NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22301 | 2jni | 15115 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ARG 1 HA ARG 1 -16.298 1.520 1.131 2 HE ARG 1 HE ARG 1 -18.829 1.875 3.825 3 H1 ARG 1 1H ARG 1 -17.031 2.507 -0.819 4 H2 ARG 1 2H ARG 1 -15.492 1.925 -0.991 5 H3 ARG 1 3H ARG 1 -16.761 1.125 -1.689 6 HB2 ARG 1 1HB ARG 1 -18.707 1.403 0.645 7 HB3 ARG 1 2HB ARG 1 -18.484 -0.018 -0.356 8 HG2 ARG 1 1HG ARG 1 -18.534 -1.406 1.444 9 HG3 ARG 1 2HG ARG 1 -17.336 -0.456 2.300 10 HD2 ARG 1 1HD ARG 1 -20.032 0.814 2.128 11 HD3 ARG 1 2HD ARG 1 -19.983 -0.671 3.057 12 HH11 ARG 1 1HH1 ARG 1 -18.369 -1.623 4.145 13 HH12 ARG 1 2HH1 ARG 1 -17.496 -1.497 5.636 14 HH21 ARG 1 1HH2 ARG 1 -17.709 2.032 5.737 15 HH22 ARG 1 2HH2 ARG 1 -17.102 0.668 6.586 16 H TRP 2 H TRP 2 -14.123 0.679 -0.263 17 HA TRP 2 HA TRP 2 -13.930 -2.099 0.524 18 HD1 TRP 2 HD1 TRP 2 -11.218 -2.930 -2.779 19 HE1 TRP 2 HE1 TRP 2 -10.020 -1.324 -4.496 20 HE3 TRP 2 HE3 TRP 2 -14.638 0.819 -2.460 21 HZ2 TRP 2 HZ2 TRP 2 -10.624 1.276 -5.506 22 HZ3 TRP 2 HZ3 TRP 2 -14.259 2.857 -3.845 23 HH2 TRP 2 HH2 TRP 2 -12.335 3.120 -5.330 24 HB2 TRP 2 1HB TRP 2 -13.510 -3.047 -1.489 25 HB3 TRP 2 2HB TRP 2 -14.706 -1.857 -1.966 26 H CYS 3 H CYS 3 -11.561 -2.768 0.488 27 HA CYS 3 HA CYS 3 -9.786 -0.456 0.464 28 HB2 CYS 3 1HB CYS 3 -9.958 -2.449 2.734 29 HB3 CYS 3 2HB CYS 3 -8.724 -1.217 2.555 30 H VAL 4 H VAL 4 -7.594 -1.032 -0.107 31 HA VAL 4 HA VAL 4 -7.005 -3.832 -0.516 32 HB VAL 4 HB VAL 4 -6.573 -3.663 -2.845 33 HG11 VAL 4 1HG1 VAL 4 -8.799 -3.332 -3.754 34 HG12 VAL 4 2HG1 VAL 4 -8.919 -4.110 -2.158 35 HG13 VAL 4 3HG1 VAL 4 -9.275 -2.375 -2.332 36 HG21 VAL 4 3HG2 VAL 4 -6.266 -0.916 -2.364 37 HG22 VAL 4 1HG2 VAL 4 -6.111 -1.761 -3.923 38 HG23 VAL 4 2HG2 VAL 4 -7.670 -1.043 -3.450 39 H TYR 5 H TYR 5 -4.711 -4.212 -0.783 40 HA TYR 5 HA TYR 5 -3.158 -2.009 0.324 41 HD1 TYR 5 HD2 TYR 5 -3.812 -3.389 2.703 42 HD2 TYR 5 HD1 TYR 5 -3.540 -6.625 -0.082 43 HE1 TYR 5 HE2 TYR 5 -5.493 -4.719 4.072 44 HE2 TYR 5 HE1 TYR 5 -5.221 -7.944 1.296 45 HH TYR 5 HH TYR 5 -5.888 -7.415 4.310 46 HB2 TYR 5 1HB TYR 5 -2.132 -4.792 -0.346 47 HB3 TYR 5 2HB TYR 5 -1.756 -3.812 1.057 48 H ALA 6 H ALA 6 -0.965 -1.558 -0.541 49 HA ALA 6 HA ALA 6 -0.499 -2.401 -3.270 50 HB1 ALA 6 3HB ALA 6 -1.359 0.365 -2.463 51 HB2 ALA 6 1HB ALA 6 -0.146 0.187 -3.754 52 HB3 ALA 6 2HB ALA 6 -1.750 -0.565 -3.930 53 H TYR 7 H TYR 7 1.709 -1.711 -4.003 54 HA TYR 7 HA TYR 7 3.454 -1.420 -1.654 55 HD1 TYR 7 HD2 TYR 7 3.314 -3.809 -1.068 56 HD2 TYR 7 HD1 TYR 7 3.103 -4.354 -5.306 57 HE1 TYR 7 HE2 TYR 7 2.093 -6.013 -0.731 58 HE2 TYR 7 HE1 TYR 7 1.882 -6.556 -4.954 59 HH TYR 7 HH TYR 7 1.499 -7.911 -1.740 60 HB2 TYR 7 1HB TYR 7 4.093 -2.434 -4.483 61 HB3 TYR 7 2HB TYR 7 5.030 -2.727 -3.032 62 H VAL 8 H VAL 8 4.941 0.236 -1.569 63 HA VAL 8 HA VAL 8 5.100 1.927 -3.968 64 HB VAL 8 HB VAL 8 3.767 3.153 -2.510 65 HG11 VAL 8 1HG1 VAL 8 5.610 2.463 -0.197 66 HG12 VAL 8 2HG1 VAL 8 4.082 3.373 -0.121 67 HG13 VAL 8 3HG1 VAL 8 4.068 1.645 -0.546 68 HG21 VAL 8 3HG2 VAL 8 6.617 4.020 -1.912 69 HG22 VAL 8 1HG2 VAL 8 5.669 4.458 -3.353 70 HG23 VAL 8 2HG2 VAL 8 5.158 5.027 -1.746 71 H ARG 9 H ARG 9 7.159 3.000 -4.301 72 HA ARG 9 HA ARG 9 9.280 1.377 -3.253 73 HE ARG 9 HE ARG 9 12.503 1.268 -5.328 74 HB2 ARG 9 1HB ARG 9 9.667 1.682 -5.533 75 HB3 ARG 9 2HB ARG 9 8.912 3.263 -5.561 76 HG2 ARG 9 1HG ARG 9 10.855 4.353 -4.724 77 HG3 ARG 9 2HG ARG 9 11.525 2.871 -4.071 78 HD2 ARG 9 1HD ARG 9 11.096 3.180 -7.066 79 HD3 ARG 9 2HD ARG 9 12.531 3.833 -6.300 80 HH11 ARG 9 1HH1 ARG 9 12.201 2.550 -8.617 81 HH12 ARG 9 2HH1 ARG 9 12.902 1.151 -9.360 82 HH21 ARG 9 1HH2 ARG 9 13.401 -0.524 -6.284 83 HH22 ARG 9 2HH2 ARG 9 13.616 -0.676 -7.982 84 H ILE 10 H ILE 10 10.086 2.010 -1.265 85 HA ILE 10 HA ILE 10 10.804 4.829 -0.991 86 HB ILE 10 HB ILE 10 9.096 3.216 0.885 87 HG12 ILE 10 1HG1 ILE 10 8.531 5.166 -1.036 88 HG13 ILE 10 2HG1 ILE 10 7.454 4.549 0.202 89 HG21 ILE 10 1HG2 ILE 10 9.455 4.838 2.628 90 HG22 ILE 10 2HG2 ILE 10 11.021 4.140 2.150 91 HG23 ILE 10 3HG2 ILE 10 10.565 5.769 1.594 92 HD11 ILE 10 3HD1 ILE 10 8.308 6.284 1.798 93 HD12 ILE 10 1HD1 ILE 10 9.344 6.929 0.503 94 HD13 ILE 10 2HD1 ILE 10 7.573 7.002 0.345 95 H ARG 11 H ARG 11 12.822 5.137 -0.122 96 HA ARG 11 HA ARG 11 14.790 4.680 0.641 97 HE ARG 11 HE ARG 11 14.255 4.676 5.592 98 HB2 ARG 11 1HB ARG 11 13.236 2.521 2.115 99 HB3 ARG 11 2HB ARG 11 14.978 2.612 2.284 100 HG2 ARG 11 1HG ARG 11 14.884 4.501 3.579 101 HG3 ARG 11 2HG ARG 11 13.650 5.244 2.580 102 HD2 ARG 11 1HD ARG 11 11.990 4.591 3.997 103 HD3 ARG 11 2HD ARG 11 12.545 2.929 3.988 104 HH11 ARG 11 1HH1 ARG 11 11.304 2.716 5.638 105 HH12 ARG 11 2HH1 ARG 11 11.329 2.496 7.356 106 HH21 ARG 11 1HH2 ARG 11 14.283 4.391 7.795 107 HH22 ARG 11 2HH2 ARG 11 13.093 3.487 8.641 108 H GLY 12 H GLY 12 13.998 3.618 -1.941 109 HA3 GLY 12 2HA GLY 12 16.160 1.923 -2.508 110 H VAL 13 H VAL 13 13.032 1.266 -1.114 111 HA VAL 13 HA VAL 13 13.251 -1.548 -1.915 112 HB VAL 13 HB VAL 13 12.453 -0.702 0.855 113 HG11 VAL 13 1HG1 VAL 13 13.714 -3.110 1.056 114 HG12 VAL 13 2HG1 VAL 13 11.962 -2.908 0.815 115 HG13 VAL 13 3HG1 VAL 13 13.021 -3.227 -0.579 116 HG21 VAL 13 3HG2 VAL 13 15.145 -0.601 -0.321 117 HG22 VAL 13 1HG2 VAL 13 14.525 0.099 1.193 118 HG23 VAL 13 2HG2 VAL 13 15.040 -1.604 1.146 119 H LEU 14 H LEU 14 11.140 -2.748 -1.547 120 HA LEU 14 HA LEU 14 8.956 -0.922 -2.225 121 HG LEU 14 HG LEU 14 6.999 -3.414 -3.700 122 HB2 LEU 14 1HB LEU 14 9.816 -2.923 -3.687 123 HB3 LEU 14 2HB LEU 14 8.856 -3.891 -2.585 124 HD11 LEU 14 1HD1 LEU 14 6.900 -1.355 -2.279 125 HD12 LEU 14 2HD1 LEU 14 7.633 -0.455 -3.629 126 HD13 LEU 14 3HD1 LEU 14 6.043 -1.228 -3.834 127 HD21 LEU 14 3HD2 LEU 14 8.784 -1.769 -5.515 128 HD22 LEU 14 1HD2 LEU 14 8.431 -3.508 -5.657 129 HD23 LEU 14 2HD2 LEU 14 7.134 -2.314 -5.901 130 H VAL 15 H VAL 15 7.607 -0.382 -0.604 131 HA VAL 15 HA VAL 15 7.313 -2.333 1.571 132 HB VAL 15 HB VAL 15 6.501 0.520 1.847 133 HG11 VAL 15 1HG1 VAL 15 7.299 -1.758 3.570 134 HG12 VAL 15 2HG1 VAL 15 7.864 -0.154 4.096 135 HG13 VAL 15 3HG1 VAL 15 6.125 -0.451 3.859 136 HG21 VAL 15 3HG2 VAL 15 9.397 -0.392 1.922 137 HG22 VAL 15 1HG2 VAL 15 8.671 0.708 0.726 138 HG23 VAL 15 2HG2 VAL 15 8.792 1.202 2.432 139 H ARG 16 H ARG 16 5.239 -2.968 2.233 140 HA ARG 16 HA ARG 16 3.214 -2.332 0.267 141 HE ARG 16 HE ARG 16 4.412 -7.662 2.503 142 HB2 ARG 16 1HB ARG 16 2.794 -4.404 2.425 143 HB3 ARG 16 2HB ARG 16 2.228 -4.413 0.767 144 HG2 ARG 16 1HG ARG 16 4.717 -4.642 0.074 145 HG3 ARG 16 2HG ARG 16 5.054 -4.967 1.763 146 HD2 ARG 16 1HD ARG 16 2.830 -6.625 1.088 147 HD3 ARG 16 2HD ARG 16 3.945 -6.757 -0.257 148 HH11 ARG 16 1HH1 ARG 16 5.913 -6.868 -0.607 149 HH12 ARG 16 2HH1 ARG 16 7.340 -7.798 -0.296 150 HH21 ARG 16 1HH2 ARG 16 6.245 -8.854 2.897 151 HH22 ARG 16 2HH2 ARG 16 7.544 -8.979 1.780 152 H TYR 17 H TYR 17 1.064 -1.634 0.930 153 HA TYR 17 HA TYR 17 0.694 -1.023 3.746 154 HD1 TYR 17 HD2 TYR 17 2.768 0.620 0.570 155 HD2 TYR 17 HD1 TYR 17 -1.327 1.746 1.084 156 HE1 TYR 17 HE2 TYR 17 2.632 1.268 -1.884 157 HE2 TYR 17 HE1 TYR 17 -1.450 2.391 -1.373 158 HH TYR 17 HH TYR 17 1.414 2.501 -3.352 159 HB2 TYR 17 1HB TYR 17 0.103 1.370 3.009 160 HB3 TYR 17 2HB TYR 17 1.803 0.990 2.819 161 H ARG 18 H ARG 18 -1.589 -0.126 4.119 162 HA ARG 18 HA ARG 18 -3.328 -1.504 2.246 163 HE ARG 18 HE ARG 18 -5.862 -2.931 5.685 164 HB2 ARG 18 1HB ARG 18 -4.170 -0.565 5.012 165 HB3 ARG 18 2HB ARG 18 -4.846 -1.871 4.059 166 HG2 ARG 18 1HG ARG 18 -2.382 -2.890 4.279 167 HG3 ARG 18 2HG ARG 18 -2.287 -1.825 5.667 168 HD2 ARG 18 1HD ARG 18 -3.953 -4.278 5.269 169 HD3 ARG 18 2HD ARG 18 -3.200 -3.670 6.730 170 HH11 ARG 18 1HH1 ARG 18 -3.291 -2.192 8.009 171 HH12 ARG 18 2HH1 ARG 18 -4.329 -1.283 9.056 172 HH21 ARG 18 1HH2 ARG 18 -7.190 -1.766 7.032 173 HH22 ARG 18 2HH2 ARG 18 -6.642 -1.027 8.483 174 H ARG 19 H ARG 19 -5.093 -0.396 1.281 175 HA ARG 19 HA ARG 19 -5.271 2.419 1.999 176 HE ARG 19 HE ARG 19 -5.379 4.666 -0.426 177 HB2 ARG 19 1HB ARG 19 -5.223 1.112 -0.753 178 HB3 ARG 19 2HB ARG 19 -5.935 2.697 -0.528 179 HG2 ARG 19 1HG ARG 19 -3.588 3.122 0.771 180 HG3 ARG 19 2HG ARG 19 -3.056 1.859 -0.321 181 HD2 ARG 19 1HD ARG 19 -2.684 3.994 -1.428 182 HD3 ARG 19 2HD ARG 19 -4.004 3.193 -2.257 183 HH11 ARG 19 1HH1 ARG 19 -2.726 5.573 -2.592 184 HH12 ARG 19 2HH1 ARG 19 -3.232 7.225 -2.723 185 HH21 ARG 19 1HH2 ARG 19 -6.025 6.785 -0.596 186 HH22 ARG 19 2HH2 ARG 19 -5.188 7.950 -1.542 187 H CYS 20 H CYS 20 -7.461 3.407 1.359 188 HA CYS 20 HA CYS 20 -9.548 1.375 1.201 189 HB2 CYS 20 1HB CYS 20 -9.218 3.462 3.328 190 HB3 CYS 20 2HB CYS 20 -10.828 2.980 2.832 191 H TRP 21 H TRP 21 -11.684 2.428 0.503 192 HA TRP 21 HA TRP 21 -11.196 4.129 -1.695 193 HD1 TRP 21 1HD TRP 21 -15.261 5.415 -1.517 194 HE1 TRP 21 HE1 TRP 21 -17.031 5.557 0.435 195 HE3 TRP 21 HE3 TRP 21 -13.221 1.712 1.308 196 HZ2 TRP 21 HZ2 TRP 21 -17.371 4.136 2.887 197 HZ3 TRP 21 HZ3 TRP 21 -14.334 1.151 3.467 198 HH2 TRP 21 2HH TRP 21 -16.339 2.296 4.268 199 HB2 TRP 21 1HB TRP 21 -13.346 3.721 -2.277 200 HB3 TRP 21 2HB TRP 21 -13.057 2.344 -1.232 Start of MODEL 2 1 HA ARG 1 HA ARG 1 -13.863 2.579 -2.030 2 HE ARG 1 HE ARG 1 -17.709 6.157 -0.741 3 H1 ARG 1 1H ARG 1 -15.654 2.563 -3.480 4 H2 ARG 1 2H ARG 1 -15.024 1.044 -3.299 5 H3 ARG 1 3H ARG 1 -16.456 1.436 -2.569 6 HB2 ARG 1 1HB ARG 1 -16.646 3.214 -1.044 7 HB3 ARG 1 2HB ARG 1 -15.329 3.373 0.102 8 HG2 ARG 1 1HG ARG 1 -14.812 5.385 -0.799 9 HG3 ARG 1 2HG ARG 1 -14.401 4.588 -2.305 10 HD2 ARG 1 1HD ARG 1 -16.116 5.806 -3.204 11 HD3 ARG 1 2HD ARG 1 -17.165 4.615 -2.462 12 HH11 ARG 1 1HH1 ARG 1 -15.153 7.464 -2.818 13 HH12 ARG 1 2HH1 ARG 1 -15.290 9.070 -2.186 14 HH21 ARG 1 1HH2 ARG 1 -17.880 8.219 0.067 15 HH22 ARG 1 2HH2 ARG 1 -16.905 9.525 -0.474 16 H TRP 2 H TRP 2 -12.722 0.756 -1.323 17 HA TRP 2 HA TRP 2 -13.715 -0.493 1.094 18 HD1 TRP 2 HD1 TRP 2 -11.414 -3.724 -1.120 19 HE1 TRP 2 HE1 TRP 2 -10.725 -3.858 -3.664 20 HE3 TRP 2 HE3 TRP 2 -14.915 -0.434 -2.784 21 HZ2 TRP 2 HZ2 TRP 2 -11.699 -2.601 -6.033 22 HZ3 TRP 2 HZ3 TRP 2 -14.978 0.058 -5.227 23 HH2 TRP 2 HH2 TRP 2 -13.445 -0.966 -6.832 24 HB2 TRP 2 1HB TRP 2 -13.463 -2.754 0.284 25 HB3 TRP 2 2HB TRP 2 -14.698 -1.901 -0.620 26 H CYS 3 H CYS 3 -11.823 -2.217 1.728 27 HA CYS 3 HA CYS 3 -9.417 -0.622 1.604 28 HB2 CYS 3 1HB CYS 3 -10.056 -3.116 3.194 29 HB3 CYS 3 2HB CYS 3 -8.580 -2.180 3.322 30 H VAL 4 H VAL 4 -7.449 -1.369 0.662 31 HA VAL 4 HA VAL 4 -7.404 -4.020 -0.490 32 HB VAL 4 HB VAL 4 -6.941 -3.238 -2.736 33 HG11 VAL 4 1HG1 VAL 4 -9.184 -2.567 -3.380 34 HG12 VAL 4 2HG1 VAL 4 -9.276 -3.765 -2.067 35 HG13 VAL 4 3HG1 VAL 4 -9.539 -2.040 -1.718 36 HG21 VAL 4 3HG2 VAL 4 -6.984 -0.990 -3.434 37 HG22 VAL 4 1HG2 VAL 4 -7.753 -0.441 -1.925 38 HG23 VAL 4 2HG2 VAL 4 -6.053 -0.968 -1.917 39 H TYR 5 H TYR 5 -5.205 -4.606 -1.222 40 HA TYR 5 HA TYR 5 -3.241 -3.164 0.375 41 HD1 TYR 5 HD1 TYR 5 -4.826 -4.587 1.583 42 HD2 TYR 5 HD2 TYR 5 -3.561 -7.847 -0.883 43 HE1 TYR 5 HE1 TYR 5 -6.618 -6.070 2.611 44 HE2 TYR 5 HE2 TYR 5 -5.357 -9.318 0.153 45 HH TYR 5 HH TYR 5 -6.792 -8.722 2.929 46 HB2 TYR 5 1HB TYR 5 -2.738 -5.649 -1.304 47 HB3 TYR 5 2HB TYR 5 -2.119 -5.284 0.294 48 H ALA 6 H ALA 6 -1.386 -2.192 -0.462 49 HA ALA 6 HA ALA 6 -0.864 -2.437 -3.297 50 HB1 ALA 6 3HB ALA 6 -2.300 -0.643 -3.600 51 HB2 ALA 6 1HB ALA 6 -1.992 0.018 -1.977 52 HB3 ALA 6 2HB ALA 6 -0.780 0.219 -3.264 53 H TYR 7 H TYR 7 1.268 -1.484 -3.861 54 HA TYR 7 HA TYR 7 2.958 -1.231 -1.463 55 HD1 TYR 7 HD2 TYR 7 3.756 -4.065 -1.023 56 HD2 TYR 7 HD1 TYR 7 2.003 -3.777 -4.915 57 HE1 TYR 7 HE2 TYR 7 2.631 -6.320 -0.691 58 HE2 TYR 7 HE1 TYR 7 0.883 -6.033 -4.569 59 HH TYR 7 HH TYR 7 1.570 -7.966 -1.700 60 HB2 TYR 7 1HB TYR 7 3.718 -2.246 -4.261 61 HB3 TYR 7 2HB TYR 7 4.628 -2.477 -2.782 62 H VAL 8 H VAL 8 4.955 0.072 -1.783 63 HA VAL 8 HA VAL 8 4.867 1.876 -4.056 64 HB VAL 8 HB VAL 8 3.628 3.279 -2.785 65 HG11 VAL 8 1HG1 VAL 8 3.384 1.683 -0.905 66 HG12 VAL 8 2HG1 VAL 8 4.941 2.243 -0.249 67 HG13 VAL 8 3HG1 VAL 8 3.563 3.365 -0.353 68 HG21 VAL 8 3HG2 VAL 8 5.707 4.460 -3.193 69 HG22 VAL 8 1HG2 VAL 8 5.069 4.922 -1.597 70 HG23 VAL 8 2HG2 VAL 8 6.426 3.776 -1.716 71 H ARG 9 H ARG 9 6.915 3.090 -4.291 72 HA ARG 9 HA ARG 9 9.052 1.466 -3.253 73 HE ARG 9 HE ARG 9 10.719 5.337 -6.542 74 HB2 ARG 9 1HB ARG 9 9.432 1.780 -5.539 75 HB3 ARG 9 2HB ARG 9 8.693 3.368 -5.556 76 HG2 ARG 9 1HG ARG 9 10.648 4.391 -4.541 77 HG3 ARG 9 2HG ARG 9 11.348 2.831 -4.157 78 HD2 ARG 9 1HD ARG 9 12.485 3.017 -6.125 79 HD3 ARG 9 2HD ARG 9 10.968 2.637 -6.915 80 HH11 ARG 9 1HH1 ARG 9 13.360 3.387 -7.876 81 HH12 ARG 9 2HH1 ARG 9 13.921 4.643 -8.928 82 HH21 ARG 9 1HH2 ARG 9 11.443 6.945 -7.893 83 HH22 ARG 9 2HH2 ARG 9 12.789 6.756 -8.944 84 H ILE 10 H ILE 10 9.904 2.111 -1.294 85 HA ILE 10 HA ILE 10 10.487 4.959 -0.989 86 HB ILE 10 HB ILE 10 8.966 3.216 0.938 87 HG12 ILE 10 1HG1 ILE 10 8.145 5.060 -0.988 88 HG13 ILE 10 2HG1 ILE 10 7.183 4.386 0.311 89 HG21 ILE 10 1HG2 ILE 10 10.838 4.333 2.120 90 HG22 ILE 10 2HG2 ILE 10 10.222 5.903 1.553 91 HG23 ILE 10 3HG2 ILE 10 9.234 4.900 2.641 92 HD11 ILE 10 3HD1 ILE 10 8.866 6.928 0.473 93 HD12 ILE 10 1HD1 ILE 10 7.090 6.844 0.387 94 HD13 ILE 10 2HD1 ILE 10 7.942 6.231 1.825 95 H ARG 11 H ARG 11 12.519 5.355 -0.205 96 HA ARG 11 HA ARG 11 14.536 4.992 0.476 97 HE ARG 11 HE ARG 11 16.813 3.394 3.181 98 HB2 ARG 11 1HB ARG 11 13.049 2.900 2.064 99 HB3 ARG 11 2HB ARG 11 14.799 2.810 2.062 100 HG2 ARG 11 1HG ARG 11 14.241 5.554 2.464 101 HG3 ARG 11 2HG ARG 11 13.041 4.722 3.432 102 HD2 ARG 11 1HD ARG 11 15.041 5.080 4.800 103 HD3 ARG 11 2HD ARG 11 14.866 3.362 4.503 104 HH11 ARG 11 1HH1 ARG 11 15.762 6.718 3.815 105 HH12 ARG 11 2HH1 ARG 11 17.210 7.428 3.181 106 HH21 ARG 11 1HH2 ARG 11 18.668 4.309 2.370 107 HH22 ARG 11 2HH2 ARG 11 18.937 6.006 2.323 108 H GLY 12 H GLY 12 13.727 3.904 -2.076 109 HA3 GLY 12 2HA GLY 12 15.933 2.303 -2.717 110 H VAL 13 H VAL 13 12.874 1.503 -1.229 111 HA VAL 13 HA VAL 13 13.222 -1.305 -2.009 112 HB VAL 13 HB VAL 13 12.459 -0.443 0.771 113 HG11 VAL 13 1HG1 VAL 13 13.081 -2.985 -0.629 114 HG12 VAL 13 2HG1 VAL 13 13.749 -2.813 1.011 115 HG13 VAL 13 3HG1 VAL 13 11.995 -2.663 0.744 116 HG21 VAL 13 3HG2 VAL 13 15.084 -1.302 0.968 117 HG22 VAL 13 1HG2 VAL 13 15.101 -0.273 -0.485 118 HG23 VAL 13 2HG2 VAL 13 14.523 0.385 1.064 119 H LEU 14 H LEU 14 11.201 -2.606 -1.688 120 HA LEU 14 HA LEU 14 8.910 -0.907 -2.318 121 HG LEU 14 HG LEU 14 7.061 -3.561 -3.675 122 HB2 LEU 14 1HB LEU 14 9.836 -2.877 -3.762 123 HB3 LEU 14 2HB LEU 14 8.981 -3.888 -2.614 124 HD11 LEU 14 1HD1 LEU 14 7.496 -0.565 -3.662 125 HD12 LEU 14 2HD1 LEU 14 5.956 -1.443 -3.824 126 HD13 LEU 14 3HD1 LEU 14 6.852 -1.494 -2.287 127 HD21 LEU 14 3HD2 LEU 14 8.436 -3.592 -5.675 128 HD22 LEU 14 1HD2 LEU 14 7.048 -2.499 -5.897 129 HD23 LEU 14 2HD2 LEU 14 8.666 -1.829 -5.575 130 H VAL 15 H VAL 15 7.594 -0.378 -0.665 131 HA VAL 15 HA VAL 15 7.451 -2.266 1.573 132 HB VAL 15 HB VAL 15 6.382 0.512 1.717 133 HG11 VAL 15 1HG1 VAL 15 7.068 -1.630 3.518 134 HG12 VAL 15 2HG1 VAL 15 8.011 -0.177 3.929 135 HG13 VAL 15 3HG1 VAL 15 6.235 -0.094 3.858 136 HG21 VAL 15 3HG2 VAL 15 8.727 1.271 2.395 137 HG22 VAL 15 1HG2 VAL 15 9.322 -0.187 1.566 138 HG23 VAL 15 2HG2 VAL 15 8.425 1.051 0.655 139 H ARG 16 H ARG 16 5.436 -3.018 2.325 140 HA ARG 16 HA ARG 16 3.347 -2.680 0.348 141 HE ARG 16 HE ARG 16 5.978 -7.129 2.261 142 HB2 ARG 16 1HB ARG 16 3.152 -4.680 2.606 143 HB3 ARG 16 2HB ARG 16 2.556 -4.814 0.963 144 HG2 ARG 16 1HG ARG 16 5.088 -4.795 0.265 145 HG3 ARG 16 2HG ARG 16 5.411 -5.135 1.954 146 HD2 ARG 16 1HD ARG 16 3.299 -6.908 1.109 147 HD3 ARG 16 2HD ARG 16 4.555 -6.970 -0.112 148 HH11 ARG 16 1HH1 ARG 16 3.273 -8.973 0.906 149 HH12 ARG 16 2HH1 ARG 16 3.702 -10.439 1.722 150 HH21 ARG 16 1HH2 ARG 16 6.525 -9.012 3.306 151 HH22 ARG 16 2HH2 ARG 16 5.630 -10.469 3.146 152 H TYR 17 H TYR 17 1.200 -2.031 0.967 153 HA TYR 17 HA TYR 17 0.718 -1.446 3.765 154 HD1 TYR 17 HD2 TYR 17 -1.605 1.374 1.883 155 HD2 TYR 17 HD1 TYR 17 2.203 0.474 0.153 156 HE1 TYR 17 HE2 TYR 17 -2.417 2.232 -0.369 157 HE2 TYR 17 HE1 TYR 17 1.378 1.335 -2.093 158 HH TYR 17 HH TYR 17 -1.124 3.264 -2.473 159 HB2 TYR 17 1HB TYR 17 0.361 0.934 3.292 160 HB3 TYR 17 2HB TYR 17 1.911 0.537 2.576 161 H ARG 18 H ARG 18 -1.610 -0.418 3.950 162 HA ARG 18 HA ARG 18 -3.259 -1.483 1.817 163 HE ARG 18 HE ARG 18 -4.575 -3.585 6.186 164 HB2 ARG 18 1HB ARG 18 -3.790 -1.929 4.798 165 HB3 ARG 18 2HB ARG 18 -4.821 -2.472 3.489 166 HG2 ARG 18 1HG ARG 18 -3.090 -3.985 2.655 167 HG3 ARG 18 2HG ARG 18 -1.903 -3.323 3.761 168 HD2 ARG 18 1HD ARG 18 -4.279 -5.101 4.383 169 HD3 ARG 18 2HD ARG 18 -2.602 -5.322 4.838 170 HH11 ARG 18 1HH1 ARG 18 -1.166 -4.499 5.876 171 HH12 ARG 18 2HH1 ARG 18 -0.722 -3.845 7.417 172 HH21 ARG 18 1HH2 ARG 18 -4.002 -2.748 8.162 173 HH22 ARG 18 2HH2 ARG 18 -2.399 -2.805 8.778 174 H ARG 19 H ARG 19 -4.897 -0.053 1.235 175 HA ARG 19 HA ARG 19 -5.557 1.982 3.199 176 HE ARG 19 HE ARG 19 -5.563 5.152 2.366 177 HB2 ARG 19 1HB ARG 19 -4.837 2.358 0.262 178 HB3 ARG 19 2HB ARG 19 -5.796 3.553 1.113 179 HG2 ARG 19 1HG ARG 19 -3.786 3.265 2.926 180 HG3 ARG 19 2HG ARG 19 -2.905 2.824 1.477 181 HD2 ARG 19 1HD ARG 19 -2.670 5.229 1.788 182 HD3 ARG 19 2HD ARG 19 -3.694 4.971 0.390 183 HH11 ARG 19 1HH1 ARG 19 -2.757 7.190 1.640 184 HH12 ARG 19 2HH1 ARG 19 -3.477 8.627 2.285 185 HH21 ARG 19 1HH2 ARG 19 -6.483 6.998 3.193 186 HH22 ARG 19 2HH2 ARG 19 -5.687 8.520 3.208 187 H CYS 20 H CYS 20 -7.726 3.076 2.678 188 HA CYS 20 HA CYS 20 -9.428 1.264 1.131 189 HB2 CYS 20 1HB CYS 20 -10.463 2.650 3.580 190 HB3 CYS 20 2HB CYS 20 -11.102 1.251 2.741 191 H TRP 21 H TRP 21 -10.699 2.338 -0.377 192 HA TRP 21 HA TRP 21 -10.830 5.265 -0.106 193 HD1 TRP 21 1HD TRP 21 -12.547 5.148 -3.839 194 HE1 TRP 21 HE1 TRP 21 -13.183 3.315 -5.627 195 HE3 TRP 21 HE3 TRP 21 -9.003 1.788 -2.425 196 HZ2 TRP 21 HZ2 TRP 21 -12.155 0.723 -6.236 197 HZ3 TRP 21 HZ3 TRP 21 -8.886 -0.370 -3.668 198 HH2 TRP 21 2HH TRP 21 -10.388 -0.926 -5.514 199 HB2 TRP 21 1HB TRP 21 -10.302 5.591 -2.286 200 HB3 TRP 21 2HB TRP 21 -9.318 4.182 -1.944 Start of MODEL 3 1 HA ARG 1 HA ARG 1 -13.908 2.561 -2.057 2 HE ARG 1 HE ARG 1 -12.706 6.542 -0.769 3 H1 ARG 1 1H ARG 1 -15.768 2.566 -3.418 4 H2 ARG 1 2H ARG 1 -15.177 1.033 -3.228 5 H3 ARG 1 3H ARG 1 -16.558 1.489 -2.440 6 HB2 ARG 1 1HB ARG 1 -16.617 3.305 -0.945 7 HB3 ARG 1 2HB ARG 1 -15.234 3.463 0.118 8 HG2 ARG 1 1HG ARG 1 -14.377 4.587 -2.338 9 HG3 ARG 1 2HG ARG 1 -16.028 5.144 -2.150 10 HD2 ARG 1 1HD ARG 1 -15.538 6.415 -0.272 11 HD3 ARG 1 2HD ARG 1 -14.337 5.284 0.318 12 HH11 ARG 1 1HH1 ARG 1 -15.806 7.129 -2.383 13 HH12 ARG 1 2HH1 ARG 1 -15.157 8.314 -3.468 14 HH21 ARG 1 1HH2 ARG 1 -11.879 8.061 -2.163 15 HH22 ARG 1 2HH2 ARG 1 -12.830 8.871 -3.343 16 H TRP 2 H TRP 2 -12.756 0.782 -1.295 17 HA TRP 2 HA TRP 2 -13.712 -0.412 1.162 18 HD1 TRP 2 HD1 TRP 2 -11.502 -3.750 -1.011 19 HE1 TRP 2 HE1 TRP 2 -10.831 -3.934 -3.556 20 HE3 TRP 2 HE3 TRP 2 -14.912 -0.375 -2.696 21 HZ2 TRP 2 HZ2 TRP 2 -11.780 -2.676 -5.935 22 HZ3 TRP 2 HZ3 TRP 2 -14.974 0.089 -5.144 23 HH2 TRP 2 HH2 TRP 2 -13.481 -0.999 -6.745 24 HB2 TRP 2 1HB TRP 2 -13.492 -2.691 0.400 25 HB3 TRP 2 2HB TRP 2 -14.731 -1.850 -0.509 26 H CYS 3 H CYS 3 -11.815 -2.136 1.794 27 HA CYS 3 HA CYS 3 -9.406 -0.554 1.597 28 HB2 CYS 3 1HB CYS 3 -10.046 -3.006 3.251 29 HB3 CYS 3 2HB CYS 3 -8.545 -2.105 3.322 30 H VAL 4 H VAL 4 -7.432 -1.365 0.688 31 HA VAL 4 HA VAL 4 -7.453 -4.019 -0.455 32 HB VAL 4 HB VAL 4 -6.955 -3.251 -2.703 33 HG11 VAL 4 1HG1 VAL 4 -9.175 -2.616 -3.371 34 HG12 VAL 4 2HG1 VAL 4 -9.315 -3.720 -1.982 35 HG13 VAL 4 3HG1 VAL 4 -9.536 -1.969 -1.753 36 HG21 VAL 4 3HG2 VAL 4 -7.764 -0.443 -1.960 37 HG22 VAL 4 1HG2 VAL 4 -6.070 -0.971 -1.824 38 HG23 VAL 4 2HG2 VAL 4 -6.894 -1.025 -3.400 39 H TYR 5 H TYR 5 -5.264 -4.652 -1.205 40 HA TYR 5 HA TYR 5 -3.268 -3.260 0.401 41 HD1 TYR 5 HD1 TYR 5 -4.685 -4.747 1.819 42 HD2 TYR 5 HD2 TYR 5 -3.908 -7.828 -1.045 43 HE1 TYR 5 HE1 TYR 5 -6.514 -6.179 2.853 44 HE2 TYR 5 HE2 TYR 5 -5.739 -9.250 -0.002 45 HH TYR 5 HH TYR 5 -8.070 -8.169 1.768 46 HB2 TYR 5 1HB TYR 5 -2.828 -5.763 -1.270 47 HB3 TYR 5 2HB TYR 5 -2.199 -5.407 0.327 48 H ALA 6 H ALA 6 -1.439 -2.271 -0.437 49 HA ALA 6 HA ALA 6 -0.867 -2.578 -3.257 50 HB1 ALA 6 3HB ALA 6 -2.038 -0.104 -2.015 51 HB2 ALA 6 1HB ALA 6 -0.802 0.079 -3.282 52 HB3 ALA 6 2HB ALA 6 -2.309 -0.803 -3.629 53 H TYR 7 H TYR 7 1.267 -1.623 -3.807 54 HA TYR 7 HA TYR 7 2.924 -1.369 -1.387 55 HD1 TYR 7 HD2 TYR 7 3.854 -4.159 -1.029 56 HD2 TYR 7 HD1 TYR 7 2.036 -3.848 -4.889 57 HE1 TYR 7 HE2 TYR 7 2.818 -6.462 -0.734 58 HE2 TYR 7 HE1 TYR 7 1.007 -6.152 -4.582 59 HH TYR 7 HH TYR 7 1.763 -8.098 -1.725 60 HB2 TYR 7 1HB TYR 7 3.699 -2.268 -4.223 61 HB3 TYR 7 2HB TYR 7 4.642 -2.501 -2.764 62 H VAL 8 H VAL 8 4.867 0.012 -1.609 63 HA VAL 8 HA VAL 8 4.718 1.924 -3.803 64 HB VAL 8 HB VAL 8 3.404 3.063 -2.252 65 HG11 VAL 8 1HG1 VAL 8 3.723 3.169 0.106 66 HG12 VAL 8 2HG1 VAL 8 3.930 1.462 -0.356 67 HG13 VAL 8 3HG1 VAL 8 5.356 2.470 -0.012 68 HG21 VAL 8 3HG2 VAL 8 4.779 4.953 -1.491 69 HG22 VAL 8 1HG2 VAL 8 6.253 3.992 -1.758 70 HG23 VAL 8 2HG2 VAL 8 5.225 4.447 -3.139 71 H ARG 9 H ARG 9 6.745 3.230 -3.967 72 HA ARG 9 HA ARG 9 8.935 1.550 -3.125 73 HE ARG 9 HE ARG 9 10.914 4.985 -7.488 74 HB2 ARG 9 1HB ARG 9 9.279 1.982 -5.387 75 HB3 ARG 9 2HB ARG 9 8.453 3.526 -5.330 76 HG2 ARG 9 1HG ARG 9 10.358 4.670 -4.494 77 HG3 ARG 9 2HG ARG 9 11.101 3.202 -3.892 78 HD2 ARG 9 1HD ARG 9 12.283 3.044 -5.824 79 HD3 ARG 9 2HD ARG 9 10.783 2.791 -6.695 80 HH11 ARG 9 1HH1 ARG 9 12.972 4.707 -4.618 81 HH12 ARG 9 2HH1 ARG 9 13.624 6.304 -4.778 82 HH21 ARG 9 1HH2 ARG 9 11.752 7.032 -7.690 83 HH22 ARG 9 2HH2 ARG 9 12.905 7.687 -6.598 84 H ILE 10 H ILE 10 9.885 2.103 -1.186 85 HA ILE 10 HA ILE 10 10.408 4.944 -0.736 86 HB ILE 10 HB ILE 10 8.903 3.065 1.040 87 HG12 ILE 10 1HG1 ILE 10 8.199 5.248 -0.520 88 HG13 ILE 10 2HG1 ILE 10 7.233 4.507 0.740 89 HG21 ILE 10 1HG2 ILE 10 9.367 4.456 2.982 90 HG22 ILE 10 2HG2 ILE 10 10.869 3.740 2.349 91 HG23 ILE 10 3HG2 ILE 10 10.493 5.450 2.026 92 HD11 ILE 10 3HD1 ILE 10 8.202 6.038 2.430 93 HD12 ILE 10 1HD1 ILE 10 9.238 6.768 1.180 94 HD13 ILE 10 2HD1 ILE 10 7.470 6.958 1.094 95 H ARG 11 H ARG 11 12.479 5.343 -0.088 96 HA ARG 11 HA ARG 11 14.539 5.000 0.464 97 HE ARG 11 HE ARG 11 14.934 4.105 5.778 98 HB2 ARG 11 1HB ARG 11 13.327 2.641 1.965 99 HB3 ARG 11 2HB ARG 11 15.050 2.954 2.020 100 HG2 ARG 11 1HG ARG 11 13.505 5.409 2.501 101 HG3 ARG 11 2HG ARG 11 13.065 4.150 3.637 102 HD2 ARG 11 1HD ARG 11 15.833 3.919 3.605 103 HD3 ARG 11 2HD ARG 11 15.625 5.644 3.371 104 HH11 ARG 11 1HH1 ARG 11 14.425 7.133 4.011 105 HH12 ARG 11 2HH1 ARG 11 13.920 8.013 5.416 106 HH21 ARG 11 1HH2 ARG 11 14.286 5.236 7.577 107 HH22 ARG 11 2HH2 ARG 11 13.835 6.893 7.533 108 H GLY 12 H GLY 12 13.608 4.001 -2.080 109 HA3 GLY 12 2HA GLY 12 15.804 2.461 -2.901 110 H VAL 13 H VAL 13 12.865 1.558 -1.268 111 HA VAL 13 HA VAL 13 13.207 -1.210 -2.190 112 HB VAL 13 HB VAL 13 12.444 -0.507 0.627 113 HG11 VAL 13 1HG1 VAL 13 12.339 -2.726 0.798 114 HG12 VAL 13 2HG1 VAL 13 12.884 -2.911 -0.886 115 HG13 VAL 13 3HG1 VAL 13 14.078 -2.821 0.431 116 HG21 VAL 13 3HG2 VAL 13 15.087 -0.143 -0.626 117 HG22 VAL 13 1HG2 VAL 13 14.441 0.497 0.904 118 HG23 VAL 13 2HG2 VAL 13 15.103 -1.154 0.839 119 H LEU 14 H LEU 14 11.206 -2.559 -1.826 120 HA LEU 14 HA LEU 14 8.880 -0.881 -2.383 121 HG LEU 14 HG LEU 14 7.043 -3.530 -3.766 122 HB2 LEU 14 1HB LEU 14 9.806 -2.806 -3.888 123 HB3 LEU 14 2HB LEU 14 8.986 -3.853 -2.746 124 HD11 LEU 14 1HD1 LEU 14 5.906 -1.426 -3.844 125 HD12 LEU 14 2HD1 LEU 14 6.833 -1.498 -2.326 126 HD13 LEU 14 3HD1 LEU 14 7.436 -0.529 -3.693 127 HD21 LEU 14 3HD2 LEU 14 8.385 -3.494 -5.790 128 HD22 LEU 14 1HD2 LEU 14 6.974 -2.421 -5.962 129 HD23 LEU 14 2HD2 LEU 14 8.586 -1.730 -5.655 130 H VAL 15 H VAL 15 7.588 -0.410 -0.694 131 HA VAL 15 HA VAL 15 7.514 -2.353 1.500 132 HB VAL 15 HB VAL 15 6.437 0.419 1.727 133 HG11 VAL 15 1HG1 VAL 15 6.196 -1.081 3.616 134 HG12 VAL 15 2HG1 VAL 15 7.939 -1.443 3.597 135 HG13 VAL 15 3HG1 VAL 15 7.374 0.191 4.021 136 HG21 VAL 15 3HG2 VAL 15 9.402 -0.240 1.761 137 HG22 VAL 15 1HG2 VAL 15 8.560 0.786 0.576 138 HG23 VAL 15 2HG2 VAL 15 8.678 1.302 2.275 139 H ARG 16 H ARG 16 5.506 -3.102 2.306 140 HA ARG 16 HA ARG 16 3.394 -2.795 0.354 141 HE ARG 16 HE ARG 16 4.989 -7.837 2.863 142 HB2 ARG 16 1HB ARG 16 3.216 -4.732 2.668 143 HB3 ARG 16 2HB ARG 16 2.607 -4.912 1.034 144 HG2 ARG 16 1HG ARG 16 5.118 -4.931 0.302 145 HG3 ARG 16 2HG ARG 16 5.479 -5.187 1.998 146 HD2 ARG 16 1HD ARG 16 3.372 -7.017 1.329 147 HD3 ARG 16 2HD ARG 16 4.546 -7.114 0.032 148 HH11 ARG 16 1HH1 ARG 16 6.462 -7.247 -0.305 149 HH12 ARG 16 2HH1 ARG 16 7.916 -8.110 0.072 150 HH21 ARG 16 1HH2 ARG 16 6.855 -8.943 3.342 151 HH22 ARG 16 2HH2 ARG 16 8.155 -9.118 2.233 152 H TYR 17 H TYR 17 1.266 -2.099 0.961 153 HA TYR 17 HA TYR 17 0.791 -1.458 3.748 154 HD1 TYR 17 HD2 TYR 17 -1.509 1.333 1.814 155 HD2 TYR 17 HD1 TYR 17 2.300 0.400 0.104 156 HE1 TYR 17 HE2 TYR 17 -2.315 2.159 -0.452 157 HE2 TYR 17 HE1 TYR 17 1.481 1.229 -2.156 158 HH TYR 17 HH TYR 17 -1.416 3.004 -2.481 159 HB2 TYR 17 1HB TYR 17 0.462 0.917 3.232 160 HB3 TYR 17 2HB TYR 17 2.006 0.489 2.521 161 H ARG 18 H ARG 18 -1.526 -0.392 3.909 162 HA ARG 18 HA ARG 18 -3.185 -1.489 1.801 163 HE ARG 18 HE ARG 18 -5.355 -3.982 5.381 164 HB2 ARG 18 1HB ARG 18 -3.727 -1.848 4.792 165 HB3 ARG 18 2HB ARG 18 -4.762 -2.413 3.496 166 HG2 ARG 18 1HG ARG 18 -3.024 -3.954 2.696 167 HG3 ARG 18 2HG ARG 18 -1.858 -3.297 3.828 168 HD2 ARG 18 1HD ARG 18 -3.805 -5.396 4.268 169 HD3 ARG 18 2HD ARG 18 -2.531 -4.852 5.340 170 HH11 ARG 18 1HH1 ARG 18 -2.069 -3.425 6.585 171 HH12 ARG 18 2HH1 ARG 18 -2.595 -2.511 7.959 172 HH21 ARG 18 1HH2 ARG 18 -6.024 -2.810 7.146 173 HH22 ARG 18 2HH2 ARG 18 -4.938 -2.143 8.298 174 H ARG 19 H ARG 19 -4.842 -0.080 1.200 175 HA ARG 19 HA ARG 19 -5.476 2.017 3.104 176 HE ARG 19 HE ARG 19 -5.438 5.167 2.197 177 HB2 ARG 19 1HB ARG 19 -4.724 2.330 0.166 178 HB3 ARG 19 2HB ARG 19 -5.671 3.553 0.990 179 HG2 ARG 19 1HG ARG 19 -3.677 3.262 2.822 180 HG3 ARG 19 2HG ARG 19 -2.794 2.791 1.383 181 HD2 ARG 19 1HD ARG 19 -2.531 5.198 1.670 182 HD3 ARG 19 2HD ARG 19 -3.541 4.931 0.263 183 HH11 ARG 19 1HH1 ARG 19 -2.574 7.146 1.541 184 HH12 ARG 19 2HH1 ARG 19 -3.279 8.597 2.172 185 HH21 ARG 19 1HH2 ARG 19 -6.338 7.030 3.006 186 HH22 ARG 19 2HH2 ARG 19 -5.511 8.535 3.043 187 H CYS 20 H CYS 20 -7.628 3.120 2.547 188 HA CYS 20 HA CYS 20 -9.333 1.295 1.017 189 HB2 CYS 20 1HB CYS 20 -10.396 2.756 3.407 190 HB3 CYS 20 2HB CYS 20 -11.015 1.324 2.609 191 H TRP 21 H TRP 21 -10.597 2.346 -0.518 192 HA TRP 21 HA TRP 21 -10.673 5.281 -0.334 193 HD1 TRP 21 1HD TRP 21 -12.399 5.089 -4.059 194 HE1 TRP 21 HE1 TRP 21 -13.076 3.216 -5.791 195 HE3 TRP 21 HE3 TRP 21 -8.922 1.699 -2.550 196 HZ2 TRP 21 HZ2 TRP 21 -12.103 0.586 -6.323 197 HZ3 TRP 21 HZ3 TRP 21 -8.852 -0.497 -3.728 198 HH2 TRP 21 2HH TRP 21 -10.369 -1.076 -5.555 199 HB2 TRP 21 1HB TRP 21 -10.142 5.530 -2.523 200 HB3 TRP 21 2HB TRP 21 -9.186 4.112 -2.140 Start of MODEL 4 1 HA ARG 1 HA ARG 1 -14.703 2.359 -1.891 2 HE ARG 1 HE ARG 1 -15.693 7.153 -1.446 3 H1 ARG 1 1H ARG 1 -16.859 3.172 -1.888 4 H2 ARG 1 2H ARG 1 -16.847 1.525 -2.041 5 H3 ARG 1 3H ARG 1 -17.279 2.217 -0.602 6 HB2 ARG 1 1HB ARG 1 -15.682 3.451 0.791 7 HB3 ARG 1 2HB ARG 1 -13.983 3.339 0.379 8 HG2 ARG 1 1HG ARG 1 -14.464 5.532 -0.292 9 HG3 ARG 1 2HG ARG 1 -14.676 4.666 -1.801 10 HD2 ARG 1 1HD ARG 1 -17.079 4.676 -1.598 11 HD3 ARG 1 2HD ARG 1 -17.015 5.127 0.095 12 HH11 ARG 1 1HH1 ARG 1 -18.949 5.903 -0.825 13 HH12 ARG 1 2HH1 ARG 1 -19.727 7.414 -1.160 14 HH21 ARG 1 1HH2 ARG 1 -16.695 9.088 -1.876 15 HH22 ARG 1 2HH2 ARG 1 -18.396 9.307 -1.784 16 H TRP 2 H TRP 2 -13.063 0.943 -0.996 17 HA TRP 2 HA TRP 2 -13.853 -0.830 1.153 18 HD1 TRP 2 HD1 TRP 2 -11.604 -3.612 -1.763 19 HE1 TRP 2 HE1 TRP 2 -10.900 -3.130 -4.260 20 HE3 TRP 2 HE3 TRP 2 -14.897 0.190 -2.510 21 HZ2 TRP 2 HZ2 TRP 2 -11.780 -1.255 -6.224 22 HZ3 TRP 2 HZ3 TRP 2 -14.910 1.293 -4.745 23 HH2 TRP 2 HH2 TRP 2 -13.422 0.628 -6.567 24 HB2 TRP 2 1HB TRP 2 -13.483 -2.861 -0.085 25 HB3 TRP 2 2HB TRP 2 -14.796 -1.943 -0.794 26 H CYS 3 H CYS 3 -11.851 -2.358 1.592 27 HA CYS 3 HA CYS 3 -9.547 -0.616 1.525 28 HB2 CYS 3 1HB CYS 3 -10.070 -3.223 2.965 29 HB3 CYS 3 2HB CYS 3 -8.566 -2.328 3.060 30 H VAL 4 H VAL 4 -7.451 -1.371 0.700 31 HA VAL 4 HA VAL 4 -7.448 -3.825 -0.825 32 HB VAL 4 HB VAL 4 -6.783 -2.722 -2.900 33 HG11 VAL 4 1HG1 VAL 4 -9.429 -1.532 -2.046 34 HG12 VAL 4 2HG1 VAL 4 -8.947 -2.154 -3.643 35 HG13 VAL 4 3HG1 VAL 4 -9.214 -3.282 -2.292 36 HG21 VAL 4 3HG2 VAL 4 -7.784 -0.054 -2.104 37 HG22 VAL 4 1HG2 VAL 4 -6.222 -0.523 -1.391 38 HG23 VAL 4 2HG2 VAL 4 -6.424 -0.506 -3.159 39 H TYR 5 H TYR 5 -5.209 -4.323 -1.623 40 HA TYR 5 HA TYR 5 -3.251 -3.049 0.163 41 HD1 TYR 5 HD2 TYR 5 -5.504 -4.726 0.972 42 HD2 TYR 5 HD1 TYR 5 -1.672 -6.566 1.460 43 HE1 TYR 5 HE2 TYR 5 -6.127 -5.412 3.339 44 HE2 TYR 5 HE1 TYR 5 -2.308 -7.245 3.826 45 HH TYR 5 HH TYR 5 -4.795 -7.694 4.962 46 HB2 TYR 5 1HB TYR 5 -3.719 -5.823 -1.049 47 HB3 TYR 5 2HB TYR 5 -2.113 -5.392 -0.497 48 H ALA 6 H ALA 6 -1.397 -2.157 -0.687 49 HA ALA 6 HA ALA 6 -0.665 -2.797 -3.412 50 HB1 ALA 6 3HB ALA 6 -0.545 -0.161 -3.741 51 HB2 ALA 6 1HB ALA 6 -2.047 -1.057 -4.074 52 HB3 ALA 6 2HB ALA 6 -1.857 -0.178 -2.538 53 H TYR 7 H TYR 7 1.499 -1.801 -3.953 54 HA TYR 7 HA TYR 7 3.028 -1.391 -1.471 55 HD1 TYR 7 HD1 TYR 7 3.798 -4.176 -0.902 56 HD2 TYR 7 HD2 TYR 7 2.413 -4.055 -4.948 57 HE1 TYR 7 HE1 TYR 7 2.705 -6.453 -0.604 58 HE2 TYR 7 HE2 TYR 7 1.325 -6.332 -4.636 59 HH TYR 7 HH TYR 7 1.506 -8.239 -3.275 60 HB2 TYR 7 1HB TYR 7 3.992 -2.445 -4.190 61 HB3 TYR 7 2HB TYR 7 4.803 -2.627 -2.647 62 H VAL 8 H VAL 8 5.000 -0.035 -1.706 63 HA VAL 8 HA VAL 8 4.940 1.742 -4.014 64 HB VAL 8 HB VAL 8 3.646 3.087 -2.705 65 HG11 VAL 8 1HG1 VAL 8 4.514 3.199 -0.080 66 HG12 VAL 8 2HG1 VAL 8 3.134 2.251 -0.686 67 HG13 VAL 8 3HG1 VAL 8 4.730 1.483 -0.501 68 HG21 VAL 8 3HG2 VAL 8 5.064 4.823 -1.641 69 HG22 VAL 8 1HG2 VAL 8 6.464 3.731 -1.771 70 HG23 VAL 8 2HG2 VAL 8 5.664 4.333 -3.243 71 H ARG 9 H ARG 9 6.973 3.060 -4.149 72 HA ARG 9 HA ARG 9 9.126 1.424 -3.140 73 HE ARG 9 HE ARG 9 10.609 3.268 -7.862 74 HB2 ARG 9 1HB ARG 9 9.576 1.749 -5.398 75 HB3 ARG 9 2HB ARG 9 8.732 3.283 -5.457 76 HG2 ARG 9 1HG ARG 9 10.587 4.499 -4.652 77 HG3 ARG 9 2HG ARG 9 11.293 3.104 -3.861 78 HD2 ARG 9 1HD ARG 9 12.648 3.545 -5.814 79 HD3 ARG 9 2HD ARG 9 11.721 2.101 -6.170 80 HH11 ARG 9 1HH1 ARG 9 12.081 5.617 -5.656 81 HH12 ARG 9 2HH1 ARG 9 11.677 6.983 -6.642 82 HH21 ARG 9 1HH2 ARG 9 10.094 5.022 -9.124 83 HH22 ARG 9 2HH2 ARG 9 10.499 6.637 -8.700 84 H ILE 10 H ILE 10 9.925 2.070 -1.157 85 HA ILE 10 HA ILE 10 10.439 4.934 -0.828 86 HB ILE 10 HB ILE 10 8.928 3.102 1.003 87 HG12 ILE 10 1HG1 ILE 10 8.161 5.110 -0.738 88 HG13 ILE 10 2HG1 ILE 10 7.201 4.442 0.567 89 HG21 ILE 10 1HG2 ILE 10 9.256 4.655 2.849 90 HG22 ILE 10 2HG2 ILE 10 10.810 3.966 2.321 91 HG23 ILE 10 3HG2 ILE 10 10.370 5.627 1.858 92 HD11 ILE 10 3HD1 ILE 10 8.144 6.158 2.131 93 HD12 ILE 10 1HD1 ILE 10 9.064 6.853 0.775 94 HD13 ILE 10 2HD1 ILE 10 7.284 6.894 0.757 95 H ARG 11 H ARG 11 12.480 5.387 -0.118 96 HA ARG 11 HA ARG 11 14.524 5.092 0.512 97 HE ARG 11 HE ARG 11 15.970 3.947 4.125 98 HB2 ARG 11 1HB ARG 11 13.249 2.831 2.101 99 HB3 ARG 11 2HB ARG 11 14.980 3.091 2.171 100 HG2 ARG 11 1HG ARG 11 14.587 5.465 2.882 101 HG3 ARG 11 2HG ARG 11 12.858 5.188 2.831 102 HD2 ARG 11 1HD ARG 11 13.410 4.870 5.123 103 HD3 ARG 11 2HD ARG 11 13.281 3.237 4.500 104 HH11 ARG 11 1HH1 ARG 11 13.775 3.666 6.892 105 HH12 ARG 11 2HH1 ARG 11 15.037 3.275 8.012 106 HH21 ARG 11 1HH2 ARG 11 17.586 3.445 5.565 107 HH22 ARG 11 2HH2 ARG 11 17.299 3.142 7.232 108 H GLY 12 H GLY 12 13.705 3.967 -2.011 109 HA3 GLY 12 2HA GLY 12 15.937 2.411 -2.678 110 H VAL 13 H VAL 13 12.908 1.557 -1.155 111 HA VAL 13 HA VAL 13 13.329 -1.251 -1.904 112 HB VAL 13 HB VAL 13 12.482 -0.389 0.848 113 HG11 VAL 13 1HG1 VAL 13 13.835 -2.678 1.194 114 HG12 VAL 13 2HG1 VAL 13 12.108 -2.638 0.766 115 HG13 VAL 13 3HG1 VAL 13 13.332 -2.911 -0.498 116 HG21 VAL 13 3HG2 VAL 13 15.140 -0.097 -0.352 117 HG22 VAL 13 1HG2 VAL 13 14.496 0.543 1.179 118 HG23 VAL 13 2HG2 VAL 13 15.143 -1.114 1.109 119 H LEU 14 H LEU 14 11.341 -2.601 -1.609 120 HA LEU 14 HA LEU 14 9.018 -0.979 -2.309 121 HG LEU 14 HG LEU 14 7.263 -3.737 -3.606 122 HB2 LEU 14 1HB LEU 14 10.010 -2.952 -3.691 123 HB3 LEU 14 2HB LEU 14 9.185 -3.965 -2.524 124 HD11 LEU 14 1HD1 LEU 14 7.587 -0.727 -3.658 125 HD12 LEU 14 2HD1 LEU 14 6.081 -1.664 -3.815 126 HD13 LEU 14 3HD1 LEU 14 6.963 -1.649 -2.269 127 HD21 LEU 14 3HD2 LEU 14 7.228 -2.713 -5.852 128 HD22 LEU 14 1HD2 LEU 14 8.828 -1.999 -5.534 129 HD23 LEU 14 2HD2 LEU 14 8.640 -3.768 -5.599 130 H VAL 15 H VAL 15 7.685 -0.423 -0.677 131 HA VAL 15 HA VAL 15 7.506 -2.291 1.579 132 HB VAL 15 HB VAL 15 6.493 0.511 1.698 133 HG11 VAL 15 1HG1 VAL 15 6.163 -0.901 3.627 134 HG12 VAL 15 2HG1 VAL 15 7.885 -1.352 3.650 135 HG13 VAL 15 3HG1 VAL 15 7.398 0.319 4.021 136 HG21 VAL 15 3HG2 VAL 15 9.430 -0.246 1.690 137 HG22 VAL 15 1HG2 VAL 15 8.598 0.924 0.637 138 HG23 VAL 15 2HG2 VAL 15 8.803 1.274 2.370 139 H ARG 16 H ARG 16 5.436 -2.909 2.378 140 HA ARG 16 HA ARG 16 3.410 -2.655 0.329 141 HE ARG 16 HE ARG 16 5.429 -6.688 -0.461 142 HB2 ARG 16 1HB ARG 16 3.077 -4.439 2.746 143 HB3 ARG 16 2HB ARG 16 2.525 -4.699 1.103 144 HG2 ARG 16 1HG ARG 16 5.061 -4.845 0.476 145 HG3 ARG 16 2HG ARG 16 5.347 -5.005 2.197 146 HD2 ARG 16 1HD ARG 16 4.700 -7.187 2.178 147 HD3 ARG 16 2HD ARG 16 3.182 -6.791 1.396 148 HH11 ARG 16 1HH1 ARG 16 3.118 -8.874 1.099 149 HH12 ARG 16 2HH1 ARG 16 3.232 -10.079 -0.140 150 HH21 ARG 16 1HH2 ARG 16 5.572 -8.236 -2.048 151 HH22 ARG 16 2HH2 ARG 16 4.685 -9.707 -2.009 152 H TYR 17 H TYR 17 1.238 -1.948 0.851 153 HA TYR 17 HA TYR 17 0.739 -1.050 3.563 154 HD1 TYR 17 HD2 TYR 17 -1.540 1.534 1.317 155 HD2 TYR 17 HD1 TYR 17 2.310 0.456 -0.207 156 HE1 TYR 17 HE2 TYR 17 -2.296 2.131 -1.036 157 HE2 TYR 17 HE1 TYR 17 1.541 1.057 -2.555 158 HH TYR 17 HH TYR 17 -1.783 2.178 -3.131 159 HB2 TYR 17 1HB TYR 17 0.398 1.266 2.814 160 HB3 TYR 17 2HB TYR 17 1.960 0.780 2.183 161 H ARG 18 H ARG 18 -1.543 -0.479 3.914 162 HA ARG 18 HA ARG 18 -3.221 -1.464 1.752 163 HE ARG 18 HE ARG 18 -4.558 -4.417 5.120 164 HB2 ARG 18 1HB ARG 18 -3.756 -1.939 4.724 165 HB3 ARG 18 2HB ARG 18 -4.652 -2.615 3.379 166 HG2 ARG 18 1HG ARG 18 -3.118 -4.277 3.029 167 HG3 ARG 18 2HG ARG 18 -1.756 -3.189 3.212 168 HD2 ARG 18 1HD ARG 18 -1.769 -4.889 5.020 169 HD3 ARG 18 2HD ARG 18 -1.974 -3.280 5.684 170 HH11 ARG 18 1HH1 ARG 18 -1.873 -4.703 7.414 171 HH12 ARG 18 2HH1 ARG 18 -2.872 -5.290 8.702 172 HH21 ARG 18 1HH2 ARG 18 -5.836 -5.170 6.774 173 HH22 ARG 18 2HH2 ARG 18 -5.223 -5.569 8.329 174 H ARG 19 H ARG 19 -4.875 -0.050 1.209 175 HA ARG 19 HA ARG 19 -5.697 1.827 3.255 176 HE ARG 19 HE ARG 19 -5.719 5.036 2.717 177 HB2 ARG 19 1HB ARG 19 -4.750 2.505 0.437 178 HB3 ARG 19 2HB ARG 19 -5.794 3.594 1.329 179 HG2 ARG 19 1HG ARG 19 -3.913 3.134 3.249 180 HG3 ARG 19 2HG ARG 19 -2.922 2.877 1.826 181 HD2 ARG 19 1HD ARG 19 -2.786 5.239 2.448 182 HD3 ARG 19 2HD ARG 19 -3.660 5.116 0.934 183 HH11 ARG 19 1HH1 ARG 19 -2.920 7.199 2.517 184 HH12 ARG 19 2HH1 ARG 19 -3.746 8.537 3.243 185 HH21 ARG 19 1HH2 ARG 19 -6.774 6.755 3.648 186 HH22 ARG 19 2HH2 ARG 19 -6.031 8.281 3.916 187 H CYS 20 H CYS 20 -7.853 2.888 2.680 188 HA CYS 20 HA CYS 20 -9.359 1.173 0.843 189 HB2 CYS 20 1HB CYS 20 -10.734 2.415 3.178 190 HB3 CYS 20 2HB CYS 20 -11.114 0.949 2.296 191 H TRP 21 H TRP 21 -10.550 2.303 -0.698 192 HA TRP 21 HA TRP 21 -10.740 5.212 -0.301 193 HD1 TRP 21 1HD TRP 21 -12.140 5.274 -4.154 194 HE1 TRP 21 HE1 TRP 21 -12.597 3.539 -6.089 195 HE3 TRP 21 HE3 TRP 21 -8.660 1.886 -2.649 196 HZ2 TRP 21 HZ2 TRP 21 -11.477 1.001 -6.758 197 HZ3 TRP 21 HZ3 TRP 21 -8.406 -0.194 -3.999 198 HH2 TRP 21 2HH TRP 21 -9.745 -0.663 -5.990 199 HB2 TRP 21 1HB TRP 21 -10.027 5.655 -2.405 200 HB3 TRP 21 2HB TRP 21 -9.060 4.236 -2.055 Start of MODEL 5 1 HA ARG 1 HA ARG 1 -15.557 2.325 1.317 2 HE ARG 1 HE ARG 1 -19.545 2.362 -1.041 3 H1 ARG 1 1H ARG 1 -16.851 2.812 -0.527 4 H2 ARG 1 2H ARG 1 -15.455 2.041 -0.969 5 H3 ARG 1 3H ARG 1 -16.892 1.222 -0.989 6 HB2 ARG 1 1HB ARG 1 -17.301 1.137 2.656 7 HB3 ARG 1 2HB ARG 1 -18.015 2.331 1.590 8 HG2 ARG 1 1HG ARG 1 -17.811 -0.157 0.131 9 HG3 ARG 1 2HG ARG 1 -18.530 -0.503 1.691 10 HD2 ARG 1 1HD ARG 1 -20.449 0.095 0.517 11 HD3 ARG 1 2HD ARG 1 -20.000 1.670 1.141 12 HH11 ARG 1 1HH1 ARG 1 -19.464 -1.179 -0.954 13 HH12 ARG 1 2HH1 ARG 1 -19.266 -1.341 -2.667 14 HH21 ARG 1 1HH2 ARG 1 -19.292 2.150 -3.238 15 HH22 ARG 1 2HH2 ARG 1 -19.164 0.630 -4.028 16 H TRP 2 H TRP 2 -13.771 1.015 -0.026 17 HA TRP 2 HA TRP 2 -13.602 -1.574 1.260 18 HD1 TRP 2 HD1 TRP 2 -11.571 -3.265 -2.271 19 HE1 TRP 2 HE1 TRP 2 -10.552 -2.064 -4.387 20 HE3 TRP 2 HE3 TRP 2 -14.489 0.888 -1.971 21 HZ2 TRP 2 HZ2 TRP 2 -11.068 0.433 -5.670 22 HZ3 TRP 2 HZ3 TRP 2 -14.168 2.660 -3.695 23 HH2 TRP 2 HH2 TRP 2 -12.528 2.482 -5.498 24 HB2 TRP 2 1HB TRP 2 -13.534 -2.906 -0.574 25 HB3 TRP 2 2HB TRP 2 -14.737 -1.741 -1.091 26 H CYS 3 H CYS 3 -11.317 -2.397 1.120 27 HA CYS 3 HA CYS 3 -9.460 -0.228 0.472 28 HB2 CYS 3 1HB CYS 3 -9.055 -2.081 2.813 29 HB3 CYS 3 2HB CYS 3 -8.184 -0.612 2.421 30 H VAL 4 H VAL 4 -7.337 -1.000 -0.261 31 HA VAL 4 HA VAL 4 -7.175 -3.871 -0.756 32 HB VAL 4 HB VAL 4 -6.654 -3.564 -3.071 33 HG11 VAL 4 1HG1 VAL 4 -8.805 -2.965 -3.938 34 HG12 VAL 4 2HG1 VAL 4 -9.064 -3.719 -2.347 35 HG13 VAL 4 3HG1 VAL 4 -9.162 -1.950 -2.520 36 HG21 VAL 4 3HG2 VAL 4 -6.490 -1.505 -4.202 37 HG22 VAL 4 1HG2 VAL 4 -7.255 -0.608 -2.869 38 HG23 VAL 4 2HG2 VAL 4 -5.606 -1.250 -2.679 39 H TYR 5 H TYR 5 -4.975 -4.618 -1.083 40 HA TYR 5 HA TYR 5 -3.066 -2.786 0.155 41 HD1 TYR 5 HD2 TYR 5 -4.820 -3.703 1.585 42 HD2 TYR 5 HD1 TYR 5 -3.464 -7.618 0.517 43 HE1 TYR 5 HE2 TYR 5 -6.730 -4.734 2.908 44 HE2 TYR 5 HE1 TYR 5 -5.379 -8.635 1.845 45 HH TYR 5 HH TYR 5 -7.151 -6.904 4.065 46 HB2 TYR 5 1HB TYR 5 -2.567 -5.692 -0.591 47 HB3 TYR 5 2HB TYR 5 -2.031 -4.838 0.842 48 H ALA 6 H ALA 6 -1.138 -2.159 -0.823 49 HA ALA 6 HA ALA 6 -0.441 -3.332 -3.375 50 HB1 ALA 6 3HB ALA 6 -0.299 -0.562 -3.866 51 HB2 ALA 6 1HB ALA 6 -1.436 -1.722 -4.592 52 HB3 ALA 6 2HB ALA 6 -1.897 -0.822 -3.127 53 H TYR 7 H TYR 7 1.748 -2.589 -4.083 54 HA TYR 7 HA TYR 7 3.335 -1.913 -1.712 55 HD1 TYR 7 HD1 TYR 7 3.360 -4.385 -1.099 56 HD2 TYR 7 HD2 TYR 7 3.416 -4.886 -5.348 57 HE1 TYR 7 HE1 TYR 7 2.285 -6.676 -0.851 58 HE2 TYR 7 HE2 TYR 7 2.342 -7.175 -5.085 59 HH TYR 7 HH TYR 7 0.910 -8.310 -3.429 60 HB2 TYR 7 1HB TYR 7 4.260 -2.930 -4.451 61 HB3 TYR 7 2HB TYR 7 5.076 -3.141 -2.915 62 H VAL 8 H VAL 8 5.029 -0.336 -1.841 63 HA VAL 8 HA VAL 8 5.024 1.313 -4.248 64 HB VAL 8 HB VAL 8 3.415 2.415 -2.910 65 HG11 VAL 8 1HG1 VAL 8 3.447 2.709 -0.624 66 HG12 VAL 8 2HG1 VAL 8 4.322 1.165 -0.766 67 HG13 VAL 8 3HG1 VAL 8 5.225 2.682 -0.532 68 HG21 VAL 8 3HG2 VAL 8 4.423 4.570 -2.538 69 HG22 VAL 8 1HG2 VAL 8 6.040 3.842 -2.378 70 HG23 VAL 8 2HG2 VAL 8 5.207 3.824 -3.951 71 H ARG 9 H ARG 9 6.944 2.816 -4.273 72 HA ARG 9 HA ARG 9 9.154 1.370 -3.140 73 HE ARG 9 HE ARG 9 10.935 4.889 -7.335 74 HB2 ARG 9 1HB ARG 9 9.689 1.857 -5.358 75 HB3 ARG 9 2HB ARG 9 8.760 3.342 -5.370 76 HG2 ARG 9 1HG ARG 9 10.483 4.573 -4.248 77 HG3 ARG 9 2HG ARG 9 11.293 3.117 -3.706 78 HD2 ARG 9 1HD ARG 9 12.659 3.420 -5.514 79 HD3 ARG 9 2HD ARG 9 11.336 2.760 -6.454 80 HH11 ARG 9 1HH1 ARG 9 12.876 5.231 -4.390 81 HH12 ARG 9 2HH1 ARG 9 13.126 6.931 -4.604 82 HH21 ARG 9 1HH2 ARG 9 11.258 7.071 -7.604 83 HH22 ARG 9 2HH2 ARG 9 12.169 8.029 -6.508 84 H ILE 10 H ILE 10 9.701 1.969 -1.055 85 HA ILE 10 HA ILE 10 9.920 4.849 -0.551 86 HB ILE 10 HB ILE 10 8.481 2.762 1.033 87 HG12 ILE 10 1HG1 ILE 10 7.693 4.917 -0.528 88 HG13 ILE 10 2HG1 ILE 10 6.699 4.028 0.609 89 HG21 ILE 10 1HG2 ILE 10 10.072 3.464 2.650 90 HG22 ILE 10 2HG2 ILE 10 9.907 5.172 2.176 91 HG23 ILE 10 3HG2 ILE 10 8.562 4.342 2.996 92 HD11 ILE 10 3HD1 ILE 10 7.129 5.599 2.383 93 HD12 ILE 10 1HD1 ILE 10 8.455 6.362 1.473 94 HD13 ILE 10 2HD1 ILE 10 6.771 6.571 0.935 95 H ARG 11 H ARG 11 11.884 5.463 0.220 96 HA ARG 11 HA ARG 11 13.916 5.353 0.945 97 HE ARG 11 HE ARG 11 14.560 5.869 6.026 98 HB2 ARG 11 1HB ARG 11 12.689 3.046 2.461 99 HB3 ARG 11 2HB ARG 11 14.434 3.207 2.507 100 HG2 ARG 11 1HG ARG 11 14.036 5.689 3.154 101 HG3 ARG 11 2HG ARG 11 12.359 5.248 3.409 102 HD2 ARG 11 1HD ARG 11 13.024 3.548 5.087 103 HD3 ARG 11 2HD ARG 11 14.719 3.872 4.783 104 HH11 ARG 11 1HH1 ARG 11 11.316 4.574 5.431 105 HH12 ARG 11 2HH1 ARG 11 10.544 5.665 6.533 106 HH21 ARG 11 1HH2 ARG 11 13.565 7.266 7.439 107 HH22 ARG 11 2HH2 ARG 11 11.872 7.263 7.727 108 H GLY 12 H GLY 12 13.299 4.206 -1.641 109 HA3 GLY 12 2HA GLY 12 15.713 2.898 -2.237 110 H VAL 13 H VAL 13 12.716 1.724 -0.884 111 HA VAL 13 HA VAL 13 13.417 -1.006 -1.707 112 HB VAL 13 HB VAL 13 12.363 -0.349 1.026 113 HG11 VAL 13 1HG1 VAL 13 13.877 -2.662 -0.212 114 HG12 VAL 13 2HG1 VAL 13 13.668 -2.472 1.545 115 HG13 VAL 13 3HG1 VAL 13 12.244 -2.661 0.495 116 HG21 VAL 13 3HG2 VAL 13 15.031 -0.742 1.482 117 HG22 VAL 13 1HG2 VAL 13 15.067 0.216 -0.018 118 HG23 VAL 13 2HG2 VAL 13 14.233 0.849 1.422 119 H LEU 14 H LEU 14 11.531 -2.542 -1.469 120 HA LEU 14 HA LEU 14 9.104 -1.103 -2.239 121 HG LEU 14 HG LEU 14 7.659 -3.931 -3.738 122 HB2 LEU 14 1HB LEU 14 10.331 -2.922 -3.653 123 HB3 LEU 14 2HB LEU 14 9.541 -4.049 -2.570 124 HD11 LEU 14 1HD1 LEU 14 7.726 -0.905 -3.649 125 HD12 LEU 14 2HD1 LEU 14 6.315 -1.959 -3.912 126 HD13 LEU 14 3HD1 LEU 14 7.127 -1.937 -2.328 127 HD21 LEU 14 3HD2 LEU 14 9.123 -3.755 -5.659 128 HD22 LEU 14 1HD2 LEU 14 7.641 -2.809 -5.937 129 HD23 LEU 14 2HD2 LEU 14 9.158 -1.982 -5.509 130 H VAL 15 H VAL 15 7.651 -0.755 -0.655 131 HA VAL 15 HA VAL 15 7.438 -2.840 1.407 132 HB VAL 15 HB VAL 15 6.662 0.007 1.895 133 HG11 VAL 15 1HG1 VAL 15 6.275 -2.035 3.459 134 HG12 VAL 15 2HG1 VAL 15 8.013 -1.888 3.811 135 HG13 VAL 15 3HG1 VAL 15 6.919 -0.527 4.152 136 HG21 VAL 15 3HG2 VAL 15 8.913 0.170 0.927 137 HG22 VAL 15 1HG2 VAL 15 8.931 0.542 2.668 138 HG23 VAL 15 2HG2 VAL 15 9.507 -1.040 2.089 139 H ARG 16 H ARG 16 5.304 -3.380 2.125 140 HA ARG 16 HA ARG 16 3.357 -2.778 0.085 141 HE ARG 16 HE ARG 16 5.000 -7.230 2.728 142 HB2 ARG 16 1HB ARG 16 2.799 -4.670 2.375 143 HB3 ARG 16 2HB ARG 16 2.276 -4.780 0.706 144 HG2 ARG 16 1HG ARG 16 4.760 -5.156 0.091 145 HG3 ARG 16 2HG ARG 16 5.062 -5.344 1.807 146 HD2 ARG 16 1HD ARG 16 2.767 -6.970 1.110 147 HD3 ARG 16 2HD ARG 16 4.048 -7.308 -0.037 148 HH11 ARG 16 1HH1 ARG 16 3.532 -9.292 0.248 149 HH12 ARG 16 2HH1 ARG 16 4.084 -10.766 0.971 150 HH21 ARG 16 1HH2 ARG 16 5.705 -9.123 3.652 151 HH22 ARG 16 2HH2 ARG 16 5.373 -10.673 2.990 152 H TYR 17 H TYR 17 1.184 -2.012 0.641 153 HA TYR 17 HA TYR 17 0.749 -1.171 3.381 154 HD1 TYR 17 HD1 TYR 17 -1.308 1.555 0.939 155 HD2 TYR 17 HD2 TYR 17 2.623 0.291 -0.180 156 HE1 TYR 17 HE1 TYR 17 -1.788 2.177 -1.480 157 HE2 TYR 17 HE2 TYR 17 2.130 0.917 -2.594 158 HH TYR 17 HH TYR 17 0.448 2.692 -3.684 159 HB2 TYR 17 1HB TYR 17 0.429 1.187 2.628 160 HB3 TYR 17 2HB TYR 17 2.039 0.667 2.169 161 H ARG 18 H ARG 18 -1.511 -0.088 3.551 162 HA ARG 18 HA ARG 18 -3.229 -1.259 1.516 163 HE ARG 18 HE ARG 18 -4.915 -3.352 5.365 164 HB2 ARG 18 1HB ARG 18 -3.873 -1.159 4.504 165 HB3 ARG 18 2HB ARG 18 -4.830 -1.936 3.259 166 HG2 ARG 18 1HG ARG 18 -3.535 -3.814 3.277 167 HG3 ARG 18 2HG ARG 18 -2.045 -2.891 3.236 168 HD2 ARG 18 1HD ARG 18 -2.180 -4.180 5.338 169 HD3 ARG 18 2HD ARG 18 -2.224 -2.463 5.688 170 HH11 ARG 18 1HH1 ARG 18 -2.211 -3.778 7.614 171 HH12 ARG 18 2HH1 ARG 18 -3.232 -4.091 8.978 172 HH21 ARG 18 1HH2 ARG 18 -6.221 -3.755 7.117 173 HH22 ARG 18 2HH2 ARG 18 -5.611 -4.079 8.690 174 H ARG 19 H ARG 19 -4.854 0.125 0.761 175 HA ARG 19 HA ARG 19 -5.202 2.572 2.297 176 HE ARG 19 HE ARG 19 -5.176 5.467 0.714 177 HB2 ARG 19 1HB ARG 19 -4.851 2.199 -0.705 178 HB3 ARG 19 2HB ARG 19 -5.645 3.626 -0.070 179 HG2 ARG 19 1HG ARG 19 -3.445 3.643 1.525 180 HG3 ARG 19 2HG ARG 19 -2.765 2.796 0.150 181 HD2 ARG 19 1HD ARG 19 -2.383 5.175 -0.189 182 HD3 ARG 19 2HD ARG 19 -3.587 4.663 -1.354 183 HH11 ARG 19 1HH1 ARG 19 -2.404 7.041 -0.834 184 HH12 ARG 19 2HH1 ARG 19 -2.971 8.644 -0.502 185 HH21 ARG 19 1HH2 ARG 19 -5.898 7.524 1.139 186 HH22 ARG 19 2HH2 ARG 19 -5.042 8.937 0.668 187 H CYS 20 H CYS 20 -7.362 3.692 1.791 188 HA CYS 20 HA CYS 20 -9.353 1.669 1.059 189 HB2 CYS 20 1HB CYS 20 -9.549 3.838 3.158 190 HB3 CYS 20 2HB CYS 20 -10.900 2.864 2.611 191 H TRP 21 H TRP 21 -11.339 2.613 0.026 192 HA TRP 21 HA TRP 21 -10.630 4.523 -1.929 193 HD1 TRP 21 1HD TRP 21 -15.141 4.288 -3.066 194 HE1 TRP 21 HE1 TRP 21 -17.121 4.804 -1.399 195 HE3 TRP 21 HE3 TRP 21 -12.432 3.628 1.186 196 HZ2 TRP 21 HZ2 TRP 21 -17.327 4.877 1.446 197 HZ3 TRP 21 HZ3 TRP 21 -13.598 3.941 3.367 198 HH2 TRP 21 2HH TRP 21 -15.961 4.544 3.539 199 HB2 TRP 21 1HB TRP 21 -12.536 3.918 -2.944 200 HB3 TRP 21 2HB TRP 21 -12.423 2.558 -1.843 Start of MODEL 6 1 HA ARG 1 HA ARG 1 -15.531 2.331 1.304 2 HE ARG 1 HE ARG 1 -20.571 2.292 1.634 3 H1 ARG 1 1H ARG 1 -16.864 2.797 -0.517 4 H2 ARG 1 2H ARG 1 -15.479 2.018 -0.979 5 H3 ARG 1 3H ARG 1 -16.917 1.202 -0.959 6 HB2 ARG 1 1HB ARG 1 -17.247 1.186 2.700 7 HB3 ARG 1 2HB ARG 1 -17.994 2.335 1.609 8 HG2 ARG 1 1HG ARG 1 -17.741 -0.284 0.322 9 HG3 ARG 1 2HG ARG 1 -18.588 -0.430 1.849 10 HD2 ARG 1 1HD ARG 1 -19.320 1.665 -0.249 11 HD3 ARG 1 2HD ARG 1 -20.057 0.076 -0.198 12 HH11 ARG 1 1HH1 ARG 1 -20.661 -1.235 1.311 13 HH12 ARG 1 2HH1 ARG 1 -21.856 -1.442 2.548 14 HH21 ARG 1 1HH2 ARG 1 -22.104 2.022 3.219 15 HH22 ARG 1 2HH2 ARG 1 -22.716 0.485 3.683 16 H TRP 2 H TRP 2 -13.757 1.015 -0.018 17 HA TRP 2 HA TRP 2 -13.588 -1.574 1.268 18 HD1 TRP 2 HD1 TRP 2 -11.547 -3.259 -2.253 19 HE1 TRP 2 HE1 TRP 2 -10.533 -2.061 -4.374 20 HE3 TRP 2 HE3 TRP 2 -14.492 0.877 -1.976 21 HZ2 TRP 2 HZ2 TRP 2 -11.063 0.426 -5.668 22 HZ3 TRP 2 HZ3 TRP 2 -14.180 2.643 -3.707 23 HH2 TRP 2 HH2 TRP 2 -12.536 2.467 -5.508 24 HB2 TRP 2 1HB TRP 2 -13.520 -2.906 -0.565 25 HB3 TRP 2 2HB TRP 2 -14.724 -1.741 -1.081 26 H CYS 3 H CYS 3 -11.304 -2.398 1.130 27 HA CYS 3 HA CYS 3 -9.445 -0.232 0.478 28 HB2 CYS 3 1HB CYS 3 -9.040 -2.077 2.824 29 HB3 CYS 3 2HB CYS 3 -8.171 -0.607 2.428 30 H VAL 4 H VAL 4 -7.336 -1.000 -0.276 31 HA VAL 4 HA VAL 4 -7.172 -3.876 -0.755 32 HB VAL 4 HB VAL 4 -6.643 -3.568 -3.071 33 HG11 VAL 4 1HG1 VAL 4 -9.151 -1.941 -2.595 34 HG12 VAL 4 2HG1 VAL 4 -8.793 -3.064 -3.929 35 HG13 VAL 4 3HG1 VAL 4 -9.068 -3.692 -2.286 36 HG21 VAL 4 3HG2 VAL 4 -5.610 -1.248 -2.681 37 HG22 VAL 4 1HG2 VAL 4 -6.496 -1.508 -4.203 38 HG23 VAL 4 2HG2 VAL 4 -7.264 -0.616 -2.867 39 H TYR 5 H TYR 5 -4.969 -4.622 -1.100 40 HA TYR 5 HA TYR 5 -3.060 -2.798 0.152 41 HD1 TYR 5 HD2 TYR 5 -4.814 -3.727 1.568 42 HD2 TYR 5 HD1 TYR 5 -3.446 -7.633 0.485 43 HE1 TYR 5 HE2 TYR 5 -6.719 -4.768 2.890 44 HE2 TYR 5 HE1 TYR 5 -5.356 -8.662 1.811 45 HH TYR 5 HH TYR 5 -7.848 -7.613 2.485 46 HB2 TYR 5 1HB TYR 5 -2.562 -5.698 -0.622 47 HB3 TYR 5 2HB TYR 5 -2.020 -4.857 0.817 48 H ALA 6 H ALA 6 -1.132 -2.162 -0.823 49 HA ALA 6 HA ALA 6 -0.440 -3.310 -3.388 50 HB1 ALA 6 3HB ALA 6 -1.358 -0.442 -3.006 51 HB2 ALA 6 1HB ALA 6 -0.323 -0.941 -4.366 52 HB3 ALA 6 2HB ALA 6 -1.948 -1.644 -4.179 53 H TYR 7 H TYR 7 1.750 -2.571 -4.088 54 HA TYR 7 HA TYR 7 3.339 -1.909 -1.714 55 HD1 TYR 7 HD2 TYR 7 3.346 -4.375 -1.110 56 HD2 TYR 7 HD1 TYR 7 3.426 -4.878 -5.358 57 HE1 TYR 7 HE2 TYR 7 2.269 -6.664 -0.866 58 HE2 TYR 7 HE1 TYR 7 2.349 -7.166 -5.100 59 HH TYR 7 HH TYR 7 0.744 -8.189 -3.150 60 HB2 TYR 7 1HB TYR 7 4.259 -2.919 -4.458 61 HB3 TYR 7 2HB TYR 7 5.077 -3.136 -2.924 62 H VAL 8 H VAL 8 5.011 -0.319 -1.821 63 HA VAL 8 HA VAL 8 5.015 1.335 -4.227 64 HB VAL 8 HB VAL 8 3.413 2.433 -2.878 65 HG11 VAL 8 1HG1 VAL 8 4.319 1.168 -0.745 66 HG12 VAL 8 2HG1 VAL 8 5.230 2.678 -0.503 67 HG13 VAL 8 3HG1 VAL 8 3.453 2.715 -0.590 68 HG21 VAL 8 3HG2 VAL 8 6.090 3.802 -2.445 69 HG22 VAL 8 1HG2 VAL 8 5.094 3.897 -3.918 70 HG23 VAL 8 2HG2 VAL 8 4.490 4.580 -2.389 71 H ARG 9 H ARG 9 6.940 2.825 -4.261 72 HA ARG 9 HA ARG 9 9.149 1.373 -3.130 73 HE ARG 9 HE ARG 9 12.082 1.381 -4.910 74 HB2 ARG 9 1HB ARG 9 9.656 1.854 -5.362 75 HB3 ARG 9 2HB ARG 9 8.764 3.363 -5.354 76 HG2 ARG 9 1HG ARG 9 10.537 4.577 -4.404 77 HG3 ARG 9 2HG ARG 9 11.223 3.170 -3.616 78 HD2 ARG 9 1HD ARG 9 11.175 3.380 -6.652 79 HD3 ARG 9 2HD ARG 9 12.449 4.143 -5.722 80 HH11 ARG 9 1HH1 ARG 9 13.547 3.402 -7.424 81 HH12 ARG 9 2HH1 ARG 9 14.747 2.227 -7.844 82 HH21 ARG 9 1HH2 ARG 9 13.623 -0.124 -5.451 83 HH22 ARG 9 2HH2 ARG 9 14.799 0.133 -6.678 84 H ILE 10 H ILE 10 9.708 1.977 -1.050 85 HA ILE 10 HA ILE 10 9.938 4.857 -0.555 86 HB ILE 10 HB ILE 10 8.561 2.770 1.105 87 HG12 ILE 10 1HG1 ILE 10 7.660 4.788 -0.590 88 HG13 ILE 10 2HG1 ILE 10 6.711 3.882 0.571 89 HG21 ILE 10 1HG2 ILE 10 8.539 4.501 2.949 90 HG22 ILE 10 2HG2 ILE 10 10.088 3.666 2.678 91 HG23 ILE 10 3HG2 ILE 10 9.853 5.325 2.076 92 HD11 ILE 10 3HD1 ILE 10 6.617 6.446 0.774 93 HD12 ILE 10 1HD1 ILE 10 6.981 5.556 2.272 94 HD13 ILE 10 2HD1 ILE 10 8.291 6.358 1.374 95 H ARG 11 H ARG 11 11.908 5.464 0.207 96 HA ARG 11 HA ARG 11 13.940 5.347 0.929 97 HE ARG 11 HE ARG 11 14.098 3.766 6.302 98 HB2 ARG 11 1HB ARG 11 12.667 3.103 2.477 99 HB3 ARG 11 2HB ARG 11 14.419 3.145 2.473 100 HG2 ARG 11 1HG ARG 11 14.521 5.194 3.607 101 HG3 ARG 11 2HG ARG 11 12.965 5.731 3.006 102 HD2 ARG 11 1HD ARG 11 11.910 4.928 4.853 103 HD3 ARG 11 2HD ARG 11 12.577 3.328 4.595 104 HH11 ARG 11 1HH1 ARG 11 13.103 6.865 4.901 105 HH12 ARG 11 2HH1 ARG 11 14.027 7.809 6.021 106 HH21 ARG 11 1HH2 ARG 11 15.281 4.981 7.737 107 HH22 ARG 11 2HH2 ARG 11 15.320 6.699 7.706 108 H GLY 12 H GLY 12 13.311 4.195 -1.652 109 HA3 GLY 12 2HA GLY 12 15.719 2.875 -2.249 110 H VAL 13 H VAL 13 12.724 1.719 -0.882 111 HA VAL 13 HA VAL 13 13.409 -1.017 -1.701 112 HB VAL 13 HB VAL 13 12.353 -0.351 1.029 113 HG11 VAL 13 1HG1 VAL 13 13.362 -2.714 -0.397 114 HG12 VAL 13 2HG1 VAL 13 14.084 -2.491 1.215 115 HG13 VAL 13 3HG1 VAL 13 12.316 -2.598 1.039 116 HG21 VAL 13 3HG2 VAL 13 15.016 -0.738 1.499 117 HG22 VAL 13 1HG2 VAL 13 15.063 0.204 -0.011 118 HG23 VAL 13 2HG2 VAL 13 14.222 0.853 1.418 119 H LEU 14 H LEU 14 11.515 -2.544 -1.463 120 HA LEU 14 HA LEU 14 9.094 -1.094 -2.231 121 HG LEU 14 HG LEU 14 7.640 -3.910 -3.741 122 HB2 LEU 14 1HB LEU 14 10.316 -2.913 -3.651 123 HB3 LEU 14 2HB LEU 14 9.520 -4.041 -2.572 124 HD11 LEU 14 1HD1 LEU 14 7.116 -1.918 -2.325 125 HD12 LEU 14 2HD1 LEU 14 7.720 -0.885 -3.643 126 HD13 LEU 14 3HD1 LEU 14 6.304 -1.932 -3.909 127 HD21 LEU 14 3HD2 LEU 14 9.112 -3.731 -5.658 128 HD22 LEU 14 1HD2 LEU 14 7.628 -2.790 -5.937 129 HD23 LEU 14 2HD2 LEU 14 9.142 -1.958 -5.506 130 H VAL 15 H VAL 15 7.638 -0.750 -0.649 131 HA VAL 15 HA VAL 15 7.423 -2.838 1.409 132 HB VAL 15 HB VAL 15 6.644 0.005 1.907 133 HG11 VAL 15 1HG1 VAL 15 6.496 -2.250 3.422 134 HG12 VAL 15 2HG1 VAL 15 8.080 -1.615 3.930 135 HG13 VAL 15 3HG1 VAL 15 6.624 -0.604 4.086 136 HG21 VAL 15 3HG2 VAL 15 8.857 0.271 0.968 137 HG22 VAL 15 1HG2 VAL 15 8.951 0.473 2.734 138 HG23 VAL 15 2HG2 VAL 15 9.492 -1.047 1.983 139 H ARG 16 H ARG 16 5.291 -3.385 2.120 140 HA ARG 16 HA ARG 16 3.344 -2.774 0.082 141 HE ARG 16 HE ARG 16 4.975 -7.232 2.715 142 HB2 ARG 16 1HB ARG 16 2.785 -4.675 2.364 143 HB3 ARG 16 2HB ARG 16 2.262 -4.777 0.695 144 HG2 ARG 16 1HG ARG 16 4.745 -5.152 0.078 145 HG3 ARG 16 2HG ARG 16 5.048 -5.346 1.793 146 HD2 ARG 16 1HD ARG 16 2.753 -6.969 1.085 147 HD3 ARG 16 2HD ARG 16 4.040 -7.305 -0.056 148 HH11 ARG 16 1HH1 ARG 16 3.524 -9.289 0.222 149 HH12 ARG 16 2HH1 ARG 16 4.072 -10.765 0.946 150 HH21 ARG 16 1HH2 ARG 16 5.676 -9.127 3.640 151 HH22 ARG 16 2HH2 ARG 16 5.348 -10.676 2.972 152 H TYR 17 H TYR 17 1.171 -2.010 0.641 153 HA TYR 17 HA TYR 17 0.734 -1.180 3.385 154 HD1 TYR 17 HD2 TYR 17 2.620 0.291 -0.161 155 HD2 TYR 17 HD1 TYR 17 -1.316 1.555 0.939 156 HE1 TYR 17 HE2 TYR 17 2.140 0.923 -2.577 157 HE2 TYR 17 HE1 TYR 17 -1.783 2.183 -1.481 158 HH TYR 17 HH TYR 17 -0.881 2.525 -3.454 159 HB2 TYR 17 1HB TYR 17 0.410 1.181 2.636 160 HB3 TYR 17 2HB TYR 17 2.023 0.664 2.186 161 H ARG 18 H ARG 18 -1.525 -0.099 3.558 162 HA ARG 18 HA ARG 18 -3.243 -1.267 1.522 163 HE ARG 18 HE ARG 18 -5.360 -3.266 4.799 164 HB2 ARG 18 1HB ARG 18 -3.884 -1.164 4.510 165 HB3 ARG 18 2HB ARG 18 -4.847 -1.936 3.266 166 HG2 ARG 18 1HG ARG 18 -3.310 -3.708 2.974 167 HG3 ARG 18 2HG ARG 18 -1.964 -2.786 3.615 168 HD2 ARG 18 1HD ARG 18 -3.034 -4.658 5.117 169 HD3 ARG 18 2HD ARG 18 -2.612 -3.128 5.860 170 HH11 ARG 18 1HH1 ARG 18 -3.276 -3.694 7.633 171 HH12 ARG 18 2HH1 ARG 18 -4.577 -3.543 8.766 172 HH21 ARG 18 1HH2 ARG 18 -7.026 -3.073 6.257 173 HH22 ARG 18 2HH2 ARG 18 -6.803 -3.175 7.958 174 H ARG 19 H ARG 19 -4.857 0.122 0.756 175 HA ARG 19 HA ARG 19 -5.208 2.570 2.291 176 HE ARG 19 HE ARG 19 -5.176 5.463 0.705 177 HB2 ARG 19 1HB ARG 19 -4.851 2.192 -0.710 178 HB3 ARG 19 2HB ARG 19 -5.647 3.620 -0.078 179 HG2 ARG 19 1HG ARG 19 -3.450 3.639 1.521 180 HG3 ARG 19 2HG ARG 19 -2.767 2.789 0.148 181 HD2 ARG 19 1HD ARG 19 -2.383 5.168 -0.194 182 HD3 ARG 19 2HD ARG 19 -3.586 4.654 -1.361 183 HH11 ARG 19 1HH1 ARG 19 -2.406 7.032 -0.849 184 HH12 ARG 19 2HH1 ARG 19 -2.973 8.636 -0.521 185 HH21 ARG 19 1HH2 ARG 19 -5.899 7.521 1.123 186 HH22 ARG 19 2HH2 ARG 19 -5.044 8.933 0.647 187 H CYS 20 H CYS 20 -7.365 3.691 1.783 188 HA CYS 20 HA CYS 20 -9.358 1.670 1.048 189 HB2 CYS 20 1HB CYS 20 -9.563 3.842 3.142 190 HB3 CYS 20 2HB CYS 20 -10.905 2.855 2.600 191 H TRP 21 H TRP 21 -11.337 2.612 0.006 192 HA TRP 21 HA TRP 21 -10.625 4.526 -1.942 193 HD1 TRP 21 1HD TRP 21 -15.128 4.293 -3.098 194 HE1 TRP 21 HE1 TRP 21 -17.117 4.802 -1.440 195 HE3 TRP 21 HE3 TRP 21 -12.440 3.617 1.164 196 HZ2 TRP 21 HZ2 TRP 21 -17.337 4.865 1.405 197 HZ3 TRP 21 HZ3 TRP 21 -13.617 3.922 3.340 198 HH2 TRP 21 2HH TRP 21 -15.980 4.524 3.503 199 HB2 TRP 21 1HB TRP 21 -12.525 3.919 -2.965 200 HB3 TRP 21 2HB TRP 21 -12.415 2.559 -1.866 Start of MODEL 7 1 HA ARG 1 HA ARG 1 -15.531 2.333 1.320 2 HE ARG 1 HE ARG 1 -19.398 2.583 -0.495 3 H1 ARG 1 1H ARG 1 -16.858 2.799 -0.506 4 H2 ARG 1 2H ARG 1 -15.471 2.024 -0.964 5 H3 ARG 1 3H ARG 1 -16.908 1.205 -0.950 6 HB2 ARG 1 1HB ARG 1 -17.251 1.218 2.714 7 HB3 ARG 1 2HB ARG 1 -18.012 2.323 1.586 8 HG2 ARG 1 1HG ARG 1 -17.747 -0.250 0.288 9 HG3 ARG 1 2HG ARG 1 -18.453 -0.507 1.872 10 HD2 ARG 1 1HD ARG 1 -20.283 -0.097 0.332 11 HD3 ARG 1 2HD ARG 1 -20.144 1.320 1.355 12 HH11 ARG 1 1HH1 ARG 1 -19.468 -0.857 -1.341 13 HH12 ARG 1 2HH1 ARG 1 -19.229 -0.573 -3.033 14 HH21 ARG 1 1HH2 ARG 1 -19.091 2.943 -2.666 15 HH22 ARG 1 2HH2 ARG 1 -19.005 1.678 -3.825 16 H TRP 2 H TRP 2 -13.757 1.017 -0.013 17 HA TRP 2 HA TRP 2 -13.580 -1.567 1.281 18 HD1 TRP 2 HD1 TRP 2 -11.562 -3.268 -2.251 19 HE1 TRP 2 HE1 TRP 2 -10.554 -2.074 -4.377 20 HE3 TRP 2 HE3 TRP 2 -14.487 0.880 -1.957 21 HZ2 TRP 2 HZ2 TRP 2 -11.081 0.415 -5.669 22 HZ3 TRP 2 HZ3 TRP 2 -14.178 2.645 -3.690 23 HH2 TRP 2 HH2 TRP 2 -12.545 2.462 -5.500 24 HB2 TRP 2 1HB TRP 2 -13.519 -2.906 -0.548 25 HB3 TRP 2 2HB TRP 2 -14.725 -1.744 -1.063 26 H CYS 3 H CYS 3 -11.296 -2.387 1.139 27 HA CYS 3 HA CYS 3 -9.443 -0.219 0.475 28 HB2 CYS 3 1HB CYS 3 -9.020 -2.066 2.816 29 HB3 CYS 3 2HB CYS 3 -8.160 -0.592 2.419 30 H VAL 4 H VAL 4 -7.338 -0.983 -0.292 31 HA VAL 4 HA VAL 4 -7.181 -3.858 -0.787 32 HB VAL 4 HB VAL 4 -6.641 -3.531 -3.097 33 HG11 VAL 4 1HG1 VAL 4 -9.150 -1.919 -2.550 34 HG12 VAL 4 2HG1 VAL 4 -8.786 -2.929 -3.970 35 HG13 VAL 4 3HG1 VAL 4 -9.056 -3.689 -2.382 36 HG21 VAL 4 3HG2 VAL 4 -5.592 -1.224 -2.681 37 HG22 VAL 4 1HG2 VAL 4 -6.475 -1.461 -4.208 38 HG23 VAL 4 2HG2 VAL 4 -7.240 -0.577 -2.866 39 H TYR 5 H TYR 5 -4.984 -4.616 -1.121 40 HA TYR 5 HA TYR 5 -3.066 -2.806 0.140 41 HD1 TYR 5 HD2 TYR 5 -4.834 -3.709 1.560 42 HD2 TYR 5 HD1 TYR 5 -3.508 -7.634 0.494 43 HE1 TYR 5 HE2 TYR 5 -6.758 -4.724 2.875 44 HE2 TYR 5 HE1 TYR 5 -5.437 -8.636 1.813 45 HH TYR 5 HH TYR 5 -7.994 -7.371 2.502 46 HB2 TYR 5 1HB TYR 5 -2.591 -5.715 -0.609 47 HB3 TYR 5 2HB TYR 5 -2.051 -4.869 0.827 48 H ALA 6 H ALA 6 -1.145 -2.172 -0.837 49 HA ALA 6 HA ALA 6 -0.430 -3.357 -3.378 50 HB1 ALA 6 3HB ALA 6 -0.278 -0.621 -3.932 51 HB2 ALA 6 1HB ALA 6 -1.475 -1.765 -4.584 52 HB3 ALA 6 2HB ALA 6 -1.856 -0.812 -3.130 53 H TYR 7 H TYR 7 1.761 -2.609 -4.078 54 HA TYR 7 HA TYR 7 3.334 -1.922 -1.701 55 HD1 TYR 7 HD2 TYR 7 3.371 -4.408 -1.093 56 HD2 TYR 7 HD1 TYR 7 3.430 -4.880 -5.345 57 HE1 TYR 7 HE2 TYR 7 2.299 -6.702 -0.861 58 HE2 TYR 7 HE1 TYR 7 2.358 -7.172 -5.098 59 HH TYR 7 HH TYR 7 1.690 -8.706 -3.730 60 HB2 TYR 7 1HB TYR 7 4.281 -2.934 -4.434 61 HB3 TYR 7 2HB TYR 7 5.082 -3.148 -2.890 62 H VAL 8 H VAL 8 5.019 -0.337 -1.822 63 HA VAL 8 HA VAL 8 5.012 1.314 -4.229 64 HB VAL 8 HB VAL 8 3.405 2.411 -2.884 65 HG11 VAL 8 1HG1 VAL 8 3.434 2.685 -0.599 66 HG12 VAL 8 2HG1 VAL 8 4.332 1.155 -0.746 67 HG13 VAL 8 3HG1 VAL 8 5.211 2.684 -0.508 68 HG21 VAL 8 3HG2 VAL 8 5.155 3.843 -3.927 69 HG22 VAL 8 1HG2 VAL 8 4.432 4.565 -2.469 70 HG23 VAL 8 2HG2 VAL 8 6.047 3.822 -2.387 71 H ARG 9 H ARG 9 6.929 2.818 -4.259 72 HA ARG 9 HA ARG 9 9.144 1.373 -3.132 73 HE ARG 9 HE ARG 9 10.611 5.458 -6.163 74 HB2 ARG 9 1HB ARG 9 9.645 1.864 -5.364 75 HB3 ARG 9 2HB ARG 9 8.753 3.371 -5.348 76 HG2 ARG 9 1HG ARG 9 10.517 4.533 -4.191 77 HG3 ARG 9 2HG ARG 9 11.315 3.039 -3.740 78 HD2 ARG 9 1HD ARG 9 12.644 3.521 -5.560 79 HD3 ARG 9 2HD ARG 9 11.355 2.735 -6.449 80 HH11 ARG 9 1HH1 ARG 9 13.150 3.578 -7.766 81 HH12 ARG 9 2HH1 ARG 9 13.381 4.737 -9.032 82 HH21 ARG 9 1HH2 ARG 9 10.911 6.942 -7.789 83 HH22 ARG 9 2HH2 ARG 9 12.057 6.734 -9.052 84 H ILE 10 H ILE 10 9.696 1.973 -1.048 85 HA ILE 10 HA ILE 10 9.913 4.853 -0.545 86 HB ILE 10 HB ILE 10 8.576 2.752 1.138 87 HG12 ILE 10 1HG1 ILE 10 7.737 5.051 -0.444 88 HG13 ILE 10 2HG1 ILE 10 6.796 3.714 0.188 89 HG21 ILE 10 1HG2 ILE 10 8.566 4.294 3.018 90 HG22 ILE 10 2HG2 ILE 10 10.235 3.882 2.558 91 HG23 ILE 10 3HG2 ILE 10 9.548 5.458 2.097 92 HD11 ILE 10 3HD1 ILE 10 6.050 5.866 1.166 93 HD12 ILE 10 1HD1 ILE 10 6.720 4.800 2.424 94 HD13 ILE 10 2HD1 ILE 10 7.690 6.153 1.795 95 H ARG 11 H ARG 11 11.881 5.468 0.217 96 HA ARG 11 HA ARG 11 13.914 5.359 0.937 97 HE ARG 11 HE ARG 11 11.713 5.481 5.157 98 HB2 ARG 11 1HB ARG 11 12.670 3.082 2.471 99 HB3 ARG 11 2HB ARG 11 14.420 3.183 2.488 100 HG2 ARG 11 1HG ARG 11 14.277 5.552 3.280 101 HG3 ARG 11 2HG ARG 11 12.528 5.456 3.259 102 HD2 ARG 11 1HD ARG 11 13.386 3.194 4.764 103 HD3 ARG 11 2HD ARG 11 14.393 4.522 5.307 104 HH11 ARG 11 1HH1 ARG 11 13.620 3.179 7.059 105 HH12 ARG 11 2HH1 ARG 11 12.630 3.336 8.471 106 HH21 ARG 11 1HH2 ARG 11 10.445 5.678 6.970 107 HH22 ARG 11 2HH2 ARG 11 10.746 4.816 8.426 108 H GLY 12 H GLY 12 13.289 4.208 -1.645 109 HA3 GLY 12 2HA GLY 12 15.703 2.900 -2.246 110 H VAL 13 H VAL 13 12.712 1.728 -0.881 111 HA VAL 13 HA VAL 13 13.410 -1.003 -1.705 112 HB VAL 13 HB VAL 13 12.358 -0.345 1.029 113 HG11 VAL 13 1HG1 VAL 13 13.510 -2.694 -0.379 114 HG12 VAL 13 2HG1 VAL 13 14.001 -2.474 1.318 115 HG13 VAL 13 3HG1 VAL 13 12.276 -2.610 0.901 116 HG21 VAL 13 3HG2 VAL 13 14.226 0.863 1.413 117 HG22 VAL 13 1HG2 VAL 13 15.022 -0.728 1.492 118 HG23 VAL 13 2HG2 VAL 13 15.065 0.215 -0.017 119 H LEU 14 H LEU 14 11.524 -2.539 -1.464 120 HA LEU 14 HA LEU 14 9.096 -1.101 -2.232 121 HG LEU 14 HG LEU 14 7.651 -3.930 -3.729 122 HB2 LEU 14 1HB LEU 14 10.322 -2.920 -3.646 123 HB3 LEU 14 2HB LEU 14 9.532 -4.047 -2.561 124 HD11 LEU 14 1HD1 LEU 14 7.715 -0.904 -3.640 125 HD12 LEU 14 2HD1 LEU 14 6.305 -1.958 -3.900 126 HD13 LEU 14 3HD1 LEU 14 7.119 -1.936 -2.318 127 HD21 LEU 14 3HD2 LEU 14 9.113 -3.752 -5.651 128 HD22 LEU 14 1HD2 LEU 14 7.630 -2.808 -5.927 129 HD23 LEU 14 2HD2 LEU 14 9.146 -1.978 -5.501 130 H VAL 15 H VAL 15 7.646 -0.751 -0.645 131 HA VAL 15 HA VAL 15 7.438 -2.834 1.420 132 HB VAL 15 HB VAL 15 6.654 0.012 1.902 133 HG11 VAL 15 1HG1 VAL 15 6.054 -1.476 3.646 134 HG12 VAL 15 2HG1 VAL 15 7.629 -2.303 3.592 135 HG13 VAL 15 3HG1 VAL 15 7.518 -0.639 4.214 136 HG21 VAL 15 3HG2 VAL 15 8.939 0.522 2.702 137 HG22 VAL 15 1HG2 VAL 15 9.502 -1.035 2.049 138 HG23 VAL 15 2HG2 VAL 15 8.887 0.222 0.948 139 H ARG 16 H ARG 16 5.311 -3.392 2.129 140 HA ARG 16 HA ARG 16 3.360 -2.800 0.091 141 HE ARG 16 HE ARG 16 5.002 -7.052 -0.800 142 HB2 ARG 16 1HB ARG 16 2.806 -4.680 2.393 143 HB3 ARG 16 2HB ARG 16 2.284 -4.801 0.724 144 HG2 ARG 16 1HG ARG 16 4.761 -5.182 0.107 145 HG3 ARG 16 2HG ARG 16 5.077 -5.340 1.824 146 HD2 ARG 16 1HD ARG 16 4.253 -7.464 1.869 147 HD3 ARG 16 2HD ARG 16 2.775 -6.983 1.060 148 HH11 ARG 16 1HH1 ARG 16 2.684 -9.134 0.888 149 HH12 ARG 16 2HH1 ARG 16 2.763 -10.394 -0.298 150 HH21 ARG 16 1HH2 ARG 16 5.100 -8.671 -2.319 151 HH22 ARG 16 2HH2 ARG 16 4.193 -10.125 -2.202 152 H TYR 17 H TYR 17 1.191 -2.025 0.636 153 HA TYR 17 HA TYR 17 0.744 -1.178 3.372 154 HD1 TYR 17 HD1 TYR 17 -1.307 1.547 0.936 155 HD2 TYR 17 HD2 TYR 17 2.619 0.281 -0.197 156 HE1 TYR 17 HE1 TYR 17 -1.796 2.171 -1.480 157 HE2 TYR 17 HE2 TYR 17 2.117 0.909 -2.609 158 HH TYR 17 HH TYR 17 -0.744 2.680 -3.453 159 HB2 TYR 17 1HB TYR 17 0.439 1.179 2.618 160 HB3 TYR 17 2HB TYR 17 2.044 0.653 2.153 161 H ARG 18 H ARG 18 -1.515 -0.083 3.523 162 HA ARG 18 HA ARG 18 -3.225 -1.248 1.480 163 HE ARG 18 HE ARG 18 -5.523 -3.631 3.952 164 HB2 ARG 18 1HB ARG 18 -3.848 -1.188 4.475 165 HB3 ARG 18 2HB ARG 18 -4.844 -1.912 3.228 166 HG2 ARG 18 1HG ARG 18 -3.110 -3.583 2.730 167 HG3 ARG 18 2HG ARG 18 -1.982 -2.798 3.816 168 HD2 ARG 18 1HD ARG 18 -3.227 -4.873 4.735 169 HD3 ARG 18 2HD ARG 18 -3.199 -3.455 5.763 170 HH11 ARG 18 1HH1 ARG 18 -4.250 -4.310 7.188 171 HH12 ARG 18 2HH1 ARG 18 -5.817 -4.426 7.916 172 HH21 ARG 18 1HH2 ARG 18 -7.532 -3.781 4.890 173 HH22 ARG 18 2HH2 ARG 18 -7.768 -4.113 6.559 174 H ARG 19 H ARG 19 -4.855 0.139 0.736 175 HA ARG 19 HA ARG 19 -5.203 2.576 2.290 176 HE ARG 19 HE ARG 19 -5.177 5.482 0.731 177 HB2 ARG 19 1HB ARG 19 -4.852 2.223 -0.716 178 HB3 ARG 19 2HB ARG 19 -5.648 3.644 -0.070 179 HG2 ARG 19 1HG ARG 19 -3.447 3.652 1.524 180 HG3 ARG 19 2HG ARG 19 -2.767 2.816 0.142 181 HD2 ARG 19 1HD ARG 19 -2.387 5.197 -0.182 182 HD3 ARG 19 2HD ARG 19 -3.594 4.693 -1.348 183 HH11 ARG 19 1HH1 ARG 19 -2.411 7.067 -0.817 184 HH12 ARG 19 2HH1 ARG 19 -2.978 8.668 -0.472 185 HH21 ARG 19 1HH2 ARG 19 -5.899 7.536 1.171 186 HH22 ARG 19 2HH2 ARG 19 -5.045 8.953 0.706 187 H CYS 20 H CYS 20 -7.363 3.697 1.794 188 HA CYS 20 HA CYS 20 -9.355 1.677 1.056 189 HB2 CYS 20 1HB CYS 20 -9.556 3.849 3.151 190 HB3 CYS 20 2HB CYS 20 -10.901 2.865 2.609 191 H TRP 21 H TRP 21 -11.336 2.618 0.017 192 HA TRP 21 HA TRP 21 -10.628 4.532 -1.933 193 HD1 TRP 21 1HD TRP 21 -15.135 4.291 -3.082 194 HE1 TRP 21 HE1 TRP 21 -17.120 4.801 -1.420 195 HE3 TRP 21 HE3 TRP 21 -12.437 3.627 1.176 196 HZ2 TRP 21 HZ2 TRP 21 -17.335 4.868 1.424 197 HZ3 TRP 21 HZ3 TRP 21 -13.610 3.933 3.354 198 HH2 TRP 21 2HH TRP 21 -15.974 4.532 3.521 199 HB2 TRP 21 1HB TRP 21 -12.530 3.923 -2.953 200 HB3 TRP 21 2HB TRP 21 -12.417 2.563 -1.854 Start of MODEL 8 1 HA ARG 1 HA ARG 1 -15.839 1.815 1.417 2 HE ARG 1 HE ARG 1 -18.907 -0.399 5.643 3 H1 ARG 1 1H ARG 1 -17.149 2.368 -0.397 4 H2 ARG 1 2H ARG 1 -15.718 1.695 -0.882 5 H3 ARG 1 3H ARG 1 -17.115 0.814 -0.968 6 HB2 ARG 1 1HB ARG 1 -18.319 1.675 1.628 7 HB3 ARG 1 2HB ARG 1 -18.287 0.007 1.089 8 HG2 ARG 1 1HG ARG 1 -17.560 -0.783 3.125 9 HG3 ARG 1 2HG ARG 1 -16.479 0.572 3.385 10 HD2 ARG 1 1HD ARG 1 -18.378 2.018 4.038 11 HD3 ARG 1 2HD ARG 1 -19.519 0.743 3.660 12 HH11 ARG 1 1HH1 ARG 1 -16.745 2.355 5.096 13 HH12 ARG 1 2HH1 ARG 1 -16.051 2.283 6.681 14 HH21 ARG 1 1HH2 ARG 1 -18.013 -0.487 7.675 15 HH22 ARG 1 2HH2 ARG 1 -16.798 0.600 8.215 16 H TRP 2 H TRP 2 -13.994 0.684 -0.012 17 HA TRP 2 HA TRP 2 -13.704 -1.975 1.098 18 HD1 TRP 2 HD1 TRP 2 -11.589 -3.322 -2.523 19 HE1 TRP 2 HE1 TRP 2 -10.634 -1.938 -4.557 20 HE3 TRP 2 HE3 TRP 2 -14.726 0.643 -1.976 21 HZ2 TRP 2 HZ2 TRP 2 -11.283 0.603 -5.683 22 HZ3 TRP 2 HZ3 TRP 2 -14.499 2.534 -3.585 23 HH2 TRP 2 HH2 TRP 2 -12.851 2.556 -5.390 24 HB2 TRP 2 1HB TRP 2 -13.575 -3.177 -0.820 25 HB3 TRP 2 2HB TRP 2 -14.832 -2.038 -1.260 26 H CYS 3 H CYS 3 -11.385 -2.677 0.921 27 HA CYS 3 HA CYS 3 -9.629 -0.391 0.411 28 HB2 CYS 3 1HB CYS 3 -9.158 -2.357 2.646 29 HB3 CYS 3 2HB CYS 3 -8.333 -0.842 2.338 30 H VAL 4 H VAL 4 -7.467 -1.024 -0.348 31 HA VAL 4 HA VAL 4 -7.196 -3.849 -1.036 32 HB VAL 4 HB VAL 4 -6.584 -3.313 -3.309 33 HG11 VAL 4 1HG1 VAL 4 -9.022 -3.676 -2.584 34 HG12 VAL 4 2HG1 VAL 4 -9.224 -1.923 -2.816 35 HG13 VAL 4 3HG1 VAL 4 -8.741 -2.952 -4.186 36 HG21 VAL 4 3HG2 VAL 4 -6.594 -1.151 -4.257 37 HG22 VAL 4 1HG2 VAL 4 -7.447 -0.448 -2.862 38 HG23 VAL 4 2HG2 VAL 4 -5.751 -0.966 -2.701 39 H TYR 5 H TYR 5 -4.941 -4.462 -1.485 40 HA TYR 5 HA TYR 5 -3.138 -2.770 0.058 41 HD1 TYR 5 HD1 TYR 5 -4.868 -4.020 1.231 42 HD2 TYR 5 HD2 TYR 5 -3.234 -7.607 -0.435 43 HE1 TYR 5 HE1 TYR 5 -6.722 -5.379 2.318 44 HE2 TYR 5 HE2 TYR 5 -5.093 -8.953 0.658 45 HH TYR 5 HH TYR 5 -7.285 -7.477 2.940 46 HB2 TYR 5 1HB TYR 5 -2.473 -5.457 -1.201 47 HB3 TYR 5 2HB TYR 5 -1.989 -4.854 0.371 48 H ALA 6 H ALA 6 -1.160 -1.976 -0.738 49 HA ALA 6 HA ALA 6 -0.468 -2.557 -3.487 50 HB1 ALA 6 3HB ALA 6 -1.886 -0.774 -4.023 51 HB2 ALA 6 1HB ALA 6 -1.521 0.101 -2.517 52 HB3 ALA 6 2HB ALA 6 -0.316 0.040 -3.825 53 H TYR 7 H TYR 7 1.717 -1.657 -4.020 54 HA TYR 7 HA TYR 7 3.266 -1.229 -1.553 55 HD1 TYR 7 HD2 TYR 7 3.841 -4.041 -0.847 56 HD2 TYR 7 HD1 TYR 7 2.557 -4.016 -4.929 57 HE1 TYR 7 HE2 TYR 7 2.613 -6.238 -0.483 58 HE2 TYR 7 HE1 TYR 7 1.334 -6.212 -4.550 59 HH TYR 7 HH TYR 7 0.541 -7.580 -2.977 60 HB2 TYR 7 1HB TYR 7 4.208 -2.466 -4.198 61 HB3 TYR 7 2HB TYR 7 4.971 -2.626 -2.629 62 H VAL 8 H VAL 8 5.060 0.227 -1.674 63 HA VAL 8 HA VAL 8 5.194 1.792 -4.146 64 HB VAL 8 HB VAL 8 3.936 3.280 -2.995 65 HG11 VAL 8 1HG1 VAL 8 3.567 1.834 -1.045 66 HG12 VAL 8 2HG1 VAL 8 5.147 2.314 -0.381 67 HG13 VAL 8 3HG1 VAL 8 3.849 3.521 -0.553 68 HG21 VAL 8 3HG2 VAL 8 6.699 3.808 -1.848 69 HG22 VAL 8 1HG2 VAL 8 6.060 4.395 -3.402 70 HG23 VAL 8 2HG2 VAL 8 5.355 4.975 -1.874 71 H ARG 9 H ARG 9 7.266 2.921 -4.422 72 HA ARG 9 HA ARG 9 9.347 1.335 -3.244 73 HE ARG 9 HE ARG 9 11.374 4.994 -6.663 74 HB2 ARG 9 1HB ARG 9 9.827 1.576 -5.512 75 HB3 ARG 9 2HB ARG 9 9.067 3.151 -5.618 76 HG2 ARG 9 1HG ARG 9 10.968 4.272 -4.708 77 HG3 ARG 9 2HG ARG 9 11.629 2.799 -4.028 78 HD2 ARG 9 1HD ARG 9 12.961 2.791 -5.894 79 HD3 ARG 9 2HD ARG 9 11.557 2.114 -6.694 80 HH11 ARG 9 1HH1 ARG 9 13.087 2.347 -8.280 81 HH12 ARG 9 2HH1 ARG 9 13.369 3.251 -9.731 82 HH21 ARG 9 1HH2 ARG 9 11.738 6.149 -8.526 83 HH22 ARG 9 2HH2 ARG 9 12.571 5.505 -9.883 84 H ILE 10 H ILE 10 10.082 2.026 -1.248 85 HA ILE 10 HA ILE 10 10.764 4.859 -1.023 86 HB ILE 10 HB ILE 10 9.048 3.266 0.868 87 HG12 ILE 10 1HG1 ILE 10 8.433 5.063 -1.166 88 HG13 ILE 10 2HG1 ILE 10 7.368 4.512 0.111 89 HG21 ILE 10 1HG2 ILE 10 10.893 4.323 2.136 90 HG22 ILE 10 2HG2 ILE 10 10.412 5.903 1.473 91 HG23 ILE 10 3HG2 ILE 10 9.295 5.003 2.527 92 HD11 ILE 10 3HD1 ILE 10 7.423 6.974 0.060 93 HD12 ILE 10 1HD1 ILE 10 8.155 6.386 1.573 94 HD13 ILE 10 2HD1 ILE 10 9.193 6.957 0.244 95 H ARG 11 H ARG 11 12.758 5.207 -0.122 96 HA ARG 11 HA ARG 11 14.710 4.792 0.705 97 HE ARG 11 HE ARG 11 16.165 5.498 3.669 98 HB2 ARG 11 1HB ARG 11 13.097 2.724 2.230 99 HB3 ARG 11 2HB ARG 11 14.841 2.735 2.403 100 HG2 ARG 11 1HG ARG 11 14.270 5.425 2.694 101 HG3 ARG 11 2HG ARG 11 12.827 4.704 3.379 102 HD2 ARG 11 1HD ARG 11 14.089 4.582 5.295 103 HD3 ARG 11 2HD ARG 11 14.732 3.126 4.561 104 HH11 ARG 11 1HH1 ARG 11 15.914 3.170 6.329 105 HH12 ARG 11 2HH1 ARG 11 17.542 3.421 6.866 106 HH21 ARG 11 1HH2 ARG 11 18.252 5.816 4.361 107 HH22 ARG 11 2HH2 ARG 11 18.933 4.988 5.703 108 H GLY 12 H GLY 12 13.994 3.634 -1.858 109 HA3 GLY 12 2HA GLY 12 16.181 1.941 -2.313 110 H VAL 13 H VAL 13 13.019 1.300 -0.976 111 HA VAL 13 HA VAL 13 13.289 -1.539 -1.661 112 HB VAL 13 HB VAL 13 12.472 -0.565 1.067 113 HG11 VAL 13 1HG1 VAL 13 11.821 -2.823 0.632 114 HG12 VAL 13 2HG1 VAL 13 13.413 -3.219 -0.057 115 HG13 VAL 13 3HG1 VAL 13 13.255 -2.887 1.684 116 HG21 VAL 13 3HG2 VAL 13 15.031 -1.558 1.388 117 HG22 VAL 13 1HG2 VAL 13 15.163 -0.595 -0.103 118 HG23 VAL 13 2HG2 VAL 13 14.570 0.161 1.396 119 H LEU 14 H LEU 14 11.199 -2.749 -1.359 120 HA LEU 14 HA LEU 14 9.009 -0.978 -2.134 121 HG LEU 14 HG LEU 14 7.097 -3.592 -3.476 122 HB2 LEU 14 1HB LEU 14 9.901 -3.038 -3.473 123 HB3 LEU 14 2HB LEU 14 8.956 -3.967 -2.326 124 HD11 LEU 14 1HD1 LEU 14 6.934 -1.468 -2.167 125 HD12 LEU 14 2HD1 LEU 14 7.668 -0.620 -3.549 126 HD13 LEU 14 3HD1 LEU 14 6.097 -1.435 -3.737 127 HD21 LEU 14 3HD2 LEU 14 7.221 -2.609 -5.731 128 HD22 LEU 14 1HD2 LEU 14 8.854 -2.003 -5.366 129 HD23 LEU 14 2HD2 LEU 14 8.546 -3.755 -5.416 130 H VAL 15 H VAL 15 7.666 -0.333 -0.545 131 HA VAL 15 HA VAL 15 7.387 -2.108 1.767 132 HB VAL 15 HB VAL 15 6.345 0.685 1.703 133 HG11 VAL 15 1HG1 VAL 15 7.396 -1.265 3.724 134 HG12 VAL 15 2HG1 VAL 15 7.518 0.477 4.066 135 HG13 VAL 15 3HG1 VAL 15 5.927 -0.261 3.760 136 HG21 VAL 15 3HG2 VAL 15 8.468 1.086 0.695 137 HG22 VAL 15 1HG2 VAL 15 8.640 1.488 2.421 138 HG23 VAL 15 2HG2 VAL 15 9.284 -0.049 1.796 139 H ARG 16 H ARG 16 5.329 -2.782 2.492 140 HA ARG 16 HA ARG 16 3.334 -2.576 0.405 141 HE ARG 16 HE ARG 16 5.959 -6.870 2.659 142 HB2 ARG 16 1HB ARG 16 3.002 -4.378 2.807 143 HB3 ARG 16 2HB ARG 16 2.487 -4.644 1.154 144 HG2 ARG 16 1HG ARG 16 5.040 -4.721 0.576 145 HG3 ARG 16 2HG ARG 16 5.291 -4.896 2.302 146 HD2 ARG 16 1HD ARG 16 3.218 -6.741 1.646 147 HD3 ARG 16 2HD ARG 16 4.404 -6.897 0.366 148 HH11 ARG 16 1HH1 ARG 16 3.188 -8.814 1.610 149 HH12 ARG 16 2HH1 ARG 16 3.668 -10.211 2.514 150 HH21 ARG 16 1HH2 ARG 16 6.571 -8.665 3.817 151 HH22 ARG 16 2HH2 ARG 16 5.673 -10.130 3.824 152 H TYR 17 H TYR 17 1.190 -1.815 0.850 153 HA TYR 17 HA TYR 17 0.566 -1.024 3.569 154 HD1 TYR 17 HD2 TYR 17 -1.479 1.670 1.113 155 HD2 TYR 17 HD1 TYR 17 2.523 0.560 0.085 156 HE1 TYR 17 HE2 TYR 17 -1.912 2.322 -1.306 157 HE2 TYR 17 HE1 TYR 17 2.076 1.216 -2.330 158 HH TYR 17 HH TYR 17 -0.294 3.132 -3.267 159 HB2 TYR 17 1HB TYR 17 0.223 1.329 2.844 160 HB3 TYR 17 2HB TYR 17 1.860 0.868 2.422 161 H ARG 18 H ARG 18 -1.739 0.033 3.574 162 HA ARG 18 HA ARG 18 -3.292 -1.145 1.424 163 HE ARG 18 HE ARG 18 -5.289 -3.847 4.575 164 HB2 ARG 18 1HB ARG 18 -4.038 -1.291 4.388 165 HB3 ARG 18 2HB ARG 18 -4.970 -1.958 3.063 166 HG2 ARG 18 1HG ARG 18 -3.546 -3.760 2.773 167 HG3 ARG 18 2HG ARG 18 -2.114 -2.840 3.190 168 HD2 ARG 18 1HD ARG 18 -2.485 -4.445 4.975 169 HD3 ARG 18 2HD ARG 18 -2.870 -2.860 5.615 170 HH11 ARG 18 1HH1 ARG 18 -2.977 -4.846 7.067 171 HH12 ARG 18 2HH1 ARG 18 -4.172 -5.649 8.030 172 HH21 ARG 18 1HH2 ARG 18 -6.818 -4.879 5.812 173 HH22 ARG 18 2HH2 ARG 18 -6.452 -5.672 7.291 174 H ARG 19 H ARG 19 -5.036 0.155 0.731 175 HA ARG 19 HA ARG 19 -5.489 2.532 2.348 176 HE ARG 19 HE ARG 19 -5.609 5.471 0.863 177 HB2 ARG 19 1HB ARG 19 -5.146 2.266 -0.667 178 HB3 ARG 19 2HB ARG 19 -6.002 3.634 0.017 179 HG2 ARG 19 1HG ARG 19 -3.791 3.707 1.597 180 HG3 ARG 19 2HG ARG 19 -3.084 2.936 0.191 181 HD2 ARG 19 1HD ARG 19 -2.818 5.339 -0.077 182 HD3 ARG 19 2HD ARG 19 -4.007 4.806 -1.248 183 HH11 ARG 19 1HH1 ARG 19 -2.944 7.221 -0.683 184 HH12 ARG 19 2HH1 ARG 19 -3.586 8.784 -0.303 185 HH21 ARG 19 1HH2 ARG 19 -6.428 7.478 1.350 186 HH22 ARG 19 2HH2 ARG 19 -5.652 8.944 0.902 187 H CYS 20 H CYS 20 -7.703 3.562 1.895 188 HA CYS 20 HA CYS 20 -9.604 1.479 1.095 189 HB2 CYS 20 1HB CYS 20 -9.868 3.521 3.310 190 HB3 CYS 20 2HB CYS 20 -11.188 2.531 2.719 191 H TRP 21 H TRP 21 -11.647 2.381 0.135 192 HA TRP 21 HA TRP 21 -11.055 4.416 -1.729 193 HD1 TRP 21 1HD TRP 21 -15.564 4.043 -2.822 194 HE1 TRP 21 HE1 TRP 21 -17.542 4.382 -1.109 195 HE3 TRP 21 HE3 TRP 21 -12.772 3.275 1.358 196 HZ2 TRP 21 HZ2 TRP 21 -17.713 4.294 1.739 197 HZ3 TRP 21 HZ3 TRP 21 -13.922 3.419 3.565 198 HH2 TRP 21 2HH TRP 21 -16.306 3.909 3.795 199 HB2 TRP 21 1HB TRP 21 -12.945 3.775 -2.750 200 HB3 TRP 21 2HB TRP 21 -12.756 2.370 -1.720 Start of MODEL 9 1 HA ARG 1 HA ARG 1 -15.556 2.302 1.303 2 HE ARG 1 HE ARG 1 -20.433 2.234 2.156 3 H1 ARG 1 1H ARG 1 -16.878 2.775 -0.524 4 H2 ARG 1 2H ARG 1 -15.487 2.005 -0.982 5 H3 ARG 1 3H ARG 1 -16.922 1.183 -0.977 6 HB2 ARG 1 1HB ARG 1 -17.279 1.053 2.658 7 HB3 ARG 1 2HB ARG 1 -17.980 2.318 1.668 8 HG2 ARG 1 1HG ARG 1 -17.903 -0.050 0.048 9 HG3 ARG 1 2HG ARG 1 -18.522 -0.532 1.615 10 HD2 ARG 1 1HD ARG 1 -19.602 1.822 -0.010 11 HD3 ARG 1 2HD ARG 1 -20.326 0.226 0.017 12 HH11 ARG 1 1HH1 ARG 1 -20.800 -1.203 1.377 13 HH12 ARG 1 2HH1 ARG 1 -21.797 -1.536 2.754 14 HH21 ARG 1 1HH2 ARG 1 -21.712 1.802 3.921 15 HH22 ARG 1 2HH2 ARG 1 -22.341 0.241 4.266 16 H TRP 2 H TRP 2 -13.793 0.985 -0.073 17 HA TRP 2 HA TRP 2 -13.613 -1.607 1.217 18 HD1 TRP 2 HD1 TRP 2 -11.557 -3.260 -2.314 19 HE1 TRP 2 HE1 TRP 2 -10.534 -2.040 -4.418 20 HE3 TRP 2 HE3 TRP 2 -14.501 0.875 -2.004 21 HZ2 TRP 2 HZ2 TRP 2 -11.059 0.461 -5.689 22 HZ3 TRP 2 HZ3 TRP 2 -14.182 2.658 -3.715 23 HH2 TRP 2 HH2 TRP 2 -12.532 2.501 -5.512 24 HB2 TRP 2 1HB TRP 2 -13.534 -2.923 -0.628 25 HB3 TRP 2 2HB TRP 2 -14.737 -1.757 -1.139 26 H CYS 3 H CYS 3 -11.327 -2.422 1.087 27 HA CYS 3 HA CYS 3 -9.470 -0.246 0.461 28 HB2 CYS 3 1HB CYS 3 -9.075 -2.112 2.792 29 HB3 CYS 3 2HB CYS 3 -8.202 -0.641 2.413 30 H VAL 4 H VAL 4 -7.346 -1.008 -0.272 31 HA VAL 4 HA VAL 4 -7.173 -3.876 -0.782 32 HB VAL 4 HB VAL 4 -6.638 -3.549 -3.094 33 HG11 VAL 4 1HG1 VAL 4 -9.075 -3.657 -2.287 34 HG12 VAL 4 2HG1 VAL 4 -9.145 -1.917 -2.656 35 HG13 VAL 4 3HG1 VAL 4 -8.784 -3.087 -3.948 36 HG21 VAL 4 3HG2 VAL 4 -6.489 -1.481 -4.209 37 HG22 VAL 4 1HG2 VAL 4 -7.268 -0.601 -2.872 38 HG23 VAL 4 2HG2 VAL 4 -5.613 -1.229 -2.681 39 H TYR 5 H TYR 5 -4.967 -4.611 -1.122 40 HA TYR 5 HA TYR 5 -3.069 -2.788 0.148 41 HD1 TYR 5 HD1 TYR 5 -4.833 -3.732 1.544 42 HD2 TYR 5 HD2 TYR 5 -3.436 -7.627 0.457 43 HE1 TYR 5 HE1 TYR 5 -6.742 -4.789 2.849 44 HE2 TYR 5 HE2 TYR 5 -5.349 -8.670 1.766 45 HH TYR 5 HH TYR 5 -8.010 -7.113 2.617 46 HB2 TYR 5 1HB TYR 5 -2.557 -5.681 -0.638 47 HB3 TYR 5 2HB TYR 5 -2.026 -4.846 0.808 48 H ALA 6 H ALA 6 -1.138 -2.144 -0.814 49 HA ALA 6 HA ALA 6 -0.433 -3.274 -3.383 50 HB1 ALA 6 3HB ALA 6 -0.265 -0.753 -4.188 51 HB2 ALA 6 1HB ALA 6 -1.795 -1.651 -4.330 52 HB3 ALA 6 2HB ALA 6 -1.554 -0.510 -2.985 53 H TYR 7 H TYR 7 1.758 -2.527 -4.071 54 HA TYR 7 HA TYR 7 3.337 -1.878 -1.686 55 HD1 TYR 7 HD2 TYR 7 3.363 -4.347 -1.093 56 HD2 TYR 7 HD1 TYR 7 3.432 -4.825 -5.344 57 HE1 TYR 7 HE2 TYR 7 2.293 -6.641 -0.859 58 HE2 TYR 7 HE1 TYR 7 2.362 -7.118 -5.096 59 HH TYR 7 HH TYR 7 1.797 -8.507 -1.896 60 HB2 TYR 7 1HB TYR 7 4.266 -2.871 -4.435 61 HB3 TYR 7 2HB TYR 7 5.083 -3.091 -2.900 62 H VAL 8 H VAL 8 5.007 -0.285 -1.776 63 HA VAL 8 HA VAL 8 5.000 1.394 -4.167 64 HB VAL 8 HB VAL 8 3.415 2.469 -2.769 65 HG11 VAL 8 1HG1 VAL 8 4.984 3.047 -0.403 66 HG12 VAL 8 2HG1 VAL 8 3.372 2.304 -0.543 67 HG13 VAL 8 3HG1 VAL 8 4.832 1.290 -0.644 68 HG21 VAL 8 3HG2 VAL 8 5.100 3.927 -3.846 69 HG22 VAL 8 1HG2 VAL 8 4.475 4.619 -2.330 70 HG23 VAL 8 2HG2 VAL 8 6.085 3.860 -2.365 71 H ARG 9 H ARG 9 6.936 2.843 -4.241 72 HA ARG 9 HA ARG 9 9.148 1.383 -3.127 73 HE ARG 9 HE ARG 9 10.419 5.045 -6.623 74 HB2 ARG 9 1HB ARG 9 9.674 1.842 -5.348 75 HB3 ARG 9 2HB ARG 9 8.733 3.320 -5.380 76 HG2 ARG 9 1HG ARG 9 10.458 4.601 -4.368 77 HG3 ARG 9 2HG ARG 9 11.249 3.190 -3.694 78 HD2 ARG 9 1HD ARG 9 12.641 3.789 -5.527 79 HD3 ARG 9 2HD ARG 9 11.688 2.458 -6.153 80 HH11 ARG 9 1HH1 ARG 9 12.828 2.770 -7.877 81 HH12 ARG 9 2HH1 ARG 9 12.718 3.356 -9.503 82 HH21 ARG 9 1HH2 ARG 9 10.281 5.794 -8.711 83 HH22 ARG 9 2HH2 ARG 9 11.209 5.149 -10.004 84 H ILE 10 H ILE 10 9.761 1.998 -1.067 85 HA ILE 10 HA ILE 10 10.027 4.877 -0.596 86 HB ILE 10 HB ILE 10 8.777 2.842 1.250 87 HG12 ILE 10 1HG1 ILE 10 7.624 4.404 -0.738 88 HG13 ILE 10 2HG1 ILE 10 6.796 3.610 0.587 89 HG21 ILE 10 1HG2 ILE 10 9.476 5.736 1.819 90 HG22 ILE 10 2HG2 ILE 10 8.600 4.624 2.899 91 HG23 ILE 10 3HG2 ILE 10 10.304 4.311 2.490 92 HD11 ILE 10 3HD1 ILE 10 7.948 6.438 0.663 93 HD12 ILE 10 1HD1 ILE 10 6.225 6.015 0.516 94 HD13 ILE 10 2HD1 ILE 10 7.111 5.632 2.011 95 H ARG 11 H ARG 11 12.011 5.455 0.152 96 HA ARG 11 HA ARG 11 14.043 5.307 0.868 97 HE ARG 11 HE ARG 11 13.309 4.028 6.320 98 HB2 ARG 11 1HB ARG 11 12.754 3.074 2.428 99 HB3 ARG 11 2HB ARG 11 14.506 3.133 2.435 100 HG2 ARG 11 1HG ARG 11 13.924 5.783 2.898 101 HG3 ARG 11 2HG ARG 11 12.537 5.022 3.653 102 HD2 ARG 11 1HD ARG 11 14.691 3.439 4.526 103 HD3 ARG 11 2HD ARG 11 15.357 5.060 4.531 104 HH11 ARG 11 1HH1 ARG 11 14.482 6.992 4.773 105 HH12 ARG 11 2HH1 ARG 11 13.819 8.035 5.987 106 HH21 ARG 11 1HH2 ARG 11 12.461 5.370 7.874 107 HH22 ARG 11 2HH2 ARG 11 12.619 7.080 7.828 108 H GLY 12 H GLY 12 13.387 4.154 -1.702 109 HA3 GLY 12 2HA GLY 12 15.766 2.784 -2.300 110 H VAL 13 H VAL 13 12.773 1.691 -0.892 111 HA VAL 13 HA VAL 13 13.402 -1.063 -1.699 112 HB VAL 13 HB VAL 13 12.352 -0.365 1.023 113 HG11 VAL 13 1HG1 VAL 13 13.522 -2.732 -0.353 114 HG12 VAL 13 2HG1 VAL 13 13.958 -2.502 1.358 115 HG13 VAL 13 3HG1 VAL 13 12.246 -2.634 0.885 116 HG21 VAL 13 3HG2 VAL 13 15.011 -0.764 1.503 117 HG22 VAL 13 1HG2 VAL 13 15.068 0.169 -0.012 118 HG23 VAL 13 2HG2 VAL 13 14.226 0.831 1.410 119 H LEU 14 H LEU 14 11.483 -2.556 -1.444 120 HA LEU 14 HA LEU 14 9.083 -1.069 -2.213 121 HG LEU 14 HG LEU 14 7.585 -3.857 -3.731 122 HB2 LEU 14 1HB LEU 14 10.276 -2.898 -3.644 123 HB3 LEU 14 2HB LEU 14 9.467 -4.020 -2.569 124 HD11 LEU 14 1HD1 LEU 14 6.278 -1.858 -3.889 125 HD12 LEU 14 2HD1 LEU 14 7.094 -1.863 -2.307 126 HD13 LEU 14 3HD1 LEU 14 7.709 -0.834 -3.622 127 HD21 LEU 14 3HD2 LEU 14 9.067 -3.687 -5.649 128 HD22 LEU 14 1HD2 LEU 14 7.584 -2.740 -5.924 129 HD23 LEU 14 2HD2 LEU 14 9.101 -1.913 -5.495 130 H VAL 15 H VAL 15 7.639 -0.711 -0.622 131 HA VAL 15 HA VAL 15 7.415 -2.797 1.438 132 HB VAL 15 HB VAL 15 6.610 0.035 1.931 133 HG11 VAL 15 1HG1 VAL 15 6.155 -1.019 3.868 134 HG12 VAL 15 2HG1 VAL 15 7.205 -2.402 3.477 135 HG13 VAL 15 3HG1 VAL 15 7.909 -0.915 4.156 136 HG21 VAL 15 3HG2 VAL 15 9.478 -0.961 1.964 137 HG22 VAL 15 1HG2 VAL 15 8.802 0.343 0.959 138 HG23 VAL 15 2HG2 VAL 15 8.920 0.549 2.723 139 H ARG 16 H ARG 16 5.286 -3.351 2.147 140 HA ARG 16 HA ARG 16 3.336 -2.752 0.106 141 HE ARG 16 HE ARG 16 5.436 -8.138 1.636 142 HB2 ARG 16 1HB ARG 16 2.788 -4.657 2.388 143 HB3 ARG 16 2HB ARG 16 2.265 -4.762 0.719 144 HG2 ARG 16 1HG ARG 16 4.754 -5.120 0.106 145 HG3 ARG 16 2HG ARG 16 5.052 -5.320 1.821 146 HD2 ARG 16 1HD ARG 16 2.772 -6.955 1.144 147 HD3 ARG 16 2HD ARG 16 4.015 -7.261 -0.053 148 HH11 ARG 16 1HH1 ARG 16 2.497 -6.769 3.065 149 HH12 ARG 16 2HH1 ARG 16 2.767 -7.489 4.617 150 HH21 ARG 16 1HH2 ARG 16 5.778 -9.060 3.628 151 HH22 ARG 16 2HH2 ARG 16 4.711 -8.849 4.958 152 H TYR 17 H TYR 17 1.164 -1.992 0.661 153 HA TYR 17 HA TYR 17 0.718 -1.171 3.406 154 HD1 TYR 17 HD2 TYR 17 -1.334 1.568 0.967 155 HD2 TYR 17 HD1 TYR 17 2.607 0.317 -0.134 156 HE1 TYR 17 HE2 TYR 17 -1.799 2.203 -1.451 157 HE2 TYR 17 HE1 TYR 17 2.128 0.956 -2.548 158 HH TYR 17 HH TYR 17 -0.537 2.844 -3.416 159 HB2 TYR 17 1HB TYR 17 0.393 1.193 2.665 160 HB3 TYR 17 2HB TYR 17 2.007 0.680 2.214 161 H ARG 18 H ARG 18 -1.545 -0.111 3.586 162 HA ARG 18 HA ARG 18 -3.254 -1.270 1.537 163 HE ARG 18 HE ARG 18 -4.859 -3.953 5.268 164 HB2 ARG 18 1HB ARG 18 -3.895 -1.182 4.526 165 HB3 ARG 18 2HB ARG 18 -4.864 -1.943 3.280 166 HG2 ARG 18 1HG ARG 18 -3.580 -3.830 3.277 167 HG3 ARG 18 2HG ARG 18 -2.085 -2.916 3.238 168 HD2 ARG 18 1HD ARG 18 -1.940 -3.951 5.344 169 HD3 ARG 18 2HD ARG 18 -2.616 -2.393 5.774 170 HH11 ARG 18 1HH1 ARG 18 -2.052 -4.292 7.405 171 HH12 ARG 18 2HH1 ARG 18 -2.913 -5.212 8.594 172 HH21 ARG 18 1HH2 ARG 18 -5.958 -5.134 6.796 173 HH22 ARG 18 2HH2 ARG 18 -5.229 -5.714 8.239 174 H ARG 19 H ARG 19 -4.873 0.116 0.774 175 HA ARG 19 HA ARG 19 -5.235 2.557 2.316 176 HE ARG 19 HE ARG 19 -5.209 5.456 0.735 177 HB2 ARG 19 1HB ARG 19 -4.867 2.192 -0.686 178 HB3 ARG 19 2HB ARG 19 -5.668 3.615 -0.051 179 HG2 ARG 19 1HG ARG 19 -3.477 3.634 1.556 180 HG3 ARG 19 2HG ARG 19 -2.787 2.791 0.182 181 HD2 ARG 19 1HD ARG 19 -2.409 5.172 -0.149 182 HD3 ARG 19 2HD ARG 19 -3.605 4.659 -1.322 183 HH11 ARG 19 1HH1 ARG 19 -2.425 7.039 -0.781 184 HH12 ARG 19 2HH1 ARG 19 -2.996 8.640 -0.445 185 HH21 ARG 19 1HH2 ARG 19 -5.936 7.511 1.164 186 HH22 ARG 19 2HH2 ARG 19 -5.077 8.927 0.708 187 H CYS 20 H CYS 20 -7.394 3.673 1.803 188 HA CYS 20 HA CYS 20 -9.377 1.650 1.051 189 HB2 CYS 20 1HB CYS 20 -9.591 3.806 3.162 190 HB3 CYS 20 2HB CYS 20 -10.934 2.828 2.604 191 H TRP 21 H TRP 21 -11.359 2.595 0.013 192 HA TRP 21 HA TRP 21 -10.646 4.519 -1.925 193 HD1 TRP 21 1HD TRP 21 -15.148 4.291 -3.087 194 HE1 TRP 21 HE1 TRP 21 -17.139 4.791 -1.429 195 HE3 TRP 21 HE3 TRP 21 -12.466 3.590 1.175 196 HZ2 TRP 21 HZ2 TRP 21 -17.363 4.836 1.416 197 HZ3 TRP 21 HZ3 TRP 21 -13.647 3.881 3.351 198 HH2 TRP 21 2HH TRP 21 -16.010 4.482 3.514 199 HB2 TRP 21 1HB TRP 21 -12.545 3.915 -2.953 200 HB3 TRP 21 2HB TRP 21 -12.436 2.550 -1.860 Start of MODEL 10 1 HA ARG 1 HA ARG 1 -16.020 1.795 0.100 2 HE ARG 1 HE ARG 1 -20.100 0.672 3.808 3 H1 ARG 1 1H ARG 1 -18.302 1.719 -0.214 4 H2 ARG 1 2H ARG 1 -17.523 0.727 -1.285 5 H3 ARG 1 3H ARG 1 -18.336 0.078 0.001 6 HB2 ARG 1 1HB ARG 1 -16.053 1.605 2.487 7 HB3 ARG 1 2HB ARG 1 -17.724 1.902 2.050 8 HG2 ARG 1 1HG ARG 1 -17.982 -0.697 1.997 9 HG3 ARG 1 2HG ARG 1 -16.441 -0.745 2.831 10 HD2 ARG 1 1HD ARG 1 -17.616 -0.489 4.765 11 HD3 ARG 1 2HD ARG 1 -17.868 1.178 4.286 12 HH11 ARG 1 1HH1 ARG 1 -18.254 -2.351 3.897 13 HH12 ARG 1 2HH1 ARG 1 -19.656 -3.356 3.743 14 HH21 ARG 1 1HH2 ARG 1 -21.895 -0.621 3.609 15 HH22 ARG 1 2HH2 ARG 1 -21.818 -2.337 3.572 16 H TRP 2 H TRP 2 -14.103 0.707 -0.260 17 HA TRP 2 HA TRP 2 -13.899 -2.072 0.528 18 HD1 TRP 2 HD1 TRP 2 -11.470 -2.951 -3.033 19 HE1 TRP 2 HE1 TRP 2 -10.371 -1.329 -4.801 20 HE3 TRP 2 HE3 TRP 2 -14.707 0.899 -2.293 21 HZ2 TRP 2 HZ2 TRP 2 -10.966 1.322 -5.672 22 HZ3 TRP 2 HZ3 TRP 2 -14.378 2.969 -3.642 23 HH2 TRP 2 HH2 TRP 2 -12.585 3.217 -5.285 24 HB2 TRP 2 1HB TRP 2 -13.604 -3.025 -1.510 25 HB3 TRP 2 2HB TRP 2 -14.830 -1.835 -1.902 26 H CYS 3 H CYS 3 -11.573 -2.763 0.463 27 HA CYS 3 HA CYS 3 -9.784 -0.447 0.378 28 HB2 CYS 3 1HB CYS 3 -9.670 -2.661 2.436 29 HB3 CYS 3 2HB CYS 3 -8.587 -1.289 2.314 30 H VAL 4 H VAL 4 -7.559 -1.011 -0.253 31 HA VAL 4 HA VAL 4 -7.144 -3.743 -1.142 32 HB VAL 4 HB VAL 4 -6.603 -3.134 -3.386 33 HG11 VAL 4 1HG1 VAL 4 -9.028 -3.531 -2.716 34 HG12 VAL 4 2HG1 VAL 4 -9.243 -1.766 -2.808 35 HG13 VAL 4 3HG1 VAL 4 -8.764 -2.682 -4.258 36 HG21 VAL 4 3HG2 VAL 4 -7.445 -0.276 -2.862 37 HG22 VAL 4 1HG2 VAL 4 -5.753 -0.810 -2.724 38 HG23 VAL 4 2HG2 VAL 4 -6.605 -0.948 -4.280 39 H TYR 5 H TYR 5 -4.878 -4.244 -1.441 40 HA TYR 5 HA TYR 5 -3.191 -2.379 0.047 41 HD1 TYR 5 HD2 TYR 5 -4.262 -3.828 2.042 42 HD2 TYR 5 HD1 TYR 5 -3.773 -6.995 -0.793 43 HE1 TYR 5 HE2 TYR 5 -6.108 -5.149 3.188 44 HE2 TYR 5 HE1 TYR 5 -5.620 -8.305 0.363 45 HH TYR 5 HH TYR 5 -6.589 -7.837 3.306 46 HB2 TYR 5 1HB TYR 5 -2.401 -5.141 -0.954 47 HB3 TYR 5 2HB TYR 5 -1.986 -4.388 0.573 48 H ALA 6 H ALA 6 -1.122 -1.712 -0.728 49 HA ALA 6 HA ALA 6 -0.416 -2.435 -3.440 50 HB1 ALA 6 3HB ALA 6 -1.795 -0.640 -4.056 51 HB2 ALA 6 1HB ALA 6 -1.389 0.301 -2.601 52 HB3 ALA 6 2HB ALA 6 -0.196 0.127 -3.910 53 H TYR 7 H TYR 7 1.800 -1.640 -3.983 54 HA TYR 7 HA TYR 7 3.333 -1.154 -1.517 55 HD1 TYR 7 HD1 TYR 7 3.855 -3.871 -0.680 56 HD2 TYR 7 HD2 TYR 7 2.628 -4.109 -4.772 57 HE1 TYR 7 HE1 TYR 7 2.615 -6.036 -0.191 58 HE2 TYR 7 HE2 TYR 7 1.393 -6.272 -4.269 59 HH TYR 7 HH TYR 7 1.243 -7.534 -0.958 60 HB2 TYR 7 1HB TYR 7 4.236 -2.498 -4.127 61 HB3 TYR 7 2HB TYR 7 5.033 -2.596 -2.569 62 H VAL 8 H VAL 8 5.093 0.312 -1.622 63 HA VAL 8 HA VAL 8 5.280 1.809 -4.139 64 HB VAL 8 HB VAL 8 4.085 3.344 -2.983 65 HG11 VAL 8 1HG1 VAL 8 3.747 1.888 -1.007 66 HG12 VAL 8 2HG1 VAL 8 5.317 2.425 -0.364 67 HG13 VAL 8 3HG1 VAL 8 3.990 3.595 -0.564 68 HG21 VAL 8 3HG2 VAL 8 6.836 3.843 -1.797 69 HG22 VAL 8 1HG2 VAL 8 6.310 4.322 -3.428 70 HG23 VAL 8 2HG2 VAL 8 5.534 5.040 -1.996 71 H ARG 9 H ARG 9 7.379 2.833 -4.492 72 HA ARG 9 HA ARG 9 9.430 1.231 -3.278 73 HE ARG 9 HE ARG 9 11.028 1.229 -7.590 74 HB2 ARG 9 1HB ARG 9 9.835 1.343 -5.581 75 HB3 ARG 9 2HB ARG 9 9.184 2.964 -5.728 76 HG2 ARG 9 1HG ARG 9 11.185 3.954 -4.773 77 HG3 ARG 9 2HG ARG 9 11.795 2.393 -4.261 78 HD2 ARG 9 1HD ARG 9 11.566 3.469 -7.099 79 HD3 ARG 9 2HD ARG 9 13.011 2.937 -6.262 80 HH11 ARG 9 1HH1 ARG 9 13.641 1.324 -5.199 81 HH12 ARG 9 2HH1 ARG 9 13.976 -0.372 -5.315 82 HH21 ARG 9 1HH2 ARG 9 11.462 -0.945 -7.736 83 HH22 ARG 9 2HH2 ARG 9 12.688 -1.723 -6.817 84 H ILE 10 H ILE 10 10.249 1.997 -1.345 85 HA ILE 10 HA ILE 10 11.046 4.803 -1.283 86 HB ILE 10 HB ILE 10 9.153 3.440 0.593 87 HG12 ILE 10 1HG1 ILE 10 8.901 5.397 -1.382 88 HG13 ILE 10 2HG1 ILE 10 7.705 4.936 -0.187 89 HG21 ILE 10 1HG2 ILE 10 9.597 5.061 2.326 90 HG22 ILE 10 2HG2 ILE 10 11.090 4.167 1.955 91 HG23 ILE 10 3HG2 ILE 10 10.868 5.823 1.342 92 HD11 ILE 10 3HD1 ILE 10 8.692 6.600 1.417 93 HD12 ILE 10 1HD1 ILE 10 9.831 7.103 0.145 94 HD13 ILE 10 2HD1 ILE 10 8.083 7.358 -0.073 95 H ARG 11 H ARG 11 13.045 5.114 -0.366 96 HA ARG 11 HA ARG 11 14.970 4.652 0.498 97 HE ARG 11 HE ARG 11 15.034 5.897 5.534 98 HB2 ARG 11 1HB ARG 11 13.243 2.748 2.100 99 HB3 ARG 11 2HB ARG 11 14.983 2.643 2.275 100 HG2 ARG 11 1HG ARG 11 14.346 5.428 2.385 101 HG3 ARG 11 2HG ARG 11 13.154 4.619 3.383 102 HD2 ARG 11 1HD ARG 11 15.387 3.298 4.230 103 HD3 ARG 11 2HD ARG 11 16.127 4.814 3.756 104 HH11 ARG 11 1HH1 ARG 11 13.606 2.688 5.063 105 HH12 ARG 11 2HH1 ARG 11 12.669 2.756 6.518 106 HH21 ARG 11 1HH2 ARG 11 13.830 5.979 7.399 107 HH22 ARG 11 2HH2 ARG 11 12.797 4.704 7.908 108 H GLY 12 H GLY 12 14.218 3.415 -2.018 109 HA3 GLY 12 2HA GLY 12 16.334 1.615 -2.385 110 H VAL 13 H VAL 13 13.154 1.164 -1.026 111 HA VAL 13 HA VAL 13 13.302 -1.711 -1.593 112 HB VAL 13 HB VAL 13 12.517 -0.593 1.088 113 HG11 VAL 13 1HG1 VAL 13 11.800 -2.790 0.998 114 HG12 VAL 13 2HG1 VAL 13 13.144 -3.302 -0.050 115 HG13 VAL 13 3HG1 VAL 13 13.434 -2.986 1.677 116 HG21 VAL 13 3HG2 VAL 13 15.208 -0.762 -0.067 117 HG22 VAL 13 1HG2 VAL 13 14.638 0.072 1.399 118 HG23 VAL 13 2HG2 VAL 13 15.040 -1.661 1.460 119 H LEU 14 H LEU 14 11.160 -2.817 -1.230 120 HA LEU 14 HA LEU 14 9.048 -0.992 -2.094 121 HG LEU 14 HG LEU 14 7.027 -3.574 -3.328 122 HB2 LEU 14 1HB LEU 14 9.855 -3.149 -3.334 123 HB3 LEU 14 2HB LEU 14 8.863 -3.981 -2.152 124 HD11 LEU 14 1HD1 LEU 14 6.960 -1.385 -2.119 125 HD12 LEU 14 2HD1 LEU 14 7.734 -0.638 -3.537 126 HD13 LEU 14 3HD1 LEU 14 6.127 -1.388 -3.692 127 HD21 LEU 14 3HD2 LEU 14 8.486 -3.889 -5.248 128 HD22 LEU 14 1HD2 LEU 14 7.203 -2.715 -5.625 129 HD23 LEU 14 2HD2 LEU 14 8.855 -2.148 -5.281 130 H VAL 15 H VAL 15 7.730 -0.221 -0.541 131 HA VAL 15 HA VAL 15 7.405 -1.848 1.867 132 HB VAL 15 HB VAL 15 6.370 0.936 1.619 133 HG11 VAL 15 1HG1 VAL 15 5.968 0.073 3.731 134 HG12 VAL 15 2HG1 VAL 15 7.491 -0.847 3.765 135 HG13 VAL 15 3HG1 VAL 15 7.513 0.920 3.980 136 HG21 VAL 15 3HG2 VAL 15 8.434 1.398 0.622 137 HG22 VAL 15 1HG2 VAL 15 8.740 1.693 2.351 138 HG23 VAL 15 2HG2 VAL 15 9.291 0.179 1.595 139 H ARG 16 H ARG 16 5.351 -2.487 2.614 140 HA ARG 16 HA ARG 16 3.348 -2.365 0.524 141 HE ARG 16 HE ARG 16 5.580 -6.405 -0.098 142 HB2 ARG 16 1HB ARG 16 3.034 -4.095 2.982 143 HB3 ARG 16 2HB ARG 16 2.510 -4.412 1.340 144 HG2 ARG 16 1HG ARG 16 5.070 -4.490 0.760 145 HG3 ARG 16 2HG ARG 16 5.315 -4.635 2.489 146 HD2 ARG 16 1HD ARG 16 4.736 -6.834 2.452 147 HD3 ARG 16 2HD ARG 16 3.212 -6.473 1.667 148 HH11 ARG 16 1HH1 ARG 16 2.867 -8.323 1.132 149 HH12 ARG 16 2HH1 ARG 16 2.909 -9.453 -0.180 150 HH21 ARG 16 1HH2 ARG 16 5.632 -7.857 -1.779 151 HH22 ARG 16 2HH2 ARG 16 4.547 -9.182 -1.909 152 H TYR 17 H TYR 17 1.212 -1.583 0.956 153 HA TYR 17 HA TYR 17 0.597 -0.720 3.654 154 HD1 TYR 17 HD2 TYR 17 2.638 0.748 0.203 155 HD2 TYR 17 HD1 TYR 17 -1.402 1.894 1.024 156 HE1 TYR 17 HE2 TYR 17 2.291 1.312 -2.251 157 HE2 TYR 17 HE1 TYR 17 -1.735 2.454 -1.433 158 HH TYR 17 HH TYR 17 -0.882 2.390 -3.422 159 HB2 TYR 17 1HB TYR 17 0.222 1.614 2.835 160 HB3 TYR 17 2HB TYR 17 1.879 1.153 2.500 161 H ARG 18 H ARG 18 -1.691 -0.108 3.900 162 HA ARG 18 HA ARG 18 -3.255 -1.269 1.736 163 HE ARG 18 HE ARG 18 -5.457 -2.781 5.993 164 HB2 ARG 18 1HB ARG 18 -4.203 -1.026 4.620 165 HB3 ARG 18 2HB ARG 18 -4.827 -2.082 3.368 166 HG2 ARG 18 1HG ARG 18 -2.726 -3.396 3.379 167 HG3 ARG 18 2HG ARG 18 -2.018 -2.301 4.549 168 HD2 ARG 18 1HD ARG 18 -4.121 -4.410 4.950 169 HD3 ARG 18 2HD ARG 18 -2.780 -3.969 5.988 170 HH11 ARG 18 1HH1 ARG 18 -2.067 -2.261 6.883 171 HH12 ARG 18 2HH1 ARG 18 -2.438 -1.080 8.095 172 HH21 ARG 18 1HH2 ARG 18 -5.927 -1.266 7.549 173 HH22 ARG 18 2HH2 ARG 18 -4.725 -0.485 8.494 174 H ARG 19 H ARG 19 -5.092 -0.103 0.979 175 HA ARG 19 HA ARG 19 -5.456 2.487 2.257 176 HE ARG 19 HE ARG 19 -5.710 5.172 0.326 177 HB2 ARG 19 1HB ARG 19 -5.316 1.768 -0.699 178 HB3 ARG 19 2HB ARG 19 -6.135 3.226 -0.174 179 HG2 ARG 19 1HG ARG 19 -3.827 3.536 1.223 180 HG3 ARG 19 2HG ARG 19 -3.206 2.554 -0.089 181 HD2 ARG 19 1HD ARG 19 -2.974 4.882 -0.748 182 HD3 ARG 19 2HD ARG 19 -4.239 4.182 -1.737 183 HH11 ARG 19 1HH1 ARG 19 -3.102 6.658 -1.556 184 HH12 ARG 19 2HH1 ARG 19 -3.708 8.269 -1.356 185 HH21 ARG 19 1HH2 ARG 19 -6.484 7.239 0.580 186 HH22 ARG 19 2HH2 ARG 19 -5.713 8.620 -0.091 187 H CYS 20 H CYS 20 -7.701 3.451 1.798 188 HA CYS 20 HA CYS 20 -9.654 1.345 1.259 189 HB2 CYS 20 1HB CYS 20 -9.572 3.198 3.634 190 HB3 CYS 20 2HB CYS 20 -11.073 2.489 3.072 191 H TRP 21 H TRP 21 -11.785 2.281 0.544 192 HA TRP 21 HA TRP 21 -11.371 4.397 -1.278 193 HD1 TRP 21 1HD TRP 21 -15.974 4.016 -1.947 194 HE1 TRP 21 HE1 TRP 21 -17.774 4.272 -0.035 195 HE3 TRP 21 HE3 TRP 21 -12.770 3.149 1.905 196 HZ2 TRP 21 HZ2 TRP 21 -17.658 4.087 2.811 197 HZ3 TRP 21 HZ3 TRP 21 -13.695 3.205 4.219 198 HH2 TRP 21 2HH TRP 21 -16.048 3.654 4.703 199 HB2 TRP 21 1HB TRP 21 -13.353 3.797 -2.141 200 HB3 TRP 21 2HB TRP 21 -13.061 2.346 -1.203 Start of MODEL 11 1 HA ARG 1 HA ARG 1 -15.536 2.332 1.322 2 HE ARG 1 HE ARG 1 -18.288 0.631 5.903 3 H1 ARG 1 1H ARG 1 -16.857 2.814 -0.504 4 H2 ARG 1 2H ARG 1 -15.470 2.038 -0.963 5 H3 ARG 1 3H ARG 1 -16.909 1.222 -0.958 6 HB2 ARG 1 1HB ARG 1 -18.081 2.268 1.459 7 HB3 ARG 1 2HB ARG 1 -18.006 0.526 1.276 8 HG2 ARG 1 1HG ARG 1 -16.221 0.842 3.326 9 HG3 ARG 1 2HG ARG 1 -17.255 2.225 3.627 10 HD2 ARG 1 1HD ARG 1 -19.248 0.795 3.741 11 HD3 ARG 1 2HD ARG 1 -18.331 -0.606 3.223 12 HH11 ARG 1 1HH1 ARG 1 -16.738 -1.660 3.688 13 HH12 ARG 1 2HH1 ARG 1 -15.936 -2.531 4.952 14 HH21 ARG 1 1HH2 ARG 1 -17.257 -0.490 7.521 15 HH22 ARG 1 2HH2 ARG 1 -16.240 -1.842 7.227 16 H TRP 2 H TRP 2 -13.763 1.020 -0.019 17 HA TRP 2 HA TRP 2 -13.598 -1.575 1.258 18 HD1 TRP 2 HD1 TRP 2 -11.558 -3.244 -2.272 19 HE1 TRP 2 HE1 TRP 2 -10.542 -2.036 -4.387 20 HE3 TRP 2 HE3 TRP 2 -14.497 0.894 -1.972 21 HZ2 TRP 2 HZ2 TRP 2 -11.070 0.459 -5.668 22 HZ3 TRP 2 HZ3 TRP 2 -14.182 2.669 -3.694 23 HH2 TRP 2 HH2 TRP 2 -12.539 2.501 -5.496 24 HB2 TRP 2 1HB TRP 2 -13.530 -2.898 -0.582 25 HB3 TRP 2 2HB TRP 2 -14.732 -1.729 -1.092 26 H CYS 3 H CYS 3 -11.314 -2.400 1.119 27 HA CYS 3 HA CYS 3 -9.453 -0.233 0.479 28 HB2 CYS 3 1HB CYS 3 -9.058 -2.093 2.816 29 HB3 CYS 3 2HB CYS 3 -8.176 -0.630 2.426 30 H VAL 4 H VAL 4 -7.335 -1.005 -0.263 31 HA VAL 4 HA VAL 4 -7.176 -3.875 -0.764 32 HB VAL 4 HB VAL 4 -6.646 -3.556 -3.079 33 HG11 VAL 4 1HG1 VAL 4 -8.791 -3.252 -3.879 34 HG12 VAL 4 2HG1 VAL 4 -9.112 -3.542 -2.152 35 HG13 VAL 4 3HG1 VAL 4 -9.122 -1.881 -2.793 36 HG21 VAL 4 3HG2 VAL 4 -5.618 -1.235 -2.676 37 HG22 VAL 4 1HG2 VAL 4 -6.501 -1.490 -4.200 38 HG23 VAL 4 2HG2 VAL 4 -7.273 -0.606 -2.862 39 H TYR 5 H TYR 5 -4.973 -4.619 -1.116 40 HA TYR 5 HA TYR 5 -3.062 -2.796 0.137 41 HD1 TYR 5 HD2 TYR 5 -4.774 -3.717 1.614 42 HD2 TYR 5 HD1 TYR 5 -3.498 -7.626 0.435 43 HE1 TYR 5 HE2 TYR 5 -6.681 -4.748 2.943 44 HE2 TYR 5 HE1 TYR 5 -5.409 -8.644 1.768 45 HH TYR 5 HH TYR 5 -7.814 -7.671 2.494 46 HB2 TYR 5 1HB TYR 5 -2.571 -5.700 -0.626 47 HB3 TYR 5 2HB TYR 5 -2.024 -4.854 0.809 48 H ALA 6 H ALA 6 -1.132 -2.170 -0.840 49 HA ALA 6 HA ALA 6 -0.443 -3.328 -3.401 50 HB1 ALA 6 3HB ALA 6 -0.280 -0.584 -3.920 51 HB2 ALA 6 1HB ALA 6 -1.485 -1.715 -4.581 52 HB3 ALA 6 2HB ALA 6 -1.854 -0.779 -3.112 53 H TYR 7 H TYR 7 1.748 -2.590 -4.107 54 HA TYR 7 HA TYR 7 3.342 -1.941 -1.734 55 HD1 TYR 7 HD2 TYR 7 3.350 -4.371 -1.133 56 HD2 TYR 7 HD1 TYR 7 3.455 -4.922 -5.374 57 HE1 TYR 7 HE2 TYR 7 2.298 -6.670 -0.867 58 HE2 TYR 7 HE1 TYR 7 2.403 -7.220 -5.094 59 HH TYR 7 HH TYR 7 2.464 -8.953 -2.744 60 HB2 TYR 7 1HB TYR 7 4.238 -2.933 -4.495 61 HB3 TYR 7 2HB TYR 7 5.085 -3.141 -2.975 62 H VAL 8 H VAL 8 5.014 -0.349 -1.831 63 HA VAL 8 HA VAL 8 5.013 1.327 -4.221 64 HB VAL 8 HB VAL 8 3.401 2.399 -2.852 65 HG11 VAL 8 1HG1 VAL 8 4.729 1.215 -0.705 66 HG12 VAL 8 2HG1 VAL 8 4.989 2.960 -0.470 67 HG13 VAL 8 3HG1 VAL 8 3.335 2.317 -0.617 68 HG21 VAL 8 3HG2 VAL 8 4.382 4.559 -2.510 69 HG22 VAL 8 1HG2 VAL 8 6.008 3.857 -2.324 70 HG23 VAL 8 2HG2 VAL 8 5.196 3.816 -3.908 71 H ARG 9 H ARG 9 6.937 2.806 -4.256 72 HA ARG 9 HA ARG 9 9.145 1.360 -3.114 73 HE ARG 9 HE ARG 9 10.617 4.893 -6.668 74 HB2 ARG 9 1HB ARG 9 9.675 1.826 -5.339 75 HB3 ARG 9 2HB ARG 9 8.757 3.318 -5.360 76 HG2 ARG 9 1HG ARG 9 10.501 4.577 -4.413 77 HG3 ARG 9 2HG ARG 9 11.208 3.193 -3.603 78 HD2 ARG 9 1HD ARG 9 12.741 3.424 -5.336 79 HD3 ARG 9 2HD ARG 9 11.609 2.337 -6.116 80 HH11 ARG 9 1HH1 ARG 9 13.673 3.199 -7.253 81 HH12 ARG 9 2HH1 ARG 9 14.037 4.093 -8.691 82 HH21 ARG 9 1HH2 ARG 9 11.087 6.038 -8.513 83 HH22 ARG 9 2HH2 ARG 9 12.508 5.778 -9.444 84 H ILE 10 H ILE 10 9.713 1.978 -1.041 85 HA ILE 10 HA ILE 10 9.933 4.862 -0.562 86 HB ILE 10 HB ILE 10 8.612 2.779 1.161 87 HG12 ILE 10 1HG1 ILE 10 7.604 4.631 -0.645 88 HG13 ILE 10 2HG1 ILE 10 6.705 3.776 0.592 89 HG21 ILE 10 1HG2 ILE 10 8.593 4.334 3.008 90 HG22 ILE 10 2HG2 ILE 10 10.274 4.011 2.522 91 HG23 ILE 10 3HG2 ILE 10 9.490 5.539 2.053 92 HD11 ILE 10 3HD1 ILE 10 7.190 5.606 2.220 93 HD12 ILE 10 1HD1 ILE 10 8.082 6.478 0.950 94 HD13 ILE 10 2HD1 ILE 10 6.330 6.208 0.783 95 H ARG 11 H ARG 11 11.902 5.478 0.194 96 HA ARG 11 HA ARG 11 13.934 5.371 0.917 97 HE ARG 11 HE ARG 11 11.948 5.049 5.422 98 HB2 ARG 11 1HB ARG 11 12.664 3.138 2.478 99 HB3 ARG 11 2HB ARG 11 14.416 3.170 2.467 100 HG2 ARG 11 1HG ARG 11 14.226 5.677 3.106 101 HG3 ARG 11 2HG ARG 11 12.528 5.367 3.413 102 HD2 ARG 11 1HD ARG 11 14.224 3.329 4.685 103 HD3 ARG 11 2HD ARG 11 14.671 4.940 5.209 104 HH11 ARG 11 1HH1 ARG 11 14.282 2.629 6.540 105 HH12 ARG 11 2HH1 ARG 11 13.315 2.140 7.891 106 HH21 ARG 11 1HH2 ARG 11 10.711 4.418 7.156 107 HH22 ARG 11 2HH2 ARG 11 11.196 3.197 8.263 108 H GLY 12 H GLY 12 13.304 4.202 -1.658 109 HA3 GLY 12 2HA GLY 12 15.717 2.885 -2.249 110 H VAL 13 H VAL 13 12.729 1.731 -0.870 111 HA VAL 13 HA VAL 13 13.418 -1.007 -1.680 112 HB VAL 13 HB VAL 13 12.348 -0.337 1.042 113 HG11 VAL 13 1HG1 VAL 13 13.986 -2.451 1.372 114 HG12 VAL 13 2HG1 VAL 13 12.276 -2.606 0.901 115 HG13 VAL 13 3HG1 VAL 13 13.552 -2.682 -0.339 116 HG21 VAL 13 3HG2 VAL 13 15.070 0.218 0.016 117 HG22 VAL 13 1HG2 VAL 13 14.205 0.898 1.416 118 HG23 VAL 13 2HG2 VAL 13 15.000 -0.690 1.546 119 H LEU 14 H LEU 14 11.527 -2.537 -1.439 120 HA LEU 14 HA LEU 14 9.103 -1.094 -2.214 121 HG LEU 14 HG LEU 14 7.660 -3.900 -3.744 122 HB2 LEU 14 1HB LEU 14 10.338 -2.906 -3.637 123 HB3 LEU 14 2HB LEU 14 9.535 -4.038 -2.567 124 HD11 LEU 14 1HD1 LEU 14 6.329 -1.919 -3.916 125 HD12 LEU 14 2HD1 LEU 14 7.132 -1.910 -2.327 126 HD13 LEU 14 3HD1 LEU 14 7.745 -0.876 -3.640 127 HD21 LEU 14 3HD2 LEU 14 9.182 -1.951 -5.496 128 HD22 LEU 14 1HD2 LEU 14 9.138 -3.723 -5.655 129 HD23 LEU 14 2HD2 LEU 14 7.663 -2.767 -5.937 130 H VAL 15 H VAL 15 7.632 -0.771 -0.641 131 HA VAL 15 HA VAL 15 7.416 -2.875 1.401 132 HB VAL 15 HB VAL 15 6.662 -0.031 1.934 133 HG11 VAL 15 1HG1 VAL 15 7.234 -2.502 3.467 134 HG12 VAL 15 2HG1 VAL 15 7.847 -0.991 4.182 135 HG13 VAL 15 3HG1 VAL 15 6.113 -1.164 3.816 136 HG21 VAL 15 3HG2 VAL 15 8.913 0.130 0.961 137 HG22 VAL 15 1HG2 VAL 15 8.935 0.481 2.706 138 HG23 VAL 15 2HG2 VAL 15 9.501 -1.097 2.109 139 H ARG 16 H ARG 16 5.279 -3.411 2.110 140 HA ARG 16 HA ARG 16 3.339 -2.781 0.074 141 HE ARG 16 HE ARG 16 4.079 -7.789 2.929 142 HB2 ARG 16 1HB ARG 16 2.754 -4.657 2.370 143 HB3 ARG 16 2HB ARG 16 2.234 -4.767 0.700 144 HG2 ARG 16 1HG ARG 16 4.700 -5.190 0.083 145 HG3 ARG 16 2HG ARG 16 5.021 -5.340 1.799 146 HD2 ARG 16 1HD ARG 16 2.709 -6.967 1.171 147 HD3 ARG 16 2HD ARG 16 3.969 -7.337 0.010 148 HH11 ARG 16 1HH1 ARG 16 5.877 -7.718 -0.124 149 HH12 ARG 16 2HH1 ARG 16 7.178 -8.691 0.477 150 HH21 ARG 16 1HH2 ARG 16 5.750 -9.037 3.695 151 HH22 ARG 16 2HH2 ARG 16 7.110 -9.476 2.740 152 H TYR 17 H TYR 17 1.165 -2.004 0.629 153 HA TYR 17 HA TYR 17 0.743 -1.135 3.363 154 HD1 TYR 17 HD2 TYR 17 -1.312 1.578 0.910 155 HD2 TYR 17 HD1 TYR 17 2.606 0.288 -0.224 156 HE1 TYR 17 HE2 TYR 17 -1.806 2.182 -1.509 157 HE2 TYR 17 HE1 TYR 17 2.099 0.896 -2.640 158 HH TYR 17 HH TYR 17 -0.091 2.877 -3.576 159 HB2 TYR 17 1HB TYR 17 0.438 1.218 2.590 160 HB3 TYR 17 2HB TYR 17 2.040 0.683 2.124 161 H ARG 18 H ARG 18 -1.510 -0.119 3.583 162 HA ARG 18 HA ARG 18 -3.241 -1.274 1.549 163 HE ARG 18 HE ARG 18 -4.873 -3.190 5.504 164 HB2 ARG 18 1HB ARG 18 -3.840 -1.149 4.546 165 HB3 ARG 18 2HB ARG 18 -4.843 -1.903 3.323 166 HG2 ARG 18 1HG ARG 18 -3.600 -3.813 3.331 167 HG3 ARG 18 2HG ARG 18 -2.091 -2.928 3.216 168 HD2 ARG 18 1HD ARG 18 -2.152 -4.180 5.336 169 HD3 ARG 18 2HD ARG 18 -2.171 -2.461 5.673 170 HH11 ARG 18 1HH1 ARG 18 -2.106 -4.150 7.498 171 HH12 ARG 18 2HH1 ARG 18 -3.080 -4.564 8.870 172 HH21 ARG 18 1HH2 ARG 18 -6.118 -3.724 7.265 173 HH22 ARG 18 2HH2 ARG 18 -5.460 -4.314 8.738 174 H ARG 19 H ARG 19 -4.854 0.111 0.775 175 HA ARG 19 HA ARG 19 -5.200 2.572 2.291 176 HE ARG 19 HE ARG 19 -5.171 5.452 0.680 177 HB2 ARG 19 1HB ARG 19 -4.847 2.171 -0.708 178 HB3 ARG 19 2HB ARG 19 -5.640 3.604 -0.085 179 HG2 ARG 19 1HG ARG 19 -3.440 3.632 1.510 180 HG3 ARG 19 2HG ARG 19 -2.761 2.772 0.142 181 HD2 ARG 19 1HD ARG 19 -2.376 5.148 -0.216 182 HD3 ARG 19 2HD ARG 19 -3.581 4.628 -1.377 183 HH11 ARG 19 1HH1 ARG 19 -2.387 7.009 -0.864 184 HH12 ARG 19 2HH1 ARG 19 -2.949 8.615 -0.540 185 HH21 ARG 19 1HH2 ARG 19 -5.887 7.514 1.093 186 HH22 ARG 19 2HH2 ARG 19 -5.024 8.921 0.620 187 H CYS 20 H CYS 20 -7.357 3.689 1.777 188 HA CYS 20 HA CYS 20 -9.351 1.667 1.049 189 HB2 CYS 20 1HB CYS 20 -9.550 3.833 3.152 190 HB3 CYS 20 2HB CYS 20 -10.896 2.853 2.607 191 H TRP 21 H TRP 21 -11.335 2.615 0.018 192 HA TRP 21 HA TRP 21 -10.627 4.531 -1.930 193 HD1 TRP 21 1HD TRP 21 -15.136 4.310 -3.067 194 HE1 TRP 21 HE1 TRP 21 -17.116 4.821 -1.399 195 HE3 TRP 21 HE3 TRP 21 -12.431 3.619 1.183 196 HZ2 TRP 21 HZ2 TRP 21 -17.325 4.877 1.446 197 HZ3 TRP 21 HZ3 TRP 21 -13.599 3.922 3.364 198 HH2 TRP 21 2HH TRP 21 -15.960 4.529 3.538 199 HB2 TRP 21 1HB TRP 21 -12.533 3.930 -2.946 200 HB3 TRP 21 2HB TRP 21 -12.421 2.567 -1.849 Start of MODEL 12 1 HA ARG 1 HA ARG 1 -15.628 2.153 1.412 2 HE ARG 1 HE ARG 1 -17.223 -1.120 5.603 3 H1 ARG 1 1H ARG 1 -17.029 2.550 -0.375 4 H2 ARG 1 2H ARG 1 -15.643 1.793 -0.866 5 H3 ARG 1 3H ARG 1 -17.062 0.946 -0.781 6 HB2 ARG 1 1HB ARG 1 -18.145 2.057 1.684 7 HB3 ARG 1 2HB ARG 1 -18.076 0.317 1.483 8 HG2 ARG 1 1HG ARG 1 -16.159 0.767 3.465 9 HG3 ARG 1 2HG ARG 1 -17.379 1.968 3.842 10 HD2 ARG 1 1HD ARG 1 -19.137 0.222 3.892 11 HD3 ARG 1 2HD ARG 1 -17.980 -0.997 3.397 12 HH11 ARG 1 1HH1 ARG 1 -18.899 1.971 5.168 13 HH12 ARG 1 2HH1 ARG 1 -18.795 2.404 6.842 14 HH21 ARG 1 1HH2 ARG 1 -17.092 -0.560 7.749 15 HH22 ARG 1 2HH2 ARG 1 -17.725 0.908 8.378 16 H TRP 2 H TRP 2 -13.853 0.859 0.094 17 HA TRP 2 HA TRP 2 -13.605 -1.710 1.408 18 HD1 TRP 2 HD1 TRP 2 -11.561 -3.372 -2.112 19 HE1 TRP 2 HE1 TRP 2 -10.620 -2.180 -4.270 20 HE3 TRP 2 HE3 TRP 2 -14.650 0.660 -1.871 21 HZ2 TRP 2 HZ2 TRP 2 -11.259 0.260 -5.604 22 HZ3 TRP 2 HZ3 TRP 2 -14.426 2.401 -3.641 23 HH2 TRP 2 HH2 TRP 2 -12.803 2.249 -5.461 24 HB2 TRP 2 1HB TRP 2 -13.534 -3.062 -0.411 25 HB3 TRP 2 2HB TRP 2 -14.774 -1.933 -0.920 26 H CYS 3 H CYS 3 -11.307 -2.478 1.259 27 HA CYS 3 HA CYS 3 -9.506 -0.288 0.531 28 HB2 CYS 3 1HB CYS 3 -9.025 -2.057 2.920 29 HB3 CYS 3 2HB CYS 3 -8.204 -0.574 2.476 30 H VAL 4 H VAL 4 -7.416 -1.021 -0.271 31 HA VAL 4 HA VAL 4 -7.160 -3.905 -0.634 32 HB VAL 4 HB VAL 4 -6.717 -3.679 -2.981 33 HG11 VAL 4 1HG1 VAL 4 -9.111 -3.862 -2.093 34 HG12 VAL 4 2HG1 VAL 4 -9.277 -2.138 -2.502 35 HG13 VAL 4 3HG1 VAL 4 -8.914 -3.325 -3.778 36 HG21 VAL 4 3HG2 VAL 4 -7.458 -0.750 -2.873 37 HG22 VAL 4 1HG2 VAL 4 -5.773 -1.307 -2.733 38 HG23 VAL 4 2HG2 VAL 4 -6.709 -1.664 -4.204 39 H TYR 5 H TYR 5 -4.940 -4.579 -1.046 40 HA TYR 5 HA TYR 5 -3.070 -2.690 0.140 41 HD1 TYR 5 HD2 TYR 5 -4.737 -3.782 1.539 42 HD2 TYR 5 HD1 TYR 5 -3.141 -7.551 0.294 43 HE1 TYR 5 HE2 TYR 5 -6.521 -4.991 2.888 44 HE2 TYR 5 HE1 TYR 5 -4.930 -8.747 1.646 45 HH TYR 5 HH TYR 5 -7.074 -6.965 3.775 46 HB2 TYR 5 1HB TYR 5 -2.447 -5.517 -0.795 47 HB3 TYR 5 2HB TYR 5 -1.889 -4.714 0.660 48 H ALA 6 H ALA 6 -1.073 -2.096 -0.832 49 HA ALA 6 HA ALA 6 -0.588 -2.974 -3.546 50 HB1 ALA 6 3HB ALA 6 -1.860 -1.205 -4.286 51 HB2 ALA 6 1HB ALA 6 -1.613 -0.262 -2.797 52 HB3 ALA 6 2HB ALA 6 -0.324 -0.344 -4.022 53 H TYR 7 H TYR 7 1.590 -2.227 -4.303 54 HA TYR 7 HA TYR 7 3.350 -1.948 -1.976 55 HD1 TYR 7 HD1 TYR 7 4.331 -4.737 -1.863 56 HD2 TYR 7 HD2 TYR 7 2.239 -4.193 -5.555 57 HE1 TYR 7 HE1 TYR 7 3.322 -7.061 -1.642 58 HE2 TYR 7 HE2 TYR 7 1.238 -6.518 -5.322 59 HH TYR 7 HH TYR 7 2.018 -8.699 -4.102 60 HB2 TYR 7 1HB TYR 7 3.946 -2.650 -4.911 61 HB3 TYR 7 2HB TYR 7 4.989 -2.967 -3.539 62 H VAL 8 H VAL 8 5.071 -0.412 -1.967 63 HA VAL 8 HA VAL 8 5.059 1.533 -4.136 64 HB VAL 8 HB VAL 8 3.491 2.503 -2.657 65 HG11 VAL 8 1HG1 VAL 8 3.570 2.547 -0.342 66 HG12 VAL 8 2HG1 VAL 8 4.333 0.978 -0.695 67 HG13 VAL 8 3HG1 VAL 8 5.342 2.388 -0.290 68 HG21 VAL 8 3HG2 VAL 8 6.207 3.745 -2.098 69 HG22 VAL 8 1HG2 VAL 8 5.189 4.047 -3.527 70 HG23 VAL 8 2HG2 VAL 8 4.630 4.550 -1.913 71 H ARG 9 H ARG 9 7.038 2.854 -4.161 72 HA ARG 9 HA ARG 9 9.192 1.312 -3.020 73 HE ARG 9 HE ARG 9 10.828 2.855 -7.595 74 HB2 ARG 9 1HB ARG 9 9.737 1.681 -5.258 75 HB3 ARG 9 2HB ARG 9 8.876 3.206 -5.331 76 HG2 ARG 9 1HG ARG 9 10.664 4.422 -4.369 77 HG3 ARG 9 2HG ARG 9 11.357 3.004 -3.608 78 HD2 ARG 9 1HD ARG 9 12.700 3.766 -5.581 79 HD3 ARG 9 2HD ARG 9 12.108 2.129 -5.782 80 HH11 ARG 9 1HH1 ARG 9 11.648 5.671 -5.607 81 HH12 ARG 9 2HH1 ARG 9 10.966 6.810 -6.720 82 HH21 ARG 9 1HH2 ARG 9 9.955 4.319 -9.019 83 HH22 ARG 9 2HH2 ARG 9 9.961 6.015 -8.745 84 H ILE 10 H ILE 10 9.939 1.977 -1.029 85 HA ILE 10 HA ILE 10 10.276 4.853 -0.635 86 HB ILE 10 HB ILE 10 8.645 2.974 1.011 87 HG12 ILE 10 1HG1 ILE 10 8.107 5.175 -0.601 88 HG13 ILE 10 2HG1 ILE 10 7.010 4.402 0.525 89 HG21 ILE 10 1HG2 ILE 10 10.310 5.246 2.112 90 HG22 ILE 10 2HG2 ILE 10 8.876 4.588 2.937 91 HG23 ILE 10 3HG2 ILE 10 10.284 3.543 2.630 92 HD11 ILE 10 3HD1 ILE 10 7.335 6.932 0.825 93 HD12 ILE 10 1HD1 ILE 10 7.556 5.945 2.289 94 HD13 ILE 10 2HD1 ILE 10 8.975 6.556 1.406 95 H ARG 11 H ARG 11 12.244 5.379 0.220 96 HA ARG 11 HA ARG 11 14.248 5.157 0.995 97 HE ARG 11 HE ARG 11 14.763 3.386 5.318 98 HB2 ARG 11 1HB ARG 11 12.855 2.932 2.484 99 HB3 ARG 11 2HB ARG 11 14.605 2.972 2.559 100 HG2 ARG 11 1HG ARG 11 13.196 5.583 3.014 101 HG3 ARG 11 2HG ARG 11 13.011 4.372 4.268 102 HD2 ARG 11 1HD ARG 11 15.784 4.910 3.187 103 HD3 ARG 11 2HD ARG 11 15.079 6.073 4.291 104 HH11 ARG 11 1HH1 ARG 11 17.165 5.962 4.935 105 HH12 ARG 11 2HH1 ARG 11 18.124 5.438 6.279 106 HH21 ARG 11 1HH2 ARG 11 15.996 2.717 7.041 107 HH22 ARG 11 2HH2 ARG 11 17.436 3.514 7.532 108 H GLY 12 H GLY 12 13.624 4.048 -1.605 109 HA3 GLY 12 2HA GLY 12 15.975 2.616 -2.157 110 H VAL 13 H VAL 13 12.940 1.591 -0.802 111 HA VAL 13 HA VAL 13 13.505 -1.171 -1.627 112 HB VAL 13 HB VAL 13 12.431 -0.471 1.085 113 HG11 VAL 13 1HG1 VAL 13 13.314 -2.861 -0.334 114 HG12 VAL 13 2HG1 VAL 13 14.144 -2.666 1.228 115 HG13 VAL 13 3HG1 VAL 13 12.366 -2.706 1.164 116 HG21 VAL 13 3HG2 VAL 13 15.077 -0.938 1.595 117 HG22 VAL 13 1HG2 VAL 13 15.170 0.018 0.097 118 HG23 VAL 13 2HG2 VAL 13 14.325 0.674 1.520 119 H LEU 14 H LEU 14 11.538 -2.615 -1.393 120 HA LEU 14 HA LEU 14 9.193 -1.060 -2.198 121 HG LEU 14 HG LEU 14 7.635 -3.762 -3.771 122 HB2 LEU 14 1HB LEU 14 10.370 -2.942 -3.597 123 HB3 LEU 14 2HB LEU 14 9.469 -4.020 -2.549 124 HD11 LEU 14 1HD1 LEU 14 6.443 -1.700 -3.982 125 HD12 LEU 14 2HD1 LEU 14 7.207 -1.732 -2.374 126 HD13 LEU 14 3HD1 LEU 14 7.917 -0.749 -3.678 127 HD21 LEU 14 3HD2 LEU 14 9.298 -1.906 -5.496 128 HD22 LEU 14 1HD2 LEU 14 9.202 -3.678 -5.633 129 HD23 LEU 14 2HD2 LEU 14 7.767 -2.680 -5.970 130 H VAL 15 H VAL 15 7.669 -0.710 -0.685 131 HA VAL 15 HA VAL 15 7.386 -2.769 1.394 132 HB VAL 15 HB VAL 15 6.733 0.143 1.769 133 HG11 VAL 15 1HG1 VAL 15 5.859 -1.568 3.368 134 HG12 VAL 15 2HG1 VAL 15 7.540 -2.004 3.758 135 HG13 VAL 15 3HG1 VAL 15 6.938 -0.368 4.120 136 HG21 VAL 15 3HG2 VAL 15 8.969 0.434 1.264 137 HG22 VAL 15 1HG2 VAL 15 9.052 0.112 3.013 138 HG23 VAL 15 2HG2 VAL 15 9.427 -1.183 1.851 139 H ARG 16 H ARG 16 5.213 -3.216 2.113 140 HA ARG 16 HA ARG 16 3.324 -2.616 0.010 141 HE ARG 16 HE ARG 16 5.601 -7.099 -0.128 142 HB2 ARG 16 1HB ARG 16 2.693 -4.494 2.293 143 HB3 ARG 16 2HB ARG 16 2.197 -4.598 0.615 144 HG2 ARG 16 1HG ARG 16 4.721 -4.981 0.077 145 HG3 ARG 16 2HG ARG 16 4.926 -5.249 1.797 146 HD2 ARG 16 1HD ARG 16 3.510 -7.178 1.793 147 HD3 ARG 16 2HD ARG 16 2.778 -6.753 0.258 148 HH11 ARG 16 1HH1 ARG 16 2.689 -9.009 0.527 149 HH12 ARG 16 2HH1 ARG 16 3.313 -10.444 -0.214 150 HH21 ARG 16 1HH2 ARG 16 6.397 -8.943 -1.078 151 HH22 ARG 16 2HH2 ARG 16 5.512 -10.412 -1.168 152 H TYR 17 H TYR 17 1.096 -1.918 0.572 153 HA TYR 17 HA TYR 17 0.689 -0.985 3.287 154 HD1 TYR 17 HD2 TYR 17 -1.479 1.603 0.799 155 HD2 TYR 17 HD1 TYR 17 2.451 0.385 -0.372 156 HE1 TYR 17 HE2 TYR 17 -2.032 2.126 -1.626 157 HE2 TYR 17 HE1 TYR 17 1.885 0.913 -2.794 158 HH TYR 17 HH TYR 17 0.447 1.884 -4.133 159 HB2 TYR 17 1HB TYR 17 0.308 1.336 2.456 160 HB3 TYR 17 2HB TYR 17 1.916 0.831 1.975 161 H ARG 18 H ARG 18 -1.593 0.117 3.409 162 HA ARG 18 HA ARG 18 -3.319 -1.172 1.460 163 HE ARG 18 HE ARG 18 -4.960 -3.455 5.286 164 HB2 ARG 18 1HB ARG 18 -3.882 -1.040 4.464 165 HB3 ARG 18 2HB ARG 18 -4.884 -1.824 3.259 166 HG2 ARG 18 1HG ARG 18 -3.558 -3.690 3.187 167 HG3 ARG 18 2HG ARG 18 -2.076 -2.756 3.193 168 HD2 ARG 18 1HD ARG 18 -2.062 -3.957 5.267 169 HD3 ARG 18 2HD ARG 18 -2.498 -2.316 5.698 170 HH11 ARG 18 1HH1 ARG 18 -2.164 -4.494 7.199 171 HH12 ARG 18 2HH1 ARG 18 -3.121 -5.343 8.366 172 HH21 ARG 18 1HH2 ARG 18 -6.184 -4.546 6.785 173 HH22 ARG 18 2HH2 ARG 18 -5.506 -5.378 8.127 174 H ARG 19 H ARG 19 -4.951 0.181 0.681 175 HA ARG 19 HA ARG 19 -5.335 2.644 2.183 176 HE ARG 19 HE ARG 19 -5.399 5.506 0.552 177 HB2 ARG 19 1HB ARG 19 -5.034 2.209 -0.816 178 HB3 ARG 19 2HB ARG 19 -5.850 3.632 -0.200 179 HG2 ARG 19 1HG ARG 19 -3.622 3.737 1.353 180 HG3 ARG 19 2HG ARG 19 -2.948 2.875 -0.016 181 HD2 ARG 19 1HD ARG 19 -2.628 5.251 -0.420 182 HD3 ARG 19 2HD ARG 19 -3.849 4.688 -1.544 183 HH11 ARG 19 1HH1 ARG 19 -2.717 7.101 -1.128 184 HH12 ARG 19 2HH1 ARG 19 -3.314 8.698 -0.824 185 HH21 ARG 19 1HH2 ARG 19 -6.159 7.557 0.940 186 HH22 ARG 19 2HH2 ARG 19 -5.354 8.976 0.401 187 H CYS 20 H CYS 20 -7.527 3.709 1.701 188 HA CYS 20 HA CYS 20 -9.492 1.631 1.055 189 HB2 CYS 20 1HB CYS 20 -9.700 3.848 3.102 190 HB3 CYS 20 2HB CYS 20 -11.030 2.815 2.615 191 H TRP 21 H TRP 21 -11.511 2.506 0.034 192 HA TRP 21 HA TRP 21 -10.882 4.392 -1.970 193 HD1 TRP 21 1HD TRP 21 -15.403 4.031 -3.026 194 HE1 TRP 21 HE1 TRP 21 -17.368 4.533 -1.337 195 HE3 TRP 21 HE3 TRP 21 -12.611 3.513 1.193 196 HZ2 TRP 21 HZ2 TRP 21 -17.530 4.654 1.510 197 HZ3 TRP 21 HZ3 TRP 21 -13.750 3.840 3.386 198 HH2 TRP 21 2HH TRP 21 -16.122 4.392 3.586 199 HB2 TRP 21 1HB TRP 21 -12.789 3.720 -2.940 200 HB3 TRP 21 2HB TRP 21 -12.626 2.387 -1.814 Start of MODEL 13 1 HA ARG 1 HA ARG 1 -15.825 1.963 -0.070 2 HE ARG 1 HE ARG 1 -18.792 -0.930 4.923 3 H1 ARG 1 1H ARG 1 -18.108 1.911 -0.383 4 H2 ARG 1 2H ARG 1 -17.349 0.818 -1.366 5 H3 ARG 1 3H ARG 1 -18.177 0.294 -0.033 6 HB2 ARG 1 1HB ARG 1 -15.873 1.996 2.316 7 HB3 ARG 1 2HB ARG 1 -17.546 2.245 1.861 8 HG2 ARG 1 1HG ARG 1 -17.885 -0.287 2.088 9 HG3 ARG 1 2HG ARG 1 -16.270 -0.377 2.762 10 HD2 ARG 1 1HD ARG 1 -17.002 1.349 4.512 11 HD3 ARG 1 2HD ARG 1 -18.636 1.181 3.903 12 HH11 ARG 1 1HH1 ARG 1 -15.403 0.101 4.886 13 HH12 ARG 1 2HH1 ARG 1 -14.870 -1.186 5.915 14 HH21 ARG 1 1HH2 ARG 1 -18.105 -2.580 6.242 15 HH22 ARG 1 2HH2 ARG 1 -16.467 -2.780 6.723 16 H TRP 2 H TRP 2 -13.920 0.816 -0.298 17 HA TRP 2 HA TRP 2 -13.792 -1.903 0.691 18 HD1 TRP 2 HD1 TRP 2 -11.310 -3.021 -2.783 19 HE1 TRP 2 HE1 TRP 2 -10.211 -1.521 -4.656 20 HE3 TRP 2 HE3 TRP 2 -14.577 0.849 -2.336 21 HZ2 TRP 2 HZ2 TRP 2 -10.819 1.058 -5.716 22 HZ3 TRP 2 HZ3 TRP 2 -14.254 2.820 -3.828 23 HH2 TRP 2 HH2 TRP 2 -12.453 2.963 -5.474 24 HB2 TRP 2 1HB TRP 2 -13.455 -3.002 -1.273 25 HB3 TRP 2 2HB TRP 2 -14.684 -1.848 -1.751 26 H CYS 3 H CYS 3 -11.482 -2.646 0.721 27 HA CYS 3 HA CYS 3 -9.637 -0.386 0.491 28 HB2 CYS 3 1HB CYS 3 -9.612 -2.420 2.728 29 HB3 CYS 3 2HB CYS 3 -8.501 -1.082 2.516 30 H VAL 4 H VAL 4 -7.472 -1.009 -0.169 31 HA VAL 4 HA VAL 4 -7.036 -3.825 -0.718 32 HB VAL 4 HB VAL 4 -6.567 -3.503 -3.035 33 HG11 VAL 4 1HG1 VAL 4 -8.802 -2.916 -3.908 34 HG12 VAL 4 2HG1 VAL 4 -8.898 -3.976 -2.481 35 HG13 VAL 4 3HG1 VAL 4 -9.234 -2.235 -2.322 36 HG21 VAL 4 3HG2 VAL 4 -6.556 -1.469 -4.193 37 HG22 VAL 4 1HG2 VAL 4 -7.468 -0.625 -2.918 38 HG23 VAL 4 2HG2 VAL 4 -5.766 -1.072 -2.648 39 H TYR 5 H TYR 5 -4.770 -4.329 -1.021 40 HA TYR 5 HA TYR 5 -3.078 -2.280 0.190 41 HD1 TYR 5 HD1 TYR 5 -4.488 -3.378 1.918 42 HD2 TYR 5 HD2 TYR 5 -3.152 -7.113 0.315 43 HE1 TYR 5 HE1 TYR 5 -6.267 -4.600 3.263 44 HE2 TYR 5 HE2 TYR 5 -4.935 -8.322 1.665 45 HH TYR 5 HH TYR 5 -6.195 -7.863 3.798 46 HB2 TYR 5 1HB TYR 5 -2.260 -5.119 -0.535 47 HB3 TYR 5 2HB TYR 5 -1.813 -4.198 0.887 48 H ALA 6 H ALA 6 -0.976 -1.762 -0.690 49 HA ALA 6 HA ALA 6 -0.410 -2.703 -3.367 50 HB1 ALA 6 3HB ALA 6 -0.114 -0.134 -3.958 51 HB2 ALA 6 1HB ALA 6 -1.698 -0.929 -4.130 52 HB3 ALA 6 2HB ALA 6 -1.356 0.074 -2.700 53 H TYR 7 H TYR 7 1.800 -1.990 -4.066 54 HA TYR 7 HA TYR 7 3.469 -1.567 -1.684 55 HD1 TYR 7 HD2 TYR 7 3.396 -3.966 -1.043 56 HD2 TYR 7 HD1 TYR 7 3.282 -4.581 -5.276 57 HE1 TYR 7 HE2 TYR 7 2.221 -6.193 -0.695 58 HE2 TYR 7 HE1 TYR 7 2.107 -6.807 -4.913 59 HH TYR 7 HH TYR 7 1.149 -7.831 -1.664 60 HB2 TYR 7 1HB TYR 7 4.223 -2.633 -4.464 61 HB3 TYR 7 2HB TYR 7 5.117 -2.867 -2.975 62 H VAL 8 H VAL 8 4.970 0.093 -1.632 63 HA VAL 8 HA VAL 8 5.120 1.738 -4.061 64 HB VAL 8 HB VAL 8 3.685 2.904 -2.601 65 HG11 VAL 8 1HG1 VAL 8 3.639 2.331 -0.441 66 HG12 VAL 8 2HG1 VAL 8 5.285 1.658 -0.514 67 HG13 VAL 8 3HG1 VAL 8 5.047 3.395 -0.209 68 HG21 VAL 8 3HG2 VAL 8 5.434 4.287 -3.627 69 HG22 VAL 8 1HG2 VAL 8 4.965 4.923 -2.032 70 HG23 VAL 8 2HG2 VAL 8 6.485 4.016 -2.216 71 H ARG 9 H ARG 9 7.157 2.891 -4.343 72 HA ARG 9 HA ARG 9 9.295 1.331 -3.235 73 HE ARG 9 HE ARG 9 10.193 4.026 -7.149 74 HB2 ARG 9 1HB ARG 9 9.733 1.646 -5.504 75 HB3 ARG 9 2HB ARG 9 8.935 3.206 -5.554 76 HG2 ARG 9 1HG ARG 9 10.824 4.352 -4.680 77 HG3 ARG 9 2HG ARG 9 11.512 2.897 -3.986 78 HD2 ARG 9 1HD ARG 9 12.750 3.619 -6.032 79 HD3 ARG 9 2HD ARG 9 12.057 2.021 -6.226 80 HH11 ARG 9 1HH1 ARG 9 13.187 2.380 -8.088 81 HH12 ARG 9 2HH1 ARG 9 12.920 2.597 -9.786 82 HH21 ARG 9 1HH2 ARG 9 9.855 4.303 -9.327 83 HH22 ARG 9 2HH2 ARG 9 10.946 3.736 -10.527 84 H ILE 10 H ILE 10 10.036 1.987 -1.229 85 HA ILE 10 HA ILE 10 10.654 4.828 -0.937 86 HB ILE 10 HB ILE 10 8.993 3.148 0.927 87 HG12 ILE 10 1HG1 ILE 10 8.348 5.034 -1.041 88 HG13 ILE 10 2HG1 ILE 10 7.287 4.356 0.177 89 HG21 ILE 10 1HG2 ILE 10 9.236 4.806 2.646 90 HG22 ILE 10 2HG2 ILE 10 10.855 4.229 2.183 91 HG23 ILE 10 3HG2 ILE 10 10.274 5.808 1.603 92 HD11 ILE 10 3HD1 ILE 10 8.004 6.157 1.778 93 HD12 ILE 10 1HD1 ILE 10 8.996 6.868 0.481 94 HD13 ILE 10 2HD1 ILE 10 7.225 6.804 0.314 95 H ARG 11 H ARG 11 12.648 5.200 -0.042 96 HA ARG 11 HA ARG 11 14.616 4.810 0.758 97 HE ARG 11 HE ARG 11 14.431 4.361 5.495 98 HB2 ARG 11 1HB ARG 11 13.243 2.469 2.168 99 HB3 ARG 11 2HB ARG 11 14.905 2.925 2.484 100 HG2 ARG 11 1HG ARG 11 12.671 4.977 2.684 101 HG3 ARG 11 2HG ARG 11 13.020 3.902 4.024 102 HD2 ARG 11 1HD ARG 11 15.455 5.161 2.898 103 HD3 ARG 11 2HD ARG 11 14.305 6.333 3.510 104 HH11 ARG 11 1HH1 ARG 11 16.760 6.526 3.931 105 HH12 ARG 11 2HH1 ARG 11 17.798 6.612 5.316 106 HH21 ARG 11 1HH2 ARG 11 15.766 4.473 7.268 107 HH22 ARG 11 2HH2 ARG 11 17.214 5.397 7.297 108 H GLY 12 H GLY 12 13.901 3.714 -1.834 109 HA3 GLY 12 2HA GLY 12 16.128 2.089 -2.357 110 H VAL 13 H VAL 13 12.999 1.336 -1.015 111 HA VAL 13 HA VAL 13 13.320 -1.471 -1.807 112 HB VAL 13 HB VAL 13 12.444 -0.652 0.947 113 HG11 VAL 13 1HG1 VAL 13 13.513 -3.173 -0.336 114 HG12 VAL 13 2HG1 VAL 13 13.485 -2.948 1.430 115 HG13 VAL 13 3HG1 VAL 13 11.965 -2.917 0.504 116 HG21 VAL 13 3HG2 VAL 13 14.479 0.231 1.317 117 HG22 VAL 13 1HG2 VAL 13 15.055 -1.453 1.292 118 HG23 VAL 13 2HG2 VAL 13 15.155 -0.457 -0.180 119 H LEU 14 H LEU 14 11.238 -2.736 -1.454 120 HA LEU 14 HA LEU 14 9.013 -0.985 -2.193 121 HG LEU 14 HG LEU 14 7.156 -3.558 -3.660 122 HB2 LEU 14 1HB LEU 14 9.954 -2.981 -3.609 123 HB3 LEU 14 2HB LEU 14 9.007 -3.961 -2.508 124 HD11 LEU 14 1HD1 LEU 14 7.695 -0.580 -3.617 125 HD12 LEU 14 2HD1 LEU 14 6.133 -1.405 -3.839 126 HD13 LEU 14 3HD1 LEU 14 6.968 -1.486 -2.268 127 HD21 LEU 14 3HD2 LEU 14 8.624 -3.630 -5.592 128 HD22 LEU 14 1HD2 LEU 14 7.290 -2.485 -5.873 129 HD23 LEU 14 2HD2 LEU 14 8.914 -1.878 -5.469 130 H VAL 15 H VAL 15 7.625 -0.458 -0.601 131 HA VAL 15 HA VAL 15 7.323 -2.405 1.579 132 HB VAL 15 HB VAL 15 6.518 0.451 1.855 133 HG11 VAL 15 1HG1 VAL 15 7.371 -1.817 3.598 134 HG12 VAL 15 2HG1 VAL 15 7.773 -0.168 4.137 135 HG13 VAL 15 3HG1 VAL 15 6.078 -0.615 3.827 136 HG21 VAL 15 3HG2 VAL 15 8.694 0.663 0.780 137 HG22 VAL 15 1HG2 VAL 15 8.818 1.096 2.502 138 HG23 VAL 15 2HG2 VAL 15 9.405 -0.487 1.937 139 H ARG 16 H ARG 16 5.225 -2.995 2.250 140 HA ARG 16 HA ARG 16 3.247 -2.435 0.223 141 HE ARG 16 HE ARG 16 4.273 -7.533 2.908 142 HB2 ARG 16 1HB ARG 16 2.748 -4.341 2.515 143 HB3 ARG 16 2HB ARG 16 2.210 -4.456 0.851 144 HG2 ARG 16 1HG ARG 16 4.703 -4.778 0.218 145 HG3 ARG 16 2HG ARG 16 5.011 -4.983 1.931 146 HD2 ARG 16 1HD ARG 16 2.758 -6.646 1.308 147 HD3 ARG 16 2HD ARG 16 3.936 -6.911 0.038 148 HH11 ARG 16 1HH1 ARG 16 5.835 -7.234 -0.258 149 HH12 ARG 16 2HH1 ARG 16 7.199 -8.205 0.185 150 HH21 ARG 16 1HH2 ARG 16 6.024 -8.779 3.472 151 HH22 ARG 16 2HH2 ARG 16 7.317 -9.125 2.395 152 H TYR 17 H TYR 17 1.108 -1.634 0.773 153 HA TYR 17 HA TYR 17 0.686 -0.818 3.533 154 HD1 TYR 17 HD1 TYR 17 -1.393 1.742 0.844 155 HD2 TYR 17 HD2 TYR 17 2.676 0.649 0.102 156 HE1 TYR 17 HE1 TYR 17 -1.698 2.257 -1.627 157 HE2 TYR 17 HE2 TYR 17 2.358 1.167 -2.367 158 HH TYR 17 HH TYR 17 -0.566 2.693 -3.525 159 HB2 TYR 17 1HB TYR 17 0.214 1.523 2.683 160 HB3 TYR 17 2HB TYR 17 1.879 1.070 2.378 161 H ARG 18 H ARG 18 -1.577 -0.077 3.908 162 HA ARG 18 HA ARG 18 -3.307 -1.336 1.937 163 HE ARG 18 HE ARG 18 -4.940 -2.390 6.660 164 HB2 ARG 18 1HB ARG 18 -3.855 -0.836 4.907 165 HB3 ARG 18 2HB ARG 18 -4.901 -1.713 3.809 166 HG2 ARG 18 1HG ARG 18 -3.537 -3.595 3.774 167 HG3 ARG 18 2HG ARG 18 -2.062 -2.669 3.971 168 HD2 ARG 18 1HD ARG 18 -2.546 -3.997 6.012 169 HD3 ARG 18 2HD ARG 18 -2.586 -2.282 6.366 170 HH11 ARG 18 1HH1 ARG 18 -3.687 -5.488 5.483 171 HH12 ARG 18 2HH1 ARG 18 -5.149 -6.351 5.824 172 HH21 ARG 18 1HH2 ARG 18 -6.814 -3.501 7.096 173 HH22 ARG 18 2HH2 ARG 18 -7.008 -5.179 6.781 174 H ARG 19 H ARG 19 -5.011 -0.123 1.047 175 HA ARG 19 HA ARG 19 -5.312 2.550 2.163 176 HE ARG 19 HE ARG 19 -5.467 5.114 0.064 177 HB2 ARG 19 1HB ARG 19 -5.167 1.639 -0.740 178 HB3 ARG 19 2HB ARG 19 -5.947 3.151 -0.319 179 HG2 ARG 19 1HG ARG 19 -3.644 3.482 1.083 180 HG3 ARG 19 2HG ARG 19 -3.041 2.400 -0.156 181 HD2 ARG 19 1HD ARG 19 -2.731 4.672 -0.961 182 HD3 ARG 19 2HD ARG 19 -4.010 3.949 -1.916 183 HH11 ARG 19 1HH1 ARG 19 -2.797 6.396 -1.882 184 HH12 ARG 19 2HH1 ARG 19 -3.354 8.034 -1.791 185 HH21 ARG 19 1HH2 ARG 19 -6.177 7.216 0.177 186 HH22 ARG 19 2HH2 ARG 19 -5.358 8.527 -0.572 187 H CYS 20 H CYS 20 -7.520 3.554 1.625 188 HA CYS 20 HA CYS 20 -9.535 1.475 1.215 189 HB2 CYS 20 1HB CYS 20 -9.426 3.516 3.431 190 HB3 CYS 20 2HB CYS 20 -10.936 2.794 2.913 191 H TRP 21 H TRP 21 -11.617 2.406 0.382 192 HA TRP 21 HA TRP 21 -11.115 4.369 -1.584 193 HD1 TRP 21 1HD TRP 21 -15.718 4.023 -2.319 194 HE1 TRP 21 HE1 TRP 21 -17.546 4.466 -0.468 195 HE3 TRP 21 HE3 TRP 21 -12.599 3.420 1.651 196 HZ2 TRP 21 HZ2 TRP 21 -17.484 4.513 2.384 197 HZ3 TRP 21 HZ3 TRP 21 -13.563 3.681 3.935 198 HH2 TRP 21 2HH TRP 21 -15.915 4.209 4.336 199 HB2 TRP 21 1HB TRP 21 -13.095 3.753 -2.442 200 HB3 TRP 21 2HB TRP 21 -12.856 2.369 -1.395 Start of MODEL 14 1 HA ARG 1 HA ARG 1 -15.452 2.658 0.060 2 HE ARG 1 HE ARG 1 -19.304 1.113 4.643 3 H1 ARG 1 1H ARG 1 -17.743 2.852 -0.097 4 H2 ARG 1 2H ARG 1 -17.180 1.654 -1.090 5 H3 ARG 1 3H ARG 1 -17.964 1.263 0.314 6 HB2 ARG 1 1HB ARG 1 -15.331 2.780 2.435 7 HB3 ARG 1 2HB ARG 1 -17.005 3.171 2.093 8 HG2 ARG 1 1HG ARG 1 -17.475 0.620 2.388 9 HG3 ARG 1 2HG ARG 1 -15.875 0.530 3.098 10 HD2 ARG 1 1HD ARG 1 -16.488 1.730 4.998 11 HD3 ARG 1 2HD ARG 1 -17.666 2.704 4.140 12 HH11 ARG 1 1HH1 ARG 1 -16.118 -0.389 5.029 13 HH12 ARG 1 2HH1 ARG 1 -16.754 -1.859 5.688 14 HH21 ARG 1 1HH2 ARG 1 -20.114 -0.774 5.489 15 HH22 ARG 1 2HH2 ARG 1 -19.123 -2.094 5.964 16 H TRP 2 H TRP 2 -13.680 1.309 -0.192 17 HA TRP 2 HA TRP 2 -13.814 -1.393 0.842 18 HD1 TRP 2 HD1 TRP 2 -11.566 -2.857 -2.601 19 HE1 TRP 2 HE1 TRP 2 -10.348 -1.572 -4.557 20 HE3 TRP 2 HE3 TRP 2 -14.414 1.346 -2.319 21 HZ2 TRP 2 HZ2 TRP 2 -10.703 1.000 -5.740 22 HZ3 TRP 2 HZ3 TRP 2 -13.912 3.197 -3.911 23 HH2 TRP 2 HH2 TRP 2 -12.130 3.073 -5.580 24 HB2 TRP 2 1HB TRP 2 -13.712 -2.552 -1.105 25 HB3 TRP 2 2HB TRP 2 -14.783 -1.249 -1.580 26 H CYS 3 H CYS 3 -11.598 -2.393 0.777 27 HA CYS 3 HA CYS 3 -9.526 -0.354 0.440 28 HB2 CYS 3 1HB CYS 3 -9.707 -2.326 2.727 29 HB3 CYS 3 2HB CYS 3 -8.379 -1.224 2.426 30 H VAL 4 H VAL 4 -7.382 -1.308 -0.088 31 HA VAL 4 HA VAL 4 -7.352 -4.132 -0.702 32 HB VAL 4 HB VAL 4 -6.784 -3.822 -3.028 33 HG11 VAL 4 1HG1 VAL 4 -9.369 -2.386 -2.332 34 HG12 VAL 4 2HG1 VAL 4 -8.973 -3.133 -3.898 35 HG13 VAL 4 3HG1 VAL 4 -9.150 -4.148 -2.447 36 HG21 VAL 4 3HG2 VAL 4 -5.811 -1.484 -2.651 37 HG22 VAL 4 1HG2 VAL 4 -6.719 -1.748 -4.158 38 HG23 VAL 4 2HG2 VAL 4 -7.481 -0.886 -2.799 39 H TYR 5 H TYR 5 -5.146 -4.898 -1.156 40 HA TYR 5 HA TYR 5 -3.227 -3.244 0.259 41 HD1 TYR 5 HD1 TYR 5 -4.679 -4.589 1.832 42 HD2 TYR 5 HD2 TYR 5 -3.785 -7.951 -0.659 43 HE1 TYR 5 HE1 TYR 5 -6.553 -5.910 2.930 44 HE2 TYR 5 HE2 TYR 5 -5.662 -9.261 0.448 45 HH TYR 5 HH TYR 5 -7.301 -9.213 1.853 46 HB2 TYR 5 1HB TYR 5 -2.667 -5.938 -1.031 47 HB3 TYR 5 2HB TYR 5 -2.146 -5.363 0.540 48 H ALA 6 H ALA 6 -1.317 -2.416 -0.610 49 HA ALA 6 HA ALA 6 -0.658 -3.058 -3.352 50 HB1 ALA 6 3HB ALA 6 -2.071 -0.607 -2.546 51 HB2 ALA 6 1HB ALA 6 -0.545 -0.283 -3.404 52 HB3 ALA 6 2HB ALA 6 -1.800 -1.287 -4.169 53 H TYR 7 H TYR 7 1.487 -2.024 -3.953 54 HA TYR 7 HA TYR 7 3.092 -1.689 -1.509 55 HD1 TYR 7 HD2 TYR 7 3.536 -4.211 -0.950 56 HD2 TYR 7 HD1 TYR 7 2.849 -4.463 -5.165 57 HE1 TYR 7 HE2 TYR 7 2.541 -6.532 -0.656 58 HE2 TYR 7 HE1 TYR 7 1.857 -6.784 -4.857 59 HH TYR 7 HH TYR 7 0.726 -8.025 -3.005 60 HB2 TYR 7 1HB TYR 7 3.937 -2.598 -4.321 61 HB3 TYR 7 2HB TYR 7 4.856 -2.800 -2.843 62 H VAL 8 H VAL 8 4.953 -0.228 -1.657 63 HA VAL 8 HA VAL 8 4.849 1.632 -3.899 64 HB VAL 8 HB VAL 8 3.525 2.902 -2.561 65 HG11 VAL 8 1HG1 VAL 8 3.418 1.231 -0.728 66 HG12 VAL 8 2HG1 VAL 8 4.943 1.879 -0.077 67 HG13 VAL 8 3HG1 VAL 8 3.490 2.906 -0.130 68 HG21 VAL 8 3HG2 VAL 8 6.320 3.525 -1.552 69 HG22 VAL 8 1HG2 VAL 8 5.498 4.235 -2.962 70 HG23 VAL 8 2HG2 VAL 8 4.903 4.577 -1.320 71 H ARG 9 H ARG 9 6.844 2.926 -4.082 72 HA ARG 9 HA ARG 9 9.039 1.381 -3.021 73 HE ARG 9 HE ARG 9 10.657 3.720 -7.762 74 HB2 ARG 9 1HB ARG 9 9.414 1.643 -5.317 75 HB3 ARG 9 2HB ARG 9 8.629 3.209 -5.378 76 HG2 ARG 9 1HG ARG 9 10.539 4.358 -4.598 77 HG3 ARG 9 2HG ARG 9 11.203 2.939 -3.813 78 HD2 ARG 9 1HD ARG 9 12.579 3.006 -5.688 79 HD3 ARG 9 2HD ARG 9 11.299 1.989 -6.318 80 HH11 ARG 9 1HH1 ARG 9 12.748 5.054 -5.232 81 HH12 ARG 9 2HH1 ARG 9 12.867 6.612 -5.979 82 HH21 ARG 9 1HH2 ARG 9 10.812 5.720 -8.716 83 HH22 ARG 9 2HH2 ARG 9 11.722 7.013 -8.045 84 H ILE 10 H ILE 10 9.843 2.116 -1.073 85 HA ILE 10 HA ILE 10 10.292 4.997 -0.845 86 HB ILE 10 HB ILE 10 8.817 3.221 1.075 87 HG12 ILE 10 1HG1 ILE 10 7.971 5.056 -0.810 88 HG13 ILE 10 2HG1 ILE 10 7.033 4.445 0.538 89 HG21 ILE 10 1HG2 ILE 10 10.085 5.884 1.768 90 HG22 ILE 10 2HG2 ILE 10 9.074 4.869 2.823 91 HG23 ILE 10 3HG2 ILE 10 10.677 4.294 2.306 92 HD11 ILE 10 3HD1 ILE 10 7.005 6.906 0.543 93 HD12 ILE 10 1HD1 ILE 10 7.886 6.314 1.972 94 HD13 ILE 10 2HD1 ILE 10 8.784 6.947 0.572 95 H ARG 11 H ARG 11 12.293 5.527 -0.043 96 HA ARG 11 HA ARG 11 14.328 5.287 0.639 97 HE ARG 11 HE ARG 11 13.855 5.198 5.640 98 HB2 ARG 11 1HB ARG 11 12.931 3.180 2.267 99 HB3 ARG 11 2HB ARG 11 14.680 3.089 2.227 100 HG2 ARG 11 1HG ARG 11 13.946 5.857 2.609 101 HG3 ARG 11 2HG ARG 11 13.023 4.894 3.746 102 HD2 ARG 11 1HD ARG 11 15.560 3.738 3.916 103 HD3 ARG 11 2HD ARG 11 15.940 5.431 3.666 104 HH11 ARG 11 1HH1 ARG 11 17.337 4.674 5.243 105 HH12 ARG 11 2HH1 ARG 11 17.690 4.914 6.922 106 HH21 ARG 11 1HH2 ARG 11 14.313 5.504 7.793 107 HH22 ARG 11 2HH2 ARG 11 15.902 5.407 8.439 108 H GLY 12 H GLY 12 13.586 4.130 -1.903 109 HA3 GLY 12 2HA GLY 12 15.882 2.649 -2.522 110 H VAL 13 H VAL 13 12.842 1.698 -1.070 111 HA VAL 13 HA VAL 13 13.362 -1.094 -1.809 112 HB VAL 13 HB VAL 13 12.491 -0.258 0.945 113 HG11 VAL 13 1HG1 VAL 13 13.706 -2.756 -0.265 114 HG12 VAL 13 2HG1 VAL 13 13.605 -2.479 1.491 115 HG13 VAL 13 3HG1 VAL 13 12.118 -2.566 0.517 116 HG21 VAL 13 3HG2 VAL 13 14.487 0.722 1.259 117 HG22 VAL 13 1HG2 VAL 13 15.156 -0.927 1.224 118 HG23 VAL 13 2HG2 VAL 13 15.151 0.062 -0.256 119 H LEU 14 H LEU 14 11.410 -2.503 -1.510 120 HA LEU 14 HA LEU 14 9.039 -0.939 -2.195 121 HG LEU 14 HG LEU 14 7.369 -3.686 -3.589 122 HB2 LEU 14 1HB LEU 14 10.107 -2.867 -3.606 123 HB3 LEU 14 2HB LEU 14 9.272 -3.912 -2.473 124 HD11 LEU 14 1HD1 LEU 14 7.027 -1.624 -2.214 125 HD12 LEU 14 2HD1 LEU 14 7.649 -0.671 -3.583 126 HD13 LEU 14 3HD1 LEU 14 6.161 -1.630 -3.769 127 HD21 LEU 14 3HD2 LEU 14 8.938 -1.883 -5.452 128 HD22 LEU 14 1HD2 LEU 14 8.793 -3.654 -5.553 129 HD23 LEU 14 2HD2 LEU 14 7.363 -2.627 -5.815 130 H VAL 15 H VAL 15 7.644 -0.493 -0.584 131 HA VAL 15 HA VAL 15 7.501 -2.444 1.609 132 HB VAL 15 HB VAL 15 6.539 0.361 1.901 133 HG11 VAL 15 1HG1 VAL 15 6.599 -0.120 4.092 134 HG12 VAL 15 2HG1 VAL 15 6.802 -1.814 3.587 135 HG13 VAL 15 3HG1 VAL 15 8.229 -0.827 3.983 136 HG21 VAL 15 3HG2 VAL 15 9.395 -0.428 1.471 137 HG22 VAL 15 1HG2 VAL 15 8.540 1.068 1.026 138 HG23 VAL 15 2HG2 VAL 15 9.030 0.792 2.715 139 H ARG 16 H ARG 16 5.461 -3.177 2.291 140 HA ARG 16 HA ARG 16 3.406 -2.679 0.320 141 HE ARG 16 HE ARG 16 5.639 -7.093 2.595 142 HB2 ARG 16 1HB ARG 16 3.083 -4.706 2.536 143 HB3 ARG 16 2HB ARG 16 2.520 -4.789 0.879 144 HG2 ARG 16 1HG ARG 16 5.009 -4.927 0.184 145 HG3 ARG 16 2HG ARG 16 5.373 -5.168 1.882 146 HD2 ARG 16 1HD ARG 16 3.208 -6.950 1.204 147 HD3 ARG 16 2HD ARG 16 4.431 -7.112 -0.041 148 HH11 ARG 16 1HH1 ARG 16 3.888 -9.175 0.325 149 HH12 ARG 16 2HH1 ARG 16 4.543 -10.642 0.972 150 HH21 ARG 16 1HH2 ARG 16 6.476 -8.978 3.423 151 HH22 ARG 16 2HH2 ARG 16 6.078 -10.532 2.810 152 H TYR 17 H TYR 17 1.287 -1.934 0.915 153 HA TYR 17 HA TYR 17 0.781 -1.388 3.718 154 HD1 TYR 17 HD2 TYR 17 2.067 -0.325 0.109 155 HD2 TYR 17 HD1 TYR 17 -0.775 2.372 1.828 156 HE1 TYR 17 HE2 TYR 17 1.509 0.572 -2.203 157 HE2 TYR 17 HE1 TYR 17 -1.324 3.260 -0.491 158 HH TYR 17 HH TYR 17 0.397 3.174 -2.904 159 HB2 TYR 17 1HB TYR 17 0.475 1.026 3.237 160 HB3 TYR 17 2HB TYR 17 2.075 0.576 2.681 161 H ARG 18 H ARG 18 -1.499 -0.418 3.976 162 HA ARG 18 HA ARG 18 -3.158 -1.724 1.985 163 HE ARG 18 HE ARG 18 -5.660 -2.247 6.202 164 HB2 ARG 18 1HB ARG 18 -4.049 -0.775 4.744 165 HB3 ARG 18 2HB ARG 18 -4.848 -1.942 3.710 166 HG2 ARG 18 1HG ARG 18 -3.062 -3.572 4.030 167 HG3 ARG 18 2HG ARG 18 -2.047 -2.389 4.833 168 HD2 ARG 18 1HD ARG 18 -3.350 -4.073 6.334 169 HD3 ARG 18 2HD ARG 18 -3.375 -2.385 6.803 170 HH11 ARG 18 1HH1 ARG 18 -4.311 -5.355 5.164 171 HH12 ARG 18 2HH1 ARG 18 -5.858 -6.047 4.805 172 HH21 ARG 18 1HH2 ARG 18 -7.642 -3.138 5.739 173 HH22 ARG 18 2HH2 ARG 18 -7.837 -4.738 5.143 174 H ARG 19 H ARG 19 -4.811 -0.560 0.902 175 HA ARG 19 HA ARG 19 -4.833 2.286 1.521 176 HE ARG 19 HE ARG 19 -5.450 4.570 -1.435 177 HB2 ARG 19 1HB ARG 19 -4.935 0.782 -1.113 178 HB3 ARG 19 2HB ARG 19 -5.671 2.369 -1.010 179 HG2 ARG 19 1HG ARG 19 -3.178 2.723 0.243 180 HG3 ARG 19 2HG ARG 19 -2.816 1.634 -1.081 181 HD2 ARG 19 1HD ARG 19 -2.589 3.951 -1.862 182 HD3 ARG 19 2HD ARG 19 -3.949 3.206 -2.677 183 HH11 ARG 19 1HH1 ARG 19 -2.118 5.030 -0.321 184 HH12 ARG 19 2HH1 ARG 19 -2.487 6.457 0.589 185 HH21 ARG 19 1HH2 ARG 19 -5.919 6.401 -0.266 186 HH22 ARG 19 2HH2 ARG 19 -4.740 7.275 0.625 187 H CYS 20 H CYS 20 -6.976 3.398 0.895 188 HA CYS 20 HA CYS 20 -9.226 1.561 0.886 189 HB2 CYS 20 1HB CYS 20 -8.736 3.650 3.008 190 HB3 CYS 20 2HB CYS 20 -10.334 3.026 2.651 191 H TRP 21 H TRP 21 -11.238 2.693 0.164 192 HA TRP 21 HA TRP 21 -10.669 4.562 -1.876 193 HD1 TRP 21 1HD TRP 21 -15.337 4.646 -2.289 194 HE1 TRP 21 HE1 TRP 21 -16.973 5.312 -0.329 195 HE3 TRP 21 HE3 TRP 21 -11.997 3.869 1.465 196 HZ2 TRP 21 HZ2 TRP 21 -16.693 5.436 2.508 197 HZ3 TRP 21 HZ3 TRP 21 -12.759 4.286 3.802 198 HH2 TRP 21 2HH TRP 21 -15.017 5.043 4.351 199 HB2 TRP 21 1HB TRP 21 -12.757 4.147 -2.587 200 HB3 TRP 21 2HB TRP 21 -12.589 2.757 -1.533 Start of MODEL 15 1 HA ARG 1 HA ARG 1 -15.951 1.993 0.065 2 HE ARG 1 HE ARG 1 -16.235 0.881 5.384 3 H1 ARG 1 1H ARG 1 -18.235 1.964 -0.240 4 H2 ARG 1 2H ARG 1 -17.483 0.936 -1.296 5 H3 ARG 1 3H ARG 1 -18.305 0.327 0.003 6 HB2 ARG 1 1HB ARG 1 -15.982 1.856 2.452 7 HB3 ARG 1 2HB ARG 1 -17.653 2.161 2.018 8 HG2 ARG 1 1HG ARG 1 -18.013 -0.387 2.061 9 HG3 ARG 1 2HG ARG 1 -16.410 -0.525 2.757 10 HD2 ARG 1 1HD ARG 1 -18.144 1.485 4.107 11 HD3 ARG 1 2HD ARG 1 -18.742 -0.158 4.214 12 HH11 ARG 1 1HH1 ARG 1 -18.175 -1.982 4.609 13 HH12 ARG 1 2HH1 ARG 1 -17.349 -3.000 5.741 14 HH21 ARG 1 1HH2 ARG 1 -15.179 -0.430 6.834 15 HH22 ARG 1 2HH2 ARG 1 -15.572 -2.086 7.064 16 H TRP 2 H TRP 2 -14.056 0.857 -0.271 17 HA TRP 2 HA TRP 2 -13.917 -1.915 0.555 18 HD1 TRP 2 HD1 TRP 2 -11.500 -2.895 -2.985 19 HE1 TRP 2 HE1 TRP 2 -10.363 -1.323 -4.774 20 HE3 TRP 2 HE3 TRP 2 -14.659 1.033 -2.313 21 HZ2 TRP 2 HZ2 TRP 2 -10.900 1.327 -5.687 22 HZ3 TRP 2 HZ3 TRP 2 -14.283 3.075 -3.693 23 HH2 TRP 2 HH2 TRP 2 -12.481 3.260 -5.334 24 HB2 TRP 2 1HB TRP 2 -13.641 -2.902 -1.469 25 HB3 TRP 2 2HB TRP 2 -14.838 -1.690 -1.880 26 H CYS 3 H CYS 3 -11.611 -2.659 0.515 27 HA CYS 3 HA CYS 3 -9.766 -0.389 0.392 28 HB2 CYS 3 1HB CYS 3 -9.700 -2.563 2.492 29 HB3 CYS 3 2HB CYS 3 -8.601 -1.205 2.351 30 H VAL 4 H VAL 4 -7.531 -1.042 -0.170 31 HA VAL 4 HA VAL 4 -7.161 -3.793 -0.985 32 HB VAL 4 HB VAL 4 -6.651 -3.292 -3.262 33 HG11 VAL 4 1HG1 VAL 4 -9.044 -3.694 -2.612 34 HG12 VAL 4 2HG1 VAL 4 -9.289 -1.931 -2.635 35 HG13 VAL 4 3HG1 VAL 4 -8.834 -2.786 -4.129 36 HG21 VAL 4 3HG2 VAL 4 -7.477 -0.410 -2.864 37 HG22 VAL 4 1HG2 VAL 4 -5.784 -0.943 -2.721 38 HG23 VAL 4 2HG2 VAL 4 -6.656 -1.152 -4.259 39 H TYR 5 H TYR 5 -4.902 -4.317 -1.293 40 HA TYR 5 HA TYR 5 -3.185 -2.383 0.071 41 HD1 TYR 5 HD2 TYR 5 -4.366 -3.621 2.037 42 HD2 TYR 5 HD1 TYR 5 -3.679 -7.109 -0.343 43 HE1 TYR 5 HE2 TYR 5 -6.201 -4.851 3.296 44 HE2 TYR 5 HE1 TYR 5 -5.517 -8.326 0.923 45 HH TYR 5 HH TYR 5 -7.789 -7.137 2.382 46 HB2 TYR 5 1HB TYR 5 -2.433 -5.208 -0.773 47 HB3 TYR 5 2HB TYR 5 -1.983 -4.367 0.696 48 H ALA 6 H ALA 6 -1.101 -1.811 -0.762 49 HA ALA 6 HA ALA 6 -0.458 -2.682 -3.445 50 HB1 ALA 6 3HB ALA 6 -1.448 0.069 -2.736 51 HB2 ALA 6 1HB ALA 6 -0.168 -0.095 -3.962 52 HB3 ALA 6 2HB ALA 6 -1.737 -0.901 -4.200 53 H TYR 7 H TYR 7 1.762 -1.919 -4.071 54 HA TYR 7 HA TYR 7 3.365 -1.533 -1.636 55 HD1 TYR 7 HD2 TYR 7 3.357 -3.953 -1.011 56 HD2 TYR 7 HD1 TYR 7 3.240 -4.497 -5.253 57 HE1 TYR 7 HE2 TYR 7 2.199 -6.194 -0.698 58 HE2 TYR 7 HE1 TYR 7 2.082 -6.737 -4.926 59 HH TYR 7 HH TYR 7 0.741 -7.655 -1.961 60 HB2 TYR 7 1HB TYR 7 4.191 -2.567 -4.409 61 HB3 TYR 7 2HB TYR 7 5.059 -2.801 -2.905 62 H VAL 8 H VAL 8 5.078 -0.012 -1.639 63 HA VAL 8 HA VAL 8 5.200 1.713 -4.004 64 HB VAL 8 HB VAL 8 3.775 2.926 -2.608 65 HG11 VAL 8 1HG1 VAL 8 3.552 2.273 -0.481 66 HG12 VAL 8 2HG1 VAL 8 5.173 1.538 -0.463 67 HG13 VAL 8 3HG1 VAL 8 4.979 3.271 -0.110 68 HG21 VAL 8 3HG2 VAL 8 6.045 4.024 -3.378 69 HG22 VAL 8 1HG2 VAL 8 4.928 4.903 -2.307 70 HG23 VAL 8 2HG2 VAL 8 6.361 4.095 -1.628 71 H ARG 9 H ARG 9 7.263 2.598 -4.428 72 HA ARG 9 HA ARG 9 9.345 1.150 -3.086 73 HE ARG 9 HE ARG 9 12.320 1.362 -4.967 74 HB2 ARG 9 1HB ARG 9 9.067 2.699 -5.647 75 HB3 ARG 9 2HB ARG 9 10.668 2.667 -4.938 76 HG2 ARG 9 1HG ARG 9 10.175 0.047 -4.713 77 HG3 ARG 9 2HG ARG 9 9.009 0.365 -5.981 78 HD2 ARG 9 1HD ARG 9 11.155 -0.288 -6.993 79 HD3 ARG 9 2HD ARG 9 10.814 1.385 -7.388 80 HH11 ARG 9 1HH1 ARG 9 12.766 0.583 -8.395 81 HH12 ARG 9 2HH1 ARG 9 14.465 0.919 -8.378 82 HH21 ARG 9 1HH2 ARG 9 14.499 1.792 -4.950 83 HH22 ARG 9 2HH2 ARG 9 15.499 1.637 -6.339 84 H ILE 10 H ILE 10 10.229 2.047 -1.248 85 HA ILE 10 HA ILE 10 10.869 4.890 -1.333 86 HB ILE 10 HB ILE 10 9.053 3.535 0.612 87 HG12 ILE 10 1HG1 ILE 10 8.720 5.423 -1.393 88 HG13 ILE 10 2HG1 ILE 10 7.572 5.021 -0.131 89 HG21 ILE 10 1HG2 ILE 10 9.475 5.284 2.279 90 HG22 ILE 10 2HG2 ILE 10 10.911 4.269 2.008 91 HG23 ILE 10 3HG2 ILE 10 10.825 5.898 1.295 92 HD11 ILE 10 3HD1 ILE 10 9.753 7.144 0.122 93 HD12 ILE 10 1HD1 ILE 10 8.039 7.472 -0.230 94 HD13 ILE 10 2HD1 ILE 10 8.508 6.772 1.338 95 H ARG 11 H ARG 11 12.862 5.353 -0.460 96 HA ARG 11 HA ARG 11 14.824 5.032 0.384 97 HE ARG 11 HE ARG 11 11.091 5.128 4.496 98 HB2 ARG 11 1HB ARG 11 13.364 2.938 2.058 99 HB3 ARG 11 2HB ARG 11 15.067 3.280 2.292 100 HG2 ARG 11 1HG ARG 11 14.663 5.488 3.047 101 HG3 ARG 11 2HG ARG 11 13.095 5.578 2.269 102 HD2 ARG 11 1HD ARG 11 12.657 3.481 3.995 103 HD3 ARG 11 2HD ARG 11 13.835 4.395 4.915 104 HH11 ARG 11 1HH1 ARG 11 14.312 6.597 4.645 105 HH12 ARG 11 2HH1 ARG 11 13.719 8.142 5.159 106 HH21 ARG 11 1HH2 ARG 11 10.336 7.111 5.156 107 HH22 ARG 11 2HH2 ARG 11 11.363 8.453 5.464 108 H GLY 12 H GLY 12 14.104 3.662 -2.070 109 HA3 GLY 12 2HA GLY 12 16.308 1.953 -2.392 110 H VAL 13 H VAL 13 13.184 1.407 -0.967 111 HA VAL 13 HA VAL 13 13.479 -1.480 -1.423 112 HB VAL 13 HB VAL 13 12.462 -0.357 1.162 113 HG11 VAL 13 1HG1 VAL 13 12.177 -2.578 1.406 114 HG12 VAL 13 2HG1 VAL 13 13.296 -2.968 0.077 115 HG13 VAL 13 3HG1 VAL 13 13.932 -2.611 1.701 116 HG21 VAL 13 3HG2 VAL 13 14.436 0.691 1.479 117 HG22 VAL 13 1HG2 VAL 13 15.059 -0.950 1.773 118 HG23 VAL 13 2HG2 VAL 13 15.240 -0.205 0.167 119 H LEU 14 H LEU 14 11.387 -2.689 -1.056 120 HA LEU 14 HA LEU 14 9.176 -0.992 -1.971 121 HG LEU 14 HG LEU 14 7.475 -3.611 -3.602 122 HB2 LEU 14 1HB LEU 14 10.221 -3.006 -3.315 123 HB3 LEU 14 2HB LEU 14 9.202 -3.965 -2.260 124 HD11 LEU 14 1HD1 LEU 14 7.838 -0.617 -3.364 125 HD12 LEU 14 2HD1 LEU 14 6.342 -1.523 -3.696 126 HD13 LEU 14 3HD1 LEU 14 7.109 -1.628 -2.093 127 HD21 LEU 14 3HD2 LEU 14 7.740 -2.752 -5.759 128 HD22 LEU 14 1HD2 LEU 14 8.958 -1.562 -5.241 129 HD23 LEU 14 2HD2 LEU 14 9.373 -3.292 -5.302 130 H VAL 15 H VAL 15 7.699 -0.497 -0.451 131 HA VAL 15 HA VAL 15 7.330 -2.457 1.709 132 HB VAL 15 HB VAL 15 6.579 0.410 2.024 133 HG11 VAL 15 1HG1 VAL 15 7.448 -0.081 4.352 134 HG12 VAL 15 2HG1 VAL 15 6.036 -1.037 3.842 135 HG13 VAL 15 3HG1 VAL 15 7.658 -1.770 3.833 136 HG21 VAL 15 3HG2 VAL 15 9.427 -0.619 1.980 137 HG22 VAL 15 1HG2 VAL 15 8.734 0.764 1.099 138 HG23 VAL 15 2HG2 VAL 15 8.946 0.848 2.865 139 H ARG 16 H ARG 16 5.203 -3.023 2.293 140 HA ARG 16 HA ARG 16 3.304 -2.382 0.218 141 HE ARG 16 HE ARG 16 4.151 -7.467 2.975 142 HB2 ARG 16 1HB ARG 16 2.679 -4.296 2.472 143 HB3 ARG 16 2HB ARG 16 2.199 -4.385 0.789 144 HG2 ARG 16 1HG ARG 16 4.680 -4.786 0.223 145 HG3 ARG 16 2HG ARG 16 4.964 -4.958 1.944 146 HD2 ARG 16 1HD ARG 16 2.689 -6.597 1.317 147 HD3 ARG 16 2HD ARG 16 3.893 -6.913 0.083 148 HH11 ARG 16 1HH1 ARG 16 5.792 -7.276 -0.159 149 HH12 ARG 16 2HH1 ARG 16 7.128 -8.259 0.340 150 HH21 ARG 16 1HH2 ARG 16 5.866 -8.727 3.612 151 HH22 ARG 16 2HH2 ARG 16 7.178 -9.122 2.575 152 H TYR 17 H TYR 17 1.080 -1.689 0.772 153 HA TYR 17 HA TYR 17 0.641 -0.817 3.502 154 HD1 TYR 17 HD1 TYR 17 2.554 0.606 -0.016 155 HD2 TYR 17 HD2 TYR 17 -1.443 1.811 0.920 156 HE1 TYR 17 HE1 TYR 17 2.138 1.154 -2.463 157 HE2 TYR 17 HE2 TYR 17 -1.846 2.354 -1.531 158 HH TYR 17 HH TYR 17 -1.070 2.122 -3.574 159 HB2 TYR 17 1HB TYR 17 0.227 1.522 2.682 160 HB3 TYR 17 2HB TYR 17 1.870 1.046 2.301 161 H ARG 18 H ARG 18 -1.620 -0.165 3.882 162 HA ARG 18 HA ARG 18 -3.326 -1.340 1.838 163 HE ARG 18 HE ARG 18 -4.343 -2.243 6.297 164 HB2 ARG 18 1HB ARG 18 -3.928 -1.018 4.820 165 HB3 ARG 18 2HB ARG 18 -4.904 -1.893 3.657 166 HG2 ARG 18 1HG ARG 18 -2.780 -3.341 3.222 167 HG3 ARG 18 2HG ARG 18 -2.131 -2.618 4.681 168 HD2 ARG 18 1HD ARG 18 -4.511 -4.466 4.382 169 HD3 ARG 18 2HD ARG 18 -3.160 -4.588 5.492 170 HH11 ARG 18 1HH1 ARG 18 -5.651 -5.481 5.700 171 HH12 ARG 18 2HH1 ARG 18 -6.928 -5.314 6.859 172 HH21 ARG 18 1HH2 ARG 18 -5.981 -2.034 7.783 173 HH22 ARG 18 2HH2 ARG 18 -7.129 -3.273 8.098 174 H ARG 19 H ARG 19 -5.061 -0.106 1.033 175 HA ARG 19 HA ARG 19 -5.400 2.488 2.310 176 HE ARG 19 HE ARG 19 -5.577 5.180 0.388 177 HB2 ARG 19 1HB ARG 19 -5.228 1.771 -0.645 178 HB3 ARG 19 2HB ARG 19 -6.032 3.241 -0.130 179 HG2 ARG 19 1HG ARG 19 -3.740 3.513 1.302 180 HG3 ARG 19 2HG ARG 19 -3.115 2.522 -0.001 181 HD2 ARG 19 1HD ARG 19 -2.836 4.848 -0.653 182 HD3 ARG 19 2HD ARG 19 -4.096 4.167 -1.664 183 HH11 ARG 19 1HH1 ARG 19 -2.949 6.621 -1.500 184 HH12 ARG 19 2HH1 ARG 19 -3.541 8.239 -1.321 185 HH21 ARG 19 1HH2 ARG 19 -6.333 7.256 0.616 186 HH22 ARG 19 2HH2 ARG 19 -5.547 8.623 -0.068 187 H CYS 20 H CYS 20 -7.622 3.491 1.821 188 HA CYS 20 HA CYS 20 -9.602 1.413 1.266 189 HB2 CYS 20 1HB CYS 20 -9.529 3.300 3.614 190 HB3 CYS 20 2HB CYS 20 -11.031 2.603 3.039 191 H TRP 21 H TRP 21 -11.714 2.384 0.522 192 HA TRP 21 HA TRP 21 -11.237 4.453 -1.338 193 HD1 TRP 21 1HD TRP 21 -15.842 4.184 -2.028 194 HE1 TRP 21 HE1 TRP 21 -17.647 4.520 -0.133 195 HE3 TRP 21 HE3 TRP 21 -12.689 3.291 1.861 196 HZ2 TRP 21 HZ2 TRP 21 -17.556 4.378 2.716 197 HZ3 TRP 21 HZ3 TRP 21 -13.628 3.410 4.167 198 HH2 TRP 21 2HH TRP 21 -15.971 3.931 4.626 199 HB2 TRP 21 1HB TRP 21 -13.229 3.885 -2.201 200 HB3 TRP 21 2HB TRP 21 -12.979 2.446 -1.232 Start of MODEL 16 1 HA ARG 1 HA ARG 1 -15.652 1.880 1.059 2 HE ARG 1 HE ARG 1 -19.458 -3.081 0.699 3 H1 ARG 1 1H ARG 1 -16.957 2.409 -0.765 4 H2 ARG 1 2H ARG 1 -15.531 1.716 -1.237 5 H3 ARG 1 3H ARG 1 -16.935 0.844 -1.308 6 HB2 ARG 1 1HB ARG 1 -17.354 0.545 2.321 7 HB3 ARG 1 2HB ARG 1 -18.104 1.779 1.330 8 HG2 ARG 1 1HG ARG 1 -19.149 0.246 -0.015 9 HG3 ARG 1 2HG ARG 1 -17.732 -0.780 -0.111 10 HD2 ARG 1 1HD ARG 1 -18.216 -1.704 2.148 11 HD3 ARG 1 2HD ARG 1 -19.595 -0.635 2.309 12 HH11 ARG 1 1HH1 ARG 1 -21.168 -0.012 1.161 13 HH12 ARG 1 2HH1 ARG 1 -22.614 -0.559 0.380 14 HH21 ARG 1 1HH2 ARG 1 -21.316 -3.778 -0.301 15 HH22 ARG 1 2HH2 ARG 1 -22.709 -2.790 -0.489 16 H TRP 2 H TRP 2 -13.795 0.720 -0.298 17 HA TRP 2 HA TRP 2 -13.576 -1.952 0.811 18 HD1 TRP 2 HD1 TRP 2 -11.274 -3.244 -2.706 19 HE1 TRP 2 HE1 TRP 2 -10.217 -1.838 -4.674 20 HE3 TRP 2 HE3 TRP 2 -14.449 0.706 -2.291 21 HZ2 TRP 2 HZ2 TRP 2 -10.814 0.711 -5.810 22 HZ3 TRP 2 HZ3 TRP 2 -14.144 2.612 -3.868 23 HH2 TRP 2 HH2 TRP 2 -12.402 2.657 -5.583 24 HB2 TRP 2 1HB TRP 2 -13.358 -3.124 -1.119 25 HB3 TRP 2 2HB TRP 2 -14.584 -1.968 -1.600 26 H CYS 3 H CYS 3 -11.257 -2.675 0.740 27 HA CYS 3 HA CYS 3 -9.454 -0.403 0.346 28 HB2 CYS 3 1HB CYS 3 -9.088 -2.384 2.583 29 HB3 CYS 3 2HB CYS 3 -8.284 -0.847 2.340 30 H VAL 4 H VAL 4 -7.282 -1.042 -0.341 31 HA VAL 4 HA VAL 4 -6.934 -3.870 -0.942 32 HB VAL 4 HB VAL 4 -6.398 -3.464 -3.239 33 HG11 VAL 4 1HG1 VAL 4 -8.773 -3.867 -2.648 34 HG12 VAL 4 2HG1 VAL 4 -9.039 -2.108 -2.599 35 HG13 VAL 4 3HG1 VAL 4 -8.588 -2.898 -4.129 36 HG21 VAL 4 3HG2 VAL 4 -5.532 -1.088 -2.767 37 HG22 VAL 4 1HG2 VAL 4 -6.367 -1.370 -4.313 38 HG23 VAL 4 2HG2 VAL 4 -7.221 -0.568 -2.973 39 H TYR 5 H TYR 5 -4.669 -4.434 -1.322 40 HA TYR 5 HA TYR 5 -2.922 -2.573 0.087 41 HD1 TYR 5 HD2 TYR 5 -4.569 -3.794 1.411 42 HD2 TYR 5 HD1 TYR 5 -2.901 -7.430 -0.106 43 HE1 TYR 5 HE2 TYR 5 -6.377 -5.128 2.600 44 HE2 TYR 5 HE1 TYR 5 -4.716 -8.752 1.088 45 HH TYR 5 HH TYR 5 -7.428 -7.168 2.556 46 HB2 TYR 5 1HB TYR 5 -2.169 -5.323 -0.972 47 HB3 TYR 5 2HB TYR 5 -1.705 -4.590 0.550 48 H ALA 6 H ALA 6 -0.885 -1.890 -0.747 49 HA ALA 6 HA ALA 6 -0.260 -2.585 -3.486 50 HB1 ALA 6 3HB ALA 6 -0.026 0.107 -3.719 51 HB2 ALA 6 1HB ALA 6 -1.478 -0.794 -4.218 52 HB3 ALA 6 2HB ALA 6 -1.434 0.019 -2.635 53 H TYR 7 H TYR 7 1.921 -1.636 -4.104 54 HA TYR 7 HA TYR 7 3.593 -1.614 -1.702 55 HD1 TYR 7 HD2 TYR 7 5.234 -3.559 -1.503 56 HD2 TYR 7 HD1 TYR 7 3.132 -4.220 -5.171 57 HE1 TYR 7 HE2 TYR 7 5.063 -6.038 -0.967 58 HE2 TYR 7 HE1 TYR 7 2.969 -6.697 -4.622 59 HH TYR 7 HH TYR 7 3.451 -8.264 -3.224 60 HB2 TYR 7 1HB TYR 7 3.953 -2.096 -4.717 61 HB3 TYR 7 2HB TYR 7 5.340 -1.957 -3.656 62 H VAL 8 H VAL 8 5.164 0.007 -1.330 63 HA VAL 8 HA VAL 8 4.937 2.342 -3.096 64 HB VAL 8 HB VAL 8 3.650 2.872 -1.190 65 HG11 VAL 8 1HG1 VAL 8 3.911 1.693 0.687 66 HG12 VAL 8 2HG1 VAL 8 5.535 1.157 0.194 67 HG13 VAL 8 3HG1 VAL 8 5.331 2.702 1.054 68 HG21 VAL 8 3HG2 VAL 8 4.961 4.742 -1.782 69 HG22 VAL 8 1HG2 VAL 8 5.125 4.611 -0.014 70 HG23 VAL 8 2HG2 VAL 8 6.437 4.042 -1.074 71 H ARG 9 H ARG 9 6.857 2.622 -4.100 72 HA ARG 9 HA ARG 9 9.158 1.356 -3.152 73 HE ARG 9 HE ARG 9 10.503 2.781 -7.646 74 HB2 ARG 9 1HB ARG 9 8.433 2.226 -5.579 75 HB3 ARG 9 2HB ARG 9 9.277 3.682 -5.091 76 HG2 ARG 9 1HG ARG 9 10.954 1.465 -4.365 77 HG3 ARG 9 2HG ARG 9 10.392 1.163 -5.997 78 HD2 ARG 9 1HD ARG 9 11.496 3.886 -5.196 79 HD3 ARG 9 2HD ARG 9 12.563 2.588 -5.693 80 HH11 ARG 9 1HH1 ARG 9 13.216 4.722 -6.452 81 HH12 ARG 9 2HH1 ARG 9 13.458 5.538 -7.960 82 HH21 ARG 9 1HH2 ARG 9 10.817 3.830 -9.579 83 HH22 ARG 9 2HH2 ARG 9 12.040 5.013 -9.819 84 H ILE 10 H ILE 10 9.827 2.068 -1.089 85 HA ILE 10 HA ILE 10 10.618 4.891 -0.972 86 HB ILE 10 HB ILE 10 9.081 3.262 1.024 87 HG12 ILE 10 1HG1 ILE 10 8.331 5.178 -0.809 88 HG13 ILE 10 2HG1 ILE 10 7.414 4.683 0.600 89 HG21 ILE 10 1HG2 ILE 10 10.732 5.729 1.642 90 HG22 ILE 10 2HG2 ILE 10 9.570 4.944 2.739 91 HG23 ILE 10 3HG2 ILE 10 11.039 4.077 2.230 92 HD11 ILE 10 3HD1 ILE 10 7.721 7.164 0.484 93 HD12 ILE 10 1HD1 ILE 10 8.439 6.467 1.956 94 HD13 ILE 10 2HD1 ILE 10 9.482 6.930 0.590 95 H ARG 11 H ARG 11 12.727 5.217 -0.439 96 HA ARG 11 HA ARG 11 14.770 4.819 0.137 97 HE ARG 11 HE ARG 11 15.402 5.390 4.926 98 HB2 ARG 11 1HB ARG 11 13.303 2.964 1.992 99 HB3 ARG 11 2HB ARG 11 15.027 2.696 1.839 100 HG2 ARG 11 1HG ARG 11 15.576 4.682 2.881 101 HG3 ARG 11 2HG ARG 11 14.230 5.553 2.173 102 HD2 ARG 11 1HD ARG 11 12.730 4.899 3.856 103 HD3 ARG 11 2HD ARG 11 13.591 3.412 4.200 104 HH11 ARG 11 1HH1 ARG 11 12.051 4.666 5.823 105 HH12 ARG 11 2HH1 ARG 11 12.199 5.344 7.410 106 HH21 ARG 11 1HH2 ARG 11 15.586 6.260 6.961 107 HH22 ARG 11 2HH2 ARG 11 14.292 6.292 8.091 108 H GLY 12 H GLY 12 13.637 3.529 -2.238 109 HA3 GLY 12 2HA GLY 12 15.758 1.777 -2.898 110 H VAL 13 H VAL 13 12.761 1.301 -1.190 111 HA VAL 13 HA VAL 13 12.919 -1.579 -1.760 112 HB VAL 13 HB VAL 13 11.987 -0.563 0.884 113 HG11 VAL 13 1HG1 VAL 13 11.850 -2.803 1.058 114 HG12 VAL 13 2HG1 VAL 13 12.942 -3.076 -0.321 115 HG13 VAL 13 3HG1 VAL 13 13.614 -2.739 1.292 116 HG21 VAL 13 3HG2 VAL 13 13.914 0.656 1.047 117 HG22 VAL 13 1HG2 VAL 13 14.558 -0.935 1.517 118 HG23 VAL 13 2HG2 VAL 13 14.781 -0.340 -0.146 119 H LEU 14 H LEU 14 10.818 -2.741 -1.369 120 HA LEU 14 HA LEU 14 8.620 -0.969 -2.157 121 HG LEU 14 HG LEU 14 9.348 -3.009 -4.944 122 HB2 LEU 14 1HB LEU 14 9.415 -3.746 -2.853 123 HB3 LEU 14 2HB LEU 14 7.698 -3.413 -2.737 124 HD11 LEU 14 1HD1 LEU 14 6.812 -1.495 -4.921 125 HD12 LEU 14 2HD1 LEU 14 7.385 -2.778 -6.016 126 HD13 LEU 14 3HD1 LEU 14 6.689 -3.203 -4.433 127 HD21 LEU 14 3HD2 LEU 14 8.464 -0.267 -4.059 128 HD22 LEU 14 1HD2 LEU 14 10.084 -0.897 -3.676 129 HD23 LEU 14 2HD2 LEU 14 9.574 -0.725 -5.372 130 H VAL 15 H VAL 15 7.665 -0.276 -0.281 131 HA VAL 15 HA VAL 15 7.296 -2.202 1.859 132 HB VAL 15 HB VAL 15 6.251 0.585 1.962 133 HG11 VAL 15 1HG1 VAL 15 5.932 -0.500 3.980 134 HG12 VAL 15 2HG1 VAL 15 7.447 -1.425 3.849 135 HG13 VAL 15 3HG1 VAL 15 7.494 0.306 4.260 136 HG21 VAL 15 3HG2 VAL 15 9.152 -0.148 1.664 137 HG22 VAL 15 1HG2 VAL 15 8.252 1.233 0.991 138 HG23 VAL 15 2HG2 VAL 15 8.686 1.210 2.717 139 H ARG 16 H ARG 16 5.276 -2.946 2.587 140 HA ARG 16 HA ARG 16 3.237 -2.715 0.566 141 HE ARG 16 HE ARG 16 6.166 -7.030 2.000 142 HB2 ARG 16 1HB ARG 16 2.909 -4.424 3.038 143 HB3 ARG 16 2HB ARG 16 2.370 -4.743 1.401 144 HG2 ARG 16 1HG ARG 16 4.970 -4.807 0.850 145 HG3 ARG 16 2HG ARG 16 5.145 -5.065 2.575 146 HD2 ARG 16 1HD ARG 16 3.302 -6.936 2.229 147 HD3 ARG 16 2HD ARG 16 3.747 -6.829 0.538 148 HH11 ARG 16 1HH1 ARG 16 3.304 -9.024 1.380 149 HH12 ARG 16 2HH1 ARG 16 4.153 -10.521 1.566 150 HH21 ARG 16 1HH2 ARG 16 7.252 -8.954 2.239 151 HH22 ARG 16 2HH2 ARG 16 6.495 -10.487 2.076 152 H TYR 17 H TYR 17 1.136 -1.859 0.976 153 HA TYR 17 HA TYR 17 0.508 -1.002 3.674 154 HD1 TYR 17 HD2 TYR 17 -1.488 1.733 1.308 155 HD2 TYR 17 HD1 TYR 17 2.423 0.502 0.083 156 HE1 TYR 17 HE2 TYR 17 -2.018 2.405 -1.086 157 HE2 TYR 17 HE1 TYR 17 1.879 1.178 -2.307 158 HH TYR 17 HH TYR 17 -1.339 2.435 -3.137 159 HB2 TYR 17 1HB TYR 17 0.299 1.345 2.953 160 HB3 TYR 17 2HB TYR 17 1.889 0.810 2.445 161 H ARG 18 H ARG 18 -1.766 -0.286 3.876 162 HA ARG 18 HA ARG 18 -3.336 -1.280 1.633 163 HE ARG 18 HE ARG 18 -5.791 -4.262 4.535 164 HB2 ARG 18 1HB ARG 18 -4.160 -1.429 4.572 165 HB3 ARG 18 2HB ARG 18 -4.966 -2.191 3.215 166 HG2 ARG 18 1HG ARG 18 -3.032 -3.667 2.826 167 HG3 ARG 18 2HG ARG 18 -2.101 -2.834 4.055 168 HD2 ARG 18 1HD ARG 18 -3.573 -5.109 4.526 169 HD3 ARG 18 2HD ARG 18 -3.124 -3.961 5.772 170 HH11 ARG 18 1HH1 ARG 18 -3.698 -2.298 6.613 171 HH12 ARG 18 2HH1 ARG 18 -5.017 -1.469 7.369 172 HH21 ARG 18 1HH2 ARG 18 -7.481 -3.195 5.508 173 HH22 ARG 18 2HH2 ARG 18 -7.263 -1.996 6.718 174 H ARG 19 H ARG 19 -4.922 0.130 0.871 175 HA ARG 19 HA ARG 19 -5.477 2.415 2.586 176 HE ARG 19 HE ARG 19 -5.504 5.430 1.234 177 HB2 ARG 19 1HB ARG 19 -4.945 2.299 -0.410 178 HB3 ARG 19 2HB ARG 19 -5.841 3.635 0.284 179 HG2 ARG 19 1HG ARG 19 -3.737 3.619 2.004 180 HG3 ARG 19 2HG ARG 19 -2.941 2.915 0.611 181 HD2 ARG 19 1HD ARG 19 -2.653 5.326 0.477 182 HD3 ARG 19 2HD ARG 19 -3.771 4.860 -0.790 183 HH11 ARG 19 1HH1 ARG 19 -2.711 7.233 0.009 184 HH12 ARG 19 2HH1 ARG 19 -3.361 8.779 0.443 185 HH21 ARG 19 1HH2 ARG 19 -6.334 7.415 1.790 186 HH22 ARG 19 2HH2 ARG 19 -5.509 8.893 1.499 187 H CYS 20 H CYS 20 -7.653 3.486 2.057 188 HA CYS 20 HA CYS 20 -9.515 1.454 1.059 189 HB2 CYS 20 1HB CYS 20 -9.927 3.456 3.289 190 HB3 CYS 20 2HB CYS 20 -11.191 2.452 2.606 191 H TRP 21 H TRP 21 -11.483 2.401 -0.009 192 HA TRP 21 HA TRP 21 -10.752 4.476 -1.777 193 HD1 TRP 21 1HD TRP 21 -15.184 4.169 -3.172 194 HE1 TRP 21 HE1 TRP 21 -17.267 4.483 -1.583 195 HE3 TRP 21 HE3 TRP 21 -12.675 3.278 1.160 196 HZ2 TRP 21 HZ2 TRP 21 -17.624 4.328 1.244 197 HZ3 TRP 21 HZ3 TRP 21 -13.965 3.380 3.291 198 HH2 TRP 21 2HH TRP 21 -16.355 3.883 3.378 199 HB2 TRP 21 1HB TRP 21 -12.577 3.880 -2.936 200 HB3 TRP 21 2HB TRP 21 -12.466 2.447 -1.934 Start of MODEL 17 1 HA ARG 1 HA ARG 1 -15.804 1.887 1.593 2 HE ARG 1 HE ARG 1 -16.859 -0.699 5.664 3 H1 ARG 1 1H ARG 1 -17.251 2.372 -0.134 4 H2 ARG 1 2H ARG 1 -15.862 1.677 -0.702 5 H3 ARG 1 3H ARG 1 -17.261 0.797 -0.645 6 HB2 ARG 1 1HB ARG 1 -18.274 1.752 1.975 7 HB3 ARG 1 2HB ARG 1 -18.255 0.053 1.545 8 HG2 ARG 1 1HG ARG 1 -16.237 0.407 3.551 9 HG3 ARG 1 2HG ARG 1 -17.649 1.286 4.105 10 HD2 ARG 1 1HD ARG 1 -19.048 -0.678 3.999 11 HD3 ARG 1 2HD ARG 1 -17.873 -1.562 3.046 12 HH11 ARG 1 1HH1 ARG 1 -18.539 -3.273 3.900 13 HH12 ARG 1 2HH1 ARG 1 -18.141 -4.497 5.058 14 HH21 ARG 1 1HH2 ARG 1 -16.351 -2.273 7.148 15 HH22 ARG 1 2HH2 ARG 1 -16.844 -3.911 6.987 16 H TRP 2 H TRP 2 -14.024 0.723 0.175 17 HA TRP 2 HA TRP 2 -13.712 -1.928 1.297 18 HD1 TRP 2 HD1 TRP 2 -11.665 -3.281 -2.344 19 HE1 TRP 2 HE1 TRP 2 -10.774 -1.919 -4.422 20 HE3 TRP 2 HE3 TRP 2 -14.853 0.642 -1.803 21 HZ2 TRP 2 HZ2 TRP 2 -11.488 0.590 -5.579 22 HZ3 TRP 2 HZ3 TRP 2 -14.690 2.507 -3.449 23 HH2 TRP 2 HH2 TRP 2 -13.080 2.523 -5.288 24 HB2 TRP 2 1HB TRP 2 -13.635 -3.143 -0.616 25 HB3 TRP 2 2HB TRP 2 -14.902 -2.004 -1.029 26 H CYS 3 H CYS 3 -11.401 -2.637 1.070 27 HA CYS 3 HA CYS 3 -9.651 -0.364 0.488 28 HB2 CYS 3 1HB CYS 3 -9.122 -2.296 2.738 29 HB3 CYS 3 2HB CYS 3 -8.315 -0.780 2.392 30 H VAL 4 H VAL 4 -7.557 -0.992 -0.389 31 HA VAL 4 HA VAL 4 -7.292 -3.838 -1.011 32 HB VAL 4 HB VAL 4 -6.737 -3.327 -3.311 33 HG11 VAL 4 1HG1 VAL 4 -9.390 -2.003 -2.690 34 HG12 VAL 4 2HG1 VAL 4 -8.933 -2.929 -4.139 35 HG13 VAL 4 3HG1 VAL 4 -9.127 -3.759 -2.576 36 HG21 VAL 4 3HG2 VAL 4 -7.623 -0.468 -2.869 37 HG22 VAL 4 1HG2 VAL 4 -5.917 -0.964 -2.762 38 HG23 VAL 4 2HG2 VAL 4 -6.811 -1.176 -4.286 39 H TYR 5 H TYR 5 -5.046 -4.447 -1.556 40 HA TYR 5 HA TYR 5 -3.200 -2.771 -0.052 41 HD1 TYR 5 HD1 TYR 5 -4.782 -4.092 1.267 42 HD2 TYR 5 HD2 TYR 5 -3.367 -7.568 -0.786 43 HE1 TYR 5 HE1 TYR 5 -6.585 -5.494 2.385 44 HE2 TYR 5 HE2 TYR 5 -5.174 -8.959 0.338 45 HH TYR 5 HH TYR 5 -6.532 -8.495 2.798 46 HB2 TYR 5 1HB TYR 5 -2.558 -5.419 -1.404 47 HB3 TYR 5 2HB TYR 5 -2.022 -4.851 0.165 48 H ALA 6 H ALA 6 -1.153 -2.089 -0.887 49 HA ALA 6 HA ALA 6 -0.662 -2.502 -3.708 50 HB1 ALA 6 3HB ALA 6 -1.540 0.110 -2.494 51 HB2 ALA 6 1HB ALA 6 -0.350 0.123 -3.817 52 HB3 ALA 6 2HB ALA 6 -1.954 -0.604 -4.071 53 H TYR 7 H TYR 7 1.539 -1.664 -4.313 54 HA TYR 7 HA TYR 7 3.262 -1.646 -1.928 55 HD1 TYR 7 HD1 TYR 7 1.524 -3.906 -3.038 56 HD2 TYR 7 HD2 TYR 7 5.758 -4.513 -3.137 57 HE1 TYR 7 HE1 TYR 7 1.227 -6.202 -1.986 58 HE2 TYR 7 HE2 TYR 7 5.447 -6.806 -2.086 59 HH TYR 7 HH TYR 7 2.552 -8.370 -1.998 60 HB2 TYR 7 1HB TYR 7 3.448 -2.720 -4.797 61 HB3 TYR 7 2HB TYR 7 4.907 -2.482 -3.857 62 H VAL 8 H VAL 8 5.103 -0.241 -1.919 63 HA VAL 8 HA VAL 8 5.246 1.679 -4.103 64 HB VAL 8 HB VAL 8 3.909 3.007 -2.851 65 HG11 VAL 8 1HG1 VAL 8 3.507 1.294 -1.105 66 HG12 VAL 8 2HG1 VAL 8 5.003 1.804 -0.286 67 HG13 VAL 8 3HG1 VAL 8 3.638 2.937 -0.434 68 HG21 VAL 8 3HG2 VAL 8 5.209 4.617 -1.571 69 HG22 VAL 8 1HG2 VAL 8 6.541 3.449 -1.401 70 HG23 VAL 8 2HG2 VAL 8 6.127 4.101 -3.005 71 H ARG 9 H ARG 9 7.335 2.563 -4.383 72 HA ARG 9 HA ARG 9 9.331 1.071 -2.930 73 HE ARG 9 HE ARG 9 11.446 2.961 -7.830 74 HB2 ARG 9 1HB ARG 9 9.859 0.923 -5.205 75 HB3 ARG 9 2HB ARG 9 9.206 2.507 -5.573 76 HG2 ARG 9 1HG ARG 9 11.148 3.637 -4.762 77 HG3 ARG 9 2HG ARG 9 11.693 2.243 -3.849 78 HD2 ARG 9 1HD ARG 9 13.087 1.927 -5.652 79 HD3 ARG 9 2HD ARG 9 11.682 1.152 -6.358 80 HH11 ARG 9 1HH1 ARG 9 13.598 3.913 -5.181 81 HH12 ARG 9 2HH1 ARG 9 14.040 5.418 -5.916 82 HH21 ARG 9 1HH2 ARG 9 12.015 4.892 -8.769 83 HH22 ARG 9 2HH2 ARG 9 13.105 6.005 -8.043 84 H ILE 10 H ILE 10 10.200 2.044 -1.124 85 HA ILE 10 HA ILE 10 10.871 4.872 -1.321 86 HB ILE 10 HB ILE 10 8.941 3.646 0.588 87 HG12 ILE 10 1HG1 ILE 10 8.732 5.452 -1.472 88 HG13 ILE 10 2HG1 ILE 10 7.560 5.219 -0.190 89 HG21 ILE 10 1HG2 ILE 10 10.811 4.351 2.024 90 HG22 ILE 10 2HG2 ILE 10 10.725 5.984 1.321 91 HG23 ILE 10 3HG2 ILE 10 9.358 5.350 2.268 92 HD11 ILE 10 3HD1 ILE 10 9.869 7.217 -0.142 93 HD12 ILE 10 1HD1 ILE 10 8.150 7.607 -0.391 94 HD13 ILE 10 2HD1 ILE 10 8.700 6.971 1.178 95 H ARG 11 H ARG 11 12.786 5.405 -0.268 96 HA ARG 11 HA ARG 11 14.701 5.108 0.685 97 HE ARG 11 HE ARG 11 16.326 5.666 3.290 98 HB2 ARG 11 1HB ARG 11 13.020 3.172 2.282 99 HB3 ARG 11 2HB ARG 11 14.758 3.105 2.500 100 HG2 ARG 11 1HG ARG 11 14.220 5.856 2.578 101 HG3 ARG 11 2HG ARG 11 12.833 5.162 3.394 102 HD2 ARG 11 1HD ARG 11 14.195 5.159 5.239 103 HD3 ARG 11 2HD ARG 11 14.858 3.693 4.544 104 HH11 ARG 11 1HH1 ARG 11 15.622 4.979 6.694 105 HH12 ARG 11 2HH1 ARG 11 17.108 5.660 7.268 106 HH21 ARG 11 1HH2 ARG 11 18.231 6.538 4.030 107 HH22 ARG 11 2HH2 ARG 11 18.659 6.586 5.693 108 H GLY 12 H GLY 12 14.131 3.744 -1.821 109 HA3 GLY 12 2HA GLY 12 16.389 2.092 -2.048 110 H VAL 13 H VAL 13 13.179 1.458 -0.832 111 HA VAL 13 HA VAL 13 13.553 -1.414 -1.306 112 HB VAL 13 HB VAL 13 12.531 -0.311 1.297 113 HG11 VAL 13 1HG1 VAL 13 13.797 -2.632 1.877 114 HG12 VAL 13 2HG1 VAL 13 12.081 -2.532 1.412 115 HG13 VAL 13 3HG1 VAL 13 13.310 -2.957 0.196 116 HG21 VAL 13 3HG2 VAL 13 14.556 0.591 1.678 117 HG22 VAL 13 1HG2 VAL 13 15.107 -1.091 1.867 118 HG23 VAL 13 2HG2 VAL 13 15.301 -0.262 0.304 119 H LEU 14 H LEU 14 11.470 -2.656 -1.001 120 HA LEU 14 HA LEU 14 9.265 -0.975 -1.949 121 HG LEU 14 HG LEU 14 7.542 -3.583 -3.477 122 HB2 LEU 14 1HB LEU 14 10.334 -3.015 -3.232 123 HB3 LEU 14 2HB LEU 14 9.299 -3.954 -2.175 124 HD11 LEU 14 1HD1 LEU 14 8.106 -0.608 -3.485 125 HD12 LEU 14 2HD1 LEU 14 6.561 -1.426 -3.822 126 HD13 LEU 14 3HD1 LEU 14 7.251 -1.468 -2.182 127 HD21 LEU 14 3HD2 LEU 14 9.154 -3.733 -5.286 128 HD22 LEU 14 1HD2 LEU 14 7.853 -2.594 -5.710 129 HD23 LEU 14 2HD2 LEU 14 9.445 -1.978 -5.206 130 H VAL 15 H VAL 15 7.674 -0.510 -0.537 131 HA VAL 15 HA VAL 15 7.316 -2.385 1.698 132 HB VAL 15 HB VAL 15 6.475 0.467 1.884 133 HG11 VAL 15 1HG1 VAL 15 5.910 -0.752 3.788 134 HG12 VAL 15 2HG1 VAL 15 7.415 -1.702 3.753 135 HG13 VAL 15 3HG1 VAL 15 7.453 0.006 4.252 136 HG21 VAL 15 3HG2 VAL 15 8.768 1.073 2.718 137 HG22 VAL 15 1HG2 VAL 15 9.358 -0.466 2.045 138 HG23 VAL 15 2HG2 VAL 15 8.673 0.773 0.966 139 H ARG 16 H ARG 16 5.193 -2.998 2.240 140 HA ARG 16 HA ARG 16 3.318 -2.420 0.114 141 HE ARG 16 HE ARG 16 4.601 -6.933 2.772 142 HB2 ARG 16 1HB ARG 16 2.741 -4.429 2.296 143 HB3 ARG 16 2HB ARG 16 2.294 -4.486 0.603 144 HG2 ARG 16 1HG ARG 16 4.838 -4.719 0.107 145 HG3 ARG 16 2HG ARG 16 5.032 -5.026 1.821 146 HD2 ARG 16 1HD ARG 16 2.911 -6.607 0.380 147 HD3 ARG 16 2HD ARG 16 4.580 -7.016 0.039 148 HH11 ARG 16 1HH1 ARG 16 2.397 -8.522 0.498 149 HH12 ARG 16 2HH1 ARG 16 2.001 -9.809 1.588 150 HH21 ARG 16 1HH2 ARG 16 4.090 -8.585 4.167 151 HH22 ARG 16 2HH2 ARG 16 3.002 -9.852 3.765 152 H TYR 17 H TYR 17 1.093 -1.769 0.620 153 HA TYR 17 HA TYR 17 0.528 -1.059 3.373 154 HD1 TYR 17 HD2 TYR 17 2.209 0.100 -0.166 155 HD2 TYR 17 HD1 TYR 17 -1.300 2.207 1.080 156 HE1 TYR 17 HE2 TYR 17 1.773 0.808 -2.568 157 HE2 TYR 17 HE1 TYR 17 -1.725 2.908 -1.327 158 HH TYR 17 HH TYR 17 0.546 1.985 -3.900 159 HB2 TYR 17 1HB TYR 17 0.141 1.315 2.704 160 HB3 TYR 17 2HB TYR 17 1.784 0.876 2.282 161 H ARG 18 H ARG 18 -1.778 0.011 3.447 162 HA ARG 18 HA ARG 18 -3.375 -1.144 1.314 163 HE ARG 18 HE ARG 18 -5.937 -3.527 4.600 164 HB2 ARG 18 1HB ARG 18 -4.044 -1.301 4.297 165 HB3 ARG 18 2HB ARG 18 -5.037 -1.930 2.997 166 HG2 ARG 18 1HG ARG 18 -3.163 -3.469 2.332 167 HG3 ARG 18 2HG ARG 18 -2.203 -2.859 3.665 168 HD2 ARG 18 1HD ARG 18 -4.244 -4.917 3.709 169 HD3 ARG 18 2HD ARG 18 -3.161 -4.429 4.997 170 HH11 ARG 18 1HH1 ARG 18 -2.867 -2.918 6.261 171 HH12 ARG 18 2HH1 ARG 18 -3.594 -1.980 7.523 172 HH21 ARG 18 1HH2 ARG 18 -6.864 -2.323 6.221 173 HH22 ARG 18 2HH2 ARG 18 -5.963 -1.623 7.505 174 H ARG 19 H ARG 19 -5.107 0.175 0.642 175 HA ARG 19 HA ARG 19 -5.520 2.553 2.270 176 HE ARG 19 HE ARG 19 -5.663 5.489 0.777 177 HB2 ARG 19 1HB ARG 19 -5.247 2.275 -0.751 178 HB3 ARG 19 2HB ARG 19 -6.082 3.649 -0.054 179 HG2 ARG 19 1HG ARG 19 -3.837 3.719 1.476 180 HG3 ARG 19 2HG ARG 19 -3.164 2.940 0.058 181 HD2 ARG 19 1HD ARG 19 -2.894 5.341 -0.227 182 HD3 ARG 19 2HD ARG 19 -4.115 4.810 -1.367 183 HH11 ARG 19 1HH1 ARG 19 -3.018 7.221 -0.824 184 HH12 ARG 19 2HH1 ARG 19 -3.640 8.789 -0.429 185 HH21 ARG 19 1HH2 ARG 19 -6.457 7.502 1.281 186 HH22 ARG 19 2HH2 ARG 19 -5.679 8.962 0.819 187 H CYS 20 H CYS 20 -7.737 3.595 1.868 188 HA CYS 20 HA CYS 20 -9.669 1.521 1.119 189 HB2 CYS 20 1HB CYS 20 -9.896 3.585 3.319 190 HB3 CYS 20 2HB CYS 20 -11.207 2.556 2.780 191 H TRP 21 H TRP 21 -11.719 2.422 0.187 192 HA TRP 21 HA TRP 21 -11.157 4.460 -1.684 193 HD1 TRP 21 1HD TRP 21 -15.683 4.075 -2.709 194 HE1 TRP 21 HE1 TRP 21 -17.635 4.412 -0.966 195 HE3 TRP 21 HE3 TRP 21 -12.825 3.320 1.428 196 HZ2 TRP 21 HZ2 TRP 21 -17.762 4.327 1.884 197 HZ3 TRP 21 HZ3 TRP 21 -13.941 3.465 3.652 198 HH2 TRP 21 2HH TRP 21 -16.322 3.948 3.919 199 HB2 TRP 21 1HB TRP 21 -13.062 3.816 -2.677 200 HB3 TRP 21 2HB TRP 21 -12.856 2.410 -1.651 Start of MODEL 18 1 HA ARG 1 HA ARG 1 -15.870 1.737 1.344 2 HE ARG 1 HE ARG 1 -19.647 1.705 -1.164 3 H1 ARG 1 1H ARG 1 -17.070 2.315 -0.536 4 H2 ARG 1 2H ARG 1 -15.612 1.650 -0.945 5 H3 ARG 1 3H ARG 1 -17.001 0.770 -1.127 6 HB2 ARG 1 1HB ARG 1 -17.633 0.411 2.479 7 HB3 ARG 1 2HB ARG 1 -18.358 1.591 1.405 8 HG2 ARG 1 1HG ARG 1 -17.882 -0.794 -0.138 9 HG3 ARG 1 2HG ARG 1 -18.639 -1.287 1.364 10 HD2 ARG 1 1HD ARG 1 -20.530 -0.801 0.073 11 HD3 ARG 1 2HD ARG 1 -20.294 0.737 0.880 12 HH11 ARG 1 1HH1 ARG 1 -19.696 -1.822 -1.499 13 HH12 ARG 1 2HH1 ARG 1 -19.491 -1.786 -3.219 14 HH21 ARG 1 1HH2 ARG 1 -19.384 1.747 -3.370 15 HH22 ARG 1 2HH2 ARG 1 -19.306 0.327 -4.334 16 H TRP 2 H TRP 2 -13.968 0.610 -0.060 17 HA TRP 2 HA TRP 2 -13.720 -2.052 1.060 18 HD1 TRP 2 HD1 TRP 2 -11.411 -3.313 -2.467 19 HE1 TRP 2 HE1 TRP 2 -10.418 -1.902 -4.463 20 HE3 TRP 2 HE3 TRP 2 -14.697 0.546 -2.065 21 HZ2 TRP 2 HZ2 TRP 2 -11.103 0.613 -5.624 22 HZ3 TRP 2 HZ3 TRP 2 -14.466 2.440 -3.669 23 HH2 TRP 2 HH2 TRP 2 -12.745 2.514 -5.403 24 HB2 TRP 2 1HB TRP 2 -13.488 -3.237 -0.864 25 HB3 TRP 2 2HB TRP 2 -14.746 -2.112 -1.336 26 H CYS 3 H CYS 3 -11.397 -2.750 0.992 27 HA CYS 3 HA CYS 3 -9.613 -0.474 0.543 28 HB2 CYS 3 1HB CYS 3 -9.265 -2.387 2.845 29 HB3 CYS 3 2HB CYS 3 -8.422 -0.880 2.545 30 H VAL 4 H VAL 4 -7.482 -1.096 -0.209 31 HA VAL 4 HA VAL 4 -7.052 -3.939 -0.652 32 HB VAL 4 HB VAL 4 -6.619 -3.659 -2.996 33 HG11 VAL 4 1HG1 VAL 4 -9.298 -2.372 -2.380 34 HG12 VAL 4 2HG1 VAL 4 -8.859 -3.324 -3.818 35 HG13 VAL 4 3HG1 VAL 4 -8.959 -4.112 -2.225 36 HG21 VAL 4 3HG2 VAL 4 -6.130 -1.700 -3.942 37 HG22 VAL 4 1HG2 VAL 4 -7.718 -1.037 -3.486 38 HG23 VAL 4 2HG2 VAL 4 -6.346 -0.918 -2.357 39 H TYR 5 H TYR 5 -4.756 -4.370 -1.322 40 HA TYR 5 HA TYR 5 -3.035 -2.520 0.106 41 HD1 TYR 5 HD2 TYR 5 -4.506 -3.967 1.315 42 HD2 TYR 5 HD1 TYR 5 -2.572 -7.314 -0.518 43 HE1 TYR 5 HE2 TYR 5 -6.065 -5.553 2.549 44 HE2 TYR 5 HE1 TYR 5 -4.136 -8.888 0.722 45 HH TYR 5 HH TYR 5 -6.937 -7.809 2.252 46 HB2 TYR 5 1HB TYR 5 -2.208 -5.065 -1.354 47 HB3 TYR 5 2HB TYR 5 -1.606 -4.461 0.177 48 H ALA 6 H ALA 6 -0.907 -1.886 -0.813 49 HA ALA 6 HA ALA 6 -0.727 -1.983 -3.702 50 HB1 ALA 6 3HB ALA 6 -0.265 0.651 -3.438 51 HB2 ALA 6 1HB ALA 6 -1.888 0.002 -3.776 52 HB3 ALA 6 2HB ALA 6 -1.438 0.453 -2.114 53 H TYR 7 H TYR 7 1.438 -1.230 -4.450 54 HA TYR 7 HA TYR 7 3.401 -1.589 -2.290 55 HD1 TYR 7 HD2 TYR 7 5.147 -3.972 -2.694 56 HD2 TYR 7 HD1 TYR 7 1.676 -3.899 -5.195 57 HE1 TYR 7 HE2 TYR 7 4.657 -6.395 -2.098 58 HE2 TYR 7 HE1 TYR 7 1.199 -6.322 -4.591 59 HH TYR 7 HH TYR 7 3.467 -8.301 -3.152 60 HB2 TYR 7 1HB TYR 7 3.299 -2.125 -5.318 61 HB3 TYR 7 2HB TYR 7 4.808 -2.207 -4.431 62 H VAL 8 H VAL 8 5.094 -0.125 -2.044 63 HA VAL 8 HA VAL 8 5.260 2.032 -4.004 64 HB VAL 8 HB VAL 8 3.810 3.005 -2.450 65 HG11 VAL 8 1HG1 VAL 8 4.152 1.180 -0.715 66 HG12 VAL 8 2HG1 VAL 8 5.548 2.118 -0.132 67 HG13 VAL 8 3HG1 VAL 8 3.916 2.826 -0.080 68 HG21 VAL 8 3HG2 VAL 8 6.086 4.195 -2.979 69 HG22 VAL 8 1HG2 VAL 8 4.990 4.872 -1.751 70 HG23 VAL 8 2HG2 VAL 8 6.410 3.923 -1.250 71 H ARG 9 H ARG 9 7.355 2.641 -4.427 72 HA ARG 9 HA ARG 9 9.342 1.106 -3.026 73 HE ARG 9 HE ARG 9 12.412 1.063 -5.241 74 HB2 ARG 9 1HB ARG 9 9.186 2.593 -5.637 75 HB3 ARG 9 2HB ARG 9 10.773 2.474 -4.903 76 HG2 ARG 9 1HG ARG 9 10.266 -0.075 -4.648 77 HG3 ARG 9 2HG ARG 9 8.939 0.202 -5.760 78 HD2 ARG 9 1HD ARG 9 10.960 -0.532 -6.990 79 HD3 ARG 9 2HD ARG 9 10.516 1.096 -7.462 80 HH11 ARG 9 1HH1 ARG 9 12.133 0.906 -8.770 81 HH12 ARG 9 2HH1 ARG 9 13.744 1.478 -9.047 82 HH21 ARG 9 1HH2 ARG 9 14.478 1.796 -5.601 83 HH22 ARG 9 2HH2 ARG 9 15.140 2.007 -7.172 84 H ILE 10 H ILE 10 10.241 2.020 -1.203 85 HA ILE 10 HA ILE 10 11.051 4.813 -1.378 86 HB ILE 10 HB ILE 10 9.059 3.674 0.520 87 HG12 ILE 10 1HG1 ILE 10 8.940 5.503 -1.517 88 HG13 ILE 10 2HG1 ILE 10 7.770 5.344 -0.223 89 HG21 ILE 10 1HG2 ILE 10 10.977 5.894 1.282 90 HG22 ILE 10 2HG2 ILE 10 9.570 5.337 2.219 91 HG23 ILE 10 3HG2 ILE 10 10.958 4.252 1.969 92 HD11 ILE 10 3HD1 ILE 10 9.024 7.019 1.133 93 HD12 ILE 10 1HD1 ILE 10 10.208 7.183 -0.186 94 HD13 ILE 10 2HD1 ILE 10 8.521 7.690 -0.437 95 H ARG 11 H ARG 11 13.002 5.230 -0.350 96 HA ARG 11 HA ARG 11 14.905 4.826 0.589 97 HE ARG 11 HE ARG 11 14.190 6.422 4.943 98 HB2 ARG 11 1HB ARG 11 13.113 3.023 2.214 99 HB3 ARG 11 2HB ARG 11 14.842 2.815 2.410 100 HG2 ARG 11 1HG ARG 11 14.951 5.393 2.742 101 HG3 ARG 11 2HG ARG 11 13.207 5.336 2.902 102 HD2 ARG 11 1HD ARG 11 13.402 3.745 4.799 103 HD3 ARG 11 2HD ARG 11 15.143 3.696 4.609 104 HH11 ARG 11 1HH1 ARG 11 14.991 3.469 6.729 105 HH12 ARG 11 2HH1 ARG 11 15.332 4.307 8.207 106 HH21 ARG 11 1HH2 ARG 11 14.628 7.493 6.840 107 HH22 ARG 11 2HH2 ARG 11 15.118 6.693 8.279 108 H GLY 12 H GLY 12 14.275 3.507 -1.909 109 HA3 GLY 12 2HA GLY 12 16.417 1.711 -2.130 110 H VAL 13 H VAL 13 13.195 1.278 -0.880 111 HA VAL 13 HA VAL 13 13.388 -1.612 -1.355 112 HB VAL 13 HB VAL 13 12.385 -0.471 1.232 113 HG11 VAL 13 1HG1 VAL 13 13.416 -3.137 0.263 114 HG12 VAL 13 2HG1 VAL 13 13.373 -2.738 1.997 115 HG13 VAL 13 3HG1 VAL 13 11.867 -2.746 1.049 116 HG21 VAL 13 3HG2 VAL 13 14.415 0.396 1.655 117 HG22 VAL 13 1HG2 VAL 13 14.948 -1.294 1.827 118 HG23 VAL 13 2HG2 VAL 13 15.165 -0.445 0.277 119 H LEU 14 H LEU 14 11.213 -2.717 -0.976 120 HA LEU 14 HA LEU 14 9.118 -0.913 -1.958 121 HG LEU 14 HG LEU 14 7.259 -3.404 -3.524 122 HB2 LEU 14 1HB LEU 14 10.075 -2.994 -3.263 123 HB3 LEU 14 2HB LEU 14 8.986 -3.886 -2.219 124 HD11 LEU 14 1HD1 LEU 14 7.971 -0.462 -3.507 125 HD12 LEU 14 2HD1 LEU 14 6.384 -1.203 -3.821 126 HD13 LEU 14 3HD1 LEU 14 7.098 -1.286 -2.193 127 HD21 LEU 14 3HD2 LEU 14 9.069 -1.736 -5.282 128 HD22 LEU 14 1HD2 LEU 14 9.075 -3.516 -5.265 129 HD23 LEU 14 2HD2 LEU 14 7.605 -2.635 -5.747 130 H VAL 15 H VAL 15 7.575 -0.362 -0.523 131 HA VAL 15 HA VAL 15 7.149 -2.212 1.719 132 HB VAL 15 HB VAL 15 6.317 0.647 1.824 133 HG11 VAL 15 1HG1 VAL 15 6.533 0.397 4.126 134 HG12 VAL 15 2HG1 VAL 15 6.003 -1.224 3.617 135 HG13 VAL 15 3HG1 VAL 15 7.719 -0.921 3.979 136 HG21 VAL 15 3HG2 VAL 15 8.396 1.293 1.175 137 HG22 VAL 15 1HG2 VAL 15 8.799 0.886 2.860 138 HG23 VAL 15 2HG2 VAL 15 9.129 -0.283 1.560 139 H ARG 16 H ARG 16 5.021 -2.804 2.265 140 HA ARG 16 HA ARG 16 3.133 -2.173 0.152 141 HE ARG 16 HE ARG 16 5.888 -6.611 -0.056 142 HB2 ARG 16 1HB ARG 16 2.629 -4.356 2.181 143 HB3 ARG 16 2HB ARG 16 2.152 -4.290 0.496 144 HG2 ARG 16 1HG ARG 16 4.759 -4.368 0.023 145 HG3 ARG 16 2HG ARG 16 4.866 -4.972 1.664 146 HD2 ARG 16 1HD ARG 16 3.180 -6.772 1.062 147 HD3 ARG 16 2HD ARG 16 3.216 -6.203 -0.596 148 HH11 ARG 16 1HH1 ARG 16 3.023 -8.662 0.316 149 HH12 ARG 16 2HH1 ARG 16 3.897 -10.139 0.084 150 HH21 ARG 16 1HH2 ARG 16 7.005 -8.508 -0.353 151 HH22 ARG 16 2HH2 ARG 16 6.259 -10.055 -0.313 152 H TYR 17 H TYR 17 1.007 -1.402 0.682 153 HA TYR 17 HA TYR 17 0.415 -0.997 3.505 154 HD1 TYR 17 HD1 TYR 17 2.481 0.912 0.341 155 HD2 TYR 17 HD2 TYR 17 -1.589 1.935 1.172 156 HE1 TYR 17 HE1 TYR 17 2.205 1.776 -2.034 157 HE2 TYR 17 HE2 TYR 17 -1.851 2.796 -1.206 158 HH TYR 17 HH TYR 17 -0.056 3.775 -2.972 159 HB2 TYR 17 1HB TYR 17 -0.028 1.430 2.982 160 HB3 TYR 17 2HB TYR 17 1.647 1.034 2.649 161 H ARG 18 H ARG 18 -1.873 -0.379 3.869 162 HA ARG 18 HA ARG 18 -3.481 -1.308 1.627 163 HE ARG 18 HE ARG 18 -5.518 -3.466 5.759 164 HB2 ARG 18 1HB ARG 18 -4.252 -1.355 4.585 165 HB3 ARG 18 2HB ARG 18 -5.106 -2.137 3.269 166 HG2 ARG 18 1HG ARG 18 -3.497 -3.832 3.037 167 HG3 ARG 18 2HG ARG 18 -2.201 -2.844 3.683 168 HD2 ARG 18 1HD ARG 18 -2.821 -4.585 5.318 169 HD3 ARG 18 2HD ARG 18 -3.201 -3.002 5.966 170 HH11 ARG 18 1HH1 ARG 18 -3.601 -6.047 4.271 171 HH12 ARG 18 2HH1 ARG 18 -4.943 -7.133 4.132 172 HH21 ARG 18 1HH2 ARG 18 -7.237 -4.862 5.579 173 HH22 ARG 18 2HH2 ARG 18 -7.101 -6.437 4.906 174 H ARG 19 H ARG 19 -5.121 0.050 0.863 175 HA ARG 19 HA ARG 19 -5.586 2.434 2.468 176 HE ARG 19 HE ARG 19 -5.691 5.306 1.061 177 HB2 ARG 19 1HB ARG 19 -5.219 2.124 -0.539 178 HB3 ARG 19 2HB ARG 19 -6.081 3.504 0.113 179 HG2 ARG 19 1HG ARG 19 -3.870 3.562 1.719 180 HG3 ARG 19 2HG ARG 19 -3.167 2.822 0.295 181 HD2 ARG 19 1HD ARG 19 -2.928 5.248 0.102 182 HD3 ARG 19 2HD ARG 19 -4.075 4.710 -1.108 183 HH11 ARG 19 1HH1 ARG 19 -3.227 7.126 -0.719 184 HH12 ARG 19 2HH1 ARG 19 -3.958 8.665 -0.403 185 HH21 ARG 19 1HH2 ARG 19 -6.625 7.281 1.463 186 HH22 ARG 19 2HH2 ARG 19 -5.973 8.764 0.890 187 H CYS 20 H CYS 20 -7.785 3.489 1.979 188 HA CYS 20 HA CYS 20 -9.706 1.413 1.209 189 HB2 CYS 20 1HB CYS 20 -9.946 3.498 3.385 190 HB3 CYS 20 2HB CYS 20 -11.288 2.536 2.798 191 H TRP 21 H TRP 21 -11.723 2.309 0.201 192 HA TRP 21 HA TRP 21 -11.092 4.310 -1.689 193 HD1 TRP 21 1HD TRP 21 -15.594 3.895 -2.844 194 HE1 TRP 21 HE1 TRP 21 -17.594 4.273 -1.164 195 HE3 TRP 21 HE3 TRP 21 -12.847 3.265 1.389 196 HZ2 TRP 21 HZ2 TRP 21 -17.798 4.266 1.683 197 HZ3 TRP 21 HZ3 TRP 21 -14.023 3.467 3.577 198 HH2 TRP 21 2HH TRP 21 -16.412 3.949 3.766 199 HB2 TRP 21 1HB TRP 21 -12.970 3.661 -2.729 200 HB3 TRP 21 2HB TRP 21 -12.798 2.269 -1.678 Start of MODEL 19 1 HA ARG 1 HA ARG 1 -15.836 1.926 0.680 2 HE ARG 1 HE ARG 1 -20.044 2.176 1.661 3 H1 ARG 1 1H ARG 1 -17.777 2.105 -0.550 4 H2 ARG 1 2H ARG 1 -16.611 1.293 -1.397 5 H3 ARG 1 3H ARG 1 -17.880 0.462 -0.735 6 HB2 ARG 1 1HB ARG 1 -18.384 0.588 1.546 7 HB3 ARG 1 2HB ARG 1 -17.001 0.356 2.597 8 HG2 ARG 1 1HG ARG 1 -16.726 2.734 2.933 9 HG3 ARG 1 2HG ARG 1 -17.810 3.123 1.612 10 HD2 ARG 1 1HD ARG 1 -18.738 1.588 4.081 11 HD3 ARG 1 2HD ARG 1 -18.784 3.338 3.994 12 HH11 ARG 1 1HH1 ARG 1 -20.603 2.835 5.097 13 HH12 ARG 1 2HH1 ARG 1 -22.326 2.895 4.932 14 HH21 ARG 1 1HH2 ARG 1 -22.254 2.253 1.454 15 HH22 ARG 1 2HH2 ARG 1 -23.312 2.551 2.775 16 H TRP 2 H TRP 2 -14.031 0.771 -0.134 17 HA TRP 2 HA TRP 2 -13.830 -1.960 0.801 18 HD1 TRP 2 HD1 TRP 2 -11.355 -3.008 -2.610 19 HE1 TRP 2 HE1 TRP 2 -10.280 -1.532 -4.515 20 HE3 TRP 2 HE3 TRP 2 -14.754 0.764 -2.331 21 HZ2 TRP 2 HZ2 TRP 2 -10.956 0.991 -5.665 22 HZ3 TRP 2 HZ3 TRP 2 -14.474 2.696 -3.880 23 HH2 TRP 2 HH2 TRP 2 -12.655 2.848 -5.506 24 HB2 TRP 2 1HB TRP 2 -13.571 -3.030 -1.179 25 HB3 TRP 2 2HB TRP 2 -14.784 -1.849 -1.634 26 H CYS 3 H CYS 3 -11.495 -2.674 0.691 27 HA CYS 3 HA CYS 3 -9.688 -0.396 0.416 28 HB2 CYS 3 1HB CYS 3 -9.552 -2.358 2.710 29 HB3 CYS 3 2HB CYS 3 -8.520 -0.968 2.441 30 H VAL 4 H VAL 4 -7.445 -1.087 -0.078 31 HA VAL 4 HA VAL 4 -7.056 -3.899 -0.626 32 HB VAL 4 HB VAL 4 -6.464 -3.531 -2.959 33 HG11 VAL 4 1HG1 VAL 4 -8.710 -3.306 -3.867 34 HG12 VAL 4 2HG1 VAL 4 -8.760 -4.243 -2.354 35 HG13 VAL 4 3HG1 VAL 4 -9.272 -2.537 -2.363 36 HG21 VAL 4 3HG2 VAL 4 -5.929 -1.050 -2.596 37 HG22 VAL 4 1HG2 VAL 4 -6.744 -1.493 -4.116 38 HG23 VAL 4 2HG2 VAL 4 -7.676 -0.765 -2.785 39 H TYR 5 H TYR 5 -4.754 -4.371 -1.118 40 HA TYR 5 HA TYR 5 -3.070 -2.406 0.235 41 HD1 TYR 5 HD1 TYR 5 -4.515 -3.665 1.787 42 HD2 TYR 5 HD2 TYR 5 -2.979 -7.249 0.026 43 HE1 TYR 5 HE1 TYR 5 -6.249 -5.035 3.045 44 HE2 TYR 5 HE2 TYR 5 -4.718 -8.606 1.290 45 HH TYR 5 HH TYR 5 -7.183 -7.918 2.257 46 HB2 TYR 5 1HB TYR 5 -2.219 -5.155 -0.752 47 HB3 TYR 5 2HB TYR 5 -1.763 -4.356 0.740 48 H ALA 6 H ALA 6 -0.977 -1.803 -0.632 49 HA ALA 6 HA ALA 6 -0.469 -2.480 -3.399 50 HB1 ALA 6 3HB ALA 6 -1.811 -0.645 -3.923 51 HB2 ALA 6 1HB ALA 6 -1.365 0.236 -2.443 52 HB3 ALA 6 2HB ALA 6 -0.206 0.112 -3.787 53 H TYR 7 H TYR 7 1.726 -1.750 -4.068 54 HA TYR 7 HA TYR 7 3.437 -1.435 -1.695 55 HD1 TYR 7 HD2 TYR 7 3.402 -3.888 -1.075 56 HD2 TYR 7 HD1 TYR 7 3.059 -4.364 -5.313 57 HE1 TYR 7 HE2 TYR 7 2.183 -6.093 -0.736 58 HE2 TYR 7 HE1 TYR 7 1.841 -6.567 -4.960 59 HH TYR 7 HH TYR 7 0.328 -7.445 -2.708 60 HB2 TYR 7 1HB TYR 7 4.138 -2.492 -4.492 61 HB3 TYR 7 2HB TYR 7 5.041 -2.759 -3.014 62 H VAL 8 H VAL 8 4.963 0.201 -1.647 63 HA VAL 8 HA VAL 8 5.128 1.853 -4.070 64 HB VAL 8 HB VAL 8 3.766 3.126 -2.702 65 HG11 VAL 8 1HG1 VAL 8 5.478 2.500 -0.276 66 HG12 VAL 8 2HG1 VAL 8 3.912 3.345 -0.315 67 HG13 VAL 8 3HG1 VAL 8 3.998 1.611 -0.708 68 HG21 VAL 8 3HG2 VAL 8 6.614 3.949 -2.040 69 HG22 VAL 8 1HG2 VAL 8 5.654 4.453 -3.452 70 HG23 VAL 8 2HG2 VAL 8 5.176 4.975 -1.819 71 H ARG 9 H ARG 9 7.182 2.974 -4.353 72 HA ARG 9 HA ARG 9 9.298 1.379 -3.255 73 HE ARG 9 HE ARG 9 10.751 4.684 -6.998 74 HB2 ARG 9 1HB ARG 9 9.696 1.704 -5.539 75 HB3 ARG 9 2HB ARG 9 8.984 3.305 -5.548 76 HG2 ARG 9 1HG ARG 9 10.940 4.326 -4.656 77 HG3 ARG 9 2HG ARG 9 11.557 2.814 -4.020 78 HD2 ARG 9 1HD ARG 9 12.895 2.968 -5.910 79 HD3 ARG 9 2HD ARG 9 11.541 2.111 -6.620 80 HH11 ARG 9 1HH1 ARG 9 13.885 3.140 -7.584 81 HH12 ARG 9 2HH1 ARG 9 14.308 4.206 -8.882 82 HH21 ARG 9 1HH2 ARG 9 11.297 6.050 -8.664 83 HH22 ARG 9 2HH2 ARG 9 12.777 5.933 -9.528 84 H ILE 10 H ILE 10 10.051 2.014 -1.247 85 HA ILE 10 HA ILE 10 10.722 4.841 -0.944 86 HB ILE 10 HB ILE 10 8.918 3.213 0.803 87 HG12 ILE 10 1HG1 ILE 10 8.522 5.296 -0.987 88 HG13 ILE 10 2HG1 ILE 10 7.388 4.721 0.218 89 HG21 ILE 10 1HG2 ILE 10 10.717 3.837 2.300 90 HG22 ILE 10 2HG2 ILE 10 10.642 5.524 1.737 91 HG23 ILE 10 3HG2 ILE 10 9.276 4.826 2.638 92 HD11 ILE 10 3HD1 ILE 10 9.506 6.854 0.749 93 HD12 ILE 10 1HD1 ILE 10 7.804 7.196 0.358 94 HD13 ILE 10 2HD1 ILE 10 8.217 6.340 1.863 95 H ARG 11 H ARG 11 12.717 5.172 -0.033 96 HA ARG 11 HA ARG 11 14.671 4.740 0.778 97 HE ARG 11 HE ARG 11 11.749 5.561 4.459 98 HB2 ARG 11 1HB ARG 11 13.202 2.455 2.172 99 HB3 ARG 11 2HB ARG 11 14.899 2.779 2.464 100 HG2 ARG 11 1HG ARG 11 14.474 4.853 3.502 101 HG3 ARG 11 2HG ARG 11 12.936 5.067 2.689 102 HD2 ARG 11 1HD ARG 11 12.268 2.865 4.072 103 HD3 ARG 11 2HD ARG 11 13.582 3.380 5.112 104 HH11 ARG 11 1HH1 ARG 11 12.299 2.835 6.654 105 HH12 ARG 11 2HH1 ARG 11 11.315 3.494 7.918 106 HH21 ARG 11 1HH2 ARG 11 10.488 6.403 6.083 107 HH22 ARG 11 2HH2 ARG 11 10.238 5.609 7.586 108 H GLY 12 H GLY 12 13.940 3.671 -1.827 109 HA3 GLY 12 2HA GLY 12 16.145 2.017 -2.356 110 H VAL 13 H VAL 13 13.000 1.303 -1.028 111 HA VAL 13 HA VAL 13 13.274 -1.502 -1.842 112 HB VAL 13 HB VAL 13 12.444 -0.678 0.927 113 HG11 VAL 13 1HG1 VAL 13 13.528 -3.043 1.301 114 HG12 VAL 13 2HG1 VAL 13 11.886 -2.904 0.630 115 HG13 VAL 13 3HG1 VAL 13 13.265 -3.220 -0.451 116 HG21 VAL 13 3HG2 VAL 13 15.146 -0.577 -0.231 117 HG22 VAL 13 1HG2 VAL 13 14.515 0.123 1.279 118 HG23 VAL 13 2HG2 VAL 13 15.028 -1.581 1.234 119 H LEU 14 H LEU 14 11.178 -2.735 -1.512 120 HA LEU 14 HA LEU 14 8.979 -0.940 -2.218 121 HG LEU 14 HG LEU 14 7.067 -3.474 -3.684 122 HB2 LEU 14 1HB LEU 14 9.876 -2.946 -3.647 123 HB3 LEU 14 2HB LEU 14 8.918 -3.914 -2.545 124 HD11 LEU 14 1HD1 LEU 14 6.925 -1.402 -2.286 125 HD12 LEU 14 2HD1 LEU 14 7.662 -0.506 -3.636 126 HD13 LEU 14 3HD1 LEU 14 6.084 -1.301 -3.852 127 HD21 LEU 14 3HD2 LEU 14 7.207 -2.405 -5.895 128 HD22 LEU 14 1HD2 LEU 14 8.840 -1.817 -5.499 129 HD23 LEU 14 2HD2 LEU 14 8.529 -3.565 -5.622 130 H VAL 15 H VAL 15 7.608 -0.394 -0.617 131 HA VAL 15 HA VAL 15 7.309 -2.323 1.577 132 HB VAL 15 HB VAL 15 6.461 0.525 1.807 133 HG11 VAL 15 1HG1 VAL 15 7.285 -1.717 3.573 134 HG12 VAL 15 2HG1 VAL 15 7.782 -0.087 4.086 135 HG13 VAL 15 3HG1 VAL 15 6.060 -0.449 3.817 136 HG21 VAL 15 3HG2 VAL 15 9.350 -0.394 1.763 137 HG22 VAL 15 1HG2 VAL 15 8.587 0.874 0.774 138 HG23 VAL 15 2HG2 VAL 15 8.811 1.122 2.522 139 H ARG 16 H ARG 16 5.226 -2.949 2.244 140 HA ARG 16 HA ARG 16 3.226 -2.393 0.230 141 HE ARG 16 HE ARG 16 5.586 -7.044 2.085 142 HB2 ARG 16 1HB ARG 16 2.790 -4.389 2.456 143 HB3 ARG 16 2HB ARG 16 2.243 -4.460 0.793 144 HG2 ARG 16 1HG ARG 16 4.754 -4.685 0.148 145 HG3 ARG 16 2HG ARG 16 5.053 -4.976 1.850 146 HD2 ARG 16 1HD ARG 16 2.832 -6.641 1.102 147 HD3 ARG 16 2HD ARG 16 4.045 -6.823 -0.149 148 HH11 ARG 16 1HH1 ARG 16 2.497 -8.568 1.254 149 HH12 ARG 16 2HH1 ARG 16 2.804 -9.989 2.196 150 HH21 ARG 16 1HH2 ARG 16 5.975 -8.869 3.292 151 HH22 ARG 16 2HH2 ARG 16 4.864 -10.174 3.407 152 H TYR 17 H TYR 17 1.049 -1.711 0.845 153 HA TYR 17 HA TYR 17 0.619 -1.013 3.626 154 HD1 TYR 17 HD1 TYR 17 2.663 0.565 0.343 155 HD2 TYR 17 HD2 TYR 17 -1.390 1.757 1.015 156 HE1 TYR 17 HE1 TYR 17 2.438 1.205 -2.107 157 HE2 TYR 17 HE2 TYR 17 -1.602 2.394 -1.438 158 HH TYR 17 HH TYR 17 0.024 3.123 -3.253 159 HB2 TYR 17 1HB TYR 17 0.113 1.370 2.883 160 HB3 TYR 17 2HB TYR 17 1.796 0.955 2.625 161 H ARG 18 H ARG 18 -1.661 -0.215 3.978 162 HA ARG 18 HA ARG 18 -3.362 -1.393 1.930 163 HE ARG 18 HE ARG 18 -4.996 -2.471 5.970 164 HB2 ARG 18 1HB ARG 18 -4.114 -1.045 4.865 165 HB3 ARG 18 2HB ARG 18 -4.903 -2.062 3.676 166 HG2 ARG 18 1HG ARG 18 -2.490 -3.207 3.512 167 HG3 ARG 18 2HG ARG 18 -2.273 -2.501 5.101 168 HD2 ARG 18 1HD ARG 18 -4.365 -4.531 4.228 169 HD3 ARG 18 2HD ARG 18 -3.162 -4.699 5.491 170 HH11 ARG 18 1HH1 ARG 18 -4.547 -5.962 6.377 171 HH12 ARG 18 2HH1 ARG 18 -5.651 -6.075 7.706 172 HH21 ARG 18 1HH2 ARG 18 -6.413 -2.621 7.675 173 HH22 ARG 18 2HH2 ARG 18 -6.761 -4.097 8.481 174 H ARG 19 H ARG 19 -4.906 -0.052 0.996 175 HA ARG 19 HA ARG 19 -5.329 2.488 2.357 176 HE ARG 19 HE ARG 19 -5.758 5.566 0.294 177 HB2 ARG 19 1HB ARG 19 -4.937 1.846 -0.587 178 HB3 ARG 19 2HB ARG 19 -5.841 3.275 -0.127 179 HG2 ARG 19 1HG ARG 19 -3.559 3.381 1.518 180 HG3 ARG 19 2HG ARG 19 -2.937 2.784 -0.008 181 HD2 ARG 19 1HD ARG 19 -2.845 5.212 -0.082 182 HD3 ARG 19 2HD ARG 19 -4.108 4.702 -1.184 183 HH11 ARG 19 1HH1 ARG 19 -2.534 5.778 1.749 184 HH12 ARG 19 2HH1 ARG 19 -3.041 6.842 3.018 185 HH21 ARG 19 1HH2 ARG 19 -6.404 6.929 1.924 186 HH22 ARG 19 2HH2 ARG 19 -5.335 7.528 3.128 187 H CYS 20 H CYS 20 -7.506 3.546 1.711 188 HA CYS 20 HA CYS 20 -9.476 1.455 1.136 189 HB2 CYS 20 1HB CYS 20 -9.548 3.584 3.269 190 HB3 CYS 20 2HB CYS 20 -11.009 2.826 2.667 191 H TRP 21 H TRP 21 -11.579 2.458 0.263 192 HA TRP 21 HA TRP 21 -10.946 4.210 -1.852 193 HD1 TRP 21 1HD TRP 21 -15.556 4.205 -2.550 194 HE1 TRP 21 HE1 TRP 21 -17.334 4.924 -0.737 195 HE3 TRP 21 HE3 TRP 21 -12.489 3.594 1.459 196 HZ2 TRP 21 HZ2 TRP 21 -17.259 5.151 2.107 197 HZ3 TRP 21 HZ3 TRP 21 -13.420 4.086 3.719 198 HH2 TRP 21 2HH TRP 21 -15.717 4.840 4.078 199 HB2 TRP 21 1HB TRP 21 -12.976 3.683 -2.652 200 HB3 TRP 21 2HB TRP 21 -12.835 2.375 -1.494 Start of MODEL 20 1 HA ARG 1 HA ARG 1 -14.241 2.794 -1.621 2 HE ARG 1 HE ARG 1 -16.675 5.249 2.226 3 H1 ARG 1 1H ARG 1 -16.217 3.113 -2.765 4 H2 ARG 1 2H ARG 1 -15.635 1.582 -3.002 5 H3 ARG 1 3H ARG 1 -16.931 1.827 -2.004 6 HB2 ARG 1 1HB ARG 1 -14.976 3.653 0.543 7 HB3 ARG 1 2HB ARG 1 -16.072 4.270 -0.677 8 HG2 ARG 1 1HG ARG 1 -17.493 2.098 -0.111 9 HG3 ARG 1 2HG ARG 1 -16.556 2.087 1.369 10 HD2 ARG 1 1HD ARG 1 -18.039 4.575 0.412 11 HD3 ARG 1 2HD ARG 1 -18.803 3.370 1.429 12 HH11 ARG 1 1HH1 ARG 1 -18.472 2.314 3.070 13 HH12 ARG 1 2HH1 ARG 1 -18.085 2.413 4.756 14 HH21 ARG 1 1HH2 ARG 1 -16.181 5.372 4.389 15 HH22 ARG 1 2HH2 ARG 1 -16.726 4.223 5.544 16 H TRP 2 H TRP 2 -12.935 1.055 -1.139 17 HA TRP 2 HA TRP 2 -13.851 -0.821 0.865 18 HD1 TRP 2 HD1 TRP 2 -11.444 -3.585 -1.851 19 HE1 TRP 2 HE1 TRP 2 -10.409 -3.095 -4.228 20 HE3 TRP 2 HE3 TRP 2 -14.462 0.362 -2.929 21 HZ2 TRP 2 HZ2 TRP 2 -10.957 -1.154 -6.248 22 HZ3 TRP 2 HZ3 TRP 2 -14.147 1.499 -5.125 23 HH2 TRP 2 HH2 TRP 2 -12.467 0.800 -6.758 24 HB2 TRP 2 1HB TRP 2 -13.503 -2.789 -0.417 25 HB3 TRP 2 2HB TRP 2 -14.663 -1.781 -1.259 26 H CYS 3 H CYS 3 -11.866 -2.410 1.287 27 HA CYS 3 HA CYS 3 -9.527 -0.677 1.328 28 HB2 CYS 3 1HB CYS 3 -10.192 -3.163 2.919 29 HB3 CYS 3 2HB CYS 3 -8.685 -2.276 3.041 30 H VAL 4 H VAL 4 -7.476 -1.453 0.529 31 HA VAL 4 HA VAL 4 -7.398 -4.069 -0.689 32 HB VAL 4 HB VAL 4 -7.150 -3.429 -2.886 33 HG11 VAL 4 1HG1 VAL 4 -9.041 -1.914 -3.443 34 HG12 VAL 4 2HG1 VAL 4 -9.473 -3.155 -2.242 35 HG13 VAL 4 3HG1 VAL 4 -9.167 -1.481 -1.722 36 HG21 VAL 4 3HG2 VAL 4 -6.605 -0.616 -1.892 37 HG22 VAL 4 1HG2 VAL 4 -5.472 -1.733 -2.691 38 HG23 VAL 4 2HG2 VAL 4 -6.828 -1.034 -3.608 39 H TYR 5 H TYR 5 -5.181 -4.685 -1.273 40 HA TYR 5 HA TYR 5 -3.267 -3.169 0.338 41 HD1 TYR 5 HD2 TYR 5 -4.528 -4.249 1.914 42 HD2 TYR 5 HD1 TYR 5 -3.877 -7.915 -0.194 43 HE1 TYR 5 HE2 TYR 5 -6.237 -5.412 3.394 44 HE2 TYR 5 HE1 TYR 5 -5.589 -9.066 1.294 45 HH TYR 5 HH TYR 5 -7.787 -7.890 2.750 46 HB2 TYR 5 1HB TYR 5 -2.963 -5.893 -1.038 47 HB3 TYR 5 2HB TYR 5 -2.109 -5.330 0.385 48 H ALA 6 H ALA 6 -1.392 -2.284 -0.514 49 HA ALA 6 HA ALA 6 -0.683 -2.905 -3.248 50 HB1 ALA 6 3HB ALA 6 -1.915 -0.313 -2.360 51 HB2 ALA 6 1HB ALA 6 -0.603 -0.261 -3.561 52 HB3 ALA 6 2HB ALA 6 -2.085 -1.185 -3.902 53 H TYR 7 H TYR 7 1.460 -1.876 -3.811 54 HA TYR 7 HA TYR 7 3.015 -1.477 -1.343 55 HD1 TYR 7 HD2 TYR 7 3.770 -4.236 -0.849 56 HD2 TYR 7 HD1 TYR 7 2.480 -4.075 -4.925 57 HE1 TYR 7 HE2 TYR 7 2.725 -6.542 -0.616 58 HE2 TYR 7 HE1 TYR 7 1.439 -6.382 -4.679 59 HH TYR 7 HH TYR 7 2.145 -8.411 -2.105 60 HB2 TYR 7 1HB TYR 7 3.966 -2.426 -4.103 61 HB3 TYR 7 2HB TYR 7 4.796 -2.643 -2.575 62 H VAL 8 H VAL 8 4.969 -0.084 -1.584 63 HA VAL 8 HA VAL 8 4.806 1.773 -3.826 64 HB VAL 8 HB VAL 8 3.526 3.023 -2.398 65 HG11 VAL 8 1HG1 VAL 8 4.600 3.086 0.168 66 HG12 VAL 8 2HG1 VAL 8 3.169 2.169 -0.358 67 HG13 VAL 8 3HG1 VAL 8 4.765 1.383 -0.322 68 HG21 VAL 8 3HG2 VAL 8 4.932 4.795 -1.417 69 HG22 VAL 8 1HG2 VAL 8 6.364 3.752 -1.597 70 HG23 VAL 8 2HG2 VAL 8 5.493 4.325 -3.039 71 H ARG 9 H ARG 9 6.815 3.091 -4.025 72 HA ARG 9 HA ARG 9 9.024 1.468 -3.126 73 HE ARG 9 HE ARG 9 11.302 5.304 -6.372 74 HB2 ARG 9 1HB ARG 9 9.296 1.851 -5.424 75 HB3 ARG 9 2HB ARG 9 8.562 3.441 -5.358 76 HG2 ARG 9 1HG ARG 9 10.541 4.477 -4.576 77 HG3 ARG 9 2HG ARG 9 11.195 2.982 -3.936 78 HD2 ARG 9 1HD ARG 9 12.289 2.574 -5.884 79 HD3 ARG 9 2HD ARG 9 10.788 2.646 -6.785 80 HH11 ARG 9 1HH1 ARG 9 13.350 2.673 -7.572 81 HH12 ARG 9 2HH1 ARG 9 14.320 3.713 -8.561 82 HH21 ARG 9 1HH2 ARG 9 12.550 6.634 -7.641 83 HH22 ARG 9 2HH2 ARG 9 13.852 6.062 -8.606 84 H ILE 10 H ILE 10 9.922 2.086 -1.179 85 HA ILE 10 HA ILE 10 10.419 4.946 -0.814 86 HB ILE 10 HB ILE 10 9.149 3.083 1.193 87 HG12 ILE 10 1HG1 ILE 10 7.993 4.712 -0.749 88 HG13 ILE 10 2HG1 ILE 10 7.199 4.001 0.642 89 HG21 ILE 10 1HG2 ILE 10 10.159 5.910 1.608 90 HG22 ILE 10 2HG2 ILE 10 9.259 4.925 2.787 91 HG23 ILE 10 3HG2 ILE 10 10.889 4.429 2.272 92 HD11 ILE 10 3HD1 ILE 10 6.845 6.461 0.549 93 HD12 ILE 10 1HD1 ILE 10 7.746 5.995 2.011 94 HD13 ILE 10 2HD1 ILE 10 8.605 6.713 0.627 95 H ARG 11 H ARG 11 12.480 5.391 -0.163 96 HA ARG 11 HA ARG 11 14.541 5.090 0.408 97 HE ARG 11 HE ARG 11 16.351 6.356 2.091 98 HB2 ARG 11 1HB ARG 11 13.314 2.799 1.991 99 HB3 ARG 11 2HB ARG 11 15.048 3.055 2.013 100 HG2 ARG 11 1HG ARG 11 13.388 5.500 2.477 101 HG3 ARG 11 2HG ARG 11 13.299 4.284 3.735 102 HD2 ARG 11 1HD ARG 11 15.214 5.243 4.538 103 HD3 ARG 11 2HD ARG 11 16.026 4.352 3.266 104 HH11 ARG 11 1HH1 ARG 11 13.908 6.879 4.603 105 HH12 ARG 11 2HH1 ARG 11 13.852 8.593 4.366 106 HH21 ARG 11 1HH2 ARG 11 16.276 8.556 1.790 107 HH22 ARG 11 2HH2 ARG 11 15.253 9.594 2.699 108 H GLY 12 H GLY 12 13.642 4.004 -2.110 109 HA3 GLY 12 2HA GLY 12 15.860 2.468 -2.869 110 H VAL 13 H VAL 13 12.906 1.579 -1.245 111 HA VAL 13 HA VAL 13 13.299 -1.213 -2.069 112 HB VAL 13 HB VAL 13 12.503 -0.421 0.715 113 HG11 VAL 13 1HG1 VAL 13 14.147 -2.738 0.602 114 HG12 VAL 13 2HG1 VAL 13 12.409 -2.633 0.972 115 HG13 VAL 13 3HG1 VAL 13 12.949 -2.875 -0.707 116 HG21 VAL 13 3HG2 VAL 13 15.153 -0.090 -0.528 117 HG22 VAL 13 1HG2 VAL 13 14.495 0.594 0.978 118 HG23 VAL 13 2HG2 VAL 13 15.163 -1.056 0.966 119 H LEU 14 H LEU 14 11.320 -2.574 -1.735 120 HA LEU 14 HA LEU 14 8.974 -0.943 -2.341 121 HG LEU 14 HG LEU 14 7.198 -3.679 -3.665 122 HB2 LEU 14 1HB LEU 14 9.934 -2.864 -3.811 123 HB3 LEU 14 2HB LEU 14 9.155 -3.921 -2.650 124 HD11 LEU 14 1HD1 LEU 14 6.919 -1.639 -2.254 125 HD12 LEU 14 2HD1 LEU 14 7.493 -0.665 -3.629 126 HD13 LEU 14 3HD1 LEU 14 5.992 -1.611 -3.773 127 HD21 LEU 14 3HD2 LEU 14 7.083 -2.583 -5.875 128 HD22 LEU 14 1HD2 LEU 14 8.687 -1.868 -5.584 129 HD23 LEU 14 2HD2 LEU 14 8.508 -3.635 -5.700 130 H VAL 15 H VAL 15 7.695 -0.437 -0.651 131 HA VAL 15 HA VAL 15 7.576 -2.378 1.546 132 HB VAL 15 HB VAL 15 6.586 0.428 1.777 133 HG11 VAL 15 1HG1 VAL 15 6.268 -0.524 3.809 134 HG12 VAL 15 2HG1 VAL 15 7.520 -1.763 3.547 135 HG13 VAL 15 3HG1 VAL 15 7.986 -0.115 4.035 136 HG21 VAL 15 3HG2 VAL 15 8.956 1.080 2.482 137 HG22 VAL 15 1HG2 VAL 15 9.499 -0.377 1.615 138 HG23 VAL 15 2HG2 VAL 15 8.652 0.918 0.735 139 H ARG 16 H ARG 16 5.528 -3.020 2.382 140 HA ARG 16 HA ARG 16 3.450 -2.714 0.397 141 HE ARG 16 HE ARG 16 5.436 -6.764 -0.451 142 HB2 ARG 16 1HB ARG 16 3.162 -4.523 2.800 143 HB3 ARG 16 2HB ARG 16 2.573 -4.762 1.167 144 HG2 ARG 16 1HG ARG 16 5.078 -4.930 0.470 145 HG3 ARG 16 2HG ARG 16 5.426 -5.077 2.181 146 HD2 ARG 16 1HD ARG 16 4.709 -7.243 2.245 147 HD3 ARG 16 2HD ARG 16 3.228 -6.863 1.390 148 HH11 ARG 16 1HH1 ARG 16 3.478 -9.098 1.358 149 HH12 ARG 16 2HH1 ARG 16 3.734 -10.380 0.222 150 HH21 ARG 16 1HH2 ARG 16 5.761 -8.411 -1.905 151 HH22 ARG 16 2HH2 ARG 16 5.086 -9.980 -1.715 152 H TYR 17 H TYR 17 1.283 -2.025 0.989 153 HA TYR 17 HA TYR 17 0.876 -1.128 3.719 154 HD1 TYR 17 HD1 TYR 17 -1.517 1.407 1.549 155 HD2 TYR 17 HD2 TYR 17 2.293 0.391 -0.114 156 HE1 TYR 17 HE1 TYR 17 -2.368 1.987 -0.776 157 HE2 TYR 17 HE2 TYR 17 1.428 0.974 -2.432 158 HH TYR 17 HH TYR 17 -1.838 2.285 -2.861 159 HB2 TYR 17 1HB TYR 17 0.486 1.181 2.973 160 HB3 TYR 17 2HB TYR 17 2.026 0.707 2.285 161 H ARG 18 H ARG 18 -1.447 -0.102 3.865 162 HA ARG 18 HA ARG 18 -3.150 -1.444 1.934 163 HE ARG 18 HE ARG 18 -4.868 -3.554 6.238 164 HB2 ARG 18 1HB ARG 18 -3.639 -1.400 4.955 165 HB3 ARG 18 2HB ARG 18 -4.666 -2.170 3.762 166 HG2 ARG 18 1HG ARG 18 -3.138 -3.911 3.354 167 HG3 ARG 18 2HG ARG 18 -1.753 -2.959 3.850 168 HD2 ARG 18 1HD ARG 18 -2.208 -4.650 5.567 169 HD3 ARG 18 2HD ARG 18 -2.546 -3.064 6.233 170 HH11 ARG 18 1HH1 ARG 18 -3.060 -6.133 4.614 171 HH12 ARG 18 2HH1 ARG 18 -4.396 -7.235 4.609 172 HH21 ARG 18 1HH2 ARG 18 -6.578 -4.972 6.229 173 HH22 ARG 18 2HH2 ARG 18 -6.485 -6.553 5.565 174 H ARG 19 H ARG 19 -4.872 -0.161 1.224 175 HA ARG 19 HA ARG 19 -5.464 2.173 2.841 176 HE ARG 19 HE ARG 19 -5.535 5.185 1.502 177 HB2 ARG 19 1HB ARG 19 -4.775 2.095 -0.124 178 HB3 ARG 19 2HB ARG 19 -5.749 3.397 0.530 179 HG2 ARG 19 1HG ARG 19 -3.734 3.431 2.357 180 HG3 ARG 19 2HG ARG 19 -2.848 2.774 0.995 181 HD2 ARG 19 1HD ARG 19 -2.642 5.198 0.909 182 HD3 ARG 19 2HD ARG 19 -3.671 4.706 -0.422 183 HH11 ARG 19 1HH1 ARG 19 -2.739 7.106 0.480 184 HH12 ARG 19 2HH1 ARG 19 -3.469 8.620 0.901 185 HH21 ARG 19 1HH2 ARG 19 -6.467 7.129 2.041 186 HH22 ARG 19 2HH2 ARG 19 -5.679 8.640 1.827 187 H CYS 20 H CYS 20 -7.648 3.164 2.230 188 HA CYS 20 HA CYS 20 -9.355 1.347 0.746 189 HB2 CYS 20 1HB CYS 20 -10.414 2.291 3.368 190 HB3 CYS 20 2HB CYS 20 -10.859 0.891 2.412 191 H TRP 21 H TRP 21 -10.928 2.508 -0.407 192 HA TRP 21 HA TRP 21 -11.087 5.379 0.218 193 HD1 TRP 21 1HD TRP 21 -12.173 3.170 -3.784 194 HE1 TRP 21 HE1 TRP 21 -10.744 1.198 -4.802 195 HE3 TRP 21 HE3 TRP 21 -7.932 4.196 -1.173 196 HZ2 TRP 21 HZ2 TRP 21 -8.061 0.309 -4.410 197 HZ3 TRP 21 HZ3 TRP 21 -5.953 2.727 -1.549 198 HH2 TRP 21 2HH TRP 21 -5.971 0.840 -3.102 199 HB2 TRP 21 1HB TRP 21 -11.650 5.403 -2.375 200 HB3 TRP 21 2HB TRP 21 -10.022 5.576 -1.749
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