 14 H THR 14 9.062 8.716 -18.004 113 HA THR 14 HA THR 14 9.515 10.520 -15.777 114 HB THR 14 HB THR 14 11.295 8.981 -16.750 115 HG1 THR 14 HG1 THR 14 11.704 10.853 -15.377 116 HG21 THR 14 HG21 THR 14 12.391 9.525 -18.738 117 HG22 THR 14 HG22 THR 14 11.703 11.149 -18.784 118 HG23 THR 14 HG23 THR 14 10.689 9.751 -19.141 119 H VAL 15 H VAL 15 7.989 10.770 -18.692 120 HA VAL 15 HA VAL 15 8.891 13.480 -19.291 121 HB VAL 15 HB VAL 15 6.778 11.864 -20.720 122 HG11 VAL 15 HG11 VAL 15 8.141 14.468 -21.231 123 HG12 VAL 15 HG12 VAL 15 7.631 13.475 -22.598 124 HG13 VAL 15 HG13 VAL 15 6.443 14.030 -21.417 125 HG21 VAL 15 HG21 VAL 15 8.785 10.605 -20.880 126 HG22 VAL 15 HG22 VAL 15 8.612 11.476 -22.404 127 HG23 VAL 15 HG23 VAL 15 9.748 12.052 -21.184 128 H ILE 16 H ILE 16 6.872 12.222 -17.110 129 HA ILE 16 HA ILE 16 5.203 14.623 -17.085 130 HB ILE 16 HB ILE 16 3.964 11.929 -16.573 131 HG12 ILE 16 HG12 ILE 16 2.859 12.583 -18.913 132 HG13 ILE 16 HG13 ILE 16 4.421 13.361 -19.145 133 HG21 ILE 16 HG21 ILE 16 2.507 13.399 -15.651 134 HG22 ILE 16 HG22 ILE 16 3.050 14.739 -16.659 135 HG23 ILE 16 HG23 ILE 16 1.955 13.525 -17.321 136 HD11 ILE 16 HD11 ILE 16 4.945 11.342 -19.989 137 HD12 ILE 16 HD12 ILE 16 5.248 10.968 -18.292 138 HD13 ILE 16 HD13 ILE 16 3.720 10.503 -19.039 139 H SER 17 H SER 17 7.343 12.783 -15.526 140 HA SER 17 HA SER 17 6.103 13.017 -12.880 141 HB2 SER 17 HB2 SER 17 8.071 11.223 -14.081 142 HB3 SER 17 HB3 SER 17 8.587 11.844 -12.513 143 HG SER 17 HG SER 17 6.190 11.230 -12.028 144 HA PRO 18 HA PRO 18 10.232 15.348 -12.127 145 HB2 PRO 18 HB2 PRO 18 12.010 15.519 -14.171 146 HB3 PRO 18 HB3 PRO 18 11.988 14.171 -13.028 147 HG2 PRO 18 HG2 PRO 18 10.847 14.329 -15.791 148 HG3 PRO 18 HG3 PRO 18 11.753 13.009 -15.028 149 HD2 PRO 18 HD2 PRO 18 9.055 12.982 -15.260 150 HD3 PRO 18 HD3 PRO 18 9.904 12.228 -13.895 151 HA PRO 19 HA PRO 19 9.430 18.351 -15.902 152 HB2 PRO 19 HB2 PRO 19 7.197 17.729 -17.317 153 HB3 PRO 19 HB3 PRO 19 8.807 17.144 -17.755 154 HG2 PRO 19 HG2 PRO 19 6.621 15.740 -16.268 155 HG3 PRO 19 HG3 PRO 19 7.682 15.120 -17.546 156 HD2 PRO 19 HD2 PRO 19 8.103 14.599 -14.922 157 HD3 PRO 19 HD3 PRO 19 9.431 14.754 -16.090 158 H GLU 20 H GLU 20 7.155 16.887 -13.768 159 HA GLU 20 HA GLU 20 5.274 19.076 -13.823 160 HB2 GLU 20 HB2 GLU 20 5.342 16.404 -12.775 161 HB3 GLU 20 HB3 GLU 20 4.893 17.520 -11.493 162 HG2 GLU 20 HG2 GLU 20 3.458 18.180 -13.874 163 HG3 GLU 20 HG3 GLU 20 3.265 16.464 -13.520 164 H PHE 21 H PHE 21 8.185 18.318 -12.190 165 HA PHE 21 HA PHE 21 7.850 19.643 -9.756 166 HB2 PHE 21 HB2 PHE 21 9.951 18.373 -11.106 167 HB3 PHE 21 HB3 PHE 21 10.521 20.012 -10.809 168 HD1 PHE 21 HD1 PHE 21 8.701 17.313 -8.981 169 HD2 PHE 21 HD2 PHE 21 11.662 20.368 -8.857 170 HE1 PHE 21 HE1 PHE 21 9.231 16.701 -6.658 171 HE2 PHE 21 HE2 PHE 21 12.197 19.761 -6.534 172 HZ PHE 21 HZ PHE 21 10.981 17.925 -5.431 173 H GLY 22 H GLY 22 8.558 20.868 -12.962 174 HA2 GLY 22 HA2 GLY 22 8.760 23.005 -13.782 175 HA3 GLY 22 HA3 GLY 22 7.604 23.426 -12.526 Start of MODEL 11 1 H1 TRP 1 H TRP 1 6.213 -1.123 3.545 2 HA TRP 1 HA TRP 1 4.108 -0.825 2.532 3 HB2 TRP 1 HB2 TRP 1 3.919 1.414 4.540 4 HB3 TRP 1 HB3 TRP 1 2.784 1.269 3.202 5 HD1 TRP 1 HD1 TRP 1 3.101 -2.141 3.729 6 HE1 TRP 1 HE1 TRP 1 1.483 -3.091 5.490 7 HE3 TRP 1 HE3 TRP 1 1.824 2.210 6.089 8 HZ2 TRP 1 HZ2 TRP 1 -0.123 -2.125 7.600 9 HZ3 TRP 1 HZ3 TRP 1 0.240 2.111 7.970 10 HH2 TRP 1 HH2 TRP 1 -0.713 -0.013 8.708 11 H ARG 2 H ARG 2 5.985 -0.485 1.003 12 HA ARG 2 HA ARG 2 5.965 2.294 0.021 13 HB2 ARG 2 HB2 ARG 2 8.226 1.610 -1.025 14 HB3 ARG 2 HB3 ARG 2 8.175 1.978 0.694 15 HG2 ARG 2 HG2 ARG 2 7.786 -0.846 -0.124 16 HG3 ARG 2 HG3 ARG 2 9.406 -0.159 -0.254 17 HD2 ARG 2 HD2 ARG 2 8.788 0.694 2.198 18 HD3 ARG 2 HD3 ARG 2 7.768 -0.743 2.146 19 HE ARG 2 HE ARG 2 9.648 -2.015 2.359 20 HH11 ARG 2 HH11 ARG 2 10.566 1.142 1.214 21 HH12 ARG 2 HH12 ARG 2 12.267 0.828 1.316 22 HH21 ARG 2 HH21 ARG 2 11.885 -2.441 2.497 23 HH22 ARG 2 HH22 ARG 2 13.016 -1.211 2.045 24 HA PRO 3 HA PRO 3 4.437 0.874 -3.839 25 HB2 PRO 3 HB2 PRO 3 5.719 2.512 -5.584 26 HB3 PRO 3 HB3 PRO 3 4.423 3.069 -4.520 27 HG2 PRO 3 HG2 PRO 3 7.387 3.328 -4.190 28 HG3 PRO 3 HG3 PRO 3 6.118 4.531 -3.892 29 HD2 PRO 3 HD2 PRO 3 7.274 3.107 -1.899 30 HD3 PRO 3 HD3 PRO 3 5.581 3.639 -1.835 31 H TYR 4 H TYR 4 4.977 -0.210 -5.817 32 HA TYR 4 HA TYR 4 7.762 -1.122 -6.028 33 HB2 TYR 4 HB2 TYR 4 5.382 -2.963 -6.298 34 HB3 TYR 4 HB3 TYR 4 7.084 -3.411 -6.326 35 HD1 TYR 4 HD2 TYR 4 8.411 -2.634 -4.129 36 HD2 TYR 4 HD1 TYR 4 4.222 -3.349 -4.345 37 HE1 TYR 4 HE2 TYR 4 8.357 -3.013 -1.700 38 HE2 TYR 4 HE1 TYR 4 4.156 -3.729 -1.916 39 HH TYR 4 HH TYR 4 6.976 -4.136 -0.042 40 H LEU 5 H LEU 5 4.634 -1.622 -7.674 41 HA LEU 5 HA LEU 5 5.919 -1.534 -10.257 42 HB2 LEU 5 HB2 LEU 5 4.034 -2.464 -11.068 43 HB3 LEU 5 HB3 LEU 5 3.779 -2.863 -9.371 44 HG LEU 5 HG LEU 5 2.511 -0.526 -9.412 45 HD11 LEU 5 HD11 LEU 5 1.735 0.193 -11.402 46 HD12 LEU 5 HD12 LEU 5 1.627 -1.434 -12.073 47 HD13 LEU 5 HD13 LEU 5 3.183 -0.607 -12.012 48 HD21 LEU 5 HD21 LEU 5 1.232 -3.019 -10.515 49 HD22 LEU 5 HD22 LEU 5 0.467 -1.734 -9.579 50 HD23 LEU 5 HD23 LEU 5 1.645 -2.802 -8.815 51 H GLN 6 H GLN 6 4.244 0.650 -8.171 52 HA GLN 6 HA GLN 6 3.244 2.523 -9.958 53 HB2 GLN 6 HB2 GLN 6 4.312 2.730 -7.162 54 HB3 GLN 6 HB3 GLN 6 3.819 4.177 -8.031 55 HG2 GLN 6 HG2 GLN 6 1.982 1.829 -7.777 56 HG3 GLN 6 HG3 GLN 6 2.125 3.024 -6.488 57 HE21 GLN 6 HE21 GLN 6 1.296 2.561 -9.867 58 HE22 GLN 6 HE22 GLN 6 0.282 3.953 -10.004 59 H THR 7 H THR 7 6.460 2.456 -8.429 60 HA THR 7 HA THR 7 7.480 4.718 -9.744 61 HB THR 7 HB THR 7 8.556 3.748 -7.759 62 HG1 THR 7 HG1 THR 7 9.961 5.001 -8.870 63 HG21 THR 7 HG21 THR 7 9.310 1.634 -7.621 64 HG22 THR 7 HG22 THR 7 10.011 1.679 -9.239 65 HG23 THR 7 HG23 THR 7 8.293 1.341 -9.031 66 H GLU 8 H GLU 8 7.267 1.355 -10.697 67 HA GLU 8 HA GLU 8 9.097 1.249 -12.766 68 HB2 GLU 8 HB2 GLU 8 6.926 -0.330 -11.844 69 HB3 GLU 8 HB3 GLU 8 6.730 -0.134 -13.580 70 HG2 GLU 8 HG2 GLU 8 9.427 -0.705 -13.235 71 HG3 GLU 8 HG3 GLU 8 8.589 -1.770 -12.108 72 H TYR 9 H TYR 9 5.997 2.825 -12.638 73 HA TYR 9 HA TYR 9 5.853 3.256 -15.490 74 HB2 TYR 9 HB2 TYR 9 4.087 3.564 -13.218 75 HB3 TYR 9 HB3 TYR 9 4.066 5.007 -14.226 76 HD1 TYR 9 HD2 TYR 9 3.917 4.461 -16.845 77 HD2 TYR 9 HD1 TYR 9 2.579 1.898 -13.724 78 HE1 TYR 9 HE2 TYR 9 2.399 3.341 -18.423 79 HE2 TYR 9 HE1 TYR 9 1.058 0.770 -15.293 80 HH TYR 9 HH TYR 9 -0.114 1.421 -17.509 81 H TYR 10 H TYR 10 6.480 5.229 -12.607 82 HA TYR 10 HA TYR 10 6.836 7.677 -13.942 83 HB2 TYR 10 HB2 TYR 10 8.166 6.814 -11.368 84 HB3 TYR 10 HB3 TYR 10 7.861 8.464 -11.899 85 HD1 TYR 10 HD2 TYR 10 5.069 8.247 -12.851 86 HD2 TYR 10 HD1 TYR 10 6.935 6.612 -9.395 87 HE1 TYR 10 HE2 TYR 10 2.897 8.222 -11.697 88 HE2 TYR 10 HE1 TYR 10 4.768 6.581 -8.232 89 HH TYR 10 HH TYR 10 2.302 8.256 -8.892 90 H ASP 11 H ASP 11 8.968 4.971 -13.408 91 HA ASP 11 HA ASP 11 11.442 6.177 -13.866 92 HB2 ASP 11 HB2 ASP 11 10.830 3.736 -13.163 93 HB3 ASP 11 HB3 ASP 11 10.848 3.423 -14.896 94 H VAL 12 H VAL 12 9.124 4.789 -16.161 95 HA VAL 12 HA VAL 12 10.770 5.496 -18.432 96 HB VAL 12 HB VAL 12 7.938 4.442 -18.369 97 HG11 VAL 12 HG11 VAL 12 9.814 5.154 -20.545 98 HG12 VAL 12 HG12 VAL 12 8.884 3.668 -20.744 99 HG13 VAL 12 HG13 VAL 12 8.052 5.204 -20.503 100 HG21 VAL 12 HG21 VAL 12 9.047 2.651 -17.515 101 HG22 VAL 12 HG22 VAL 12 9.364 2.361 -19.226 102 HG23 VAL 12 HG23 VAL 12 10.592 3.129 -18.220 103 H MET 13 H MET 13 8.104 6.837 -16.657 104 HA MET 13 HA MET 13 7.697 8.895 -18.709 105 HB2 MET 13 HB2 MET 13 5.744 7.605 -17.696 106 HB3 MET 13 HB3 MET 13 6.052 8.500 -16.214 107 HG2 MET 13 HG2 MET 13 5.885 10.579 -17.786 108 HG3 MET 13 HG3 MET 13 5.007 9.463 -18.829 109 HE1 MET 13 HE1 MET 13 5.579 10.193 -15.270 110 HE2 MET 13 HE2 MET 13 4.146 11.098 -14.782 111 HE3 MET 13 HE3 MET 13 4.202 9.349 -14.562 112 H THR 14 H THR 14 10.072 8.865 -17.083 113 HA THR 14 HA THR 14 9.722 10.953 -15.100 114 HB THR 14 HB THR 14 11.342 9.007 -14.844 115 HG1 THR 14 HG1 THR 14 12.736 11.443 -14.606 116 HG21 THR 14 HG21 THR 14 13.450 9.084 -15.923 117 HG22 THR 14 HG22 THR 14 13.135 10.688 -16.585 118 HG23 THR 14 HG23 THR 14 12.249 9.291 -17.197 119 H VAL 15 H VAL 15 10.003 10.903 -18.387 120 HA VAL 15 HA VAL 15 11.668 13.293 -18.592 121 HB VAL 15 HB VAL 15 10.313 11.776 -20.823 122 HG11 VAL 15 HG11 VAL 15 12.360 12.875 -22.033 123 HG12 VAL 15 HG12 VAL 15 10.886 13.803 -21.747 124 HG13 VAL 15 HG13 VAL 15 12.282 14.013 -20.688 125 HG21 VAL 15 HG21 VAL 15 12.678 10.883 -21.182 126 HG22 VAL 15 HG22 VAL 15 12.997 11.399 -19.527 127 HG23 VAL 15 HG23 VAL 15 11.750 10.195 -19.850 128 H ILE 16 H ILE 16 8.597 12.771 -17.769 129 HA ILE 16 HA ILE 16 7.734 15.348 -18.848 130 HB ILE 16 HB ILE 16 5.849 13.002 -18.877 131 HG12 ILE 16 HG12 ILE 16 6.285 13.361 -21.485 132 HG13 ILE 16 HG13 ILE 16 7.869 13.853 -20.895 133 HG21 ILE 16 HG21 ILE 16 5.729 15.852 -19.573 134 HG22 ILE 16 HG22 ILE 16 4.997 14.764 -20.752 135 HG23 ILE 16 HG23 ILE 16 4.447 14.747 -19.077 136 HD11 ILE 16 HD11 ILE 16 6.690 11.283 -19.961 137 HD12 ILE 16 HD12 ILE 16 7.425 11.384 -21.561 138 HD13 ILE 16 HD13 ILE 16 8.381 11.753 -20.126 139 H SER 17 H SER 17 8.288 13.535 -16.236 140 HA SER 17 HA SER 17 5.953 14.446 -14.716 141 HB2 SER 17 HB2 SER 17 7.773 12.174 -14.521 142 HB3 SER 17 HB3 SER 17 7.560 12.997 -12.976 143 HG SER 17 HG SER 17 5.975 11.379 -13.317 144 HA PRO 18 HA PRO 18 9.515 16.220 -12.028 145 HB2 PRO 18 HB2 PRO 18 12.074 15.741 -12.798 146 HB3 PRO 18 HB3 PRO 18 11.166 14.646 -11.750 147 HG2 PRO 18 HG2 PRO 18 11.670 14.464 -14.695 148 HG3 PRO 18 HG3 PRO 18 11.732 13.185 -13.469 149 HD2 PRO 18 HD2 PRO 18 9.609 13.525 -15.114 150 HD3 PRO 18 HD3 PRO 18 9.443 12.914 -13.456 151 HA PRO 19 HA PRO 19 11.461 18.565 -15.853 152 HB2 PRO 19 HB2 PRO 19 10.193 18.040 -18.195 153 HB3 PRO 19 HB3 PRO 19 11.619 17.147 -17.654 154 HG2 PRO 19 HG2 PRO 19 8.728 16.388 -17.477 155 HG3 PRO 19 HG3 PRO 19 10.121 15.390 -17.932 156 HD2 PRO 19 HD2 PRO 19 9.011 15.302 -15.464 157 HD3 PRO 19 HD3 PRO 19 10.744 15.037 -15.741 158 H GLU 20 H GLU 20 8.153 17.881 -15.174 159 HA GLU 20 HA GLU 20 7.116 20.282 -16.396 160 HB2 GLU 20 HB2 GLU 20 6.032 17.869 -15.280 161 HB3 GLU 20 HB3 GLU 20 5.259 19.256 -14.527 162 HG2 GLU 20 HG2 GLU 20 5.502 19.485 -17.425 163 HG3 GLU 20 HG3 GLU 20 4.526 18.115 -16.895 164 H PHE 21 H PHE 21 8.525 19.405 -13.403 165 HA PHE 21 HA PHE 21 7.303 21.191 -11.639 166 HB2 PHE 21 HB2 PHE 21 9.448 19.390 -11.547 167 HB3 PHE 21 HB3 PHE 21 10.140 20.950 -11.112 168 HD1 PHE 21 HD1 PHE 21 7.086 18.939 -10.358 169 HD2 PHE 21 HD2 PHE 21 10.167 21.480 -8.887 170 HE1 PHE 21 HE1 PHE 21 6.197 18.690 -8.077 171 HE2 PHE 21 HE2 PHE 21 9.285 21.234 -6.603 172 HZ PHE 21 HZ PHE 21 7.298 19.837 -6.196 173 H GLY 22 H GLY 22 9.826 21.679 -14.027 174 HA2 GLY 22 HA2 GLY 22 10.898 23.572 -14.764 175 HA3 GLY 22 HA3 GLY 22 9.387 24.385 -14.383 Start of MODEL 12 1 H1 TRP 1 H TRP 1 1.753 3.823 0.920 2 HA TRP 1 HA TRP 1 4.086 3.872 1.443 3 HB2 TRP 1 HB2 TRP 1 2.367 3.242 3.329 4 HB3 TRP 1 HB3 TRP 1 3.171 1.676 3.262 5 HD1 TRP 1 HD1 TRP 1 6.016 3.525 2.568 6 HE1 TRP 1 HE1 TRP 1 7.285 4.336 4.656 7 HE3 TRP 1 HE3 TRP 1 2.301 2.980 6.038 8 HZ2 TRP 1 HZ2 TRP 1 6.778 4.695 7.409 9 HZ3 TRP 1 HZ3 TRP 1 2.775 3.579 8.377 10 HH2 TRP 1 HH2 TRP 1 4.968 4.418 9.047 11 H ARG 2 H ARG 2 3.598 1.960 -0.760 12 HA ARG 2 HA ARG 2 5.749 0.048 -0.127 13 HB2 ARG 2 HB2 ARG 2 4.669 -1.438 -1.870 14 HB3 ARG 2 HB3 ARG 2 3.785 -1.259 -0.360 15 HG2 ARG 2 HG2 ARG 2 2.053 -0.206 -1.341 16 HG3 ARG 2 HG3 ARG 2 3.084 0.649 -2.491 17 HD2 ARG 2 HD2 ARG 2 2.869 -0.949 -4.056 18 HD3 ARG 2 HD3 ARG 2 2.982 -2.254 -2.876 19 HE ARG 2 HE ARG 2 0.520 -1.212 -2.434 20 HH11 ARG 2 HH11 ARG 2 2.169 -2.384 -5.267 21 HH12 ARG 2 HH12 ARG 2 0.718 -2.920 -6.050 22 HH21 ARG 2 HH21 ARG 2 -1.397 -1.912 -3.454 23 HH22 ARG 2 HH22 ARG 2 -1.309 -2.650 -5.018 24 HA PRO 3 HA PRO 3 7.074 2.819 -3.613 25 HB2 PRO 3 HB2 PRO 3 9.568 3.250 -2.632 26 HB3 PRO 3 HB3 PRO 3 8.172 4.231 -2.171 27 HG2 PRO 3 HG2 PRO 3 9.453 1.955 -0.708 28 HG3 PRO 3 HG3 PRO 3 8.865 3.503 -0.074 29 HD2 PRO 3 HD2 PRO 3 7.444 1.208 0.138 30 HD3 PRO 3 HD3 PRO 3 6.671 2.798 -0.034 31 H TYR 4 H TYR 4 6.892 0.682 -4.711 32 HA TYR 4 HA TYR 4 9.573 -0.397 -5.223 33 HB2 TYR 4 HB2 TYR 4 7.963 -1.841 -3.704 34 HB3 TYR 4 HB3 TYR 4 7.248 -2.275 -5.253 35 HD1 TYR 4 HD2 TYR 4 8.500 -3.589 -6.878 36 HD2 TYR 4 HD1 TYR 4 10.199 -2.570 -3.112 37 HE1 TYR 4 HE2 TYR 4 10.253 -5.279 -7.218 38 HE2 TYR 4 HE1 TYR 4 11.958 -4.257 -3.443 39 HH TYR 4 HH TYR 4 12.756 -5.852 -4.761 40 H LEU 5 H LEU 5 6.229 -0.911 -6.360 41 HA LEU 5 HA LEU 5 7.115 -1.079 -9.095 42 HB2 LEU 5 HB2 LEU 5 5.089 -1.958 -9.544 43 HB3 LEU 5 HB3 LEU 5 5.073 -2.208 -7.800 44 HG LEU 5 HG LEU 5 3.921 0.189 -7.857 45 HD11 LEU 5 HD11 LEU 5 2.884 0.790 -9.767 46 HD12 LEU 5 HD12 LEU 5 2.610 -0.876 -10.274 47 HD13 LEU 5 HD13 LEU 5 4.192 -0.133 -10.509 48 HD21 LEU 5 HD21 LEU 5 3.070 -2.025 -6.976 49 HD22 LEU 5 HD22 LEU 5 2.340 -2.271 -8.563 50 HD23 LEU 5 HD23 LEU 5 1.846 -0.901 -7.567 51 H GLN 6 H GLN 6 5.870 1.359 -6.991 52 HA GLN 6 HA GLN 6 4.675 3.142 -8.724 53 HB2 GLN 6 HB2 GLN 6 6.404 3.658 -6.305 54 HB3 GLN 6 HB3 GLN 6 5.519 4.926 -7.142 55 HG2 GLN 6 HG2 GLN 6 3.433 3.985 -6.567 56 HG3 GLN 6 HG3 GLN 6 4.180 2.484 -6.023 57 HE21 GLN 6 HE21 GLN 6 3.623 5.844 -5.280 58 HE22 GLN 6 HE22 GLN 6 4.000 5.739 -3.597 59 H THR 7 H THR 7 8.127 2.932 -7.887 60 HA THR 7 HA THR 7 8.947 4.999 -9.641 61 HB THR 7 HB THR 7 10.329 4.245 -7.742 62 HG1 THR 7 HG1 THR 7 11.411 5.316 -9.398 63 HG21 THR 7 HG21 THR 7 9.817 1.708 -8.642 64 HG22 THR 7 HG22 THR 7 11.055 2.138 -7.461 65 HG23 THR 7 HG23 THR 7 11.482 1.961 -9.163 66 H GLU 8 H GLU 8 8.452 1.559 -10.042 67 HA GLU 8 HA GLU 8 9.887 1.107 -12.383 68 HB2 GLU 8 HB2 GLU 8 7.916 -0.269 -10.838 69 HB3 GLU 8 HB3 GLU 8 7.464 -0.373 -12.533 70 HG2 GLU 8 HG2 GLU 8 10.289 -0.882 -12.106 71 HG3 GLU 8 HG3 GLU 8 9.253 -1.996 -11.214 72 H TYR 9 H TYR 9 6.824 2.694 -11.878 73 HA TYR 9 HA TYR 9 6.180 2.739 -14.704 74 HB2 TYR 9 HB2 TYR 9 4.796 3.335 -12.200 75 HB3 TYR 9 HB3 TYR 9 4.465 4.517 -13.461 76 HD1 TYR 9 HD1 TYR 9 3.761 3.559 -15.774 77 HD2 TYR 9 HD2 TYR 9 3.593 1.349 -12.143 78 HE1 TYR 9 HE1 TYR 9 2.130 2.024 -16.791 79 HE2 TYR 9 HE2 TYR 9 1.962 -0.193 -13.150 80 HH TYR 9 HH TYR 9 0.396 0.464 -16.109 81 H TYR 10 H TYR 10 7.179 5.039 -12.199 82 HA TYR 10 HA TYR 10 7.133 7.347 -13.800 83 HB2 TYR 10 HB2 TYR 10 8.956 6.797 -11.451 84 HB3 TYR 10 HB3 TYR 10 8.495 8.376 -12.078 85 HD1 TYR 10 HD1 TYR 10 5.587 8.003 -12.475 86 HD2 TYR 10 HD2 TYR 10 8.110 6.777 -9.276 87 HE1 TYR 10 HE1 TYR 10 3.661 8.051 -10.946 88 HE2 TYR 10 HE2 TYR 10 6.191 6.821 -7.738 89 HH TYR 10 HH TYR 10 2.923 7.541 -8.897 90 H ASP 11 H ASP 11 9.455 4.779 -13.480 91 HA ASP 11 HA ASP 11 11.763 5.982 -14.440 92 HB2 ASP 11 HB2 ASP 11 10.789 3.291 -14.066 93 HB3 ASP 11 HB3 ASP 11 11.710 3.403 -15.563 94 H VAL 12 H VAL 12 9.057 4.571 -16.236 95 HA VAL 12 HA VAL 12 10.270 5.283 -18.781 96 HB VAL 12 HB VAL 12 7.579 4.034 -18.206 97 HG11 VAL 12 HG11 VAL 12 7.293 4.880 -20.320 98 HG12 VAL 12 HG12 VAL 12 9.009 4.763 -20.717 99 HG13 VAL 12 HG13 VAL 12 8.007 3.311 -20.694 100 HG21 VAL 12 HG21 VAL 12 8.966 2.343 -17.579 101 HG22 VAL 12 HG22 VAL 12 8.963 2.054 -19.319 102 HG23 VAL 12 HG23 VAL 12 10.304 2.921 -18.572 103 H MET 13 H MET 13 7.900 6.497 -16.562 104 HA MET 13 HA MET 13 6.975 8.469 -18.528 105 HB2 MET 13 HB2 MET 13 5.339 7.090 -17.140 106 HB3 MET 13 HB3 MET 13 5.865 8.041 -15.758 107 HG2 MET 13 HG2 MET 13 5.265 10.063 -17.299 108 HG3 MET 13 HG3 MET 13 4.280 8.867 -18.138 109 HE1 MET 13 HE1 MET 13 5.470 9.727 -14.766 110 HE2 MET 13 HE2 MET 13 4.100 10.553 -14.024 111 HE3 MET 13 HE3 MET 13 4.313 8.816 -13.795 112 H THR 14 H THR 14 9.613 8.630 -17.387 113 HA THR 14 HA THR 14 9.510 10.745 -15.405 114 HB THR 14 HB THR 14 11.273 8.910 -15.436 115 HG1 THR 14 HG1 THR 14 11.392 11.087 -14.368 116 HG21 THR 14 HG21 THR 14 11.662 9.309 -17.966 117 HG22 THR 14 HG22 THR 14 13.056 8.983 -16.935 118 HG23 THR 14 HG23 THR 14 12.695 10.635 -17.434 119 H VAL 15 H VAL 15 9.163 10.624 -18.683 120 HA VAL 15 HA VAL 15 10.598 13.106 -19.239 121 HB VAL 15 HB VAL 15 8.946 11.447 -21.146 122 HG11 VAL 15 HG11 VAL 15 9.197 13.479 -22.192 123 HG12 VAL 15 HG12 VAL 15 10.753 13.805 -21.425 124 HG13 VAL 15 HG13 VAL 15 10.645 12.637 -22.743 125 HG21 VAL 15 HG21 VAL 15 11.724 11.136 -20.165 126 HG22 VAL 15 HG22 VAL 15 10.571 9.918 -20.711 127 HG23 VAL 15 HG23 VAL 15 11.446 10.896 -21.890 128 H ILE 16 H ILE 16 7.781 12.417 -17.835 129 HA ILE 16 HA ILE 16 6.561 14.906 -18.767 130 HB ILE 16 HB ILE 16 4.864 12.449 -18.398 131 HG12 ILE 16 HG12 ILE 16 4.770 12.763 -21.047 132 HG13 ILE 16 HG13 ILE 16 6.402 13.367 -20.779 133 HG21 ILE 16 HG21 ILE 16 3.508 14.053 -20.066 134 HG22 ILE 16 HG22 ILE 16 3.376 14.147 -18.311 135 HG23 ILE 16 HG23 ILE 16 4.432 15.263 -19.176 136 HD11 ILE 16 HD11 ILE 16 6.880 11.184 -21.115 137 HD12 ILE 16 HD12 ILE 16 6.578 11.120 -19.378 138 HD13 ILE 16 HD13 ILE 16 5.318 10.632 -20.511 139 H SER 17 H SER 17 7.720 13.202 -16.283 140 HA SER 17 HA SER 17 5.662 14.008 -14.357 141 HB2 SER 17 HB2 SER 17 7.632 11.860 -14.480 142 HB3 SER 17 HB3 SER 17 7.663 12.709 -12.935 143 HG SER 17 HG SER 17 6.152 10.979 -12.958 144 HA PRO 18 HA PRO 18 9.547 16.071 -12.429 145 HB2 PRO 18 HB2 PRO 18 11.938 15.731 -13.669 146 HB3 PRO 18 HB3 PRO 18 11.320 14.610 -12.450 147 HG2 PRO 18 HG2 PRO 18 11.265 14.381 -15.434 148 HG3 PRO 18 HG3 PRO 18 11.643 13.142 -14.224 149 HD2 PRO 18 HD2 PRO 18 9.228 13.305 -15.436 150 HD3 PRO 18 HD3 PRO 18 9.422 12.730 -13.767 151 HA PRO 19 HA PRO 19 10.570 18.428 -16.589 152 HB2 PRO 19 HB2 PRO 19 8.918 17.762 -18.638 153 HB3 PRO 19 HB3 PRO 19 10.477 16.974 -18.366 154 HG2 PRO 19 HG2 PRO 19 7.729 16.042 -17.628 155 HG3 PRO 19 HG3 PRO 19 9.074 15.120 -18.327 156 HD2 PRO 19 HD2 PRO 19 8.460 15.031 -15.691 157 HD3 PRO 19 HD3 PRO 19 10.123 14.867 -16.291 158 H GLU 20 H GLU 20 7.499 17.554 -15.290 159 HA GLU 20 HA GLU 20 6.104 19.864 -16.318 160 HB2 GLU 20 HB2 GLU 20 4.733 17.969 -16.002 161 HB3 GLU 20 HB3 GLU 20 5.378 17.668 -14.394 162 HG2 GLU 20 HG2 GLU 20 4.253 19.624 -13.535 163 HG3 GLU 20 HG3 GLU 20 3.673 20.030 -15.149 164 H PHE 21 H PHE 21 8.050 19.095 -13.598 165 HA PHE 21 HA PHE 21 7.059 20.847 -11.666 166 HB2 PHE 21 HB2 PHE 21 9.295 19.166 -11.947 167 HB3 PHE 21 HB3 PHE 21 9.944 20.767 -11.604 168 HD1 PHE 21 HD1 PHE 21 7.996 21.915 -9.798 169 HD2 PHE 21 HD2 PHE 21 9.476 17.930 -10.012 170 HE1 PHE 21 HE1 PHE 21 7.499 21.605 -7.408 171 HE2 PHE 21 HE2 PHE 21 8.981 17.614 -7.623 172 HZ PHE 21 HZ PHE 21 7.990 19.452 -6.318 173 H GLY 22 H GLY 22 9.031 21.433 -14.492 174 HA2 GLY 22 HA2 GLY 22 9.851 23.366 -15.424 175 HA3 GLY 22 HA3 GLY 22 8.428 24.122 -14.723 Start of MODEL 13 1 H1 TRP 1 H TRP 1 0.888 0.636 0.638 2 HA TRP 1 HA TRP 1 1.448 0.287 -2.222 3 HB2 TRP 1 HB2 TRP 1 -0.773 1.525 -1.686 4 HB3 TRP 1 HB3 TRP 1 0.273 2.861 -1.213 5 HD1 TRP 1 HD1 TRP 1 2.300 1.769 -3.800 6 HE1 TRP 1 HE1 TRP 1 1.704 2.762 -6.099 7 HE3 TRP 1 HE3 TRP 1 -2.450 3.366 -2.789 8 HZ2 TRP 1 HZ2 TRP 1 -0.488 4.052 -7.322 9 HZ3 TRP 1 HZ3 TRP 1 -3.729 4.471 -4.578 10 HH2 TRP 1 HH2 TRP 1 -2.766 4.806 -6.797 11 H ARG 2 H ARG 2 3.617 0.016 -1.248 12 HA ARG 2 HA ARG 2 4.839 2.503 -0.309 13 HB2 ARG 2 HB2 ARG 2 5.471 -0.375 -0.068 14 HB3 ARG 2 HB3 ARG 2 6.855 0.697 -0.237 15 HG2 ARG 2 HG2 ARG 2 6.728 0.937 1.971 16 HG3 ARG 2 HG3 ARG 2 5.338 1.977 1.653 17 HD2 ARG 2 HD2 ARG 2 4.349 -0.635 1.572 18 HD3 ARG 2 HD3 ARG 2 5.452 -0.597 2.947 19 HE ARG 2 HE ARG 2 3.625 1.622 2.858 20 HH11 ARG 2 HH11 ARG 2 4.103 -1.661 3.913 21 HH12 ARG 2 HH12 ARG 2 2.923 -1.564 5.177 22 HH21 ARG 2 HH21 ARG 2 2.069 1.762 4.520 23 HH22 ARG 2 HH22 ARG 2 1.765 0.383 5.521 24 HA PRO 3 HA PRO 3 6.947 3.421 -4.044 25 HB2 PRO 3 HB2 PRO 3 9.382 4.235 -3.161 26 HB3 PRO 3 HB3 PRO 3 7.913 5.197 -2.953 27 HG2 PRO 3 HG2 PRO 3 9.299 3.408 -0.993 28 HG3 PRO 3 HG3 PRO 3 8.597 5.016 -0.738 29 HD2 PRO 3 HD2 PRO 3 7.321 2.738 -0.020 30 HD3 PRO 3 HD3 PRO 3 6.453 4.189 -0.560 31 H TYR 4 H TYR 4 7.012 1.240 -4.856 32 HA TYR 4 HA TYR 4 9.741 0.170 -4.908 33 HB2 TYR 4 HB2 TYR 4 7.701 -1.052 -3.471 34 HB3 TYR 4 HB3 TYR 4 7.741 -1.947 -4.986 35 HD1 TYR 4 HD1 TYR 4 10.004 -2.883 -5.746 36 HD2 TYR 4 HD2 TYR 4 9.267 -1.495 -1.792 37 HE1 TYR 4 HE1 TYR 4 11.940 -4.169 -4.940 38 HE2 TYR 4 HE2 TYR 4 11.201 -2.776 -0.975 39 HH TYR 4 HH TYR 4 12.568 -5.206 -2.488 40 H LEU 5 H LEU 5 6.542 -0.697 -6.229 41 HA LEU 5 HA LEU 5 7.673 -1.289 -8.802 42 HB2 LEU 5 HB2 LEU 5 5.696 -2.267 -9.281 43 HB3 LEU 5 HB3 LEU 5 5.533 -2.229 -7.526 44 HG LEU 5 HG LEU 5 4.373 0.103 -8.078 45 HD11 LEU 5 HD11 LEU 5 3.476 0.343 -10.137 46 HD12 LEU 5 HD12 LEU 5 3.289 -1.393 -10.381 47 HD13 LEU 5 HD13 LEU 5 4.866 -0.636 -10.604 48 HD21 LEU 5 HD21 LEU 5 2.799 -2.407 -8.532 49 HD22 LEU 5 HD22 LEU 5 2.330 -0.939 -7.675 50 HD23 LEU 5 HD23 LEU 5 3.502 -2.044 -6.956 51 H GLN 6 H GLN 6 6.215 1.451 -7.285 52 HA GLN 6 HA GLN 6 5.200 2.868 -9.435 53 HB2 GLN 6 HB2 GLN 6 6.508 3.737 -6.874 54 HB3 GLN 6 HB3 GLN 6 5.969 4.922 -8.056 55 HG2 GLN 6 HG2 GLN 6 3.769 3.335 -7.820 56 HG3 GLN 6 HG3 GLN 6 4.428 3.291 -6.186 57 HE21 GLN 6 HE21 GLN 6 1.970 4.488 -7.040 58 HE22 GLN 6 HE22 GLN 6 2.074 6.175 -6.679 59 H THR 7 H THR 7 8.493 3.123 -8.088 60 HA THR 7 HA THR 7 9.533 4.851 -10.004 61 HB THR 7 HB THR 7 10.677 4.234 -7.878 62 HG1 THR 7 HG1 THR 7 11.729 5.031 -9.998 63 HG21 THR 7 HG21 THR 7 11.486 2.174 -7.437 64 HG22 THR 7 HG22 THR 7 11.998 1.908 -9.103 65 HG23 THR 7 HG23 THR 7 10.313 1.655 -8.647 66 H GLU 8 H GLU 8 8.906 1.437 -10.163 67 HA GLU 8 HA GLU 8 10.603 0.801 -12.332 68 HB2 GLU 8 HB2 GLU 8 8.676 -0.542 -10.721 69 HB3 GLU 8 HB3 GLU 8 8.265 -0.831 -12.406 70 HG2 GLU 8 HG2 GLU 8 9.718 -2.572 -11.537 71 HG3 GLU 8 HG3 GLU 8 10.504 -1.669 -12.831 72 H TYR 9 H TYR 9 7.730 2.605 -12.152 73 HA TYR 9 HA TYR 9 7.137 2.212 -14.998 74 HB2 TYR 9 HB2 TYR 9 5.540 2.800 -12.658 75 HB3 TYR 9 HB3 TYR 9 5.267 3.998 -13.918 76 HD1 TYR 9 HD1 TYR 9 5.643 0.281 -13.667 77 HD2 TYR 9 HD2 TYR 9 3.528 3.563 -15.358 78 HE1 TYR 9 HE1 TYR 9 4.146 -1.289 -14.826 79 HE2 TYR 9 HE2 TYR 9 2.024 2.002 -16.521 80 HH TYR 9 HH TYR 9 2.528 -1.498 -16.360 81 H TYR 10 H TYR 10 8.566 4.417 -12.801 82 HA TYR 10 HA TYR 10 8.149 6.888 -13.948 83 HB2 TYR 10 HB2 TYR 10 10.423 5.675 -12.437 84 HB3 TYR 10 HB3 TYR 10 10.656 7.251 -13.184 85 HD1 TYR 10 HD2 TYR 10 7.631 5.823 -11.539 86 HD2 TYR 10 HD1 TYR 10 10.701 8.766 -11.418 87 HE1 TYR 10 HE2 TYR 10 6.524 6.891 -9.621 88 HE2 TYR 10 HE1 TYR 10 9.603 9.841 -9.497 89 HH TYR 10 HH TYR 10 6.564 9.444 -8.659 90 H ASP 11 H ASP 11 10.322 4.319 -14.971 91 HA ASP 11 HA ASP 11 11.905 5.653 -16.800 92 HB2 ASP 11 HB2 ASP 11 11.806 3.121 -16.050 93 HB3 ASP 11 HB3 ASP 11 10.853 2.951 -17.521 94 H VAL 12 H VAL 12 8.566 4.667 -17.071 95 HA VAL 12 HA VAL 12 8.492 5.555 -19.868 96 HB VAL 12 HB VAL 12 6.379 4.089 -18.282 97 HG11 VAL 12 HG11 VAL 12 5.271 5.299 -19.970 98 HG12 VAL 12 HG12 VAL 12 6.537 4.965 -21.153 99 HG13 VAL 12 HG13 VAL 12 5.465 3.670 -20.617 100 HG21 VAL 12 HG21 VAL 12 7.406 2.567 -20.448 101 HG22 VAL 12 HG22 VAL 12 8.770 3.146 -19.491 102 HG23 VAL 12 HG23 VAL 12 7.486 2.214 -18.721 103 H MET 13 H MET 13 7.436 6.369 -16.671 104 HA MET 13 HA MET 13 5.683 8.478 -17.716 105 HB2 MET 13 HB2 MET 13 4.895 6.853 -15.915 106 HB3 MET 13 HB3 MET 13 6.003 7.679 -14.827 107 HG2 MET 13 HG2 MET 13 4.741 9.816 -15.642 108 HG3 MET 13 HG3 MET 13 3.483 8.658 -16.070 109 HE1 MET 13 HE1 MET 13 5.249 9.883 -12.180 110 HE2 MET 13 HE2 MET 13 5.547 8.148 -12.276 111 HE3 MET 13 HE3 MET 13 6.114 9.213 -13.563 112 H THR 14 H THR 14 8.539 8.693 -17.931 113 HA THR 14 HA THR 14 9.370 10.563 -15.874 114 HB THR 14 HB THR 14 10.921 8.862 -16.966 115 HG1 THR 14 HG1 THR 14 11.587 10.792 -15.758 116 HG21 THR 14 HG21 THR 14 10.074 9.578 -19.307 117 HG22 THR 14 HG22 THR 14 11.789 9.227 -19.096 118 HG23 THR 14 HG23 THR 14 11.231 10.899 -19.143 119 H VAL 15 H VAL 15 7.524 10.779 -18.602 120 HA VAL 15 HA VAL 15 8.512 13.390 -19.448 121 HB VAL 15 HB VAL 15 6.147 11.857 -20.531 122 HG11 VAL 15 HG11 VAL 15 6.869 13.314 -22.581 123 HG12 VAL 15 HG12 VAL 15 5.869 14.007 -21.302 124 HG13 VAL 15 HG13 VAL 15 7.603 14.332 -21.342 125 HG21 VAL 15 HG21 VAL 15 9.064 11.688 -21.138 126 HG22 VAL 15 HG22 VAL 15 7.865 10.400 -21.017 127 HG23 VAL 15 HG23 VAL 15 7.894 11.449 -22.435 128 H ILE 16 H ILE 16 6.695 12.375 -16.981 129 HA ILE 16 HA ILE 16 5.192 14.882 -16.894 130 HB ILE 16 HB ILE 16 3.861 12.304 -16.094 131 HG12 ILE 16 HG12 ILE 16 2.525 12.922 -18.320 132 HG13 ILE 16 HG13 ILE 16 4.092 13.582 -18.776 133 HG21 ILE 16 HG21 ILE 16 2.745 14.037 -15.055 134 HG22 ILE 16 HG22 ILE 16 3.032 15.158 -16.385 135 HG23 ILE 16 HG23 ILE 16 1.837 13.872 -16.558 136 HD11 ILE 16 HD11 ILE 16 3.241 10.781 -18.415 137 HD12 ILE 16 HD12 ILE 16 4.372 11.491 -19.569 138 HD13 ILE 16 HD13 ILE 16 4.880 11.189 -17.907 139 H SER 17 H SER 17 7.388 12.978 -15.496 140 HA SER 17 HA SER 17 6.491 13.419 -12.741 141 HB2 SER 17 HB2 SER 17 8.187 11.443 -14.063 142 HB3 SER 17 HB3 SER 17 8.925 12.102 -12.602 143 HG SER 17 HG SER 17 6.568 11.673 -11.811 144 HA PRO 18 HA PRO 18 10.815 15.501 -12.603 145 HB2 PRO 18 HB2 PRO 18 12.342 15.455 -14.847 146 HB3 PRO 18 HB3 PRO 18 12.375 14.168 -13.636 147 HG2 PRO 18 HG2 PRO 18 10.923 14.271 -16.252 148 HG3 PRO 18 HG3 PRO 18 11.831 12.931 -15.529 149 HD2 PRO 18 HD2 PRO 18 9.128 13.074 -15.443 150 HD3 PRO 18 HD3 PRO 18 10.087 12.330 -14.147 151 HA PRO 19 HA PRO 19 9.751 18.369 -16.419 152 HB2 PRO 19 HB2 PRO 19 7.332 17.832 -17.528 153 HB3 PRO 19 HB3 PRO 19 8.838 17.120 -18.118 154 HG2 PRO 19 HG2 PRO 19 6.765 15.938 -16.311 155 HG3 PRO 19 HG3 PRO 19 7.626 15.188 -17.668 156 HD2 PRO 19 HD2 PRO 19 8.325 14.765 -15.086 157 HD3 PRO 19 HD3 PRO 19 9.511 14.776 -16.407 158 H GLU 20 H GLU 20 7.672 17.168 -13.951 159 HA GLU 20 HA GLU 20 5.932 19.471 -13.908 160 HB2 GLU 20 HB2 GLU 20 5.960 16.853 -12.732 161 HB3 GLU 20 HB3 GLU 20 5.744 18.055 -11.467 162 HG2 GLU 20 HG2 GLU 20 3.836 18.986 -12.656 163 HG3 GLU 20 HG3 GLU 20 4.061 17.811 -13.951 164 H PHE 21 H PHE 21 8.969 18.603 -12.594 165 HA PHE 21 HA PHE 21 9.005 20.070 -10.214 166 HB2 PHE 21 HB2 PHE 21 10.847 18.583 -11.719 167 HB3 PHE 21 HB3 PHE 21 11.557 20.187 -11.570 168 HD1 PHE 21 HD1 PHE 21 9.732 17.761 -9.394 169 HD2 PHE 21 HD2 PHE 21 12.971 20.493 -9.800 170 HE1 PHE 21 HE1 PHE 21 10.475 17.215 -7.113 171 HE2 PHE 21 HE2 PHE 21 13.719 19.950 -7.521 172 HZ PHE 21 HZ PHE 21 12.472 18.309 -6.174 173 H GLY 22 H GLY 22 9.151 21.093 -13.519 174 HA2 GLY 22 HA2 GLY 22 10.444 23.531 -13.365 175 HA3 GLY 22 HA3 GLY 22 9.106 23.192 -14.452 Start of MODEL 14 1 H1 TRP 1 H TRP 1 2.964 3.445 -0.447 2 HA TRP 1 HA TRP 1 5.290 5.206 -0.025 3 HB2 TRP 1 HB2 TRP 1 3.889 3.371 1.922 4 HB3 TRP 1 HB3 TRP 1 5.485 4.053 2.223 5 HD1 TRP 1 HD1 TRP 1 4.226 6.880 0.675 6 HE1 TRP 1 HE1 TRP 1 2.993 8.493 2.257 7 HE3 TRP 1 HE3 TRP 1 3.352 3.686 4.569 8 HZ2 TRP 1 HZ2 TRP 1 1.807 8.420 4.817 9 HZ3 TRP 1 HZ3 TRP 1 2.163 4.537 6.548 10 HH2 TRP 1 HH2 TRP 1 1.407 6.855 6.668 11 H ARG 2 H ARG 2 7.006 4.408 -1.035 12 HA ARG 2 HA ARG 2 8.515 2.956 -1.931 13 HB2 ARG 2 HB2 ARG 2 7.711 1.434 0.550 14 HB3 ARG 2 HB3 ARG 2 9.044 0.956 -0.492 15 HG2 ARG 2 HG2 ARG 2 10.138 2.136 1.140 16 HG3 ARG 2 HG3 ARG 2 9.876 3.388 -0.075 17 HD2 ARG 2 HD2 ARG 2 7.576 3.364 1.535 18 HD3 ARG 2 HD3 ARG 2 8.948 3.260 2.638 19 HE ARG 2 HE ARG 2 8.162 5.524 1.080 20 HH11 ARG 2 HH11 ARG 2 10.880 3.902 2.530 21 HH12 ARG 2 HH12 ARG 2 11.835 5.342 2.662 22 HH21 ARG 2 HH21 ARG 2 9.409 7.426 1.247 23 HH22 ARG 2 HH22 ARG 2 10.997 7.346 1.932 24 HA PRO 3 HA PRO 3 5.093 0.409 -3.826 25 HB2 PRO 3 HB2 PRO 3 5.437 1.363 -6.345 26 HB3 PRO 3 HB3 PRO 3 4.386 2.144 -5.157 27 HG2 PRO 3 HG2 PRO 3 7.184 2.842 -5.960 28 HG3 PRO 3 HG3 PRO 3 5.802 3.915 -5.672 29 HD2 PRO 3 HD2 PRO 3 7.753 3.527 -3.835 30 HD3 PRO 3 HD3 PRO 3 6.067 3.848 -3.383 31 H TYR 4 H TYR 4 5.427 -0.736 -6.160 32 HA TYR 4 HA TYR 4 8.187 -1.725 -6.314 33 HB2 TYR 4 HB2 TYR 4 5.775 -3.544 -6.383 34 HB3 TYR 4 HB3 TYR 4 7.470 -4.019 -6.387 35 HD1 TYR 4 HD1 TYR 4 8.856 -3.245 -4.296 36 HD2 TYR 4 HD2 TYR 4 4.613 -3.549 -4.381 37 HE1 TYR 4 HE1 TYR 4 8.823 -3.397 -1.841 38 HE2 TYR 4 HE2 TYR 4 4.569 -3.700 -1.926 39 HH TYR 4 HH TYR 4 6.988 -4.508 -0.091 40 H LEU 5 H LEU 5 5.021 -2.302 -7.860 41 HA LEU 5 HA LEU 5 6.266 -2.477 -10.460 42 HB2 LEU 5 HB2 LEU 5 4.354 -3.446 -11.155 43 HB3 LEU 5 HB3 LEU 5 4.121 -3.685 -9.425 44 HG LEU 5 HG LEU 5 2.889 -1.341 -9.658 45 HD11 LEU 5 HD11 LEU 5 2.089 -0.792 -11.694 46 HD12 LEU 5 HD12 LEU 5 1.949 -2.471 -12.214 47 HD13 LEU 5 HD13 LEU 5 3.517 -1.666 -12.250 48 HD21 LEU 5 HD21 LEU 5 1.547 -3.896 -10.518 49 HD22 LEU 5 HD22 LEU 5 0.827 -2.523 -9.676 50 HD23 LEU 5 HD23 LEU 5 2.002 -3.547 -8.850 51 H GLN 6 H GLN 6 4.659 -0.086 -8.556 52 HA GLN 6 HA GLN 6 3.675 1.632 -10.509 53 HB2 GLN 6 HB2 GLN 6 4.025 1.693 -7.725 54 HB3 GLN 6 HB3 GLN 6 4.858 3.117 -8.334 55 HG2 GLN 6 HG2 GLN 6 2.789 3.994 -8.062 56 HG3 GLN 6 HG3 GLN 6 2.624 3.396 -9.712 57 HE21 GLN 6 HE21 GLN 6 0.651 2.639 -9.960 58 HE22 GLN 6 HE22 GLN 6 -0.191 1.611 -8.857 59 H THR 7 H THR 7 6.870 1.693 -8.933 60 HA THR 7 HA THR 7 7.933 3.816 -10.416 61 HB THR 7 HB THR 7 9.001 2.996 -8.372 62 HG1 THR 7 HG1 THR 7 10.553 4.027 -9.421 63 HG21 THR 7 HG21 THR 7 8.658 0.492 -9.424 64 HG22 THR 7 HG22 THR 7 9.682 0.880 -8.041 65 HG23 THR 7 HG23 THR 7 10.386 0.756 -9.652 66 H GLU 8 H GLU 8 7.697 0.388 -11.118 67 HA GLU 8 HA GLU 8 9.521 0.126 -13.179 68 HB2 GLU 8 HB2 GLU 8 7.309 -1.359 -12.156 69 HB3 GLU 8 HB3 GLU 8 7.186 -1.326 -13.909 70 HG2 GLU 8 HG2 GLU 8 9.888 -1.858 -13.206 71 HG3 GLU 8 HG3 GLU 8 8.841 -2.942 -12.291 72 H TYR 9 H TYR 9 6.423 1.711 -13.159 73 HA TYR 9 HA TYR 9 6.459 2.042 -16.061 74 HB2 TYR 9 HB2 TYR 9 4.416 2.151 -13.965 75 HB3 TYR 9 HB3 TYR 9 4.282 3.456 -15.138 76 HD1 TYR 9 HD1 TYR 9 4.624 2.569 -17.679 77 HD2 TYR 9 HD2 TYR 9 3.183 0.262 -14.408 78 HE1 TYR 9 HE1 TYR 9 3.509 1.044 -19.254 79 HE2 TYR 9 HE2 TYR 9 2.065 -1.270 -15.974 80 HH TYR 9 HH TYR 9 1.388 -0.594 -19.039 81 H TYR 10 H TYR 10 6.475 3.999 -13.103 82 HA TYR 10 HA TYR 10 6.501 6.529 -14.230 83 HB2 TYR 10 HB2 TYR 10 7.925 5.571 -11.738 84 HB3 TYR 10 HB3 TYR 10 7.639 7.259 -12.149 85 HD1 TYR 10 HD1 TYR 10 4.861 7.135 -13.159 86 HD2 TYR 10 HD2 TYR 10 6.661 5.233 -9.806 87 HE1 TYR 10 HE1 TYR 10 2.670 7.038 -12.046 88 HE2 TYR 10 HE2 TYR 10 4.475 5.129 -8.684 89 HH TYR 10 HH TYR 10 2.329 6.188 -8.733 90 H ASP 11 H ASP 11 9.101 4.207 -13.877 91 HA ASP 11 HA ASP 11 11.318 5.805 -14.313 92 HB2 ASP 11 HB2 ASP 11 10.809 3.066 -14.166 93 HB3 ASP 11 HB3 ASP 11 11.526 3.295 -15.759 94 H VAL 12 H VAL 12 8.966 4.575 -16.606 95 HA VAL 12 HA VAL 12 10.467 5.516 -18.898 96 HB VAL 12 HB VAL 12 7.645 4.442 -18.783 97 HG11 VAL 12 HG11 VAL 12 9.425 5.344 -20.968 98 HG12 VAL 12 HG12 VAL 12 8.486 3.878 -21.256 99 HG13 VAL 12 HG13 VAL 12 7.666 5.385 -20.846 100 HG21 VAL 12 HG21 VAL 12 8.606 2.320 -19.511 101 HG22 VAL 12 HG22 VAL 12 10.226 3.013 -19.423 102 HG23 VAL 12 HG23 VAL 12 9.272 2.812 -17.953 103 H MET 13 H MET 13 7.819 6.580 -16.887 104 HA MET 13 HA MET 13 7.351 8.875 -18.655 105 HB2 MET 13 HB2 MET 13 5.433 7.427 -17.802 106 HB3 MET 13 HB3 MET 13 5.739 8.129 -16.219 107 HG2 MET 13 HG2 MET 13 5.516 10.390 -17.509 108 HG3 MET 13 HG3 MET 13 4.647 9.399 -18.678 109 HE1 MET 13 HE1 MET 13 5.248 9.674 -15.062 110 HE2 MET 13 HE2 MET 13 3.814 10.502 -14.456 111 HE3 MET 13 HE3 MET 13 3.885 8.739 -14.446 112 H THR 14 H THR 14 9.743 8.690 -17.069 113 HA THR 14 HA THR 14 9.372 10.497 -14.829 114 HB THR 14 HB THR 14 11.033 8.566 -14.844 115 HG1 THR 14 HG1 THR 14 12.361 10.991 -14.291 116 HG21 THR 14 HG21 THR 14 11.901 9.265 -17.162 117 HG22 THR 14 HG22 THR 14 13.087 8.772 -15.953 118 HG23 THR 14 HG23 THR 14 12.834 10.484 -16.294 119 H VAL 15 H VAL 15 9.621 10.874 -18.098 120 HA VAL 15 HA VAL 15 11.245 13.297 -18.015 121 HB VAL 15 HB VAL 15 9.863 12.065 -20.400 122 HG11 VAL 15 HG11 VAL 15 11.806 14.294 -20.013 123 HG12 VAL 15 HG12 VAL 15 11.862 13.345 -21.499 124 HG13 VAL 15 HG13 VAL 15 10.388 14.206 -21.056 125 HG21 VAL 15 HG21 VAL 15 12.554 11.567 -20.670 126 HG22 VAL 15 HG22 VAL 15 12.264 11.261 -18.957 127 HG23 VAL 15 HG23 VAL 15 11.332 10.394 -20.177 128 H ILE 16 H ILE 16 8.189 12.620 -17.227 129 HA ILE 16 HA ILE 16 7.281 15.310 -17.928 130 HB ILE 16 HB ILE 16 5.423 12.966 -18.255 131 HG12 ILE 16 HG12 ILE 16 5.818 13.686 -20.794 132 HG13 ILE 16 HG13 ILE 16 7.405 14.110 -20.162 133 HG21 ILE 16 HG21 ILE 16 5.249 15.876 -18.514 134 HG22 ILE 16 HG22 ILE 16 4.554 14.985 -19.867 135 HG23 ILE 16 HG23 ILE 16 3.982 14.683 -18.226 136 HD11 ILE 16 HD11 ILE 16 7.194 11.664 -19.135 137 HD12 ILE 16 HD12 ILE 16 6.160 11.464 -20.549 138 HD13 ILE 16 HD13 ILE 16 7.835 11.976 -20.747 139 H SER 17 H SER 17 7.899 13.169 -15.596 140 HA SER 17 HA SER 17 5.573 13.819 -13.937 141 HB2 SER 17 HB2 SER 17 7.453 11.587 -14.065 142 HB3 SER 17 HB3 SER 17 7.221 12.186 -12.422 143 HG SER 17 HG SER 17 4.841 12.109 -13.254 144 HA PRO 18 HA PRO 18 9.135 15.294 -11.075 145 HB2 PRO 18 HB2 PRO 18 11.692 14.968 -11.925 146 HB3 PRO 18 HB3 PRO 18 10.815 13.727 -11.022 147 HG2 PRO 18 HG2 PRO 18 11.290 13.944 -13.969 148 HG3 PRO 18 HG3 PRO 18 11.387 12.516 -12.923 149 HD2 PRO 18 HD2 PRO 18 9.240 13.030 -14.490 150 HD3 PRO 18 HD3 PRO 18 9.103 12.203 -12.925 151 HA PRO 19 HA PRO 19 10.999 18.157 -14.574 152 HB2 PRO 19 HB2 PRO 19 9.717 17.919 -16.956 153 HB3 PRO 19 HB3 PRO 19 11.164 16.990 -16.547 154 HG2 PRO 19 HG2 PRO 19 8.290 16.160 -16.450 155 HG3 PRO 19 HG3 PRO 19 9.696 15.256 -17.042 156 HD2 PRO 19 HD2 PRO 19 8.612 14.825 -14.599 157 HD3 PRO 19 HD3 PRO 19 10.347 14.632 -14.921 158 H GLU 20 H GLU 20 7.707 17.324 -13.977 159 HA GLU 20 HA GLU 20 6.627 19.856 -14.854 160 HB2 GLU 20 HB2 GLU 20 5.137 18.038 -15.082 161 HB3 GLU 20 HB3 GLU 20 5.466 17.457 -13.456 162 HG2 GLU 20 HG2 GLU 20 4.304 19.365 -12.512 163 HG3 GLU 20 HG3 GLU 20 4.018 20.009 -14.128 164 H PHE 21 H PHE 21 8.010 18.555 -11.995 165 HA PHE 21 HA PHE 21 6.763 20.068 -10.010 166 HB2 PHE 21 HB2 PHE 21 8.939 18.295 -10.164 167 HB3 PHE 21 HB3 PHE 21 9.584 19.777 -9.466 168 HD1 PHE 21 HD1 PHE 21 7.396 20.781 -7.862 169 HD2 PHE 21 HD2 PHE 21 8.711 16.775 -8.449 170 HE1 PHE 21 HE1 PHE 21 6.463 20.156 -5.672 171 HE2 PHE 21 HE2 PHE 21 7.779 16.145 -6.261 172 HZ PHE 21 HZ PHE 21 6.652 17.836 -4.870 173 H GLY 22 H GLY 22 9.317 20.902 -12.268 174 HA2 GLY 22 HA2 GLY 22 10.388 22.886 -12.711 175 HA3 GLY 22 HA3 GLY 22 8.866 23.629 -12.244 Start of MODEL 15 1 H1 TRP 1 H TRP 1 4.042 0.788 4.360 2 HA TRP 1 HA TRP 1 2.476 0.637 2.332 3 HB2 TRP 1 HB2 TRP 1 2.621 2.436 0.767 4 HB3 TRP 1 HB3 TRP 1 2.285 3.154 2.340 5 HD1 TRP 1 HD1 TRP 1 5.475 2.884 3.254 6 HE1 TRP 1 HE1 TRP 1 7.087 4.676 2.353 7 HE3 TRP 1 HE3 TRP 1 2.708 4.545 -0.711 8 HZ2 TRP 1 HZ2 TRP 1 7.174 6.548 0.242 9 HZ3 TRP 1 HZ3 TRP 1 3.628 6.339 -2.121 10 HH2 TRP 1 HH2 TRP 1 5.814 7.319 -1.653 11 H ARG 2 H ARG 2 3.521 0.482 0.034 12 HA ARG 2 HA ARG 2 6.356 0.210 -0.098 13 HB2 ARG 2 HB2 ARG 2 5.490 -1.833 1.250 14 HB3 ARG 2 HB3 ARG 2 4.896 -2.407 -0.303 15 HG2 ARG 2 HG2 ARG 2 7.026 -3.401 0.114 16 HG3 ARG 2 HG3 ARG 2 7.207 -2.227 -1.191 17 HD2 ARG 2 HD2 ARG 2 8.363 -0.730 0.143 18 HD3 ARG 2 HD3 ARG 2 7.716 -1.407 1.637 19 HE ARG 2 HE ARG 2 10.052 -2.279 0.205 20 HH11 ARG 2 HH11 ARG 2 7.557 -3.198 2.453 21 HH12 ARG 2 HH12 ARG 2 8.491 -4.469 3.171 22 HH21 ARG 2 HH21 ARG 2 11.291 -3.949 1.142 23 HH22 ARG 2 HH22 ARG 2 10.615 -4.894 2.425 24 HA PRO 3 HA PRO 3 4.040 0.709 -4.094 25 HB2 PRO 3 HB2 PRO 3 5.489 2.843 -4.939 26 HB3 PRO 3 HB3 PRO 3 4.061 2.999 -3.909 27 HG2 PRO 3 HG2 PRO 3 6.957 3.041 -3.151 28 HG3 PRO 3 HG3 PRO 3 5.637 4.080 -2.584 29 HD2 PRO 3 HD2 PRO 3 6.571 1.991 -1.137 30 HD3 PRO 3 HD3 PRO 3 4.872 2.505 -1.086 31 H TYR 4 H TYR 4 4.967 -1.243 -4.830 32 HA TYR 4 HA TYR 4 7.746 -1.309 -5.621 33 HB2 TYR 4 HB2 TYR 4 6.034 -3.246 -4.812 34 HB3 TYR 4 HB3 TYR 4 5.928 -3.444 -6.558 35 HD1 TYR 4 HD1 TYR 4 8.638 -2.845 -4.043 36 HD2 TYR 4 HD2 TYR 4 7.314 -5.057 -7.428 37 HE1 TYR 4 HE1 TYR 4 10.736 -4.128 -4.018 38 HE2 TYR 4 HE2 TYR 4 9.409 -6.347 -7.412 39 HH TYR 4 HH TYR 4 12.034 -5.574 -6.226 40 H LEU 5 H LEU 5 4.618 -0.891 -7.129 41 HA LEU 5 HA LEU 5 5.893 -0.774 -9.774 42 HB2 LEU 5 HB2 LEU 5 3.349 -0.650 -10.434 43 HB3 LEU 5 HB3 LEU 5 4.139 -2.186 -10.083 44 HG LEU 5 HG LEU 5 2.729 -0.759 -7.877 45 HD11 LEU 5 HD11 LEU 5 0.617 -1.322 -8.532 46 HD12 LEU 5 HD12 LEU 5 1.167 -2.632 -9.576 47 HD13 LEU 5 HD13 LEU 5 1.331 -0.957 -10.103 48 HD21 LEU 5 HD21 LEU 5 2.562 -3.674 -8.389 49 HD22 LEU 5 HD22 LEU 5 2.717 -2.795 -6.868 50 HD23 LEU 5 HD23 LEU 5 4.128 -3.022 -7.903 51 H GLN 6 H GLN 6 4.042 1.067 -7.444 52 HA GLN 6 HA GLN 6 3.242 3.241 -8.941 53 HB2 GLN 6 HB2 GLN 6 3.411 2.599 -6.211 54 HB3 GLN 6 HB3 GLN 6 4.261 4.128 -6.392 55 HG2 GLN 6 HG2 GLN 6 2.246 5.051 -6.188 56 HG3 GLN 6 HG3 GLN 6 2.019 4.569 -7.868 57 HE21 GLN 6 HE21 GLN 6 0.184 4.854 -5.496 58 HE22 GLN 6 HE22 GLN 6 -0.684 3.361 -5.446 59 H THR 7 H THR 7 6.392 2.645 -7.439 60 HA THR 7 HA THR 7 7.471 5.133 -8.458 61 HB THR 7 HB THR 7 8.189 4.275 -6.254 62 HG1 THR 7 HG1 THR 7 9.622 5.624 -7.389 63 HG21 THR 7 HG21 THR 7 8.163 1.838 -7.114 64 HG22 THR 7 HG22 THR 7 9.414 2.310 -5.965 65 HG23 THR 7 HG23 THR 7 9.796 2.183 -7.681 66 H GLU 8 H GLU 8 7.412 1.767 -9.329 67 HA GLU 8 HA GLU 8 9.627 1.793 -11.103 68 HB2 GLU 8 HB2 GLU 8 7.722 -0.100 -10.182 69 HB3 GLU 8 HB3 GLU 8 7.671 -0.118 -11.939 70 HG2 GLU 8 HG2 GLU 8 10.003 -0.612 -12.072 71 HG3 GLU 8 HG3 GLU 8 10.202 -0.378 -10.337 72 H TYR 9 H TYR 9 6.232 2.577 -11.443 73 HA TYR 9 HA TYR 9 6.191 2.646 -14.285 74 HB2 TYR 9 HB2 TYR 9 4.221 2.551 -12.568 75 HB3 TYR 9 HB3 TYR 9 4.348 4.307 -12.600 76 HD1 TYR 9 HD1 TYR 9 4.449 5.320 -15.070 77 HD2 TYR 9 HD2 TYR 9 2.747 1.561 -14.036 78 HE1 TYR 9 HE1 TYR 9 3.080 5.385 -17.113 79 HE2 TYR 9 HE2 TYR 9 1.374 1.614 -16.076 80 HH TYR 9 HH TYR 9 1.167 4.448 -18.078 81 H TYR 10 H TYR 10 6.872 5.021 -11.784 82 HA TYR 10 HA TYR 10 6.847 7.320 -13.404 83 HB2 TYR 10 HB2 TYR 10 8.412 6.749 -10.879 84 HB3 TYR 10 HB3 TYR 10 8.223 8.342 -11.605 85 HD1 TYR 10 HD2 TYR 10 5.317 8.099 -12.403 86 HD2 TYR 10 HD1 TYR 10 7.349 7.098 -8.801 87 HE1 TYR 10 HE2 TYR 10 3.232 8.429 -11.142 88 HE2 TYR 10 HE1 TYR 10 5.268 7.424 -7.530 89 HH TYR 10 HH TYR 10 2.386 8.734 -9.029 90 H ASP 11 H ASP 11 9.280 4.878 -12.818 91 HA ASP 11 HA ASP 11 11.555 6.185 -13.740 92 HB2 ASP 11 HB2 ASP 11 10.790 3.495 -13.122 93 HB3 ASP 11 HB3 ASP 11 11.692 3.497 -14.635 94 H VAL 12 H VAL 12 8.861 4.847 -15.490 95 HA VAL 12 HA VAL 12 10.227 5.163 -18.053 96 HB VAL 12 HB VAL 12 7.435 4.153 -17.489 97 HG11 VAL 12 HG11 VAL 12 7.246 4.659 -19.687 98 HG12 VAL 12 HG12 VAL 12 8.989 4.625 -19.958 99 HG13 VAL 12 HG13 VAL 12 8.079 3.116 -19.875 100 HG21 VAL 12 HG21 VAL 12 8.340 2.209 -16.916 101 HG22 VAL 12 HG22 VAL 12 9.182 2.133 -18.464 102 HG23 VAL 12 HG23 VAL 12 9.951 2.909 -17.079 103 H MET 13 H MET 13 7.767 6.656 -16.085 104 HA MET 13 HA MET 13 7.115 8.533 -18.243 105 HB2 MET 13 HB2 MET 13 5.301 7.328 -16.914 106 HB3 MET 13 HB3 MET 13 5.759 8.348 -15.557 107 HG2 MET 13 HG2 MET 13 5.392 10.285 -17.266 108 HG3 MET 13 HG3 MET 13 4.426 9.081 -18.116 109 HE1 MET 13 HE1 MET 13 3.968 11.034 -14.143 110 HE2 MET 13 HE2 MET 13 4.078 9.308 -13.795 111 HE3 MET 13 HE3 MET 13 5.357 10.107 -14.710 112 H THR 14 H THR 14 9.653 8.638 -16.875 113 HA THR 14 HA THR 14 9.498 10.889 -15.053 114 HB THR 14 HB THR 14 11.159 8.974 -14.819 115 HG1 THR 14 HG1 THR 14 11.314 11.151 -13.829 116 HG21 THR 14 HG21 THR 14 12.716 10.514 -16.890 117 HG22 THR 14 HG22 THR 14 11.807 9.049 -17.263 118 HG23 THR 14 HG23 THR 14 13.148 8.988 -16.119 119 H VAL 15 H VAL 15 9.419 10.563 -18.336 120 HA VAL 15 HA VAL 15 11.023 12.932 -18.921 121 HB VAL 15 HB VAL 15 9.450 11.228 -20.855 122 HG11 VAL 15 HG11 VAL 15 11.343 12.230 -22.367 123 HG12 VAL 15 HG12 VAL 15 9.891 13.166 -22.008 124 HG13 VAL 15 HG13 VAL 15 11.385 13.480 -21.124 125 HG21 VAL 15 HG21 VAL 15 12.370 11.043 -20.118 126 HG22 VAL 15 HG22 VAL 15 11.122 9.881 -19.669 127 HG23 VAL 15 HG23 VAL 15 11.550 10.103 -21.365 128 H ILE 16 H ILE 16 8.078 12.488 -17.710 129 HA ILE 16 HA ILE 16 7.070 14.960 -18.898 130 HB ILE 16 HB ILE 16 5.217 12.617 -18.538 131 HG12 ILE 16 HG12 ILE 16 6.615 13.499 -21.072 132 HG13 ILE 16 HG13 ILE 16 6.888 11.987 -20.214 133 HG21 ILE 16 HG21 ILE 16 4.849 15.363 -19.044 134 HG22 ILE 16 HG22 ILE 16 4.453 14.510 -20.535 135 HG23 ILE 16 HG23 ILE 16 3.632 14.088 -19.033 136 HD11 ILE 16 HD11 ILE 16 4.470 11.447 -20.636 137 HD12 ILE 16 HD12 ILE 16 4.435 12.841 -21.716 138 HD13 ILE 16 HD13 ILE 16 5.512 11.487 -22.059 139 H SER 17 H SER 17 7.916 13.354 -16.226 140 HA SER 17 HA SER 17 5.750 14.385 -14.540 141 HB2 SER 17 HB2 SER 17 7.592 12.130 -14.366 142 HB3 SER 17 HB3 SER 17 7.543 13.070 -12.875 143 HG SER 17 HG SER 17 5.935 11.469 -12.871 144 HA PRO 18 HA PRO 18 9.570 16.350 -12.392 145 HB2 PRO 18 HB2 PRO 18 12.034 15.807 -13.393 146 HB3 PRO 18 HB3 PRO 18 11.249 14.798 -12.172 147 HG2 PRO 18 HG2 PRO 18 11.437 14.389 -15.132 148 HG3 PRO 18 HG3 PRO 18 11.636 13.208 -13.824 149 HD2 PRO 18 HD2 PRO 18 9.348 13.426 -15.255 150 HD3 PRO 18 HD3 PRO 18 9.364 12.945 -13.546 151 HA PRO 19 HA PRO 19 11.083 18.388 -16.572 152 HB2 PRO 19 HB2 PRO 19 9.574 17.689 -18.718 153 HB3 PRO 19 HB3 PRO 19 11.054 16.836 -18.265 154 HG2 PRO 19 HG2 PRO 19 8.203 16.102 -17.722 155 HG3 PRO 19 HG3 PRO 19 9.545 15.067 -18.246 156 HD2 PRO 19 HD2 PRO 19 8.705 15.173 -15.674 157 HD3 PRO 19 HD3 PRO 19 10.400 14.882 -16.114 158 H GLU 20 H GLU 20 7.870 17.769 -15.493 159 HA GLU 20 HA GLU 20 6.696 20.071 -16.777 160 HB2 GLU 20 HB2 GLU 20 5.750 17.755 -15.369 161 HB3 GLU 20 HB3 GLU 20 5.055 19.199 -14.646 162 HG2 GLU 20 HG2 GLU 20 4.132 19.883 -16.745 163 HG3 GLU 20 HG3 GLU 20 4.968 18.581 -17.588 164 H PHE 21 H PHE 21 8.422 19.424 -13.894 165 HA PHE 21 HA PHE 21 7.387 21.344 -12.151 166 HB2 PHE 21 HB2 PHE 21 9.538 19.550 -12.152 167 HB3 PHE 21 HB3 PHE 21 10.266 21.136 -11.919 168 HD1 PHE 21 HD1 PHE 21 7.308 19.219 -10.684 169 HD2 PHE 21 HD2 PHE 21 10.545 21.823 -9.755 170 HE1 PHE 21 HE1 PHE 21 6.674 19.153 -8.307 171 HE2 PHE 21 HE2 PHE 21 9.917 21.760 -7.377 172 HZ PHE 21 HZ PHE 21 7.980 20.424 -6.650 173 H GLY 22 H GLY 22 9.648 21.638 -14.820 174 HA2 GLY 22 HA2 GLY 22 10.627 23.467 -15.809 175 HA3 GLY 22 HA3 GLY 22 9.155 24.307 -15.344 Start of MODEL 16 1 H1 TRP 1 H TRP 1 4.055 -9.003 -1.202 2 HA TRP 1 HA TRP 1 2.290 -7.874 -2.838 3 HB2 TRP 1 HB2 TRP 1 3.625 -6.516 -0.490 4 HB3 TRP 1 HB3 TRP 1 2.177 -5.898 -1.281 5 HD1 TRP 1 HD1 TRP 1 1.296 -9.244 -1.530 6 HE1 TRP 1 HE1 TRP 1 0.043 -10.158 0.524 7 HE3 TRP 1 HE3 TRP 1 2.560 -5.636 1.864 8 HZ2 TRP 1 HZ2 TRP 1 -0.357 -9.444 3.225 9 HZ3 TRP 1 HZ3 TRP 1 1.700 -5.825 4.162 10 HH2 TRP 1 HH2 TRP 1 0.271 -7.690 4.826 11 H ARG 2 H ARG 2 5.628 -6.924 -2.609 12 HA ARG 2 HA ARG 2 6.913 -5.478 -3.805 13 HB2 ARG 2 HB2 ARG 2 4.649 -5.892 -5.757 14 HB3 ARG 2 HB3 ARG 2 6.092 -4.966 -6.147 15 HG2 ARG 2 HG2 ARG 2 6.893 -6.906 -6.900 16 HG3 ARG 2 HG3 ARG 2 7.163 -7.283 -5.197 17 HD2 ARG 2 HD2 ARG 2 4.995 -8.386 -5.084 18 HD3 ARG 2 HD3 ARG 2 4.682 -7.970 -6.768 19 HE ARG 2 HE ARG 2 7.052 -9.381 -6.755 20 HH11 ARG 2 HH11 ARG 2 3.744 -9.951 -5.830 21 HH12 ARG 2 HH12 ARG 2 3.810 -11.652 -6.154 22 HH21 ARG 2 HH21 ARG 2 7.151 -11.619 -7.185 23 HH22 ARG 2 HH22 ARG 2 5.749 -12.600 -6.924 24 HA PRO 3 HA PRO 3 4.307 -1.909 -2.358 25 HB2 PRO 3 HB2 PRO 3 6.153 -0.964 -0.605 26 HB3 PRO 3 HB3 PRO 3 4.968 -2.203 -0.177 27 HG2 PRO 3 HG2 PRO 3 7.842 -2.519 -0.952 28 HG3 PRO 3 HG3 PRO 3 6.936 -3.329 0.339 29 HD2 PRO 3 HD2 PRO 3 7.456 -4.513 -2.040 30 HD3 PRO 3 HD3 PRO 3 5.980 -4.845 -1.111 31 H TYR 4 H TYR 4 5.407 0.449 -1.932 32 HA TYR 4 HA TYR 4 6.408 2.261 -2.877 33 HB2 TYR 4 HB2 TYR 4 8.294 0.373 -4.280 34 HB3 TYR 4 HB3 TYR 4 8.579 2.048 -3.821 35 HD1 TYR 4 HD1 TYR 4 7.637 2.038 -1.017 36 HD2 TYR 4 HD2 TYR 4 9.954 -0.820 -3.154 37 HE1 TYR 4 HE1 TYR 4 8.651 1.290 1.095 38 HE2 TYR 4 HE2 TYR 4 10.973 -1.577 -1.048 39 HH TYR 4 HH TYR 4 11.317 -0.967 1.155 40 H LEU 5 H LEU 5 5.463 3.395 -4.426 41 HA LEU 5 HA LEU 5 5.415 2.427 -7.157 42 HB2 LEU 5 HB2 LEU 5 2.847 3.201 -7.053 43 HB3 LEU 5 HB3 LEU 5 3.375 1.529 -6.879 44 HG LEU 5 HG LEU 5 3.168 3.133 -4.397 45 HD11 LEU 5 HD11 LEU 5 1.100 3.419 -6.096 46 HD12 LEU 5 HD12 LEU 5 0.931 3.381 -4.341 47 HD13 LEU 5 HD13 LEU 5 0.636 1.923 -5.287 48 HD21 LEU 5 HD21 LEU 5 2.965 1.112 -3.417 49 HD22 LEU 5 HD22 LEU 5 3.699 0.548 -4.918 50 HD23 LEU 5 HD23 LEU 5 1.950 0.466 -4.706 51 H GLN 6 H GLN 6 4.464 4.932 -4.851 52 HA GLN 6 HA GLN 6 3.897 7.026 -6.538 53 HB2 GLN 6 HB2 GLN 6 4.323 6.723 -3.813 54 HB3 GLN 6 HB3 GLN 6 5.552 7.882 -4.300 55 HG2 GLN 6 HG2 GLN 6 3.799 9.258 -3.768 56 HG3 GLN 6 HG3 GLN 6 3.584 9.067 -5.507 57 HE21 GLN 6 HE21 GLN 6 2.522 7.833 -2.380 58 HE22 GLN 6 HE22 GLN 6 0.937 7.378 -2.894 59 H THR 7 H THR 7 7.079 5.930 -5.435 60 HA THR 7 HA THR 7 8.407 7.925 -7.089 61 HB THR 7 HB THR 7 9.333 7.494 -4.868 62 HG1 THR 7 HG1 THR 7 10.673 7.769 -6.980 63 HG21 THR 7 HG21 THR 7 9.780 5.453 -4.029 64 HG22 THR 7 HG22 THR 7 10.459 4.871 -5.549 65 HG23 THR 7 HG23 THR 7 8.712 4.875 -5.308 66 H GLU 8 H GLU 8 7.724 4.499 -7.054 67 HA GLU 8 HA GLU 8 9.582 3.735 -9.055 68 HB2 GLU 8 HB2 GLU 8 7.435 2.493 -7.545 69 HB3 GLU 8 HB3 GLU 8 7.444 1.952 -9.218 70 HG2 GLU 8 HG2 GLU 8 10.075 1.772 -8.610 71 HG3 GLU 8 HG3 GLU 8 9.340 1.415 -7.048 72 H TYR 9 H TYR 9 6.562 5.353 -9.157 73 HA TYR 9 HA TYR 9 5.982 4.662 -11.906 74 HB2 TYR 9 HB2 TYR 9 4.330 5.296 -9.939 75 HB3 TYR 9 HB3 TYR 9 4.634 6.933 -10.509 76 HD1 TYR 9 HD1 TYR 9 4.491 7.114 -13.206 77 HD2 TYR 9 HD2 TYR 9 2.473 4.245 -10.797 78 HE1 TYR 9 HE1 TYR 9 2.815 6.811 -14.981 79 HE2 TYR 9 HE2 TYR 9 0.793 3.933 -12.566 80 HH TYR 9 HH TYR 9 1.207 5.038 -15.711 81 H TYR 10 H TYR 10 7.283 7.399 -10.109 82 HA TYR 10 HA TYR 10 7.309 9.313 -12.127 83 HB2 TYR 10 HB2 TYR 10 9.244 8.879 -9.846 84 HB3 TYR 10 HB3 TYR 10 9.230 10.316 -10.862 85 HD1 TYR 10 HD2 TYR 10 6.253 10.648 -11.142 86 HD2 TYR 10 HD1 TYR 10 8.676 9.789 -7.751 87 HE1 TYR 10 HE2 TYR 10 4.559 11.669 -9.680 88 HE2 TYR 10 HE1 TYR 10 6.988 10.806 -6.280 89 HH TYR 10 HH TYR 10 3.985 12.174 -7.601 90 H ASP 11 H ASP 11 9.366 6.555 -11.604 91 HA ASP 11 HA ASP 11 11.522 7.331 -13.260 92 HB2 ASP 11 HB2 ASP 11 10.514 4.645 -12.330 93 HB3 ASP 11 HB3 ASP 11 11.927 4.807 -13.370 94 H VAL 12 H VAL 12 8.566 5.480 -13.889 95 HA VAL 12 HA VAL 12 9.214 5.056 -16.659 96 HB VAL 12 HB VAL 12 6.535 4.711 -15.311 97 HG11 VAL 12 HG11 VAL 12 5.902 4.349 -17.427 98 HG12 VAL 12 HG12 VAL 12 7.566 4.212 -17.998 99 HG13 VAL 12 HG13 VAL 12 6.763 2.817 -17.275 100 HG21 VAL 12 HG21 VAL 12 7.438 2.217 -15.450 101 HG22 VAL 12 HG22 VAL 12 8.989 3.041 -15.289 102 HG23 VAL 12 HG23 VAL 12 7.747 3.249 -14.053 103 H MET 13 H MET 13 7.455 7.418 -14.801 104 HA MET 13 HA MET 13 6.438 8.662 -17.256 105 HB2 MET 13 HB2 MET 13 4.921 8.194 -15.260 106 HB3 MET 13 HB3 MET 13 5.786 9.480 -14.429 107 HG2 MET 13 HG2 MET 13 5.165 10.869 -16.549 108 HG3 MET 13 HG3 MET 13 3.920 9.637 -16.742 109 HE1 MET 13 HE1 MET 13 5.760 11.444 -14.122 110 HE2 MET 13 HE2 MET 13 4.647 12.717 -13.623 111 HE3 MET 13 HE3 MET 13 4.683 11.185 -12.750 112 H THR 14 H THR 14 9.237 8.766 -16.572 113 HA THR 14 HA THR 14 9.727 11.443 -15.573 114 HB THR 14 HB THR 14 11.231 9.438 -15.105 115 HG1 THR 14 HG1 THR 14 11.822 11.719 -14.849 116 HG21 THR 14 HG21 THR 14 12.582 10.051 -17.692 117 HG22 THR 14 HG22 THR 14 11.217 8.933 -17.692 118 HG23 THR 14 HG23 THR 14 12.640 8.588 -16.709 119 H VAL 15 H VAL 15 8.805 10.191 -18.484 120 HA VAL 15 HA VAL 15 10.403 11.996 -20.128 121 HB VAL 15 HB VAL 15 8.232 10.097 -21.019 122 HG11 VAL 15 HG11 VAL 15 8.527 11.525 -22.795 123 HG12 VAL 15 HG12 VAL 15 10.226 11.820 -22.418 124 HG13 VAL 15 HG13 VAL 15 9.736 10.293 -23.154 125 HG21 VAL 15 HG21 VAL 15 9.919 8.785 -19.946 126 HG22 VAL 15 HG22 VAL 15 10.137 8.621 -21.688 127 HG23 VAL 15 HG23 VAL 15 11.205 9.674 -20.761 128 H ILE 16 H ILE 16 7.831 12.405 -18.231 129 HA ILE 16 HA ILE 16 6.793 14.576 -19.889 130 HB ILE 16 HB ILE 16 4.879 12.773 -18.427 131 HG12 ILE 16 HG12 ILE 16 5.670 12.655 -21.345 132 HG13 ILE 16 HG13 ILE 16 6.004 11.423 -20.133 133 HG21 ILE 16 HG21 ILE 16 3.818 14.124 -20.709 134 HG22 ILE 16 HG22 ILE 16 3.365 14.284 -19.013 135 HG23 ILE 16 HG23 ILE 16 4.655 15.285 -19.679 136 HD11 ILE 16 HD11 ILE 16 3.350 12.215 -21.284 137 HD12 ILE 16 HD12 ILE 16 4.166 10.654 -21.380 138 HD13 ILE 16 HD13 ILE 16 3.510 11.214 -19.842 139 H SER 17 H SER 17 8.140 13.675 -17.097 140 HA SER 17 HA SER 17 6.574 15.473 -15.392 141 HB2 SER 17 HB2 SER 17 8.217 13.104 -14.925 142 HB3 SER 17 HB3 SER 17 8.604 14.424 -13.823 143 HG SER 17 HG SER 17 6.080 14.458 -13.766 144 HA PRO 18 HA PRO 18 10.963 17.342 -14.848 145 HB2 PRO 18 HB2 PRO 18 13.042 16.149 -16.123 146 HB3 PRO 18 HB3 PRO 18 12.504 15.672 -14.508 147 HG2 PRO 18 HG2 PRO 18 11.909 14.404 -17.154 148 HG3 PRO 18 HG3 PRO 18 12.327 13.633 -15.613 149 HD2 PRO 18 HD2 PRO 18 9.780 13.791 -16.518 150 HD3 PRO 18 HD3 PRO 18 10.183 13.826 -14.790 151 HA PRO 19 HA PRO 19 11.549 17.823 -19.679 152 HB2 PRO 19 HB2 PRO 19 9.496 16.785 -21.120 153 HB3 PRO 19 HB3 PRO 19 10.964 15.874 -20.745 154 HG2 PRO 19 HG2 PRO 19 8.288 15.790 -19.405 155 HG3 PRO 19 HG3 PRO 19 9.361 14.449 -19.846 156 HD2 PRO 19 HD2 PRO 19 9.206 15.422 -17.324 157 HD3 PRO 19 HD3 PRO 19 10.705 14.752 -17.998 158 H GLU 20 H GLU 20 8.668 18.059 -17.803 159 HA GLU 20 HA GLU 20 7.411 20.050 -19.472 160 HB2 GLU 20 HB2 GLU 20 6.654 18.418 -17.236 161 HB3 GLU 20 HB3 GLU 20 6.288 20.099 -16.878 162 HG2 GLU 20 HG2 GLU 20 4.432 18.816 -17.938 163 HG3 GLU 20 HG3 GLU 20 4.891 20.295 -18.780 164 H PHE 21 H PHE 21 9.750 19.996 -16.977 165 HA PHE 21 HA PHE 21 9.347 22.483 -15.763 166 HB2 PHE 21 HB2 PHE 21 11.257 20.435 -15.624 167 HB3 PHE 21 HB3 PHE 21 12.162 21.884 -16.053 168 HD1 PHE 21 HD1 PHE 21 10.968 24.024 -14.642 169 HD2 PHE 21 HD2 PHE 21 11.466 19.986 -13.390 170 HE1 PHE 21 HE1 PHE 21 10.920 24.751 -12.292 171 HE2 PHE 21 HE2 PHE 21 11.418 20.707 -11.038 172 HZ PHE 21 HZ PHE 21 11.144 23.091 -10.486 173 H GLY 22 H GLY 22 10.622 21.644 -18.872 174 HA2 GLY 22 HA2 GLY 22 12.212 23.816 -19.501 175 HA3 GLY 22 HA3 GLY 22 11.215 22.953 -20.664 Start of MODEL 17 1 H1 TRP 1 H TRP 1 5.283 2.913 3.657 2 HA TRP 1 HA TRP 1 3.661 1.260 2.564 3 HB2 TRP 1 HB2 TRP 1 3.583 3.649 0.726 4 HB3 TRP 1 HB3 TRP 1 3.137 2.033 0.186 5 HD1 TRP 1 HD1 TRP 1 1.806 1.682 3.362 6 HE1 TRP 1 HE1 TRP 1 -0.618 2.517 3.591 7 HE3 TRP 1 HE3 TRP 1 1.561 4.621 -0.814 8 HZ2 TRP 1 HZ2 TRP 1 -2.399 4.198 2.187 9 HZ3 TRP 1 HZ3 TRP 1 -0.538 5.808 -1.299 10 HH2 TRP 1 HH2 TRP 1 -2.476 5.600 0.171 11 H ARG 2 H ARG 2 4.460 -0.138 0.887 12 HA ARG 2 HA ARG 2 7.268 0.413 0.181 13 HB2 ARG 2 HB2 ARG 2 5.916 -2.156 0.984 14 HB3 ARG 2 HB3 ARG 2 7.455 -2.143 0.132 15 HG2 ARG 2 HG2 ARG 2 8.391 -2.074 2.147 16 HG3 ARG 2 HG3 ARG 2 7.885 -0.384 2.196 17 HD2 ARG 2 HD2 ARG 2 5.831 -0.995 3.317 18 HD3 ARG 2 HD3 ARG 2 6.233 -2.707 3.180 19 HE ARG 2 HE ARG 2 7.186 -0.871 5.149 20 HH11 ARG 2 HH11 ARG 2 8.002 -3.733 3.343 21 HH12 ARG 2 HH12 ARG 2 9.110 -4.328 4.534 22 HH21 ARG 2 HH21 ARG 2 8.642 -1.643 6.726 23 HH22 ARG 2 HH22 ARG 2 9.473 -3.138 6.459 24 HA PRO 3 HA PRO 3 4.785 -0.042 -3.729 25 HB2 PRO 3 HB2 PRO 3 5.861 2.131 -4.950 26 HB3 PRO 3 HB3 PRO 3 4.451 2.226 -3.887 27 HG2 PRO 3 HG2 PRO 3 7.322 2.823 -3.283 28 HG3 PRO 3 HG3 PRO 3 5.869 3.725 -2.814 29 HD2 PRO 3 HD2 PRO 3 7.155 2.049 -1.119 30 HD3 PRO 3 HD3 PRO 3 5.398 2.301 -1.064 31 H TYR 4 H TYR 4 5.521 -1.201 -5.412 32 HA TYR 4 HA TYR 4 8.436 -1.331 -5.823 33 HB2 TYR 4 HB2 TYR 4 6.834 -3.397 -5.051 34 HB3 TYR 4 HB3 TYR 4 6.818 -3.593 -6.800 35 HD1 TYR 4 HD1 TYR 4 9.146 -3.197 -3.918 36 HD2 TYR 4 HD2 TYR 4 8.582 -4.682 -7.865 37 HE1 TYR 4 HE1 TYR 4 11.336 -4.310 -3.806 38 HE2 TYR 4 HE2 TYR 4 10.771 -5.800 -7.763 39 HH TYR 4 HH TYR 4 12.291 -6.695 -5.803 40 H LEU 5 H LEU 5 5.284 -1.128 -7.324 41 HA LEU 5 HA LEU 5 6.536 -0.918 -9.972 42 HB2 LEU 5 HB2 LEU 5 3.998 -0.938 -10.633 43 HB3 LEU 5 HB3 LEU 5 4.854 -2.431 -10.253 44 HG LEU 5 HG LEU 5 3.370 -1.036 -8.076 45 HD11 LEU 5 HD11 LEU 5 1.287 -1.735 -8.722 46 HD12 LEU 5 HD12 LEU 5 1.915 -2.990 -9.789 47 HD13 LEU 5 HD13 LEU 5 1.981 -1.298 -10.284 48 HD21 LEU 5 HD21 LEU 5 4.865 -3.242 -8.075 49 HD22 LEU 5 HD22 LEU 5 3.323 -3.961 -8.541 50 HD23 LEU 5 HD23 LEU 5 3.453 -3.051 -7.035 51 H GLN 6 H GLN 6 4.649 0.824 -7.606 52 HA GLN 6 HA GLN 6 3.686 2.950 -9.069 53 HB2 GLN 6 HB2 GLN 6 3.922 2.320 -6.370 54 HB3 GLN 6 HB3 GLN 6 4.802 3.834 -6.534 55 HG2 GLN 6 HG2 GLN 6 2.780 4.741 -6.209 56 HG3 GLN 6 HG3 GLN 6 2.584 4.427 -7.933 57 HE21 GLN 6 HE21 GLN 6 0.848 3.342 -8.513 58 HE22 GLN 6 HE22 GLN 6 -0.107 2.328 -7.491 59 H THR 7 H THR 7 6.917 2.540 -7.676 60 HA THR 7 HA THR 7 7.835 5.078 -8.695 61 HB THR 7 HB THR 7 8.727 4.137 -6.581 62 HG1 THR 7 HG1 THR 7 9.962 5.545 -8.163 63 HG21 THR 7 HG21 THR 7 10.296 2.204 -8.269 64 HG22 THR 7 HG22 THR 7 8.766 1.755 -7.514 65 HG23 THR 7 HG23 THR 7 10.132 2.250 -6.515 66 H GLU 8 H GLU 8 7.798 1.773 -9.742 67 HA GLU 8 HA GLU 8 9.908 1.936 -11.634 68 HB2 GLU 8 HB2 GLU 8 9.219 -0.229 -10.902 69 HB3 GLU 8 HB3 GLU 8 7.550 0.074 -11.367 70 HG2 GLU 8 HG2 GLU 8 8.722 -1.437 -12.910 71 HG3 GLU 8 HG3 GLU 8 8.132 0.026 -13.695 72 H TYR 9 H TYR 9 6.399 2.361 -11.867 73 HA TYR 9 HA TYR 9 6.222 2.676 -14.639 74 HB2 TYR 9 HB2 TYR 9 4.369 2.493 -12.789 75 HB3 TYR 9 HB3 TYR 9 4.454 4.251 -12.804 76 HD1 TYR 9 HD1 TYR 9 4.363 5.307 -15.251 77 HD2 TYR 9 HD2 TYR 9 2.841 1.479 -14.186 78 HE1 TYR 9 HE1 TYR 9 2.867 5.366 -17.202 79 HE2 TYR 9 HE2 TYR 9 1.341 1.527 -16.135 80 HH TYR 9 HH TYR 9 0.387 3.983 -17.660 81 H TYR 10 H TYR 10 7.061 4.952 -12.103 82 HA TYR 10 HA TYR 10 6.902 7.304 -13.667 83 HB2 TYR 10 HB2 TYR 10 8.558 6.731 -11.201 84 HB3 TYR 10 HB3 TYR 10 8.265 8.329 -11.878 85 HD1 TYR 10 HD1 TYR 10 5.340 7.919 -12.588 86 HD2 TYR 10 HD2 TYR 10 7.563 7.020 -9.073 87 HE1 TYR 10 HE1 TYR 10 3.287 8.113 -11.247 88 HE2 TYR 10 HE2 TYR 10 5.516 7.210 -7.723 89 HH TYR 10 HH TYR 10 2.428 7.274 -9.064 90 H ASP 11 H ASP 11 9.302 4.825 -13.337 91 HA ASP 11 HA ASP 11 11.584 6.187 -14.199 92 HB2 ASP 11 HB2 ASP 11 11.240 3.730 -13.324 93 HB3 ASP 11 HB3 ASP 11 11.105 3.354 -15.039 94 H VAL 12 H VAL 12 8.899 4.825 -15.994 95 HA VAL 12 HA VAL 12 10.187 5.362 -18.549 96 HB VAL 12 HB VAL 12 7.419 4.288 -17.988 97 HG11 VAL 12 HG11 VAL 12 9.030 4.540 -20.518 98 HG12 VAL 12 HG12 VAL 12 7.618 3.493 -20.369 99 HG13 VAL 12 HG13 VAL 12 7.450 5.237 -20.164 100 HG21 VAL 12 HG21 VAL 12 8.329 2.101 -18.483 101 HG22 VAL 12 HG22 VAL 12 9.924 2.797 -18.769 102 HG23 VAL 12 HG23 VAL 12 9.226 2.829 -17.150 103 H MET 13 H MET 13 7.810 6.742 -16.423 104 HA MET 13 HA MET 13 7.055 8.714 -18.461 105 HB2 MET 13 HB2 MET 13 5.302 7.438 -17.118 106 HB3 MET 13 HB3 MET 13 5.815 8.392 -15.732 107 HG2 MET 13 HG2 MET 13 5.373 10.409 -17.332 108 HG3 MET 13 HG3 MET 13 4.368 9.243 -18.189 109 HE1 MET 13 HE1 MET 13 5.460 10.113 -14.787 110 HE2 MET 13 HE2 MET 13 4.101 11.018 -14.120 111 HE3 MET 13 HE3 MET 13 4.221 9.279 -13.848 112 H THR 14 H THR 14 9.649 8.775 -17.214 113 HA THR 14 HA THR 14 9.565 10.932 -15.276 114 HB THR 14 HB THR 14 11.240 9.017 -15.202 115 HG1 THR 14 HG1 THR 14 11.432 11.151 -14.124 116 HG21 THR 14 HG21 THR 14 12.858 10.624 -17.140 117 HG22 THR 14 HG22 THR 14 11.744 9.393 -17.733 118 HG23 THR 14 HG23 THR 14 13.053 8.944 -16.641 119 H VAL 15 H VAL 15 9.346 10.762 -18.563 120 HA VAL 15 HA VAL 15 10.917 13.163 -19.103 121 HB VAL 15 HB VAL 15 9.268 11.546 -21.047 122 HG11 VAL 15 HG11 VAL 15 11.086 12.624 -22.593 123 HG12 VAL 15 HG12 VAL 15 9.657 13.544 -22.118 124 HG13 VAL 15 HG13 VAL 15 11.193 13.811 -21.293 125 HG21 VAL 15 HG21 VAL 15 11.955 11.096 -19.912 126 HG22 VAL 15 HG22 VAL 15 10.794 9.945 -20.573 127 HG23 VAL 15 HG23 VAL 15 11.803 10.901 -21.658 128 H ILE 16 H ILE 16 8.017 12.634 -17.805 129 HA ILE 16 HA ILE 16 6.954 15.158 -18.830 130 HB ILE 16 HB ILE 16 5.129 12.789 -18.490 131 HG12 ILE 16 HG12 ILE 16 5.159 13.056 -21.145 132 HG13 ILE 16 HG13 ILE 16 6.805 13.589 -20.820 133 HG21 ILE 16 HG21 ILE 16 3.740 14.581 -18.476 134 HG22 ILE 16 HG22 ILE 16 4.868 15.602 -19.366 135 HG23 ILE 16 HG23 ILE 16 3.899 14.404 -20.223 136 HD11 ILE 16 HD11 ILE 16 5.793 11.028 -19.666 137 HD12 ILE 16 HD12 ILE 16 6.358 11.106 -21.335 138 HD13 ILE 16 HD13 ILE 16 7.449 11.524 -20.014 139 H SER 17 H SER 17 7.931 13.451 -16.271 140 HA SER 17 HA SER 17 5.836 14.389 -14.446 141 HB2 SER 17 HB2 SER 17 7.705 12.149 -14.450 142 HB3 SER 17 HB3 SER 17 7.714 13.026 -12.921 143 HG SER 17 HG SER 17 6.125 11.385 -12.947 144 HA PRO 18 HA PRO 18 9.732 16.305 -12.395 145 HB2 PRO 18 HB2 PRO 18 12.153 15.830 -13.528 146 HB3 PRO 18 HB3 PRO 18 11.434 14.763 -12.316 147 HG2 PRO 18 HG2 PRO 18 11.490 14.479 -15.295 148 HG3 PRO 18 HG3 PRO 18 11.759 13.247 -14.049 149 HD2 PRO 18 HD2 PRO 18 9.405 13.499 -15.363 150 HD3 PRO 18 HD3 PRO 18 9.504 12.948 -13.678 151 HA PRO 19 HA PRO 19 11.034 18.530 -16.551 152 HB2 PRO 19 HB2 PRO 19 9.435 17.902 -18.653 153 HB3 PRO 19 HB3 PRO 19 10.943 17.048 -18.304 154 HG2 PRO 19 HG2 PRO 19 8.126 16.261 -17.663 155 HG3 PRO 19 HG3 PRO 19 9.452 15.263 -18.289 156 HD2 PRO 19 HD2 PRO 19 8.730 15.254 -15.680 157 HD3 PRO 19 HD3 PRO 19 10.406 15.000 -16.208 158 H GLU 20 H GLU 20 7.880 17.831 -15.355 159 HA GLU 20 HA GLU 20 6.627 20.171 -16.488 160 HB2 GLU 20 HB2 GLU 20 5.768 17.789 -15.136 161 HB3 GLU 20 HB3 GLU 20 5.093 19.194 -14.324 162 HG2 GLU 20 HG2 GLU 20 4.598 19.847 -16.887 163 HG3 GLU 20 HG3 GLU 20 4.522 18.089 -16.987 164 H PHE 21 H PHE 21 8.489 19.425 -13.715 165 HA PHE 21 HA PHE 21 7.517 21.260 -11.849 166 HB2 PHE 21 HB2 PHE 21 9.682 19.491 -12.021 167 HB3 PHE 21 HB3 PHE 21 10.404 21.074 -11.755 168 HD1 PHE 21 HD1 PHE 21 8.526 22.409 -10.017 169 HD2 PHE 21 HD2 PHE 21 9.774 18.340 -10.031 170 HE1 PHE 21 HE1 PHE 21 8.004 22.245 -7.618 171 HE2 PHE 21 HE2 PHE 21 9.254 18.169 -7.633 172 HZ PHE 21 HZ PHE 21 8.367 20.122 -6.423 173 H GLY 22 H GLY 22 9.653 21.688 -14.601 174 HA2 GLY 22 HA2 GLY 22 10.567 23.567 -15.557 175 HA3 GLY 22 HA3 GLY 22 9.112 24.371 -14.991 Start of MODEL 18 1 H1 TRP 1 H TRP 1 1.174 -2.566 1.885 2 HA TRP 1 HA TRP 1 3.744 -3.588 1.191 3 HB2 TRP 1 HB2 TRP 1 1.268 -2.978 -0.420 4 HB3 TRP 1 HB3 TRP 1 2.739 -3.610 -1.154 5 HD1 TRP 1 HD1 TRP 1 3.032 -5.447 1.765 6 HE1 TRP 1 HE1 TRP 1 1.782 -7.696 1.729 7 HE3 TRP 1 HE3 TRP 1 -0.151 -4.544 -2.133 8 HZ2 TRP 1 HZ2 TRP 1 -0.280 -8.926 0.245 9 HZ3 TRP 1 HZ3 TRP 1 -1.731 -6.309 -2.798 10 HH2 TRP 1 HH2 TRP 1 -1.792 -8.454 -1.633 11 H ARG 2 H ARG 2 5.473 -2.384 0.801 12 HA ARG 2 HA ARG 2 5.516 0.371 0.471 13 HB2 ARG 2 HB2 ARG 2 7.460 -1.828 -0.038 14 HB3 ARG 2 HB3 ARG 2 7.823 -0.242 -0.705 15 HG2 ARG 2 HG2 ARG 2 7.000 -0.055 2.056 16 HG3 ARG 2 HG3 ARG 2 8.374 -1.145 1.858 17 HD2 ARG 2 HD2 ARG 2 9.303 0.779 0.352 18 HD3 ARG 2 HD3 ARG 2 8.156 1.771 1.251 19 HE ARG 2 HE ARG 2 10.643 0.779 2.191 20 HH11 ARG 2 HH11 ARG 2 7.386 1.484 3.201 21 HH12 ARG 2 HH12 ARG 2 7.821 1.767 4.854 22 HH21 ARG 2 HH21 ARG 2 11.228 1.150 4.365 23 HH22 ARG 2 HH22 ARG 2 10.006 1.577 5.515 24 HA PRO 3 HA PRO 3 4.537 1.250 -3.714 25 HB2 PRO 3 HB2 PRO 3 6.327 3.192 -4.342 26 HB3 PRO 3 HB3 PRO 3 4.962 3.460 -3.251 27 HG2 PRO 3 HG2 PRO 3 7.830 2.907 -2.595 28 HG3 PRO 3 HG3 PRO 3 6.719 4.078 -1.860 29 HD2 PRO 3 HD2 PRO 3 7.292 1.693 -0.712 30 HD3 PRO 3 HD3 PRO 3 5.710 2.481 -0.539 31 H TYR 4 H TYR 4 5.070 -0.681 -4.772 32 HA TYR 4 HA TYR 4 7.805 -1.018 -5.734 33 HB2 TYR 4 HB2 TYR 4 6.020 -2.843 -4.822 34 HB3 TYR 4 HB3 TYR 4 5.727 -2.954 -6.554 35 HD1 TYR 4 HD2 TYR 4 7.540 -3.662 -8.074 36 HD2 TYR 4 HD1 TYR 4 8.051 -3.661 -3.850 37 HE1 TYR 4 HE2 TYR 4 9.510 -5.114 -8.318 38 HE2 TYR 4 HE1 TYR 4 10.023 -5.113 -4.082 39 HH TYR 4 HH TYR 4 10.961 -6.451 -7.202 40 H LEU 5 H LEU 5 4.586 -0.279 -6.888 41 HA LEU 5 HA LEU 5 5.591 -0.146 -9.646 42 HB2 LEU 5 HB2 LEU 5 3.013 0.214 -10.030 43 HB3 LEU 5 HB3 LEU 5 3.699 -1.395 -9.819 44 HG LEU 5 HG LEU 5 2.649 0.042 -7.427 45 HD11 LEU 5 HD11 LEU 5 1.020 0.058 -9.499 46 HD12 LEU 5 HD12 LEU 5 0.441 -0.314 -7.876 47 HD13 LEU 5 HD13 LEU 5 0.766 -1.619 -9.017 48 HD21 LEU 5 HD21 LEU 5 2.569 -2.028 -6.496 49 HD22 LEU 5 HD22 LEU 5 3.838 -2.326 -7.685 50 HD23 LEU 5 HD23 LEU 5 2.179 -2.823 -8.021 51 H GLN 6 H GLN 6 4.150 1.732 -7.068 52 HA GLN 6 HA GLN 6 3.392 4.029 -8.393 53 HB2 GLN 6 HB2 GLN 6 3.783 3.253 -5.720 54 HB3 GLN 6 HB3 GLN 6 4.736 4.715 -5.934 55 HG2 GLN 6 HG2 GLN 6 2.771 5.666 -5.354 56 HG3 GLN 6 HG3 GLN 6 2.506 5.549 -7.093 57 HE21 GLN 6 HE21 GLN 6 1.253 4.872 -4.092 58 HE22 GLN 6 HE22 GLN 6 0.041 3.731 -4.553 59 H THR 7 H THR 7 6.616 3.112 -7.252 60 HA THR 7 HA THR 7 7.794 5.548 -8.286 61 HB THR 7 HB THR 7 8.657 4.534 -6.203 62 HG1 THR 7 HG1 THR 7 10.670 5.126 -6.703 63 HG21 THR 7 HG21 THR 7 9.926 2.384 -7.867 64 HG22 THR 7 HG22 THR 7 8.334 2.149 -7.145 65 HG23 THR 7 HG23 THR 7 9.731 2.465 -6.117 66 H GLU 8 H GLU 8 7.360 2.241 -9.270 67 HA GLU 8 HA GLU 8 9.376 2.168 -11.265 68 HB2 GLU 8 HB2 GLU 8 7.419 0.395 -10.220 69 HB3 GLU 8 HB3 GLU 8 7.192 0.460 -11.962 70 HG2 GLU 8 HG2 GLU 8 9.674 0.026 -12.168 71 HG3 GLU 8 HG3 GLU 8 9.653 -0.341 -10.444 72 H TYR 9 H TYR 9 6.046 3.244 -11.215 73 HA TYR 9 HA TYR 9 5.722 3.444 -14.033 74 HB2 TYR 9 HB2 TYR 9 3.935 3.429 -12.122 75 HB3 TYR 9 HB3 TYR 9 4.206 5.168 -12.103 76 HD1 TYR 9 HD1 TYR 9 4.140 6.282 -14.531 77 HD2 TYR 9 HD2 TYR 9 2.241 2.627 -13.464 78 HE1 TYR 9 HE1 TYR 9 2.581 6.550 -16.414 79 HE2 TYR 9 HE2 TYR 9 0.678 2.884 -15.345 80 HH TYR 9 HH TYR 9 1.072 4.556 -17.851 81 H TYR 10 H TYR 10 6.853 5.638 -11.530 82 HA TYR 10 HA TYR 10 6.857 8.004 -13.049 83 HB2 TYR 10 HB2 TYR 10 8.619 7.192 -10.729 84 HB3 TYR 10 HB3 TYR 10 8.492 8.827 -11.369 85 HD1 TYR 10 HD1 TYR 10 5.510 8.858 -11.864 86 HD2 TYR 10 HD2 TYR 10 7.808 7.530 -8.538 87 HE1 TYR 10 HE1 TYR 10 3.600 9.295 -10.377 88 HE2 TYR 10 HE2 TYR 10 5.904 7.962 -7.042 89 HH TYR 10 HH TYR 10 2.982 9.537 -8.195 90 H ASP 11 H ASP 11 9.037 5.302 -12.927 91 HA ASP 11 HA ASP 11 11.331 6.496 -14.024 92 HB2 ASP 11 HB2 ASP 11 10.877 4.082 -13.020 93 HB3 ASP 11 HB3 ASP 11 10.653 3.674 -14.719 94 H VAL 12 H VAL 12 8.615 4.820 -15.586 95 HA VAL 12 HA VAL 12 9.623 5.276 -18.231 96 HB VAL 12 HB VAL 12 6.809 4.513 -17.452 97 HG11 VAL 12 HG11 VAL 12 6.430 4.544 -19.639 98 HG12 VAL 12 HG12 VAL 12 8.108 4.990 -19.954 99 HG13 VAL 12 HG13 VAL 12 7.651 3.290 -19.846 100 HG21 VAL 12 HG21 VAL 12 7.881 2.176 -18.148 101 HG22 VAL 12 HG22 VAL 12 9.326 2.947 -17.493 102 HG23 VAL 12 HG23 VAL 12 7.891 2.763 -16.485 103 H MET 13 H MET 13 7.544 6.973 -16.024 104 HA MET 13 HA MET 13 6.755 8.857 -18.131 105 HB2 MET 13 HB2 MET 13 5.041 7.812 -16.557 106 HB3 MET 13 HB3 MET 13 5.741 8.813 -15.292 107 HG2 MET 13 HG2 MET 13 5.304 10.747 -16.992 108 HG3 MET 13 HG3 MET 13 4.145 9.608 -17.674 109 HE1 MET 13 HE1 MET 13 4.380 11.678 -13.749 110 HE2 MET 13 HE2 MET 13 4.387 9.962 -13.345 111 HE3 MET 13 HE3 MET 13 5.598 10.612 -14.450 112 H THR 14 H THR 14 9.447 8.803 -17.116 113 HA THR 14 HA THR 14 9.688 11.083 -15.339 114 HB THR 14 HB THR 14 11.223 9.052 -15.271 115 HG1 THR 14 HG1 THR 14 12.760 11.385 -15.609 116 HG21 THR 14 HG21 THR 14 11.534 9.199 -17.843 117 HG22 THR 14 HG22 THR 14 12.921 8.779 -16.838 118 HG23 THR 14 HG23 THR 14 12.747 10.420 -17.459 119 H VAL 15 H VAL 15 9.167 10.711 -18.576 120 HA VAL 15 HA VAL 15 10.856 12.934 -19.427 121 HB VAL 15 HB VAL 15 8.899 11.342 -21.086 122 HG11 VAL 15 HG11 VAL 15 9.332 13.229 -22.327 123 HG12 VAL 15 HG12 VAL 15 10.962 13.414 -21.678 124 HG13 VAL 15 HG13 VAL 15 10.624 12.162 -22.873 125 HG21 VAL 15 HG21 VAL 15 11.119 10.297 -21.921 126 HG22 VAL 15 HG22 VAL 15 11.762 10.838 -20.371 127 HG23 VAL 15 HG23 VAL 15 10.407 9.711 -20.418 128 H ILE 16 H ILE 16 8.051 12.730 -17.842 129 HA ILE 16 HA ILE 16 7.106 15.273 -18.933 130 HB ILE 16 HB ILE 16 5.135 13.096 -18.281 131 HG12 ILE 16 HG12 ILE 16 4.943 13.204 -20.941 132 HG13 ILE 16 HG13 ILE 16 6.650 13.608 -20.794 133 HG21 ILE 16 HG21 ILE 16 4.022 14.815 -20.109 134 HG22 ILE 16 HG22 ILE 16 3.779 14.868 -18.364 135 HG23 ILE 16 HG23 ILE 16 5.009 15.885 -19.113 136 HD11 ILE 16 HD11 ILE 16 6.872 11.375 -20.922 137 HD12 ILE 16 HD12 ILE 16 6.558 11.469 -19.189 138 HD13 ILE 16 HD13 ILE 16 5.250 11.066 -20.302 139 H SER 17 H SER 17 8.178 13.646 -16.363 140 HA SER 17 HA SER 17 6.339 14.854 -14.426 141 HB2 SER 17 HB2 SER 17 8.047 12.484 -14.444 142 HB3 SER 17 HB3 SER 17 8.237 13.446 -12.978 143 HG SER 17 HG SER 17 5.726 13.409 -13.217 144 HA PRO 18 HA PRO 18 10.533 16.583 -12.855 145 HB2 PRO 18 HB2 PRO 18 12.802 15.845 -14.151 146 HB3 PRO 18 HB3 PRO 18 12.116 14.918 -12.811 147 HG2 PRO 18 HG2 PRO 18 11.886 14.441 -15.757 148 HG3 PRO 18 HG3 PRO 18 12.173 13.273 -14.453 149 HD2 PRO 18 HD2 PRO 18 9.737 13.628 -15.581 150 HD3 PRO 18 HD3 PRO 18 9.944 13.180 -13.875 151 HA PRO 19 HA PRO 19 11.622 18.428 -17.251 152 HB2 PRO 19 HB2 PRO 19 9.802 17.796 -19.164 153 HB3 PRO 19 HB3 PRO 19 11.267 16.849 -18.882 154 HG2 PRO 19 HG2 PRO 19 8.468 16.330 -17.955 155 HG3 PRO 19 HG3 PRO 19 9.656 15.192 -18.618 156 HD2 PRO 19 HD2 PRO 19 9.169 15.407 -15.963 157 HD3 PRO 19 HD3 PRO 19 10.768 14.988 -16.609 158 H GLU 20 H GLU 20 8.543 18.059 -15.749 159 HA GLU 20 HA GLU 20 7.371 20.415 -16.936 160 HB2 GLU 20 HB2 GLU 20 6.461 18.198 -15.355 161 HB3 GLU 20 HB3 GLU 20 5.964 19.701 -14.590 162 HG2 GLU 20 HG2 GLU 20 5.523 19.593 -17.485 163 HG3 GLU 20 HG3 GLU 20 4.589 18.431 -16.544 164 H PHE 21 H PHE 21 9.410 19.700 -14.282 165 HA PHE 21 HA PHE 21 8.743 21.720 -12.474 166 HB2 PHE 21 HB2 PHE 21 10.748 19.778 -12.701 167 HB3 PHE 21 HB3 PHE 21 11.607 21.312 -12.609 168 HD1 PHE 21 HD1 PHE 21 9.927 22.885 -10.827 169 HD2 PHE 21 HD2 PHE 21 10.998 18.770 -10.641 170 HE1 PHE 21 HE1 PHE 21 9.610 22.916 -8.387 171 HE2 PHE 21 HE2 PHE 21 10.682 18.794 -8.201 172 HZ PHE 21 HZ PHE 21 9.986 20.869 -7.071 173 H GLY 22 H GLY 22 10.649 21.805 -15.420 174 HA2 GLY 22 HA2 GLY 22 11.611 23.541 -16.577 175 HA3 GLY 22 HA3 GLY 22 10.275 24.493 -15.945 Start of MODEL 19 1 H1 TRP 1 H TRP 1 2.831 -2.475 3.776 2 HA TRP 1 HA TRP 1 4.935 -2.500 2.744 3 HB2 TRP 1 HB2 TRP 1 2.906 -3.145 0.596 4 HB3 TRP 1 HB3 TRP 1 4.627 -3.502 0.472 5 HD1 TRP 1 HD1 TRP 1 4.351 -4.282 3.844 6 HE1 TRP 1 HE1 TRP 1 3.666 -6.720 4.306 7 HE3 TRP 1 HE3 TRP 1 2.468 -5.481 -0.755 8 HZ2 TRP 1 HZ2 TRP 1 2.484 -8.867 2.905 9 HZ3 TRP 1 HZ3 TRP 1 1.580 -7.748 -1.112 10 HH2 TRP 1 HH2 TRP 1 1.589 -9.404 0.682 11 H ARG 2 H ARG 2 6.241 -1.826 0.795 12 HA ARG 2 HA ARG 2 5.791 1.006 0.345 13 HB2 ARG 2 HB2 ARG 2 8.075 -0.803 0.326 14 HB3 ARG 2 HB3 ARG 2 8.075 0.285 -1.056 15 HG2 ARG 2 HG2 ARG 2 9.299 1.419 0.563 16 HG3 ARG 2 HG3 ARG 2 7.697 2.153 0.649 17 HD2 ARG 2 HD2 ARG 2 7.988 -0.166 2.388 18 HD3 ARG 2 HD3 ARG 2 9.127 1.126 2.766 19 HE ARG 2 HE ARG 2 6.278 1.156 3.150 20 HH11 ARG 2 HH11 ARG 2 9.131 3.101 2.708 21 HH12 ARG 2 HH12 ARG 2 8.455 4.500 3.474 22 HH21 ARG 2 HH21 ARG 2 5.377 2.992 4.161 23 HH22 ARG 2 HH22 ARG 2 6.320 4.436 4.302 24 HA PRO 3 HA PRO 3 4.302 0.799 -3.775 25 HB2 PRO 3 HB2 PRO 3 5.608 2.853 -4.977 26 HB3 PRO 3 HB3 PRO 3 4.316 3.097 -3.797 27 HG2 PRO 3 HG2 PRO 3 7.282 3.213 -3.409 28 HG3 PRO 3 HG3 PRO 3 6.027 4.296 -2.777 29 HD2 PRO 3 HD2 PRO 3 7.160 2.346 -1.277 30 HD3 PRO 3 HD3 PRO 3 5.473 2.858 -1.062 31 H TYR 4 H TYR 4 4.788 -0.765 -5.173 32 HA TYR 4 HA TYR 4 7.583 -1.155 -5.974 33 HB2 TYR 4 HB2 TYR 4 5.751 -2.980 -5.101 34 HB3 TYR 4 HB3 TYR 4 5.586 -3.136 -6.846 35 HD1 TYR 4 HD1 TYR 4 7.875 -3.344 -8.152 36 HD2 TYR 4 HD2 TYR 4 7.357 -4.248 -4.027 37 HE1 TYR 4 HE1 TYR 4 9.881 -4.766 -8.217 38 HE2 TYR 4 HE2 TYR 4 9.362 -5.671 -4.080 39 HH TYR 4 HH TYR 4 11.569 -5.683 -5.686 40 H LEU 5 H LEU 5 4.386 -0.469 -7.216 41 HA LEU 5 HA LEU 5 5.456 -0.363 -9.950 42 HB2 LEU 5 HB2 LEU 5 2.885 -0.039 -10.403 43 HB3 LEU 5 HB3 LEU 5 3.584 -1.637 -10.152 44 HG LEU 5 HG LEU 5 2.459 -0.178 -7.807 45 HD11 LEU 5 HD11 LEU 5 0.266 -0.569 -8.305 46 HD12 LEU 5 HD12 LEU 5 0.636 -1.882 -9.423 47 HD13 LEU 5 HD13 LEU 5 0.881 -0.207 -9.918 48 HD21 LEU 5 HD21 LEU 5 3.679 -2.535 -8.002 49 HD22 LEU 5 HD22 LEU 5 2.036 -3.057 -8.373 50 HD23 LEU 5 HD23 LEU 5 2.378 -2.236 -6.849 51 H GLN 6 H GLN 6 3.932 1.534 -7.435 52 HA GLN 6 HA GLN 6 3.180 3.804 -8.811 53 HB2 GLN 6 HB2 GLN 6 3.512 3.069 -6.119 54 HB3 GLN 6 HB3 GLN 6 4.458 4.537 -6.329 55 HG2 GLN 6 HG2 GLN 6 2.433 5.416 -5.760 56 HG3 GLN 6 HG3 GLN 6 2.296 5.401 -7.517 57 HE21 GLN 6 HE21 GLN 6 0.091 5.488 -5.840 58 HE22 GLN 6 HE22 GLN 6 -0.792 4.011 -5.997 59 H THR 7 H THR 7 6.385 2.939 -7.579 60 HA THR 7 HA THR 7 7.561 5.374 -8.620 61 HB THR 7 HB THR 7 8.384 4.400 -6.502 62 HG1 THR 7 HG1 THR 7 9.824 5.677 -7.696 63 HG21 THR 7 HG21 THR 7 8.111 1.998 -7.412 64 HG22 THR 7 HG22 THR 7 9.486 2.345 -6.363 65 HG23 THR 7 HG23 THR 7 9.712 2.241 -8.108 66 H GLU 8 H GLU 8 7.190 2.048 -9.565 67 HA GLU 8 HA GLU 8 9.255 1.969 -11.508 68 HB2 GLU 8 HB2 GLU 8 7.292 0.191 -10.487 69 HB3 GLU 8 HB3 GLU 8 7.101 0.232 -12.234 70 HG2 GLU 8 HG2 GLU 8 9.872 -0.002 -11.312 71 HG3 GLU 8 HG3 GLU 8 8.834 -1.366 -10.901 72 H TYR 9 H TYR 9 5.905 2.993 -11.564 73 HA TYR 9 HA TYR 9 5.652 3.157 -14.388 74 HB2 TYR 9 HB2 TYR 9 3.820 3.156 -12.521 75 HB3 TYR 9 HB3 TYR 9 4.076 4.898 -12.523 76 HD1 TYR 9 HD2 TYR 9 4.061 5.972 -14.970 77 HD2 TYR 9 HD1 TYR 9 2.166 2.318 -13.890 78 HE1 TYR 9 HE2 TYR 9 2.545 6.196 -16.894 79 HE2 TYR 9 HE1 TYR 9 0.646 2.532 -15.812 80 HH TYR 9 HH TYR 9 0.730 3.722 -18.102 81 H TYR 10 H TYR 10 6.702 5.400 -11.894 82 HA TYR 10 HA TYR 10 6.726 7.742 -13.453 83 HB2 TYR 10 HB2 TYR 10 8.430 6.986 -11.072 84 HB3 TYR 10 HB3 TYR 10 8.307 8.608 -11.744 85 HD1 TYR 10 HD2 TYR 10 5.339 8.600 -12.319 86 HD2 TYR 10 HD1 TYR 10 7.557 7.351 -8.910 87 HE1 TYR 10 HE2 TYR 10 3.385 9.045 -10.892 88 HE2 TYR 10 HE1 TYR 10 5.609 7.792 -7.474 89 HH TYR 10 HH TYR 10 2.609 9.137 -8.810 90 H ASP 11 H ASP 11 8.969 5.088 -13.164 91 HA ASP 11 HA ASP 11 11.283 6.239 -14.195 92 HB2 ASP 11 HB2 ASP 11 10.824 3.842 -13.252 93 HB3 ASP 11 HB3 ASP 11 10.509 3.439 -14.937 94 H VAL 12 H VAL 12 8.482 4.882 -15.863 95 HA VAL 12 HA VAL 12 9.645 5.336 -18.474 96 HB VAL 12 HB VAL 12 6.801 4.564 -17.812 97 HG11 VAL 12 HG11 VAL 12 6.510 4.834 -20.003 98 HG12 VAL 12 HG12 VAL 12 8.238 5.074 -20.273 99 HG13 VAL 12 HG13 VAL 12 7.568 3.442 -20.232 100 HG21 VAL 12 HG21 VAL 12 7.960 2.810 -16.872 101 HG22 VAL 12 HG22 VAL 12 7.770 2.245 -18.532 102 HG23 VAL 12 HG23 VAL 12 9.302 2.945 -18.009 103 H MET 13 H MET 13 7.491 6.956 -16.277 104 HA MET 13 HA MET 13 6.811 8.942 -18.327 105 HB2 MET 13 HB2 MET 13 5.021 7.846 -16.880 106 HB3 MET 13 HB3 MET 13 5.673 8.780 -15.540 107 HG2 MET 13 HG2 MET 13 5.329 10.795 -17.168 108 HG3 MET 13 HG3 MET 13 4.191 9.701 -17.950 109 HE1 MET 13 HE1 MET 13 4.246 9.856 -13.602 110 HE2 MET 13 HE2 MET 13 5.510 10.540 -14.624 111 HE3 MET 13 HE3 MET 13 4.272 11.589 -13.929 112 H THR 14 H THR 14 9.455 8.814 -17.201 113 HA THR 14 HA THR 14 9.638 11.008 -15.312 114 HB THR 14 HB THR 14 11.151 8.960 -15.270 115 HG1 THR 14 HG1 THR 14 12.746 11.265 -15.433 116 HG21 THR 14 HG21 THR 14 11.577 9.206 -17.813 117 HG22 THR 14 HG22 THR 14 12.923 8.749 -16.769 118 HG23 THR 14 HG23 THR 14 12.770 10.412 -17.334 119 H VAL 15 H VAL 15 9.256 10.790 -18.582 120 HA VAL 15 HA VAL 15 11.000 13.030 -19.256 121 HB VAL 15 HB VAL 15 9.104 11.537 -21.070 122 HG11 VAL 15 HG11 VAL 15 9.607 13.474 -22.202 123 HG12 VAL 15 HG12 VAL 15 11.209 13.611 -21.476 124 HG13 VAL 15 HG13 VAL 15 10.912 12.419 -22.741 125 HG21 VAL 15 HG21 VAL 15 11.456 10.594 -21.833 126 HG22 VAL 15 HG22 VAL 15 11.860 10.914 -20.147 127 HG23 VAL 15 HG23 VAL 15 10.527 9.830 -20.543 128 H ILE 16 H ILE 16 8.127 12.784 -17.805 129 HA ILE 16 HA ILE 16 7.254 15.385 -18.817 130 HB ILE 16 HB ILE 16 5.236 13.202 -18.352 131 HG12 ILE 16 HG12 ILE 16 5.162 13.434 -21.010 132 HG13 ILE 16 HG13 ILE 16 6.864 13.812 -20.772 133 HG21 ILE 16 HG21 ILE 16 3.978 14.828 -19.957 134 HG22 ILE 16 HG22 ILE 16 4.125 15.216 -18.244 135 HG23 ILE 16 HG23 ILE 16 5.190 15.990 -19.417 136 HD11 ILE 16 HD11 ILE 16 6.137 11.372 -21.219 137 HD12 ILE 16 HD12 ILE 16 7.354 11.704 -19.985 138 HD13 ILE 16 HD13 ILE 16 5.686 11.377 -19.515 139 H SER 17 H SER 17 8.198 13.631 -16.281 140 HA SER 17 HA SER 17 6.287 14.769 -14.372 141 HB2 SER 17 HB2 SER 17 7.972 12.384 -14.425 142 HB3 SER 17 HB3 SER 17 8.106 13.276 -12.910 143 HG SER 17 HG SER 17 5.608 13.278 -13.259 144 HA PRO 18 HA PRO 18 10.423 16.379 -12.543 145 HB2 PRO 18 HB2 PRO 18 12.739 15.676 -13.772 146 HB3 PRO 18 HB3 PRO 18 11.987 14.697 -12.507 147 HG2 PRO 18 HG2 PRO 18 11.882 14.357 -15.479 148 HG3 PRO 18 HG3 PRO 18 12.102 13.128 -14.220 149 HD2 PRO 18 HD2 PRO 18 9.720 13.560 -15.434 150 HD3 PRO 18 HD3 PRO 18 9.848 13.032 -13.744 151 HA PRO 19 HA PRO 19 11.719 18.410 -16.798 152 HB2 PRO 19 HB2 PRO 19 9.979 17.887 -18.815 153 HB3 PRO 19 HB3 PRO 19 11.422 16.911 -18.514 154 HG2 PRO 19 HG2 PRO 19 8.581 16.381 -17.734 155 HG3 PRO 19 HG3 PRO 19 9.787 15.262 -18.396 156 HD2 PRO 19 HD2 PRO 19 9.185 15.361 -15.758 157 HD3 PRO 19 HD3 PRO 19 10.808 14.954 -16.353 158 H GLU 20 H GLU 20 8.574 18.007 -15.450 159 HA GLU 20 HA GLU 20 7.476 20.427 -16.577 160 HB2 GLU 20 HB2 GLU 20 6.478 18.151 -15.140 161 HB3 GLU 20 HB3 GLU 20 5.962 19.623 -14.328 162 HG2 GLU 20 HG2 GLU 20 5.469 20.202 -16.955 163 HG3 GLU 20 HG3 GLU 20 5.105 18.479 -16.867 164 H PHE 21 H PHE 21 9.392 19.571 -13.874 165 HA PHE 21 HA PHE 21 8.664 21.513 -12.005 166 HB2 PHE 21 HB2 PHE 21 10.660 19.562 -12.234 167 HB3 PHE 21 HB3 PHE 21 11.528 21.080 -12.035 168 HD1 PHE 21 HD1 PHE 21 8.567 19.336 -10.577 169 HD2 PHE 21 HD2 PHE 21 12.031 21.712 -9.893 170 HE1 PHE 21 HE1 PHE 21 8.140 19.254 -8.155 171 HE2 PHE 21 HE2 PHE 21 11.611 21.634 -7.471 172 HZ PHE 21 HZ PHE 21 9.664 20.403 -6.598 173 H GLY 22 H GLY 22 10.642 21.723 -14.886 174 HA2 GLY 22 HA2 GLY 22 11.662 23.500 -15.927 175 HA3 GLY 22 HA3 GLY 22 10.335 24.443 -15.266 Start of MODEL 20 1 H1 TRP 1 H TRP 1 2.649 -9.054 -2.928 2 HA TRP 1 HA TRP 1 3.075 -7.379 -1.423 3 HB2 TRP 1 HB2 TRP 1 4.164 -9.365 -0.097 4 HB3 TRP 1 HB3 TRP 1 5.677 -8.621 -0.606 5 HD1 TRP 1 HD1 TRP 1 3.834 -5.669 -0.246 6 HE1 TRP 1 HE1 TRP 1 3.939 -4.670 2.124 7 HE3 TRP 1 HE3 TRP 1 5.488 -9.784 2.299 8 HZ2 TRP 1 HZ2 TRP 1 4.632 -5.513 4.727 9 HZ3 TRP 1 HZ3 TRP 1 5.847 -9.604 4.726 10 HH2 TRP 1 HH2 TRP 1 5.428 -7.512 5.913 11 H ARG 2 H ARG 2 3.408 -6.379 -3.601 12 HA ARG 2 HA ARG 2 6.208 -5.535 -3.960 13 HB2 ARG 2 HB2 ARG 2 4.051 -6.202 -5.873 14 HB3 ARG 2 HB3 ARG 2 5.047 -4.815 -6.291 15 HG2 ARG 2 HG2 ARG 2 6.174 -6.523 -7.326 16 HG3 ARG 2 HG3 ARG 2 7.025 -6.430 -5.783 17 HD2 ARG 2 HD2 ARG 2 6.639 -8.716 -6.104 18 HD3 ARG 2 HD3 ARG 2 5.385 -8.210 -4.972 19 HE ARG 2 HE ARG 2 4.504 -8.080 -7.683 20 HH11 ARG 2 HH11 ARG 2 5.035 -10.238 -5.003 21 HH12 ARG 2 HH12 ARG 2 3.854 -11.391 -5.528 22 HH21 ARG 2 HH21 ARG 2 2.946 -9.592 -8.385 23 HH22 ARG 2 HH22 ARG 2 2.667 -11.023 -7.453 24 HA PRO 3 HA PRO 3 3.822 -1.832 -2.493 25 HB2 PRO 3 HB2 PRO 3 5.733 -1.001 -0.752 26 HB3 PRO 3 HB3 PRO 3 4.486 -2.176 -0.320 27 HG2 PRO 3 HG2 PRO 3 7.331 -2.643 -1.125 28 HG3 PRO 3 HG3 PRO 3 6.394 -3.411 0.170 29 HD2 PRO 3 HD2 PRO 3 6.827 -4.606 -2.221 30 HD3 PRO 3 HD3 PRO 3 5.344 -4.863 -1.280 31 H TYR 4 H TYR 4 5.019 0.465 -2.088 32 HA TYR 4 HA TYR 4 6.101 2.229 -3.034 33 HB2 TYR 4 HB2 TYR 4 7.911 0.255 -4.421 34 HB3 TYR 4 HB3 TYR 4 8.265 1.918 -3.967 35 HD1 TYR 4 HD2 TYR 4 7.556 2.142 -1.213 36 HD2 TYR 4 HD1 TYR 4 9.266 -1.186 -3.237 37 HE1 TYR 4 HE2 TYR 4 8.528 1.360 0.906 38 HE2 TYR 4 HE1 TYR 4 10.242 -1.978 -1.123 39 HH TYR 4 HH TYR 4 10.218 -0.042 1.751 40 H LEU 5 H LEU 5 5.201 3.391 -4.588 41 HA LEU 5 HA LEU 5 5.137 2.427 -7.319 42 HB2 LEU 5 HB2 LEU 5 2.593 3.280 -7.232 43 HB3 LEU 5 HB3 LEU 5 3.068 1.592 -7.055 44 HG LEU 5 HG LEU 5 2.896 3.199 -4.573 45 HD11 LEU 5 HD11 LEU 5 0.330 2.078 -5.481 46 HD12 LEU 5 HD12 LEU 5 0.850 3.558 -6.287 47 HD13 LEU 5 HD13 LEU 5 0.669 3.526 -4.533 48 HD21 LEU 5 HD21 LEU 5 1.590 0.575 -4.898 49 HD22 LEU 5 HD22 LEU 5 2.614 1.184 -3.597 50 HD23 LEU 5 HD23 LEU 5 3.342 0.599 -5.093 51 H GLN 6 H GLN 6 4.246 4.958 -5.017 52 HA GLN 6 HA GLN 6 3.756 7.070 -6.704 53 HB2 GLN 6 HB2 GLN 6 4.045 6.780 -4.002 54 HB3 GLN 6 HB3 GLN 6 5.441 7.773 -4.399 55 HG2 GLN 6 HG2 GLN 6 3.851 9.361 -3.950 56 HG3 GLN 6 HG3 GLN 6 3.720 9.212 -5.702 57 HE21 GLN 6 HE21 GLN 6 1.989 7.925 -6.555 58 HE22 GLN 6 HE22 GLN 6 0.520 7.753 -5.662 59 H THR 7 H THR 7 6.896 5.878 -5.578 60 HA THR 7 HA THR 7 8.296 7.832 -7.221 61 HB THR 7 HB THR 7 9.195 7.370 -4.995 62 HG1 THR 7 HG1 THR 7 10.560 7.626 -7.077 63 HG21 THR 7 HG21 THR 7 10.246 4.715 -5.662 64 HG22 THR 7 HG22 THR 7 8.495 4.768 -5.451 65 HG23 THR 7 HG23 THR 7 9.558 5.315 -4.154 66 H GLU 8 H GLU 8 7.508 4.429 -7.198 67 HA GLU 8 HA GLU 8 9.354 3.612 -9.188 68 HB2 GLU 8 HB2 GLU 8 7.158 2.434 -7.696 69 HB3 GLU 8 HB3 GLU 8 7.163 1.897 -9.370 70 HG2 GLU 8 HG2 GLU 8 9.719 1.851 -7.855 71 HG3 GLU 8 HG3 GLU 8 8.507 0.617 -7.516 72 H TYR 9 H TYR 9 6.390 5.327 -9.307 73 HA TYR 9 HA TYR 9 5.808 4.660 -12.062 74 HB2 TYR 9 HB2 TYR 9 4.163 5.341 -10.104 75 HB3 TYR 9 HB3 TYR 9 4.520 6.968 -10.671 76 HD1 TYR 9 HD2 TYR 9 4.401 7.153 -13.369 77 HD2 TYR 9 HD1 TYR 9 2.282 4.345 -10.976 78 HE1 TYR 9 HE2 TYR 9 2.728 6.902 -15.155 79 HE2 TYR 9 HE1 TYR 9 0.604 4.085 -12.756 80 HH TYR 9 HH TYR 9 -0.212 5.077 -14.676 81 H TYR 10 H TYR 10 7.181 7.349 -10.247 82 HA TYR 10 HA TYR 10 7.282 9.267 -12.261 83 HB2 TYR 10 HB2 TYR 10 9.184 8.771 -9.965 84 HB3 TYR 10 HB3 TYR 10 9.218 10.210 -10.977 85 HD1 TYR 10 HD2 TYR 10 6.253 10.626 -11.278 86 HD2 TYR 10 HD1 TYR 10 8.626 9.691 -7.872 87 HE1 TYR 10 HE2 TYR 10 4.577 11.690 -9.825 88 HE2 TYR 10 HE1 TYR 10 6.956 10.751 -6.410 89 HH TYR 10 HH TYR 10 4.618 12.796 -7.471 90 H ASP 11 H ASP 11 9.382 6.534 -11.613 91 HA ASP 11 HA ASP 11 11.533 7.217 -13.269 92 HB2 ASP 11 HB2 ASP 11 10.491 4.429 -12.734 93 HB3 ASP 11 HB3 ASP 11 12.127 4.871 -13.217 94 H VAL 12 H VAL 12 8.603 5.335 -13.982 95 HA VAL 12 HA VAL 12 9.285 5.009 -16.751 96 HB VAL 12 HB VAL 12 6.603 4.584 -15.428 97 HG11 VAL 12 HG11 VAL 12 5.931 4.239 -17.525 98 HG12 VAL 12 HG12 VAL 12 7.584 4.282 -18.142 99 HG13 VAL 12 HG13 VAL 12 6.919 2.779 -17.501 100 HG21 VAL 12 HG21 VAL 12 7.285 2.205 -15.309 101 HG22 VAL 12 HG22 VAL 12 8.907 2.676 -15.817 102 HG23 VAL 12 HG23 VAL 12 8.260 3.257 -14.283 103 H MET 13 H MET 13 7.484 7.309 -14.861 104 HA MET 13 HA MET 13 6.471 8.593 -17.297 105 HB2 MET 13 HB2 MET 13 4.943 8.066 -15.325 106 HB3 MET 13 HB3 MET 13 5.788 9.342 -14.458 107 HG2 MET 13 HG2 MET 13 5.169 10.770 -16.555 108 HG3 MET 13 HG3 MET 13 3.936 9.531 -16.780 109 HE1 MET 13 HE1 MET 13 5.745 11.306 -14.115 110 HE2 MET 13 HE2 MET 13 4.612 12.548 -13.582 111 HE3 MET 13 HE3 MET 13 4.668 10.991 -12.755 112 H THR 14 H THR 14 9.260 8.716 -16.607 113 HA THR 14 HA THR 14 9.716 11.375 -15.540 114 HB THR 14 HB THR 14 11.240 9.386 -15.098 115 HG1 THR 14 HG1 THR 14 12.751 11.470 -16.225 116 HG21 THR 14 HG21 THR 14 12.785 8.684 -16.717 117 HG22 THR 14 HG22 THR 14 12.446 10.060 -17.766 118 HG23 THR 14 HG23 THR 14 11.256 8.770 -17.591 119 H VAL 15 H VAL 15 8.821 10.181 -18.482 120 HA VAL 15 HA VAL 15 10.406 12.048 -20.071 121 HB VAL 15 HB VAL 15 8.288 10.123 -21.031 122 HG11 VAL 15 HG11 VAL 15 8.579 11.597 -22.771 123 HG12 VAL 15 HG12 VAL 15 10.268 11.912 -22.365 124 HG13 VAL 15 HG13 VAL 15 9.814 10.394 -23.140 125 HG21 VAL 15 HG21 VAL 15 10.988 9.643 -20.101 126 HG22 VAL 15 HG22 VAL 15 9.721 8.491 -20.522 127 HG23 VAL 15 HG23 VAL 15 10.773 9.143 -21.778 128 H ILE 16 H ILE 16 7.801 12.355 -18.198 129 HA ILE 16 HA ILE 16 6.727 14.531 -19.828 130 HB ILE 16 HB ILE 16 4.852 12.663 -18.397 131 HG12 ILE 16 HG12 ILE 16 4.359 12.054 -20.948 132 HG13 ILE 16 HG13 ILE 16 6.070 12.440 -21.107 133 HG21 ILE 16 HG21 ILE 16 4.617 15.144 -19.876 134 HG22 ILE 16 HG22 ILE 16 3.573 13.881 -20.527 135 HG23 ILE 16 HG23 ILE 16 3.449 14.338 -18.829 136 HD11 ILE 16 HD11 ILE 16 6.214 10.818 -19.006 137 HD12 ILE 16 HD12 ILE 16 4.751 10.174 -19.751 138 HD13 ILE 16 HD13 ILE 16 6.255 10.235 -20.669 139 H SER 17 H SER 17 8.086 13.627 -17.044 140 HA SER 17 HA SER 17 6.475 15.370 -15.323 141 HB2 SER 17 HB2 SER 17 8.147 13.022 -14.878 142 HB3 SER 17 HB3 SER 17 8.526 14.335 -13.764 143 HG SER 17 HG SER 17 6.857 12.997 -12.962 144 HA PRO 18 HA PRO 18 10.828 17.312 -14.738 145 HB2 PRO 18 HB2 PRO 18 12.929 16.180 -16.031 146 HB3 PRO 18 HB3 PRO 18 12.400 15.666 -14.425 147 HG2 PRO 18 HG2 PRO 18 11.830 14.432 -17.092 148 HG3 PRO 18 HG3 PRO 18 12.263 13.643 -15.564 149 HD2 PRO 18 HD2 PRO 18 9.714 13.768 -16.469 150 HD3 PRO 18 HD3 PRO 18 10.115 13.781 -14.740 151 HA PRO 19 HA PRO 19 11.406 17.886 -19.559 152 HB2 PRO 19 HB2 PRO 19 9.375 16.833 -21.020 153 HB3 PRO 19 HB3 PRO 19 10.860 15.944 -20.659 154 HG2 PRO 19 HG2 PRO 19 8.186 15.786 -19.323 155 HG3 PRO 19 HG3 PRO 19 9.285 14.473 -19.785 156 HD2 PRO 19 HD2 PRO 19 9.109 15.401 -17.247 157 HD3 PRO 19 HD3 PRO 19 10.622 14.771 -17.931 158 H GLU 20 H GLU 20 8.521 18.034 -17.683 159 HA GLU 20 HA GLU 20 7.227 20.029 -19.319 160 HB2 GLU 20 HB2 GLU 20 6.500 18.345 -17.111 161 HB3 GLU 20 HB3 GLU 20 6.101 20.013 -16.726 162 HG2 GLU 20 HG2 GLU 20 4.903 20.143 -18.916 163 HG3 GLU 20 HG3 GLU 20 5.161 18.407 -19.086 164 H PHE 21 H PHE 21 9.556 19.975 -16.812 165 HA PHE 21 HA PHE 21 9.111 22.424 -15.549 166 HB2 PHE 21 HB2 PHE 21 11.071 20.424 -15.471 167 HB3 PHE 21 HB3 PHE 21 11.938 21.900 -15.884 168 HD1 PHE 21 HD1 PHE 21 9.243 20.825 -13.533 169 HD2 PHE 21 HD2 PHE 21 12.788 23.103 -14.134 170 HE1 PHE 21 HE1 PHE 21 9.204 21.503 -11.169 171 HE2 PHE 21 HE2 PHE 21 12.755 23.783 -11.770 172 HZ PHE 21 HZ PHE 21 10.962 22.983 -10.284 173 H GLY 22 H GLY 22 10.624 21.661 -18.616 174 HA2 GLY 22 HA2 GLY 22 11.444 22.993 -20.299 175 HA3 GLY 22 HA3 GLY 22 10.218 24.137 -19.776 Start of MODEL 21 1 H1 TRP 1 H TRP 1 5.211 -7.093 3.739 2 HA TRP 1 HA TRP 1 4.168 -6.728 1.703 3 HB2 TRP 1 HB2 TRP 1 2.201 -5.115 3.338 4 HB3 TRP 1 HB3 TRP 1 2.094 -5.341 1.595 5 HD1 TRP 1 HD1 TRP 1 3.151 -8.569 2.270 6 HE1 TRP 1 HE1 TRP 1 1.246 -10.210 2.821 7 HE3 TRP 1 HE3 TRP 1 -0.519 -5.199 3.416 8 HZ2 TRP 1 HZ2 TRP 1 -1.454 -10.092 3.634 9 HZ3 TRP 1 HZ3 TRP 1 -2.735 -6.045 4.070 10 HH2 TRP 1 HH2 TRP 1 -3.191 -8.441 4.176 11 H ARG 2 H ARG 2 5.931 -5.662 0.909 12 HA ARG 2 HA ARG 2 5.924 -2.730 1.208 13 HB2 ARG 2 HB2 ARG 2 8.355 -4.465 0.748 14 HB3 ARG 2 HB3 ARG 2 8.334 -2.732 1.041 15 HG2 ARG 2 HG2 ARG 2 7.391 -4.788 3.025 16 HG3 ARG 2 HG3 ARG 2 9.015 -4.098 3.000 17 HD2 ARG 2 HD2 ARG 2 6.753 -2.192 2.988 18 HD3 ARG 2 HD3 ARG 2 7.018 -3.097 4.477 19 HE ARG 2 HE ARG 2 9.482 -2.100 3.716 20 HH11 ARG 2 HH11 ARG 2 6.368 -0.828 4.614 21 HH12 ARG 2 HH12 ARG 2 7.013 0.633 5.284 22 HH21 ARG 2 HH21 ARG 2 10.343 -0.180 4.595 23 HH22 ARG 2 HH22 ARG 2 9.274 1.001 5.272 24 HA PRO 3 HA PRO 3 5.321 -3.878 -3.264 25 HB2 PRO 3 HB2 PRO 3 3.263 -2.157 -3.679 26 HB3 PRO 3 HB3 PRO 3 3.032 -3.801 -3.072 27 HG2 PRO 3 HG2 PRO 3 3.115 -1.218 -1.561 28 HG3 PRO 3 HG3 PRO 3 2.012 -2.592 -1.367 29 HD2 PRO 3 HD2 PRO 3 4.128 -2.181 0.271 30 HD3 PRO 3 HD3 PRO 3 3.537 -3.805 -0.136 31 H TYR 4 H TYR 4 5.293 -2.336 -5.154 32 HA TYR 4 HA TYR 4 6.070 0.378 -4.764 33 HB2 TYR 4 HB2 TYR 4 8.374 0.017 -5.844 34 HB3 TYR 4 HB3 TYR 4 8.204 -0.381 -4.138 35 HD1 TYR 4 HD2 TYR 4 8.252 -2.698 -3.388 36 HD2 TYR 4 HD1 TYR 4 8.709 -1.719 -7.504 37 HE1 TYR 4 HE2 TYR 4 9.091 -4.968 -3.829 38 HE2 TYR 4 HE1 TYR 4 9.548 -3.987 -7.956 39 HH TYR 4 HH TYR 4 9.676 -6.441 -5.405 40 H LEU 5 H LEU 5 5.332 1.425 -6.481 41 HA LEU 5 HA LEU 5 5.754 0.442 -9.155 42 HB2 LEU 5 HB2 LEU 5 3.124 0.867 -9.459 43 HB3 LEU 5 HB3 LEU 5 3.832 -0.721 -9.173 44 HG LEU 5 HG LEU 5 3.032 0.842 -6.786 45 HD11 LEU 5 HD11 LEU 5 0.883 -0.686 -8.148 46 HD12 LEU 5 HD12 LEU 5 1.229 0.946 -8.719 47 HD13 LEU 5 HD13 LEU 5 0.775 0.679 -7.036 48 HD21 LEU 5 HD21 LEU 5 3.908 -1.711 -7.275 49 HD22 LEU 5 HD22 LEU 5 2.165 -1.924 -7.109 50 HD23 LEU 5 HD23 LEU 5 3.089 -1.167 -5.810 51 H GLN 6 H GLN 6 4.150 2.787 -7.053 52 HA GLN 6 HA GLN 6 3.578 4.798 -8.841 53 HB2 GLN 6 HB2 GLN 6 3.555 4.540 -6.098 54 HB3 GLN 6 HB3 GLN 6 4.750 5.805 -6.355 55 HG2 GLN 6 HG2 GLN 6 3.207 7.308 -6.927 56 HG3 GLN 6 HG3 GLN 6 2.328 6.160 -7.936 57 HE21 GLN 6 HE21 GLN 6 1.449 4.280 -6.334 58 HE22 GLN 6 HE22 GLN 6 0.449 4.910 -5.074 59 H THR 7 H THR 7 6.649 4.233 -7.144 60 HA THR 7 HA THR 7 7.975 6.410 -8.458 61 HB THR 7 HB THR 7 8.632 5.573 -6.198 62 HG1 THR 7 HG1 THR 7 10.092 6.628 -7.929 63 HG21 THR 7 HG21 THR 7 9.916 3.568 -5.958 64 HG22 THR 7 HG22 THR 7 9.930 3.303 -7.701 65 HG23 THR 7 HG23 THR 7 8.424 3.145 -6.798 66 H GLU 8 H GLU 8 7.406 3.080 -9.162 67 HA GLU 8 HA GLU 8 9.580 2.811 -11.032 68 HB2 GLU 8 HB2 GLU 8 8.882 0.810 -9.950 69 HB3 GLU 8 HB3 GLU 8 7.197 1.089 -10.367 70 HG2 GLU 8 HG2 GLU 8 7.483 0.420 -12.551 71 HG3 GLU 8 HG3 GLU 8 9.215 0.747 -12.535 72 H TYR 9 H TYR 9 6.383 4.035 -11.104 73 HA TYR 9 HA TYR 9 6.069 3.711 -13.970 74 HB2 TYR 9 HB2 TYR 9 4.236 3.760 -12.028 75 HB3 TYR 9 HB3 TYR 9 4.255 5.478 -12.407 76 HD1 TYR 9 HD2 TYR 9 4.129 6.000 -15.019 77 HD2 TYR 9 HD1 TYR 9 2.748 2.423 -13.176 78 HE1 TYR 9 HE2 TYR 9 2.634 5.600 -16.930 79 HE2 TYR 9 HE1 TYR 9 1.250 2.012 -15.082 80 HH TYR 9 HH TYR 9 1.045 2.625 -17.429 81 H TYR 10 H TYR 10 7.018 6.161 -11.678 82 HA TYR 10 HA TYR 10 6.759 8.416 -13.355 83 HB2 TYR 10 HB2 TYR 10 8.625 7.948 -11.021 84 HB3 TYR 10 HB3 TYR 10 8.307 9.512 -11.763 85 HD1 TYR 10 HD1 TYR 10 5.323 9.145 -12.188 86 HD2 TYR 10 HD2 TYR 10 7.827 8.379 -8.834 87 HE1 TYR 10 HE1 TYR 10 3.402 9.470 -10.687 88 HE2 TYR 10 HE2 TYR 10 5.913 8.700 -7.324 89 HH TYR 10 HH TYR 10 2.827 9.863 -8.491 90 H ASP 11 H ASP 11 9.272 6.014 -12.959 91 HA ASP 11 HA ASP 11 11.395 7.317 -14.217 92 HB2 ASP 11 HB2 ASP 11 10.651 4.465 -13.760 93 HB3 ASP 11 HB3 ASP 11 11.941 4.809 -14.909 94 H VAL 12 H VAL 12 8.663 5.553 -15.560 95 HA VAL 12 HA VAL 12 9.650 5.636 -18.257 96 HB VAL 12 HB VAL 12 6.853 5.059 -17.271 97 HG11 VAL 12 HG11 VAL 12 7.172 3.683 -19.595 98 HG12 VAL 12 HG12 VAL 12 6.393 5.261 -19.461 99 HG13 VAL 12 HG13 VAL 12 8.091 5.151 -19.929 100 HG21 VAL 12 HG21 VAL 12 7.826 2.662 -17.979 101 HG22 VAL 12 HG22 VAL 12 9.312 3.427 -17.418 102 HG23 VAL 12 HG23 VAL 12 7.925 3.297 -16.337 103 H MET 13 H MET 13 7.528 7.588 -16.265 104 HA MET 13 HA MET 13 6.933 9.322 -18.556 105 HB2 MET 13 HB2 MET 13 5.093 8.442 -17.024 106 HB3 MET 13 HB3 MET 13 5.737 9.524 -15.796 107 HG2 MET 13 HG2 MET 13 5.464 11.329 -17.662 108 HG3 MET 13 HG3 MET 13 4.325 10.165 -18.336 109 HE1 MET 13 HE1 MET 13 5.579 11.381 -15.101 110 HE2 MET 13 HE2 MET 13 4.341 12.518 -14.566 111 HE3 MET 13 HE3 MET 13 4.279 10.835 -14.040 112 H THR 14 H THR 14 9.550 9.279 -17.347 113 HA THR 14 HA THR 14 9.740 11.686 -15.742 114 HB THR 14 HB THR 14 11.210 9.629 -15.421 115 HG1 THR 14 HG1 THR 14 12.824 11.900 -15.824 116 HG21 THR 14 HG21 THR 14 11.699 9.519 -17.941 117 HG22 THR 14 HG22 THR 14 13.043 9.247 -16.832 118 HG23 THR 14 HG23 THR 14 12.864 10.807 -17.635 119 H VAL 15 H VAL 15 9.423 11.076 -18.970 120 HA VAL 15 HA VAL 15 11.225 13.186 -19.871 121 HB VAL 15 HB VAL 15 9.334 11.518 -21.531 122 HG11 VAL 15 HG11 VAL 15 11.201 12.159 -23.254 123 HG12 VAL 15 HG12 VAL 15 9.896 13.289 -22.885 124 HG13 VAL 15 HG13 VAL 15 11.481 13.496 -22.138 125 HG21 VAL 15 HG21 VAL 15 11.796 10.545 -22.087 126 HG22 VAL 15 HG22 VAL 15 11.967 10.906 -20.369 127 HG23 VAL 15 HG23 VAL 15 10.688 9.824 -20.920 128 H ILE 16 H ILE 16 8.332 13.187 -18.454 129 HA ILE 16 HA ILE 16 7.532 15.658 -19.792 130 HB ILE 16 HB ILE 16 5.455 13.586 -19.124 131 HG12 ILE 16 HG12 ILE 16 6.774 14.089 -21.801 132 HG13 ILE 16 HG13 ILE 16 6.930 12.630 -20.829 133 HG21 ILE 16 HG21 ILE 16 5.358 16.305 -19.831 134 HG22 ILE 16 HG22 ILE 16 4.794 15.401 -21.236 135 HG23 ILE 16 HG23 ILE 16 4.010 15.179 -19.673 136 HD11 ILE 16 HD11 ILE 16 5.344 11.940 -22.293 137 HD12 ILE 16 HD12 ILE 16 4.296 12.644 -21.062 138 HD13 ILE 16 HD13 ILE 16 4.685 13.560 -22.517 139 H SER 17 H SER 17 8.373 14.189 -17.044 140 HA SER 17 HA SER 17 6.449 15.587 -15.331 141 HB2 SER 17 HB2 SER 17 8.070 13.173 -15.063 142 HB3 SER 17 HB3 SER 17 8.194 14.231 -13.658 143 HG SER 17 HG SER 17 5.704 14.253 -14.074 144 HA PRO 18 HA PRO 18 10.584 17.299 -13.592 145 HB2 PRO 18 HB2 PRO 18 12.908 16.402 -14.670 146 HB3 PRO 18 HB3 PRO 18 12.101 15.595 -13.320 147 HG2 PRO 18 HG2 PRO 18 12.056 14.914 -16.235 148 HG3 PRO 18 HG3 PRO 18 12.213 13.835 -14.836 149 HD2 PRO 18 HD2 PRO 18 9.873 14.181 -16.154 150 HD3 PRO 18 HD3 PRO 18 9.947 13.850 -14.412 151 HA PRO 19 HA PRO 19 12.033 18.789 -18.019 152 HB2 PRO 19 HB2 PRO 19 10.325 18.077 -20.006 153 HB3 PRO 19 HB3 PRO 19 11.733 17.108 -19.557 154 HG2 PRO 19 HG2 PRO 19 8.862 16.743 -18.794 155 HG3 PRO 19 HG3 PRO 19 10.051 15.525 -19.291 156 HD2 PRO 19 HD2 PRO 19 9.393 15.945 -16.698 157 HD3 PRO 19 HD3 PRO 19 11.017 15.432 -17.200 158 H GLU 20 H GLU 20 8.848 18.623 -16.715 159 HA GLU 20 HA GLU 20 7.843 20.922 -18.142 160 HB2 GLU 20 HB2 GLU 20 6.751 18.854 -16.477 161 HB3 GLU 20 HB3 GLU 20 6.258 20.422 -15.855 162 HG2 GLU 20 HG2 GLU 20 5.980 20.345 -18.713 163 HG3 GLU 20 HG3 GLU 20 5.126 18.995 -17.967 164 H PHE 21 H PHE 21 9.681 20.343 -15.317 165 HA PHE 21 HA PHE 21 8.961 22.515 -13.710 166 HB2 PHE 21 HB2 PHE 21 10.901 20.489 -13.649 167 HB3 PHE 21 HB3 PHE 21 11.803 22.000 -13.583 168 HD1 PHE 21 HD1 PHE 21 8.708 20.556 -12.072 169 HD2 PHE 21 HD2 PHE 21 12.282 22.793 -11.493 170 HE1 PHE 21 HE1 PHE 21 8.192 20.752 -9.675 171 HE2 PHE 21 HE2 PHE 21 11.772 22.993 -9.094 172 HZ PHE 21 HZ PHE 21 9.726 21.971 -8.182 173 H GLY 22 H GLY 22 10.815 22.358 -16.631 174 HA2 GLY 22 HA2 GLY 22 12.404 24.615 -16.487 175 HA3 GLY 22 HA3 GLY 22 11.668 24.020 -17.968 Start of MODEL 22 1 H1 TRP 1 H TRP 1 3.179 -7.601 2.234 2 HA TRP 1 HA TRP 1 5.092 -8.020 0.708 3 HB2 TRP 1 HB2 TRP 1 2.611 -6.718 -0.399 4 HB3 TRP 1 HB3 TRP 1 3.877 -7.344 -1.452 5 HD1 TRP 1 HD1 TRP 1 4.191 -9.837 0.928 6 HE1 TRP 1 HE1 TRP 1 2.607 -11.835 0.582 7 HE3 TRP 1 HE3 TRP 1 0.787 -7.644 -2.192 8 HZ2 TRP 1 HZ2 TRP 1 0.229 -12.407 -0.827 9 HZ3 TRP 1 HZ3 TRP 1 -1.113 -8.985 -2.995 10 HH2 TRP 1 HH2 TRP 1 -1.384 -11.318 -2.325 11 H ARG 2 H ARG 2 3.968 -4.700 0.994 12 HA ARG 2 HA ARG 2 4.912 -2.700 0.455 13 HB2 ARG 2 HB2 ARG 2 7.178 -4.445 1.243 14 HB3 ARG 2 HB3 ARG 2 7.588 -2.942 0.427 15 HG2 ARG 2 HG2 ARG 2 7.225 -1.762 2.266 16 HG3 ARG 2 HG3 ARG 2 5.630 -2.485 2.488 17 HD2 ARG 2 HD2 ARG 2 6.668 -4.429 3.557 18 HD3 ARG 2 HD3 ARG 2 8.258 -3.698 3.339 19 HE ARG 2 HE ARG 2 7.845 -2.339 5.138 20 HH11 ARG 2 HH11 ARG 2 4.866 -3.811 4.098 21 HH12 ARG 2 HH12 ARG 2 3.961 -3.253 5.466 22 HH21 ARG 2 HH21 ARG 2 6.664 -1.599 6.944 23 HH22 ARG 2 HH22 ARG 2 4.985 -1.994 7.084 24 HA PRO 3 HA PRO 3 5.467 -4.008 -3.969 25 HB2 PRO 3 HB2 PRO 3 3.491 -2.415 -4.932 26 HB3 PRO 3 HB3 PRO 3 3.197 -4.047 -4.321 27 HG2 PRO 3 HG2 PRO 3 2.807 -1.413 -2.952 28 HG3 PRO 3 HG3 PRO 3 1.751 -2.838 -2.959 29 HD2 PRO 3 HD2 PRO 3 3.401 -2.257 -0.892 30 HD3 PRO 3 HD3 PRO 3 2.995 -3.924 -1.351 31 H TYR 4 H TYR 4 5.361 -2.260 -5.913 32 HA TYR 4 HA TYR 4 6.440 0.311 -5.117 33 HB2 TYR 4 HB2 TYR 4 8.085 -1.609 -6.779 34 HB3 TYR 4 HB3 TYR 4 8.515 0.054 -6.395 35 HD1 TYR 4 HD2 TYR 4 9.105 0.669 -4.064 36 HD2 TYR 4 HD1 TYR 4 8.441 -3.374 -5.212 37 HE1 TYR 4 HE2 TYR 4 10.237 -0.092 -2.017 38 HE2 TYR 4 HE1 TYR 4 9.570 -4.146 -3.168 39 HH TYR 4 HH TYR 4 10.031 -3.202 -0.852 40 H LEU 5 H LEU 5 5.495 1.758 -6.377 41 HA LEU 5 HA LEU 5 5.303 1.323 -9.238 42 HB2 LEU 5 HB2 LEU 5 2.802 2.239 -8.872 43 HB3 LEU 5 HB3 LEU 5 3.211 0.534 -9.048 44 HG LEU 5 HG LEU 5 3.200 1.639 -6.298 45 HD11 LEU 5 HD11 LEU 5 0.987 2.001 -6.094 46 HD12 LEU 5 HD12 LEU 5 0.564 0.778 -7.291 47 HD13 LEU 5 HD13 LEU 5 1.103 2.373 -7.814 48 HD21 LEU 5 HD21 LEU 5 3.541 -0.824 -7.319 49 HD22 LEU 5 HD22 LEU 5 1.796 -0.842 -7.058 50 HD23 LEU 5 HD23 LEU 5 2.887 -0.518 -5.709 51 H GLN 6 H GLN 6 4.619 3.414 -6.471 52 HA GLN 6 HA GLN 6 4.148 5.818 -7.712 53 HB2 GLN 6 HB2 GLN 6 5.045 4.949 -5.098 54 HB3 GLN 6 HB3 GLN 6 5.803 6.469 -5.554 55 HG2 GLN 6 HG2 GLN 6 3.959 7.389 -4.697 56 HG3 GLN 6 HG3 GLN 6 3.230 6.952 -6.242 57 HE21 GLN 6 HE21 GLN 6 1.593 7.275 -4.156 58 HE22 GLN 6 HE22 GLN 6 0.992 5.756 -3.595 59 H THR 7 H THR 7 7.283 4.332 -6.995 60 HA THR 7 HA THR 7 8.687 6.505 -8.330 61 HB THR 7 HB THR 7 9.673 5.621 -6.280 62 HG1 THR 7 HG1 THR 7 11.228 4.883 -8.554 63 HG21 THR 7 HG21 THR 7 10.576 3.090 -7.439 64 HG22 THR 7 HG22 THR 7 8.836 3.165 -7.164 65 HG23 THR 7 HG23 THR 7 9.953 3.439 -5.827 66 H GLU 8 H GLU 8 7.760 3.180 -8.877 67 HA GLU 8 HA GLU 8 9.472 2.682 -11.081 68 HB2 GLU 8 HB2 GLU 8 7.301 1.324 -9.709 69 HB3 GLU 8 HB3 GLU 8 7.209 1.098 -11.450 70 HG2 GLU 8 HG2 GLU 8 8.502 -0.685 -10.797 71 HG3 GLU 8 HG3 GLU 8 9.720 0.503 -11.260 72 H TYR 9 H TYR 9 6.601 4.506 -10.727 73 HA TYR 9 HA TYR 9 5.855 4.365 -13.522 74 HB2 TYR 9 HB2 TYR 9 4.327 4.718 -11.395 75 HB3 TYR 9 HB3 TYR 9 4.726 6.411 -11.659 76 HD1 TYR 9 HD1 TYR 9 4.494 7.121 -14.258 77 HD2 TYR 9 HD2 TYR 9 2.372 3.967 -12.347 78 HE1 TYR 9 HE1 TYR 9 2.737 7.272 -15.973 79 HE2 TYR 9 HE2 TYR 9 0.610 4.108 -14.057 80 HH TYR 9 HH TYR 9 -0.271 5.888 -15.649 81 H TYR 10 H TYR 10 7.415 6.631 -11.321 82 HA TYR 10 HA TYR 10 7.498 8.884 -12.950 83 HB2 TYR 10 HB2 TYR 10 9.486 7.910 -10.892 84 HB3 TYR 10 HB3 TYR 10 9.532 9.511 -11.623 85 HD1 TYR 10 HD2 TYR 10 6.578 10.073 -11.681 86 HD2 TYR 10 HD1 TYR 10 9.065 8.441 -8.638 87 HE1 TYR 10 HE2 TYR 10 5.019 10.903 -9.969 88 HE2 TYR 10 HE1 TYR 10 7.511 9.266 -6.918 89 HH TYR 10 HH TYR 10 4.427 10.703 -7.766 90 H ASP 11 H ASP 11 9.417 5.971 -13.014 91 HA ASP 11 HA ASP 11 11.547 6.895 -14.608 92 HB2 ASP 11 HB2 ASP 11 10.367 4.125 -14.321 93 HB3 ASP 11 HB3 ASP 11 11.877 4.478 -15.157 94 H VAL 12 H VAL 12 8.473 5.339 -15.466 95 HA VAL 12 HA VAL 12 9.003 5.510 -18.291 96 HB VAL 12 HB VAL 12 6.383 4.903 -16.917 97 HG11 VAL 12 HG11 VAL 12 5.768 5.250 -19.090 98 HG12 VAL 12 HG12 VAL 12 7.349 4.791 -19.728 99 HG13 VAL 12 HG13 VAL 12 6.224 3.548 -19.179 100 HG21 VAL 12 HG21 VAL 12 8.507 2.983 -17.869 101 HG22 VAL 12 HG22 VAL 12 8.174 3.381 -16.184 102 HG23 VAL 12 HG23 VAL 12 6.953 2.555 -17.152 103 H MET 13 H MET 13 7.434 7.457 -15.884 104 HA MET 13 HA MET 13 6.300 9.203 -17.952 105 HB2 MET 13 HB2 MET 13 4.899 8.360 -15.996 106 HB3 MET 13 HB3 MET 13 5.859 9.426 -14.979 107 HG2 MET 13 HG2 MET 13 5.151 11.237 -16.723 108 HG3 MET 13 HG3 MET 13 3.851 10.100 -17.069 109 HE1 MET 13 HE1 MET 13 4.903 12.459 -13.453 110 HE2 MET 13 HE2 MET 13 4.942 10.780 -12.913 111 HE3 MET 13 HE3 MET 13 5.932 11.290 -14.282 112 H THR 14 H THR 14 9.135 9.114 -17.474 113 HA THR 14 HA THR 14 9.780 11.514 -15.978 114 HB THR 14 HB THR 14 11.244 9.430 -16.033 115 HG1 THR 14 HG1 THR 14 12.759 11.649 -16.859 116 HG21 THR 14 HG21 THR 14 12.239 10.575 -18.632 117 HG22 THR 14 HG22 THR 14 11.075 9.252 -18.568 118 HG23 THR 14 HG23 THR 14 12.680 9.049 -17.868 119 H VAL 15 H VAL 15 8.628 10.911 -19.010 120 HA VAL 15 HA VAL 15 10.177 12.986 -20.356 121 HB VAL 15 HB VAL 15 7.893 11.354 -21.467 122 HG11 VAL 15 HG11 VAL 15 8.125 13.118 -22.924 123 HG12 VAL 15 HG12 VAL 15 9.855 13.284 -22.618 124 HG13 VAL 15 HG13 VAL 15 9.258 11.957 -23.615 125 HG21 VAL 15 HG21 VAL 15 9.271 9.605 -21.400 126 HG22 VAL 15 HG22 VAL 15 10.266 10.446 -22.590 127 HG23 VAL 15 HG23 VAL 15 10.624 10.604 -20.870 128 H ILE 16 H ILE 16 7.731 13.027 -18.251 129 HA ILE 16 HA ILE 16 6.660 15.515 -19.352 130 HB ILE 16 HB ILE 16 4.797 13.482 -18.150 131 HG12 ILE 16 HG12 ILE 16 4.092 13.390 -20.723 132 HG13 ILE 16 HG13 ILE 16 5.805 13.731 -20.942 133 HG21 ILE 16 HG21 ILE 16 3.704 15.487 -18.046 134 HG22 ILE 16 HG22 ILE 16 4.540 16.141 -19.453 135 HG23 ILE 16 HG23 ILE 16 3.237 14.972 -19.667 136 HD11 ILE 16 HD11 ILE 16 6.452 11.706 -20.111 137 HD12 ILE 16 HD12 ILE 16 5.010 11.532 -19.109 138 HD13 ILE 16 HD13 ILE 16 4.910 11.276 -20.851 139 H SER 17 H SER 17 8.170 14.051 -16.907 140 HA SER 17 HA SER 17 6.777 15.484 -14.763 141 HB2 SER 17 HB2 SER 17 8.384 13.050 -14.907 142 HB3 SER 17 HB3 SER 17 8.882 14.115 -13.592 143 HG SER 17 HG SER 17 6.372 14.167 -13.341 144 HA PRO 18 HA PRO 18 11.242 17.150 -14.181 145 HB2 PRO 18 HB2 PRO 18 13.193 16.216 -15.821 146 HB3 PRO 18 HB3 PRO 18 12.757 15.428 -14.300 147 HG2 PRO 18 HG2 PRO 18 11.944 14.731 -17.095 148 HG3 PRO 18 HG3 PRO 18 12.449 13.658 -15.777 149 HD2 PRO 18 HD2 PRO 18 9.850 14.027 -16.440 150 HD3 PRO 18 HD3 PRO 18 10.373 13.706 -14.775 151 HA PRO 19 HA PRO 19 11.500 18.596 -18.845 152 HB2 PRO 19 HB2 PRO 19 9.326 17.895 -20.311 153 HB3 PRO 19 HB3 PRO 19 10.792 16.910 -20.237 154 HG2 PRO 19 HG2 PRO 19 8.215 16.586 -18.748 155 HG3 PRO 19 HG3 PRO 19 9.220 15.351 -19.528 156 HD2 PRO 19 HD2 PRO 19 9.266 15.794 -16.857 157 HD3 PRO 19 HD3 PRO 19 10.697 15.257 -17.760 158 H GLU 20 H GLU 20 8.766 18.479 -16.753 159 HA GLU 20 HA GLU 20 7.448 20.783 -17.889 160 HB2 GLU 20 HB2 GLU 20 6.805 18.738 -15.980 161 HB3 GLU 20 HB3 GLU 20 6.508 20.316 -15.264 162 HG2 GLU 20 HG2 GLU 20 5.271 20.811 -17.486 163 HG3 GLU 20 HG3 GLU 20 5.239 19.057 -17.653 164 H PHE 21 H PHE 21 9.952 20.195 -15.636 165 HA PHE 21 HA PHE 21 9.700 22.385 -13.915 166 HB2 PHE 21 HB2 PHE 21 11.567 20.334 -14.344 167 HB3 PHE 21 HB3 PHE 21 12.471 21.834 -14.526 168 HD1 PHE 21 HD1 PHE 21 9.839 20.467 -12.255 169 HD2 PHE 21 HD2 PHE 21 13.504 22.597 -12.636 170 HE1 PHE 21 HE1 PHE 21 9.966 20.680 -9.807 171 HE2 PHE 21 HE2 PHE 21 13.637 22.813 -10.189 172 HZ PHE 21 HZ PHE 21 11.867 21.853 -8.771 173 H GLY 22 H GLY 22 10.729 22.188 -17.216 174 HA2 GLY 22 HA2 GLY 22 12.325 24.424 -17.509 175 HA3 GLY 22 HA3 GLY 22 11.224 23.831 -18.743 Start of MODEL 23 1 H1 TRP 1 H TRP 1 4.664 -8.861 0.004 2 HA TRP 1 HA TRP 1 4.053 -6.754 0.871 3 HB2 TRP 1 HB2 TRP 1 5.647 -8.226 2.358 4 HB3 TRP 1 HB3 TRP 1 6.793 -6.921 2.066 5 HD1 TRP 1 HD1 TRP 1 3.981 -4.891 2.126 6 HE1 TRP 1 HE1 TRP 1 3.323 -4.073 4.476 7 HE3 TRP 1 HE3 TRP 1 6.573 -8.294 4.925 8 HZ2 TRP 1 HZ2 TRP 1 3.836 -4.777 7.161 9 HZ3 TRP 1 HZ3 TRP 1 6.437 -8.152 7.378 10 HH2 TRP 1 HH2 TRP 1 5.096 -6.429 8.471 11 H ARG 2 H ARG 2 3.948 -4.811 -0.023 12 HA ARG 2 HA ARG 2 4.511 -2.894 -1.117 13 HB2 ARG 2 HB2 ARG 2 5.849 -2.850 1.152 14 HB3 ARG 2 HB3 ARG 2 7.243 -3.009 0.092 15 HG2 ARG 2 HG2 ARG 2 6.959 -0.703 0.497 16 HG3 ARG 2 HG3 ARG 2 6.395 -0.994 -1.149 17 HD2 ARG 2 HD2 ARG 2 4.070 -1.138 -0.236 18 HD3 ARG 2 HD3 ARG 2 4.713 -0.628 1.324 19 HE ARG 2 HE ARG 2 5.578 1.304 -0.356 20 HH11 ARG 2 HH11 ARG 2 2.453 -0.102 0.261 21 HH12 ARG 2 HH12 ARG 2 1.582 1.345 -0.122 22 HH21 ARG 2 HH21 ARG 2 4.441 3.215 -0.863 23 HH22 ARG 2 HH22 ARG 2 2.713 3.231 -0.762 24 HA PRO 3 HA PRO 3 6.927 -5.240 -4.316 25 HB2 PRO 3 HB2 PRO 3 5.118 -4.852 -6.303 26 HB3 PRO 3 HB3 PRO 3 5.017 -6.198 -5.162 27 HG2 PRO 3 HG2 PRO 3 3.547 -3.590 -5.150 28 HG3 PRO 3 HG3 PRO 3 2.934 -5.221 -4.823 29 HD2 PRO 3 HD2 PRO 3 3.535 -3.467 -2.849 30 HD3 PRO 3 HD3 PRO 3 3.729 -5.221 -2.659 31 H TYR 4 H TYR 4 5.584 -2.081 -3.996 32 HA TYR 4 HA TYR 4 6.266 -0.041 -4.740 33 HB2 TYR 4 HB2 TYR 4 8.653 -1.391 -5.993 34 HB3 TYR 4 HB3 TYR 4 8.519 0.270 -5.427 35 HD1 TYR 4 HD2 TYR 4 7.883 0.439 -2.824 36 HD2 TYR 4 HD1 TYR 4 9.834 -2.860 -4.670 37 HE1 TYR 4 HE2 TYR 4 8.810 -0.224 -0.644 38 HE2 TYR 4 HE1 TYR 4 10.766 -3.533 -2.496 39 HH TYR 4 HH TYR 4 10.530 -3.239 -0.221 40 H LEU 5 H LEU 5 5.381 1.034 -6.372 41 HA LEU 5 HA LEU 5 5.754 0.158 -9.112 42 HB2 LEU 5 HB2 LEU 5 3.123 0.551 -9.299 43 HB3 LEU 5 HB3 LEU 5 3.843 -1.034 -9.020 44 HG LEU 5 HG LEU 5 3.149 0.538 -6.612 45 HD11 LEU 5 HD11 LEU 5 0.911 -0.929 -7.894 46 HD12 LEU 5 HD12 LEU 5 1.275 0.696 -8.473 47 HD13 LEU 5 HD13 LEU 5 0.881 0.433 -6.775 48 HD21 LEU 5 HD21 LEU 5 2.960 -1.512 -5.643 49 HD22 LEU 5 HD22 LEU 5 4.053 -1.933 -6.962 50 HD23 LEU 5 HD23 LEU 5 2.328 -2.270 -7.104 51 H GLN 6 H GLN 6 4.212 2.437 -6.888 52 HA GLN 6 HA GLN 6 3.573 4.484 -8.618 53 HB2 GLN 6 HB2 GLN 6 3.442 4.184 -5.946 54 HB3 GLN 6 HB3 GLN 6 4.804 5.292 -6.045 55 HG2 GLN 6 HG2 GLN 6 3.278 6.699 -7.560 56 HG3 GLN 6 HG3 GLN 6 1.971 5.715 -6.903 57 HE21 GLN 6 HE21 GLN 6 1.085 7.606 -5.978 58 HE22 GLN 6 HE22 GLN 6 1.741 8.279 -4.529 59 H THR 7 H THR 7 6.678 3.920 -6.983 60 HA THR 7 HA THR 7 7.952 6.143 -8.274 61 HB THR 7 HB THR 7 8.651 5.280 -6.036 62 HG1 THR 7 HG1 THR 7 10.762 5.776 -6.429 63 HG21 THR 7 HG21 THR 7 8.494 2.835 -6.873 64 HG22 THR 7 HG22 THR 7 9.790 3.265 -5.757 65 HG23 THR 7 HG23 THR 7 10.127 3.106 -7.480 66 H GLU 8 H GLU 8 7.441 2.807 -9.013 67 HA GLU 8 HA GLU 8 9.591 2.601 -10.914 68 HB2 GLU 8 HB2 GLU 8 8.928 0.575 -9.856 69 HB3 GLU 8 HB3 GLU 8 7.237 0.837 -10.256 70 HG2 GLU 8 HG2 GLU 8 7.513 0.199 -12.449 71 HG3 GLU 8 HG3 GLU 8 9.238 0.560 -12.447 72 H TYR 9 H TYR 9 6.382 3.790 -10.934 73 HA TYR 9 HA TYR 9 6.039 3.504 -13.802 74 HB2 TYR 9 HB2 TYR 9 4.229 3.511 -11.831 75 HB3 TYR 9 HB3 TYR 9 4.220 5.231 -12.203 76 HD1 TYR 9 HD2 TYR 9 4.081 5.744 -14.828 77 HD2 TYR 9 HD1 TYR 9 2.724 2.174 -12.952 78 HE1 TYR 9 HE2 TYR 9 2.569 5.329 -16.723 79 HE2 TYR 9 HE1 TYR 9 1.209 1.749 -14.842 80 HH TYR 9 HH TYR 9 1.141 3.903 -17.661 81 H TYR 10 H TYR 10 6.964 5.939 -11.479 82 HA TYR 10 HA TYR 10 6.667 8.213 -13.119 83 HB2 TYR 10 HB2 TYR 10 8.563 7.729 -10.812 84 HB3 TYR 10 HB3 TYR 10 8.225 9.301 -11.528 85 HD1 TYR 10 HD1 TYR 10 5.242 8.926 -11.929 86 HD2 TYR 10 HD2 TYR 10 7.781 8.113 -8.613 87 HE1 TYR 10 HE1 TYR 10 3.334 9.213 -10.405 88 HE2 TYR 10 HE2 TYR 10 5.879 8.396 -7.080 89 HH TYR 10 HH TYR 10 2.638 9.195 -8.301 90 H ASP 11 H ASP 11 9.145 5.781 -12.879 91 HA ASP 11 HA ASP 11 11.265 7.143 -14.112 92 HB2 ASP 11 HB2 ASP 11 10.543 4.239 -13.845 93 HB3 ASP 11 HB3 ASP 11 11.933 4.729 -14.810 94 H VAL 12 H VAL 12 8.548 5.342 -15.452 95 HA VAL 12 HA VAL 12 9.485 5.515 -18.160 96 HB VAL 12 HB VAL 12 6.700 4.879 -17.178 97 HG11 VAL 12 HG11 VAL 12 6.707 5.445 -19.514 98 HG12 VAL 12 HG12 VAL 12 8.084 4.383 -19.811 99 HG13 VAL 12 HG13 VAL 12 6.523 3.699 -19.356 100 HG21 VAL 12 HG21 VAL 12 7.543 2.486 -17.691 101 HG22 VAL 12 HG22 VAL 12 9.150 3.187 -17.498 102 HG23 VAL 12 HG23 VAL 12 7.997 3.243 -16.164 103 H MET 13 H MET 13 7.404 7.402 -16.079 104 HA MET 13 HA MET 13 6.696 9.155 -18.323 105 HB2 MET 13 HB2 MET 13 4.929 8.233 -16.731 106 HB3 MET 13 HB3 MET 13 5.607 9.308 -15.516 107 HG2 MET 13 HG2 MET 13 5.237 11.131 -17.347 108 HG3 MET 13 HG3 MET 13 4.088 9.961 -17.991 109 HE1 MET 13 HE1 MET 13 4.203 10.580 -13.688 110 HE2 MET 13 HE2 MET 13 5.452 11.154 -14.792 111 HE3 MET 13 HE3 MET 13 4.222 12.269 -14.194 112 H THR 14 H THR 14 9.359 9.133 -17.219 113 HA THR 14 HA THR 14 9.581 11.522 -15.592 114 HB THR 14 HB THR 14 11.089 9.481 -15.354 115 HG1 THR 14 HG1 THR 14 12.657 11.778 -15.791 116 HG21 THR 14 HG21 THR 14 12.731 10.683 -17.544 117 HG22 THR 14 HG22 THR 14 11.470 9.516 -17.942 118 HG23 THR 14 HG23 THR 14 12.788 9.058 -16.863 119 H VAL 15 H VAL 15 9.145 10.947 -18.812 120 HA VAL 15 HA VAL 15 10.883 13.092 -19.757 121 HB VAL 15 HB VAL 15 8.949 11.419 -21.363 122 HG11 VAL 15 HG11 VAL 15 9.436 13.212 -22.715 123 HG12 VAL 15 HG12 VAL 15 11.048 13.431 -22.029 124 HG13 VAL 15 HG13 VAL 15 10.737 12.104 -23.149 125 HG21 VAL 15 HG21 VAL 15 10.433 9.835 -20.514 126 HG22 VAL 15 HG22 VAL 15 11.141 10.268 -22.070 127 HG23 VAL 15 HG23 VAL 15 11.804 10.942 -20.581 128 H ILE 16 H ILE 16 8.049 13.037 -18.227 129 HA ILE 16 HA ILE 16 7.166 15.514 -19.502 130 HB ILE 16 HB ILE 16 5.143 13.407 -18.779 131 HG12 ILE 16 HG12 ILE 16 6.349 13.960 -21.500 132 HG13 ILE 16 HG13 ILE 16 6.562 12.491 -20.554 133 HG21 ILE 16 HG21 ILE 16 3.657 14.985 -19.252 134 HG22 ILE 16 HG22 ILE 16 4.982 16.131 -19.444 135 HG23 ILE 16 HG23 ILE 16 4.377 15.241 -20.841 136 HD11 ILE 16 HD11 ILE 16 4.955 12.071 -22.261 137 HD12 ILE 16 HD12 ILE 16 4.110 12.117 -20.714 138 HD13 ILE 16 HD13 ILE 16 4.023 13.497 -21.808 139 H SER 17 H SER 17 8.133 14.022 -16.808 140 HA SER 17 HA SER 17 6.260 15.375 -15.004 141 HB2 SER 17 HB2 SER 17 7.920 12.979 -14.829 142 HB3 SER 17 HB3 SER 17 8.085 14.022 -13.417 143 HG SER 17 HG SER 17 5.581 14.015 -13.736 144 HA PRO 18 HA PRO 18 10.438 17.119 -13.406 145 HB2 PRO 18 HB2 PRO 18 12.729 16.266 -14.585 146 HB3 PRO 18 HB3 PRO 18 11.986 15.432 -13.215 147 HG2 PRO 18 HG2 PRO 18 11.835 14.786 -16.134 148 HG3 PRO 18 HG3 PRO 18 12.060 13.693 -14.756 149 HD2 PRO 18 HD2 PRO 18 9.666 14.023 -15.978 150 HD3 PRO 18 HD3 PRO 18 9.813 13.673 -14.244 151 HA PRO 19 HA PRO 19 11.693 18.681 -17.867 152 HB2 PRO 19 HB2 PRO 19 9.917 17.971 -19.794 153 HB3 PRO 19 HB3 PRO 19 11.354 17.015 -19.413 154 HG2 PRO 19 HG2 PRO 19 8.520 16.604 -18.543 155 HG3 PRO 19 HG3 PRO 19 9.704 15.408 -19.102 156 HD2 PRO 19 HD2 PRO 19 9.143 15.788 -16.480 157 HD3 PRO 19 HD3 PRO 19 10.752 15.302 -17.052 158 H GLU 20 H GLU 20 8.564 18.458 -16.442 159 HA GLU 20 HA GLU 20 7.475 20.761 -17.799 160 HB2 GLU 20 HB2 GLU 20 6.475 18.659 -16.118 161 HB3 GLU 20 HB3 GLU 20 5.987 20.214 -15.458 162 HG2 GLU 20 HG2 GLU 20 5.587 20.215 -18.287 163 HG3 GLU 20 HG3 GLU 20 4.827 18.791 -17.580 164 H PHE 21 H PHE 21 9.422 20.168 -15.048 165 HA PHE 21 HA PHE 21 8.743 22.303 -13.382 166 HB2 PHE 21 HB2 PHE 21 10.718 20.316 -13.438 167 HB3 PHE 21 HB3 PHE 21 11.601 21.839 -13.406 168 HD1 PHE 21 HD1 PHE 21 8.631 20.304 -11.743 169 HD2 PHE 21 HD2 PHE 21 12.155 22.658 -11.343 170 HE1 PHE 21 HE1 PHE 21 8.238 20.474 -9.320 171 HE2 PHE 21 HE2 PHE 21 11.768 22.831 -8.920 172 HZ PHE 21 HZ PHE 21 9.809 21.738 -7.905 173 H GLY 22 H GLY 22 10.701 22.185 -16.287 174 HA2 GLY 22 HA2 GLY 22 11.725 23.832 -17.519 175 HA3 GLY 22 HA3 GLY 22 10.406 24.850 -16.959 Start of MODEL 24 1 H1 TRP 1 H TRP 1 -0.139 -5.710 -2.752 2 HA TRP 1 HA TRP 1 1.599 -5.619 -0.777 3 HB2 TRP 1 HB2 TRP 1 3.689 -6.636 -1.329 4 HB3 TRP 1 HB3 TRP 1 2.446 -7.863 -1.562 5 HD1 TRP 1 HD1 TRP 1 1.594 -6.581 -4.514 6 HE1 TRP 1 HE1 TRP 1 3.104 -7.182 -6.510 7 HE3 TRP 1 HE3 TRP 1 5.801 -7.969 -1.961 8 HZ2 TRP 1 HZ2 TRP 1 5.730 -8.122 -6.945 9 HZ3 TRP 1 HZ3 TRP 1 7.768 -8.707 -3.242 10 HH2 TRP 1 HH2 TRP 1 7.731 -8.782 -5.682 11 H ARG 2 H ARG 2 3.510 -4.175 -1.089 12 HA ARG 2 HA ARG 2 3.756 -2.795 -3.601 13 HB2 ARG 2 HB2 ARG 2 3.191 -0.553 -2.496 14 HB3 ARG 2 HB3 ARG 2 1.847 -1.589 -2.959 15 HG2 ARG 2 HG2 ARG 2 2.884 -1.877 -0.203 16 HG3 ARG 2 HG3 ARG 2 1.997 -0.401 -0.589 17 HD2 ARG 2 HD2 ARG 2 0.704 -2.799 -1.611 18 HD3 ARG 2 HD3 ARG 2 0.897 -2.822 0.141 19 HE ARG 2 HE ARG 2 -0.846 -1.126 -1.389 20 HH11 ARG 2 HH11 ARG 2 0.898 -1.484 1.602 21 HH12 ARG 2 HH12 ARG 2 -0.142 -0.418 2.487 22 HH21 ARG 2 HH21 ARG 2 -2.223 0.279 -0.235 23 HH22 ARG 2 HH22 ARG 2 -1.917 0.583 1.442 24 HA PRO 3 HA PRO 3 7.454 -2.828 -0.752 25 HB2 PRO 3 HB2 PRO 3 9.142 -3.975 -2.543 26 HB3 PRO 3 HB3 PRO 3 8.118 -4.914 -1.450 27 HG2 PRO 3 HG2 PRO 3 7.686 -4.231 -4.332 28 HG3 PRO 3 HG3 PRO 3 7.422 -5.772 -3.496 29 HD2 PRO 3 HD2 PRO 3 5.402 -4.065 -4.076 30 HD3 PRO 3 HD3 PRO 3 5.392 -5.102 -2.635 31 H TYR 4 H TYR 4 7.044 -1.992 -4.156 32 HA TYR 4 HA TYR 4 8.288 0.559 -3.759 33 HB2 TYR 4 HB2 TYR 4 9.987 0.127 -5.637 34 HB3 TYR 4 HB3 TYR 4 10.355 -0.526 -4.044 35 HD1 TYR 4 HD2 TYR 4 9.322 -1.360 -7.470 36 HD2 TYR 4 HD1 TYR 4 10.406 -2.903 -3.656 37 HE1 TYR 4 HE2 TYR 4 9.573 -3.600 -8.454 38 HE2 TYR 4 HE1 TYR 4 10.661 -5.147 -4.630 39 HH TYR 4 HH TYR 4 11.021 -6.208 -6.741 40 H LEU 5 H LEU 5 7.201 1.949 -4.974 41 HA LEU 5 HA LEU 5 6.481 1.341 -7.699 42 HB2 LEU 5 HB2 LEU 5 4.036 2.169 -6.950 43 HB3 LEU 5 HB3 LEU 5 4.492 0.476 -7.121 44 HG LEU 5 HG LEU 5 4.881 1.728 -4.459 45 HD11 LEU 5 HD11 LEU 5 2.178 0.667 -4.945 46 HD12 LEU 5 HD12 LEU 5 2.517 2.253 -5.638 47 HD13 LEU 5 HD13 LEU 5 2.714 1.988 -3.906 48 HD21 LEU 5 HD21 LEU 5 5.069 -0.810 -5.506 49 HD22 LEU 5 HD22 LEU 5 3.507 -0.828 -4.687 50 HD23 LEU 5 HD23 LEU 5 4.967 -0.400 -3.794 51 H GLN 6 H GLN 6 6.179 3.534 -4.944 52 HA GLN 6 HA GLN 6 5.390 5.854 -6.192 53 HB2 GLN 6 HB2 GLN 6 6.376 5.165 -3.682 54 HB3 GLN 6 HB3 GLN 6 7.510 6.373 -4.273 55 HG2 GLN 6 HG2 GLN 6 6.050 7.818 -3.388 56 HG3 GLN 6 HG3 GLN 6 5.170 7.559 -4.894 57 HE21 GLN 6 HE21 GLN 6 4.118 5.067 -4.489 58 HE22 GLN 6 HE22 GLN 6 2.985 5.118 -3.187 59 H THR 7 H THR 7 8.658 4.514 -5.954 60 HA THR 7 HA THR 7 9.727 6.681 -7.581 61 HB THR 7 HB THR 7 11.065 5.925 -5.676 62 HG1 THR 7 HG1 THR 7 11.954 6.460 -7.968 63 HG21 THR 7 HG21 THR 7 10.228 3.408 -6.308 64 HG22 THR 7 HG22 THR 7 11.573 3.776 -5.228 65 HG23 THR 7 HG23 THR 7 11.880 3.394 -6.922 66 H GLU 8 H GLU 8 8.869 3.306 -7.834 67 HA GLU 8 HA GLU 8 10.228 2.765 -10.264 68 HB2 GLU 8 HB2 GLU 8 8.381 1.390 -8.497 69 HB3 GLU 8 HB3 GLU 8 8.004 1.082 -10.187 70 HG2 GLU 8 HG2 GLU 8 10.629 0.594 -8.802 71 HG3 GLU 8 HG3 GLU 8 9.485 -0.619 -9.376 72 H TYR 9 H TYR 9 7.335 4.450 -9.512 73 HA TYR 9 HA TYR 9 6.159 4.154 -12.135 74 HB2 TYR 9 HB2 TYR 9 4.994 4.571 -9.801 75 HB3 TYR 9 HB3 TYR 9 5.274 6.261 -10.209 76 HD1 TYR 9 HD1 TYR 9 4.584 6.818 -12.765 77 HD2 TYR 9 HD2 TYR 9 2.938 3.711 -10.370 78 HE1 TYR 9 HE1 TYR 9 2.561 6.820 -14.164 79 HE2 TYR 9 HE2 TYR 9 0.910 3.704 -11.762 80 HH TYR 9 HH TYR 9 0.688 4.902 -14.693 81 H TYR 10 H TYR 10 7.961 6.594 -10.341 82 HA TYR 10 HA TYR 10 7.677 8.755 -12.066 83 HB2 TYR 10 HB2 TYR 10 10.020 7.955 -10.332 84 HB3 TYR 10 HB3 TYR 10 9.887 9.511 -11.143 85 HD1 TYR 10 HD2 TYR 10 6.948 9.996 -10.729 86 HD2 TYR 10 HD1 TYR 10 9.964 8.602 -8.071 87 HE1 TYR 10 HE2 TYR 10 5.670 10.882 -8.824 88 HE2 TYR 10 HE1 TYR 10 8.693 9.483 -6.158 89 HH TYR 10 HH TYR 10 6.311 11.683 -6.390 90 H ASP 11 H ASP 11 9.671 5.905 -12.327 91 HA ASP 11 HA ASP 11 11.444 6.825 -14.321 92 HB2 ASP 11 HB2 ASP 11 11.165 4.507 -12.849 93 HB3 ASP 11 HB3 ASP 11 10.779 3.980 -14.485 94 H VAL 12 H VAL 12 8.285 5.256 -14.474 95 HA VAL 12 HA VAL 12 8.311 5.141 -17.361 96 HB VAL 12 HB VAL 12 5.989 4.665 -15.489 97 HG11 VAL 12 HG11 VAL 12 5.012 4.859 -17.556 98 HG12 VAL 12 HG12 VAL 12 6.440 4.268 -18.408 99 HG13 VAL 12 HG13 VAL 12 5.400 3.139 -17.539 100 HG21 VAL 12 HG21 VAL 12 7.571 3.094 -14.805 101 HG22 VAL 12 HG22 VAL 12 6.603 2.217 -15.990 102 HG23 VAL 12 HG23 VAL 12 8.183 2.857 -16.442 103 H MET 13 H MET 13 7.137 7.276 -14.876 104 HA MET 13 HA MET 13 5.660 8.855 -16.860 105 HB2 MET 13 HB2 MET 13 4.607 8.164 -14.642 106 HB3 MET 13 HB3 MET 13 5.704 9.307 -13.880 107 HG2 MET 13 HG2 MET 13 4.697 10.977 -15.617 108 HG3 MET 13 HG3 MET 13 3.375 9.813 -15.662 109 HE1 MET 13 HE1 MET 13 4.958 12.436 -12.437 110 HE2 MET 13 HE2 MET 13 5.114 10.797 -11.805 111 HE3 MET 13 HE3 MET 13 5.859 11.224 -13.347 112 H THR 14 H THR 14 8.538 8.806 -16.842 113 HA THR 14 HA THR 14 9.382 11.316 -15.659 114 HB THR 14 HB THR 14 10.849 9.240 -15.789 115 HG1 THR 14 HG1 THR 14 12.157 11.403 -17.029 116 HG21 THR 14 HG21 THR 14 10.276 8.832 -18.226 117 HG22 THR 14 HG22 THR 14 11.986 8.731 -17.805 118 HG23 THR 14 HG23 THR 14 11.358 10.170 -18.608 119 H VAL 15 H VAL 15 7.761 10.480 -18.408 120 HA VAL 15 HA VAL 15 9.039 12.458 -20.135 121 HB VAL 15 HB VAL 15 6.651 10.718 -20.754 122 HG11 VAL 15 HG11 VAL 15 7.667 11.166 -23.125 123 HG12 VAL 15 HG12 VAL 15 6.619 12.363 -22.361 124 HG13 VAL 15 HG13 VAL 15 8.370 12.575 -22.332 125 HG21 VAL 15 HG21 VAL 15 9.585 10.223 -21.234 126 HG22 VAL 15 HG22 VAL 15 8.492 9.267 -20.232 127 HG23 VAL 15 HG23 VAL 15 8.284 9.298 -21.983 128 H ILE 16 H ILE 16 6.963 12.643 -17.678 129 HA ILE 16 HA ILE 16 5.662 15.015 -18.787 130 HB ILE 16 HB ILE 16 4.071 13.063 -17.140 131 HG12 ILE 16 HG12 ILE 16 2.963 12.749 -19.548 132 HG13 ILE 16 HG13 ILE 16 4.608 13.096 -20.070 133 HG21 ILE 16 HG21 ILE 16 2.459 14.599 -18.845 134 HG22 ILE 16 HG22 ILE 16 2.628 14.749 -17.096 135 HG23 ILE 16 HG23 ILE 16 3.651 15.708 -18.166 136 HD11 ILE 16 HD11 ILE 16 5.091 11.248 -18.179 137 HD12 ILE 16 HD12 ILE 16 3.504 10.723 -18.741 138 HD13 ILE 16 HD13 ILE 16 4.838 10.874 -19.883 139 H SER 17 H SER 17 7.579 13.773 -16.507 140 HA SER 17 HA SER 17 6.514 15.372 -14.292 141 HB2 SER 17 HB2 SER 17 8.109 12.937 -14.487 142 HB3 SER 17 HB3 SER 17 8.811 14.111 -13.373 143 HG SER 17 HG SER 17 7.291 12.728 -12.349 144 HA PRO 18 HA PRO 18 10.985 17.101 -14.572 145 HB2 PRO 18 HB2 PRO 18 12.660 16.050 -16.432 146 HB3 PRO 18 HB3 PRO 18 12.493 15.382 -14.804 147 HG2 PRO 18 HG2 PRO 18 11.248 14.461 -17.366 148 HG3 PRO 18 HG3 PRO 18 11.980 13.499 -16.069 149 HD2 PRO 18 HD2 PRO 18 9.301 13.801 -16.325 150 HD3 PRO 18 HD3 PRO 18 10.095 13.615 -14.748 151 HA PRO 19 HA PRO 19 10.455 18.172 -19.314 152 HB2 PRO 19 HB2 PRO 19 8.083 17.347 -20.345 153 HB3 PRO 19 HB3 PRO 19 9.558 16.379 -20.435 154 HG2 PRO 19 HG2 PRO 19 7.265 16.162 -18.524 155 HG3 PRO 19 HG3 PRO 19 8.151 14.873 -19.359 156 HD2 PRO 19 HD2 PRO 19 8.624 15.527 -16.775 157 HD3 PRO 19 HD3 PRO 19 9.898 14.926 -17.856 158 H GLU 20 H GLU 20 8.100 18.209 -16.800 159 HA GLU 20 HA GLU 20 6.574 20.408 -17.879 160 HB2 GLU 20 HB2 GLU 20 6.288 18.520 -15.736 161 HB3 GLU 20 HB3 GLU 20 6.085 20.148 -15.106 162 HG2 GLU 20 HG2 GLU 20 4.640 19.336 -17.584 163 HG3 GLU 20 HG3 GLU 20 4.040 18.821 -16.009 164 H PHE 21 H PHE 21 9.418 20.012 -16.018 165 HA PHE 21 HA PHE 21 9.418 22.324 -14.453 166 HB2 PHE 21 HB2 PHE 21 11.226 20.265 -15.036 167 HB3 PHE 21 HB3 PHE 21 12.054 21.747 -15.502 168 HD1 PHE 21 HD1 PHE 21 11.111 23.670 -13.539 169 HD2 PHE 21 HD2 PHE 21 12.173 19.577 -13.050 170 HE1 PHE 21 HE1 PHE 21 11.669 24.100 -11.181 171 HE2 PHE 21 HE2 PHE 21 12.732 20.000 -10.691 172 HZ PHE 21 HZ PHE 21 12.479 22.264 -9.753 173 H GLY 22 H GLY 22 10.182 21.840 -17.846 174 HA2 GLY 22 HA2 GLY 22 10.665 23.319 -19.536 175 HA3 GLY 22 HA3 GLY 22 9.629 24.428 -18.650 Start of MODEL 25 1 H1 TRP 1 H TRP 1 1.208 -2.869 -2.438 2 HA TRP 1 HA TRP 1 1.569 -0.890 -3.737 3 HB2 TRP 1 HB2 TRP 1 1.241 1.334 -2.537 4 HB3 TRP 1 HB3 TRP 1 -0.222 0.434 -2.929 5 HD1 TRP 1 HD1 TRP 1 1.844 -0.593 0.108 6 HE1 TRP 1 HE1 TRP 1 0.497 -0.079 2.240 7 HE3 TRP 1 HE3 TRP 1 -2.027 2.008 -1.986 8 HZ2 TRP 1 HZ2 TRP 1 -1.891 1.252 2.941 9 HZ3 TRP 1 HZ3 TRP 1 -3.803 2.867 -0.515 10 HH2 TRP 1 HH2 TRP 1 -3.735 2.495 1.897 11 H ARG 2 H ARG 2 3.119 -2.591 -1.890 12 HA ARG 2 HA ARG 2 4.895 -1.200 -0.287 13 HB2 ARG 2 HB2 ARG 2 4.914 -3.786 -1.708 14 HB3 ARG 2 HB3 ARG 2 6.499 -3.145 -1.300 15 HG2 ARG 2 HG2 ARG 2 6.077 -4.351 0.579 16 HG3 ARG 2 HG3 ARG 2 5.371 -2.807 1.060 17 HD2 ARG 2 HD2 ARG 2 3.395 -4.273 -0.352 18 HD3 ARG 2 HD3 ARG 2 4.117 -5.350 0.843 19 HE ARG 2 HE ARG 2 3.489 -2.827 1.984 20 HH11 ARG 2 HH11 ARG 2 2.061 -5.822 0.929 21 HH12 ARG 2 HH12 ARG 2 0.718 -5.717 2.019 22 HH21 ARG 2 HH21 ARG 2 1.726 -2.677 3.423 23 HH22 ARG 2 HH22 ARG 2 0.528 -3.927 3.436 24 HA PRO 3 HA PRO 3 7.561 1.133 -2.872 25 HB2 PRO 3 HB2 PRO 3 9.987 0.751 -1.714 26 HB3 PRO 3 HB3 PRO 3 8.716 1.736 -0.980 27 HG2 PRO 3 HG2 PRO 3 9.495 -1.095 -0.395 28 HG3 PRO 3 HG3 PRO 3 9.089 0.210 0.735 29 HD2 PRO 3 HD2 PRO 3 7.325 -1.728 0.053 30 HD3 PRO 3 HD3 PRO 3 6.820 -0.071 0.440 31 H TYR 4 H TYR 4 7.709 0.308 -4.901 32 HA TYR 4 HA TYR 4 10.054 -0.947 -5.754 33 HB2 TYR 4 HB2 TYR 4 8.322 -2.793 -4.605 34 HB3 TYR 4 HB3 TYR 4 8.040 -2.968 -6.334 35 HD1 TYR 4 HD1 TYR 4 10.565 -2.664 -7.596 36 HD2 TYR 4 HD2 TYR 4 9.704 -4.470 -3.841 37 HE1 TYR 4 HE1 TYR 4 12.600 -4.031 -7.794 38 HE2 TYR 4 HE2 TYR 4 11.737 -5.842 -4.028 39 HH TYR 4 HH TYR 4 13.400 -6.287 -6.849 40 H LEU 5 H LEU 5 6.643 -0.352 -6.321 41 HA LEU 5 HA LEU 5 7.146 -0.153 -9.207 42 HB2 LEU 5 HB2 LEU 5 4.539 0.102 -9.151 43 HB3 LEU 5 HB3 LEU 5 5.301 -1.482 -9.031 44 HG LEU 5 HG LEU 5 4.616 -0.028 -6.520 45 HD11 LEU 5 HD11 LEU 5 2.375 -0.462 -6.589 46 HD12 LEU 5 HD12 LEU 5 2.549 -1.766 -7.764 47 HD13 LEU 5 HD13 LEU 5 2.666 -0.087 -8.288 48 HD21 LEU 5 HD21 LEU 5 4.768 -2.076 -5.559 49 HD22 LEU 5 HD22 LEU 5 5.809 -2.375 -6.950 50 HD23 LEU 5 HD23 LEU 5 4.129 -2.913 -6.974 51 H GLN 6 H GLN 6 6.090 1.660 -6.401 52 HA GLN 6 HA GLN 6 5.047 3.935 -7.560 53 HB2 GLN 6 HB2 GLN 6 5.841 3.159 -4.998 54 HB3 GLN 6 HB3 GLN 6 6.775 4.611 -5.332 55 HG2 GLN 6 HG2 GLN 6 5.004 5.929 -5.092 56 HG3 GLN 6 HG3 GLN 6 3.995 4.894 -6.102 57 HE21 GLN 6 HE21 GLN 6 2.200 4.977 -4.822 58 HE22 GLN 6 HE22 GLN 6 2.119 4.269 -3.248 59 H THR 7 H THR 7 8.444 3.135 -6.961 60 HA THR 7 HA THR 7 9.357 5.616 -8.140 61 HB THR 7 HB THR 7 10.581 4.590 -6.246 62 HG1 THR 7 HG1 THR 7 12.534 5.149 -7.078 63 HG21 THR 7 HG21 THR 7 11.597 2.527 -8.182 64 HG22 THR 7 HG22 THR 7 10.204 2.217 -7.145 65 HG23 THR 7 HG23 THR 7 11.775 2.577 -6.429 66 H GLU 8 H GLU 8 8.852 2.316 -9.106 67 HA GLU 8 HA GLU 8 10.514 2.338 -11.409 68 HB2 GLU 8 HB2 GLU 8 8.813 0.485 -10.087 69 HB3 GLU 8 HB3 GLU 8 8.300 0.565 -11.766 70 HG2 GLU 8 HG2 GLU 8 10.127 -0.486 -12.506 71 HG3 GLU 8 HG3 GLU 8 11.196 0.388 -11.411 72 H TYR 9 H TYR 9 7.195 3.275 -10.788 73 HA TYR 9 HA TYR 9 6.401 3.509 -13.505 74 HB2 TYR 9 HB2 TYR 9 4.966 3.410 -11.317 75 HB3 TYR 9 HB3 TYR 9 5.172 5.158 -11.323 76 HD1 TYR 9 HD2 TYR 9 4.655 6.283 -13.689 77 HD2 TYR 9 HD1 TYR 9 3.104 2.548 -12.367 78 HE1 TYR 9 HE2 TYR 9 2.791 6.501 -15.279 79 HE2 TYR 9 HE1 TYR 9 1.236 2.755 -13.955 80 HH TYR 9 HH TYR 9 1.035 5.483 -16.208 81 H TYR 10 H TYR 10 7.875 5.703 -11.190 82 HA TYR 10 HA TYR 10 7.544 8.090 -12.646 83 HB2 TYR 10 HB2 TYR 10 9.695 7.317 -10.664 84 HB3 TYR 10 HB3 TYR 10 9.400 8.953 -11.242 85 HD1 TYR 10 HD2 TYR 10 6.374 8.855 -11.231 86 HD2 TYR 10 HD1 TYR 10 9.253 7.598 -8.361 87 HE1 TYR 10 HE2 TYR 10 4.725 9.192 -9.438 88 HE2 TYR 10 HE1 TYR 10 7.612 7.931 -6.560 89 HH TYR 10 HH TYR 10 4.489 9.405 -7.170 90 H ASP 11 H ASP 11 9.863 5.493 -12.872 91 HA ASP 11 HA ASP 11 11.812 6.849 -14.414 92 HB2 ASP 11 HB2 ASP 11 11.694 4.413 -13.201 93 HB3 ASP 11 HB3 ASP 11 11.503 3.955 -14.891 94 H VAL 12 H VAL 12 8.880 5.099 -15.227 95 HA VAL 12 HA VAL 12 9.406 5.238 -18.075 96 HB VAL 12 HB VAL 12 6.871 4.374 -16.678 97 HG11 VAL 12 HG11 VAL 12 7.231 3.018 -19.102 98 HG12 VAL 12 HG12 VAL 12 6.042 4.271 -18.738 99 HG13 VAL 12 HG13 VAL 12 7.600 4.709 -19.438 100 HG21 VAL 12 HG21 VAL 12 7.698 2.077 -17.003 101 HG22 VAL 12 HG22 VAL 12 9.233 2.725 -17.582 102 HG23 VAL 12 HG23 VAL 12 8.727 3.009 -15.916 103 H MET 13 H MET 13 7.589 6.973 -15.657 104 HA MET 13 HA MET 13 6.338 8.631 -17.730 105 HB2 MET 13 HB2 MET 13 4.970 7.589 -15.846 106 HB3 MET 13 HB3 MET 13 5.769 8.728 -14.771 107 HG2 MET 13 HG2 MET 13 4.926 10.494 -16.502 108 HG3 MET 13 HG3 MET 13 3.774 9.229 -16.921 109 HE1 MET 13 HE1 MET 13 4.634 9.923 -12.713 110 HE2 MET 13 HE2 MET 13 5.609 10.571 -14.033 111 HE3 MET 13 HE3 MET 13 4.427 11.600 -13.221 112 H THR 14 H THR 14 9.146 8.844 -17.146 113 HA THR 14 HA THR 14 9.466 11.262 -15.575 114 HB THR 14 HB THR 14 11.154 9.355 -15.618 115 HG1 THR 14 HG1 THR 14 11.552 11.596 -14.904 116 HG21 THR 14 HG21 THR 14 11.080 9.271 -18.184 117 HG22 THR 14 HG22 THR 14 12.657 9.138 -17.406 118 HG23 THR 14 HG23 THR 14 12.155 10.667 -18.129 119 H VAL 15 H VAL 15 8.497 10.613 -18.662 120 HA VAL 15 HA VAL 15 9.853 12.879 -19.903 121 HB VAL 15 HB VAL 15 7.805 11.034 -21.135 122 HG11 VAL 15 HG11 VAL 15 7.893 12.849 -22.544 123 HG12 VAL 15 HG12 VAL 15 9.582 13.195 -22.169 124 HG13 VAL 15 HG13 VAL 15 9.170 11.837 -23.216 125 HG21 VAL 15 HG21 VAL 15 10.562 10.559 -20.430 126 HG22 VAL 15 HG22 VAL 15 9.361 9.443 -21.080 127 HG23 VAL 15 HG23 VAL 15 10.323 10.439 -22.173 128 H ILE 16 H ILE 16 7.343 12.597 -17.892 129 HA ILE 16 HA ILE 16 6.042 14.979 -18.981 130 HB ILE 16 HB ILE 16 4.375 12.722 -17.894 131 HG12 ILE 16 HG12 ILE 16 3.777 12.617 -20.493 132 HG13 ILE 16 HG13 ILE 16 5.448 13.151 -20.640 133 HG21 ILE 16 HG21 ILE 16 3.893 15.407 -19.000 134 HG22 ILE 16 HG22 ILE 16 2.794 14.145 -19.554 135 HG23 ILE 16 HG23 ILE 16 2.960 14.475 -17.829 136 HD11 ILE 16 HD11 ILE 16 4.741 10.793 -18.946 137 HD12 ILE 16 HD12 ILE 16 4.937 10.637 -20.693 138 HD13 ILE 16 HD13 ILE 16 6.281 11.205 -19.702 139 H SER 17 H SER 17 7.617 13.628 -16.512 140 HA SER 17 HA SER 17 5.998 14.845 -14.393 141 HB2 SER 17 HB2 SER 17 7.870 12.607 -14.526 142 HB3 SER 17 HB3 SER 17 8.200 13.687 -13.171 143 HG SER 17 HG SER 17 5.692 13.455 -13.014 144 HA PRO 18 HA PRO 18 10.226 16.979 -13.605 145 HB2 PRO 18 HB2 PRO 18 12.326 16.307 -15.189 146 HB3 PRO 18 HB3 PRO 18 11.927 15.438 -13.703 147 HG2 PRO 18 HG2 PRO 18 11.296 14.726 -16.541 148 HG3 PRO 18 HG3 PRO 18 11.870 13.683 -15.227 149 HD2 PRO 18 HD2 PRO 18 9.272 13.779 -15.982 150 HD3 PRO 18 HD3 PRO 18 9.768 13.475 -14.304 151 HA PRO 19 HA PRO 19 10.488 18.561 -18.225 152 HB2 PRO 19 HB2 PRO 19 8.459 17.661 -19.787 153 HB3 PRO 19 HB3 PRO 19 10.022 16.843 -19.678 154 HG2 PRO 19 HG2 PRO 19 7.445 16.199 -18.296 155 HG3 PRO 19 HG3 PRO 19 8.609 15.102 -19.062 156 HD2 PRO 19 HD2 PRO 19 8.510 15.480 -16.383 157 HD3 PRO 19 HD3 PRO 19 10.023 15.127 -17.242 158 H GLU 20 H GLU 20 7.710 18.090 -16.243 159 HA GLU 20 HA GLU 20 6.185 20.261 -17.379 160 HB2 GLU 20 HB2 GLU 20 5.707 18.111 -15.539 161 HB3 GLU 20 HB3 GLU 20 5.210 19.628 -14.802 162 HG2 GLU 20 HG2 GLU 20 3.320 18.743 -15.904 163 HG3 GLU 20 HG3 GLU 20 3.890 20.099 -16.875 164 H PHE 21 H PHE 21 8.651 19.893 -15.035 165 HA PHE 21 HA PHE 21 8.102 21.991 -13.277 166 HB2 PHE 21 HB2 PHE 21 10.201 20.184 -13.690 167 HB3 PHE 21 HB3 PHE 21 10.936 21.777 -13.828 168 HD1 PHE 21 HD1 PHE 21 8.435 20.071 -11.640 169 HD2 PHE 21 HD2 PHE 21 11.823 22.635 -11.903 170 HE1 PHE 21 HE1 PHE 21 8.482 20.255 -9.187 171 HE2 PHE 21 HE2 PHE 21 11.876 22.822 -9.451 172 HZ PHE 21 HZ PHE 21 10.205 21.631 -8.089 173 H GLY 22 H GLY 22 9.490 21.991 -16.494 174 HA2 GLY 22 HA2 GLY 22 10.118 23.698 -17.898 175 HA3 GLY 22 HA3 GLY 22 8.841 24.608 -17.103 Start of MODEL 26 1 H1 TRP 1 H TRP 1 2.432 -5.943 0.101 2 HA TRP 1 HA TRP 1 4.328 -7.539 -0.126 3 HB2 TRP 1 HB2 TRP 1 2.720 -8.189 -2.590 4 HB3 TRP 1 HB3 TRP 1 4.432 -8.585 -2.468 5 HD1 TRP 1 HD1 TRP 1 3.695 -9.211 0.865 6 HE1 TRP 1 HE1 TRP 1 2.892 -11.611 1.331 7 HE3 TRP 1 HE3 TRP 1 2.402 -10.571 -3.890 8 HZ2 TRP 1 HZ2 TRP 1 1.848 -13.793 -0.125 9 HZ3 TRP 1 HZ3 TRP 1 1.509 -12.832 -4.268 10 HH2 TRP 1 HH2 TRP 1 1.239 -14.409 -2.424 11 H ARG 2 H ARG 2 5.660 -5.811 -0.117 12 HA ARG 2 HA ARG 2 6.875 -4.026 -0.843 13 HB2 ARG 2 HB2 ARG 2 6.647 -5.833 -3.190 14 HB3 ARG 2 HB3 ARG 2 7.258 -4.211 -3.488 15 HG2 ARG 2 HG2 ARG 2 8.420 -5.905 -1.314 16 HG3 ARG 2 HG3 ARG 2 8.929 -6.103 -2.992 17 HD2 ARG 2 HD2 ARG 2 9.058 -3.401 -2.699 18 HD3 ARG 2 HD3 ARG 2 9.498 -3.949 -1.082 19 HE ARG 2 HE ARG 2 11.093 -4.116 -3.433 20 HH11 ARG 2 HH11 ARG 2 10.357 -5.744 -0.445 21 HH12 ARG 2 HH12 ARG 2 11.902 -6.520 -0.336 22 HH21 ARG 2 HH21 ARG 2 13.131 -5.132 -3.301 23 HH22 ARG 2 HH22 ARG 2 13.479 -6.171 -1.960 24 HA PRO 3 HA PRO 3 3.030 -1.831 -2.300 25 HB2 PRO 3 HB2 PRO 3 2.961 -0.066 -0.238 26 HB3 PRO 3 HB3 PRO 3 2.199 -1.660 -0.165 27 HG2 PRO 3 HG2 PRO 3 4.838 -0.770 0.933 28 HG3 PRO 3 HG3 PRO 3 3.603 -1.796 1.684 29 HD2 PRO 3 HD2 PRO 3 5.832 -2.809 0.528 30 HD3 PRO 3 HD3 PRO 3 4.281 -3.673 0.531 31 H TYR 4 H TYR 4 4.371 -1.065 -4.028 32 HA TYR 4 HA TYR 4 5.200 1.688 -3.646 33 HB2 TYR 4 HB2 TYR 4 7.131 -0.372 -4.732 34 HB3 TYR 4 HB3 TYR 4 7.416 1.362 -4.637 35 HD1 TYR 4 HD1 TYR 4 7.561 2.444 -2.364 36 HD2 TYR 4 HD2 TYR 4 7.560 -1.778 -2.887 37 HE1 TYR 4 HE1 TYR 4 8.499 2.171 -0.106 38 HE2 TYR 4 HE2 TYR 4 8.496 -2.064 -0.630 39 HH TYR 4 HH TYR 4 8.742 0.571 1.605 40 H LEU 5 H LEU 5 4.318 2.793 -5.250 41 HA LEU 5 HA LEU 5 4.470 1.812 -7.976 42 HB2 LEU 5 HB2 LEU 5 1.898 2.590 -8.042 43 HB3 LEU 5 HB3 LEU 5 2.417 0.918 -7.840 44 HG LEU 5 HG LEU 5 2.042 2.520 -5.374 45 HD11 LEU 5 HD11 LEU 5 -0.416 1.288 -6.428 46 HD12 LEU 5 HD12 LEU 5 0.087 2.790 -7.203 47 HD13 LEU 5 HD13 LEU 5 -0.196 2.747 -5.462 48 HD21 LEU 5 HD21 LEU 5 1.785 0.496 -4.407 49 HD22 LEU 5 HD22 LEU 5 2.632 -0.058 -5.851 50 HD23 LEU 5 HD23 LEU 5 0.873 -0.161 -5.766 51 H GLN 6 H GLN 6 3.371 4.331 -5.754 52 HA GLN 6 HA GLN 6 2.909 6.415 -7.482 53 HB2 GLN 6 HB2 GLN 6 2.649 6.409 -4.967 54 HB3 GLN 6 HB3 GLN 6 4.377 6.718 -4.863 55 HG2 GLN 6 HG2 GLN 6 3.339 8.808 -4.643 56 HG3 GLN 6 HG3 GLN 6 3.970 8.759 -6.289 57 HE21 GLN 6 HE21 GLN 6 2.598 8.934 -7.973 58 HE22 GLN 6 HE22 GLN 6 0.889 9.136 -7.820 59 H THR 7 H THR 7 6.023 5.331 -6.185 60 HA THR 7 HA THR 7 7.443 7.312 -7.778 61 HB THR 7 HB THR 7 8.244 6.909 -5.507 62 HG1 THR 7 HG1 THR 7 9.917 7.496 -6.778 63 HG21 THR 7 HG21 THR 7 8.593 4.879 -4.610 64 HG22 THR 7 HG22 THR 7 9.408 4.280 -6.055 65 HG23 THR 7 HG23 THR 7 7.647 4.275 -5.969 66 H GLU 8 H GLU 8 6.768 3.883 -7.748 67 HA GLU 8 HA GLU 8 8.737 3.106 -9.633 68 HB2 GLU 8 HB2 GLU 8 6.507 1.873 -8.239 69 HB3 GLU 8 HB3 GLU 8 6.618 1.316 -9.903 70 HG2 GLU 8 HG2 GLU 8 7.849 -0.080 -8.255 71 HG3 GLU 8 HG3 GLU 8 8.837 0.533 -9.579 72 H TYR 9 H TYR 9 5.747 4.743 -9.926 73 HA TYR 9 HA TYR 9 5.324 4.018 -12.698 74 HB2 TYR 9 HB2 TYR 9 3.553 4.651 -10.841 75 HB3 TYR 9 HB3 TYR 9 3.885 6.289 -11.392 76 HD1 TYR 9 HD1 TYR 9 3.903 6.474 -14.091 77 HD2 TYR 9 HD2 TYR 9 1.759 3.589 -11.814 78 HE1 TYR 9 HE1 TYR 9 2.341 6.165 -15.965 79 HE2 TYR 9 HE2 TYR 9 0.191 3.271 -13.682 80 HH TYR 9 HH TYR 9 -0.256 3.756 -15.814 81 H TYR 10 H TYR 10 6.502 6.772 -10.844 82 HA TYR 10 HA TYR 10 6.640 8.676 -12.867 83 HB2 TYR 10 HB2 TYR 10 8.441 8.261 -10.475 84 HB3 TYR 10 HB3 TYR 10 8.479 9.693 -11.498 85 HD1 TYR 10 HD1 TYR 10 5.524 10.014 -11.952 86 HD2 TYR 10 HD2 TYR 10 7.746 9.178 -8.422 87 HE1 TYR 10 HE1 TYR 10 3.742 11.032 -10.597 88 HE2 TYR 10 HE2 TYR 10 5.971 10.193 -7.056 89 HH TYR 10 HH TYR 10 4.141 11.880 -7.376 90 H ASP 11 H ASP 11 8.724 5.964 -12.162 91 HA ASP 11 HA ASP 11 10.998 6.672 -13.602 92 HB2 ASP 11 HB2 ASP 11 9.797 4.169 -12.622 93 HB3 ASP 11 HB3 ASP 11 10.862 3.974 -14.011 94 H VAL 12 H VAL 12 7.898 5.487 -14.694 95 HA VAL 12 HA VAL 12 8.854 5.135 -17.423 96 HB VAL 12 HB VAL 12 6.066 4.800 -16.307 97 HG11 VAL 12 HG11 VAL 12 6.003 5.241 -18.675 98 HG12 VAL 12 HG12 VAL 12 7.259 4.037 -18.970 99 HG13 VAL 12 HG13 VAL 12 5.668 3.533 -18.396 100 HG21 VAL 12 HG21 VAL 12 7.155 2.330 -17.074 101 HG22 VAL 12 HG22 VAL 12 8.401 3.140 -16.123 102 HG23 VAL 12 HG23 VAL 12 6.795 2.888 -15.440 103 H MET 13 H MET 13 7.068 7.412 -15.489 104 HA MET 13 HA MET 13 6.380 8.974 -17.876 105 HB2 MET 13 HB2 MET 13 4.643 8.410 -16.095 106 HB3 MET 13 HB3 MET 13 5.496 9.537 -15.049 107 HG2 MET 13 HG2 MET 13 5.179 11.180 -17.053 108 HG3 MET 13 HG3 MET 13 3.886 10.068 -17.496 109 HE1 MET 13 HE1 MET 13 5.562 11.457 -14.532 110 HE2 MET 13 HE2 MET 13 4.484 12.747 -14.000 111 HE3 MET 13 HE3 MET 13 4.339 11.133 -13.304 112 H THR 14 H THR 14 9.096 8.804 -16.922 113 HA THR 14 HA THR 14 9.646 11.321 -15.592 114 HB THR 14 HB THR 14 10.969 9.177 -15.206 115 HG1 THR 14 HG1 THR 14 12.729 11.226 -15.983 116 HG21 THR 14 HG21 THR 14 11.184 8.798 -17.742 117 HG22 THR 14 HG22 THR 14 12.603 8.496 -16.739 118 HG23 THR 14 HG23 THR 14 12.482 9.989 -17.670 119 H VAL 15 H VAL 15 8.949 10.449 -18.698 120 HA VAL 15 HA VAL 15 10.815 12.294 -19.973 121 HB VAL 15 HB VAL 15 8.634 10.659 -21.272 122 HG11 VAL 15 HG11 VAL 15 9.197 12.238 -22.843 123 HG12 VAL 15 HG12 VAL 15 10.862 12.368 -22.275 124 HG13 VAL 15 HG13 VAL 15 10.359 10.966 -23.218 125 HG21 VAL 15 HG21 VAL 15 10.079 9.093 -20.237 126 HG22 VAL 15 HG22 VAL 15 10.556 9.160 -21.934 127 HG23 VAL 15 HG23 VAL 15 11.517 9.996 -20.714 128 H ILE 16 H ILE 16 8.093 12.689 -18.296 129 HA ILE 16 HA ILE 16 7.363 15.088 -19.795 130 HB ILE 16 HB ILE 16 5.205 13.284 -18.727 131 HG12 ILE 16 HG12 ILE 16 6.276 13.416 -21.554 132 HG13 ILE 16 HG13 ILE 16 6.413 12.044 -20.460 133 HG21 ILE 16 HG21 ILE 16 4.511 14.972 -20.949 134 HG22 ILE 16 HG22 ILE 16 3.827 14.919 -19.325 135 HG23 ILE 16 HG23 ILE 16 5.240 15.922 -19.654 136 HD11 ILE 16 HD11 ILE 16 3.732 12.433 -20.484 137 HD12 ILE 16 HD12 ILE 16 4.173 12.913 -22.124 138 HD13 ILE 16 HD13 ILE 16 4.598 11.308 -21.530 139 H SER 17 H SER 17 8.361 13.808 -17.005 140 HA SER 17 HA SER 17 6.744 15.529 -15.268 141 HB2 SER 17 HB2 SER 17 8.183 13.012 -14.911 142 HB3 SER 17 HB3 SER 17 8.535 14.181 -13.638 143 HG SER 17 HG SER 17 6.025 14.388 -13.818 144 HA PRO 18 HA PRO 18 11.161 17.011 -14.110 145 HB2 PRO 18 HB2 PRO 18 13.281 15.811 -15.309 146 HB3 PRO 18 HB3 PRO 18 12.555 15.209 -13.814 147 HG2 PRO 18 HG2 PRO 18 12.153 14.269 -16.627 148 HG3 PRO 18 HG3 PRO 18 12.366 13.314 -15.148 149 HD2 PRO 18 HD2 PRO 18 9.938 13.747 -16.266 150 HD3 PRO 18 HD3 PRO 18 10.166 13.573 -14.514 151 HA PRO 19 HA PRO 19 12.261 17.948 -18.782 152 HB2 PRO 19 HB2 PRO 19 10.307 17.213 -20.517 153 HB3 PRO 19 HB3 PRO 19 11.672 16.167 -20.107 154 HG2 PRO 19 HG2 PRO 19 8.874 16.133 -19.044 155 HG3 PRO 19 HG3 PRO 19 9.904 14.773 -19.526 156 HD2 PRO 19 HD2 PRO 19 9.551 15.488 -16.938 157 HD3 PRO 19 HD3 PRO 19 11.068 14.787 -17.537 158 H GLU 20 H GLU 20 9.218 18.186 -17.181 159 HA GLU 20 HA GLU 20 8.275 20.436 -18.727 160 HB2 GLU 20 HB2 GLU 20 6.556 19.064 -17.869 161 HB3 GLU 20 HB3 GLU 20 7.276 19.023 -16.266 162 HG2 GLU 20 HG2 GLU 20 6.669 21.298 -15.861 163 HG3 GLU 20 HG3 GLU 20 6.132 21.502 -17.527 164 H PHE 21 H PHE 21 10.263 19.919 -15.978 165 HA PHE 21 HA PHE 21 9.882 22.279 -14.540 166 HB2 PHE 21 HB2 PHE 21 11.656 20.097 -14.459 167 HB3 PHE 21 HB3 PHE 21 12.668 21.533 -14.565 168 HD1 PHE 21 HD1 PHE 21 11.208 23.512 -13.045 169 HD2 PHE 21 HD2 PHE 21 11.737 19.359 -12.279 170 HE1 PHE 21 HE1 PHE 21 10.886 23.918 -10.640 171 HE2 PHE 21 HE2 PHE 21 11.415 19.758 -9.873 172 HZ PHE 21 HZ PHE 21 10.987 22.040 -9.051 173 H GLY 22 H GLY 22 11.703 21.643 -17.466 174 HA2 GLY 22 HA2 GLY 22 12.847 23.030 -18.897 175 HA3 GLY 22 HA3 GLY 22 11.666 24.239 -18.415 Start of MODEL 27 1 H1 TRP 1 H TRP 1 2.485 1.746 3.940 2 HA TRP 1 HA TRP 1 2.428 1.362 1.332 3 HB2 TRP 1 HB2 TRP 1 4.237 3.287 2.790 4 HB3 TRP 1 HB3 TRP 1 4.022 3.327 1.043 5 HD1 TRP 1 HD1 TRP 1 0.734 2.489 1.778 6 HE1 TRP 1 HE1 TRP 1 -0.792 4.513 2.222 7 HE3 TRP 1 HE3 TRP 1 4.316 6.018 2.701 8 HZ2 TRP 1 HZ2 TRP 1 -0.514 7.245 2.876 9 HZ3 TRP 1 HZ3 TRP 1 3.603 8.313 3.228 10 HH2 TRP 1 HH2 TRP 1 1.237 8.912 3.312 11 H ARG 2 H ARG 2 3.357 -0.103 0.069 12 HA ARG 2 HA ARG 2 6.246 -0.596 0.389 13 HB2 ARG 2 HB2 ARG 2 4.161 -2.543 -0.614 14 HB3 ARG 2 HB3 ARG 2 5.875 -2.872 -0.395 15 HG2 ARG 2 HG2 ARG 2 3.890 -2.239 1.779 16 HG3 ARG 2 HG3 ARG 2 4.587 -3.820 1.418 17 HD2 ARG 2 HD2 ARG 2 6.822 -2.301 1.713 18 HD3 ARG 2 HD3 ARG 2 5.728 -1.530 2.860 19 HE ARG 2 HE ARG 2 6.008 -3.330 4.224 20 HH11 ARG 2 HH11 ARG 2 6.757 -4.295 0.964 21 HH12 ARG 2 HH12 ARG 2 7.255 -5.892 1.412 22 HH21 ARG 2 HH21 ARG 2 6.662 -5.431 4.827 23 HH22 ARG 2 HH22 ARG 2 7.200 -6.538 3.610 24 HA PRO 3 HA PRO 3 5.486 1.206 -3.825 25 HB2 PRO 3 HB2 PRO 3 7.587 2.922 -3.726 26 HB3 PRO 3 HB3 PRO 3 5.988 3.325 -3.091 27 HG2 PRO 3 HG2 PRO 3 8.424 2.383 -1.629 28 HG3 PRO 3 HG3 PRO 3 7.277 3.661 -1.185 29 HD2 PRO 3 HD2 PRO 3 7.190 1.182 -0.097 30 HD3 PRO 3 HD3 PRO 3 5.733 2.161 -0.361 31 H TYR 4 H TYR 4 6.156 -0.271 -5.259 32 HA TYR 4 HA TYR 4 9.041 -0.765 -5.486 33 HB2 TYR 4 HB2 TYR 4 6.854 -2.816 -5.289 34 HB3 TYR 4 HB3 TYR 4 8.346 -3.177 -6.149 35 HD1 TYR 4 HD2 TYR 4 10.547 -2.564 -4.766 36 HD2 TYR 4 HD1 TYR 4 6.739 -3.391 -3.059 37 HE1 TYR 4 HE2 TYR 4 11.635 -3.155 -2.640 38 HE2 TYR 4 HE1 TYR 4 7.815 -3.983 -0.928 39 HH TYR 4 HH TYR 4 10.586 -3.135 0.030 40 H LEU 5 H LEU 5 6.108 -1.914 -7.152 41 HA LEU 5 HA LEU 5 7.316 -1.511 -9.724 42 HB2 LEU 5 HB2 LEU 5 5.617 -2.747 -10.548 43 HB3 LEU 5 HB3 LEU 5 5.463 -3.218 -8.856 44 HG LEU 5 HG LEU 5 3.792 -1.138 -8.851 45 HD11 LEU 5 HD11 LEU 5 2.910 -0.539 -10.824 46 HD12 LEU 5 HD12 LEU 5 2.977 -2.178 -11.470 47 HD13 LEU 5 HD13 LEU 5 4.419 -1.163 -11.490 48 HD21 LEU 5 HD21 LEU 5 3.152 -3.926 -9.806 49 HD22 LEU 5 HD22 LEU 5 1.969 -2.760 -9.212 50 HD23 LEU 5 HD23 LEU 5 3.222 -3.374 -8.132 51 H GLN 6 H GLN 6 5.527 0.422 -7.573 52 HA GLN 6 HA GLN 6 4.049 2.063 -9.260 53 HB2 GLN 6 HB2 GLN 6 4.339 3.804 -7.474 54 HB3 GLN 6 HB3 GLN 6 3.754 2.248 -6.898 55 HG2 GLN 6 HG2 GLN 6 5.330 2.509 -5.334 56 HG3 GLN 6 HG3 GLN 6 6.413 1.915 -6.592 57 HE21 GLN 6 HE21 GLN 6 8.187 3.008 -5.809 58 HE22 GLN 6 HE22 GLN 6 8.348 4.725 -5.910 59 H THR 7 H THR 7 7.413 2.438 -8.172 60 HA THR 7 HA THR 7 7.920 4.819 -9.602 61 HB THR 7 HB THR 7 9.391 4.241 -7.803 62 HG1 THR 7 HG1 THR 7 10.303 5.251 -9.759 63 HG21 THR 7 HG21 THR 7 9.290 1.626 -8.990 64 HG22 THR 7 HG22 THR 7 9.878 2.104 -7.398 65 HG23 THR 7 HG23 THR 7 10.967 2.129 -8.785 66 H GLU 8 H GLU 8 8.056 1.440 -10.486 67 HA GLU 8 HA GLU 8 9.656 1.512 -12.740 68 HB2 GLU 8 HB2 GLU 8 7.819 -0.304 -11.567 69 HB3 GLU 8 HB3 GLU 8 7.404 -0.174 -13.271 70 HG2 GLU 8 HG2 GLU 8 9.650 -0.778 -13.908 71 HG3 GLU 8 HG3 GLU 8 10.153 -0.800 -12.218 72 H TYR 9 H TYR 9 6.233 2.333 -12.419 73 HA TYR 9 HA TYR 9 5.782 2.766 -15.189 74 HB2 TYR 9 HB2 TYR 9 4.275 2.979 -12.726 75 HB3 TYR 9 HB3 TYR 9 3.949 4.348 -13.783 76 HD1 TYR 9 HD2 TYR 9 3.113 3.920 -16.111 77 HD2 TYR 9 HD1 TYR 9 3.393 0.833 -13.197 78 HE1 TYR 9 HE2 TYR 9 1.574 2.535 -17.439 79 HE2 TYR 9 HE1 TYR 9 1.856 -0.561 -14.516 80 HH TYR 9 HH TYR 9 1.091 -0.776 -16.828 81 H TYR 10 H TYR 10 6.619 4.898 -12.493 82 HA TYR 10 HA TYR 10 6.479 7.311 -13.976 83 HB2 TYR 10 HB2 TYR 10 8.108 6.764 -11.489 84 HB3 TYR 10 HB3 TYR 10 7.588 8.337 -12.082 85 HD1 TYR 10 HD1 TYR 10 4.761 7.730 -12.788 86 HD2 TYR 10 HD2 TYR 10 7.074 6.616 -9.394 87 HE1 TYR 10 HE1 TYR 10 2.704 7.557 -11.450 88 HE2 TYR 10 HE2 TYR 10 5.023 6.439 -8.048 89 HH TYR 10 HH TYR 10 2.415 7.732 -8.491 90 H ASP 11 H ASP 11 8.883 4.849 -13.646 91 HA ASP 11 HA ASP 11 11.189 6.293 -14.321 92 HB2 ASP 11 HB2 ASP 11 10.461 3.552 -13.962 93 HB3 ASP 11 HB3 ASP 11 11.379 3.696 -15.459 94 H VAL 12 H VAL 12 8.605 4.991 -16.283 95 HA VAL 12 HA VAL 12 10.018 5.575 -18.759 96 HB VAL 12 HB VAL 12 7.218 4.519 -18.343 97 HG11 VAL 12 HG11 VAL 12 7.106 5.327 -20.478 98 HG12 VAL 12 HG12 VAL 12 8.839 5.144 -20.757 99 HG13 VAL 12 HG13 VAL 12 7.784 3.731 -20.797 100 HG21 VAL 12 HG21 VAL 12 8.287 2.649 -17.735 101 HG22 VAL 12 HG22 VAL 12 8.713 2.499 -19.440 102 HG23 VAL 12 HG23 VAL 12 9.845 3.244 -18.310 103 H MET 13 H MET 13 7.559 6.935 -16.714 104 HA MET 13 HA MET 13 6.934 8.973 -18.731 105 HB2 MET 13 HB2 MET 13 5.098 7.689 -17.513 106 HB3 MET 13 HB3 MET 13 5.555 8.595 -16.077 107 HG2 MET 13 HG2 MET 13 5.226 10.659 -17.656 108 HG3 MET 13 HG3 MET 13 4.230 9.528 -18.569 109 HE1 MET 13 HE1 MET 13 3.793 11.182 -14.431 110 HE2 MET 13 HE2 MET 13 3.992 9.437 -14.271 111 HE3 MET 13 HE3 MET 13 5.209 10.389 -15.122 112 H THR 14 H THR 14 9.461 8.944 -17.329 113 HA THR 14 HA THR 14 9.303 11.068 -15.360 114 HB THR 14 HB THR 14 10.924 9.114 -15.209 115 HG1 THR 14 HG1 THR 14 11.120 11.158 -14.040 116 HG21 THR 14 HG21 THR 14 12.556 10.741 -17.151 117 HG22 THR 14 HG22 THR 14 11.623 9.323 -17.632 118 HG23 THR 14 HG23 THR 14 12.937 9.161 -16.467 119 H VAL 15 H VAL 15 9.291 10.958 -18.656 120 HA VAL 15 HA VAL 15 10.947 13.331 -19.050 121 HB VAL 15 HB VAL 15 9.400 11.784 -21.130 122 HG11 VAL 15 HG11 VAL 15 11.387 14.006 -21.199 123 HG12 VAL 15 HG12 VAL 15 11.350 12.841 -22.525 124 HG13 VAL 15 HG13 VAL 15 9.911 13.785 -22.138 125 HG21 VAL 15 HG21 VAL 15 10.867 10.135 -20.823 126 HG22 VAL 15 HG22 VAL 15 12.103 11.230 -21.444 127 HG23 VAL 15 HG23 VAL 15 11.828 11.104 -19.706 128 H ILE 16 H ILE 16 7.963 12.854 -17.947 129 HA ILE 16 HA ILE 16 7.018 15.408 -19.012 130 HB ILE 16 HB ILE 16 5.127 13.076 -18.808 131 HG12 ILE 16 HG12 ILE 16 5.327 13.365 -21.453 132 HG13 ILE 16 HG13 ILE 16 6.960 13.861 -21.023 133 HG21 ILE 16 HG21 ILE 16 3.866 15.003 -18.790 134 HG22 ILE 16 HG22 ILE 16 4.993 15.878 -19.825 135 HG23 ILE 16 HG23 ILE 16 3.936 14.647 -20.516 136 HD11 ILE 16 HD11 ILE 16 7.536 11.777 -20.266 137 HD12 ILE 16 HD12 ILE 16 5.868 11.327 -19.908 138 HD13 ILE 16 HD13 ILE 16 6.429 11.374 -21.579 139 H SER 17 H SER 17 7.796 13.656 -16.414 140 HA SER 17 HA SER 17 5.614 14.628 -14.713 141 HB2 SER 17 HB2 SER 17 7.421 12.340 -14.627 142 HB3 SER 17 HB3 SER 17 7.359 13.203 -13.090 143 HG SER 17 HG SER 17 4.907 12.817 -14.269 144 HA PRO 18 HA PRO 18 9.422 16.424 -12.403 145 HB2 PRO 18 HB2 PRO 18 11.895 15.901 -13.392 146 HB3 PRO 18 HB3 PRO 18 11.078 14.839 -12.240 147 HG2 PRO 18 HG2 PRO 18 11.309 14.585 -15.213 148 HG3 PRO 18 HG3 PRO 18 11.472 13.334 -13.968 149 HD2 PRO 18 HD2 PRO 18 9.210 13.658 -15.420 150 HD3 PRO 18 HD3 PRO 18 9.192 13.087 -13.739 151 HA PRO 19 HA PRO 19 11.029 18.660 -16.444 152 HB2 PRO 19 HB2 PRO 19 9.547 18.096 -18.648 153 HB3 PRO 19 HB3 PRO 19 11.009 17.200 -18.218 154 HG2 PRO 19 HG2 PRO 19 8.140 16.476 -17.759 155 HG3 PRO 19 HG3 PRO 19 9.477 15.453 -18.316 156 HD2 PRO 19 HD2 PRO 19 8.597 15.434 -15.756 157 HD3 PRO 19 HD3 PRO 19 10.295 15.144 -16.184 158 H GLU 20 H GLU 20 7.791 18.027 -15.451 159 HA GLU 20 HA GLU 20 6.667 20.410 -16.629 160 HB2 GLU 20 HB2 GLU 20 5.670 18.036 -15.361 161 HB3 GLU 20 HB3 GLU 20 4.980 19.449 -14.574 162 HG2 GLU 20 HG2 GLU 20 4.823 19.953 -17.322 163 HG3 GLU 20 HG3 GLU 20 4.332 18.274 -17.105 164 H PHE 21 H PHE 21 8.338 19.588 -13.758 165 HA PHE 21 HA PHE 21 7.298 21.427 -11.932 166 HB2 PHE 21 HB2 PHE 21 9.424 19.605 -11.992 167 HB3 PHE 21 HB3 PHE 21 10.170 21.166 -11.664 168 HD1 PHE 21 HD1 PHE 21 7.160 19.238 -10.581 169 HD2 PHE 21 HD2 PHE 21 10.428 21.727 -9.462 170 HE1 PHE 21 HE1 PHE 21 6.486 19.058 -8.221 171 HE2 PHE 21 HE2 PHE 21 9.759 21.549 -7.101 172 HZ PHE 21 HZ PHE 21 7.786 20.213 -6.478 173 H GLY 22 H GLY 22 9.596 21.832 -14.552 174 HA2 GLY 22 HA2 GLY 22 10.614 23.696 -15.429 175 HA3 GLY 22 HA3 GLY 22 9.150 24.533 -14.933 Start of MODEL 28 1 H1 TRP 1 H TRP 1 0.927 -7.813 -3.498 2 HA TRP 1 HA TRP 1 1.329 -6.228 -1.916 3 HB2 TRP 1 HB2 TRP 1 4.112 -7.378 -2.169 4 HB3 TRP 1 HB3 TRP 1 3.659 -6.193 -0.947 5 HD1 TRP 1 HD1 TRP 1 0.666 -7.932 -0.832 6 HE1 TRP 1 HE1 TRP 1 0.667 -9.930 0.790 7 HE3 TRP 1 HE3 TRP 1 5.713 -8.543 -0.300 8 HZ2 TRP 1 HZ2 TRP 1 2.557 -11.551 2.119 9 HZ3 TRP 1 HZ3 TRP 1 6.536 -10.341 1.165 10 HH2 TRP 1 HH2 TRP 1 4.988 -11.812 2.349 11 H ARG 2 H ARG 2 2.940 -4.292 -1.399 12 HA ARG 2 HA ARG 2 3.522 -2.965 -3.966 13 HB2 ARG 2 HB2 ARG 2 2.376 -1.813 -1.422 14 HB3 ARG 2 HB3 ARG 2 2.992 -0.822 -2.738 15 HG2 ARG 2 HG2 ARG 2 1.075 -0.991 -3.830 16 HG3 ARG 2 HG3 ARG 2 1.140 -2.753 -3.761 17 HD2 ARG 2 HD2 ARG 2 -0.135 -2.861 -1.853 18 HD3 ARG 2 HD3 ARG 2 0.335 -1.247 -1.321 19 HE ARG 2 HE ARG 2 -1.200 -1.119 -3.701 20 HH11 ARG 2 HH11 ARG 2 -1.468 -1.650 -0.271 21 HH12 ARG 2 HH12 ARG 2 -3.102 -1.081 -0.178 22 HH21 ARG 2 HH21 ARG 2 -3.351 -0.368 -3.592 23 HH22 ARG 2 HH22 ARG 2 -4.173 -0.353 -2.068 24 HA PRO 3 HA PRO 3 7.410 -3.210 -1.412 25 HB2 PRO 3 HB2 PRO 3 8.978 -4.099 -3.442 26 HB3 PRO 3 HB3 PRO 3 8.049 -5.183 -2.399 27 HG2 PRO 3 HG2 PRO 3 7.398 -4.175 -5.142 28 HG3 PRO 3 HG3 PRO 3 7.217 -5.809 -4.479 29 HD2 PRO 3 HD2 PRO 3 5.137 -4.091 -4.707 30 HD3 PRO 3 HD3 PRO 3 5.246 -5.290 -3.402 31 H TYR 4 H TYR 4 7.172 -2.262 -4.845 32 HA TYR 4 HA TYR 4 8.144 0.388 -4.218 33 HB2 TYR 4 HB2 TYR 4 9.764 -1.571 -5.835 34 HB3 TYR 4 HB3 TYR 4 9.946 0.168 -6.033 35 HD1 TYR 4 HD2 TYR 4 10.064 1.374 -3.544 36 HD2 TYR 4 HD1 TYR 4 11.405 -2.537 -4.549 37 HE1 TYR 4 HE2 TYR 4 11.629 1.430 -1.648 38 HE2 TYR 4 HE1 TYR 4 12.973 -2.492 -2.655 39 HH TYR 4 HH TYR 4 13.353 -1.382 -0.605 40 H LEU 5 H LEU 5 6.959 1.750 -5.367 41 HA LEU 5 HA LEU 5 6.350 1.184 -8.153 42 HB2 LEU 5 HB2 LEU 5 3.916 2.061 -7.421 43 HB3 LEU 5 HB3 LEU 5 4.341 0.359 -7.588 44 HG LEU 5 HG LEU 5 4.748 1.595 -4.924 45 HD11 LEU 5 HD11 LEU 5 2.406 2.198 -6.110 46 HD12 LEU 5 HD12 LEU 5 2.590 1.925 -4.378 47 HD13 LEU 5 HD13 LEU 5 2.013 0.623 -5.419 48 HD21 LEU 5 HD21 LEU 5 5.042 -0.889 -5.831 49 HD22 LEU 5 HD22 LEU 5 3.333 -0.967 -5.401 50 HD23 LEU 5 HD23 LEU 5 4.533 -0.541 -4.179 51 H GLN 6 H GLN 6 6.061 3.394 -5.410 52 HA GLN 6 HA GLN 6 5.324 5.722 -6.668 53 HB2 GLN 6 HB2 GLN 6 5.691 5.394 -4.205 54 HB3 GLN 6 HB3 GLN 6 7.418 5.549 -4.499 55 HG2 GLN 6 HG2 GLN 6 6.851 7.805 -5.554 56 HG3 GLN 6 HG3 GLN 6 5.278 7.625 -4.780 57 HE21 GLN 6 HE21 GLN 6 5.184 8.793 -3.011 58 HE22 GLN 6 HE22 GLN 6 6.443 8.987 -1.844 59 H THR 7 H THR 7 8.572 4.336 -6.403 60 HA THR 7 HA THR 7 9.682 6.474 -8.040 61 HB THR 7 HB THR 7 11.004 5.710 -6.132 62 HG1 THR 7 HG1 THR 7 12.342 6.421 -7.695 63 HG21 THR 7 HG21 THR 7 11.443 3.558 -5.649 64 HG22 THR 7 HG22 THR 7 11.784 3.152 -7.331 65 HG23 THR 7 HG23 THR 7 10.118 3.201 -6.755 66 H GLU 8 H GLU 8 8.779 3.107 -8.278 67 HA GLU 8 HA GLU 8 10.134 2.535 -10.702 68 HB2 GLU 8 HB2 GLU 8 8.255 1.200 -8.937 69 HB3 GLU 8 HB3 GLU 8 7.883 0.890 -10.627 70 HG2 GLU 8 HG2 GLU 8 10.343 0.291 -10.889 71 HG3 GLU 8 HG3 GLU 8 10.401 0.264 -9.128 72 H TYR 9 H TYR 9 7.285 4.293 -9.974 73 HA TYR 9 HA TYR 9 6.113 4.000 -12.604 74 HB2 TYR 9 HB2 TYR 9 4.939 4.436 -10.276 75 HB3 TYR 9 HB3 TYR 9 5.243 6.121 -10.686 76 HD1 TYR 9 HD2 TYR 9 4.577 6.678 -13.250 77 HD2 TYR 9 HD1 TYR 9 2.876 3.600 -10.856 78 HE1 TYR 9 HE2 TYR 9 2.563 6.702 -14.661 79 HE2 TYR 9 HE1 TYR 9 0.858 3.614 -12.261 80 HH TYR 9 HH TYR 9 -0.083 4.407 -14.125 81 H TYR 10 H TYR 10 7.938 6.414 -10.797 82 HA TYR 10 HA TYR 10 7.697 8.578 -12.525 83 HB2 TYR 10 HB2 TYR 10 10.017 7.749 -10.774 84 HB3 TYR 10 HB3 TYR 10 9.905 9.309 -11.582 85 HD1 TYR 10 HD1 TYR 10 6.968 9.822 -11.187 86 HD2 TYR 10 HD2 TYR 10 9.953 8.395 -8.512 87 HE1 TYR 10 HE1 TYR 10 5.686 10.717 -9.289 88 HE2 TYR 10 HE2 TYR 10 8.678 9.284 -6.606 89 HH TYR 10 HH TYR 10 6.872 11.284 -6.374 90 H ASP 11 H ASP 11 9.876 5.811 -12.642 91 HA ASP 11 HA ASP 11 11.609 6.667 -14.644 92 HB2 ASP 11 HB2 ASP 11 10.636 3.938 -13.830 93 HB3 ASP 11 HB3 ASP 11 11.768 4.143 -15.163 94 H VAL 12 H VAL 12 8.382 5.294 -14.861 95 HA VAL 12 HA VAL 12 8.494 5.196 -17.766 96 HB VAL 12 HB VAL 12 6.127 4.637 -15.977 97 HG11 VAL 12 HG11 VAL 12 6.702 4.289 -18.883 98 HG12 VAL 12 HG12 VAL 12 5.634 3.142 -18.071 99 HG13 VAL 12 HG13 VAL 12 5.237 4.861 -18.085 100 HG21 VAL 12 HG21 VAL 12 8.264 2.776 -17.005 101 HG22 VAL 12 HG22 VAL 12 7.890 3.149 -15.322 102 HG23 VAL 12 HG23 VAL 12 6.737 2.242 -16.301 103 H MET 13 H MET 13 7.272 7.233 -15.229 104 HA MET 13 HA MET 13 5.793 8.860 -17.171 105 HB2 MET 13 HB2 MET 13 4.736 8.091 -14.980 106 HB3 MET 13 HB3 MET 13 5.818 9.222 -14.179 107 HG2 MET 13 HG2 MET 13 4.803 10.935 -15.867 108 HG3 MET 13 HG3 MET 13 3.494 9.759 -15.959 109 HE1 MET 13 HE1 MET 13 5.947 11.115 -13.579 110 HE2 MET 13 HE2 MET 13 5.028 12.300 -12.651 111 HE3 MET 13 HE3 MET 13 5.191 10.648 -12.056 112 H THR 14 H THR 14 8.676 8.832 -17.127 113 HA THR 14 HA THR 14 9.489 11.314 -15.867 114 HB THR 14 HB THR 14 10.972 9.250 -16.058 115 HG1 THR 14 HG1 THR 14 11.729 11.420 -15.575 116 HG21 THR 14 HG21 THR 14 10.388 9.039 -18.568 117 HG22 THR 14 HG22 THR 14 12.050 8.736 -18.062 118 HG23 THR 14 HG23 THR 14 11.620 10.278 -18.801 119 H VAL 15 H VAL 15 7.894 10.547 -18.652 120 HA VAL 15 HA VAL 15 9.166 12.577 -20.317 121 HB VAL 15 HB VAL 15 6.772 10.860 -20.979 122 HG11 VAL 15 HG11 VAL 15 7.781 11.379 -23.340 123 HG12 VAL 15 HG12 VAL 15 6.732 12.549 -22.537 124 HG13 VAL 15 HG13 VAL 15 8.483 12.765 -22.507 125 HG21 VAL 15 HG21 VAL 15 8.581 9.635 -22.376 126 HG22 VAL 15 HG22 VAL 15 9.711 10.344 -21.221 127 HG23 VAL 15 HG23 VAL 15 8.430 9.271 -20.657 128 H ILE 16 H ILE 16 7.096 12.700 -17.852 129 HA ILE 16 HA ILE 16 5.811 15.113 -18.883 130 HB ILE 16 HB ILE 16 4.193 13.115 -17.320 131 HG12 ILE 16 HG12 ILE 16 4.311 13.457 -20.325 132 HG13 ILE 16 HG13 ILE 16 4.854 12.046 -19.423 133 HG21 ILE 16 HG21 ILE 16 2.727 14.834 -19.081 134 HG22 ILE 16 HG22 ILE 16 2.638 14.697 -17.325 135 HG23 ILE 16 HG23 ILE 16 3.803 15.794 -18.066 136 HD11 ILE 16 HD11 ILE 16 2.030 13.042 -19.687 137 HD12 ILE 16 HD12 ILE 16 2.721 11.586 -20.403 138 HD13 ILE 16 HD13 ILE 16 2.531 11.703 -18.654 139 H SER 17 H SER 17 7.700 13.771 -16.636 140 HA SER 17 HA SER 17 6.629 15.290 -14.369 141 HB2 SER 17 HB2 SER 17 8.232 12.864 -14.650 142 HB3 SER 17 HB3 SER 17 8.909 13.991 -13.475 143 HG SER 17 HG SER 17 6.463 14.034 -12.848 144 HA PRO 18 HA PRO 18 11.105 17.016 -14.549 145 HB2 PRO 18 HB2 PRO 18 12.797 16.025 -16.427 146 HB3 PRO 18 HB3 PRO 18 12.611 15.302 -14.825 147 HG2 PRO 18 HG2 PRO 18 11.390 14.474 -17.430 148 HG3 PRO 18 HG3 PRO 18 12.107 13.466 -16.159 149 HD2 PRO 18 HD2 PRO 18 9.431 13.784 -16.432 150 HD3 PRO 18 HD3 PRO 18 10.208 13.542 -14.854 151 HA PRO 19 HA PRO 19 10.628 18.253 -19.256 152 HB2 PRO 19 HB2 PRO 19 8.266 17.469 -20.340 153 HB3 PRO 19 HB3 PRO 19 9.741 16.501 -20.449 154 HG2 PRO 19 HG2 PRO 19 7.426 16.223 -18.571 155 HG3 PRO 19 HG3 PRO 19 8.319 14.962 -19.441 156 HD2 PRO 19 HD2 PRO 19 8.765 15.525 -16.830 157 HD3 PRO 19 HD3 PRO 19 10.049 14.960 -17.918 158 H GLU 20 H GLU 20 8.237 18.202 -16.773 159 HA GLU 20 HA GLU 20 6.742 20.453 -17.792 160 HB2 GLU 20 HB2 GLU 20 5.453 18.926 -16.536 161 HB3 GLU 20 HB3 GLU 20 6.643 18.858 -15.243 162 HG2 GLU 20 HG2 GLU 20 4.653 20.109 -14.592 163 HG3 GLU 20 HG3 GLU 20 6.099 21.117 -14.576 164 H PHE 21 H PHE 21 9.519 19.943 -15.842 165 HA PHE 21 HA PHE 21 9.494 22.197 -14.199 166 HB2 PHE 21 HB2 PHE 21 11.309 20.142 -14.822 167 HB3 PHE 21 HB3 PHE 21 12.163 21.646 -15.151 168 HD1 PHE 21 HD1 PHE 21 9.833 20.356 -12.531 169 HD2 PHE 21 HD2 PHE 21 13.451 22.412 -13.426 170 HE1 PHE 21 HE1 PHE 21 10.271 20.626 -10.124 171 HE2 PHE 21 HE2 PHE 21 13.896 22.684 -11.022 172 HZ PHE 21 HZ PHE 21 12.305 21.790 -9.367 173 H GLY 22 H GLY 22 10.368 21.829 -17.579 174 HA2 GLY 22 HA2 GLY 22 10.933 23.362 -19.195 175 HA3 GLY 22 HA3 GLY 22 9.879 24.451 -18.306 Start of MODEL 29 1 H1 TRP 1 H TRP 1 4.376 1.392 2.707 2 HA TRP 1 HA TRP 1 1.945 0.349 1.494 3 HB2 TRP 1 HB2 TRP 1 3.292 2.898 0.594 4 HB3 TRP 1 HB3 TRP 1 2.202 1.974 -0.436 5 HD1 TRP 1 HD1 TRP 1 0.436 1.417 2.494 6 HE1 TRP 1 HE1 TRP 1 -1.290 3.244 3.049 7 HE3 TRP 1 HE3 TRP 1 2.223 5.157 -0.499 8 HZ2 TRP 1 HZ2 TRP 1 -1.823 5.917 2.315 9 HZ3 TRP 1 HZ3 TRP 1 1.047 7.318 -0.515 10 HH2 TRP 1 HH2 TRP 1 -0.935 7.688 0.863 11 H ARG 2 H ARG 2 5.329 1.297 1.061 12 HA ARG 2 HA ARG 2 7.035 0.385 -0.138 13 HB2 ARG 2 HB2 ARG 2 5.365 -2.070 0.399 14 HB3 ARG 2 HB3 ARG 2 6.939 -2.141 -0.381 15 HG2 ARG 2 HG2 ARG 2 6.430 -0.998 2.357 16 HG3 ARG 2 HG3 ARG 2 7.021 -2.629 2.033 17 HD2 ARG 2 HD2 ARG 2 8.649 -0.834 0.576 18 HD3 ARG 2 HD3 ARG 2 8.488 -0.188 2.208 19 HE ARG 2 HE ARG 2 9.093 -2.981 2.194 20 HH11 ARG 2 HH11 ARG 2 10.471 0.204 1.912 21 HH12 ARG 2 HH12 ARG 2 12.041 -0.285 2.459 22 HH21 ARG 2 HH21 ARG 2 11.156 -3.636 2.916 23 HH22 ARG 2 HH22 ARG 2 12.429 -2.469 3.029 24 HA PRO 3 HA PRO 3 4.500 0.586 -4.041 25 HB2 PRO 3 HB2 PRO 3 5.818 2.723 -5.075 26 HB3 PRO 3 HB3 PRO 3 4.431 2.882 -3.991 27 HG2 PRO 3 HG2 PRO 3 7.352 3.088 -3.372 28 HG3 PRO 3 HG3 PRO 3 6.014 4.105 -2.806 29 HD2 PRO 3 HD2 PRO 3 7.101 2.147 -1.284 30 HD3 PRO 3 HD3 PRO 3 5.385 2.593 -1.184 31 H TYR 4 H TYR 4 5.276 -1.178 -5.089 32 HA TYR 4 HA TYR 4 8.093 -1.305 -5.832 33 HB2 TYR 4 HB2 TYR 4 6.370 -3.240 -5.007 34 HB3 TYR 4 HB3 TYR 4 6.270 -3.436 -6.754 35 HD1 TYR 4 HD1 TYR 4 8.588 -3.539 -7.996 36 HD2 TYR 4 HD2 TYR 4 8.042 -4.349 -3.855 37 HE1 TYR 4 HE1 TYR 4 10.686 -4.823 -7.976 38 HE2 TYR 4 HE2 TYR 4 10.139 -5.633 -3.823 39 HH TYR 4 HH TYR 4 12.457 -5.423 -5.951 40 H LEU 5 H LEU 5 4.934 -0.869 -7.268 41 HA LEU 5 HA LEU 5 6.151 -0.743 -9.940 42 HB2 LEU 5 HB2 LEU 5 3.592 -0.607 -10.543 43 HB3 LEU 5 HB3 LEU 5 4.386 -2.147 -10.219 44 HG LEU 5 HG LEU 5 3.031 -0.732 -7.972 45 HD11 LEU 5 HD11 LEU 5 1.581 -0.913 -10.167 46 HD12 LEU 5 HD12 LEU 5 0.903 -1.283 -8.582 47 HD13 LEU 5 HD13 LEU 5 1.424 -2.590 -9.645 48 HD21 LEU 5 HD21 LEU 5 4.423 -2.996 -8.044 49 HD22 LEU 5 HD22 LEU 5 2.847 -3.643 -8.501 50 HD23 LEU 5 HD23 LEU 5 3.036 -2.775 -6.977 51 H GLN 6 H GLN 6 4.358 1.092 -7.560 52 HA GLN 6 HA GLN 6 3.531 3.276 -9.028 53 HB2 GLN 6 HB2 GLN 6 3.769 2.621 -6.303 54 HB3 GLN 6 HB3 GLN 6 4.606 4.154 -6.502 55 HG2 GLN 6 HG2 GLN 6 2.552 4.993 -6.161 56 HG3 GLN 6 HG3 GLN 6 2.380 4.686 -7.888 57 HE21 GLN 6 HE21 GLN 6 0.697 3.533 -8.501 58 HE22 GLN 6 HE22 GLN 6 -0.247 2.497 -7.491 59 H THR 7 H THR 7 6.712 2.663 -7.600 60 HA THR 7 HA THR 7 7.775 5.153 -8.631 61 HB THR 7 HB THR 7 8.541 4.286 -6.448 62 HG1 THR 7 HG1 THR 7 9.941 5.627 -7.683 63 HG21 THR 7 HG21 THR 7 10.102 2.187 -7.921 64 HG22 THR 7 HG22 THR 7 8.482 1.851 -7.308 65 HG23 THR 7 HG23 THR 7 9.768 2.315 -6.195 66 H GLU 8 H GLU 8 7.688 1.792 -9.516 67 HA GLU 8 HA GLU 8 9.862 1.822 -11.340 68 HB2 GLU 8 HB2 GLU 8 7.973 -0.073 -10.385 69 HB3 GLU 8 HB3 GLU 8 7.891 -0.086 -12.141 70 HG2 GLU 8 HG2 GLU 8 10.341 -0.410 -12.211 71 HG3 GLU 8 HG3 GLU 8 10.343 -0.515 -10.451 72 H TYR 9 H TYR 9 6.470 2.636 -11.590 73 HA TYR 9 HA TYR 9 6.362 2.709 -14.433 74 HB2 TYR 9 HB2 TYR 9 4.430 2.601 -12.673 75 HB3 TYR 9 HB3 TYR 9 4.554 4.357 -12.697 76 HD1 TYR 9 HD2 TYR 9 4.597 5.388 -15.161 77 HD2 TYR 9 HD1 TYR 9 2.929 1.615 -14.118 78 HE1 TYR 9 HE2 TYR 9 3.182 5.464 -17.171 79 HE2 TYR 9 HE1 TYR 9 1.510 1.681 -16.127 80 HH TYR 9 HH TYR 9 0.708 4.179 -17.731 81 H TYR 10 H TYR 10 7.101 5.066 -11.934 82 HA TYR 10 HA TYR 10 7.035 7.377 -13.535 83 HB2 TYR 10 HB2 TYR 10 8.663 6.789 -11.055 84 HB3 TYR 10 HB3 TYR 10 8.455 8.386 -11.764 85 HD1 TYR 10 HD1 TYR 10 5.531 8.150 -12.491 86 HD2 TYR 10 HD2 TYR 10 7.652 7.122 -8.948 87 HE1 TYR 10 HE1 TYR 10 3.477 8.469 -11.176 88 HE2 TYR 10 HE2 TYR 10 5.603 7.437 -7.624 89 HH TYR 10 HH TYR 10 2.506 7.905 -9.111 90 H ASP 11 H ASP 11 9.414 4.875 -13.137 91 HA ASP 11 HA ASP 11 11.712 6.170 -14.031 92 HB2 ASP 11 HB2 ASP 11 10.906 3.493 -13.500 93 HB3 ASP 11 HB3 ASP 11 11.688 3.513 -15.078 94 H VAL 12 H VAL 12 9.155 4.556 -15.880 95 HA VAL 12 HA VAL 12 10.409 5.182 -18.407 96 HB VAL 12 HB VAL 12 7.620 4.124 -17.943 97 HG11 VAL 12 HG11 VAL 12 8.123 3.116 -20.246 98 HG12 VAL 12 HG12 VAL 12 7.766 4.842 -20.164 99 HG13 VAL 12 HG13 VAL 12 9.434 4.292 -20.327 100 HG21 VAL 12 HG21 VAL 12 8.556 1.893 -18.248 101 HG22 VAL 12 HG22 VAL 12 10.179 2.577 -18.351 102 HG23 VAL 12 HG23 VAL 12 9.270 2.686 -16.844 103 H MET 13 H MET 13 7.941 6.519 -16.343 104 HA MET 13 HA MET 13 7.198 8.466 -18.408 105 HB2 MET 13 HB2 MET 13 5.444 7.162 -17.093 106 HB3 MET 13 HB3 MET 13 5.907 8.136 -15.704 107 HG2 MET 13 HG2 MET 13 5.457 10.131 -17.329 108 HG3 MET 13 HG3 MET 13 4.493 8.938 -18.196 109 HE1 MET 13 HE1 MET 13 4.252 9.024 -13.852 110 HE2 MET 13 HE2 MET 13 5.500 9.853 -14.781 111 HE3 MET 13 HE3 MET 13 4.117 10.755 -14.160 112 H THR 14 H THR 14 9.763 8.594 -17.110 113 HA THR 14 HA THR 14 9.591 10.762 -15.191 114 HB THR 14 HB THR 14 11.306 8.882 -15.070 115 HG1 THR 14 HG1 THR 14 11.402 11.105 -14.062 116 HG21 THR 14 HG21 THR 14 11.896 9.092 -17.528 117 HG22 THR 14 HG22 THR 14 13.258 8.992 -16.412 118 HG23 THR 14 HG23 THR 14 12.789 10.549 -17.093 119 H VAL 15 H VAL 15 9.448 10.562 -18.481 120 HA VAL 15 HA VAL 15 10.985 12.984 -19.014 121 HB VAL 15 HB VAL 15 9.380 11.332 -20.966 122 HG11 VAL 15 HG11 VAL 15 9.750 13.332 -22.041 123 HG12 VAL 15 HG12 VAL 15 11.279 13.621 -21.208 124 HG13 VAL 15 HG13 VAL 15 11.191 12.426 -22.503 125 HG21 VAL 15 HG21 VAL 15 11.900 10.774 -19.667 126 HG22 VAL 15 HG22 VAL 15 10.928 9.749 -20.724 127 HG23 VAL 15 HG23 VAL 15 12.087 10.883 -21.417 128 H ILE 16 H ILE 16 8.066 12.414 -17.760 129 HA ILE 16 HA ILE 16 6.990 14.926 -18.802 130 HB ILE 16 HB ILE 16 5.189 12.535 -18.492 131 HG12 ILE 16 HG12 ILE 16 5.263 12.803 -21.147 132 HG13 ILE 16 HG13 ILE 16 6.897 13.353 -20.793 133 HG21 ILE 16 HG21 ILE 16 4.906 15.347 -19.349 134 HG22 ILE 16 HG22 ILE 16 3.988 14.150 -20.262 135 HG23 ILE 16 HG23 ILE 16 3.764 14.291 -18.518 136 HD11 ILE 16 HD11 ILE 16 5.708 10.664 -20.573 137 HD12 ILE 16 HD12 ILE 16 7.336 11.157 -21.039 138 HD13 ILE 16 HD13 ILE 16 6.878 11.121 -19.336 139 H SER 17 H SER 17 7.948 13.237 -16.226 140 HA SER 17 HA SER 17 5.808 14.137 -14.437 141 HB2 SER 17 HB2 SER 17 7.737 11.944 -14.401 142 HB3 SER 17 HB3 SER 17 7.677 12.819 -12.871 143 HG SER 17 HG SER 17 5.220 12.564 -13.386 144 HA PRO 18 HA PRO 18 9.624 16.141 -12.322 145 HB2 PRO 18 HB2 PRO 18 12.076 15.706 -13.404 146 HB3 PRO 18 HB3 PRO 18 11.352 14.632 -12.201 147 HG2 PRO 18 HG2 PRO 18 11.475 14.333 -15.177 148 HG3 PRO 18 HG3 PRO 18 11.742 13.113 -13.918 149 HD2 PRO 18 HD2 PRO 18 9.412 13.313 -15.282 150 HD3 PRO 18 HD3 PRO 18 9.486 12.773 -13.592 151 HA PRO 19 HA PRO 19 10.970 18.369 -16.462 152 HB2 PRO 19 HB2 PRO 19 9.431 17.699 -18.596 153 HB3 PRO 19 HB3 PRO 19 10.947 16.876 -18.209 154 HG2 PRO 19 HG2 PRO 19 8.134 16.036 -17.625 155 HG3 PRO 19 HG3 PRO 19 9.492 15.062 -18.216 156 HD2 PRO 19 HD2 PRO 19 8.713 15.052 -15.623 157 HD3 PRO 19 HD3 PRO 19 10.405 14.829 -16.113 158 H GLU 20 H GLU 20 7.801 17.609 -15.340 159 HA GLU 20 HA GLU 20 6.538 19.931 -16.505 160 HB2 GLU 20 HB2 GLU 20 5.097 18.081 -16.234 161 HB3 GLU 20 HB3 GLU 20 5.632 17.802 -14.583 162 HG2 GLU 20 HG2 GLU 20 4.525 19.841 -13.861 163 HG3 GLU 20 HG3 GLU 20 4.018 20.164 -15.517 164 H PHE 21 H PHE 21 8.289 19.175 -13.652 165 HA PHE 21 HA PHE 21 7.229 20.994 -11.823 166 HB2 PHE 21 HB2 PHE 21 9.423 19.249 -11.921 167 HB3 PHE 21 HB3 PHE 21 10.108 20.838 -11.597 168 HD1 PHE 21 HD1 PHE 21 7.178 18.806 -10.485 169 HD2 PHE 21 HD2 PHE 21 10.387 21.381 -9.393 170 HE1 PHE 21 HE1 PHE 21 6.542 18.590 -8.118 171 HE2 PHE 21 HE2 PHE 21 9.756 21.168 -7.025 172 HZ PHE 21 HZ PHE 21 7.832 19.771 -6.384 173 H GLY 22 H GLY 22 9.429 21.463 -14.508 174 HA2 GLY 22 HA2 GLY 22 10.362 23.354 -15.420 175 HA3 GLY 22 HA3 GLY 22 8.896 24.151 -14.871 Start of MODEL 30 1 H1 TRP 1 H TRP 1 2.138 -5.262 0.369 2 HA TRP 1 HA TRP 1 4.341 -6.624 -0.831 3 HB2 TRP 1 HB2 TRP 1 1.632 -6.777 -2.139 4 HB3 TRP 1 HB3 TRP 1 3.119 -6.881 -3.077 5 HD1 TRP 1 HD1 TRP 1 4.348 -8.599 -0.330 6 HE1 TRP 1 HE1 TRP 1 3.885 -11.130 -0.375 7 HE3 TRP 1 HE3 TRP 1 0.585 -8.675 -3.791 8 HZ2 TRP 1 HZ2 TRP 1 2.155 -12.922 -1.703 9 HZ3 TRP 1 HZ3 TRP 1 -0.419 -10.838 -4.393 10 HH2 TRP 1 HH2 TRP 1 0.351 -12.917 -3.370 11 H ARG 2 H ARG 2 4.873 -5.542 -3.029 12 HA ARG 2 HA ARG 2 5.535 -3.637 -4.085 13 HB2 ARG 2 HB2 ARG 2 2.903 -2.438 -3.240 14 HB3 ARG 2 HB3 ARG 2 3.847 -2.084 -4.681 15 HG2 ARG 2 HG2 ARG 2 2.463 -4.699 -4.121 16 HG3 ARG 2 HG3 ARG 2 1.837 -3.414 -5.156 17 HD2 ARG 2 HD2 ARG 2 3.667 -3.664 -6.681 18 HD3 ARG 2 HD3 ARG 2 4.485 -4.783 -5.591 19 HE ARG 2 HE ARG 2 1.991 -5.865 -6.198 20 HH11 ARG 2 HH11 ARG 2 4.965 -5.063 -7.820 21 HH12 ARG 2 HH12 ARG 2 4.798 -6.303 -9.018 22 HH21 ARG 2 HH21 ARG 2 1.760 -7.501 -7.770 23 HH22 ARG 2 HH22 ARG 2 2.974 -7.688 -8.990 24 HA PRO 3 HA PRO 3 6.691 -1.688 -0.031 25 HB2 PRO 3 HB2 PRO 3 9.368 -1.888 -0.433 26 HB3 PRO 3 HB3 PRO 3 8.405 -3.185 0.284 27 HG2 PRO 3 HG2 PRO 3 9.368 -2.875 -2.534 28 HG3 PRO 3 HG3 PRO 3 9.348 -4.324 -1.511 29 HD2 PRO 3 HD2 PRO 3 7.480 -3.859 -3.416 30 HD3 PRO 3 HD3 PRO 3 7.114 -4.729 -1.913 31 H TYR 4 H TYR 4 7.069 -1.050 -3.335 32 HA TYR 4 HA TYR 4 7.393 1.769 -2.839 33 HB2 TYR 4 HB2 TYR 4 9.594 0.121 -4.024 34 HB3 TYR 4 HB3 TYR 4 9.347 1.766 -4.599 35 HD1 TYR 4 HD2 TYR 4 8.782 3.364 -2.343 36 HD2 TYR 4 HD1 TYR 4 11.373 -0.003 -2.570 37 HE1 TYR 4 HE2 TYR 4 10.063 4.228 -0.430 38 HE2 TYR 4 HE1 TYR 4 12.661 0.852 -0.657 39 HH TYR 4 HH TYR 4 12.567 2.340 1.108 40 H LEU 5 H LEU 5 6.132 2.813 -4.225 41 HA LEU 5 HA LEU 5 5.825 1.822 -6.954 42 HB2 LEU 5 HB2 LEU 5 3.268 2.504 -6.474 43 HB3 LEU 5 HB3 LEU 5 3.886 0.857 -6.369 44 HG LEU 5 HG LEU 5 3.974 2.506 -3.903 45 HD11 LEU 5 HD11 LEU 5 1.423 1.115 -4.358 46 HD12 LEU 5 HD12 LEU 5 1.655 2.598 -5.283 47 HD13 LEU 5 HD13 LEU 5 1.762 2.632 -3.523 48 HD21 LEU 5 HD21 LEU 5 2.973 -0.293 -4.140 49 HD22 LEU 5 HD22 LEU 5 3.876 0.475 -2.834 50 HD23 LEU 5 HD23 LEU 5 4.697 0.025 -4.330 51 H GLN 6 H GLN 6 5.117 4.350 -4.587 52 HA GLN 6 HA GLN 6 4.219 6.371 -6.222 53 HB2 GLN 6 HB2 GLN 6 5.102 6.155 -3.577 54 HB3 GLN 6 HB3 GLN 6 6.106 7.411 -4.289 55 HG2 GLN 6 HG2 GLN 6 4.377 8.686 -3.575 56 HG3 GLN 6 HG3 GLN 6 3.777 8.273 -5.180 57 HE21 GLN 6 HE21 GLN 6 3.484 7.671 -1.764 58 HE22 GLN 6 HE22 GLN 6 1.950 6.880 -1.831 59 H THR 7 H THR 7 7.563 5.409 -5.582 60 HA THR 7 HA THR 7 8.556 7.418 -7.446 61 HB THR 7 HB THR 7 9.794 7.079 -5.354 62 HG1 THR 7 HG1 THR 7 10.811 7.427 -7.615 63 HG21 THR 7 HG21 THR 7 10.423 5.075 -4.562 64 HG22 THR 7 HG22 THR 7 11.004 4.536 -6.137 65 HG23 THR 7 HG23 THR 7 9.292 4.405 -5.736 66 H GLU 8 H GLU 8 8.036 3.972 -7.229 67 HA GLU 8 HA GLU 8 9.628 3.222 -9.454 68 HB2 GLU 8 HB2 GLU 8 7.784 1.939 -7.617 69 HB3 GLU 8 HB3 GLU 8 7.567 1.350 -9.260 70 HG2 GLU 8 HG2 GLU 8 10.326 1.408 -8.862 71 HG3 GLU 8 HG3 GLU 8 9.648 0.772 -7.364 72 H TYR 9 H TYR 9 6.526 4.670 -9.154 73 HA TYR 9 HA TYR 9 5.595 3.876 -11.769 74 HB2 TYR 9 HB2 TYR 9 4.222 4.525 -9.607 75 HB3 TYR 9 HB3 TYR 9 4.381 6.152 -10.260 76 HD1 TYR 9 HD2 TYR 9 3.854 6.226 -12.920 77 HD2 TYR 9 HD1 TYR 9 2.291 3.401 -10.149 78 HE1 TYR 9 HE2 TYR 9 1.951 5.812 -14.423 79 HE2 TYR 9 HE1 TYR 9 0.385 2.979 -11.644 80 HH TYR 9 HH TYR 9 -0.032 3.207 -14.204 81 H TYR 10 H TYR 10 7.007 6.741 -10.273 82 HA TYR 10 HA TYR 10 6.672 8.572 -12.331 83 HB2 TYR 10 HB2 TYR 10 8.937 8.276 -10.352 84 HB3 TYR 10 HB3 TYR 10 8.739 9.669 -11.410 85 HD1 TYR 10 HD1 TYR 10 5.752 9.944 -11.270 86 HD2 TYR 10 HD2 TYR 10 8.649 9.251 -8.232 87 HE1 TYR 10 HE1 TYR 10 4.260 10.990 -9.618 88 HE2 TYR 10 HE2 TYR 10 7.164 10.293 -6.571 89 HH TYR 10 HH TYR 10 4.179 11.880 -7.514 90 H ASP 11 H ASP 11 8.973 5.959 -11.995 91 HA ASP 11 HA ASP 11 10.880 6.652 -13.876 92 HB2 ASP 11 HB2 ASP 11 9.910 4.148 -12.673 93 HB3 ASP 11 HB3 ASP 11 10.668 3.950 -14.251 94 H VAL 12 H VAL 12 7.673 5.286 -14.349 95 HA VAL 12 HA VAL 12 8.052 4.933 -17.191 96 HB VAL 12 HB VAL 12 5.520 4.766 -15.550 97 HG11 VAL 12 HG11 VAL 12 4.917 3.274 -17.610 98 HG12 VAL 12 HG12 VAL 12 4.738 5.027 -17.700 99 HG13 VAL 12 HG13 VAL 12 6.145 4.245 -18.421 100 HG21 VAL 12 HG21 VAL 12 6.330 2.232 -16.454 101 HG22 VAL 12 HG22 VAL 12 7.766 2.996 -15.773 102 HG23 VAL 12 HG23 VAL 12 6.308 2.829 -14.795 103 H MET 13 H MET 13 6.690 7.323 -15.038 104 HA MET 13 HA MET 13 5.696 8.869 -17.326 105 HB2 MET 13 HB2 MET 13 4.237 8.399 -15.287 106 HB3 MET 13 HB3 MET 13 5.278 9.512 -14.410 107 HG2 MET 13 HG2 MET 13 4.711 11.131 -16.378 108 HG3 MET 13 HG3 MET 13 3.329 10.060 -16.592 109 HE1 MET 13 HE1 MET 13 4.459 11.179 -12.544 110 HE2 MET 13 HE2 MET 13 5.487 11.437 -13.954 111 HE3 MET 13 HE3 MET 13 4.548 12.775 -13.290 112 H THR 14 H THR 14 8.519 8.617 -16.799 113 HA THR 14 HA THR 14 9.352 11.134 -15.626 114 HB THR 14 HB THR 14 10.646 8.950 -15.399 115 HG1 THR 14 HG1 THR 14 12.316 10.939 -16.485 116 HG21 THR 14 HG21 THR 14 11.817 9.658 -18.069 117 HG22 THR 14 HG22 THR 14 10.451 8.548 -17.946 118 HG23 THR 14 HG23 THR 14 11.976 8.164 -17.147 119 H VAL 15 H VAL 15 8.155 10.234 -18.567 120 HA VAL 15 HA VAL 15 9.862 11.989 -20.155 121 HB VAL 15 HB VAL 15 7.453 10.412 -21.065 122 HG11 VAL 15 HG11 VAL 15 9.555 12.024 -22.435 123 HG12 VAL 15 HG12 VAL 15 8.869 10.622 -23.260 124 HG13 VAL 15 HG13 VAL 15 7.820 11.942 -22.740 125 HG21 VAL 15 HG21 VAL 15 10.311 9.637 -20.709 126 HG22 VAL 15 HG22 VAL 15 8.846 8.708 -20.392 127 HG23 VAL 15 HG23 VAL 15 9.393 8.953 -22.050 128 H ILE 16 H ILE 16 7.447 12.511 -18.088 129 HA ILE 16 HA ILE 16 6.574 14.909 -19.512 130 HB ILE 16 HB ILE 16 4.548 13.204 -18.084 131 HG12 ILE 16 HG12 ILE 16 5.174 13.247 -21.044 132 HG13 ILE 16 HG13 ILE 16 5.432 11.890 -19.953 133 HG21 ILE 16 HG21 ILE 16 4.537 15.822 -19.105 134 HG22 ILE 16 HG22 ILE 16 3.546 14.856 -20.196 135 HG23 ILE 16 HG23 ILE 16 3.172 14.901 -18.474 136 HD11 ILE 16 HD11 ILE 16 3.465 11.356 -21.054 137 HD12 ILE 16 HD12 ILE 16 2.906 12.031 -19.523 138 HD13 ILE 16 HD13 ILE 16 2.863 13.011 -20.988 139 H SER 17 H SER 17 7.947 13.642 -16.879 140 HA SER 17 HA SER 17 6.677 15.450 -14.954 141 HB2 SER 17 HB2 SER 17 8.069 12.889 -14.766 142 HB3 SER 17 HB3 SER 17 8.652 14.065 -13.589 143 HG SER 17 HG SER 17 6.154 14.362 -13.385 144 HA PRO 18 HA PRO 18 11.267 16.789 -14.523 145 HB2 PRO 18 HB2 PRO 18 13.135 15.493 -16.006 146 HB3 PRO 18 HB3 PRO 18 12.629 14.943 -14.404 147 HG2 PRO 18 HG2 PRO 18 11.766 13.970 -17.100 148 HG3 PRO 18 HG3 PRO 18 12.173 13.034 -15.650 149 HD2 PRO 18 HD2 PRO 18 9.617 13.536 -16.391 150 HD3 PRO 18 HD3 PRO 18 10.106 13.384 -14.691 151 HA PRO 19 HA PRO 19 11.663 17.606 -19.328 152 HB2 PRO 19 HB2 PRO 19 9.441 16.912 -20.725 153 HB3 PRO 19 HB3 PRO 19 10.817 15.824 -20.506 154 HG2 PRO 19 HG2 PRO 19 8.217 15.911 -19.025 155 HG3 PRO 19 HG3 PRO 19 9.114 14.506 -19.629 156 HD2 PRO 19 HD2 PRO 19 9.190 15.278 -17.034 157 HD3 PRO 19 HD3 PRO 19 10.572 14.512 -17.843 158 H GLU 20 H GLU 20 8.914 17.983 -17.283 159 HA GLU 20 HA GLU 20 7.818 20.238 -18.717 160 HB2 GLU 20 HB2 GLU 20 6.208 18.945 -17.574 161 HB3 GLU 20 HB3 GLU 20 7.165 18.906 -16.100 162 HG2 GLU 20 HG2 GLU 20 6.736 21.256 -15.720 163 HG3 GLU 20 HG3 GLU 20 5.850 21.361 -17.240 164 H PHE 21 H PHE 21 10.189 19.696 -16.295 165 HA PHE 21 HA PHE 21 10.114 22.092 -14.869 166 HB2 PHE 21 HB2 PHE 21 11.803 19.849 -15.009 167 HB3 PHE 21 HB3 PHE 21 12.837 21.242 -15.312 168 HD1 PHE 21 HD1 PHE 21 10.048 20.314 -13.007 169 HD2 PHE 21 HD2 PHE 21 13.860 22.148 -13.479 170 HE1 PHE 21 HE1 PHE 21 10.120 20.777 -10.592 171 HE2 PHE 21 HE2 PHE 21 13.938 22.613 -11.065 172 HZ PHE 21 HZ PHE 21 12.068 21.927 -9.617 173 H GLY 22 H GLY 22 11.476 21.334 -18.014 174 HA2 GLY 22 HA2 GLY 22 12.409 22.659 -19.641 175 HA3 GLY 22 HA3 GLY 22 11.368 23.922 -19.003 Start of MODEL 31 1 H1 TRP 1 H TRP 1 2.231 0.129 4.320 2 HA TRP 1 HA TRP 1 3.320 -1.198 2.830 3 HB2 TRP 1 HB2 TRP 1 0.575 -2.443 2.568 4 HB3 TRP 1 HB3 TRP 1 2.059 -3.144 1.928 5 HD1 TRP 1 HD1 TRP 1 3.482 -2.002 4.874 6 HE1 TRP 1 HE1 TRP 1 3.296 -3.649 6.843 7 HE3 TRP 1 HE3 TRP 1 -0.268 -4.983 3.087 8 HZ2 TRP 1 HZ2 TRP 1 1.764 -5.913 7.545 9 HZ3 TRP 1 HZ3 TRP 1 -1.035 -6.869 4.469 10 HH2 TRP 1 HH2 TRP 1 -0.039 -7.323 6.652 11 H ARG 2 H ARG 2 3.952 -1.092 0.727 12 HA ARG 2 HA ARG 2 2.051 -0.100 -1.266 13 HB2 ARG 2 HB2 ARG 2 3.969 1.424 -2.087 14 HB3 ARG 2 HB3 ARG 2 3.020 1.945 -0.701 15 HG2 ARG 2 HG2 ARG 2 4.744 1.685 0.758 16 HG3 ARG 2 HG3 ARG 2 5.480 0.378 -0.173 17 HD2 ARG 2 HD2 ARG 2 6.482 1.853 -1.677 18 HD3 ARG 2 HD3 ARG 2 5.404 3.177 -1.238 19 HE ARG 2 HE ARG 2 6.742 2.731 1.054 20 HH11 ARG 2 HH11 ARG 2 7.789 3.197 -2.234 21 HH12 ARG 2 HH12 ARG 2 9.297 3.925 -1.788 22 HH21 ARG 2 HH21 ARG 2 8.723 3.689 1.653 23 HH22 ARG 2 HH22 ARG 2 9.827 4.204 0.423 24 HA PRO 3 HA PRO 3 3.966 -2.958 -3.989 25 HB2 PRO 3 HB2 PRO 3 3.797 -1.662 -6.369 26 HB3 PRO 3 HB3 PRO 3 2.393 -2.360 -5.553 27 HG2 PRO 3 HG2 PRO 3 3.335 0.481 -5.606 28 HG3 PRO 3 HG3 PRO 3 1.686 -0.154 -5.761 29 HD2 PRO 3 HD2 PRO 3 2.638 0.881 -3.446 30 HD3 PRO 3 HD3 PRO 3 1.447 -0.434 -3.485 31 H TYR 4 H TYR 4 5.536 -2.803 -6.088 32 HA TYR 4 HA TYR 4 7.853 -1.189 -5.242 33 HB2 TYR 4 HB2 TYR 4 7.969 -3.896 -6.580 34 HB3 TYR 4 HB3 TYR 4 9.319 -2.976 -5.926 35 HD1 TYR 4 HD1 TYR 4 8.888 -2.292 -3.325 36 HD2 TYR 4 HD2 TYR 4 7.283 -5.691 -5.319 37 HE1 TYR 4 HE1 TYR 4 8.617 -3.427 -1.159 38 HE2 TYR 4 HE2 TYR 4 7.007 -6.835 -3.159 39 HH TYR 4 HH TYR 4 8.499 -5.924 -0.393 40 H LEU 5 H LEU 5 5.565 -1.190 -7.443 41 HA LEU 5 HA LEU 5 7.303 -0.750 -9.765 42 HB2 LEU 5 HB2 LEU 5 4.855 -0.475 -10.792 43 HB3 LEU 5 HB3 LEU 5 5.661 -2.033 -10.620 44 HG LEU 5 HG LEU 5 3.899 -1.068 -8.415 45 HD11 LEU 5 HD11 LEU 5 1.930 -1.525 -9.457 46 HD12 LEU 5 HD12 LEU 5 2.663 -2.656 -10.594 47 HD13 LEU 5 HD13 LEU 5 2.842 -0.919 -10.840 48 HD21 LEU 5 HD21 LEU 5 3.944 -3.845 -9.443 49 HD22 LEU 5 HD22 LEU 5 3.864 -3.249 -7.785 50 HD23 LEU 5 HD23 LEU 5 5.403 -3.255 -8.647 51 H GLN 6 H GLN 6 5.847 0.953 -7.301 52 HA GLN 6 HA GLN 6 4.755 3.214 -8.425 53 HB2 GLN 6 HB2 GLN 6 5.667 2.434 -5.871 54 HB3 GLN 6 HB3 GLN 6 6.422 3.985 -6.213 55 HG2 GLN 6 HG2 GLN 6 4.471 5.112 -6.127 56 HG3 GLN 6 HG3 GLN 6 3.543 3.779 -6.810 57 HE21 GLN 6 HE21 GLN 6 2.907 5.442 -4.534 58 HE22 GLN 6 HE22 GLN 6 2.754 4.385 -3.177 59 H THR 7 H THR 7 8.173 2.484 -7.875 60 HA THR 7 HA THR 7 9.070 5.017 -8.890 61 HB THR 7 HB THR 7 10.427 3.862 -7.237 62 HG1 THR 7 HG1 THR 7 11.339 5.031 -9.269 63 HG21 THR 7 HG21 THR 7 11.057 1.702 -7.348 64 HG22 THR 7 HG22 THR 7 11.429 1.798 -9.070 65 HG23 THR 7 HG23 THR 7 9.764 1.562 -8.538 66 H GLU 8 H GLU 8 8.477 1.839 -10.194 67 HA GLU 8 HA GLU 8 9.991 2.012 -12.548 68 HB2 GLU 8 HB2 GLU 8 8.041 0.244 -11.429 69 HB3 GLU 8 HB3 GLU 8 7.611 0.567 -13.103 70 HG2 GLU 8 HG2 GLU 8 8.993 -1.158 -13.493 71 HG3 GLU 8 HG3 GLU 8 10.229 0.095 -13.405 72 H TYR 9 H TYR 9 6.737 3.123 -11.775 73 HA TYR 9 HA TYR 9 5.999 3.849 -14.408 74 HB2 TYR 9 HB2 TYR 9 4.616 3.622 -12.134 75 HB3 TYR 9 HB3 TYR 9 4.884 5.361 -12.100 76 HD1 TYR 9 HD2 TYR 9 4.422 6.507 -14.510 77 HD2 TYR 9 HD1 TYR 9 2.648 2.910 -13.088 78 HE1 TYR 9 HE2 TYR 9 2.539 6.830 -16.058 79 HE2 TYR 9 HE1 TYR 9 0.761 3.223 -14.633 80 HH TYR 9 HH TYR 9 0.089 6.087 -16.158 81 H TYR 10 H TYR 10 7.610 5.571 -11.792 82 HA TYR 10 HA TYR 10 7.567 8.121 -13.057 83 HB2 TYR 10 HB2 TYR 10 9.446 7.114 -10.911 84 HB3 TYR 10 HB3 TYR 10 9.140 8.797 -11.326 85 HD1 TYR 10 HD2 TYR 10 6.176 8.740 -11.605 86 HD2 TYR 10 HD1 TYR 10 8.723 6.975 -8.689 87 HE1 TYR 10 HE2 TYR 10 4.343 8.813 -9.967 88 HE2 TYR 10 HE1 TYR 10 6.897 7.043 -7.043 89 HH TYR 10 HH TYR 10 4.053 8.828 -7.527 90 H ASP 11 H ASP 11 9.666 5.353 -13.212 91 HA ASP 11 HA ASP 11 11.939 6.633 -14.314 92 HB2 ASP 11 HB2 ASP 11 11.275 4.043 -13.501 93 HB3 ASP 11 HB3 ASP 11 11.610 3.898 -15.225 94 H VAL 12 H VAL 12 9.174 4.966 -15.788 95 HA VAL 12 HA VAL 12 10.098 5.523 -18.465 96 HB VAL 12 HB VAL 12 7.440 4.430 -17.530 97 HG11 VAL 12 HG11 VAL 12 7.284 3.604 -19.880 98 HG12 VAL 12 HG12 VAL 12 7.198 5.359 -19.721 99 HG13 VAL 12 HG13 VAL 12 8.691 4.594 -20.266 100 HG21 VAL 12 HG21 VAL 12 8.457 2.266 -18.406 101 HG22 VAL 12 HG22 VAL 12 10.009 3.102 -18.350 102 HG23 VAL 12 HG23 VAL 12 9.077 2.873 -16.870 103 H MET 13 H MET 13 8.012 6.999 -16.126 104 HA MET 13 HA MET 13 6.954 8.852 -18.140 105 HB2 MET 13 HB2 MET 13 5.427 7.652 -16.486 106 HB3 MET 13 HB3 MET 13 6.125 8.686 -15.246 107 HG2 MET 13 HG2 MET 13 5.435 10.606 -16.874 108 HG3 MET 13 HG3 MET 13 4.331 9.391 -17.515 109 HE1 MET 13 HE1 MET 13 4.631 11.397 -13.559 110 HE2 MET 13 HE2 MET 13 4.798 9.678 -13.201 111 HE3 MET 13 HE3 MET 13 5.887 10.449 -14.356 112 H THR 14 H THR 14 9.702 8.983 -17.278 113 HA THR 14 HA THR 14 9.878 11.248 -15.477 114 HB THR 14 HB THR 14 11.565 9.339 -15.547 115 HG1 THR 14 HG1 THR 14 12.877 11.805 -15.921 116 HG21 THR 14 HG21 THR 14 12.710 10.881 -17.869 117 HG22 THR 14 HG22 THR 14 11.745 9.419 -18.074 118 HG23 THR 14 HG23 THR 14 13.272 9.352 -17.194 119 H VAL 15 H VAL 15 9.190 10.890 -18.685 120 HA VAL 15 HA VAL 15 10.647 13.250 -19.588 121 HB VAL 15 HB VAL 15 8.717 11.541 -21.159 122 HG11 VAL 15 HG11 VAL 15 10.269 12.523 -23.027 123 HG12 VAL 15 HG12 VAL 15 8.925 13.472 -22.388 124 HG13 VAL 15 HG13 VAL 15 10.569 13.780 -21.827 125 HG21 VAL 15 HG21 VAL 15 10.949 10.681 -22.150 126 HG22 VAL 15 HG22 VAL 15 11.651 11.249 -20.636 127 HG23 VAL 15 HG23 VAL 15 10.385 10.021 -20.615 128 H ILE 16 H ILE 16 7.984 12.820 -17.828 129 HA ILE 16 HA ILE 16 6.782 15.299 -18.804 130 HB ILE 16 HB ILE 16 5.019 12.968 -18.092 131 HG12 ILE 16 HG12 ILE 16 5.913 13.838 -20.849 132 HG13 ILE 16 HG13 ILE 16 6.335 12.325 -20.055 133 HG21 ILE 16 HG21 ILE 16 3.362 14.429 -18.311 134 HG22 ILE 16 HG22 ILE 16 4.565 15.705 -18.487 135 HG23 ILE 16 HG23 ILE 16 3.925 14.893 -19.916 136 HD11 ILE 16 HD11 ILE 16 3.619 13.192 -21.004 137 HD12 ILE 16 HD12 ILE 16 4.618 11.883 -21.637 138 HD13 ILE 16 HD13 ILE 16 3.912 11.754 -20.027 139 H SER 17 H SER 17 8.119 13.695 -16.342 140 HA SER 17 HA SER 17 6.318 14.727 -14.272 141 HB2 SER 17 HB2 SER 17 8.181 12.485 -14.450 142 HB3 SER 17 HB3 SER 17 8.391 13.425 -12.973 143 HG SER 17 HG SER 17 5.877 13.217 -13.072 144 HA PRO 18 HA PRO 18 10.469 16.712 -12.900 145 HB2 PRO 18 HB2 PRO 18 12.702 16.164 -14.343 146 HB3 PRO 18 HB3 PRO 18 12.163 15.163 -12.990 147 HG2 PRO 18 HG2 PRO 18 11.792 14.735 -15.930 148 HG3 PRO 18 HG3 PRO 18 12.236 13.562 -14.676 149 HD2 PRO 18 HD2 PRO 18 9.718 13.769 -15.652 150 HD3 PRO 18 HD3 PRO 18 10.056 13.299 -13.973 151 HA PRO 19 HA PRO 19 11.164 18.725 -17.302 152 HB2 PRO 19 HB2 PRO 19 9.281 18.011 -19.122 153 HB3 PRO 19 HB3 PRO 19 10.822 17.162 -18.950 154 HG2 PRO 19 HG2 PRO 19 8.125 16.428 -17.876 155 HG3 PRO 19 HG3 PRO 19 9.347 15.392 -18.636 156 HD2 PRO 19 HD2 PRO 19 9.006 15.513 -15.953 157 HD3 PRO 19 HD3 PRO 19 10.588 15.221 -16.702 158 H GLU 20 H GLU 20 8.213 18.109 -15.635 159 HA GLU 20 HA GLU 20 6.813 20.403 -16.689 160 HB2 GLU 20 HB2 GLU 20 6.154 18.094 -15.115 161 HB3 GLU 20 HB3 GLU 20 5.603 19.542 -14.283 162 HG2 GLU 20 HG2 GLU 20 4.729 20.095 -16.752 163 HG3 GLU 20 HG3 GLU 20 4.678 18.334 -16.808 164 H PHE 21 H PHE 21 9.061 19.781 -14.188 165 HA PHE 21 HA PHE 21 8.361 21.717 -12.295 166 HB2 PHE 21 HB2 PHE 21 10.473 19.911 -12.677 167 HB3 PHE 21 HB3 PHE 21 11.231 21.497 -12.579 168 HD1 PHE 21 HD1 PHE 21 9.551 22.908 -10.673 169 HD2 PHE 21 HD2 PHE 21 10.880 18.864 -10.663 170 HE1 PHE 21 HE1 PHE 21 9.352 22.852 -8.221 171 HE2 PHE 21 HE2 PHE 21 10.683 18.802 -8.211 172 HZ PHE 21 HZ PHE 21 9.917 20.797 -6.987 173 H GLY 22 H GLY 22 9.815 22.012 -15.425 174 HA2 GLY 22 HA2 GLY 22 11.186 24.405 -15.256 175 HA3 GLY 22 HA3 GLY 22 10.320 23.864 -16.686 Start of MODEL 32 1 H1 TRP 1 H TRP 1 0.222 -5.901 -3.728 2 HA TRP 1 HA TRP 1 0.285 -3.138 -3.492 3 HB2 TRP 1 HB2 TRP 1 -1.020 -3.784 -1.356 4 HB3 TRP 1 HB3 TRP 1 0.533 -4.351 -0.749 5 HD1 TRP 1 HD1 TRP 1 1.827 -1.657 -2.507 6 HE1 TRP 1 HE1 TRP 1 1.869 0.547 -1.178 7 HE3 TRP 1 HE3 TRP 1 -1.530 -2.856 1.158 8 HZ2 TRP 1 HZ2 TRP 1 0.642 1.633 1.121 9 HZ3 TRP 1 HZ3 TRP 1 -2.040 -1.179 2.884 10 HH2 TRP 1 HH2 TRP 1 -0.975 1.018 2.865 11 H ARG 2 H ARG 2 2.113 -3.586 -4.764 12 HA ARG 2 HA ARG 2 4.238 -5.249 -4.076 13 HB2 ARG 2 HB2 ARG 2 3.763 -3.079 -5.980 14 HB3 ARG 2 HB3 ARG 2 5.439 -3.188 -5.459 15 HG2 ARG 2 HG2 ARG 2 5.778 -5.176 -6.492 16 HG3 ARG 2 HG3 ARG 2 4.114 -5.710 -6.252 17 HD2 ARG 2 HD2 ARG 2 3.601 -5.093 -8.321 18 HD3 ARG 2 HD3 ARG 2 4.093 -3.438 -7.963 19 HE ARG 2 HE ARG 2 6.442 -4.674 -8.449 20 HH11 ARG 2 HH11 ARG 2 3.437 -4.510 -10.199 21 HH12 ARG 2 HH12 ARG 2 4.185 -4.660 -11.755 22 HH21 ARG 2 HH21 ARG 2 7.438 -4.872 -10.491 23 HH22 ARG 2 HH22 ARG 2 6.460 -4.867 -11.920 24 HA PRO 3 HA PRO 3 6.507 -3.238 -0.906 25 HB2 PRO 3 HB2 PRO 3 9.079 -3.654 -1.667 26 HB3 PRO 3 HB3 PRO 3 8.040 -4.943 -1.049 27 HG2 PRO 3 HG2 PRO 3 8.730 -4.260 -3.881 28 HG3 PRO 3 HG3 PRO 3 8.634 -5.852 -3.106 29 HD2 PRO 3 HD2 PRO 3 6.650 -4.869 -4.664 30 HD3 PRO 3 HD3 PRO 3 6.338 -5.939 -3.282 31 H TYR 4 H TYR 4 6.957 -2.225 -4.186 32 HA TYR 4 HA TYR 4 7.379 0.496 -3.354 33 HB2 TYR 4 HB2 TYR 4 9.600 -1.135 -4.509 34 HB3 TYR 4 HB3 TYR 4 9.467 0.557 -4.976 35 HD1 TYR 4 HD1 TYR 4 9.044 2.177 -2.858 36 HD2 TYR 4 HD2 TYR 4 10.984 -1.607 -2.732 37 HE1 TYR 4 HE1 TYR 4 10.195 2.843 -0.789 38 HE2 TYR 4 HE2 TYR 4 12.140 -0.952 -0.662 39 HH TYR 4 HH TYR 4 12.655 0.799 0.683 40 H LEU 5 H LEU 5 6.280 1.749 -4.704 41 HA LEU 5 HA LEU 5 6.185 1.121 -7.547 42 HB2 LEU 5 HB2 LEU 5 3.597 1.760 -7.214 43 HB3 LEU 5 HB3 LEU 5 4.202 0.106 -7.266 44 HG LEU 5 HG LEU 5 4.075 1.412 -4.607 45 HD11 LEU 5 HD11 LEU 5 1.554 0.170 -5.477 46 HD12 LEU 5 HD12 LEU 5 1.896 1.761 -6.156 47 HD13 LEU 5 HD13 LEU 5 1.839 1.544 -4.407 48 HD21 LEU 5 HD21 LEU 5 3.886 -0.732 -3.838 49 HD22 LEU 5 HD22 LEU 5 4.776 -1.022 -5.333 50 HD23 LEU 5 HD23 LEU 5 3.033 -1.293 -5.276 51 H GLN 6 H GLN 6 5.264 3.313 -4.930 52 HA GLN 6 HA GLN 6 4.521 5.548 -6.350 53 HB2 GLN 6 HB2 GLN 6 4.895 5.022 -3.729 54 HB3 GLN 6 HB3 GLN 6 6.290 6.048 -4.031 55 HG2 GLN 6 HG2 GLN 6 4.720 7.739 -5.002 56 HG3 GLN 6 HG3 GLN 6 3.391 6.734 -4.426 57 HE21 GLN 6 HE21 GLN 6 4.109 9.454 -3.690 58 HE22 GLN 6 HE22 GLN 6 4.364 9.441 -1.981 59 H THR 7 H THR 7 7.793 4.471 -5.540 60 HA THR 7 HA THR 7 8.954 6.700 -7.014 61 HB THR 7 HB THR 7 9.997 6.064 -4.888 62 HG1 THR 7 HG1 THR 7 11.287 6.887 -6.674 63 HG21 THR 7 HG21 THR 7 9.505 3.480 -5.635 64 HG22 THR 7 HG22 THR 7 10.582 3.966 -4.325 65 HG23 THR 7 HG23 THR 7 11.239 3.619 -5.924 66 H GLU 8 H GLU 8 8.410 3.265 -7.325 67 HA GLU 8 HA GLU 8 10.199 2.806 -9.478 68 HB2 GLU 8 HB2 GLU 8 8.192 1.309 -8.012 69 HB3 GLU 8 HB3 GLU 8 8.127 0.954 -9.732 70 HG2 GLU 8 HG2 GLU 8 10.584 0.507 -9.648 71 HG3 GLU 8 HG3 GLU 8 10.488 0.660 -7.894 72 H TYR 9 H TYR 9 7.091 4.251 -9.264 73 HA TYR 9 HA TYR 9 6.403 3.835 -12.038 74 HB2 TYR 9 HB2 TYR 9 4.837 4.198 -9.937 75 HB3 TYR 9 HB3 TYR 9 5.051 5.896 -10.348 76 HD1 TYR 9 HD1 TYR 9 4.765 6.335 -13.009 77 HD2 TYR 9 HD2 TYR 9 2.968 3.174 -10.800 78 HE1 TYR 9 HE1 TYR 9 3.009 6.146 -14.721 79 HE2 TYR 9 HE2 TYR 9 1.208 2.975 -12.506 80 HH TYR 9 HH TYR 9 0.511 5.255 -14.703 81 H TYR 10 H TYR 10 7.681 6.439 -10.034 82 HA TYR 10 HA TYR 10 7.534 8.545 -11.839 83 HB2 TYR 10 HB2 TYR 10 9.604 7.953 -9.719 84 HB3 TYR 10 HB3 TYR 10 9.499 9.482 -10.584 85 HD1 TYR 10 HD2 TYR 10 6.508 9.755 -10.682 86 HD2 TYR 10 HD1 TYR 10 9.118 8.625 -7.518 87 HE1 TYR 10 HE2 TYR 10 4.866 10.572 -9.043 88 HE2 TYR 10 HE1 TYR 10 7.483 9.438 -5.870 89 HH TYR 10 HH TYR 10 5.618 10.829 -5.659 90 H ASP 11 H ASP 11 9.785 5.877 -11.662 91 HA ASP 11 HA ASP 11 11.762 6.916 -13.394 92 HB2 ASP 11 HB2 ASP 11 12.258 5.027 -11.963 93 HB3 ASP 11 HB3 ASP 11 11.009 4.060 -12.744 94 H VAL 12 H VAL 12 8.924 4.868 -13.972 95 HA VAL 12 HA VAL 12 9.399 4.685 -16.795 96 HB VAL 12 HB VAL 12 6.896 4.049 -15.227 97 HG11 VAL 12 HG11 VAL 12 6.158 4.212 -17.412 98 HG12 VAL 12 HG12 VAL 12 7.687 3.640 -18.081 99 HG13 VAL 12 HG13 VAL 12 6.588 2.506 -17.294 100 HG21 VAL 12 HG21 VAL 12 7.836 1.654 -15.787 101 HG22 VAL 12 HG22 VAL 12 9.376 2.513 -15.829 102 HG23 VAL 12 HG23 VAL 12 8.391 2.539 -14.366 103 H MET 13 H MET 13 7.613 6.801 -14.678 104 HA MET 13 HA MET 13 6.389 8.143 -16.984 105 HB2 MET 13 HB2 MET 13 5.005 7.428 -14.964 106 HB3 MET 13 HB3 MET 13 5.826 8.705 -14.076 107 HG2 MET 13 HG2 MET 13 5.013 10.198 -16.060 108 HG3 MET 13 HG3 MET 13 3.838 8.904 -16.281 109 HE1 MET 13 HE1 MET 13 4.717 10.223 -12.229 110 HE2 MET 13 HE2 MET 13 5.701 10.642 -13.631 111 HE3 MET 13 HE3 MET 13 4.539 11.805 -12.990 112 H THR 14 H THR 14 9.202 8.392 -16.435 113 HA THR 14 HA THR 14 9.568 11.017 -15.255 114 HB THR 14 HB THR 14 11.221 9.095 -15.000 115 HG1 THR 14 HG1 THR 14 11.639 11.446 -14.682 116 HG21 THR 14 HG21 THR 14 11.148 8.599 -17.510 117 HG22 THR 14 HG22 THR 14 12.732 8.596 -16.733 118 HG23 THR 14 HG23 THR 14 12.221 9.985 -17.693 119 H VAL 15 H VAL 15 8.584 9.917 -18.207 120 HA VAL 15 HA VAL 15 9.979 11.940 -19.780 121 HB VAL 15 HB VAL 15 7.898 9.963 -20.716 122 HG11 VAL 15 HG11 VAL 15 8.017 11.538 -22.389 123 HG12 VAL 15 HG12 VAL 15 9.713 11.908 -22.069 124 HG13 VAL 15 HG13 VAL 15 9.276 10.411 -22.894 125 HG21 VAL 15 HG21 VAL 15 9.458 8.419 -20.255 126 HG22 VAL 15 HG22 VAL 15 10.283 9.056 -21.678 127 HG23 VAL 15 HG23 VAL 15 10.734 9.622 -20.070 128 H ILE 16 H ILE 16 7.468 12.017 -17.755 129 HA ILE 16 HA ILE 16 6.208 14.224 -19.201 130 HB ILE 16 HB ILE 16 4.502 12.194 -17.780 131 HG12 ILE 16 HG12 ILE 16 3.899 11.699 -20.333 132 HG13 ILE 16 HG13 ILE 16 5.579 12.173 -20.558 133 HG21 ILE 16 HG21 ILE 16 2.978 13.788 -18.061 134 HG22 ILE 16 HG22 ILE 16 4.072 14.743 -19.061 135 HG23 ILE 16 HG23 ILE 16 3.080 13.483 -19.795 136 HD11 ILE 16 HD11 ILE 16 5.919 10.452 -18.567 137 HD12 ILE 16 HD12 ILE 16 4.438 9.782 -19.252 138 HD13 ILE 16 HD13 ILE 16 5.876 9.954 -20.258 139 H SER 17 H SER 17 7.761 13.244 -16.549 140 HA SER 17 HA SER 17 6.166 14.802 -14.647 141 HB2 SER 17 HB2 SER 17 7.999 12.538 -14.430 142 HB3 SER 17 HB3 SER 17 8.348 13.808 -13.257 143 HG SER 17 HG SER 17 5.837 13.647 -13.071 144 HA PRO 18 HA PRO 18 10.433 16.956 -14.192 145 HB2 PRO 18 HB2 PRO 18 12.518 16.011 -15.650 146 HB3 PRO 18 HB3 PRO 18 12.106 15.389 -14.048 147 HG2 PRO 18 HG2 PRO 18 11.459 14.259 -16.744 148 HG3 PRO 18 HG3 PRO 18 12.016 13.421 -15.283 149 HD2 PRO 18 HD2 PRO 18 9.418 13.445 -16.047 150 HD3 PRO 18 HD3 PRO 18 9.912 13.396 -14.343 151 HA PRO 19 HA PRO 19 10.718 17.802 -19.000 152 HB2 PRO 19 HB2 PRO 19 8.672 16.706 -20.409 153 HB3 PRO 19 HB3 PRO 19 10.221 15.888 -20.171 154 HG2 PRO 19 HG2 PRO 19 7.635 15.509 -18.711 155 HG3 PRO 19 HG3 PRO 19 8.779 14.287 -19.297 156 HD2 PRO 19 HD2 PRO 19 8.689 15.076 -16.708 157 HD3 PRO 19 HD3 PRO 19 10.195 14.569 -17.500 158 H GLU 20 H GLU 20 7.927 17.684 -16.980 159 HA GLU 20 HA GLU 20 6.453 19.693 -18.440 160 HB2 GLU 20 HB2 GLU 20 5.094 18.134 -17.301 161 HB3 GLU 20 HB3 GLU 20 6.027 18.279 -15.819 162 HG2 GLU 20 HG2 GLU 20 3.852 19.364 -15.637 163 HG3 GLU 20 HG3 GLU 20 5.174 20.515 -15.462 164 H PHE 21 H PHE 21 8.859 19.606 -15.995 165 HA PHE 21 HA PHE 21 8.335 21.957 -14.586 166 HB2 PHE 21 HB2 PHE 21 10.406 20.058 -14.698 167 HB3 PHE 21 HB3 PHE 21 11.171 21.615 -14.999 168 HD1 PHE 21 HD1 PHE 21 8.606 20.165 -12.706 169 HD2 PHE 21 HD2 PHE 21 11.963 22.740 -13.172 170 HE1 PHE 21 HE1 PHE 21 8.568 20.644 -10.293 171 HE2 PHE 21 HE2 PHE 21 11.931 23.223 -10.759 172 HZ PHE 21 HZ PHE 21 10.233 22.174 -9.316 173 H GLY 22 H GLY 22 9.830 21.442 -17.718 174 HA2 GLY 22 HA2 GLY 22 10.545 22.906 -19.338 175 HA3 GLY 22 HA3 GLY 22 9.261 23.947 -18.740 Start of MODEL 33 1 H1 TRP 1 H TRP 1 6.512 -2.973 4.256 2 HA TRP 1 HA TRP 1 5.895 -3.469 2.102 3 HB2 TRP 1 HB2 TRP 1 3.779 -3.513 3.548 4 HB3 TRP 1 HB3 TRP 1 3.376 -1.969 2.801 5 HD1 TRP 1 HD1 TRP 1 4.806 -3.345 -0.040 6 HE1 TRP 1 HE1 TRP 1 3.175 -4.717 -1.484 7 HE3 TRP 1 HE3 TRP 1 1.128 -4.138 3.421 8 HZ2 TRP 1 HZ2 TRP 1 0.661 -5.968 -1.193 9 HZ3 TRP 1 HZ3 TRP 1 -0.857 -5.432 2.758 10 HH2 TRP 1 HH2 TRP 1 -1.084 -6.327 0.498 11 H ARG 2 H ARG 2 7.441 -2.054 1.092 12 HA ARG 2 HA ARG 2 6.559 0.573 0.254 13 HB2 ARG 2 HB2 ARG 2 9.084 -0.940 0.249 14 HB3 ARG 2 HB3 ARG 2 8.856 0.110 -1.143 15 HG2 ARG 2 HG2 ARG 2 9.844 1.605 0.226 16 HG3 ARG 2 HG3 ARG 2 8.185 1.827 0.783 17 HD2 ARG 2 HD2 ARG 2 8.633 0.114 2.546 18 HD3 ARG 2 HD3 ARG 2 10.324 0.122 2.045 19 HE ARG 2 HE ARG 2 9.541 2.755 2.593 20 HH11 ARG 2 HH11 ARG 2 10.091 -0.258 4.248 21 HH12 ARG 2 HH12 ARG 2 10.540 0.495 5.743 22 HH21 ARG 2 HH21 ARG 2 10.130 3.758 4.555 23 HH22 ARG 2 HH22 ARG 2 10.560 2.779 5.916 24 HA PRO 3 HA PRO 3 4.988 -0.425 -3.718 25 HB2 PRO 3 HB2 PRO 3 5.950 1.594 -5.257 26 HB3 PRO 3 HB3 PRO 3 4.673 1.826 -4.057 27 HG2 PRO 3 HG2 PRO 3 7.603 2.402 -3.841 28 HG3 PRO 3 HG3 PRO 3 6.227 3.382 -3.301 29 HD2 PRO 3 HD2 PRO 3 7.672 1.841 -1.607 30 HD3 PRO 3 HD3 PRO 3 5.938 2.144 -1.378 31 H TYR 4 H TYR 4 5.497 -1.239 -5.796 32 HA TYR 4 HA TYR 4 8.352 -1.701 -6.324 33 HB2 TYR 4 HB2 TYR 4 6.212 -3.808 -6.661 34 HB3 TYR 4 HB3 TYR 4 7.947 -4.010 -6.881 35 HD1 TYR 4 HD1 TYR 4 9.387 -3.398 -4.732 36 HD2 TYR 4 HD2 TYR 4 5.283 -4.518 -4.672 37 HE1 TYR 4 HE1 TYR 4 9.612 -4.072 -2.377 38 HE2 TYR 4 HE2 TYR 4 5.496 -5.195 -2.317 39 HH TYR 4 HH TYR 4 8.352 -4.507 -0.458 40 H LEU 5 H LEU 5 5.213 -2.488 -7.827 41 HA LEU 5 HA LEU 5 6.242 -1.910 -10.451 42 HB2 LEU 5 HB2 LEU 5 4.416 -2.970 -11.237 43 HB3 LEU 5 HB3 LEU 5 4.352 -3.587 -9.588 44 HG LEU 5 HG LEU 5 2.824 -1.438 -9.252 45 HD11 LEU 5 HD11 LEU 5 1.800 -0.602 -11.080 46 HD12 LEU 5 HD12 LEU 5 1.838 -2.140 -11.942 47 HD13 LEU 5 HD13 LEU 5 3.282 -1.129 -11.878 48 HD21 LEU 5 HD21 LEU 5 2.277 -3.854 -8.880 49 HD22 LEU 5 HD22 LEU 5 1.760 -3.933 -10.564 50 HD23 LEU 5 HD23 LEU 5 0.925 -2.866 -9.434 51 H GLN 6 H GLN 6 4.511 -0.202 -7.999 52 HA GLN 6 HA GLN 6 3.139 1.717 -9.446 53 HB2 GLN 6 HB2 GLN 6 4.561 1.920 -6.792 54 HB3 GLN 6 HB3 GLN 6 3.548 3.204 -7.438 55 HG2 GLN 6 HG2 GLN 6 1.627 2.091 -7.022 56 HG3 GLN 6 HG3 GLN 6 2.348 0.510 -7.318 57 HE21 GLN 6 HE21 GLN 6 1.798 3.023 -4.986 58 HE22 GLN 6 HE22 GLN 6 2.236 2.105 -3.589 59 H THR 7 H THR 7 6.470 1.946 -8.195 60 HA THR 7 HA THR 7 7.076 4.422 -9.360 61 HB THR 7 HB THR 7 8.448 3.416 -7.583 62 HG1 THR 7 HG1 THR 7 10.498 3.932 -8.595 63 HG21 THR 7 HG21 THR 7 8.385 1.138 -9.125 64 HG22 THR 7 HG22 THR 7 9.437 1.408 -7.735 65 HG23 THR 7 HG23 THR 7 10.029 1.727 -9.365 66 H GLU 8 H GLU 8 7.155 1.170 -10.645 67 HA GLU 8 HA GLU 8 8.768 1.585 -12.890 68 HB2 GLU 8 HB2 GLU 8 6.962 -0.450 -11.927 69 HB3 GLU 8 HB3 GLU 8 6.769 -0.232 -13.660 70 HG2 GLU 8 HG2 GLU 8 9.448 -0.297 -13.503 71 HG3 GLU 8 HG3 GLU 8 9.034 -1.317 -12.126 72 H TYR 9 H TYR 9 5.531 2.579 -12.214 73 HA TYR 9 HA TYR 9 4.997 3.209 -15.016 74 HB2 TYR 9 HB2 TYR 9 3.374 2.717 -12.647 75 HB3 TYR 9 HB3 TYR 9 2.861 4.159 -13.515 76 HD1 TYR 9 HD2 TYR 9 1.961 4.000 -15.770 77 HD2 TYR 9 HD1 TYR 9 3.184 0.517 -13.656 78 HE1 TYR 9 HE2 TYR 9 0.761 2.599 -17.397 79 HE2 TYR 9 HE1 TYR 9 1.988 -0.895 -15.277 80 HH TYR 9 HH TYR 9 -0.180 -0.345 -16.948 81 H TYR 10 H TYR 10 5.455 4.793 -11.896 82 HA TYR 10 HA TYR 10 4.884 7.419 -12.703 83 HB2 TYR 10 HB2 TYR 10 6.776 6.457 -10.548 84 HB3 TYR 10 HB3 TYR 10 6.179 8.104 -10.713 85 HD1 TYR 10 HD1 TYR 10 3.328 7.567 -11.383 86 HD2 TYR 10 HD2 TYR 10 5.886 5.774 -8.493 87 HE1 TYR 10 HE1 TYR 10 1.368 6.996 -10.012 88 HE2 TYR 10 HE2 TYR 10 3.932 5.197 -7.114 89 HH TYR 10 HH TYR 10 1.180 6.504 -7.187 90 H ASP 11 H ASP 11 7.988 5.693 -12.505 91 HA ASP 11 HA ASP 11 9.663 7.738 -13.344 92 HB2 ASP 11 HB2 ASP 11 10.251 5.374 -12.502 93 HB3 ASP 11 HB3 ASP 11 10.083 4.879 -14.184 94 H VAL 12 H VAL 12 7.562 5.653 -15.207 95 HA VAL 12 HA VAL 12 8.632 6.177 -17.764 96 HB VAL 12 HB VAL 12 5.800 5.448 -17.005 97 HG11 VAL 12 HG11 VAL 12 5.461 6.072 -19.158 98 HG12 VAL 12 HG12 VAL 12 7.153 5.851 -19.606 99 HG13 VAL 12 HG13 VAL 12 6.086 4.453 -19.467 100 HG21 VAL 12 HG21 VAL 12 7.833 3.560 -18.119 101 HG22 VAL 12 HG22 VAL 12 7.810 3.918 -16.392 102 HG23 VAL 12 HG23 VAL 12 6.389 3.216 -17.166 103 H MET 13 H MET 13 6.660 8.048 -15.646 104 HA MET 13 HA MET 13 6.137 9.977 -17.810 105 HB2 MET 13 HB2 MET 13 4.142 8.971 -16.631 106 HB3 MET 13 HB3 MET 13 4.675 9.802 -15.176 107 HG2 MET 13 HG2 MET 13 4.649 11.798 -17.069 108 HG3 MET 13 HG3 MET 13 3.248 10.816 -17.489 109 HE1 MET 13 HE1 MET 13 3.924 12.948 -13.461 110 HE2 MET 13 HE2 MET 13 4.790 11.459 -13.839 111 HE3 MET 13 HE3 MET 13 5.058 12.906 -14.812 112 H THR 14 H THR 14 8.156 9.403 -15.289 113 HA THR 14 HA THR 14 8.251 12.009 -14.096 114 HB THR 14 HB THR 14 10.367 9.852 -13.995 115 HG1 THR 14 HG1 THR 14 8.032 10.280 -12.429 116 HG21 THR 14 HG21 THR 14 9.847 12.367 -12.450 117 HG22 THR 14 HG22 THR 14 11.359 11.771 -13.138 118 HG23 THR 14 HG23 THR 14 10.687 11.013 -11.694 119 H VAL 15 H VAL 15 9.175 10.898 -17.072 120 HA VAL 15 HA VAL 15 11.528 12.629 -17.281 121 HB VAL 15 HB VAL 15 10.386 10.794 -19.389 122 HG11 VAL 15 HG11 VAL 15 11.772 12.161 -20.576 123 HG12 VAL 15 HG12 VAL 15 12.792 12.523 -19.182 124 HG13 VAL 15 HG13 VAL 15 12.953 10.977 -20.016 125 HG21 VAL 15 HG21 VAL 15 11.109 9.103 -18.131 126 HG22 VAL 15 HG22 VAL 15 12.745 9.682 -18.445 127 HG23 VAL 15 HG23 VAL 15 11.893 10.194 -16.988 128 H ILE 16 H ILE 16 8.439 13.246 -17.284 129 HA ILE 16 HA ILE 16 8.668 15.319 -19.334 130 HB ILE 16 HB ILE 16 6.138 13.707 -19.093 131 HG12 ILE 16 HG12 ILE 16 7.053 12.918 -21.473 132 HG13 ILE 16 HG13 ILE 16 8.603 13.183 -20.682 133 HG21 ILE 16 HG21 ILE 16 6.013 14.727 -21.517 134 HG22 ILE 16 HG22 ILE 16 5.544 15.670 -20.103 135 HG23 ILE 16 HG23 ILE 16 7.132 15.905 -20.832 136 HD11 ILE 16 HD11 ILE 16 6.842 10.964 -20.472 137 HD12 ILE 16 HD12 ILE 16 8.435 11.190 -19.749 138 HD13 ILE 16 HD13 ILE 16 6.991 11.724 -18.888 139 H SER 17 H SER 17 8.156 14.586 -16.224 140 HA SER 17 HA SER 17 6.095 16.625 -15.775 141 HB2 SER 17 HB2 SER 17 6.839 14.165 -14.429 142 HB3 SER 17 HB3 SER 17 6.800 15.522 -13.303 143 HG SER 17 HG SER 17 4.745 14.753 -13.383 144 HA PRO 18 HA PRO 18 9.614 18.157 -12.876 145 HB2 PRO 18 HB2 PRO 18 11.924 16.734 -12.804 146 HB3 PRO 18 HB3 PRO 18 10.550 16.389 -11.747 147 HG2 PRO 18 HG2 PRO 18 11.374 15.034 -14.286 148 HG3 PRO 18 HG3 PRO 18 10.808 14.315 -12.767 149 HD2 PRO 18 HD2 PRO 18 9.196 14.629 -14.920 150 HD3 PRO 18 HD3 PRO 18 8.592 14.724 -13.253 151 HA PRO 19 HA PRO 19 12.780 18.330 -16.599 152 HB2 PRO 19 HB2 PRO 19 11.752 17.389 -18.929 153 HB3 PRO 19 HB3 PRO 19 12.681 16.382 -17.813 154 HG2 PRO 19 HG2 PRO 19 9.715 16.590 -18.154 155 HG3 PRO 19 HG3 PRO 19 10.717 15.143 -17.936 156 HD2 PRO 19 HD2 PRO 19 9.311 16.260 -15.910 157 HD3 PRO 19 HD3 PRO 19 10.861 15.433 -15.654 158 H GLU 20 H GLU 20 9.385 18.906 -16.597 159 HA GLU 20 HA GLU 20 9.451 20.911 -18.678 160 HB2 GLU 20 HB2 GLU 20 7.409 19.733 -18.531 161 HB3 GLU 20 HB3 GLU 20 7.325 19.932 -16.786 162 HG2 GLU 20 HG2 GLU 20 7.290 22.366 -18.489 163 HG3 GLU 20 HG3 GLU 20 5.840 21.366 -18.413 164 H PHE 21 H PHE 21 9.943 20.771 -15.285 165 HA PHE 21 HA PHE 21 9.182 23.328 -14.478 166 HB2 PHE 21 HB2 PHE 21 10.527 21.143 -13.334 167 HB3 PHE 21 HB3 PHE 21 11.624 22.510 -13.166 168 HD1 PHE 21 HD1 PHE 21 9.827 24.750 -12.739 169 HD2 PHE 21 HD2 PHE 21 9.612 20.768 -11.252 170 HE1 PHE 21 HE1 PHE 21 8.538 25.547 -10.801 171 HE2 PHE 21 HE2 PHE 21 8.322 21.558 -9.312 172 HZ PHE 21 HZ PHE 21 7.783 23.950 -9.085 173 H GLY 22 H GLY 22 12.032 22.224 -16.187 174 HA2 GLY 22 HA2 GLY 22 13.805 23.355 -17.115 175 HA3 GLY 22 HA3 GLY 22 12.645 24.653 -17.355 Start of MODEL 34 1 H1 TRP 1 H TRP 1 2.404 2.742 0.652 2 HA TRP 1 HA TRP 1 3.658 1.002 1.546 3 HB2 TRP 1 HB2 TRP 1 1.206 -0.297 0.346 4 HB3 TRP 1 HB3 TRP 1 2.271 -1.094 1.501 5 HD1 TRP 1 HD1 TRP 1 2.442 2.039 2.983 6 HE1 TRP 1 HE1 TRP 1 0.577 2.494 4.697 7 HE3 TRP 1 HE3 TRP 1 -0.866 -1.593 1.568 8 HZ2 TRP 1 HZ2 TRP 1 -1.960 1.451 5.362 9 HZ3 TRP 1 HZ3 TRP 1 -2.989 -1.798 2.795 10 HH2 TRP 1 HH2 TRP 1 -3.522 -0.306 4.653 11 H ARG 2 H ARG 2 5.181 -0.563 1.175 12 HA ARG 2 HA ARG 2 6.720 -1.759 0.002 13 HB2 ARG 2 HB2 ARG 2 4.415 -2.312 -1.874 14 HB3 ARG 2 HB3 ARG 2 5.896 -3.250 -1.734 15 HG2 ARG 2 HG2 ARG 2 5.014 -4.486 -0.126 16 HG3 ARG 2 HG3 ARG 2 4.643 -3.050 0.831 17 HD2 ARG 2 HD2 ARG 2 2.557 -2.759 -0.389 18 HD3 ARG 2 HD3 ARG 2 2.935 -4.156 -1.395 19 HE ARG 2 HE ARG 2 1.918 -4.178 1.300 20 HH11 ARG 2 HH11 ARG 2 3.607 -5.973 -1.158 21 HH12 ARG 2 HH12 ARG 2 3.206 -7.520 -0.489 22 HH21 ARG 2 HH21 ARG 2 1.383 -6.208 2.191 23 HH22 ARG 2 HH22 ARG 2 1.939 -7.652 1.416 24 HA PRO 3 HA PRO 3 7.275 1.772 -2.965 25 HB2 PRO 3 HB2 PRO 3 9.709 2.500 -2.008 26 HB3 PRO 3 HB3 PRO 3 8.191 3.100 -1.330 27 HG2 PRO 3 HG2 PRO 3 9.963 0.896 -0.349 28 HG3 PRO 3 HG3 PRO 3 9.146 2.170 0.575 29 HD2 PRO 3 HD2 PRO 3 8.187 -0.357 0.416 30 HD3 PRO 3 HD3 PRO 3 7.127 1.060 0.562 31 H TYR 4 H TYR 4 7.411 -0.168 -4.406 32 HA TYR 4 HA TYR 4 10.205 -0.601 -5.199 33 HB2 TYR 4 HB2 TYR 4 8.991 -2.564 -3.919 34 HB3 TYR 4 HB3 TYR 4 8.254 -2.848 -5.492 35 HD1 TYR 4 HD2 TYR 4 10.290 -2.464 -7.425 36 HD2 TYR 4 HD1 TYR 4 10.665 -4.092 -3.512 37 HE1 TYR 4 HE2 TYR 4 12.287 -3.709 -8.141 38 HE2 TYR 4 HE1 TYR 4 12.664 -5.341 -4.217 39 HH TYR 4 HH TYR 4 14.480 -4.719 -6.582 40 H LEU 5 H LEU 5 6.943 -1.532 -6.308 41 HA LEU 5 HA LEU 5 7.669 -1.050 -9.054 42 HB2 LEU 5 HB2 LEU 5 5.814 -2.210 -9.595 43 HB3 LEU 5 HB3 LEU 5 5.954 -2.757 -7.925 44 HG LEU 5 HG LEU 5 4.382 -0.653 -7.510 45 HD11 LEU 5 HD11 LEU 5 3.136 -1.511 -10.040 46 HD12 LEU 5 HD12 LEU 5 4.538 -0.451 -10.183 47 HD13 LEU 5 HD13 LEU 5 3.136 0.064 -9.246 48 HD21 LEU 5 HD21 LEU 5 2.550 -2.155 -7.394 49 HD22 LEU 5 HD22 LEU 5 3.994 -3.087 -7.001 50 HD23 LEU 5 HD23 LEU 5 3.263 -3.226 -8.600 51 H GLN 6 H GLN 6 6.132 0.698 -6.502 52 HA GLN 6 HA GLN 6 4.523 2.493 -7.843 53 HB2 GLN 6 HB2 GLN 6 6.257 2.849 -5.404 54 HB3 GLN 6 HB3 GLN 6 5.179 4.112 -5.983 55 HG2 GLN 6 HG2 GLN 6 4.428 1.376 -4.992 56 HG3 GLN 6 HG3 GLN 6 4.070 2.932 -4.244 57 HE21 GLN 6 HE21 GLN 6 2.658 0.508 -5.773 58 HE22 GLN 6 HE22 GLN 6 1.402 1.335 -6.622 59 H THR 7 H THR 7 8.004 2.794 -7.170 60 HA THR 7 HA THR 7 8.316 5.257 -8.537 61 HB THR 7 HB THR 7 9.928 4.473 -6.843 62 HG1 THR 7 HG1 THR 7 10.484 5.904 -8.738 63 HG21 THR 7 HG21 THR 7 11.038 2.524 -6.962 64 HG22 THR 7 HG22 THR 7 11.398 2.729 -8.676 65 HG23 THR 7 HG23 THR 7 9.839 2.076 -8.174 66 H GLU 8 H GLU 8 8.443 1.909 -9.538 67 HA GLU 8 HA GLU 8 9.794 2.139 -11.955 68 HB2 GLU 8 HB2 GLU 8 8.195 0.179 -10.637 69 HB3 GLU 8 HB3 GLU 8 7.653 0.295 -12.306 70 HG2 GLU 8 HG2 GLU 8 9.735 -0.322 -13.152 71 HG3 GLU 8 HG3 GLU 8 10.557 0.023 -11.632 72 H TYR 9 H TYR 9 6.512 2.992 -11.114 73 HA TYR 9 HA TYR 9 5.627 3.335 -13.821 74 HB2 TYR 9 HB2 TYR 9 4.463 3.464 -11.173 75 HB3 TYR 9 HB3 TYR 9 3.945 4.830 -12.153 76 HD1 TYR 9 HD1 TYR 9 4.050 1.134 -12.004 77 HD2 TYR 9 HD2 TYR 9 2.372 4.552 -13.902 78 HE1 TYR 9 HE1 TYR 9 2.401 -0.306 -13.125 79 HE2 TYR 9 HE2 TYR 9 0.717 3.122 -15.028 80 HH TYR 9 HH TYR 9 0.285 -0.200 -14.189 81 H TYR 10 H TYR 10 6.666 5.500 -11.213 82 HA TYR 10 HA TYR 10 6.247 7.912 -12.611 83 HB2 TYR 10 HB2 TYR 10 8.283 7.404 -10.435 84 HB3 TYR 10 HB3 TYR 10 7.586 8.955 -10.890 85 HD1 TYR 10 HD2 TYR 10 4.723 8.243 -11.124 86 HD2 TYR 10 HD1 TYR 10 7.616 7.107 -8.218 87 HE1 TYR 10 HE2 TYR 10 2.930 7.926 -9.471 88 HE2 TYR 10 HE1 TYR 10 5.831 6.785 -6.557 89 HH TYR 10 HH TYR 10 2.418 7.199 -7.426 90 H ASP 11 H ASP 11 8.796 5.565 -12.688 91 HA ASP 11 HA ASP 11 10.824 7.206 -13.799 92 HB2 ASP 11 HB2 ASP 11 11.111 4.924 -12.702 93 HB3 ASP 11 HB3 ASP 11 10.548 4.231 -14.221 94 H VAL 12 H VAL 12 8.087 5.538 -15.136 95 HA VAL 12 HA VAL 12 9.017 5.733 -17.867 96 HB VAL 12 HB VAL 12 6.274 5.006 -16.830 97 HG11 VAL 12 HG11 VAL 12 6.195 3.850 -19.119 98 HG12 VAL 12 HG12 VAL 12 5.990 5.602 -19.071 99 HG13 VAL 12 HG13 VAL 12 7.540 4.907 -19.547 100 HG21 VAL 12 HG21 VAL 12 7.002 2.673 -17.313 101 HG22 VAL 12 HG22 VAL 12 8.637 3.284 -17.567 102 HG23 VAL 12 HG23 VAL 12 7.876 3.434 -15.983 103 H MET 13 H MET 13 7.169 7.636 -15.652 104 HA MET 13 HA MET 13 6.272 9.392 -17.831 105 HB2 MET 13 HB2 MET 13 4.604 8.474 -16.144 106 HB3 MET 13 HB3 MET 13 5.382 9.507 -14.952 107 HG2 MET 13 HG2 MET 13 4.918 11.345 -16.806 108 HG3 MET 13 HG3 MET 13 3.634 10.216 -17.233 109 HE1 MET 13 HE1 MET 13 4.235 11.657 -12.968 110 HE2 MET 13 HE2 MET 13 5.466 11.322 -14.185 111 HE3 MET 13 HE3 MET 13 4.658 12.890 -14.157 112 H THR 14 H THR 14 8.884 9.094 -16.015 113 HA THR 14 HA THR 14 9.181 11.652 -14.810 114 HB THR 14 HB THR 14 10.511 9.562 -14.244 115 HG1 THR 14 HG1 THR 14 11.044 11.894 -13.733 116 HG21 THR 14 HG21 THR 14 12.363 8.934 -15.529 117 HG22 THR 14 HG22 THR 14 12.343 10.432 -16.458 118 HG23 THR 14 HG23 THR 14 11.100 9.211 -16.727 119 H VAL 15 H VAL 15 9.057 10.766 -18.008 120 HA VAL 15 HA VAL 15 10.952 12.799 -18.920 121 HB VAL 15 HB VAL 15 9.291 10.900 -20.580 122 HG11 VAL 15 HG11 VAL 15 11.322 12.974 -21.191 123 HG12 VAL 15 HG12 VAL 15 11.356 11.488 -22.142 124 HG13 VAL 15 HG13 VAL 15 9.897 12.480 -22.103 125 HG21 VAL 15 HG21 VAL 15 10.837 9.697 -19.099 126 HG22 VAL 15 HG22 VAL 15 11.305 9.551 -20.793 127 HG23 VAL 15 HG23 VAL 15 12.176 10.656 -19.729 128 H ILE 16 H ILE 16 8.026 12.998 -17.738 129 HA ILE 16 HA ILE 16 7.279 15.208 -19.496 130 HB ILE 16 HB ILE 16 5.183 13.241 -18.604 131 HG12 ILE 16 HG12 ILE 16 6.616 13.346 -21.268 132 HG13 ILE 16 HG13 ILE 16 6.743 12.056 -20.077 133 HG21 ILE 16 HG21 ILE 16 4.576 14.677 -20.992 134 HG22 ILE 16 HG22 ILE 16 3.765 14.732 -19.428 135 HG23 ILE 16 HG23 ILE 16 5.116 15.816 -19.758 136 HD11 ILE 16 HD11 ILE 16 4.255 11.729 -20.371 137 HD12 ILE 16 HD12 ILE 16 4.384 12.789 -21.775 138 HD13 ILE 16 HD13 ILE 16 5.279 11.270 -21.731 139 H SER 17 H SER 17 7.962 14.173 -16.501 140 HA SER 17 HA SER 17 5.969 15.835 -15.138 141 HB2 SER 17 HB2 SER 17 7.694 14.700 -13.230 142 HB3 SER 17 HB3 SER 17 6.052 14.187 -13.620 143 HG SER 17 HG SER 17 6.823 12.622 -14.900 144 HA PRO 18 HA PRO 18 10.065 17.750 -13.494 145 HB2 PRO 18 HB2 PRO 18 12.410 16.734 -14.410 146 HB3 PRO 18 HB3 PRO 18 11.578 16.097 -12.987 147 HG2 PRO 18 HG2 PRO 18 11.588 15.063 -15.796 148 HG3 PRO 18 HG3 PRO 18 11.719 14.164 -14.273 149 HD2 PRO 18 HD2 PRO 18 9.405 14.338 -15.667 150 HD3 PRO 18 HD3 PRO 18 9.446 14.224 -13.896 151 HA PRO 19 HA PRO 19 11.588 18.687 -18.047 152 HB2 PRO 19 HB2 PRO 19 9.904 17.744 -19.956 153 HB3 PRO 19 HB3 PRO 19 11.301 16.833 -19.373 154 HG2 PRO 19 HG2 PRO 19 8.418 16.572 -18.612 155 HG3 PRO 19 HG3 PRO 19 9.608 15.299 -18.941 156 HD2 PRO 19 HD2 PRO 19 8.917 16.032 -16.428 157 HD3 PRO 19 HD3 PRO 19 10.545 15.457 -16.841 158 H GLU 20 H GLU 20 8.377 18.682 -16.789 159 HA GLU 20 HA GLU 20 7.422 20.812 -18.490 160 HB2 GLU 20 HB2 GLU 20 6.278 18.959 -16.592 161 HB3 GLU 20 HB3 GLU 20 5.736 20.598 -16.258 162 HG2 GLU 20 HG2 GLU 20 5.126 20.762 -18.700 163 HG3 GLU 20 HG3 GLU 20 5.410 19.024 -18.793 164 H PHE 21 H PHE 21 9.156 20.527 -15.552 165 HA PHE 21 HA PHE 21 8.404 22.854 -14.205 166 HB2 PHE 21 HB2 PHE 21 10.343 20.852 -13.887 167 HB3 PHE 21 HB3 PHE 21 11.242 22.364 -13.953 168 HD1 PHE 21 HD1 PHE 21 9.439 24.242 -12.652 169 HD2 PHE 21 HD2 PHE 21 10.338 20.199 -11.673 170 HE1 PHE 21 HE1 PHE 21 8.865 24.687 -10.301 171 HE2 PHE 21 HE2 PHE 21 9.765 20.637 -9.321 172 HZ PHE 21 HZ PHE 21 9.026 22.883 -8.633 173 H GLY 22 H GLY 22 10.565 22.366 -16.921 174 HA2 GLY 22 HA2 GLY 22 11.710 23.841 -18.259 175 HA3 GLY 22 HA3 GLY 22 10.376 24.935 -17.923 Start of MODEL 35 1 H1 TRP 1 H TRP 1 2.343 -1.764 2.700 2 HA TRP 1 HA TRP 1 3.611 -3.852 2.770 3 HB2 TRP 1 HB2 TRP 1 1.068 -3.809 2.208 4 HB3 TRP 1 HB3 TRP 1 1.590 -4.248 0.583 5 HD1 TRP 1 HD1 TRP 1 4.058 -6.057 2.200 6 HE1 TRP 1 HE1 TRP 1 3.359 -8.444 2.861 7 HE3 TRP 1 HE3 TRP 1 -1.018 -5.527 1.906 8 HZ2 TRP 1 HZ2 TRP 1 0.972 -9.909 3.211 9 HZ3 TRP 1 HZ3 TRP 1 -2.439 -7.469 2.419 10 HH2 TRP 1 HH2 TRP 1 -1.462 -9.614 3.057 11 H ARG 2 H ARG 2 2.977 -2.765 -0.565 12 HA ARG 2 HA ARG 2 4.706 -4.558 -1.837 13 HB2 ARG 2 HB2 ARG 2 3.403 -1.992 -2.552 14 HB3 ARG 2 HB3 ARG 2 4.788 -2.466 -3.527 15 HG2 ARG 2 HG2 ARG 2 3.591 -3.966 -4.638 16 HG3 ARG 2 HG3 ARG 2 2.979 -4.680 -3.144 17 HD2 ARG 2 HD2 ARG 2 1.893 -2.157 -4.385 18 HD3 ARG 2 HD3 ARG 2 1.214 -3.762 -4.655 19 HE ARG 2 HE ARG 2 1.439 -3.039 -1.879 20 HH11 ARG 2 HH11 ARG 2 -0.547 -2.892 -4.735 21 HH12 ARG 2 HH12 ARG 2 -2.026 -2.693 -3.854 22 HH21 ARG 2 HH21 ARG 2 -0.501 -2.776 -0.709 23 HH22 ARG 2 HH22 ARG 2 -1.998 -2.626 -1.564 24 HA PRO 3 HA PRO 3 8.780 -3.084 -1.152 25 HB2 PRO 3 HB2 PRO 3 9.935 -3.388 -3.590 26 HB3 PRO 3 HB3 PRO 3 9.519 -4.754 -2.547 27 HG2 PRO 3 HG2 PRO 3 8.027 -3.636 -4.890 28 HG3 PRO 3 HG3 PRO 3 8.332 -5.330 -4.462 29 HD2 PRO 3 HD2 PRO 3 5.971 -4.102 -3.958 30 HD3 PRO 3 HD3 PRO 3 6.628 -5.376 -2.910 31 H TYR 4 H TYR 4 7.537 -1.868 -4.270 32 HA TYR 4 HA TYR 4 7.658 0.837 -3.603 33 HB2 TYR 4 HB2 TYR 4 9.672 1.398 -5.129 34 HB3 TYR 4 HB3 TYR 4 9.992 0.846 -3.488 35 HD1 TYR 4 HD2 TYR 4 9.821 -0.311 -7.015 36 HD2 TYR 4 HD1 TYR 4 11.331 -1.040 -3.105 37 HE1 TYR 4 HE2 TYR 4 11.238 -2.113 -7.905 38 HE2 TYR 4 HE1 TYR 4 12.754 -2.843 -3.984 39 HH TYR 4 HH TYR 4 12.332 -4.231 -6.962 40 H LEU 5 H LEU 5 6.526 1.961 -5.074 41 HA LEU 5 HA LEU 5 6.407 1.016 -7.837 42 HB2 LEU 5 HB2 LEU 5 3.832 1.546 -7.586 43 HB3 LEU 5 HB3 LEU 5 4.493 -0.053 -7.254 44 HG LEU 5 HG LEU 5 4.246 1.860 -4.988 45 HD11 LEU 5 HD11 LEU 5 1.873 0.205 -5.657 46 HD12 LEU 5 HD12 LEU 5 2.091 1.731 -6.513 47 HD13 LEU 5 HD13 LEU 5 1.985 1.715 -4.752 48 HD21 LEU 5 HD21 LEU 5 4.253 -0.024 -3.702 49 HD22 LEU 5 HD22 LEU 5 5.165 -0.618 -5.090 50 HD23 LEU 5 HD23 LEU 5 3.450 -1.003 -4.930 51 H GLN 6 H GLN 6 5.499 3.486 -5.476 52 HA GLN 6 HA GLN 6 4.683 5.501 -7.196 53 HB2 GLN 6 HB2 GLN 6 5.853 5.427 -4.462 54 HB3 GLN 6 HB3 GLN 6 5.824 6.980 -5.287 55 HG2 GLN 6 HG2 GLN 6 3.347 5.321 -5.138 56 HG3 GLN 6 HG3 GLN 6 3.853 6.290 -3.755 57 HE21 GLN 6 HE21 GLN 6 2.674 8.058 -3.679 58 HE22 GLN 6 HE22 GLN 6 2.265 9.069 -5.018 59 H THR 7 H THR 7 7.956 4.766 -6.032 60 HA THR 7 HA THR 7 9.136 6.846 -7.645 61 HB THR 7 HB THR 7 10.084 6.141 -5.436 62 HG1 THR 7 HG1 THR 7 11.375 7.240 -6.999 63 HG21 THR 7 HG21 THR 7 9.793 3.725 -5.669 64 HG22 THR 7 HG22 THR 7 11.485 4.126 -5.371 65 HG23 THR 7 HG23 THR 7 10.952 3.705 -6.998 66 H GLU 8 H GLU 8 8.435 3.471 -7.968 67 HA GLU 8 HA GLU 8 10.294 2.988 -10.104 68 HB2 GLU 8 HB2 GLU 8 9.687 1.107 -8.773 69 HB3 GLU 8 HB3 GLU 8 7.971 1.418 -8.996 70 HG2 GLU 8 HG2 GLU 8 8.767 -0.491 -10.311 71 HG3 GLU 8 HG3 GLU 8 8.110 0.798 -11.317 72 H TYR 9 H TYR 9 7.163 4.343 -9.838 73 HA TYR 9 HA TYR 9 6.423 3.806 -12.589 74 HB2 TYR 9 HB2 TYR 9 4.894 4.116 -10.429 75 HB3 TYR 9 HB3 TYR 9 4.949 5.801 -10.937 76 HD1 TYR 9 HD2 TYR 9 4.519 6.106 -13.575 77 HD2 TYR 9 HD1 TYR 9 3.141 2.846 -11.213 78 HE1 TYR 9 HE2 TYR 9 2.742 5.673 -15.220 79 HE2 TYR 9 HE1 TYR 9 1.361 2.403 -12.852 80 HH TYR 9 HH TYR 9 1.327 3.753 -15.937 81 H TYR 10 H TYR 10 7.703 6.440 -10.663 82 HA TYR 10 HA TYR 10 7.330 8.547 -12.465 83 HB2 TYR 10 HB2 TYR 10 9.525 8.107 -10.432 84 HB3 TYR 10 HB3 TYR 10 9.234 9.628 -11.268 85 HD1 TYR 10 HD1 TYR 10 6.211 9.568 -11.207 86 HD2 TYR 10 HD2 TYR 10 9.114 8.767 -8.202 87 HE1 TYR 10 HE1 TYR 10 4.587 10.212 -9.475 88 HE2 TYR 10 HE2 TYR 10 7.499 9.408 -6.462 89 HH TYR 10 HH TYR 10 5.509 10.561 -6.133 90 H ASP 11 H ASP 11 9.602 5.930 -12.449 91 HA ASP 11 HA ASP 11 11.579 7.037 -14.127 92 HB2 ASP 11 HB2 ASP 11 11.131 4.577 -12.839 93 HB3 ASP 11 HB3 ASP 11 11.275 4.199 -14.553 94 H VAL 12 H VAL 12 8.676 5.127 -14.832 95 HA VAL 12 HA VAL 12 9.123 5.117 -17.661 96 HB VAL 12 HB VAL 12 6.575 4.530 -16.146 97 HG11 VAL 12 HG11 VAL 12 7.426 4.072 -18.990 98 HG12 VAL 12 HG12 VAL 12 6.129 3.143 -18.236 99 HG13 VAL 12 HG13 VAL 12 5.987 4.895 -18.391 100 HG21 VAL 12 HG21 VAL 12 7.368 2.117 -16.728 101 HG22 VAL 12 HG22 VAL 12 8.963 2.863 -16.818 102 HG23 VAL 12 HG23 VAL 12 8.036 2.943 -15.320 103 H MET 13 H MET 13 7.435 7.173 -15.402 104 HA MET 13 HA MET 13 6.294 8.729 -17.613 105 HB2 MET 13 HB2 MET 13 4.866 7.948 -15.649 106 HB3 MET 13 HB3 MET 13 5.745 9.119 -14.675 107 HG2 MET 13 HG2 MET 13 5.017 10.782 -16.553 108 HG3 MET 13 HG3 MET 13 3.780 9.567 -16.864 109 HE1 MET 13 HE1 MET 13 5.714 11.025 -14.098 110 HE2 MET 13 HE2 MET 13 4.608 12.198 -13.381 111 HE3 MET 13 HE3 MET 13 4.702 10.561 -12.730 112 H THR 14 H THR 14 9.113 8.799 -17.043 113 HA THR 14 HA THR 14 9.602 11.317 -15.687 114 HB THR 14 HB THR 14 11.157 9.302 -15.561 115 HG1 THR 14 HG1 THR 14 12.603 11.529 -16.483 116 HG21 THR 14 HG21 THR 14 11.082 8.951 -18.081 117 HG22 THR 14 HG22 THR 14 12.673 8.876 -17.324 118 HG23 THR 14 HG23 THR 14 12.181 10.325 -18.201 119 H VAL 15 H VAL 15 8.580 10.471 -18.708 120 HA VAL 15 HA VAL 15 10.082 12.524 -20.138 121 HB VAL 15 HB VAL 15 7.909 10.722 -21.210 122 HG11 VAL 15 HG11 VAL 15 9.823 12.663 -22.421 123 HG12 VAL 15 HG12 VAL 15 9.321 11.248 -23.350 124 HG13 VAL 15 HG13 VAL 15 8.115 12.399 -22.771 125 HG21 VAL 15 HG21 VAL 15 10.126 9.660 -22.239 126 HG22 VAL 15 HG22 VAL 15 10.795 10.254 -20.719 127 HG23 VAL 15 HG23 VAL 15 9.443 9.121 -20.704 128 H ILE 16 H ILE 16 7.567 12.588 -18.115 129 HA ILE 16 HA ILE 16 6.426 14.949 -19.410 130 HB ILE 16 HB ILE 16 4.614 12.913 -18.134 131 HG12 ILE 16 HG12 ILE 16 4.000 12.624 -20.716 132 HG13 ILE 16 HG13 ILE 16 5.703 13.028 -20.905 133 HG21 ILE 16 HG21 ILE 16 3.490 14.927 -18.190 134 HG22 ILE 16 HG22 ILE 16 4.264 15.437 -19.690 135 HG23 ILE 16 HG23 ILE 16 3.004 14.204 -19.723 136 HD11 ILE 16 HD11 ILE 16 4.964 10.552 -20.710 137 HD12 ILE 16 HD12 ILE 16 6.408 11.106 -19.861 138 HD13 ILE 16 HD13 ILE 16 4.893 10.899 -18.982 139 H SER 17 H SER 17 7.915 13.714 -16.829 140 HA SER 17 HA SER 17 6.390 15.216 -14.827 141 HB2 SER 17 HB2 SER 17 8.107 12.854 -14.762 142 HB3 SER 17 HB3 SER 17 8.513 14.023 -13.505 143 HG SER 17 HG SER 17 5.997 13.975 -13.333 144 HA PRO 18 HA PRO 18 10.755 17.119 -14.219 145 HB2 PRO 18 HB2 PRO 18 12.799 16.173 -15.735 146 HB3 PRO 18 HB3 PRO 18 12.349 15.464 -14.180 147 HG2 PRO 18 HG2 PRO 18 11.659 14.554 -16.947 148 HG3 PRO 18 HG3 PRO 18 12.167 13.592 -15.547 149 HD2 PRO 18 HD2 PRO 18 9.577 13.798 -16.312 150 HD3 PRO 18 HD3 PRO 18 10.059 13.608 -14.614 151 HA PRO 19 HA PRO 19 11.105 18.275 -18.958 152 HB2 PRO 19 HB2 PRO 19 9.015 17.381 -20.442 153 HB3 PRO 19 HB3 PRO 19 10.521 16.473 -20.258 154 HG2 PRO 19 HG2 PRO 19 7.912 16.124 -18.831 155 HG3 PRO 19 HG3 PRO 19 8.997 14.890 -19.497 156 HD2 PRO 19 HD2 PRO 19 8.933 15.504 -16.861 157 HD3 PRO 19 HD3 PRO 19 10.416 14.978 -17.683 158 H GLU 20 H GLU 20 8.303 18.159 -16.955 159 HA GLU 20 HA GLU 20 6.937 20.334 -18.277 160 HB2 GLU 20 HB2 GLU 20 5.498 18.769 -17.250 161 HB3 GLU 20 HB3 GLU 20 6.428 18.768 -15.759 162 HG2 GLU 20 HG2 GLU 20 5.664 20.974 -15.212 163 HG3 GLU 20 HG3 GLU 20 4.860 21.126 -16.773 164 H PHE 21 H PHE 21 9.325 19.961 -15.841 165 HA PHE 21 HA PHE 21 8.905 22.243 -14.284 166 HB2 PHE 21 HB2 PHE 21 10.877 20.241 -14.503 167 HB3 PHE 21 HB3 PHE 21 11.722 21.777 -14.670 168 HD1 PHE 21 HD1 PHE 21 9.031 20.297 -12.545 169 HD2 PHE 21 HD2 PHE 21 12.533 22.708 -12.744 170 HE1 PHE 21 HE1 PHE 21 8.962 20.593 -10.103 171 HE2 PHE 21 HE2 PHE 21 12.471 23.007 -10.303 172 HZ PHE 21 HZ PHE 21 10.684 21.948 -8.979 173 H GLY 22 H GLY 22 10.129 21.885 -17.502 174 HA2 GLY 22 HA2 GLY 22 11.678 24.148 -17.843 175 HA3 GLY 22 HA3 GLY 22 10.664 23.450 -19.097 Start of MODEL 36 1 H1 TRP 1 H TRP 1 4.610 1.304 4.712 2 HA TRP 1 HA TRP 1 3.385 -0.221 2.560 3 HB2 TRP 1 HB2 TRP 1 4.493 2.574 2.765 4 HB3 TRP 1 HB3 TRP 1 4.049 1.865 1.215 5 HD1 TRP 1 HD1 TRP 1 1.487 0.372 3.016 6 HE1 TRP 1 HE1 TRP 1 -0.640 1.809 3.209 7 HE3 TRP 1 HE3 TRP 1 3.477 4.930 1.832 8 HZ2 TRP 1 HZ2 TRP 1 -1.377 4.516 2.899 9 HZ3 TRP 1 HZ3 TRP 1 1.993 6.893 1.802 10 HH2 TRP 1 HH2 TRP 1 -0.383 6.688 2.324 11 H ARG 2 H ARG 2 4.451 -1.202 0.920 12 HA ARG 2 HA ARG 2 7.384 -0.956 0.855 13 HB2 ARG 2 HB2 ARG 2 5.728 -3.476 0.703 14 HB3 ARG 2 HB3 ARG 2 7.423 -3.405 0.240 15 HG2 ARG 2 HG2 ARG 2 7.726 -4.068 2.369 16 HG3 ARG 2 HG3 ARG 2 7.592 -2.337 2.690 17 HD2 ARG 2 HD2 ARG 2 6.048 -3.053 4.184 18 HD3 ARG 2 HD3 ARG 2 5.002 -2.984 2.767 19 HE ARG 2 HE ARG 2 6.298 -5.524 3.121 20 HH11 ARG 2 HH11 ARG 2 3.552 -3.566 3.986 21 HH12 ARG 2 HH12 ARG 2 2.542 -4.921 4.368 22 HH21 ARG 2 HH21 ARG 2 4.978 -7.315 3.621 23 HH22 ARG 2 HH22 ARG 2 3.355 -7.053 4.161 24 HA PRO 3 HA PRO 3 5.538 -0.127 -3.327 25 HB2 PRO 3 HB2 PRO 3 7.047 2.076 -3.815 26 HB3 PRO 3 HB3 PRO 3 5.508 2.139 -2.948 27 HG2 PRO 3 HG2 PRO 3 8.296 2.126 -1.859 28 HG3 PRO 3 HG3 PRO 3 6.906 3.109 -1.363 29 HD2 PRO 3 HD2 PRO 3 7.695 0.907 0.001 30 HD3 PRO 3 HD3 PRO 3 5.995 1.409 -0.101 31 H TYR 4 H TYR 4 6.375 -1.070 -5.083 32 HA TYR 4 HA TYR 4 9.294 -1.202 -5.378 33 HB2 TYR 4 HB2 TYR 4 8.120 -3.352 -4.450 34 HB3 TYR 4 HB3 TYR 4 7.618 -3.573 -6.122 35 HD1 TYR 4 HD2 TYR 4 9.383 -3.773 -7.905 36 HD2 TYR 4 HD1 TYR 4 10.316 -3.880 -3.755 37 HE1 TYR 4 HE2 TYR 4 11.556 -4.801 -8.425 38 HE2 TYR 4 HE1 TYR 4 12.492 -4.907 -4.264 39 HH TYR 4 HH TYR 4 13.384 -5.771 -7.582 40 H LEU 5 H LEU 5 6.398 -2.339 -7.124 41 HA LEU 5 HA LEU 5 7.539 -1.590 -9.656 42 HB2 LEU 5 HB2 LEU 5 5.916 -2.845 -10.589 43 HB3 LEU 5 HB3 LEU 5 5.807 -3.497 -8.956 44 HG LEU 5 HG LEU 5 4.010 -1.554 -8.712 45 HD11 LEU 5 HD11 LEU 5 4.617 -1.140 -11.293 46 HD12 LEU 5 HD12 LEU 5 3.030 -0.809 -10.602 47 HD13 LEU 5 HD13 LEU 5 3.313 -2.314 -11.476 48 HD21 LEU 5 HD21 LEU 5 3.312 -4.106 -10.145 49 HD22 LEU 5 HD22 LEU 5 2.326 -3.191 -9.004 50 HD23 LEU 5 HD23 LEU 5 3.760 -4.051 -8.440 51 H GLN 6 H GLN 6 5.489 -0.123 -7.312 52 HA GLN 6 HA GLN 6 3.951 1.623 -8.790 53 HB2 GLN 6 HB2 GLN 6 5.131 1.678 -6.066 54 HB3 GLN 6 HB3 GLN 6 4.525 3.202 -6.702 55 HG2 GLN 6 HG2 GLN 6 2.337 2.232 -7.036 56 HG3 GLN 6 HG3 GLN 6 2.929 0.658 -6.508 57 HE21 GLN 6 HE21 GLN 6 3.299 0.288 -4.337 58 HE22 GLN 6 HE22 GLN 6 2.721 1.349 -3.102 59 H THR 7 H THR 7 7.253 2.168 -7.578 60 HA THR 7 HA THR 7 7.534 4.699 -8.851 61 HB THR 7 HB THR 7 8.883 4.152 -6.899 62 HG1 THR 7 HG1 THR 7 9.712 5.411 -8.911 63 HG21 THR 7 HG21 THR 7 10.799 2.426 -8.260 64 HG22 THR 7 HG22 THR 7 9.209 1.683 -8.082 65 HG23 THR 7 HG23 THR 7 10.073 2.268 -6.661 66 H GLU 8 H GLU 8 8.268 1.394 -9.763 67 HA GLU 8 HA GLU 8 9.986 1.832 -11.904 68 HB2 GLU 8 HB2 GLU 8 9.639 -0.399 -11.134 69 HB3 GLU 8 HB3 GLU 8 7.910 -0.304 -11.435 70 HG2 GLU 8 HG2 GLU 8 8.129 -0.858 -13.587 71 HG3 GLU 8 HG3 GLU 8 9.552 0.158 -13.806 72 H TYR 9 H TYR 9 6.576 2.373 -11.627 73 HA TYR 9 HA TYR 9 6.135 2.563 -14.476 74 HB2 TYR 9 HB2 TYR 9 4.304 1.773 -13.125 75 HB3 TYR 9 HB3 TYR 9 4.380 3.201 -12.099 76 HD1 TYR 9 HD2 TYR 9 4.337 2.782 -15.813 77 HD2 TYR 9 HD1 TYR 9 2.437 4.419 -12.376 78 HE1 TYR 9 HE2 TYR 9 2.697 3.904 -17.262 79 HE2 TYR 9 HE1 TYR 9 0.790 5.545 -13.815 80 HH TYR 9 HH TYR 9 0.913 6.361 -16.462 81 H TYR 10 H TYR 10 6.391 4.790 -11.733 82 HA TYR 10 HA TYR 10 5.850 7.159 -13.141 83 HB2 TYR 10 HB2 TYR 10 7.595 6.788 -10.698 84 HB3 TYR 10 HB3 TYR 10 6.909 8.311 -11.253 85 HD1 TYR 10 HD2 TYR 10 4.159 7.456 -11.956 86 HD2 TYR 10 HD1 TYR 10 6.594 6.448 -8.616 87 HE1 TYR 10 HE2 TYR 10 2.139 7.036 -10.617 88 HE2 TYR 10 HE1 TYR 10 4.581 6.024 -7.268 89 HH TYR 10 HH TYR 10 1.335 6.559 -8.597 90 H ASP 11 H ASP 11 8.694 5.190 -12.925 91 HA ASP 11 HA ASP 11 10.621 7.097 -13.704 92 HB2 ASP 11 HB2 ASP 11 10.790 4.564 -12.846 93 HB3 ASP 11 HB3 ASP 11 10.962 4.276 -14.576 94 H VAL 12 H VAL 12 8.213 5.357 -15.469 95 HA VAL 12 HA VAL 12 9.443 5.778 -18.050 96 HB VAL 12 HB VAL 12 6.636 4.862 -17.409 97 HG11 VAL 12 HG11 VAL 12 6.393 5.301 -19.605 98 HG12 VAL 12 HG12 VAL 12 8.131 5.295 -19.908 99 HG13 VAL 12 HG13 VAL 12 7.249 3.772 -19.801 100 HG21 VAL 12 HG21 VAL 12 8.139 3.297 -16.436 101 HG22 VAL 12 HG22 VAL 12 7.576 2.593 -17.952 102 HG23 VAL 12 HG23 VAL 12 9.182 3.316 -17.859 103 H MET 13 H MET 13 7.246 7.441 -15.966 104 HA MET 13 HA MET 13 6.509 9.288 -18.130 105 HB2 MET 13 HB2 MET 13 4.713 8.187 -16.704 106 HB3 MET 13 HB3 MET 13 5.293 9.177 -15.372 107 HG2 MET 13 HG2 MET 13 4.945 11.098 -17.180 108 HG3 MET 13 HG3 MET 13 3.761 9.939 -17.781 109 HE1 MET 13 HE1 MET 13 5.118 10.829 -14.309 110 HE2 MET 13 HE2 MET 13 4.604 12.457 -14.751 111 HE3 MET 13 HE3 MET 13 3.753 11.578 -13.480 112 H THR 14 H THR 14 8.863 8.984 -15.942 113 HA THR 14 HA THR 14 8.879 11.515 -14.644 114 HB THR 14 HB THR 14 10.176 9.439 -13.936 115 HG1 THR 14 HG1 THR 14 10.512 11.704 -13.194 116 HG21 THR 14 HG21 THR 14 12.162 8.852 -14.956 117 HG22 THR 14 HG22 THR 14 12.374 10.439 -15.695 118 HG23 THR 14 HG23 THR 14 11.187 9.313 -16.351 119 H VAL 15 H VAL 15 9.278 10.724 -17.841 120 HA VAL 15 HA VAL 15 11.233 12.828 -18.396 121 HB VAL 15 HB VAL 15 9.898 10.943 -20.343 122 HG11 VAL 15 HG11 VAL 15 12.158 11.624 -21.554 123 HG12 VAL 15 HG12 VAL 15 10.688 12.587 -21.709 124 HG13 VAL 15 HG13 VAL 15 11.948 13.077 -20.577 125 HG21 VAL 15 HG21 VAL 15 12.650 10.735 -19.127 126 HG22 VAL 15 HG22 VAL 15 11.259 9.773 -18.628 127 HG23 VAL 15 HG23 VAL 15 11.903 9.610 -20.261 128 H ILE 16 H ILE 16 8.156 12.923 -17.673 129 HA ILE 16 HA ILE 16 7.626 15.167 -19.467 130 HB ILE 16 HB ILE 16 5.473 13.127 -18.956 131 HG12 ILE 16 HG12 ILE 16 7.292 13.342 -21.365 132 HG13 ILE 16 HG13 ILE 16 7.269 12.020 -20.203 133 HG21 ILE 16 HG21 ILE 16 5.207 14.626 -21.371 134 HG22 ILE 16 HG22 ILE 16 4.154 14.601 -19.958 135 HG23 ILE 16 HG23 ILE 16 5.505 15.732 -20.030 136 HD11 ILE 16 HD11 ILE 16 5.098 12.774 -22.140 137 HD12 ILE 16 HD12 ILE 16 6.110 11.329 -22.167 138 HD13 ILE 16 HD13 ILE 16 4.926 11.554 -20.879 139 H SER 17 H SER 17 7.873 14.060 -16.431 140 HA SER 17 HA SER 17 5.653 15.635 -15.345 141 HB2 SER 17 HB2 SER 17 7.102 14.482 -13.228 142 HB3 SER 17 HB3 SER 17 5.549 13.949 -13.871 143 HG SER 17 HG SER 17 6.561 12.472 -15.123 144 HA PRO 18 HA PRO 18 9.398 17.594 -13.048 145 HB2 PRO 18 HB2 PRO 18 11.882 16.660 -13.622 146 HB3 PRO 18 HB3 PRO 18 10.861 15.962 -12.359 147 HG2 PRO 18 HG2 PRO 18 11.326 15.012 -15.160 148 HG3 PRO 18 HG3 PRO 18 11.249 14.072 -13.658 149 HD2 PRO 18 HD2 PRO 18 9.168 14.234 -15.383 150 HD3 PRO 18 HD3 PRO 18 8.944 14.069 -13.630 151 HA PRO 19 HA PRO 19 11.567 18.700 -17.290 152 HB2 PRO 19 HB2 PRO 19 10.218 17.776 -19.457 153 HB3 PRO 19 HB3 PRO 19 11.536 16.880 -18.692 154 HG2 PRO 19 HG2 PRO 19 8.579 16.530 -18.385 155 HG3 PRO 19 HG3 PRO 19 9.839 15.295 -18.562 156 HD2 PRO 19 HD2 PRO 19 8.756 15.938 -16.165 157 HD3 PRO 19 HD3 PRO 19 10.442 15.413 -16.341 158 H GLU 20 H GLU 20 8.204 18.583 -16.537 159 HA GLU 20 HA GLU 20 7.461 20.741 -18.308 160 HB2 GLU 20 HB2 GLU 20 6.093 18.806 -16.656 161 HB3 GLU 20 HB3 GLU 20 5.461 20.420 -16.366 162 HG2 GLU 20 HG2 GLU 20 5.448 20.508 -19.003 163 HG3 GLU 20 HG3 GLU 20 5.368 18.756 -18.820 164 H PHE 21 H PHE 21 8.729 20.406 -15.145 165 HA PHE 21 HA PHE 21 7.719 22.672 -13.868 166 HB2 PHE 21 HB2 PHE 21 9.640 20.708 -13.309 167 HB3 PHE 21 HB3 PHE 21 10.500 22.240 -13.201 168 HD1 PHE 21 HD1 PHE 21 7.236 20.779 -12.130 169 HD2 PHE 21 HD2 PHE 21 10.556 23.256 -11.151 170 HE1 PHE 21 HE1 PHE 21 6.300 21.140 -9.883 171 HE2 PHE 21 HE2 PHE 21 9.626 23.619 -8.902 172 HZ PHE 21 HZ PHE 21 7.496 22.560 -8.266 173 H GLY 22 H GLY 22 10.267 22.321 -16.245 174 HA2 GLY 22 HA2 GLY 22 11.558 23.864 -17.355 175 HA3 GLY 22 HA3 GLY 22 10.163 24.918 -17.185 Start of MODEL 37 1 H1 TRP 1 H TRP 1 0.010 -2.278 1.206 2 HA TRP 1 HA TRP 1 1.276 -3.791 -0.424 3 HB2 TRP 1 HB2 TRP 1 -0.679 -3.234 -2.079 4 HB3 TRP 1 HB3 TRP 1 0.301 -1.822 -2.463 5 HD1 TRP 1 HD1 TRP 1 2.983 -3.949 -1.909 6 HE1 TRP 1 HE1 TRP 1 3.713 -5.286 -3.984 7 HE3 TRP 1 HE3 TRP 1 -1.238 -3.418 -4.743 8 HZ2 TRP 1 HZ2 TRP 1 2.642 -6.018 -6.491 9 HZ3 TRP 1 HZ3 TRP 1 -1.304 -4.467 -6.968 10 HH2 TRP 1 HH2 TRP 1 0.596 -5.739 -7.822 11 H ARG 2 H ARG 2 3.109 -3.060 0.498 12 HA ARG 2 HA ARG 2 3.857 -0.435 0.954 13 HB2 ARG 2 HB2 ARG 2 5.305 -3.021 0.748 14 HB3 ARG 2 HB3 ARG 2 6.274 -1.556 0.672 15 HG2 ARG 2 HG2 ARG 2 5.227 -0.832 2.812 16 HG3 ARG 2 HG3 ARG 2 4.444 -2.411 2.900 17 HD2 ARG 2 HD2 ARG 2 6.373 -3.492 3.410 18 HD3 ARG 2 HD3 ARG 2 7.365 -2.399 2.445 19 HE ARG 2 HE ARG 2 6.695 -2.135 5.234 20 HH11 ARG 2 HH11 ARG 2 7.742 -0.484 2.353 21 HH12 ARG 2 HH12 ARG 2 8.488 0.820 3.214 22 HH21 ARG 2 HH21 ARG 2 7.674 -0.422 6.380 23 HH22 ARG 2 HH22 ARG 2 8.450 0.854 5.505 24 HA PRO 3 HA PRO 3 5.139 1.322 -2.855 25 HB2 PRO 3 HB2 PRO 3 7.362 2.710 -2.145 26 HB3 PRO 3 HB3 PRO 3 5.730 3.206 -1.681 27 HG2 PRO 3 HG2 PRO 3 7.786 1.726 -0.085 28 HG3 PRO 3 HG3 PRO 3 6.719 3.050 0.418 29 HD2 PRO 3 HD2 PRO 3 6.203 0.458 1.008 30 HD3 PRO 3 HD3 PRO 3 4.916 1.648 0.725 31 H TYR 4 H TYR 4 5.777 -0.238 -4.276 32 HA TYR 4 HA TYR 4 8.647 -0.853 -4.335 33 HB2 TYR 4 HB2 TYR 4 7.127 -2.740 -3.384 34 HB3 TYR 4 HB3 TYR 4 6.638 -2.964 -5.060 35 HD1 TYR 4 HD1 TYR 4 9.558 -3.001 -2.779 36 HD2 TYR 4 HD2 TYR 4 8.021 -4.124 -6.584 37 HE1 TYR 4 HE1 TYR 4 11.549 -4.393 -3.166 38 HE2 TYR 4 HE2 TYR 4 10.007 -5.519 -6.981 39 HH TYR 4 HH TYR 4 11.918 -6.650 -4.845 40 H LEU 5 H LEU 5 5.761 -1.696 -6.253 41 HA LEU 5 HA LEU 5 7.153 -1.295 -8.720 42 HB2 LEU 5 HB2 LEU 5 5.380 -2.285 -9.699 43 HB3 LEU 5 HB3 LEU 5 5.052 -2.795 -8.044 44 HG LEU 5 HG LEU 5 3.643 -0.541 -8.036 45 HD11 LEU 5 HD11 LEU 5 3.010 -1.352 -10.806 46 HD12 LEU 5 HD12 LEU 5 4.471 -0.393 -10.573 47 HD13 LEU 5 HD13 LEU 5 2.912 0.230 -10.032 48 HD21 LEU 5 HD21 LEU 5 2.518 -2.969 -9.399 49 HD22 LEU 5 HD22 LEU 5 1.715 -1.852 -8.295 50 HD23 LEU 5 HD23 LEU 5 2.940 -2.966 -7.686 51 H GLN 6 H GLN 6 5.214 0.667 -6.639 52 HA GLN 6 HA GLN 6 4.176 2.569 -8.345 53 HB2 GLN 6 HB2 GLN 6 4.312 2.282 -5.639 54 HB3 GLN 6 HB3 GLN 6 5.373 3.663 -5.886 55 HG2 GLN 6 HG2 GLN 6 3.546 4.914 -5.856 56 HG3 GLN 6 HG3 GLN 6 3.181 4.252 -7.448 57 HE21 GLN 6 HE21 GLN 6 1.320 3.237 -7.684 58 HE22 GLN 6 HE22 GLN 6 0.324 2.637 -6.406 59 H THR 7 H THR 7 7.321 2.774 -6.672 60 HA THR 7 HA THR 7 8.225 5.080 -7.961 61 HB THR 7 HB THR 7 9.288 4.123 -5.938 62 HG1 THR 7 HG1 THR 7 10.403 5.569 -7.506 63 HG21 THR 7 HG21 THR 7 10.229 2.087 -5.863 64 HG22 THR 7 HG22 THR 7 11.034 2.307 -7.416 65 HG23 THR 7 HG23 THR 7 9.354 1.774 -7.361 66 H GLU 8 H GLU 8 8.167 1.760 -9.003 67 HA GLU 8 HA GLU 8 10.077 2.006 -11.095 68 HB2 GLU 8 HB2 GLU 8 8.380 -0.041 -10.017 69 HB3 GLU 8 HB3 GLU 8 8.214 -0.013 -11.767 70 HG2 GLU 8 HG2 GLU 8 10.311 -0.752 -12.118 71 HG3 GLU 8 HG3 GLU 8 10.968 0.116 -10.732 72 H TYR 9 H TYR 9 6.782 2.919 -10.764 73 HA TYR 9 HA TYR 9 6.231 2.998 -13.597 74 HB2 TYR 9 HB2 TYR 9 4.664 2.934 -11.304 75 HB3 TYR 9 HB3 TYR 9 4.437 4.567 -11.921 76 HD1 TYR 9 HD1 TYR 9 4.732 1.166 -13.460 77 HD2 TYR 9 HD2 TYR 9 2.519 4.789 -13.170 78 HE1 TYR 9 HE1 TYR 9 3.125 0.310 -15.114 79 HE2 TYR 9 HE2 TYR 9 0.906 3.943 -14.822 80 HH TYR 9 HH TYR 9 1.452 0.963 -16.565 81 H TYR 10 H TYR 10 7.417 5.153 -11.147 82 HA TYR 10 HA TYR 10 6.863 7.641 -12.205 83 HB2 TYR 10 HB2 TYR 10 9.088 6.547 -10.545 84 HB3 TYR 10 HB3 TYR 10 9.265 8.167 -11.210 85 HD1 TYR 10 HD1 TYR 10 6.973 6.061 -9.169 86 HD2 TYR 10 HD2 TYR 10 8.282 9.993 -10.132 87 HE1 TYR 10 HE1 TYR 10 5.620 6.957 -7.321 88 HE2 TYR 10 HE2 TYR 10 6.934 10.900 -8.286 89 HH TYR 10 HH TYR 10 4.590 9.780 -6.998 90 H ASP 11 H ASP 11 9.364 5.346 -13.135 91 HA ASP 11 HA ASP 11 10.897 6.971 -14.797 92 HB2 ASP 11 HB2 ASP 11 10.305 4.070 -15.373 93 HB3 ASP 11 HB3 ASP 11 11.770 4.973 -15.746 94 H VAL 12 H VAL 12 7.808 5.436 -15.343 95 HA VAL 12 HA VAL 12 7.796 5.894 -18.181 96 HB VAL 12 HB VAL 12 5.454 5.261 -16.381 97 HG11 VAL 12 HG11 VAL 12 4.377 5.773 -18.297 98 HG12 VAL 12 HG12 VAL 12 5.815 5.540 -19.294 99 HG13 VAL 12 HG13 VAL 12 4.875 4.146 -18.760 100 HG21 VAL 12 HG21 VAL 12 6.384 3.264 -16.073 101 HG22 VAL 12 HG22 VAL 12 6.196 2.976 -17.803 102 HG23 VAL 12 HG23 VAL 12 7.704 3.645 -17.179 103 H MET 13 H MET 13 6.961 7.700 -15.365 104 HA MET 13 HA MET 13 5.507 9.676 -16.982 105 HB2 MET 13 HB2 MET 13 4.490 8.735 -14.848 106 HB3 MET 13 HB3 MET 13 5.729 9.625 -13.974 107 HG2 MET 13 HG2 MET 13 4.784 11.623 -15.441 108 HG3 MET 13 HG3 MET 13 3.342 10.610 -15.419 109 HE1 MET 13 HE1 MET 13 5.577 11.637 -11.614 110 HE2 MET 13 HE2 MET 13 6.241 11.379 -13.227 111 HE3 MET 13 HE3 MET 13 5.630 12.969 -12.769 112 H THR 14 H THR 14 8.564 9.084 -16.268 113 HA THR 14 HA THR 14 9.492 11.518 -15.129 114 HB THR 14 HB THR 14 10.754 9.310 -15.208 115 HG1 THR 14 HG1 THR 14 12.399 11.356 -16.215 116 HG21 THR 14 HG21 THR 14 11.883 8.631 -17.109 117 HG22 THR 14 HG22 THR 14 11.817 10.232 -17.846 118 HG23 THR 14 HG23 THR 14 10.370 9.226 -17.792 119 H VAL 15 H VAL 15 8.140 10.894 -18.098 120 HA VAL 15 HA VAL 15 9.737 12.877 -19.537 121 HB VAL 15 HB VAL 15 7.435 11.213 -20.564 122 HG11 VAL 15 HG11 VAL 15 9.264 13.211 -21.773 123 HG12 VAL 15 HG12 VAL 15 8.830 11.804 -22.745 124 HG13 VAL 15 HG13 VAL 15 7.570 12.869 -22.120 125 HG21 VAL 15 HG21 VAL 15 10.301 10.620 -20.205 126 HG22 VAL 15 HG22 VAL 15 8.916 9.530 -20.278 127 HG23 VAL 15 HG23 VAL 15 9.610 10.176 -21.765 128 H ILE 16 H ILE 16 7.469 13.156 -17.352 129 HA ILE 16 HA ILE 16 6.320 15.536 -18.596 130 HB ILE 16 HB ILE 16 4.537 13.631 -17.097 131 HG12 ILE 16 HG12 ILE 16 4.904 13.861 -20.092 132 HG13 ILE 16 HG13 ILE 16 5.349 12.477 -19.101 133 HG21 ILE 16 HG21 ILE 16 3.239 15.296 -19.023 134 HG22 ILE 16 HG22 ILE 16 3.032 15.250 -17.273 135 HG23 ILE 16 HG23 ILE 16 4.266 16.288 -17.988 136 HD11 ILE 16 HD11 ILE 16 2.570 13.504 -19.616 137 HD12 ILE 16 HD12 ILE 16 3.291 12.021 -20.241 138 HD13 ILE 16 HD13 ILE 16 2.970 12.186 -18.515 139 H SER 17 H SER 17 7.956 14.231 -16.121 140 HA SER 17 HA SER 17 6.742 15.897 -14.037 141 HB2 SER 17 HB2 SER 17 8.941 14.516 -12.959 142 HB3 SER 17 HB3 SER 17 7.233 14.134 -12.742 143 HG SER 17 HG SER 17 7.349 12.638 -14.306 144 HA PRO 18 HA PRO 18 11.300 17.432 -13.922 145 HB2 PRO 18 HB2 PRO 18 13.058 16.354 -15.688 146 HB3 PRO 18 HB3 PRO 18 12.750 15.658 -14.093 147 HG2 PRO 18 HG2 PRO 18 11.652 14.847 -16.757 148 HG3 PRO 18 HG3 PRO 18 12.252 13.827 -15.437 149 HD2 PRO 18 HD2 PRO 18 9.612 14.245 -15.870 150 HD3 PRO 18 HD3 PRO 18 10.285 13.992 -14.247 151 HA PRO 19 HA PRO 19 11.136 18.629 -18.661 152 HB2 PRO 19 HB2 PRO 19 8.801 17.940 -19.861 153 HB3 PRO 19 HB3 PRO 19 10.233 16.905 -19.882 154 HG2 PRO 19 HG2 PRO 19 7.813 16.756 -18.126 155 HG3 PRO 19 HG3 PRO 19 8.691 15.445 -18.935 156 HD2 PRO 19 HD2 PRO 19 9.025 16.020 -16.310 157 HD3 PRO 19 HD3 PRO 19 10.337 15.383 -17.323 158 H GLU 20 H GLU 20 8.612 18.715 -16.313 159 HA GLU 20 HA GLU 20 7.287 21.025 -17.432 160 HB2 GLU 20 HB2 GLU 20 6.759 19.100 -15.344 161 HB3 GLU 20 HB3 GLU 20 6.514 20.736 -14.750 162 HG2 GLU 20 HG2 GLU 20 5.131 21.067 -16.900 163 HG3 GLU 20 HG3 GLU 20 5.107 19.305 -16.964 164 H PHE 21 H PHE 21 9.940 20.410 -15.360 165 HA PHE 21 HA PHE 21 9.926 22.663 -13.710 166 HB2 PHE 21 HB2 PHE 21 11.674 20.532 -14.234 167 HB3 PHE 21 HB3 PHE 21 12.610 21.990 -14.549 168 HD1 PHE 21 HD1 PHE 21 10.202 20.707 -12.000 169 HD2 PHE 21 HD2 PHE 21 13.785 22.864 -12.791 170 HE1 PHE 21 HE1 PHE 21 10.559 20.994 -9.583 171 HE2 PHE 21 HE2 PHE 21 14.148 23.154 -10.375 172 HZ PHE 21 HZ PHE 21 12.535 22.217 -8.767 173 H GLY 22 H GLY 22 10.914 22.263 -17.051 174 HA2 GLY 22 HA2 GLY 22 11.612 23.770 -18.638 175 HA3 GLY 22 HA3 GLY 22 10.582 24.908 -17.782 Start of MODEL 38 1 H1 TRP 1 H TRP 1 2.829 2.152 0.362 2 HA TRP 1 HA TRP 1 3.088 1.033 2.763 3 HB2 TRP 1 HB2 TRP 1 0.883 -0.419 1.301 4 HB3 TRP 1 HB3 TRP 1 1.805 -1.159 2.606 5 HD1 TRP 1 HD1 TRP 1 1.737 2.004 4.016 6 HE1 TRP 1 HE1 TRP 1 -0.344 2.473 5.457 7 HE3 TRP 1 HE3 TRP 1 -1.317 -1.703 2.264 8 HZ2 TRP 1 HZ2 TRP 1 -2.937 1.413 5.804 9 HZ3 TRP 1 HZ3 TRP 1 -3.582 -1.908 3.203 10 HH2 TRP 1 HH2 TRP 1 -4.373 -0.381 4.937 11 H ARG 2 H ARG 2 5.173 0.907 1.932 12 HA ARG 2 HA ARG 2 6.979 -0.007 0.889 13 HB2 ARG 2 HB2 ARG 2 5.986 -1.944 2.284 14 HB3 ARG 2 HB3 ARG 2 5.437 -2.582 0.740 15 HG2 ARG 2 HG2 ARG 2 7.408 -3.603 0.632 16 HG3 ARG 2 HG3 ARG 2 8.084 -2.014 0.266 17 HD2 ARG 2 HD2 ARG 2 8.755 -1.663 2.480 18 HD3 ARG 2 HD3 ARG 2 7.697 -2.932 3.095 19 HE ARG 2 HE ARG 2 10.349 -3.249 2.031 20 HH11 ARG 2 HH11 ARG 2 7.303 -4.816 2.654 21 HH12 ARG 2 HH12 ARG 2 7.983 -6.409 2.698 22 HH21 ARG 2 HH21 ARG 2 11.256 -5.341 2.087 23 HH22 ARG 2 HH22 ARG 2 10.232 -6.706 2.377 24 HA PRO 3 HA PRO 3 4.943 0.336 -3.275 25 HB2 PRO 3 HB2 PRO 3 6.498 2.392 -4.128 26 HB3 PRO 3 HB3 PRO 3 5.009 2.632 -3.207 27 HG2 PRO 3 HG2 PRO 3 7.848 2.653 -2.258 28 HG3 PRO 3 HG3 PRO 3 6.519 3.748 -1.835 29 HD2 PRO 3 HD2 PRO 3 7.303 1.719 -0.223 30 HD3 PRO 3 HD3 PRO 3 5.618 2.271 -0.313 31 H TYR 4 H TYR 4 5.693 -0.642 -5.086 32 HA TYR 4 HA TYR 4 8.583 -1.101 -5.338 33 HB2 TYR 4 HB2 TYR 4 7.127 -3.078 -4.379 34 HB3 TYR 4 HB3 TYR 4 6.691 -3.300 -6.069 35 HD1 TYR 4 HD1 TYR 4 8.359 -4.010 -7.703 36 HD2 TYR 4 HD2 TYR 4 9.370 -3.544 -3.596 37 HE1 TYR 4 HE1 TYR 4 10.434 -5.275 -8.077 38 HE2 TYR 4 HE2 TYR 4 11.449 -4.807 -3.959 39 HH TYR 4 HH TYR 4 12.971 -5.217 -6.286 40 H LEU 5 H LEU 5 5.590 -1.944 -7.089 41 HA LEU 5 HA LEU 5 6.840 -1.400 -9.625 42 HB2 LEU 5 HB2 LEU 5 5.104 -2.501 -10.550 43 HB3 LEU 5 HB3 LEU 5 4.908 -3.095 -8.902 44 HG LEU 5 HG LEU 5 3.324 -0.966 -8.735 45 HD11 LEU 5 HD11 LEU 5 2.448 -0.176 -10.657 46 HD12 LEU 5 HD12 LEU 5 2.581 -1.727 -11.485 47 HD13 LEU 5 HD13 LEU 5 4.000 -0.693 -11.318 48 HD21 LEU 5 HD21 LEU 5 1.484 -2.425 -8.992 49 HD22 LEU 5 HD22 LEU 5 2.816 -3.421 -8.404 50 HD23 LEU 5 HD23 LEU 5 2.368 -3.464 -10.110 51 H GLN 6 H GLN 6 4.871 0.317 -7.365 52 HA GLN 6 HA GLN 6 3.586 2.185 -8.936 53 HB2 GLN 6 HB2 GLN 6 3.940 1.815 -6.242 54 HB3 GLN 6 HB3 GLN 6 4.802 3.322 -6.519 55 HG2 GLN 6 HG2 GLN 6 2.898 4.436 -6.569 56 HG3 GLN 6 HG3 GLN 6 2.314 3.431 -7.894 57 HE21 GLN 6 HE21 GLN 6 0.455 2.497 -7.493 58 HE22 GLN 6 HE22 GLN 6 -0.118 1.973 -5.950 59 H THR 7 H THR 7 6.863 2.417 -7.565 60 HA THR 7 HA THR 7 7.483 4.896 -8.777 61 HB THR 7 HB THR 7 8.723 4.031 -6.832 62 HG1 THR 7 HG1 THR 7 10.676 4.816 -7.534 63 HG21 THR 7 HG21 THR 7 8.846 1.670 -8.230 64 HG22 THR 7 HG22 THR 7 9.786 2.055 -6.788 65 HG23 THR 7 HG23 THR 7 10.487 2.295 -8.388 66 H GLU 8 H GLU 8 7.753 1.574 -9.841 67 HA GLU 8 HA GLU 8 9.543 1.867 -11.954 68 HB2 GLU 8 HB2 GLU 8 7.693 -0.119 -11.028 69 HB3 GLU 8 HB3 GLU 8 7.554 0.027 -12.774 70 HG2 GLU 8 HG2 GLU 8 9.174 -1.583 -12.556 71 HG3 GLU 8 HG3 GLU 8 10.139 -0.119 -12.742 72 H TYR 9 H TYR 9 6.236 2.855 -11.657 73 HA TYR 9 HA TYR 9 5.832 3.220 -14.491 74 HB2 TYR 9 HB2 TYR 9 4.199 3.255 -12.111 75 HB3 TYR 9 HB3 TYR 9 3.886 4.685 -13.089 76 HD1 TYR 9 HD2 TYR 9 4.448 1.032 -13.691 77 HD2 TYR 9 HD1 TYR 9 2.125 4.490 -14.553 78 HE1 TYR 9 HE2 TYR 9 3.019 -0.307 -15.179 79 HE2 TYR 9 HE1 TYR 9 0.688 3.161 -16.043 80 HH TYR 9 HH TYR 9 1.514 0.087 -17.131 81 H TYR 10 H TYR 10 6.381 5.299 -11.673 82 HA TYR 10 HA TYR 10 6.203 7.765 -12.993 83 HB2 TYR 10 HB2 TYR 10 7.896 7.069 -10.584 84 HB3 TYR 10 HB3 TYR 10 7.405 8.687 -11.073 85 HD1 TYR 10 HD1 TYR 10 4.562 8.219 -11.768 86 HD2 TYR 10 HD2 TYR 10 6.878 6.782 -8.501 87 HE1 TYR 10 HE1 TYR 10 2.516 8.009 -10.418 88 HE2 TYR 10 HE2 TYR 10 4.839 6.566 -7.143 89 HH TYR 10 HH TYR 10 1.852 6.469 -8.311 90 H ASP 11 H ASP 11 8.750 5.409 -12.834 91 HA ASP 11 HA ASP 11 10.889 7.092 -13.636 92 HB2 ASP 11 HB2 ASP 11 10.433 4.156 -13.447 93 HB3 ASP 11 HB3 ASP 11 11.761 4.709 -14.464 94 H VAL 12 H VAL 12 8.349 5.458 -15.344 95 HA VAL 12 HA VAL 12 9.617 5.732 -17.932 96 HB VAL 12 HB VAL 12 6.774 4.941 -17.287 97 HG11 VAL 12 HG11 VAL 12 6.972 3.846 -19.566 98 HG12 VAL 12 HG12 VAL 12 6.864 5.607 -19.549 99 HG13 VAL 12 HG13 VAL 12 8.424 4.820 -19.798 100 HG21 VAL 12 HG21 VAL 12 9.218 3.537 -16.869 101 HG22 VAL 12 HG22 VAL 12 7.566 2.988 -16.587 102 HG23 VAL 12 HG23 VAL 12 8.320 2.741 -18.162 103 H MET 13 H MET 13 7.457 7.532 -15.919 104 HA MET 13 HA MET 13 6.805 9.337 -18.145 105 HB2 MET 13 HB2 MET 13 4.961 8.341 -16.703 106 HB3 MET 13 HB3 MET 13 5.563 9.353 -15.397 107 HG2 MET 13 HG2 MET 13 5.295 11.234 -17.247 108 HG3 MET 13 HG3 MET 13 4.095 10.096 -17.855 109 HE1 MET 13 HE1 MET 13 4.161 11.372 -13.509 110 HE2 MET 13 HE2 MET 13 5.531 11.157 -14.599 111 HE3 MET 13 HE3 MET 13 4.660 12.691 -14.569 112 H THR 14 H THR 14 9.180 9.034 -16.030 113 HA THR 14 HA THR 14 9.272 11.558 -14.727 114 HB THR 14 HB THR 14 10.572 9.477 -14.065 115 HG1 THR 14 HG1 THR 14 10.983 11.785 -13.407 116 HG21 THR 14 HG21 THR 14 12.604 10.459 -16.054 117 HG22 THR 14 HG22 THR 14 11.463 9.170 -16.441 118 HG23 THR 14 HG23 THR 14 12.613 8.963 -15.121 119 H VAL 15 H VAL 15 9.556 10.770 -17.941 120 HA VAL 15 HA VAL 15 11.500 12.867 -18.557 121 HB VAL 15 HB VAL 15 10.096 10.987 -20.460 122 HG11 VAL 15 HG11 VAL 15 12.318 11.665 -21.744 123 HG12 VAL 15 HG12 VAL 15 10.843 12.627 -21.853 124 HG13 VAL 15 HG13 VAL 15 12.139 13.118 -20.762 125 HG21 VAL 15 HG21 VAL 15 12.423 9.908 -20.496 126 HG22 VAL 15 HG22 VAL 15 12.691 10.751 -18.970 127 HG23 VAL 15 HG23 VAL 15 11.384 9.576 -19.110 128 H ILE 16 H ILE 16 8.449 12.974 -17.733 129 HA ILE 16 HA ILE 16 7.868 15.221 -19.507 130 HB ILE 16 HB ILE 16 5.727 13.186 -18.930 131 HG12 ILE 16 HG12 ILE 16 7.466 13.401 -21.398 132 HG13 ILE 16 HG13 ILE 16 7.478 12.078 -20.237 133 HG21 ILE 16 HG21 ILE 16 4.381 14.672 -19.879 134 HG22 ILE 16 HG22 ILE 16 5.736 15.793 -20.004 135 HG23 ILE 16 HG23 ILE 16 5.381 14.687 -21.332 136 HD11 ILE 16 HD11 ILE 16 5.114 11.616 -20.837 137 HD12 ILE 16 HD12 ILE 16 5.248 12.839 -22.102 138 HD13 ILE 16 HD13 ILE 16 6.255 11.393 -22.163 139 H SER 17 H SER 17 8.208 14.107 -16.482 140 HA SER 17 HA SER 17 6.030 15.689 -15.324 141 HB2 SER 17 HB2 SER 17 7.537 14.529 -13.254 142 HB3 SER 17 HB3 SER 17 5.966 13.998 -13.853 143 HG SER 17 HG SER 17 6.924 12.496 -15.091 144 HA PRO 18 HA PRO 18 9.854 17.629 -13.144 145 HB2 PRO 18 HB2 PRO 18 12.314 16.687 -13.799 146 HB3 PRO 18 HB3 PRO 18 11.332 15.991 -12.505 147 HG2 PRO 18 HG2 PRO 18 11.703 15.044 -15.320 148 HG3 PRO 18 HG3 PRO 18 11.671 14.102 -13.818 149 HD2 PRO 18 HD2 PRO 18 9.537 14.274 -15.476 150 HD3 PRO 18 HD3 PRO 18 9.368 14.107 -13.717 151 HA PRO 19 HA PRO 19 11.892 18.735 -17.450 152 HB2 PRO 19 HB2 PRO 19 10.472 17.819 -19.575 153 HB3 PRO 19 HB3 PRO 19 11.810 16.917 -18.853 154 HG2 PRO 19 HG2 PRO 19 8.863 16.577 -18.454 155 HG3 PRO 19 HG3 PRO 19 10.112 15.338 -18.673 156 HD2 PRO 19 HD2 PRO 19 9.107 15.981 -16.242 157 HD3 PRO 19 HD3 PRO 19 10.786 15.450 -16.471 158 H GLU 20 H GLU 20 8.549 18.622 -16.602 159 HA GLU 20 HA GLU 20 7.767 20.796 -18.339 160 HB2 GLU 20 HB2 GLU 20 6.063 19.205 -17.909 161 HB3 GLU 20 HB3 GLU 20 6.353 19.250 -16.176 162 HG2 GLU 20 HG2 GLU 20 5.485 21.742 -17.545 163 HG3 GLU 20 HG3 GLU 20 4.299 20.474 -17.245 164 H PHE 21 H PHE 21 9.092 20.424 -15.199 165 HA PHE 21 HA PHE 21 8.118 22.690 -13.892 166 HB2 PHE 21 HB2 PHE 21 10.050 20.708 -13.388 167 HB3 PHE 21 HB3 PHE 21 10.896 22.246 -13.249 168 HD1 PHE 21 HD1 PHE 21 9.007 24.042 -12.086 169 HD2 PHE 21 HD2 PHE 21 9.594 19.903 -11.290 170 HE1 PHE 21 HE1 PHE 21 8.080 24.349 -9.828 171 HE2 PHE 21 HE2 PHE 21 8.667 20.202 -9.031 172 HZ PHE 21 HZ PHE 21 7.907 22.427 -8.297 173 H GLY 22 H GLY 22 10.626 22.333 -16.309 174 HA2 GLY 22 HA2 GLY 22 11.915 23.871 -17.428 175 HA3 GLY 22 HA3 GLY 22 10.535 24.940 -17.224 Start of MODEL 39 1 H1 TRP 1 H TRP 1 1.130 -2.468 3.087 2 HA TRP 1 HA TRP 1 3.528 -1.543 3.704 3 HB2 TRP 1 HB2 TRP 1 2.916 -3.406 1.406 4 HB3 TRP 1 HB3 TRP 1 4.544 -3.134 2.023 5 HD1 TRP 1 HD1 TRP 1 2.999 -3.023 5.122 6 HE1 TRP 1 HE1 TRP 1 2.722 -5.322 6.247 7 HE3 TRP 1 HE3 TRP 1 3.616 -6.012 1.021 8 HZ2 TRP 1 HZ2 TRP 1 2.761 -8.042 5.494 9 HZ3 TRP 1 HZ3 TRP 1 3.483 -8.452 1.309 10 HH2 TRP 1 HH2 TRP 1 3.064 -9.444 3.500 11 H ARG 2 H ARG 2 5.453 -0.876 2.461 12 HA ARG 2 HA ARG 2 5.113 1.537 1.169 13 HB2 ARG 2 HB2 ARG 2 7.467 1.093 0.253 14 HB3 ARG 2 HB3 ARG 2 7.262 1.095 2.000 15 HG2 ARG 2 HG2 ARG 2 7.735 -1.103 2.198 16 HG3 ARG 2 HG3 ARG 2 6.980 -1.516 0.657 17 HD2 ARG 2 HD2 ARG 2 8.872 -0.895 -0.568 18 HD3 ARG 2 HD3 ARG 2 9.542 0.037 0.770 19 HE ARG 2 HE ARG 2 9.302 -2.739 1.396 20 HH11 ARG 2 HH11 ARG 2 11.274 -0.385 -0.245 21 HH12 ARG 2 HH12 ARG 2 12.731 -1.311 -0.098 22 HH21 ARG 2 HH21 ARG 2 11.214 -3.967 1.596 23 HH22 ARG 2 HH22 ARG 2 12.696 -3.349 0.949 24 HA PRO 3 HA PRO 3 3.941 0.734 -2.983 25 HB2 PRO 3 HB2 PRO 3 5.303 2.663 -4.323 26 HB3 PRO 3 HB3 PRO 3 3.906 3.010 -3.297 27 HG2 PRO 3 HG2 PRO 3 6.823 3.272 -2.678 28 HG3 PRO 3 HG3 PRO 3 5.494 4.383 -2.298 29 HD2 PRO 3 HD2 PRO 3 6.533 2.676 -0.471 30 HD3 PRO 3 HD3 PRO 3 4.824 3.155 -0.467 31 H TYR 4 H TYR 4 4.616 -0.177 -4.946 32 HA TYR 4 HA TYR 4 7.468 -0.838 -5.181 33 HB2 TYR 4 HB2 TYR 4 5.871 -2.695 -4.200 34 HB3 TYR 4 HB3 TYR 4 5.438 -2.915 -5.891 35 HD1 TYR 4 HD1 TYR 4 8.306 -2.929 -3.537 36 HD2 TYR 4 HD2 TYR 4 6.836 -4.127 -7.345 37 HE1 TYR 4 HE1 TYR 4 10.300 -4.333 -3.858 38 HE2 TYR 4 HE2 TYR 4 8.824 -5.535 -7.677 39 HH TYR 4 HH TYR 4 11.147 -5.663 -6.853 40 H LEU 5 H LEU 5 4.426 -1.494 -6.927 41 HA LEU 5 HA LEU 5 5.718 -1.069 -9.467 42 HB2 LEU 5 HB2 LEU 5 3.921 -2.074 -10.385 43 HB3 LEU 5 HB3 LEU 5 3.684 -2.633 -8.730 44 HG LEU 5 HG LEU 5 2.233 -0.408 -8.597 45 HD11 LEU 5 HD11 LEU 5 1.451 -1.158 -11.339 46 HD12 LEU 5 HD12 LEU 5 2.932 -0.215 -11.183 47 HD13 LEU 5 HD13 LEU 5 1.417 0.411 -10.533 48 HD21 LEU 5 HD21 LEU 5 0.298 -1.757 -8.883 49 HD22 LEU 5 HD22 LEU 5 1.554 -2.797 -8.211 50 HD23 LEU 5 HD23 LEU 5 1.159 -2.886 -9.929 51 H GLN 6 H GLN 6 3.851 0.794 -7.238 52 HA GLN 6 HA GLN 6 2.688 2.717 -8.838 53 HB2 GLN 6 HB2 GLN 6 3.960 2.993 -6.114 54 HB3 GLN 6 HB3 GLN 6 3.011 4.264 -6.875 55 HG2 GLN 6 HG2 GLN 6 1.611 1.732 -6.867 56 HG3 GLN 6 HG3 GLN 6 2.071 2.242 -5.243 57 HE21 GLN 6 HE21 GLN 6 0.041 2.816 -7.948 58 HE22 GLN 6 HE22 GLN 6 -0.887 4.101 -7.261 59 H THR 7 H THR 7 5.978 2.730 -7.485 60 HA THR 7 HA THR 7 6.751 5.163 -8.718 61 HB THR 7 HB THR 7 7.925 4.251 -6.752 62 HG1 THR 7 HG1 THR 7 10.055 4.671 -7.586 63 HG21 THR 7 HG21 THR 7 8.873 2.216 -6.677 64 HG22 THR 7 HG22 THR 7 9.588 2.392 -8.280 65 HG23 THR 7 HG23 THR 7 7.912 1.869 -8.115 66 H GLU 8 H GLU 8 6.813 1.816 -9.731 67 HA GLU 8 HA GLU 8 8.632 1.941 -11.828 68 HB2 GLU 8 HB2 GLU 8 6.644 0.115 -10.891 69 HB3 GLU 8 HB3 GLU 8 6.478 0.270 -12.635 70 HG2 GLU 8 HG2 GLU 8 7.947 -1.539 -12.216 71 HG3 GLU 8 HG3 GLU 8 8.918 -0.204 -12.835 72 H TYR 9 H TYR 9 5.391 3.165 -11.598 73 HA TYR 9 HA TYR 9 5.083 3.555 -14.440 74 HB2 TYR 9 HB2 TYR 9 3.400 3.710 -12.097 75 HB3 TYR 9 HB3 TYR 9 3.202 5.146 -13.094 76 HD1 TYR 9 HD2 TYR 9 3.653 1.494 -13.787 77 HD2 TYR 9 HD1 TYR 9 1.359 5.013 -14.463 78 HE1 TYR 9 HE2 TYR 9 2.177 0.235 -15.299 79 HE2 TYR 9 HE1 TYR 9 -0.124 3.763 -15.975 80 HH TYR 9 HH TYR 9 0.212 0.279 -16.413 81 H TYR 10 H TYR 10 5.697 5.595 -11.606 82 HA TYR 10 HA TYR 10 5.736 8.059 -12.961 83 HB2 TYR 10 HB2 TYR 10 7.272 7.322 -10.462 84 HB3 TYR 10 HB3 TYR 10 6.829 8.944 -10.983 85 HD1 TYR 10 HD1 TYR 10 4.012 8.531 -11.790 86 HD2 TYR 10 HD2 TYR 10 6.159 7.054 -8.428 87 HE1 TYR 10 HE1 TYR 10 1.908 8.365 -10.528 88 HE2 TYR 10 HE2 TYR 10 4.061 6.882 -7.156 89 HH TYR 10 HH TYR 10 1.811 7.879 -7.175 90 H ASP 11 H ASP 11 8.103 5.540 -12.626 91 HA ASP 11 HA ASP 11 10.398 7.060 -13.308 92 HB2 ASP 11 HB2 ASP 11 10.182 4.659 -12.278 93 HB3 ASP 11 HB3 ASP 11 10.164 4.145 -13.963 94 H VAL 12 H VAL 12 7.874 5.552 -15.166 95 HA VAL 12 HA VAL 12 9.303 5.727 -17.671 96 HB VAL 12 HB VAL 12 6.385 5.137 -17.153 97 HG11 VAL 12 HG11 VAL 12 6.573 5.857 -19.392 98 HG12 VAL 12 HG12 VAL 12 8.083 4.974 -19.630 99 HG13 VAL 12 HG13 VAL 12 6.563 4.095 -19.456 100 HG21 VAL 12 HG21 VAL 12 8.748 3.311 -17.561 101 HG22 VAL 12 HG22 VAL 12 7.751 3.457 -16.114 102 HG23 VAL 12 HG23 VAL 12 7.066 2.783 -17.592 103 H MET 13 H MET 13 7.176 7.711 -15.803 104 HA MET 13 HA MET 13 6.805 9.540 -18.074 105 HB2 MET 13 HB2 MET 13 4.803 8.706 -16.745 106 HB3 MET 13 HB3 MET 13 5.402 9.680 -15.409 107 HG2 MET 13 HG2 MET 13 5.397 11.558 -17.282 108 HG3 MET 13 HG3 MET 13 4.151 10.511 -17.958 109 HE1 MET 13 HE1 MET 13 5.460 11.489 -14.621 110 HE2 MET 13 HE2 MET 13 4.718 13.089 -14.664 111 HE3 MET 13 HE3 MET 13 4.045 11.832 -13.624 112 H THR 14 H THR 14 9.014 9.072 -15.814 113 HA THR 14 HA THR 14 9.224 11.595 -14.521 114 HB THR 14 HB THR 14 10.310 9.426 -13.764 115 HG1 THR 14 HG1 THR 14 10.868 11.706 -13.104 116 HG21 THR 14 HG21 THR 14 12.568 10.204 -15.582 117 HG22 THR 14 HG22 THR 14 11.324 9.071 -16.110 118 HG23 THR 14 HG23 THR 14 12.320 8.695 -14.704 119 H VAL 15 H VAL 15 9.644 10.752 -17.706 120 HA VAL 15 HA VAL 15 11.784 12.682 -18.210 121 HB VAL 15 HB VAL 15 10.357 10.899 -20.187 122 HG11 VAL 15 HG11 VAL 15 12.574 12.862 -20.372 123 HG12 VAL 15 HG12 VAL 15 12.703 11.387 -21.332 124 HG13 VAL 15 HG13 VAL 15 11.317 12.458 -21.541 125 HG21 VAL 15 HG21 VAL 15 12.340 10.279 -18.201 126 HG22 VAL 15 HG22 VAL 15 11.520 9.205 -19.334 127 HG23 VAL 15 HG23 VAL 15 12.998 10.036 -19.819 128 H ILE 16 H ILE 16 8.706 13.039 -17.581 129 HA ILE 16 HA ILE 16 8.418 15.306 -19.400 130 HB ILE 16 HB ILE 16 6.090 13.453 -18.949 131 HG12 ILE 16 HG12 ILE 16 7.990 13.505 -21.304 132 HG13 ILE 16 HG13 ILE 16 7.828 12.198 -20.137 133 HG21 ILE 16 HG21 ILE 16 4.922 15.007 -20.018 134 HG22 ILE 16 HG22 ILE 16 6.349 16.041 -20.005 135 HG23 ILE 16 HG23 ILE 16 6.047 14.974 -21.376 136 HD11 ILE 16 HD11 ILE 16 5.731 13.121 -22.086 137 HD12 ILE 16 HD12 ILE 16 6.685 11.640 -22.182 138 HD13 ILE 16 HD13 ILE 16 5.514 11.853 -20.880 139 H SER 17 H SER 17 8.479 14.201 -16.354 140 HA SER 17 HA SER 17 6.365 15.962 -15.345 141 HB2 SER 17 HB2 SER 17 7.642 14.709 -13.177 142 HB3 SER 17 HB3 SER 17 6.075 14.297 -13.872 143 HG SER 17 HG SER 17 6.985 12.708 -15.031 144 HA PRO 18 HA PRO 18 10.186 17.618 -12.938 145 HB2 PRO 18 HB2 PRO 18 12.600 16.477 -13.428 146 HB3 PRO 18 HB3 PRO 18 11.486 15.875 -12.196 147 HG2 PRO 18 HG2 PRO 18 11.957 14.870 -14.976 148 HG3 PRO 18 HG3 PRO 18 11.755 13.951 -13.473 149 HD2 PRO 18 HD2 PRO 18 9.751 14.273 -15.265 150 HD3 PRO 18 HD3 PRO 18 9.458 14.139 -13.519 151 HA PRO 19 HA PRO 19 12.573 18.511 -17.112 152 HB2 PRO 19 HB2 PRO 19 11.221 17.688 -19.318 153 HB3 PRO 19 HB3 PRO 19 12.435 16.690 -18.507 154 HG2 PRO 19 HG2 PRO 19 9.450 16.590 -18.294 155 HG3 PRO 19 HG3 PRO 19 10.608 15.253 -18.425 156 HD2 PRO 19 HD2 PRO 19 9.507 16.000 -16.067 157 HD3 PRO 19 HD3 PRO 19 11.149 15.335 -16.186 158 H GLU 20 H GLU 20 9.191 18.681 -16.465 159 HA GLU 20 HA GLU 20 8.686 20.881 -18.269 160 HB2 GLU 20 HB2 GLU 20 7.110 19.078 -16.651 161 HB3 GLU 20 HB3 GLU 20 6.606 20.742 -16.391 162 HG2 GLU 20 HG2 GLU 20 6.676 20.815 -19.022 163 HG3 GLU 20 HG3 GLU 20 6.462 19.075 -18.842 164 H PHE 21 H PHE 21 9.843 20.468 -15.077 165 HA PHE 21 HA PHE 21 8.980 22.827 -13.847 166 HB2 PHE 21 HB2 PHE 21 10.708 20.703 -13.210 167 HB3 PHE 21 HB3 PHE 21 11.678 22.164 -13.060 168 HD1 PHE 21 HD1 PHE 21 8.258 20.975 -12.147 169 HD2 PHE 21 HD2 PHE 21 11.727 23.160 -11.000 170 HE1 PHE 21 HE1 PHE 21 7.252 21.409 -9.944 171 HE2 PHE 21 HE2 PHE 21 10.727 23.596 -8.795 172 HZ PHE 21 HZ PHE 21 8.487 22.720 -8.264 173 H GLY 22 H GLY 22 11.388 22.271 -16.275 174 HA2 GLY 22 HA2 GLY 22 13.086 24.432 -15.977 175 HA3 GLY 22 HA3 GLY 22 12.634 23.739 -17.528 Start of MODEL 40 1 H1 TRP 1 H TRP 1 5.493 4.706 2.743 2 HA TRP 1 HA TRP 1 5.067 3.102 0.980 3 HB2 TRP 1 HB2 TRP 1 4.469 5.670 0.700 4 HB3 TRP 1 HB3 TRP 1 5.651 5.566 -0.602 5 HD1 TRP 1 HD1 TRP 1 4.445 2.339 -0.991 6 HE1 TRP 1 HE1 TRP 1 2.400 2.158 -2.543 7 HE3 TRP 1 HE3 TRP 1 2.963 7.231 -0.954 8 HZ2 TRP 1 HZ2 TRP 1 0.421 3.864 -3.611 9 HZ3 TRP 1 HZ3 TRP 1 0.984 7.874 -2.267 10 HH2 TRP 1 HH2 TRP 1 -0.259 6.224 -3.569 11 H ARG 2 H ARG 2 6.722 1.608 0.730 12 HA ARG 2 HA ARG 2 8.816 2.350 -1.207 13 HB2 ARG 2 HB2 ARG 2 10.149 0.485 -0.191 14 HB3 ARG 2 HB3 ARG 2 9.860 1.845 0.885 15 HG2 ARG 2 HG2 ARG 2 7.905 -0.362 1.009 16 HG3 ARG 2 HG3 ARG 2 9.528 -0.704 1.612 17 HD2 ARG 2 HD2 ARG 2 9.261 1.522 2.899 18 HD3 ARG 2 HD3 ARG 2 7.540 1.318 2.575 19 HE ARG 2 HE ARG 2 8.526 -1.066 3.658 20 HH11 ARG 2 HH11 ARG 2 7.943 2.236 4.596 21 HH12 ARG 2 HH12 ARG 2 7.672 1.851 6.263 22 HH21 ARG 2 HH21 ARG 2 8.171 -1.585 5.851 23 HH22 ARG 2 HH22 ARG 2 7.803 -0.322 6.976 24 HA PRO 3 HA PRO 3 6.055 -0.846 -3.153 25 HB2 PRO 3 HB2 PRO 3 5.871 0.425 -5.544 26 HB3 PRO 3 HB3 PRO 3 4.785 0.763 -4.191 27 HG2 PRO 3 HG2 PRO 3 7.206 2.272 -5.100 28 HG3 PRO 3 HG3 PRO 3 5.631 2.895 -4.575 29 HD2 PRO 3 HD2 PRO 3 7.798 2.858 -2.952 30 HD3 PRO 3 HD3 PRO 3 6.143 2.661 -2.340 31 H TYR 4 H TYR 4 6.426 -1.608 -5.632 32 HA TYR 4 HA TYR 4 9.319 -1.804 -6.102 33 HB2 TYR 4 HB2 TYR 4 7.437 -4.163 -6.262 34 HB3 TYR 4 HB3 TYR 4 9.185 -4.183 -6.463 35 HD1 TYR 4 HD1 TYR 4 10.584 -3.407 -4.411 36 HD2 TYR 4 HD2 TYR 4 6.516 -4.633 -4.181 37 HE1 TYR 4 HE1 TYR 4 10.861 -3.853 -2.008 38 HE2 TYR 4 HE2 TYR 4 6.781 -5.081 -1.778 39 HH TYR 4 HH TYR 4 9.541 -5.522 -0.283 40 H LEU 5 H LEU 5 6.300 -3.059 -7.532 41 HA LEU 5 HA LEU 5 7.284 -2.586 -10.195 42 HB2 LEU 5 HB2 LEU 5 5.604 -3.915 -10.893 43 HB3 LEU 5 HB3 LEU 5 5.597 -4.400 -9.199 44 HG LEU 5 HG LEU 5 3.822 -2.426 -9.041 45 HD11 LEU 5 HD11 LEU 5 2.944 -3.456 -11.659 46 HD12 LEU 5 HD12 LEU 5 4.266 -2.291 -11.688 47 HD13 LEU 5 HD13 LEU 5 2.731 -1.864 -10.931 48 HD21 LEU 5 HD21 LEU 5 3.568 -4.858 -8.476 49 HD22 LEU 5 HD22 LEU 5 3.063 -5.124 -10.146 50 HD23 LEU 5 HD23 LEU 5 2.111 -4.077 -9.092 51 H GLN 6 H GLN 6 5.335 -0.904 -7.894 52 HA GLN 6 HA GLN 6 3.770 0.718 -9.506 53 HB2 GLN 6 HB2 GLN 6 4.073 0.514 -6.865 54 HB3 GLN 6 HB3 GLN 6 5.052 1.952 -7.121 55 HG2 GLN 6 HG2 GLN 6 3.206 3.160 -7.081 56 HG3 GLN 6 HG3 GLN 6 2.694 2.367 -8.569 57 HE21 GLN 6 HE21 GLN 6 0.875 1.250 -8.514 58 HE22 GLN 6 HE22 GLN 6 0.060 0.713 -7.089 59 H THR 7 H THR 7 7.024 1.430 -8.236 60 HA THR 7 HA THR 7 7.371 3.874 -9.547 61 HB THR 7 HB THR 7 8.836 3.088 -7.719 62 HG1 THR 7 HG1 THR 7 9.483 4.609 -9.583 63 HG21 THR 7 HG21 THR 7 9.046 0.770 -9.161 64 HG22 THR 7 HG22 THR 7 10.092 1.227 -7.818 65 HG23 THR 7 HG23 THR 7 10.597 1.545 -9.477 66 H GLU 8 H GLU 8 7.785 0.587 -10.662 67 HA GLU 8 HA GLU 8 9.375 0.989 -12.904 68 HB2 GLU 8 HB2 GLU 8 7.840 -1.116 -11.824 69 HB3 GLU 8 HB3 GLU 8 7.311 -0.928 -13.490 70 HG2 GLU 8 HG2 GLU 8 9.230 -1.717 -14.326 71 HG3 GLU 8 HG3 GLU 8 10.216 -0.885 -13.125 72 H TYR 9 H TYR 9 6.062 1.823 -12.342 73 HA TYR 9 HA TYR 9 5.513 2.274 -15.161 74 HB2 TYR 9 HB2 TYR 9 3.940 1.952 -12.747 75 HB3 TYR 9 HB3 TYR 9 3.422 3.366 -13.658 76 HD1 TYR 9 HD2 TYR 9 2.968 3.007 -16.186 77 HD2 TYR 9 HD1 TYR 9 3.173 -0.160 -13.352 78 HE1 TYR 9 HE2 TYR 9 1.701 1.560 -17.719 79 HE2 TYR 9 HE1 TYR 9 1.908 -1.616 -14.878 80 HH TYR 9 HH TYR 9 0.918 -0.487 -18.094 81 H TYR 10 H TYR 10 5.838 4.172 -12.181 82 HA TYR 10 HA TYR 10 5.349 6.694 -13.299 83 HB2 TYR 10 HB2 TYR 10 7.168 6.067 -10.967 84 HB3 TYR 10 HB3 TYR 10 6.389 7.607 -11.308 85 HD1 TYR 10 HD2 TYR 10 3.653 6.713 -12.000 86 HD2 TYR 10 HD1 TYR 10 6.276 5.421 -8.909 87 HE1 TYR 10 HE2 TYR 10 1.714 6.035 -10.647 88 HE2 TYR 10 HE1 TYR 10 4.344 4.738 -7.548 89 HH TYR 10 HH TYR 10 1.426 5.741 -7.863 90 H ASP 11 H ASP 11 8.145 4.650 -13.372 91 HA ASP 11 HA ASP 11 10.117 6.576 -13.944 92 HB2 ASP 11 HB2 ASP 11 9.887 3.672 -13.993 93 HB3 ASP 11 HB3 ASP 11 10.902 4.280 -15.299 94 H VAL 12 H VAL 12 7.625 5.156 -15.879 95 HA VAL 12 HA VAL 12 8.813 5.872 -18.408 96 HB VAL 12 HB VAL 12 5.973 5.028 -17.813 97 HG11 VAL 12 HG11 VAL 12 6.565 4.241 -20.366 98 HG12 VAL 12 HG12 VAL 12 5.657 5.690 -19.929 99 HG13 VAL 12 HG13 VAL 12 7.389 5.796 -20.252 100 HG21 VAL 12 HG21 VAL 12 7.421 3.274 -17.103 101 HG22 VAL 12 HG22 VAL 12 6.766 2.806 -18.672 102 HG23 VAL 12 HG23 VAL 12 8.414 3.423 -18.553 103 H MET 13 H MET 13 6.750 7.358 -16.067 104 HA MET 13 HA MET 13 6.089 9.517 -17.950 105 HB2 MET 13 HB2 MET 13 4.248 8.329 -16.659 106 HB3 MET 13 HB3 MET 13 4.895 9.093 -15.213 107 HG2 MET 13 HG2 MET 13 4.637 11.259 -16.746 108 HG3 MET 13 HG3 MET 13 3.376 10.258 -17.461 109 HE1 MET 13 HE1 MET 13 4.853 10.608 -13.948 110 HE2 MET 13 HE2 MET 13 4.414 12.305 -14.143 111 HE3 MET 13 HE3 MET 13 3.547 11.297 -12.983 112 H THR 14 H THR 14 8.447 8.795 -15.870 113 HA THR 14 HA THR 14 8.612 11.122 -14.241 114 HB THR 14 HB THR 14 9.794 8.903 -13.834 115 HG1 THR 14 HG1 THR 14 10.267 11.031 -12.807 116 HG21 THR 14 HG21 THR 14 11.723 8.338 -14.961 117 HG22 THR 14 HG22 THR 14 12.041 9.997 -15.466 118 HG23 THR 14 HG23 THR 14 10.780 9.058 -16.264 119 H VAL 15 H VAL 15 8.938 10.750 -17.520 120 HA VAL 15 HA VAL 15 11.007 12.796 -17.819 121 HB VAL 15 HB VAL 15 9.552 11.265 -19.979 122 HG11 VAL 15 HG11 VAL 15 11.833 11.978 -21.127 123 HG12 VAL 15 HG12 VAL 15 10.420 13.035 -21.124 124 HG13 VAL 15 HG13 VAL 15 11.719 13.295 -19.959 125 HG21 VAL 15 HG21 VAL 15 10.712 9.554 -19.016 126 HG22 VAL 15 HG22 VAL 15 11.981 10.204 -20.055 127 HG23 VAL 15 HG23 VAL 15 11.944 10.620 -18.341 128 H ILE 16 H ILE 16 7.932 12.947 -17.059 129 HA ILE 16 HA ILE 16 7.518 15.440 -18.529 130 HB ILE 16 HB ILE 16 5.260 13.472 -18.246 131 HG12 ILE 16 HG12 ILE 16 5.726 13.368 -20.870 132 HG13 ILE 16 HG13 ILE 16 7.376 13.670 -20.335 133 HG21 ILE 16 HG21 ILE 16 4.517 14.971 -20.264 134 HG22 ILE 16 HG22 ILE 16 4.307 15.527 -18.604 135 HG23 ILE 16 HG23 ILE 16 5.665 16.112 -19.564 136 HD11 ILE 16 HD11 ILE 16 6.522 11.662 -18.659 137 HD12 ILE 16 HD12 ILE 16 5.792 11.249 -20.211 138 HD13 ILE 16 HD13 ILE 16 7.537 11.472 -20.088 139 H SER 17 H SER 17 7.742 13.942 -15.666 140 HA SER 17 HA SER 17 5.624 15.477 -14.345 141 HB2 SER 17 HB2 SER 17 7.037 13.990 -12.420 142 HB3 SER 17 HB3 SER 17 5.450 13.624 -13.096 143 HG SER 17 HG SER 17 6.365 12.270 -14.545 144 HA PRO 18 HA PRO 18 9.500 16.931 -11.893 145 HB2 PRO 18 HB2 PRO 18 11.922 15.954 -12.633 146 HB3 PRO 18 HB3 PRO 18 10.884 15.151 -11.449 147 HG2 PRO 18 HG2 PRO 18 11.257 14.548 -14.357 148 HG3 PRO 18 HG3 PRO 18 11.152 13.428 -12.987 149 HD2 PRO 18 HD2 PRO 18 9.059 13.915 -14.634 150 HD3 PRO 18 HD3 PRO 18 8.851 13.538 -12.912 151 HA PRO 19 HA PRO 19 11.664 18.463 -16.002 152 HB2 PRO 19 HB2 PRO 19 10.236 17.897 -18.241 153 HB3 PRO 19 HB3 PRO 19 11.514 16.843 -17.625 154 HG2 PRO 19 HG2 PRO 19 8.547 16.609 -17.303 155 HG3 PRO 19 HG3 PRO 19 9.737 15.344 -17.664 156 HD2 PRO 19 HD2 PRO 19 8.724 15.727 -15.182 157 HD3 PRO 19 HD3 PRO 19 10.378 15.143 -15.459 158 H GLU 20 H GLU 20 8.309 18.421 -15.202 159 HA GLU 20 HA GLU 20 7.657 20.825 -16.665 160 HB2 GLU 20 HB2 GLU 20 6.212 18.766 -15.243 161 HB3 GLU 20 HB3 GLU 20 5.673 20.360 -14.735 162 HG2 GLU 20 HG2 GLU 20 5.957 19.943 -17.640 163 HG3 GLU 20 HG3 GLU 20 4.663 19.054 -16.839 164 H PHE 21 H PHE 21 8.968 20.027 -13.607 165 HA PHE 21 HA PHE 21 8.096 22.168 -12.035 166 HB2 PHE 21 HB2 PHE 21 9.906 20.038 -11.761 167 HB3 PHE 21 HB3 PHE 21 10.846 21.496 -11.460 168 HD1 PHE 21 HD1 PHE 21 7.498 20.104 -10.568 169 HD2 PHE 21 HD2 PHE 21 10.973 22.202 -9.288 170 HE1 PHE 21 HE1 PHE 21 6.587 20.212 -8.284 171 HE2 PHE 21 HE2 PHE 21 10.069 22.313 -7.002 172 HZ PHE 21 HZ PHE 21 7.874 21.317 -6.498 173 H GLY 22 H GLY 22 10.406 22.027 -14.612 174 HA2 GLY 22 HA2 GLY 22 12.054 24.185 -14.095 175 HA3 GLY 22 HA3 GLY 22 11.551 23.692 -15.705
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