NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618758 | 5m9u | 34059 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 1.448 -0.363 -2.028 3 HB2 ARG 1 HB2 ARG 1 3.093 1.395 -2.518 4 HB3 ARG 1 HB3 ARG 1 1.675 2.044 -1.706 5 HG2 ARG 1 HG2 ARG 1 4.062 1.277 -0.093 6 HG3 ARG 1 HG3 ARG 1 4.065 2.794 -0.995 7 HD2 ARG 1 HD2 ARG 1 1.751 3.159 0.134 8 HD3 ARG 1 HD3 ARG 1 2.316 1.940 1.276 9 HE ARG 1 HE ARG 1 3.194 4.661 1.078 10 HH11 ARG 1 HH11 ARG 1 4.110 1.443 2.042 11 HH12 ARG 1 HH12 ARG 1 5.300 1.983 3.181 12 HH21 ARG 1 HH21 ARG 1 4.758 5.383 2.573 13 HH22 ARG 1 HH22 ARG 1 5.667 4.224 3.482 14 H TRP 2 H TRP 2 3.353 -1.137 -3.121 15 HA TRP 2 HA TRP 2 5.546 -2.073 -1.446 16 HB2 TRP 2 HB2 TRP 2 3.691 -3.840 -1.533 17 HB3 TRP 2 HB3 TRP 2 4.115 -4.035 -3.231 18 HD1 TRP 2 HD1 TRP 2 6.671 -4.928 -3.731 19 HE1 TRP 2 HE1 TRP 2 8.162 -6.498 -2.340 20 HE3 TRP 2 HE3 TRP 2 4.273 -4.549 0.768 21 HZ2 TRP 2 HZ2 TRP 2 8.303 -7.450 0.314 22 HZ3 TRP 2 HZ3 TRP 2 5.150 -5.822 2.683 23 HH2 TRP 2 HH2 TRP 2 7.123 -7.243 2.458 24 H CYS 3 H CYS 3 7.451 -1.997 -2.479 25 HA CYS 3 HA CYS 3 7.440 -1.847 -5.418 26 HB2 CYS 3 HB2 CYS 3 8.941 -0.064 -3.494 27 HB3 CYS 3 HB3 CYS 3 9.296 -0.155 -5.216 28 H VAL 4 H VAL 4 8.830 -3.185 -6.375 29 HA VAL 4 HA VAL 4 11.040 -4.290 -4.768 30 HB VAL 4 HB VAL 4 10.739 -6.360 -6.283 31 HG11 VAL 4 HG11 VAL 4 8.657 -5.781 -4.179 32 HG12 VAL 4 HG12 VAL 4 9.218 -7.371 -4.699 33 HG13 VAL 4 HG13 VAL 4 10.316 -6.281 -3.851 34 HG21 VAL 4 HG21 VAL 4 7.994 -5.131 -6.518 35 HG22 VAL 4 HG22 VAL 4 9.143 -5.362 -7.836 36 HG23 VAL 4 HG23 VAL 4 8.439 -6.761 -7.024 37 H TYR 5 H TYR 5 13.012 -4.237 -5.668 38 HA TYR 5 HA TYR 5 13.285 -2.990 -8.278 39 HB2 TYR 5 HB2 TYR 5 15.331 -3.731 -6.179 40 HB3 TYR 5 HB3 TYR 5 15.714 -2.926 -7.697 41 HD1 TYR 5 HD1 TYR 5 14.924 -0.615 -8.105 42 HD2 TYR 5 HD2 TYR 5 14.380 -2.530 -4.344 43 HE1 TYR 5 HE1 TYR 5 14.484 1.569 -7.063 44 HE2 TYR 5 HE2 TYR 5 13.937 -0.351 -3.292 45 HH TYR 5 HH TYR 5 14.485 2.056 -3.746 46 H ALA 6 H ALA 6 14.139 -3.930 -10.074 47 HA ALA 6 HA ALA 6 15.256 -6.612 -9.924 48 HB1 ALA 6 HB1 ALA 6 12.730 -5.972 -11.431 49 HB2 ALA 6 HB2 ALA 6 13.713 -7.403 -11.745 50 HB3 ALA 6 HB3 ALA 6 12.963 -7.178 -10.165 51 H TYR 7 H TYR 7 16.087 -7.333 -12.075 52 HA TYR 7 HA TYR 7 17.065 -5.005 -13.590 53 HB2 TYR 7 HB2 TYR 7 18.333 -7.558 -12.742 54 HB3 TYR 7 HB3 TYR 7 18.806 -6.907 -14.307 55 HD1 TYR 7 HD1 TYR 7 19.809 -4.613 -14.425 56 HD2 TYR 7 HD2 TYR 7 19.129 -6.602 -10.725 57 HE1 TYR 7 HE1 TYR 7 21.374 -3.074 -13.317 58 HE2 TYR 7 HE2 TYR 7 20.692 -5.067 -9.607 59 HH TYR 7 HH TYR 7 22.820 -3.074 -11.273 60 H ARG 8 H ARG 8 17.292 -5.197 -15.875 61 HA ARG 8 HA ARG 8 16.086 -7.455 -17.222 62 HB2 ARG 8 HB2 ARG 8 14.434 -6.046 -18.433 63 HB3 ARG 8 HB3 ARG 8 14.096 -6.190 -16.713 64 HG2 ARG 8 HG2 ARG 8 13.762 -3.960 -16.982 65 HG3 ARG 8 HG3 ARG 8 15.487 -3.950 -16.610 66 HD2 ARG 8 HD2 ARG 8 14.920 -2.524 -18.540 67 HD3 ARG 8 HD3 ARG 8 16.031 -3.827 -18.960 68 HE ARG 8 HE ARG 8 14.455 -4.633 -20.396 69 HH11 ARG 8 HH11 ARG 8 12.895 -2.544 -18.090 70 HH12 ARG 8 HH12 ARG 8 11.350 -2.619 -18.870 71 HH21 ARG 8 HH21 ARG 8 12.426 -4.740 -21.433 72 HH22 ARG 8 HH22 ARG 8 11.084 -3.869 -20.771 73 H ARG 9 H ARG 9 16.437 -7.440 -19.505 74 HA ARG 9 HA ARG 9 18.734 -5.788 -20.257 75 HB2 ARG 9 HB2 ARG 9 17.933 -8.511 -20.767 76 HB3 ARG 9 HB3 ARG 9 18.208 -7.666 -22.284 77 HG2 ARG 9 HG2 ARG 9 20.293 -8.511 -21.839 78 HG3 ARG 9 HG3 ARG 9 20.414 -6.895 -21.139 79 HD2 ARG 9 HD2 ARG 9 21.335 -8.618 -19.652 80 HD3 ARG 9 HD3 ARG 9 19.956 -7.789 -18.932 81 HE ARG 9 HE ARG 9 18.778 -9.761 -18.978 82 HH11 ARG 9 HH11 ARG 9 21.661 -10.075 -20.904 83 HH12 ARG 9 HH12 ARG 9 21.495 -11.788 -21.107 84 HH21 ARG 9 HH21 ARG 9 18.548 -12.016 -19.239 85 HH22 ARG 9 HH22 ARG 9 19.724 -12.890 -20.161 86 H VAL 10 H VAL 10 18.726 -4.415 -21.976 87 HA VAL 10 HA VAL 10 16.389 -4.312 -23.722 88 HB VAL 10 HB VAL 10 15.666 -2.771 -22.083 89 HG11 VAL 10 HG11 VAL 10 17.049 -0.972 -21.194 90 HG12 VAL 10 HG12 VAL 10 17.789 -2.544 -20.884 91 HG13 VAL 10 HG13 VAL 10 18.407 -1.516 -22.177 92 HG21 VAL 10 HG21 VAL 10 15.573 -0.691 -23.275 93 HG22 VAL 10 HG22 VAL 10 17.025 -1.095 -24.190 94 HG23 VAL 10 HG23 VAL 10 15.538 -2.005 -24.451 95 H ARG 11 H ARG 11 17.153 -4.293 -25.722 96 HA ARG 11 HA ARG 11 18.466 -3.909 -27.540 97 HB2 ARG 11 HB2 ARG 11 19.106 -1.410 -25.968 98 HB3 ARG 11 HB3 ARG 11 19.608 -1.678 -27.632 99 HG2 ARG 11 HG2 ARG 11 16.738 -1.707 -26.733 100 HG3 ARG 11 HG3 ARG 11 17.562 -0.276 -27.355 101 HD2 ARG 11 HD2 ARG 11 17.687 -2.766 -28.969 102 HD3 ARG 11 HD3 ARG 11 16.156 -1.892 -28.922 103 HE ARG 11 HE ARG 11 17.156 -0.109 -30.046 104 HH11 ARG 11 HH11 ARG 11 19.440 -2.649 -29.375 105 HH12 ARG 11 HH12 ARG 11 20.632 -2.047 -30.479 106 HH21 ARG 11 HH21 ARG 11 18.717 0.693 -31.503 107 HH22 ARG 11 HH22 ARG 11 20.220 -0.146 -31.688 108 H GLY 12 H GLY 12 19.564 -5.260 -25.067 109 HA2 GLY 12 HA2 GLY 12 21.560 -6.494 -24.922 110 HA3 GLY 12 HA3 GLY 12 22.324 -5.344 -26.009 111 H VAL 13 H VAL 13 20.534 -3.991 -23.424 112 HA VAL 13 HA VAL 13 22.993 -3.617 -21.849 113 HB VAL 13 HB VAL 13 20.975 -1.415 -22.039 114 HG11 VAL 13 HG11 VAL 13 22.906 -1.546 -20.362 115 HG12 VAL 13 HG12 VAL 13 23.954 -1.206 -21.741 116 HG13 VAL 13 HG13 VAL 13 22.709 -0.048 -21.270 117 HG21 VAL 13 HG21 VAL 13 21.484 -1.870 -24.349 118 HG22 VAL 13 HG22 VAL 13 22.327 -0.401 -23.855 119 HG23 VAL 13 HG23 VAL 13 23.212 -1.920 -23.998 120 H LEU 14 H LEU 14 22.784 -3.976 -19.726 121 HA LEU 14 HA LEU 14 20.163 -4.711 -18.705 122 HB2 LEU 14 HB2 LEU 14 22.069 -6.174 -18.277 123 HB3 LEU 14 HB3 LEU 14 22.896 -4.862 -17.440 124 HG LEU 14 HG LEU 14 21.326 -4.936 -15.634 125 HD11 LEU 14 HD11 LEU 14 19.670 -6.283 -17.591 126 HD12 LEU 14 HD12 LEU 14 19.215 -5.451 -16.105 127 HD13 LEU 14 HD13 LEU 14 19.710 -7.142 -16.052 128 HD21 LEU 14 HD21 LEU 14 22.362 -6.669 -14.701 129 HD22 LEU 14 HD22 LEU 14 23.055 -7.011 -16.286 130 HD23 LEU 14 HD23 LEU 14 21.567 -7.814 -15.782 131 H VAL 15 H VAL 15 18.937 -3.429 -17.494 132 HA VAL 15 HA VAL 15 20.198 -1.099 -16.198 133 HB VAL 15 HB VAL 15 18.070 0.118 -16.518 134 HG11 VAL 15 HG11 VAL 15 19.936 0.383 -18.099 135 HG12 VAL 15 HG12 VAL 15 19.257 -0.905 -19.096 136 HG13 VAL 15 HG13 VAL 15 18.368 0.603 -18.876 137 HG21 VAL 15 HG21 VAL 15 16.510 -1.691 -16.679 138 HG22 VAL 15 HG22 VAL 15 16.455 -0.787 -18.193 139 HG23 VAL 15 HG23 VAL 15 17.315 -2.325 -18.115 140 H ARG 16 H ARG 16 19.057 -0.287 -14.291 141 HA ARG 16 HA ARG 16 17.861 -2.501 -12.771 142 HB2 ARG 16 HB2 ARG 16 19.884 -1.676 -11.760 143 HB3 ARG 16 HB3 ARG 16 19.315 -0.015 -11.862 144 HG2 ARG 16 HG2 ARG 16 17.346 -1.007 -10.382 145 HG3 ARG 16 HG3 ARG 16 18.614 -2.151 -9.936 146 HD2 ARG 16 HD2 ARG 16 18.512 -0.224 -8.410 147 HD3 ARG 16 HD3 ARG 16 20.058 -0.332 -9.252 148 HE ARG 16 HE ARG 16 18.215 1.368 -10.611 149 HH11 ARG 16 HH11 ARG 16 20.454 1.219 -7.949 150 HH12 ARG 16 HH12 ARG 16 20.765 2.923 -7.945 151 HH21 ARG 16 HH21 ARG 16 18.616 3.614 -10.615 152 HH22 ARG 16 HH22 ARG 16 19.718 4.285 -9.461 153 H TYR 17 H TYR 17 15.726 -2.427 -12.615 154 HA TYR 17 HA TYR 17 14.435 0.191 -12.235 155 HB2 TYR 17 HB2 TYR 17 12.627 -0.412 -13.658 156 HB3 TYR 17 HB3 TYR 17 14.098 -0.792 -14.546 157 HD1 TYR 17 HD1 TYR 17 14.920 -3.244 -14.430 158 HD2 TYR 17 HD2 TYR 17 10.974 -2.031 -13.403 159 HE1 TYR 17 HE1 TYR 17 14.133 -5.552 -14.756 160 HE2 TYR 17 HE2 TYR 17 10.175 -4.335 -13.725 161 HH TYR 17 HH TYR 17 11.935 -6.913 -13.697 162 H ARG 18 H ARG 18 11.867 -0.624 -11.800 163 HA ARG 18 HA ARG 18 11.786 -2.746 -9.852 164 HB2 ARG 18 HB2 ARG 18 11.304 -1.461 -7.926 165 HB3 ARG 18 HB3 ARG 18 12.729 -0.720 -8.641 166 HG2 ARG 18 HG2 ARG 18 9.906 0.275 -8.968 167 HG3 ARG 18 HG3 ARG 18 11.104 0.935 -7.852 168 HD2 ARG 18 HD2 ARG 18 11.086 1.002 -10.852 169 HD3 ARG 18 HD3 ARG 18 11.186 2.349 -9.719 170 HE ARG 18 HE ARG 18 13.397 0.446 -9.766 171 HH11 ARG 18 HH11 ARG 18 12.137 3.578 -10.616 172 HH12 ARG 18 HH12 ARG 18 13.697 4.268 -10.919 173 HH21 ARG 18 HH21 ARG 18 15.457 1.343 -10.161 174 HH22 ARG 18 HH22 ARG 18 15.585 2.996 -10.660 175 H ARG 19 H ARG 19 9.523 -2.659 -8.710 176 HA ARG 19 HA ARG 19 7.494 -1.689 -10.599 177 HB2 ARG 19 HB2 ARG 19 7.847 -4.042 -11.113 178 HB3 ARG 19 HB3 ARG 19 7.632 -4.468 -9.420 179 HG2 ARG 19 HG2 ARG 19 5.553 -4.960 -10.153 180 HG3 ARG 19 HG3 ARG 19 5.303 -3.245 -9.823 181 HD2 ARG 19 HD2 ARG 19 6.274 -4.104 -12.512 182 HD3 ARG 19 HD3 ARG 19 4.566 -4.276 -12.110 183 HE ARG 19 HE ARG 19 5.983 -1.837 -12.646 184 HH11 ARG 19 HH11 ARG 19 3.242 -3.253 -11.034 185 HH12 ARG 19 HH12 ARG 19 2.320 -1.785 -11.032 186 HH21 ARG 19 HH21 ARG 19 4.780 0.101 -12.650 187 HH22 ARG 19 HH22 ARG 19 3.196 0.121 -11.953 188 H CYS 20 H CYS 20 5.966 -0.553 -9.611 189 HA CYS 20 HA CYS 20 5.515 -1.015 -6.735 190 HB2 CYS 20 HB2 CYS 20 5.420 1.564 -8.307 191 HB3 CYS 20 HB3 CYS 20 4.834 1.407 -6.655 192 H TRP 21 H TRP 21 3.601 -1.881 -6.333 193 HA TRP 21 HA TRP 21 1.326 -1.122 -8.044 194 HB2 TRP 21 HB2 TRP 21 0.418 -3.392 -7.721 195 HB3 TRP 21 HB3 TRP 21 1.983 -3.423 -8.528 196 HD1 TRP 21 HD1 TRP 21 0.335 -4.284 -5.170 197 HE1 TRP 21 HE1 TRP 21 1.882 -5.896 -3.893 198 HE3 TRP 21 HE3 TRP 21 4.384 -4.165 -8.289 199 HZ2 TRP 21 HZ2 TRP 21 4.476 -6.974 -4.170 200 HZ3 TRP 21 HZ3 TRP 21 6.359 -5.515 -7.710 201 HH2 TRP 21 HH2 TRP 21 6.402 -6.889 -5.693 Start of MODEL 2 1 H ARG 1 H ARG 1 1.563 0.849 0.996 2 HA ARG 1 HA ARG 1 1.615 -0.303 -1.571 3 HB2 ARG 1 HB2 ARG 1 3.504 1.781 -0.466 4 HB3 ARG 1 HB3 ARG 1 3.150 1.477 -2.161 5 HG2 ARG 1 HG2 ARG 1 1.117 2.411 -0.148 6 HG3 ARG 1 HG3 ARG 1 2.018 3.476 -1.230 7 HD2 ARG 1 HD2 ARG 1 1.100 2.131 -3.145 8 HD3 ARG 1 HD3 ARG 1 0.054 1.320 -1.981 9 HE ARG 1 HE ARG 1 -0.250 4.107 -1.732 10 HH11 ARG 1 HH11 ARG 1 -0.993 1.495 -3.910 11 HH12 ARG 1 HH12 ARG 1 -2.399 2.267 -4.565 12 HH21 ARG 1 HH21 ARG 1 -2.098 5.134 -2.586 13 HH22 ARG 1 HH22 ARG 1 -3.026 4.338 -3.811 14 H TRP 2 H TRP 2 3.328 -1.225 -2.753 15 HA TRP 2 HA TRP 2 5.654 -2.140 -1.229 16 HB2 TRP 2 HB2 TRP 2 3.803 -3.894 -1.221 17 HB3 TRP 2 HB3 TRP 2 4.075 -4.046 -2.955 18 HD1 TRP 2 HD1 TRP 2 6.697 -4.784 -3.643 19 HE1 TRP 2 HE1 TRP 2 8.233 -6.473 -2.454 20 HE3 TRP 2 HE3 TRP 2 4.393 -4.903 0.919 21 HZ2 TRP 2 HZ2 TRP 2 8.440 -7.694 0.083 22 HZ3 TRP 2 HZ3 TRP 2 5.323 -6.358 2.672 23 HH2 TRP 2 HH2 TRP 2 7.304 -7.724 2.261 24 H CYS 3 H CYS 3 7.507 -2.360 -2.417 25 HA CYS 3 HA CYS 3 7.338 -2.085 -5.328 26 HB2 CYS 3 HB2 CYS 3 9.054 -0.337 -3.551 27 HB3 CYS 3 HB3 CYS 3 9.110 -0.362 -5.310 28 H VAL 4 H VAL 4 8.767 -3.320 -6.395 29 HA VAL 4 HA VAL 4 10.990 -4.501 -4.862 30 HB VAL 4 HB VAL 4 10.665 -6.516 -6.434 31 HG11 VAL 4 HG11 VAL 4 10.246 -6.510 -3.999 32 HG12 VAL 4 HG12 VAL 4 8.584 -6.004 -4.312 33 HG13 VAL 4 HG13 VAL 4 9.152 -7.575 -4.880 34 HG21 VAL 4 HG21 VAL 4 7.931 -5.256 -6.631 35 HG22 VAL 4 HG22 VAL 4 9.074 -5.479 -7.956 36 HG23 VAL 4 HG23 VAL 4 8.351 -6.883 -7.170 37 H TYR 5 H TYR 5 12.946 -4.378 -5.779 38 HA TYR 5 HA TYR 5 13.176 -3.052 -8.353 39 HB2 TYR 5 HB2 TYR 5 15.247 -3.847 -6.299 40 HB3 TYR 5 HB3 TYR 5 15.618 -3.009 -7.802 41 HD1 TYR 5 HD1 TYR 5 14.599 -0.717 -8.184 42 HD2 TYR 5 HD2 TYR 5 14.541 -2.657 -4.398 43 HE1 TYR 5 HE1 TYR 5 14.170 1.444 -7.090 44 HE2 TYR 5 HE2 TYR 5 14.110 -0.502 -3.293 45 HH TYR 5 HH TYR 5 14.676 2.113 -4.080 46 H ALA 6 H ALA 6 13.977 -3.933 -10.195 47 HA ALA 6 HA ALA 6 15.085 -6.632 -10.142 48 HB1 ALA 6 HB1 ALA 6 12.846 -7.228 -10.465 49 HB2 ALA 6 HB2 ALA 6 12.548 -5.873 -11.554 50 HB3 ALA 6 HB3 ALA 6 13.539 -7.231 -12.087 51 H TYR 7 H TYR 7 15.865 -7.280 -12.364 52 HA TYR 7 HA TYR 7 16.838 -4.905 -13.815 53 HB2 TYR 7 HB2 TYR 7 18.246 -7.351 -12.872 54 HB3 TYR 7 HB3 TYR 7 18.734 -6.687 -14.427 55 HD1 TYR 7 HD1 TYR 7 19.582 -4.333 -14.539 56 HD2 TYR 7 HD2 TYR 7 18.887 -6.315 -10.839 57 HE1 TYR 7 HE1 TYR 7 20.990 -2.674 -13.393 58 HE2 TYR 7 HE2 TYR 7 20.292 -4.661 -9.682 59 HH TYR 7 HH TYR 7 22.193 -3.094 -10.319 60 H ARG 8 H ARG 8 17.150 -5.121 -16.084 61 HA ARG 8 HA ARG 8 16.116 -7.486 -17.408 62 HB2 ARG 8 HB2 ARG 8 14.428 -6.279 -18.690 63 HB3 ARG 8 HB3 ARG 8 14.089 -6.170 -16.968 64 HG2 ARG 8 HG2 ARG 8 13.711 -4.014 -17.632 65 HG3 ARG 8 HG3 ARG 8 15.405 -3.922 -17.147 66 HD2 ARG 8 HD2 ARG 8 16.153 -3.720 -19.295 67 HD3 ARG 8 HD3 ARG 8 14.805 -4.637 -19.965 68 HE ARG 8 HE ARG 8 14.966 -1.823 -19.701 69 HH11 ARG 8 HH11 ARG 8 12.732 -4.481 -19.444 70 HH12 ARG 8 HH12 ARG 8 11.343 -3.521 -19.833 71 HH21 ARG 8 HH21 ARG 8 13.145 -0.549 -20.214 72 HH22 ARG 8 HH22 ARG 8 11.579 -1.285 -20.271 73 H ARG 9 H ARG 9 16.582 -7.543 -19.667 74 HA ARG 9 HA ARG 9 18.867 -5.856 -20.367 75 HB2 ARG 9 HB2 ARG 9 18.117 -8.605 -20.865 76 HB3 ARG 9 HB3 ARG 9 18.495 -7.778 -22.371 77 HG2 ARG 9 HG2 ARG 9 20.549 -8.599 -21.770 78 HG3 ARG 9 HG3 ARG 9 20.608 -6.976 -21.078 79 HD2 ARG 9 HD2 ARG 9 21.433 -8.671 -19.509 80 HD3 ARG 9 HD3 ARG 9 19.992 -7.857 -18.901 81 HE ARG 9 HE ARG 9 18.849 -9.846 -19.017 82 HH11 ARG 9 HH11 ARG 9 21.869 -10.132 -20.725 83 HH12 ARG 9 HH12 ARG 9 21.742 -11.848 -20.927 84 HH21 ARG 9 HH21 ARG 9 18.671 -12.105 -19.276 85 HH22 ARG 9 HH22 ARG 9 19.922 -12.969 -20.104 86 H VAL 10 H VAL 10 18.907 -4.519 -22.111 87 HA VAL 10 HA VAL 10 16.655 -4.510 -23.969 88 HB VAL 10 HB VAL 10 15.831 -2.956 -22.377 89 HG11 VAL 10 HG11 VAL 10 17.300 -2.118 -20.921 90 HG12 VAL 10 HG12 VAL 10 18.647 -2.308 -22.045 91 HG13 VAL 10 HG13 VAL 10 17.622 -0.875 -22.129 92 HG21 VAL 10 HG21 VAL 10 15.442 -1.147 -23.733 93 HG22 VAL 10 HG22 VAL 10 17.119 -1.049 -24.271 94 HG23 VAL 10 HG23 VAL 10 16.058 -2.303 -24.914 95 H ARG 11 H ARG 11 17.733 -4.796 -25.822 96 HA ARG 11 HA ARG 11 19.124 -4.418 -27.581 97 HB2 ARG 11 HB2 ARG 11 19.639 -1.723 -26.318 98 HB3 ARG 11 HB3 ARG 11 19.864 -2.164 -28.005 99 HG2 ARG 11 HG2 ARG 11 17.411 -2.555 -28.163 100 HG3 ARG 11 HG3 ARG 11 17.257 -1.923 -26.522 101 HD2 ARG 11 HD2 ARG 11 18.412 -0.430 -28.875 102 HD3 ARG 11 HD3 ARG 11 16.785 -0.218 -28.230 103 HE ARG 11 HE ARG 11 18.497 0.191 -26.111 104 HH11 ARG 11 HH11 ARG 11 17.952 1.614 -29.241 105 HH12 ARG 11 HH12 ARG 11 18.472 3.194 -28.758 106 HH21 ARG 11 HH21 ARG 11 19.184 2.268 -25.462 107 HH22 ARG 11 HH22 ARG 11 19.173 3.565 -26.609 108 H GLY 12 H GLY 12 20.149 -5.654 -25.175 109 HA2 GLY 12 HA2 GLY 12 22.222 -6.571 -24.669 110 HA3 GLY 12 HA3 GLY 12 22.965 -5.435 -25.786 111 H VAL 13 H VAL 13 20.834 -4.132 -23.424 112 HA VAL 13 HA VAL 13 23.125 -3.334 -21.754 113 HB VAL 13 HB VAL 13 20.812 -1.483 -22.240 114 HG11 VAL 13 HG11 VAL 13 23.400 -0.284 -21.864 115 HG12 VAL 13 HG12 VAL 13 21.935 -0.116 -20.895 116 HG13 VAL 13 HG13 VAL 13 23.059 -1.437 -20.574 117 HG21 VAL 13 HG21 VAL 13 22.225 -0.342 -23.942 118 HG22 VAL 13 HG22 VAL 13 23.317 -1.726 -23.902 119 HG23 VAL 13 HG23 VAL 13 21.652 -1.933 -24.445 120 H LEU 14 H LEU 14 22.840 -3.483 -19.601 121 HA LEU 14 HA LEU 14 20.293 -4.556 -18.660 122 HB2 LEU 14 HB2 LEU 14 22.388 -5.718 -18.093 123 HB3 LEU 14 HB3 LEU 14 22.935 -4.280 -17.233 124 HG LEU 14 HG LEU 14 21.282 -4.570 -15.540 125 HD11 LEU 14 HD11 LEU 14 19.971 -6.934 -15.965 126 HD12 LEU 14 HD12 LEU 14 19.993 -6.216 -17.575 127 HD13 LEU 14 HD13 LEU 14 19.294 -5.326 -16.222 128 HD21 LEU 14 HD21 LEU 14 21.769 -7.015 -14.869 129 HD22 LEU 14 HD22 LEU 14 23.117 -5.885 -15.000 130 HD23 LEU 14 HD23 LEU 14 22.801 -7.036 -16.299 131 H VAL 15 H VAL 15 18.857 -3.359 -17.608 132 HA VAL 15 HA VAL 15 19.758 -0.822 -16.405 133 HB VAL 15 HB VAL 15 17.686 0.207 -16.963 134 HG11 VAL 15 HG11 VAL 15 18.601 -1.383 -19.357 135 HG12 VAL 15 HG12 VAL 15 17.702 0.135 -19.391 136 HG13 VAL 15 HG13 VAL 15 19.351 0.099 -18.766 137 HG21 VAL 15 HG21 VAL 15 16.801 -2.533 -17.850 138 HG22 VAL 15 HG22 VAL 15 16.137 -1.561 -16.537 139 HG23 VAL 15 HG23 VAL 15 15.916 -1.050 -18.210 140 H ARG 16 H ARG 16 18.746 -0.151 -14.472 141 HA ARG 16 HA ARG 16 17.618 -2.377 -12.924 142 HB2 ARG 16 HB2 ARG 16 19.734 -1.097 -12.194 143 HB3 ARG 16 HB3 ARG 16 18.633 0.207 -11.768 144 HG2 ARG 16 HG2 ARG 16 18.096 -2.526 -10.721 145 HG3 ARG 16 HG3 ARG 16 19.382 -1.562 -9.992 146 HD2 ARG 16 HD2 ARG 16 16.747 -0.264 -10.430 147 HD3 ARG 16 HD3 ARG 16 16.873 -1.454 -9.134 148 HE ARG 16 HE ARG 16 17.940 1.191 -9.141 149 HH11 ARG 16 HH11 ARG 16 18.463 -2.040 -7.954 150 HH12 ARG 16 HH12 ARG 16 19.370 -1.525 -6.570 151 HH21 ARG 16 HH21 ARG 16 19.133 1.881 -7.324 152 HH22 ARG 16 HH22 ARG 16 19.750 0.706 -6.213 153 H TYR 17 H TYR 17 15.488 -2.381 -12.700 154 HA TYR 17 HA TYR 17 14.103 0.191 -12.349 155 HB2 TYR 17 HB2 TYR 17 12.285 -0.518 -13.731 156 HB3 TYR 17 HB3 TYR 17 13.764 -0.786 -14.646 157 HD1 TYR 17 HD1 TYR 17 14.708 -3.140 -14.743 158 HD2 TYR 17 HD2 TYR 17 10.795 -2.286 -13.308 159 HE1 TYR 17 HE1 TYR 17 14.074 -5.491 -15.090 160 HE2 TYR 17 HE2 TYR 17 10.150 -4.634 -13.649 161 HH TYR 17 HH TYR 17 12.104 -6.840 -15.401 162 H ARG 18 H ARG 18 11.572 -0.711 -11.879 163 HA ARG 18 HA ARG 18 11.582 -2.826 -9.923 164 HB2 ARG 18 HB2 ARG 18 11.062 -1.541 -7.996 165 HB3 ARG 18 HB3 ARG 18 12.486 -0.799 -8.712 166 HG2 ARG 18 HG2 ARG 18 9.660 0.185 -9.053 167 HG3 ARG 18 HG3 ARG 18 10.851 0.854 -7.935 168 HD2 ARG 18 HD2 ARG 18 10.869 0.889 -10.938 169 HD3 ARG 18 HD3 ARG 18 10.911 2.255 -9.824 170 HE ARG 18 HE ARG 18 13.169 0.406 -9.798 171 HH11 ARG 18 HH11 ARG 18 11.851 3.496 -10.712 172 HH12 ARG 18 HH12 ARG 18 13.400 4.221 -10.990 173 HH21 ARG 18 HH21 ARG 18 15.214 1.350 -10.160 174 HH22 ARG 18 HH22 ARG 18 15.312 2.999 -10.676 175 H ARG 19 H ARG 19 9.279 -2.358 -8.589 176 HA ARG 19 HA ARG 19 7.216 -1.567 -10.476 177 HB2 ARG 19 HB2 ARG 19 7.563 -3.884 -11.095 178 HB3 ARG 19 HB3 ARG 19 7.446 -4.386 -9.413 179 HG2 ARG 19 HG2 ARG 19 5.178 -4.212 -9.370 180 HG3 ARG 19 HG3 ARG 19 5.142 -2.932 -10.584 181 HD2 ARG 19 HD2 ARG 19 5.520 -4.484 -12.348 182 HD3 ARG 19 HD3 ARG 19 5.886 -5.780 -11.210 183 HE ARG 19 HE ARG 19 3.645 -6.170 -11.001 184 HH11 ARG 19 HH11 ARG 19 4.115 -3.012 -12.389 185 HH12 ARG 19 HH12 ARG 19 2.432 -2.758 -12.708 186 HH21 ARG 19 HH21 ARG 19 1.425 -5.847 -11.416 187 HH22 ARG 19 HH22 ARG 19 0.902 -4.371 -12.153 188 H CYS 20 H CYS 20 6.038 -0.225 -9.285 189 HA CYS 20 HA CYS 20 5.525 -0.907 -6.469 190 HB2 CYS 20 HB2 CYS 20 5.422 1.761 -7.889 191 HB3 CYS 20 HB3 CYS 20 4.964 1.511 -6.208 192 H TRP 21 H TRP 21 3.582 -1.683 -6.022 193 HA TRP 21 HA TRP 21 1.306 -0.822 -7.684 194 HB2 TRP 21 HB2 TRP 21 0.330 -3.023 -7.465 195 HB3 TRP 21 HB3 TRP 21 1.969 -3.190 -8.088 196 HD1 TRP 21 HD1 TRP 21 -0.074 -3.767 -4.880 197 HE1 TRP 21 HE1 TRP 21 1.186 -5.464 -3.412 198 HE3 TRP 21 HE3 TRP 21 4.227 -4.170 -7.614 199 HZ2 TRP 21 HZ2 TRP 21 3.674 -6.797 -3.412 200 HZ3 TRP 21 HZ3 TRP 21 5.998 -5.678 -6.811 201 HH2 TRP 21 HH2 TRP 21 5.725 -6.962 -4.752 Start of MODEL 3 1 H ARG 1 H ARG 1 1.121 0.655 -0.062 2 HA ARG 1 HA ARG 1 1.088 -0.581 -2.736 3 HB2 ARG 1 HB2 ARG 1 2.117 2.044 -1.751 4 HB3 ARG 1 HB3 ARG 1 2.952 1.263 -3.088 5 HG2 ARG 1 HG2 ARG 1 1.321 2.844 -3.915 6 HG3 ARG 1 HG3 ARG 1 0.854 1.199 -4.351 7 HD2 ARG 1 HD2 ARG 1 -0.200 2.362 -1.821 8 HD3 ARG 1 HD3 ARG 1 -0.890 2.905 -3.350 9 HE ARG 1 HE ARG 1 -0.840 0.120 -3.385 10 HH11 ARG 1 HH11 ARG 1 -2.388 2.692 -1.622 11 HH12 ARG 1 HH12 ARG 1 -3.812 1.770 -1.270 12 HH21 ARG 1 HH21 ARG 1 -2.710 -1.104 -2.928 13 HH22 ARG 1 HH22 ARG 1 -3.994 -0.390 -2.013 14 H TRP 2 H TRP 2 3.182 -1.270 -3.579 15 HA TRP 2 HA TRP 2 5.327 -1.681 -1.678 16 HB2 TRP 2 HB2 TRP 2 3.785 -3.577 -1.240 17 HB3 TRP 2 HB3 TRP 2 3.933 -4.059 -2.927 18 HD1 TRP 2 HD1 TRP 2 6.654 -4.570 -3.668 19 HE1 TRP 2 HE1 TRP 2 8.376 -5.938 -2.330 20 HE3 TRP 2 HE3 TRP 2 4.476 -4.321 0.951 21 HZ2 TRP 2 HZ2 TRP 2 8.760 -6.798 0.331 22 HZ3 TRP 2 HZ3 TRP 2 5.585 -5.443 2.839 23 HH2 TRP 2 HH2 TRP 2 7.682 -6.656 2.534 24 H CYS 3 H CYS 3 7.272 -1.769 -2.659 25 HA CYS 3 HA CYS 3 7.294 -2.053 -5.593 26 HB2 CYS 3 HB2 CYS 3 9.107 -0.310 -3.911 27 HB3 CYS 3 HB3 CYS 3 9.141 -0.454 -5.665 28 H VAL 4 H VAL 4 9.370 -2.798 -6.494 29 HA VAL 4 HA VAL 4 11.122 -4.246 -4.683 30 HB VAL 4 HB VAL 4 10.890 -6.322 -6.179 31 HG11 VAL 4 HG11 VAL 4 8.673 -5.551 -4.284 32 HG12 VAL 4 HG12 VAL 4 9.039 -7.196 -4.811 33 HG13 VAL 4 HG13 VAL 4 10.213 -6.294 -3.852 34 HG21 VAL 4 HG21 VAL 4 8.248 -4.988 -6.764 35 HG22 VAL 4 HG22 VAL 4 9.536 -5.295 -7.929 36 HG23 VAL 4 HG23 VAL 4 8.679 -6.645 -7.186 37 H TYR 5 H TYR 5 13.166 -4.213 -5.388 38 HA TYR 5 HA TYR 5 13.733 -2.974 -7.940 39 HB2 TYR 5 HB2 TYR 5 15.765 -4.030 -5.980 40 HB3 TYR 5 HB3 TYR 5 15.969 -2.758 -7.180 41 HD1 TYR 5 HD1 TYR 5 15.269 -3.472 -3.778 42 HD2 TYR 5 HD2 TYR 5 14.524 -0.626 -6.852 43 HE1 TYR 5 HE1 TYR 5 14.713 -1.786 -2.075 44 HE2 TYR 5 HE2 TYR 5 13.967 1.068 -5.158 45 HH TYR 5 HH TYR 5 13.457 0.286 -1.877 46 H ALA 6 H ALA 6 14.589 -3.928 -9.712 47 HA ALA 6 HA ALA 6 15.663 -6.611 -9.603 48 HB1 ALA 6 HB1 ALA 6 13.378 -7.221 -9.765 49 HB2 ALA 6 HB2 ALA 6 13.074 -6.015 -11.016 50 HB3 ALA 6 HB3 ALA 6 14.070 -7.426 -11.374 51 H TYR 7 H TYR 7 16.011 -7.342 -12.054 52 HA TYR 7 HA TYR 7 17.155 -5.012 -13.451 53 HB2 TYR 7 HB2 TYR 7 18.240 -7.733 -12.905 54 HB3 TYR 7 HB3 TYR 7 18.661 -6.977 -14.437 55 HD1 TYR 7 HD1 TYR 7 19.144 -6.932 -10.831 56 HD2 TYR 7 HD2 TYR 7 19.970 -4.888 -14.471 57 HE1 TYR 7 HE1 TYR 7 20.914 -5.649 -9.703 58 HE2 TYR 7 HE2 TYR 7 21.742 -3.601 -13.353 59 HH TYR 7 HH TYR 7 22.228 -2.891 -10.894 60 H ARG 8 H ARG 8 17.226 -5.115 -15.771 61 HA ARG 8 HA ARG 8 15.618 -7.130 -17.099 62 HB2 ARG 8 HB2 ARG 8 14.118 -5.470 -18.143 63 HB3 ARG 8 HB3 ARG 8 13.909 -5.556 -16.400 64 HG2 ARG 8 HG2 ARG 8 13.913 -3.299 -16.692 65 HG3 ARG 8 HG3 ARG 8 15.636 -3.573 -16.427 66 HD2 ARG 8 HD2 ARG 8 15.154 -2.076 -18.345 67 HD3 ARG 8 HD3 ARG 8 16.064 -3.520 -18.790 68 HE ARG 8 HE ARG 8 14.325 -4.140 -20.131 69 HH11 ARG 8 HH11 ARG 8 13.178 -1.797 -17.825 70 HH12 ARG 8 HH12 ARG 8 11.606 -1.669 -18.541 71 HH21 ARG 8 HH21 ARG 8 12.258 -3.980 -21.082 72 HH22 ARG 8 HH22 ARG 8 11.083 -2.912 -20.393 73 H ARG 9 H ARG 9 15.773 -7.029 -19.423 74 HA ARG 9 HA ARG 9 18.267 -5.744 -20.280 75 HB2 ARG 9 HB2 ARG 9 17.039 -8.303 -20.790 76 HB3 ARG 9 HB3 ARG 9 17.336 -7.462 -22.306 77 HG2 ARG 9 HG2 ARG 9 19.300 -8.608 -22.029 78 HG3 ARG 9 HG3 ARG 9 19.703 -7.056 -21.292 79 HD2 ARG 9 HD2 ARG 9 20.453 -8.947 -19.920 80 HD3 ARG 9 HD3 ARG 9 19.255 -7.960 -19.085 81 HE ARG 9 HE ARG 9 17.805 -9.741 -19.110 82 HH11 ARG 9 HH11 ARG 9 20.483 -10.384 -21.239 83 HH12 ARG 9 HH12 ARG 9 20.058 -12.046 -21.484 84 HH21 ARG 9 HH21 ARG 9 17.236 -11.928 -19.424 85 HH22 ARG 9 HH22 ARG 9 18.211 -12.923 -20.452 86 H VAL 10 H VAL 10 18.347 -4.305 -21.934 87 HA VAL 10 HA VAL 10 15.959 -3.823 -23.543 88 HB VAL 10 HB VAL 10 15.538 -2.268 -21.812 89 HG11 VAL 10 HG11 VAL 10 18.456 -2.061 -21.736 90 HG12 VAL 10 HG12 VAL 10 17.617 -0.521 -21.538 91 HG13 VAL 10 HG13 VAL 10 17.269 -1.863 -20.447 92 HG21 VAL 10 HG21 VAL 10 15.414 -0.282 -22.991 93 HG22 VAL 10 HG22 VAL 10 16.993 -0.509 -23.744 94 HG23 VAL 10 HG23 VAL 10 15.613 -1.464 -24.284 95 H ARG 11 H ARG 11 16.803 -4.156 -25.508 96 HA ARG 11 HA ARG 11 18.065 -3.881 -27.379 97 HB2 ARG 11 HB2 ARG 11 19.132 -1.382 -26.064 98 HB3 ARG 11 HB3 ARG 11 19.076 -1.742 -27.784 99 HG2 ARG 11 HG2 ARG 11 16.494 -1.892 -27.346 100 HG3 ARG 11 HG3 ARG 11 16.896 -0.889 -25.951 101 HD2 ARG 11 HD2 ARG 11 17.711 0.847 -27.290 102 HD3 ARG 11 HD3 ARG 11 17.869 -0.197 -28.701 103 HE ARG 11 HE ARG 11 15.179 -0.141 -28.060 104 HH11 ARG 11 HH11 ARG 11 17.635 2.128 -29.029 105 HH12 ARG 11 HH12 ARG 11 16.524 3.187 -29.833 106 HH21 ARG 11 HH21 ARG 11 13.706 1.246 -29.114 107 HH22 ARG 11 HH22 ARG 11 14.289 2.685 -29.880 108 H GLY 12 H GLY 12 19.099 -5.490 -25.286 109 HA2 GLY 12 HA2 GLY 12 21.044 -6.707 -24.993 110 HA3 GLY 12 HA3 GLY 12 21.843 -5.629 -26.128 111 H VAL 13 H VAL 13 20.201 -4.131 -23.519 112 HA VAL 13 HA VAL 13 22.744 -3.809 -22.065 113 HB VAL 13 HB VAL 13 20.717 -1.602 -22.174 114 HG11 VAL 13 HG11 VAL 13 23.681 -1.737 -21.649 115 HG12 VAL 13 HG12 VAL 13 22.764 -0.234 -21.771 116 HG13 VAL 13 HG13 VAL 13 22.402 -1.388 -20.487 117 HG21 VAL 13 HG21 VAL 13 22.041 -0.586 -24.013 118 HG22 VAL 13 HG22 VAL 13 22.912 -2.111 -24.179 119 HG23 VAL 13 HG23 VAL 13 21.178 -2.047 -24.494 120 H LEU 14 H LEU 14 22.661 -4.120 -19.922 121 HA LEU 14 HA LEU 14 20.070 -4.782 -18.745 122 HB2 LEU 14 HB2 LEU 14 21.910 -6.386 -18.524 123 HB3 LEU 14 HB3 LEU 14 22.864 -5.169 -17.679 124 HG LEU 14 HG LEU 14 21.414 -5.243 -15.783 125 HD11 LEU 14 HD11 LEU 14 19.243 -5.545 -16.184 126 HD12 LEU 14 HD12 LEU 14 19.599 -7.272 -16.163 127 HD13 LEU 14 HD13 LEU 14 19.551 -6.400 -17.695 128 HD21 LEU 14 HD21 LEU 14 22.355 -7.850 -16.882 129 HD22 LEU 14 HD22 LEU 14 21.423 -7.834 -15.386 130 HD23 LEU 14 HD23 LEU 14 22.938 -6.936 -15.491 131 H VAL 15 H VAL 15 19.035 -3.438 -17.431 132 HA VAL 15 HA VAL 15 20.573 -1.303 -16.103 133 HB VAL 15 HB VAL 15 18.416 0.054 -16.264 134 HG11 VAL 15 HG11 VAL 15 20.174 0.860 -17.540 135 HG12 VAL 15 HG12 VAL 15 20.224 -0.577 -18.563 136 HG13 VAL 15 HG13 VAL 15 18.918 0.593 -18.749 137 HG21 VAL 15 HG21 VAL 15 17.836 -2.030 -18.365 138 HG22 VAL 15 HG22 VAL 15 16.903 -1.722 -16.901 139 HG23 VAL 15 HG23 VAL 15 16.961 -0.510 -18.180 140 H ARG 16 H ARG 16 19.318 -0.335 -14.227 141 HA ARG 16 HA ARG 16 18.043 -2.520 -12.720 142 HB2 ARG 16 HB2 ARG 16 20.081 -1.888 -11.653 143 HB3 ARG 16 HB3 ARG 16 19.706 -0.177 -11.805 144 HG2 ARG 16 HG2 ARG 16 17.726 -0.627 -10.284 145 HG3 ARG 16 HG3 ARG 16 18.468 -2.196 -9.964 146 HD2 ARG 16 HD2 ARG 16 20.171 0.222 -9.707 147 HD3 ARG 16 HD3 ARG 16 18.956 -0.060 -8.461 148 HE ARG 16 HE ARG 16 20.417 -2.426 -8.908 149 HH11 ARG 16 HH11 ARG 16 20.770 0.749 -7.524 150 HH12 ARG 16 HH12 ARG 16 21.978 0.260 -6.383 151 HH21 ARG 16 HH21 ARG 16 22.007 -3.082 -7.411 152 HH22 ARG 16 HH22 ARG 16 22.682 -1.919 -6.320 153 H TYR 17 H TYR 17 16.000 -2.285 -12.080 154 HA TYR 17 HA TYR 17 14.863 0.341 -11.627 155 HB2 TYR 17 HB2 TYR 17 13.171 0.261 -13.258 156 HB3 TYR 17 HB3 TYR 17 14.622 -0.239 -14.119 157 HD1 TYR 17 HD1 TYR 17 14.989 -2.979 -13.722 158 HD2 TYR 17 HD2 TYR 17 11.296 -0.878 -13.942 159 HE1 TYR 17 HE1 TYR 17 13.862 -5.047 -14.429 160 HE2 TYR 17 HE2 TYR 17 10.158 -2.941 -14.647 161 HH TYR 17 HH TYR 17 11.206 -5.272 -15.931 162 H ARG 18 H ARG 18 12.688 0.225 -10.691 163 HA ARG 18 HA ARG 18 12.340 -2.276 -9.182 164 HB2 ARG 18 HB2 ARG 18 10.981 -0.790 -7.625 165 HB3 ARG 18 HB3 ARG 18 12.717 -0.509 -7.663 166 HG2 ARG 18 HG2 ARG 18 11.181 1.109 -9.562 167 HG3 ARG 18 HG3 ARG 18 10.829 1.424 -7.862 168 HD2 ARG 18 HD2 ARG 18 12.782 2.672 -9.134 169 HD3 ARG 18 HD3 ARG 18 12.920 2.224 -7.435 170 HE ARG 18 HE ARG 18 13.898 0.237 -9.283 171 HH11 ARG 18 HH11 ARG 18 14.672 3.045 -7.377 172 HH12 ARG 18 HH12 ARG 18 16.368 2.696 -7.315 173 HH21 ARG 18 HH21 ARG 18 16.129 -0.233 -9.208 174 HH22 ARG 18 HH22 ARG 18 17.196 0.832 -8.358 175 H ARG 19 H ARG 19 9.901 -2.386 -8.368 176 HA ARG 19 HA ARG 19 8.061 -1.743 -10.546 177 HB2 ARG 19 HB2 ARG 19 8.726 -3.933 -11.185 178 HB3 ARG 19 HB3 ARG 19 8.642 -4.520 -9.530 179 HG2 ARG 19 HG2 ARG 19 6.383 -4.776 -9.584 180 HG3 ARG 19 HG3 ARG 19 6.151 -3.469 -10.747 181 HD2 ARG 19 HD2 ARG 19 6.835 -4.832 -12.556 182 HD3 ARG 19 HD3 ARG 19 7.468 -6.073 -11.475 183 HE ARG 19 HE ARG 19 4.768 -5.850 -10.919 184 HH11 ARG 19 HH11 ARG 19 6.765 -6.695 -13.643 185 HH12 ARG 19 HH12 ARG 19 5.595 -7.771 -14.333 186 HH21 ARG 19 HH21 ARG 19 3.220 -7.263 -11.818 187 HH22 ARG 19 HH22 ARG 19 3.579 -8.093 -13.294 188 H CYS 20 H CYS 20 6.528 -0.608 -9.558 189 HA CYS 20 HA CYS 20 5.621 -1.478 -6.895 190 HB2 CYS 20 HB2 CYS 20 5.183 1.244 -8.125 191 HB3 CYS 20 HB3 CYS 20 4.977 0.775 -6.441 192 H TRP 21 H TRP 21 3.597 -2.180 -6.650 193 HA TRP 21 HA TRP 21 1.732 -1.810 -8.902 194 HB2 TRP 21 HB2 TRP 21 0.655 -3.931 -8.083 195 HB3 TRP 21 HB3 TRP 21 2.288 -4.133 -8.712 196 HD1 TRP 21 HD1 TRP 21 0.354 -4.114 -5.387 197 HE1 TRP 21 HE1 TRP 21 1.756 -5.364 -3.627 198 HE3 TRP 21 HE3 TRP 21 4.618 -4.839 -8.112 199 HZ2 TRP 21 HZ2 TRP 21 4.329 -6.505 -3.421 200 HZ3 TRP 21 HZ3 TRP 21 6.504 -6.019 -7.059 201 HH2 TRP 21 HH2 TRP 21 6.360 -6.833 -4.762 Start of MODEL 4 1 H ARG 1 H ARG 1 1.812 0.423 0.596 2 HA ARG 1 HA ARG 1 1.443 -0.416 -2.205 3 HB2 ARG 1 HB2 ARG 1 3.064 1.877 -1.090 4 HB3 ARG 1 HB3 ARG 1 3.148 1.336 -2.761 5 HG2 ARG 1 HG2 ARG 1 0.701 1.796 -2.952 6 HG3 ARG 1 HG3 ARG 1 0.776 2.521 -1.344 7 HD2 ARG 1 HD2 ARG 1 2.217 4.240 -2.079 8 HD3 ARG 1 HD3 ARG 1 2.558 3.408 -3.596 9 HE ARG 1 HE ARG 1 0.356 5.137 -3.046 10 HH11 ARG 1 HH11 ARG 1 1.357 2.369 -4.903 11 HH12 ARG 1 HH12 ARG 1 0.197 2.631 -6.163 12 HH21 ARG 1 HH21 ARG 1 -1.176 5.493 -4.698 13 HH22 ARG 1 HH22 ARG 1 -1.242 4.409 -6.046 14 H TRP 2 H TRP 2 3.152 -1.456 -3.240 15 HA TRP 2 HA TRP 2 5.454 -2.198 -1.576 16 HB2 TRP 2 HB2 TRP 2 3.662 -3.993 -1.561 17 HB3 TRP 2 HB3 TRP 2 3.971 -4.199 -3.283 18 HD1 TRP 2 HD1 TRP 2 6.606 -4.930 -3.901 19 HE1 TRP 2 HE1 TRP 2 8.151 -6.544 -2.623 20 HE3 TRP 2 HE3 TRP 2 4.243 -4.895 0.632 21 HZ2 TRP 2 HZ2 TRP 2 8.342 -7.655 -0.035 22 HZ3 TRP 2 HZ3 TRP 2 5.171 -6.261 2.457 23 HH2 TRP 2 HH2 TRP 2 7.178 -7.612 2.128 24 H CYS 3 H CYS 3 7.367 -2.263 -2.629 25 HA CYS 3 HA CYS 3 7.345 -2.154 -5.565 26 HB2 CYS 3 HB2 CYS 3 9.002 -0.363 -3.776 27 HB3 CYS 3 HB3 CYS 3 9.058 -0.400 -5.535 28 H VAL 4 H VAL 4 8.871 -3.362 -6.540 29 HA VAL 4 HA VAL 4 10.975 -4.538 -4.842 30 HB VAL 4 HB VAL 4 10.810 -6.534 -6.449 31 HG11 VAL 4 HG11 VAL 4 8.471 -6.087 -4.603 32 HG12 VAL 4 HG12 VAL 4 9.200 -7.627 -5.060 33 HG13 VAL 4 HG13 VAL 4 10.098 -6.489 -4.055 34 HG21 VAL 4 HG21 VAL 4 8.568 -6.893 -7.415 35 HG22 VAL 4 HG22 VAL 4 8.124 -5.252 -6.947 36 HG23 VAL 4 HG23 VAL 4 9.400 -5.514 -8.135 37 H TYR 5 H TYR 5 13.005 -4.403 -5.586 38 HA TYR 5 HA TYR 5 13.440 -3.053 -8.128 39 HB2 TYR 5 HB2 TYR 5 15.430 -3.824 -5.985 40 HB3 TYR 5 HB3 TYR 5 15.746 -2.782 -7.367 41 HD1 TYR 5 HD1 TYR 5 14.421 -0.598 -7.532 42 HD2 TYR 5 HD2 TYR 5 14.635 -2.925 -3.976 43 HE1 TYR 5 HE1 TYR 5 13.737 1.363 -6.215 44 HE2 TYR 5 HE2 TYR 5 13.951 -0.970 -2.649 45 HH TYR 5 HH TYR 5 13.114 2.103 -4.201 46 H ALA 6 H ALA 6 14.430 -3.927 -9.878 47 HA ALA 6 HA ALA 6 15.770 -6.481 -9.733 48 HB1 ALA 6 HB1 ALA 6 13.199 -6.210 -11.286 49 HB2 ALA 6 HB2 ALA 6 14.307 -7.581 -11.379 50 HB3 ALA 6 HB3 ALA 6 13.469 -7.224 -9.868 51 H TYR 7 H TYR 7 16.206 -7.206 -12.168 52 HA TYR 7 HA TYR 7 17.103 -4.788 -13.594 53 HB2 TYR 7 HB2 TYR 7 18.409 -7.491 -13.300 54 HB3 TYR 7 HB3 TYR 7 18.900 -6.335 -14.534 55 HD1 TYR 7 HD1 TYR 7 18.943 -7.135 -10.974 56 HD2 TYR 7 HD2 TYR 7 20.009 -4.243 -13.907 57 HE1 TYR 7 HE1 TYR 7 20.427 -6.040 -9.346 58 HE2 TYR 7 HE2 TYR 7 21.496 -3.140 -12.288 59 HH TYR 7 HH TYR 7 22.749 -3.783 -10.204 60 H ARG 8 H ARG 8 17.365 -5.072 -15.959 61 HA ARG 8 HA ARG 8 15.805 -7.171 -17.203 62 HB2 ARG 8 HB2 ARG 8 14.302 -5.619 -18.375 63 HB3 ARG 8 HB3 ARG 8 14.071 -5.554 -16.633 64 HG2 ARG 8 HG2 ARG 8 14.063 -3.331 -17.117 65 HG3 ARG 8 HG3 ARG 8 15.786 -3.566 -16.818 66 HD2 ARG 8 HD2 ARG 8 15.287 -2.246 -18.866 67 HD3 ARG 8 HD3 ARG 8 16.240 -3.699 -19.165 68 HE ARG 8 HE ARG 8 14.546 -4.469 -20.481 69 HH11 ARG 8 HH11 ARG 8 13.279 -2.014 -18.362 70 HH12 ARG 8 HH12 ARG 8 11.709 -2.008 -19.095 71 HH21 ARG 8 HH21 ARG 8 12.483 -4.470 -21.454 72 HH22 ARG 8 HH22 ARG 8 11.257 -3.406 -20.853 73 H ARG 9 H ARG 9 16.053 -7.239 -19.509 74 HA ARG 9 HA ARG 9 18.540 -5.952 -20.379 75 HB2 ARG 9 HB2 ARG 9 17.404 -8.574 -20.730 76 HB3 ARG 9 HB3 ARG 9 17.705 -7.839 -22.299 77 HG2 ARG 9 HG2 ARG 9 19.729 -8.794 -21.979 78 HG3 ARG 9 HG3 ARG 9 20.030 -7.268 -21.145 79 HD2 ARG 9 HD2 ARG 9 19.297 -9.922 -19.926 80 HD3 ARG 9 HD3 ARG 9 20.807 -9.032 -19.739 81 HE ARG 9 HE ARG 9 19.019 -7.300 -18.751 82 HH11 ARG 9 HH11 ARG 9 19.517 -10.697 -18.179 83 HH12 ARG 9 HH12 ARG 9 18.939 -10.640 -16.546 84 HH21 ARG 9 HH21 ARG 9 18.255 -7.212 -16.603 85 HH22 ARG 9 HH22 ARG 9 18.220 -8.657 -15.652 86 H VAL 10 H VAL 10 18.388 -4.231 -21.643 87 HA VAL 10 HA VAL 10 16.100 -4.035 -23.492 88 HB VAL 10 HB VAL 10 15.723 -2.391 -21.810 89 HG11 VAL 10 HG11 VAL 10 18.059 -2.407 -20.932 90 HG12 VAL 10 HG12 VAL 10 18.512 -1.343 -22.265 91 HG13 VAL 10 HG13 VAL 10 17.345 -0.800 -21.059 92 HG21 VAL 10 HG21 VAL 10 16.960 -0.544 -23.726 93 HG22 VAL 10 HG22 VAL 10 15.929 -1.779 -24.450 94 HG23 VAL 10 HG23 VAL 10 15.277 -0.697 -23.220 95 H ARG 11 H ARG 11 16.779 -4.230 -25.516 96 HA ARG 11 HA ARG 11 18.096 -4.176 -27.376 97 HB2 ARG 11 HB2 ARG 11 18.972 -1.531 -26.202 98 HB3 ARG 11 HB3 ARG 11 19.118 -2.019 -27.885 99 HG2 ARG 11 HG2 ARG 11 16.425 -2.006 -26.613 100 HG3 ARG 11 HG3 ARG 11 17.161 -0.476 -27.097 101 HD2 ARG 11 HD2 ARG 11 16.847 -2.845 -28.932 102 HD3 ARG 11 HD3 ARG 11 15.677 -1.530 -28.820 103 HE ARG 11 HE ARG 11 18.219 -0.446 -29.301 104 HH11 ARG 11 HH11 ARG 11 15.780 -2.352 -30.893 105 HH12 ARG 11 HH12 ARG 11 16.206 -1.808 -32.482 106 HH21 ARG 11 HH21 ARG 11 18.789 0.278 -31.388 107 HH22 ARG 11 HH22 ARG 11 17.919 -0.313 -32.762 108 H GLY 12 H GLY 12 19.222 -5.423 -24.976 109 HA2 GLY 12 HA2 GLY 12 21.214 -6.590 -24.672 110 HA3 GLY 12 HA3 GLY 12 21.960 -5.587 -25.908 111 H VAL 13 H VAL 13 20.265 -4.426 -23.043 112 HA VAL 13 HA VAL 13 22.833 -3.596 -21.882 113 HB VAL 13 HB VAL 13 20.445 -1.757 -21.983 114 HG11 VAL 13 HG11 VAL 13 21.716 -0.981 -20.249 115 HG12 VAL 13 HG12 VAL 13 23.223 -1.597 -20.931 116 HG13 VAL 13 HG13 VAL 13 22.489 -0.133 -21.588 117 HG21 VAL 13 HG21 VAL 13 21.244 -2.151 -24.259 118 HG22 VAL 13 HG22 VAL 13 21.611 -0.509 -23.729 119 HG23 VAL 13 HG23 VAL 13 22.883 -1.731 -23.761 120 H LEU 14 H LEU 14 22.940 -3.670 -19.686 121 HA LEU 14 HA LEU 14 20.647 -4.865 -18.321 122 HB2 LEU 14 HB2 LEU 14 22.862 -5.948 -18.171 123 HB3 LEU 14 HB3 LEU 14 23.486 -4.507 -17.372 124 HG LEU 14 HG LEU 14 22.872 -6.548 -15.934 125 HD11 LEU 14 HD11 LEU 14 23.328 -4.148 -15.208 126 HD12 LEU 14 HD12 LEU 14 22.411 -5.168 -14.099 127 HD13 LEU 14 HD13 LEU 14 21.576 -3.975 -15.094 128 HD21 LEU 14 HD21 LEU 14 20.124 -5.448 -15.840 129 HD22 LEU 14 HD22 LEU 14 20.702 -7.089 -15.549 130 HD23 LEU 14 HD23 LEU 14 20.526 -6.495 -17.201 131 H VAL 15 H VAL 15 19.279 -3.255 -17.742 132 HA VAL 15 HA VAL 15 20.391 -0.968 -16.261 133 HB VAL 15 HB VAL 15 18.464 0.284 -16.809 134 HG11 VAL 15 HG11 VAL 15 19.094 -1.359 -19.258 135 HG12 VAL 15 HG12 VAL 15 18.454 0.285 -19.221 136 HG13 VAL 15 HG13 VAL 15 20.091 -0.039 -18.648 137 HG21 VAL 15 HG21 VAL 15 16.656 -1.133 -16.424 138 HG22 VAL 15 HG22 VAL 15 16.596 -0.863 -18.166 139 HG23 VAL 15 HG23 VAL 15 17.263 -2.367 -17.530 140 H ARG 16 H ARG 16 19.130 -0.174 -14.416 141 HA ARG 16 HA ARG 16 17.938 -2.412 -12.920 142 HB2 ARG 16 HB2 ARG 16 19.899 -1.663 -11.801 143 HB3 ARG 16 HB3 ARG 16 19.455 0.026 -12.004 144 HG2 ARG 16 HG2 ARG 16 17.583 -1.678 -10.474 145 HG3 ARG 16 HG3 ARG 16 19.129 -1.288 -9.717 146 HD2 ARG 16 HD2 ARG 16 17.110 0.676 -10.795 147 HD3 ARG 16 HD3 ARG 16 17.444 0.346 -9.096 148 HE ARG 16 HE ARG 16 19.851 1.105 -10.009 149 HH11 ARG 16 HH11 ARG 16 16.682 2.509 -10.331 150 HH12 ARG 16 HH12 ARG 16 17.269 4.136 -10.421 151 HH21 ARG 16 HH21 ARG 16 20.636 3.244 -10.126 152 HH22 ARG 16 HH22 ARG 16 19.518 4.553 -10.305 153 H TYR 17 H TYR 17 15.917 -2.247 -12.130 154 HA TYR 17 HA TYR 17 14.607 0.327 -11.898 155 HB2 TYR 17 HB2 TYR 17 12.860 -0.059 -13.439 156 HB3 TYR 17 HB3 TYR 17 14.332 -0.481 -14.307 157 HD1 TYR 17 HD1 TYR 17 15.006 -3.046 -14.103 158 HD2 TYR 17 HD2 TYR 17 11.074 -1.513 -13.568 159 HE1 TYR 17 HE1 TYR 17 14.078 -5.268 -14.604 160 HE2 TYR 17 HE2 TYR 17 10.135 -3.731 -14.067 161 HH TYR 17 HH TYR 17 12.015 -6.271 -15.373 162 H ARG 18 H ARG 18 12.007 -0.488 -11.625 163 HA ARG 18 HA ARG 18 11.903 -2.742 -9.805 164 HB2 ARG 18 HB2 ARG 18 11.091 -1.499 -7.908 165 HB3 ARG 18 HB3 ARG 18 12.643 -0.830 -8.396 166 HG2 ARG 18 HG2 ARG 18 10.029 0.355 -9.277 167 HG3 ARG 18 HG3 ARG 18 10.835 0.823 -7.778 168 HD2 ARG 18 HD2 ARG 18 11.730 1.216 -10.609 169 HD3 ARG 18 HD3 ARG 18 11.572 2.407 -9.319 170 HE ARG 18 HE ARG 18 13.694 0.363 -9.433 171 HH11 ARG 18 HH11 ARG 18 12.527 3.527 -8.571 172 HH12 ARG 18 HH12 ARG 18 14.052 4.063 -7.947 173 HH21 ARG 18 HH21 ARG 18 15.707 1.056 -8.615 174 HH22 ARG 18 HH22 ARG 18 15.861 2.657 -7.973 175 H ARG 19 H ARG 19 9.472 -2.297 -8.632 176 HA ARG 19 HA ARG 19 7.556 -1.517 -10.660 177 HB2 ARG 19 HB2 ARG 19 7.994 -3.787 -11.355 178 HB3 ARG 19 HB3 ARG 19 7.797 -4.373 -9.709 179 HG2 ARG 19 HG2 ARG 19 5.526 -4.276 -9.793 180 HG3 ARG 19 HG3 ARG 19 5.515 -2.938 -10.945 181 HD2 ARG 19 HD2 ARG 19 4.705 -4.996 -11.976 182 HD3 ARG 19 HD3 ARG 19 6.208 -4.457 -12.724 183 HE ARG 19 HE ARG 19 6.858 -6.265 -10.703 184 HH11 ARG 19 HH11 ARG 19 5.206 -6.229 -13.768 185 HH12 ARG 19 HH12 ARG 19 5.585 -7.878 -14.139 186 HH21 ARG 19 HH21 ARG 19 7.363 -8.438 -11.181 187 HH22 ARG 19 HH22 ARG 19 6.811 -9.134 -12.666 188 H CYS 20 H CYS 20 6.212 -0.278 -9.538 189 HA CYS 20 HA CYS 20 5.512 -1.072 -6.792 190 HB2 CYS 20 HB2 CYS 20 5.326 1.646 -8.109 191 HB3 CYS 20 HB3 CYS 20 4.896 1.286 -6.440 192 H TRP 21 H TRP 21 3.555 -1.878 -6.480 193 HA TRP 21 HA TRP 21 1.408 -1.123 -8.354 194 HB2 TRP 21 HB2 TRP 21 0.450 -3.355 -8.046 195 HB3 TRP 21 HB3 TRP 21 2.099 -3.464 -8.657 196 HD1 TRP 21 HD1 TRP 21 0.066 -4.049 -5.444 197 HE1 TRP 21 HE1 TRP 21 1.394 -5.649 -3.926 198 HE3 TRP 21 HE3 TRP 21 4.396 -4.329 -8.148 199 HZ2 TRP 21 HZ2 TRP 21 3.939 -6.867 -3.881 200 HZ3 TRP 21 HZ3 TRP 21 6.229 -5.733 -7.298 201 HH2 TRP 21 HH2 TRP 21 6.003 -6.975 -5.208 Start of MODEL 5 1 H ARG 1 H ARG 1 1.807 0.093 1.470 2 HA ARG 1 HA ARG 1 1.577 -0.517 -1.368 3 HB2 ARG 1 HB2 ARG 1 3.160 1.287 -1.707 4 HB3 ARG 1 HB3 ARG 1 1.878 1.823 -0.629 5 HG2 ARG 1 HG2 ARG 1 3.668 2.643 0.495 6 HG3 ARG 1 HG3 ARG 1 3.600 1.034 1.218 7 HD2 ARG 1 HD2 ARG 1 5.457 0.302 0.099 8 HD3 ARG 1 HD3 ARG 1 5.196 1.390 -1.264 9 HE ARG 1 HE ARG 1 5.805 3.061 0.787 10 HH11 ARG 1 HH11 ARG 1 7.346 0.262 -0.594 11 HH12 ARG 1 HH12 ARG 1 8.950 0.791 -0.204 12 HH21 ARG 1 HH21 ARG 1 7.911 3.768 1.305 13 HH22 ARG 1 HH22 ARG 1 9.269 2.785 0.877 14 H TRP 2 H TRP 2 3.257 -1.373 -2.619 15 HA TRP 2 HA TRP 2 5.545 -2.506 -1.182 16 HB2 TRP 2 HB2 TRP 2 3.616 -4.184 -1.451 17 HB3 TRP 2 HB3 TRP 2 4.003 -4.164 -3.169 18 HD1 TRP 2 HD1 TRP 2 6.621 -4.937 -3.776 19 HE1 TRP 2 HE1 TRP 2 8.044 -6.772 -2.665 20 HE3 TRP 2 HE3 TRP 2 4.073 -5.381 0.633 21 HZ2 TRP 2 HZ2 TRP 2 8.081 -8.216 -0.240 22 HZ3 TRP 2 HZ3 TRP 2 4.866 -7.012 2.295 23 HH2 TRP 2 HH2 TRP 2 6.829 -8.400 1.865 24 H CYS 3 H CYS 3 7.404 -2.749 -2.403 25 HA CYS 3 HA CYS 3 7.304 -2.107 -5.248 26 HB2 CYS 3 HB2 CYS 3 8.962 -0.555 -3.249 27 HB3 CYS 3 HB3 CYS 3 9.120 -0.427 -4.998 28 H VAL 4 H VAL 4 8.661 -3.342 -6.379 29 HA VAL 4 HA VAL 4 10.914 -4.608 -4.962 30 HB VAL 4 HB VAL 4 10.526 -6.538 -6.641 31 HG11 VAL 4 HG11 VAL 4 10.258 -7.136 -4.438 32 HG12 VAL 4 HG12 VAL 4 8.988 -5.943 -4.155 33 HG13 VAL 4 HG13 VAL 4 8.632 -7.415 -5.060 34 HG21 VAL 4 HG21 VAL 4 7.780 -5.288 -6.618 35 HG22 VAL 4 HG22 VAL 4 8.856 -5.398 -8.010 36 HG23 VAL 4 HG23 VAL 4 8.190 -6.865 -7.294 37 H TYR 5 H TYR 5 12.846 -4.483 -5.937 38 HA TYR 5 HA TYR 5 12.979 -3.108 -8.511 39 HB2 TYR 5 HB2 TYR 5 14.867 -3.512 -6.234 40 HB3 TYR 5 HB3 TYR 5 15.539 -3.221 -7.834 41 HD1 TYR 5 HD1 TYR 5 16.222 -1.041 -8.103 42 HD2 TYR 5 HD2 TYR 5 12.668 -1.806 -5.891 43 HE1 TYR 5 HE1 TYR 5 15.894 1.378 -7.805 44 HE2 TYR 5 HE2 TYR 5 12.330 0.611 -5.588 45 HH TYR 5 HH TYR 5 13.578 2.663 -5.623 46 H ALA 6 H ALA 6 13.935 -3.948 -10.320 47 HA ALA 6 HA ALA 6 15.150 -6.596 -10.200 48 HB1 ALA 6 HB1 ALA 6 12.794 -7.079 -10.545 49 HB2 ALA 6 HB2 ALA 6 12.759 -5.996 -11.937 50 HB3 ALA 6 HB3 ALA 6 13.724 -7.471 -11.992 51 H TYR 7 H TYR 7 15.907 -7.240 -12.486 52 HA TYR 7 HA TYR 7 16.920 -4.834 -13.855 53 HB2 TYR 7 HB2 TYR 7 18.293 -7.331 -12.990 54 HB3 TYR 7 HB3 TYR 7 18.804 -6.604 -14.510 55 HD1 TYR 7 HD1 TYR 7 19.727 -4.294 -14.521 56 HD2 TYR 7 HD2 TYR 7 18.869 -6.352 -10.897 57 HE1 TYR 7 HE1 TYR 7 21.137 -2.699 -13.289 58 HE2 TYR 7 HE2 TYR 7 20.276 -4.763 -9.655 59 HH TYR 7 HH TYR 7 21.696 -1.947 -11.226 60 H ARG 8 H ARG 8 16.828 -4.764 -16.052 61 HA ARG 8 HA ARG 8 15.799 -7.136 -17.453 62 HB2 ARG 8 HB2 ARG 8 14.150 -5.918 -18.590 63 HB3 ARG 8 HB3 ARG 8 14.037 -5.345 -16.932 64 HG2 ARG 8 HG2 ARG 8 15.763 -3.542 -17.891 65 HG3 ARG 8 HG3 ARG 8 14.891 -3.930 -19.375 66 HD2 ARG 8 HD2 ARG 8 13.499 -3.223 -16.804 67 HD3 ARG 8 HD3 ARG 8 13.979 -2.011 -17.991 68 HE ARG 8 HE ARG 8 12.564 -3.742 -19.480 69 HH11 ARG 8 HH11 ARG 8 11.900 -2.179 -16.441 70 HH12 ARG 8 HH12 ARG 8 10.186 -2.140 -16.686 71 HH21 ARG 8 HH21 ARG 8 10.308 -3.697 -19.814 72 HH22 ARG 8 HH22 ARG 8 9.281 -3.005 -18.605 73 H ARG 9 H ARG 9 16.433 -7.362 -19.610 74 HA ARG 9 HA ARG 9 18.808 -5.800 -20.316 75 HB2 ARG 9 HB2 ARG 9 18.131 -8.557 -20.501 76 HB3 ARG 9 HB3 ARG 9 18.343 -7.949 -22.138 77 HG2 ARG 9 HG2 ARG 9 20.467 -8.650 -21.591 78 HG3 ARG 9 HG3 ARG 9 20.534 -6.928 -21.211 79 HD2 ARG 9 HD2 ARG 9 21.547 -8.367 -19.464 80 HD3 ARG 9 HD3 ARG 9 20.215 -7.374 -18.873 81 HE ARG 9 HE ARG 9 19.002 -9.285 -18.470 82 HH11 ARG 9 HH11 ARG 9 21.801 -10.056 -20.392 83 HH12 ARG 9 HH12 ARG 9 21.602 -11.770 -20.229 84 HH21 ARG 9 HH21 ARG 9 18.729 -11.538 -18.249 85 HH22 ARG 9 HH22 ARG 9 19.854 -12.612 -19.011 86 H VAL 10 H VAL 10 18.939 -4.572 -22.122 87 HA VAL 10 HA VAL 10 16.825 -4.707 -24.127 88 HB VAL 10 HB VAL 10 15.842 -3.068 -22.752 89 HG11 VAL 10 HG11 VAL 10 17.225 -2.299 -21.148 90 HG12 VAL 10 HG12 VAL 10 18.633 -2.304 -22.212 91 HG13 VAL 10 HG13 VAL 10 17.478 -0.972 -22.282 92 HG21 VAL 10 HG21 VAL 10 15.529 -1.469 -24.305 93 HG22 VAL 10 HG22 VAL 10 17.250 -1.102 -24.425 94 HG23 VAL 10 HG23 VAL 10 16.581 -2.484 -25.293 95 H ARG 11 H ARG 11 17.963 -5.001 -25.929 96 HA ARG 11 HA ARG 11 19.478 -4.714 -27.600 97 HB2 ARG 11 HB2 ARG 11 19.832 -1.971 -26.376 98 HB3 ARG 11 HB3 ARG 11 20.337 -2.455 -27.990 99 HG2 ARG 11 HG2 ARG 11 18.101 -2.674 -28.726 100 HG3 ARG 11 HG3 ARG 11 17.476 -2.555 -27.079 101 HD2 ARG 11 HD2 ARG 11 17.080 -0.435 -27.925 102 HD3 ARG 11 HD3 ARG 11 18.611 -0.230 -27.075 103 HE ARG 11 HE ARG 11 19.244 -0.884 -29.687 104 HH11 ARG 11 HH11 ARG 11 17.560 1.666 -28.017 105 HH12 ARG 11 HH12 ARG 11 17.952 2.874 -29.196 106 HH21 ARG 11 HH21 ARG 11 19.767 0.698 -31.245 107 HH22 ARG 11 HH22 ARG 11 19.207 2.322 -31.032 108 H GLY 12 H GLY 12 20.427 -6.112 -25.451 109 HA2 GLY 12 HA2 GLY 12 22.446 -6.958 -24.730 110 HA3 GLY 12 HA3 GLY 12 23.249 -5.780 -25.758 111 H VAL 13 H VAL 13 21.101 -4.151 -23.831 112 HA VAL 13 HA VAL 13 23.244 -3.443 -21.945 113 HB VAL 13 HB VAL 13 20.773 -1.793 -22.367 114 HG11 VAL 13 HG11 VAL 13 21.875 -0.827 -20.635 115 HG12 VAL 13 HG12 VAL 13 23.446 -1.454 -21.138 116 HG13 VAL 13 HG13 VAL 13 22.752 -0.052 -21.954 117 HG21 VAL 13 HG21 VAL 13 21.645 -2.145 -24.593 118 HG22 VAL 13 HG22 VAL 13 22.013 -0.500 -24.072 119 HG23 VAL 13 HG23 VAL 13 23.273 -1.734 -24.054 120 H LEU 14 H LEU 14 22.517 -2.778 -19.750 121 HA LEU 14 HA LEU 14 20.139 -4.254 -18.852 122 HB2 LEU 14 HB2 LEU 14 22.109 -5.617 -18.396 123 HB3 LEU 14 HB3 LEU 14 22.850 -4.271 -17.533 124 HG LEU 14 HG LEU 14 21.269 -4.448 -15.752 125 HD11 LEU 14 HD11 LEU 14 19.186 -5.041 -16.254 126 HD12 LEU 14 HD12 LEU 14 19.748 -6.713 -16.232 127 HD13 LEU 14 HD13 LEU 14 19.690 -5.821 -17.753 128 HD21 LEU 14 HD21 LEU 14 21.517 -7.081 -15.358 129 HD22 LEU 14 HD22 LEU 14 22.858 -5.951 -15.165 130 HD23 LEU 14 HD23 LEU 14 22.692 -6.878 -16.658 131 H VAL 15 H VAL 15 18.824 -3.074 -17.626 132 HA VAL 15 HA VAL 15 19.922 -0.686 -16.291 133 HB VAL 15 HB VAL 15 17.666 0.356 -16.609 134 HG11 VAL 15 HG11 VAL 15 18.077 1.060 -18.877 135 HG12 VAL 15 HG12 VAL 15 19.620 0.876 -18.041 136 HG13 VAL 15 HG13 VAL 15 19.077 -0.361 -19.176 137 HG21 VAL 15 HG21 VAL 15 16.259 -0.582 -18.437 138 HG22 VAL 15 HG22 VAL 15 17.271 -2.026 -18.415 139 HG23 VAL 15 HG23 VAL 15 16.321 -1.594 -16.994 140 H ARG 16 H ARG 16 18.626 0.060 -14.425 141 HA ARG 16 HA ARG 16 17.560 -2.246 -12.941 142 HB2 ARG 16 HB2 ARG 16 19.387 -1.477 -11.719 143 HB3 ARG 16 HB3 ARG 16 19.058 0.208 -12.099 144 HG2 ARG 16 HG2 ARG 16 17.120 0.169 -10.615 145 HG3 ARG 16 HG3 ARG 16 17.444 -1.525 -10.238 146 HD2 ARG 16 HD2 ARG 16 19.645 0.431 -9.851 147 HD3 ARG 16 HD3 ARG 16 18.309 0.460 -8.701 148 HE ARG 16 HE ARG 16 19.348 -2.173 -9.134 149 HH11 ARG 16 HH11 ARG 16 19.792 0.796 -7.370 150 HH12 ARG 16 HH12 ARG 16 20.635 0.042 -6.058 151 HH21 ARG 16 HH21 ARG 16 20.458 -3.176 -7.413 152 HH22 ARG 16 HH22 ARG 16 21.015 -2.217 -6.083 153 H TYR 17 H TYR 17 15.436 -2.291 -12.683 154 HA TYR 17 HA TYR 17 13.992 0.253 -12.376 155 HB2 TYR 17 HB2 TYR 17 12.217 -0.484 -13.787 156 HB3 TYR 17 HB3 TYR 17 13.712 -0.761 -14.674 157 HD1 TYR 17 HD1 TYR 17 10.644 -2.169 -13.801 158 HD2 TYR 17 HD2 TYR 17 14.747 -3.195 -14.272 159 HE1 TYR 17 HE1 TYR 17 10.013 -4.525 -14.117 160 HE2 TYR 17 HE2 TYR 17 14.126 -5.554 -14.590 161 HH TYR 17 HH TYR 17 11.372 -6.632 -15.449 162 H ARG 18 H ARG 18 11.505 -0.577 -11.849 163 HA ARG 18 HA ARG 18 11.469 -2.748 -9.956 164 HB2 ARG 18 HB2 ARG 18 11.021 -1.495 -7.985 165 HB3 ARG 18 HB3 ARG 18 12.473 -0.804 -8.697 166 HG2 ARG 18 HG2 ARG 18 9.697 0.326 -8.983 167 HG3 ARG 18 HG3 ARG 18 10.926 0.903 -7.855 168 HD2 ARG 18 HD2 ARG 18 10.926 1.028 -10.855 169 HD3 ARG 18 HD3 ARG 18 11.046 2.355 -9.700 170 HE ARG 18 HE ARG 18 13.206 0.393 -9.750 171 HH11 ARG 18 HH11 ARG 18 12.042 3.572 -10.562 172 HH12 ARG 18 HH12 ARG 18 13.624 4.225 -10.832 173 HH21 ARG 18 HH21 ARG 18 15.294 1.241 -10.103 174 HH22 ARG 18 HH22 ARG 18 15.473 2.898 -10.572 175 H ARG 19 H ARG 19 9.211 -2.241 -8.567 176 HA ARG 19 HA ARG 19 7.144 -1.304 -10.379 177 HB2 ARG 19 HB2 ARG 19 7.410 -3.610 -11.098 178 HB3 ARG 19 HB3 ARG 19 7.277 -4.173 -9.437 179 HG2 ARG 19 HG2 ARG 19 5.017 -3.906 -9.377 180 HG3 ARG 19 HG3 ARG 19 5.032 -2.581 -10.542 181 HD2 ARG 19 HD2 ARG 19 5.716 -5.398 -11.327 182 HD3 ARG 19 HD3 ARG 19 4.052 -4.816 -11.301 183 HE ARG 19 HE ARG 19 6.009 -4.278 -13.287 184 HH11 ARG 19 HH11 ARG 19 3.312 -2.862 -11.600 185 HH12 ARG 19 HH12 ARG 19 2.908 -1.778 -12.889 186 HH21 ARG 19 HH21 ARG 19 5.486 -2.854 -14.990 187 HH22 ARG 19 HH22 ARG 19 4.144 -1.774 -14.817 188 H CYS 20 H CYS 20 6.070 0.042 -9.093 189 HA CYS 20 HA CYS 20 5.573 -0.753 -6.305 190 HB2 CYS 20 HB2 CYS 20 5.633 1.959 -7.632 191 HB3 CYS 20 HB3 CYS 20 5.047 1.704 -5.992 192 H TRP 21 H TRP 21 3.620 -1.522 -5.892 193 HA TRP 21 HA TRP 21 1.331 -0.433 -7.394 194 HB2 TRP 21 HB2 TRP 21 0.316 -2.591 -7.502 195 HB3 TRP 21 HB3 TRP 21 1.977 -2.782 -8.060 196 HD1 TRP 21 HD1 TRP 21 -0.271 -3.595 -5.048 197 HE1 TRP 21 HE1 TRP 21 0.825 -5.500 -3.709 198 HE3 TRP 21 HE3 TRP 21 4.165 -3.912 -7.570 199 HZ2 TRP 21 HZ2 TRP 21 3.249 -6.946 -3.720 200 HZ3 TRP 21 HZ3 TRP 21 5.818 -5.582 -6.842 201 HH2 TRP 21 HH2 TRP 21 5.368 -7.066 -4.956 Start of MODEL 6 1 H ARG 1 H ARG 1 2.056 -0.038 1.096 2 HA ARG 1 HA ARG 1 1.596 -0.435 -1.784 3 HB2 ARG 1 HB2 ARG 1 3.204 1.314 -2.294 4 HB3 ARG 1 HB3 ARG 1 1.905 1.963 -1.303 5 HG2 ARG 1 HG2 ARG 1 3.307 1.920 0.652 6 HG3 ARG 1 HG3 ARG 1 4.596 1.122 -0.251 7 HD2 ARG 1 HD2 ARG 1 5.234 3.372 -0.193 8 HD3 ARG 1 HD3 ARG 1 4.529 3.158 -1.794 9 HE ARG 1 HE ARG 1 2.666 4.084 0.195 10 HH11 ARG 1 HH11 ARG 1 5.044 5.012 -2.173 11 HH12 ARG 1 HH12 ARG 1 4.400 6.607 -2.386 12 HH21 ARG 1 HH21 ARG 1 1.809 6.181 -0.077 13 HH22 ARG 1 HH22 ARG 1 2.560 7.270 -1.193 14 H TRP 2 H TRP 2 3.442 -1.209 -2.975 15 HA TRP 2 HA TRP 2 5.669 -2.264 -1.420 16 HB2 TRP 2 HB2 TRP 2 3.800 -3.992 -1.468 17 HB3 TRP 2 HB3 TRP 2 4.079 -4.109 -3.203 18 HD1 TRP 2 HD1 TRP 2 6.640 -4.938 -3.922 19 HE1 TRP 2 HE1 TRP 2 8.163 -6.651 -2.753 20 HE3 TRP 2 HE3 TRP 2 4.436 -4.967 0.691 21 HZ2 TRP 2 HZ2 TRP 2 8.399 -7.857 -0.211 22 HZ3 TRP 2 HZ3 TRP 2 5.372 -6.429 2.435 23 HH2 TRP 2 HH2 TRP 2 7.312 -7.843 1.991 24 H CYS 3 H CYS 3 7.540 -2.303 -2.542 25 HA CYS 3 HA CYS 3 7.415 -1.995 -5.464 26 HB2 CYS 3 HB2 CYS 3 9.100 -0.371 -3.548 27 HB3 CYS 3 HB3 CYS 3 9.317 -0.374 -5.295 28 H VAL 4 H VAL 4 8.705 -3.349 -6.531 29 HA VAL 4 HA VAL 4 10.866 -4.682 -5.031 30 HB VAL 4 HB VAL 4 10.510 -6.543 -6.789 31 HG11 VAL 4 HG11 VAL 4 8.413 -6.101 -4.666 32 HG12 VAL 4 HG12 VAL 4 8.886 -7.648 -5.371 33 HG13 VAL 4 HG13 VAL 4 10.031 -6.742 -4.381 34 HG21 VAL 4 HG21 VAL 4 9.009 -5.297 -8.247 35 HG22 VAL 4 HG22 VAL 4 8.209 -6.736 -7.614 36 HG23 VAL 4 HG23 VAL 4 7.837 -5.150 -6.937 37 H TYR 5 H TYR 5 12.864 -4.541 -5.835 38 HA TYR 5 HA TYR 5 13.235 -3.141 -8.369 39 HB2 TYR 5 HB2 TYR 5 14.989 -3.707 -6.003 40 HB3 TYR 5 HB3 TYR 5 15.713 -3.268 -7.546 41 HD1 TYR 5 HD1 TYR 5 15.285 -1.040 -8.526 42 HD2 TYR 5 HD2 TYR 5 13.858 -2.083 -4.656 43 HE1 TYR 5 HE1 TYR 5 14.916 1.340 -8.027 44 HE2 TYR 5 HE2 TYR 5 13.484 0.294 -4.146 45 HH TYR 5 HH TYR 5 13.465 2.694 -6.483 46 H ALA 6 H ALA 6 14.316 -3.972 -10.114 47 HA ALA 6 HA ALA 6 15.556 -6.582 -9.989 48 HB1 ALA 6 HB1 ALA 6 12.823 -6.305 -10.816 49 HB2 ALA 6 HB2 ALA 6 13.811 -6.866 -12.166 50 HB3 ALA 6 HB3 ALA 6 13.798 -7.766 -10.649 51 H TYR 7 H TYR 7 16.189 -7.250 -12.345 52 HA TYR 7 HA TYR 7 17.073 -4.827 -13.772 53 HB2 TYR 7 HB2 TYR 7 18.578 -7.367 -13.167 54 HB3 TYR 7 HB3 TYR 7 19.077 -6.272 -14.451 55 HD1 TYR 7 HD1 TYR 7 18.824 -6.751 -10.835 56 HD2 TYR 7 HD2 TYR 7 19.982 -4.070 -13.929 57 HE1 TYR 7 HE1 TYR 7 20.054 -5.396 -9.192 58 HE2 TYR 7 HE2 TYR 7 21.216 -2.708 -12.295 59 HH TYR 7 HH TYR 7 21.839 -2.485 -10.179 60 H ARG 8 H ARG 8 16.839 -4.781 -15.949 61 HA ARG 8 HA ARG 8 15.912 -7.227 -17.290 62 HB2 ARG 8 HB2 ARG 8 14.115 -6.144 -18.336 63 HB3 ARG 8 HB3 ARG 8 14.048 -5.574 -16.674 64 HG2 ARG 8 HG2 ARG 8 15.576 -3.648 -17.726 65 HG3 ARG 8 HG3 ARG 8 14.659 -4.109 -19.162 66 HD2 ARG 8 HD2 ARG 8 12.593 -3.926 -17.637 67 HD3 ARG 8 HD3 ARG 8 13.656 -3.036 -16.548 68 HE ARG 8 HE ARG 8 13.983 -1.808 -18.958 69 HH11 ARG 8 HH11 ARG 8 11.248 -2.557 -16.940 70 HH12 ARG 8 HH12 ARG 8 10.324 -1.187 -17.460 71 HH21 ARG 8 HH21 ARG 8 12.777 -0.001 -19.651 72 HH22 ARG 8 HH22 ARG 8 11.194 0.266 -19.002 73 H ARG 9 H ARG 9 16.572 -7.495 -19.397 74 HA ARG 9 HA ARG 9 18.820 -5.863 -20.216 75 HB2 ARG 9 HB2 ARG 9 17.896 -8.554 -20.699 76 HB3 ARG 9 HB3 ARG 9 18.253 -7.749 -22.221 77 HG2 ARG 9 HG2 ARG 9 20.307 -8.590 -21.774 78 HG3 ARG 9 HG3 ARG 9 20.449 -7.059 -20.907 79 HD2 ARG 9 HD2 ARG 9 19.775 -9.759 -19.749 80 HD3 ARG 9 HD3 ARG 9 21.251 -8.828 -19.494 81 HE ARG 9 HE ARG 9 19.364 -7.153 -18.583 82 HH11 ARG 9 HH11 ARG 9 19.971 -10.528 -17.984 83 HH12 ARG 9 HH12 ARG 9 19.332 -10.491 -16.374 84 HH21 ARG 9 HH21 ARG 9 18.519 -7.092 -16.466 85 HH22 ARG 9 HH22 ARG 9 18.505 -8.537 -15.512 86 H VAL 10 H VAL 10 18.647 -4.170 -21.514 87 HA VAL 10 HA VAL 10 16.359 -4.044 -23.371 88 HB VAL 10 HB VAL 10 16.016 -2.366 -21.706 89 HG11 VAL 10 HG11 VAL 10 18.880 -2.207 -21.737 90 HG12 VAL 10 HG12 VAL 10 18.183 -0.599 -21.945 91 HG13 VAL 10 HG13 VAL 10 17.740 -1.580 -20.547 92 HG21 VAL 10 HG21 VAL 10 17.236 -0.744 -23.893 93 HG22 VAL 10 HG22 VAL 10 15.889 -1.821 -24.261 94 HG23 VAL 10 HG23 VAL 10 15.691 -0.538 -23.068 95 H ARG 11 H ARG 11 17.042 -4.347 -25.383 96 HA ARG 11 HA ARG 11 18.307 -4.294 -27.275 97 HB2 ARG 11 HB2 ARG 11 18.949 -1.616 -26.053 98 HB3 ARG 11 HB3 ARG 11 19.591 -2.105 -27.615 99 HG2 ARG 11 HG2 ARG 11 17.205 -2.489 -28.339 100 HG3 ARG 11 HG3 ARG 11 16.719 -1.680 -26.847 101 HD2 ARG 11 HD2 ARG 11 18.294 -0.550 -29.148 102 HD3 ARG 11 HD3 ARG 11 16.718 -0.031 -28.552 103 HE ARG 11 HE ARG 11 18.437 0.308 -26.441 104 HH11 ARG 11 HH11 ARG 11 18.239 1.464 -29.719 105 HH12 ARG 11 HH12 ARG 11 19.024 2.969 -29.373 106 HH21 ARG 11 HH21 ARG 11 19.471 2.287 -25.973 107 HH22 ARG 11 HH22 ARG 11 19.725 3.436 -27.243 108 H GLY 12 H GLY 12 19.461 -5.448 -24.791 109 HA2 GLY 12 HA2 GLY 12 21.435 -6.682 -24.545 110 HA3 GLY 12 HA3 GLY 12 22.182 -5.692 -25.790 111 H VAL 13 H VAL 13 20.515 -4.389 -22.992 112 HA VAL 13 HA VAL 13 23.101 -3.655 -21.802 113 HB VAL 13 HB VAL 13 20.800 -1.716 -21.964 114 HG11 VAL 13 HG11 VAL 13 22.649 -0.087 -21.472 115 HG12 VAL 13 HG12 VAL 13 22.280 -1.218 -20.169 116 HG13 VAL 13 HG13 VAL 13 23.698 -1.475 -21.185 117 HG21 VAL 13 HG21 VAL 13 23.179 -1.979 -23.795 118 HG22 VAL 13 HG22 VAL 13 21.475 -2.105 -24.231 119 HG23 VAL 13 HG23 VAL 13 22.141 -0.555 -23.718 120 H LEU 14 H LEU 14 23.166 -3.633 -19.596 121 HA LEU 14 HA LEU 14 20.891 -4.828 -18.237 122 HB2 LEU 14 HB2 LEU 14 23.185 -5.692 -17.908 123 HB3 LEU 14 HB3 LEU 14 23.632 -4.151 -17.181 124 HG LEU 14 HG LEU 14 23.130 -6.134 -15.632 125 HD11 LEU 14 HD11 LEU 14 22.404 -4.689 -13.931 126 HD12 LEU 14 HD12 LEU 14 21.540 -3.650 -15.065 127 HD13 LEU 14 HD13 LEU 14 23.303 -3.664 -15.050 128 HD21 LEU 14 HD21 LEU 14 20.867 -6.396 -17.031 129 HD22 LEU 14 HD22 LEU 14 20.286 -5.330 -15.751 130 HD23 LEU 14 HD23 LEU 14 21.014 -6.885 -15.342 131 H VAL 15 H VAL 15 19.357 -3.358 -17.760 132 HA VAL 15 HA VAL 15 20.194 -0.866 -16.432 133 HB VAL 15 HB VAL 15 17.958 0.013 -17.018 134 HG11 VAL 15 HG11 VAL 15 18.370 0.218 -19.458 135 HG12 VAL 15 HG12 VAL 15 19.801 0.531 -18.473 136 HG13 VAL 15 HG13 VAL 15 19.625 -1.011 -19.311 137 HG21 VAL 15 HG21 VAL 15 17.633 -2.431 -18.743 138 HG22 VAL 15 HG22 VAL 15 16.904 -2.282 -17.144 139 HG23 VAL 15 HG23 VAL 15 16.455 -1.157 -18.426 140 H ARG 16 H ARG 16 18.768 -0.064 -14.711 141 HA ARG 16 HA ARG 16 17.722 -2.296 -13.103 142 HB2 ARG 16 HB2 ARG 16 19.382 -1.383 -11.789 143 HB3 ARG 16 HB3 ARG 16 19.127 0.243 -12.410 144 HG2 ARG 16 HG2 ARG 16 17.094 0.450 -11.101 145 HG3 ARG 16 HG3 ARG 16 17.289 -1.202 -10.513 146 HD2 ARG 16 HD2 ARG 16 18.993 -0.644 -9.103 147 HD3 ARG 16 HD3 ARG 16 19.558 0.671 -10.133 148 HE ARG 16 HE ARG 16 17.209 1.618 -9.249 149 HH11 ARG 16 HH11 ARG 16 19.903 0.158 -7.597 150 HH12 ARG 16 HH12 ARG 16 19.647 1.038 -6.127 151 HH21 ARG 16 HH21 ARG 16 16.861 2.783 -7.319 152 HH22 ARG 16 HH22 ARG 16 17.916 2.531 -5.970 153 H TYR 17 H TYR 17 15.664 -2.270 -12.368 154 HA TYR 17 HA TYR 17 14.078 0.158 -12.496 155 HB2 TYR 17 HB2 TYR 17 12.425 -0.647 -13.989 156 HB3 TYR 17 HB3 TYR 17 13.965 -0.979 -14.773 157 HD1 TYR 17 HD1 TYR 17 14.950 -3.412 -13.951 158 HD2 TYR 17 HD2 TYR 17 10.851 -2.304 -14.230 159 HE1 TYR 17 HE1 TYR 17 14.331 -5.782 -14.171 160 HE2 TYR 17 HE2 TYR 17 10.221 -4.671 -14.450 161 HH TYR 17 HH TYR 17 12.411 -7.099 -15.145 162 H ARG 18 H ARG 18 11.672 -0.525 -11.895 163 HA ARG 18 HA ARG 18 11.517 -2.752 -10.066 164 HB2 ARG 18 HB2 ARG 18 11.176 -1.540 -8.061 165 HB3 ARG 18 HB3 ARG 18 12.630 -0.866 -8.784 166 HG2 ARG 18 HG2 ARG 18 9.878 0.343 -8.972 167 HG3 ARG 18 HG3 ARG 18 11.149 0.856 -7.860 168 HD2 ARG 18 HD2 ARG 18 11.061 1.082 -10.851 169 HD3 ARG 18 HD3 ARG 18 11.281 2.358 -9.654 170 HE ARG 18 HE ARG 18 13.352 0.311 -9.865 171 HH11 ARG 18 HH11 ARG 18 12.296 3.568 -10.496 172 HH12 ARG 18 HH12 ARG 18 13.894 4.165 -10.801 173 HH21 ARG 18 HH21 ARG 18 15.460 1.086 -10.263 174 HH22 ARG 18 HH22 ARG 18 15.692 2.753 -10.669 175 H ARG 19 H ARG 19 9.309 -2.657 -8.880 176 HA ARG 19 HA ARG 19 7.279 -1.426 -10.612 177 HB2 ARG 19 HB2 ARG 19 7.477 -3.753 -11.299 178 HB3 ARG 19 HB3 ARG 19 7.293 -4.286 -9.633 179 HG2 ARG 19 HG2 ARG 19 5.165 -4.607 -10.319 180 HG3 ARG 19 HG3 ARG 19 5.028 -2.907 -9.866 181 HD2 ARG 19 HD2 ARG 19 5.866 -3.619 -12.639 182 HD3 ARG 19 HD3 ARG 19 4.165 -3.748 -12.194 183 HE ARG 19 HE ARG 19 5.077 -1.241 -11.379 184 HH11 ARG 19 HH11 ARG 19 4.531 -3.013 -14.326 185 HH12 ARG 19 HH12 ARG 19 4.199 -1.598 -15.269 186 HH21 ARG 19 HH21 ARG 19 4.642 0.629 -12.610 187 HH22 ARG 19 HH22 ARG 19 4.263 0.473 -14.292 188 H CYS 20 H CYS 20 5.859 -0.274 -9.491 189 HA CYS 20 HA CYS 20 5.490 -0.900 -6.635 190 HB2 CYS 20 HB2 CYS 20 5.456 1.765 -8.056 191 HB3 CYS 20 HB3 CYS 20 4.903 1.544 -6.400 192 H TRP 21 H TRP 21 3.562 -1.722 -6.208 193 HA TRP 21 HA TRP 21 1.250 -0.767 -7.767 194 HB2 TRP 21 HB2 TRP 21 0.265 -3.016 -7.550 195 HB3 TRP 21 HB3 TRP 21 1.795 -3.056 -8.423 196 HD1 TRP 21 HD1 TRP 21 0.243 -4.069 -5.062 197 HE1 TRP 21 HE1 TRP 21 1.771 -5.818 -3.953 198 HE3 TRP 21 HE3 TRP 21 4.173 -3.901 -8.328 199 HZ2 TRP 21 HZ2 TRP 21 4.307 -6.973 -4.402 200 HZ3 TRP 21 HZ3 TRP 21 6.111 -5.360 -7.916 201 HH2 TRP 21 HH2 TRP 21 6.175 -6.863 -5.993 Start of MODEL 7 1 H ARG 1 H ARG 1 1.432 0.755 0.584 2 HA ARG 1 HA ARG 1 1.281 -0.537 -1.998 3 HB2 ARG 1 HB2 ARG 1 2.773 1.242 -2.750 4 HB3 ARG 1 HB3 ARG 1 1.423 1.908 -1.840 5 HG2 ARG 1 HG2 ARG 1 2.999 1.886 0.170 6 HG3 ARG 1 HG3 ARG 1 4.289 1.637 -1.009 7 HD2 ARG 1 HD2 ARG 1 3.772 3.696 -2.109 8 HD3 ARG 1 HD3 ARG 1 2.310 3.903 -1.146 9 HE ARG 1 HE ARG 1 4.735 3.765 0.401 10 HH11 ARG 1 HH11 ARG 1 2.536 5.834 -1.331 11 HH12 ARG 1 HH12 ARG 1 2.990 7.263 -0.463 12 HH21 ARG 1 HH21 ARG 1 5.341 5.639 1.552 13 HH22 ARG 1 HH22 ARG 1 4.586 7.151 1.177 14 H TRP 2 H TRP 2 3.012 -1.513 -3.094 15 HA TRP 2 HA TRP 2 5.332 -2.247 -1.445 16 HB2 TRP 2 HB2 TRP 2 3.529 -4.065 -1.578 17 HB3 TRP 2 HB3 TRP 2 3.976 -4.221 -3.274 18 HD1 TRP 2 HD1 TRP 2 6.655 -4.897 -3.710 19 HE1 TRP 2 HE1 TRP 2 8.140 -6.498 -2.347 20 HE3 TRP 2 HE3 TRP 2 3.978 -4.980 0.646 21 HZ2 TRP 2 HZ2 TRP 2 8.172 -7.645 0.232 22 HZ3 TRP 2 HZ3 TRP 2 4.804 -6.355 2.512 23 HH2 TRP 2 HH2 TRP 2 6.858 -7.659 2.307 24 H CYS 3 H CYS 3 7.266 -2.444 -2.521 25 HA CYS 3 HA CYS 3 7.278 -2.172 -5.433 26 HB2 CYS 3 HB2 CYS 3 8.805 -0.336 -3.574 27 HB3 CYS 3 HB3 CYS 3 8.952 -0.365 -5.329 28 H VAL 4 H VAL 4 8.869 -3.300 -6.403 29 HA VAL 4 HA VAL 4 11.047 -4.348 -4.722 30 HB VAL 4 HB VAL 4 10.861 -6.415 -6.314 31 HG11 VAL 4 HG11 VAL 4 8.926 -5.954 -4.046 32 HG12 VAL 4 HG12 VAL 4 9.400 -7.528 -4.689 33 HG13 VAL 4 HG13 VAL 4 10.596 -6.501 -3.896 34 HG21 VAL 4 HG21 VAL 4 8.026 -5.384 -6.357 35 HG22 VAL 4 HG22 VAL 4 9.115 -5.453 -7.743 36 HG23 VAL 4 HG23 VAL 4 8.575 -6.944 -6.971 37 H TYR 5 H TYR 5 13.040 -4.273 -5.598 38 HA TYR 5 HA TYR 5 13.313 -2.983 -8.192 39 HB2 TYR 5 HB2 TYR 5 15.480 -3.731 -6.221 40 HB3 TYR 5 HB3 TYR 5 15.626 -2.629 -7.586 41 HD1 TYR 5 HD1 TYR 5 14.666 -2.983 -4.125 42 HD2 TYR 5 HD2 TYR 5 14.401 -0.442 -7.527 43 HE1 TYR 5 HE1 TYR 5 14.047 -1.103 -2.665 44 HE2 TYR 5 HE2 TYR 5 13.783 1.445 -6.077 45 HH TYR 5 HH TYR 5 12.619 1.587 -3.639 46 H ALA 6 H ALA 6 14.394 -3.841 -9.942 47 HA ALA 6 HA ALA 6 15.580 -6.475 -9.798 48 HB1 ALA 6 HB1 ALA 6 13.006 -5.988 -11.274 49 HB2 ALA 6 HB2 ALA 6 14.085 -7.331 -11.652 50 HB3 ALA 6 HB3 ALA 6 13.353 -7.212 -10.052 51 H TYR 7 H TYR 7 16.011 -7.178 -12.260 52 HA TYR 7 HA TYR 7 17.079 -4.793 -13.624 53 HB2 TYR 7 HB2 TYR 7 18.326 -7.474 -13.107 54 HB3 TYR 7 HB3 TYR 7 18.830 -6.519 -14.497 55 HD1 TYR 7 HD1 TYR 7 20.096 -4.477 -14.212 56 HD2 TYR 7 HD2 TYR 7 18.800 -6.717 -10.835 57 HE1 TYR 7 HE1 TYR 7 21.629 -3.193 -12.780 58 HE2 TYR 7 HE2 TYR 7 20.329 -5.439 -9.393 59 HH TYR 7 HH TYR 7 22.556 -4.122 -9.785 60 H ARG 8 H ARG 8 16.840 -4.650 -15.815 61 HA ARG 8 HA ARG 8 15.537 -6.889 -17.200 62 HB2 ARG 8 HB2 ARG 8 13.864 -5.532 -18.142 63 HB3 ARG 8 HB3 ARG 8 13.911 -5.064 -16.448 64 HG2 ARG 8 HG2 ARG 8 15.640 -3.278 -17.441 65 HG3 ARG 8 HG3 ARG 8 14.624 -3.529 -18.862 66 HD2 ARG 8 HD2 ARG 8 12.652 -3.192 -17.240 67 HD3 ARG 8 HD3 ARG 8 13.856 -2.508 -16.149 68 HE ARG 8 HE ARG 8 14.253 -1.176 -18.487 69 HH11 ARG 8 HH11 ARG 8 11.496 -1.731 -16.435 70 HH12 ARG 8 HH12 ARG 8 10.726 -0.233 -16.844 71 HH21 ARG 8 HH21 ARG 8 13.250 0.799 -19.033 72 HH22 ARG 8 HH22 ARG 8 11.724 1.204 -18.322 73 H ARG 9 H ARG 9 16.150 -7.197 -19.296 74 HA ARG 9 HA ARG 9 18.497 -5.734 -20.173 75 HB2 ARG 9 HB2 ARG 9 17.502 -8.373 -20.510 76 HB3 ARG 9 HB3 ARG 9 17.623 -7.648 -22.108 77 HG2 ARG 9 HG2 ARG 9 19.688 -8.666 -21.784 78 HG3 ARG 9 HG3 ARG 9 19.989 -6.967 -21.416 79 HD2 ARG 9 HD2 ARG 9 21.002 -8.584 -19.798 80 HD3 ARG 9 HD3 ARG 9 19.932 -7.387 -19.071 81 HE ARG 9 HE ARG 9 18.598 -9.096 -18.371 82 HH11 ARG 9 HH11 ARG 9 20.553 -10.230 -21.020 83 HH12 ARG 9 HH12 ARG 9 20.000 -11.867 -20.898 84 HH21 ARG 9 HH21 ARG 9 17.862 -11.248 -18.201 85 HH22 ARG 9 HH22 ARG 9 18.469 -12.445 -19.295 86 H VAL 10 H VAL 10 18.638 -4.432 -21.946 87 HA VAL 10 HA VAL 10 16.316 -4.112 -23.683 88 HB VAL 10 HB VAL 10 15.788 -2.458 -22.071 89 HG11 VAL 10 HG11 VAL 10 17.369 -1.725 -20.692 90 HG12 VAL 10 HG12 VAL 10 18.643 -2.286 -21.777 91 HG13 VAL 10 HG13 VAL 10 17.947 -0.679 -21.988 92 HG21 VAL 10 HG21 VAL 10 15.423 -0.801 -23.534 93 HG22 VAL 10 HG22 VAL 10 17.144 -0.562 -23.836 94 HG23 VAL 10 HG23 VAL 10 16.266 -1.830 -24.691 95 H ARG 11 H ARG 11 17.142 -4.373 -25.647 96 HA ARG 11 HA ARG 11 18.533 -4.269 -27.446 97 HB2 ARG 11 HB2 ARG 11 18.909 -1.583 -26.158 98 HB3 ARG 11 HB3 ARG 11 19.825 -2.017 -27.595 99 HG2 ARG 11 HG2 ARG 11 17.777 -2.354 -28.839 100 HG3 ARG 11 HG3 ARG 11 16.821 -2.023 -27.393 101 HD2 ARG 11 HD2 ARG 11 18.798 -0.006 -28.368 102 HD3 ARG 11 HD3 ARG 11 17.226 -0.143 -29.155 103 HE ARG 11 HE ARG 11 17.772 1.011 -26.603 104 HH11 ARG 11 HH11 ARG 11 15.374 -0.702 -28.457 105 HH12 ARG 11 HH12 ARG 11 14.037 -0.083 -27.544 106 HH21 ARG 11 HH21 ARG 11 16.020 1.831 -25.393 107 HH22 ARG 11 HH22 ARG 11 14.406 1.358 -25.802 108 H GLY 12 H GLY 12 19.571 -5.856 -25.525 109 HA2 GLY 12 HA2 GLY 12 21.563 -6.916 -25.057 110 HA3 GLY 12 HA3 GLY 12 22.366 -5.752 -26.100 111 H VAL 13 H VAL 13 20.566 -4.094 -23.850 112 HA VAL 13 HA VAL 13 22.959 -3.636 -22.206 113 HB VAL 13 HB VAL 13 20.516 -1.877 -22.280 114 HG11 VAL 13 HG11 VAL 13 21.754 -1.215 -20.463 115 HG12 VAL 13 HG12 VAL 13 23.289 -1.668 -21.206 116 HG13 VAL 13 HG13 VAL 13 22.455 -0.203 -21.726 117 HG21 VAL 13 HG21 VAL 13 21.355 -2.089 -24.563 118 HG22 VAL 13 HG22 VAL 13 21.675 -0.479 -23.919 119 HG23 VAL 13 HG23 VAL 13 22.976 -1.665 -24.014 120 H LEU 14 H LEU 14 22.622 -3.200 -19.898 121 HA LEU 14 HA LEU 14 20.277 -4.583 -18.785 122 HB2 LEU 14 HB2 LEU 14 22.177 -6.109 -18.742 123 HB3 LEU 14 HB3 LEU 14 23.139 -4.902 -17.891 124 HG LEU 14 HG LEU 14 22.090 -6.883 -16.579 125 HD11 LEU 14 HD11 LEU 14 21.626 -4.138 -15.456 126 HD12 LEU 14 HD12 LEU 14 23.244 -4.790 -15.711 127 HD13 LEU 14 HD13 LEU 14 22.129 -5.604 -14.613 128 HD21 LEU 14 HD21 LEU 14 19.883 -6.864 -16.085 129 HD22 LEU 14 HD22 LEU 14 19.780 -6.042 -17.643 130 HD23 LEU 14 HD23 LEU 14 19.770 -5.105 -16.148 131 H VAL 15 H VAL 15 19.175 -3.079 -17.718 132 HA VAL 15 HA VAL 15 20.677 -1.153 -16.065 133 HB VAL 15 HB VAL 15 18.541 0.253 -16.263 134 HG11 VAL 15 HG11 VAL 15 20.797 0.594 -17.418 135 HG12 VAL 15 HG12 VAL 15 20.016 -0.065 -18.857 136 HG13 VAL 15 HG13 VAL 15 19.395 1.408 -18.111 137 HG21 VAL 15 HG21 VAL 15 17.087 -1.454 -17.184 138 HG22 VAL 15 HG22 VAL 15 17.241 -0.116 -18.322 139 HG23 VAL 15 HG23 VAL 15 18.130 -1.614 -18.597 140 H ARG 16 H ARG 16 19.197 -0.232 -14.267 141 HA ARG 16 HA ARG 16 17.904 -2.519 -12.940 142 HB2 ARG 16 HB2 ARG 16 19.784 -1.823 -11.664 143 HB3 ARG 16 HB3 ARG 16 19.362 -0.125 -11.836 144 HG2 ARG 16 HG2 ARG 16 17.398 -1.886 -10.490 145 HG3 ARG 16 HG3 ARG 16 18.883 -1.496 -9.619 146 HD2 ARG 16 HD2 ARG 16 17.412 0.723 -10.938 147 HD3 ARG 16 HD3 ARG 16 16.720 0.031 -9.471 148 HE ARG 16 HE ARG 16 19.259 0.485 -8.734 149 HH11 ARG 16 HH11 ARG 16 16.903 2.488 -10.333 150 HH12 ARG 16 HH12 ARG 16 17.527 3.968 -9.682 151 HH21 ARG 16 HH21 ARG 16 20.090 2.426 -7.871 152 HH22 ARG 16 HH22 ARG 16 19.340 3.931 -8.282 153 H TYR 17 H TYR 17 15.924 -2.256 -11.917 154 HA TYR 17 HA TYR 17 14.590 0.304 -11.926 155 HB2 TYR 17 HB2 TYR 17 12.820 -0.229 -13.410 156 HB3 TYR 17 HB3 TYR 17 14.297 -0.665 -14.262 157 HD1 TYR 17 HD1 TYR 17 11.075 -1.698 -13.687 158 HD2 TYR 17 HD2 TYR 17 15.044 -3.232 -13.638 159 HE1 TYR 17 HE1 TYR 17 10.196 -3.969 -14.035 160 HE2 TYR 17 HE2 TYR 17 14.175 -5.507 -13.987 161 HH TYR 17 HH TYR 17 12.296 -6.671 -14.698 162 H ARG 18 H ARG 18 11.977 -0.575 -11.628 163 HA ARG 18 HA ARG 18 11.924 -2.639 -9.596 164 HB2 ARG 18 HB2 ARG 18 10.996 -1.220 -7.854 165 HB3 ARG 18 HB3 ARG 18 12.581 -0.626 -8.333 166 HG2 ARG 18 HG2 ARG 18 10.063 0.510 -9.495 167 HG3 ARG 18 HG3 ARG 18 10.725 1.083 -7.963 168 HD2 ARG 18 HD2 ARG 18 11.887 1.265 -10.716 169 HD3 ARG 18 HD3 ARG 18 11.639 2.543 -9.526 170 HE ARG 18 HE ARG 18 13.754 0.496 -9.399 171 HH11 ARG 18 HH11 ARG 18 12.459 3.612 -8.541 172 HH12 ARG 18 HH12 ARG 18 13.905 4.138 -7.744 173 HH21 ARG 18 HH21 ARG 18 15.663 1.178 -8.353 174 HH22 ARG 18 HH22 ARG 18 15.726 2.753 -7.638 175 H ARG 19 H ARG 19 9.467 -2.177 -8.496 176 HA ARG 19 HA ARG 19 7.538 -1.617 -10.573 177 HB2 ARG 19 HB2 ARG 19 8.046 -3.881 -11.182 178 HB3 ARG 19 HB3 ARG 19 7.942 -4.413 -9.509 179 HG2 ARG 19 HG2 ARG 19 5.667 -4.453 -9.514 180 HG3 ARG 19 HG3 ARG 19 5.537 -3.165 -10.713 181 HD2 ARG 19 HD2 ARG 19 4.831 -5.122 -11.814 182 HD3 ARG 19 HD3 ARG 19 6.473 -4.825 -12.386 183 HE ARG 19 HE ARG 19 6.612 -6.535 -10.180 184 HH11 ARG 19 HH11 ARG 19 5.433 -6.536 -13.456 185 HH12 ARG 19 HH12 ARG 19 5.655 -8.241 -13.673 186 HH21 ARG 19 HH21 ARG 19 6.908 -8.780 -10.454 187 HH22 ARG 19 HH22 ARG 19 6.493 -9.516 -11.965 188 H CYS 20 H CYS 20 6.220 -0.325 -9.468 189 HA CYS 20 HA CYS 20 5.488 -1.066 -6.717 190 HB2 CYS 20 HB2 CYS 20 5.348 1.603 -8.132 191 HB3 CYS 20 HB3 CYS 20 4.772 1.311 -6.494 192 H TRP 21 H TRP 21 3.518 -1.827 -6.355 193 HA TRP 21 HA TRP 21 1.370 -1.138 -8.250 194 HB2 TRP 21 HB2 TRP 21 0.486 -3.385 -8.082 195 HB3 TRP 21 HB3 TRP 21 2.174 -3.469 -8.578 196 HD1 TRP 21 HD1 TRP 21 -0.060 -4.105 -5.506 197 HE1 TRP 21 HE1 TRP 21 1.166 -5.739 -3.940 198 HE3 TRP 21 HE3 TRP 21 4.418 -4.373 -7.958 199 HZ2 TRP 21 HZ2 TRP 21 3.696 -6.978 -3.768 200 HZ3 TRP 21 HZ3 TRP 21 6.188 -5.805 -7.026 201 HH2 TRP 21 HH2 TRP 21 5.834 -7.079 -4.974 Start of MODEL 8 1 H ARG 1 H ARG 1 1.231 -0.088 0.210 2 HA ARG 1 HA ARG 1 1.133 -0.615 -2.674 3 HB2 ARG 1 HB2 ARG 1 2.886 1.120 -3.027 4 HB3 ARG 1 HB3 ARG 1 1.335 1.778 -2.524 5 HG2 ARG 1 HG2 ARG 1 2.225 1.873 -0.190 6 HG3 ARG 1 HG3 ARG 1 3.803 1.426 -0.843 7 HD2 ARG 1 HD2 ARG 1 3.766 3.797 -0.636 8 HD3 ARG 1 HD3 ARG 1 3.641 3.418 -2.353 9 HE ARG 1 HE ARG 1 1.593 4.422 -2.373 10 HH11 ARG 1 HH11 ARG 1 2.413 3.623 0.915 11 HH12 ARG 1 HH12 ARG 1 1.036 4.427 1.592 12 HH21 ARG 1 HH21 ARG 1 -0.225 5.484 -1.494 13 HH22 ARG 1 HH22 ARG 1 -0.464 5.484 0.221 14 H TRP 2 H TRP 2 3.283 -1.220 -3.556 15 HA TRP 2 HA TRP 2 5.268 -2.130 -1.659 16 HB2 TRP 2 HB2 TRP 2 3.508 -3.946 -1.758 17 HB3 TRP 2 HB3 TRP 2 3.944 -4.171 -3.450 18 HD1 TRP 2 HD1 TRP 2 6.600 -4.921 -3.875 19 HE1 TRP 2 HE1 TRP 2 8.068 -6.491 -2.459 20 HE3 TRP 2 HE3 TRP 2 3.965 -4.767 0.503 21 HZ2 TRP 2 HZ2 TRP 2 8.104 -7.527 0.166 22 HZ3 TRP 2 HZ3 TRP 2 4.784 -6.076 2.419 23 HH2 TRP 2 HH2 TRP 2 6.810 -7.427 2.252 24 H CYS 3 H CYS 3 7.258 -2.101 -2.530 25 HA CYS 3 HA CYS 3 7.475 -1.978 -5.465 26 HB2 CYS 3 HB2 CYS 3 8.921 -0.304 -3.407 27 HB3 CYS 3 HB3 CYS 3 9.405 -0.396 -5.097 28 H VAL 4 H VAL 4 9.175 -3.049 -6.401 29 HA VAL 4 HA VAL 4 11.087 -4.405 -4.635 30 HB VAL 4 HB VAL 4 10.841 -6.429 -6.210 31 HG11 VAL 4 HG11 VAL 4 10.253 -6.637 -3.922 32 HG12 VAL 4 HG12 VAL 4 8.785 -5.682 -4.142 33 HG13 VAL 4 HG13 VAL 4 8.904 -7.293 -4.849 34 HG21 VAL 4 HG21 VAL 4 8.179 -5.087 -6.671 35 HG22 VAL 4 HG22 VAL 4 9.433 -5.354 -7.882 36 HG23 VAL 4 HG23 VAL 4 8.598 -6.729 -7.159 37 H TYR 5 H TYR 5 13.124 -4.377 -5.370 38 HA TYR 5 HA TYR 5 13.662 -3.039 -7.880 39 HB2 TYR 5 HB2 TYR 5 15.474 -4.050 -5.684 40 HB3 TYR 5 HB3 TYR 5 16.057 -3.243 -7.135 41 HD1 TYR 5 HD1 TYR 5 15.562 -0.856 -7.511 42 HD2 TYR 5 HD2 TYR 5 14.450 -2.816 -3.901 43 HE1 TYR 5 HE1 TYR 5 15.241 1.329 -6.430 44 HE2 TYR 5 HE2 TYR 5 14.125 -0.636 -2.811 45 HH TYR 5 HH TYR 5 14.773 2.398 -4.539 46 H ALA 6 H ALA 6 14.508 -3.927 -9.694 47 HA ALA 6 HA ALA 6 15.567 -6.616 -9.702 48 HB1 ALA 6 HB1 ALA 6 13.070 -6.012 -11.280 49 HB2 ALA 6 HB2 ALA 6 13.975 -7.526 -11.283 50 HB3 ALA 6 HB3 ALA 6 13.139 -7.001 -9.822 51 H TYR 7 H TYR 7 15.982 -7.268 -12.120 52 HA TYR 7 HA TYR 7 17.034 -4.881 -13.492 53 HB2 TYR 7 HB2 TYR 7 18.221 -7.559 -12.964 54 HB3 TYR 7 HB3 TYR 7 18.610 -6.786 -14.496 55 HD1 TYR 7 HD1 TYR 7 19.877 -4.688 -14.544 56 HD2 TYR 7 HD2 TYR 7 19.065 -6.692 -10.880 57 HE1 TYR 7 HE1 TYR 7 21.603 -3.336 -13.429 58 HE2 TYR 7 HE2 TYR 7 20.787 -5.344 -9.754 59 HH TYR 7 HH TYR 7 23.035 -4.050 -10.725 60 H ARG 8 H ARG 8 17.120 -4.960 -15.815 61 HA ARG 8 HA ARG 8 15.532 -7.005 -17.143 62 HB2 ARG 8 HB2 ARG 8 14.116 -5.286 -18.267 63 HB3 ARG 8 HB3 ARG 8 13.816 -5.432 -16.540 64 HG2 ARG 8 HG2 ARG 8 13.876 -3.172 -16.711 65 HG3 ARG 8 HG3 ARG 8 15.593 -3.474 -16.437 66 HD2 ARG 8 HD2 ARG 8 15.193 -1.897 -18.287 67 HD3 ARG 8 HD3 ARG 8 16.029 -3.358 -18.812 68 HE ARG 8 HE ARG 8 14.242 -3.851 -20.149 69 HH11 ARG 8 HH11 ARG 8 13.272 -1.478 -17.795 70 HH12 ARG 8 HH12 ARG 8 11.716 -1.214 -18.509 71 HH21 ARG 8 HH21 ARG 8 12.197 -3.513 -21.100 72 HH22 ARG 8 HH22 ARG 8 11.105 -2.373 -20.389 73 H ARG 9 H ARG 9 15.826 -7.069 -19.411 74 HA ARG 9 HA ARG 9 18.316 -5.792 -20.270 75 HB2 ARG 9 HB2 ARG 9 17.159 -8.370 -20.658 76 HB3 ARG 9 HB3 ARG 9 17.322 -7.601 -22.231 77 HG2 ARG 9 HG2 ARG 9 19.334 -8.702 -21.998 78 HG3 ARG 9 HG3 ARG 9 19.731 -7.070 -21.455 79 HD2 ARG 9 HD2 ARG 9 20.650 -8.821 -19.979 80 HD3 ARG 9 HD3 ARG 9 19.528 -7.745 -19.147 81 HE ARG 9 HE ARG 9 18.096 -9.516 -18.840 82 HH11 ARG 9 HH11 ARG 9 20.576 -10.397 -21.120 83 HH12 ARG 9 HH12 ARG 9 20.147 -12.075 -21.136 84 HH21 ARG 9 HH21 ARG 9 17.522 -11.724 -18.853 85 HH22 ARG 9 HH22 ARG 9 18.410 -12.829 -19.846 86 H VAL 10 H VAL 10 18.446 -4.409 -21.966 87 HA VAL 10 HA VAL 10 16.112 -3.968 -23.659 88 HB VAL 10 HB VAL 10 15.633 -2.374 -21.973 89 HG11 VAL 10 HG11 VAL 10 17.301 -1.860 -20.578 90 HG12 VAL 10 HG12 VAL 10 18.535 -2.173 -21.801 91 HG13 VAL 10 HG13 VAL 10 17.726 -0.607 -21.744 92 HG21 VAL 10 HG21 VAL 10 15.280 -0.657 -23.365 93 HG22 VAL 10 HG22 VAL 10 17.003 -0.426 -23.665 94 HG23 VAL 10 HG23 VAL 10 16.106 -1.644 -24.571 95 H ARG 11 H ARG 11 16.997 -4.305 -25.599 96 HA ARG 11 HA ARG 11 18.331 -4.085 -27.428 97 HB2 ARG 11 HB2 ARG 11 19.241 -1.533 -26.085 98 HB3 ARG 11 HB3 ARG 11 19.444 -1.942 -27.783 99 HG2 ARG 11 HG2 ARG 11 16.692 -1.938 -26.671 100 HG3 ARG 11 HG3 ARG 11 17.487 -0.386 -26.945 101 HD2 ARG 11 HD2 ARG 11 17.938 -1.081 -29.279 102 HD3 ARG 11 HD3 ARG 11 17.031 -2.563 -28.981 103 HE ARG 11 HE ARG 11 15.490 -0.257 -28.354 104 HH11 ARG 11 HH11 ARG 11 16.645 -2.192 -31.008 105 HH12 ARG 11 HH12 ARG 11 15.335 -1.766 -32.059 106 HH21 ARG 11 HH21 ARG 11 13.761 0.312 -29.729 107 HH22 ARG 11 HH22 ARG 11 13.696 -0.341 -31.331 108 H GLY 12 H GLY 12 19.311 -5.788 -25.542 109 HA2 GLY 12 HA2 GLY 12 21.255 -6.957 -25.135 110 HA3 GLY 12 HA3 GLY 12 22.095 -5.816 -26.175 111 H VAL 13 H VAL 13 20.416 -4.140 -23.832 112 HA VAL 13 HA VAL 13 22.853 -3.893 -22.196 113 HB VAL 13 HB VAL 13 20.661 -1.847 -22.203 114 HG11 VAL 13 HG11 VAL 13 23.416 -2.083 -21.224 115 HG12 VAL 13 HG12 VAL 13 23.039 -0.546 -22.003 116 HG13 VAL 13 HG13 VAL 13 22.080 -1.099 -20.630 117 HG21 VAL 13 HG21 VAL 13 22.911 -2.044 -24.202 118 HG22 VAL 13 HG22 VAL 13 21.185 -2.152 -24.544 119 HG23 VAL 13 HG23 VAL 13 21.878 -0.633 -23.978 120 H LEU 14 H LEU 14 22.444 -3.254 -19.894 121 HA LEU 14 HA LEU 14 19.983 -4.458 -18.830 122 HB2 LEU 14 HB2 LEU 14 21.762 -6.103 -18.643 123 HB3 LEU 14 HB3 LEU 14 22.786 -4.926 -17.823 124 HG LEU 14 HG LEU 14 21.330 -4.944 -15.894 125 HD11 LEU 14 HD11 LEU 14 19.496 -6.219 -17.760 126 HD12 LEU 14 HD12 LEU 14 19.168 -5.336 -16.270 127 HD13 LEU 14 HD13 LEU 14 19.593 -7.046 -16.205 128 HD21 LEU 14 HD21 LEU 14 22.968 -6.570 -15.665 129 HD22 LEU 14 HD22 LEU 14 22.290 -7.578 -16.943 130 HD23 LEU 14 HD23 LEU 14 21.480 -7.473 -15.379 131 H VAL 15 H VAL 15 18.958 -3.170 -17.452 132 HA VAL 15 HA VAL 15 20.510 -1.109 -16.027 133 HB VAL 15 HB VAL 15 18.387 0.303 -16.176 134 HG11 VAL 15 HG11 VAL 15 20.432 0.830 -17.397 135 HG12 VAL 15 HG12 VAL 15 19.941 -0.251 -18.702 136 HG13 VAL 15 HG13 VAL 15 19.006 1.205 -18.362 137 HG21 VAL 15 HG21 VAL 15 16.963 -0.146 -18.143 138 HG22 VAL 15 HG22 VAL 15 17.808 -1.676 -18.379 139 HG23 VAL 15 HG23 VAL 15 16.852 -1.413 -16.921 140 H ARG 16 H ARG 16 19.230 -0.189 -14.141 141 HA ARG 16 HA ARG 16 17.933 -2.418 -12.727 142 HB2 ARG 16 HB2 ARG 16 19.967 -1.667 -11.647 143 HB3 ARG 16 HB3 ARG 16 19.403 -0.002 -11.665 144 HG2 ARG 16 HG2 ARG 16 17.399 -1.058 -10.290 145 HG3 ARG 16 HG3 ARG 16 18.641 -2.247 -9.890 146 HD2 ARG 16 HD2 ARG 16 19.356 0.628 -9.691 147 HD3 ARG 16 HD3 ARG 16 18.279 -0.036 -8.463 148 HE ARG 16 HE ARG 16 20.406 -1.789 -8.667 149 HH11 ARG 16 HH11 ARG 16 19.914 1.554 -7.828 150 HH12 ARG 16 HH12 ARG 16 21.262 1.615 -6.741 151 HH21 ARG 16 HH21 ARG 16 22.184 -1.721 -7.239 152 HH22 ARG 16 HH22 ARG 16 22.553 -0.248 -6.408 153 H TYR 17 H TYR 17 15.907 -2.222 -11.962 154 HA TYR 17 HA TYR 17 14.664 0.365 -11.626 155 HB2 TYR 17 HB2 TYR 17 12.955 0.146 -13.241 156 HB3 TYR 17 HB3 TYR 17 14.440 -0.265 -14.092 157 HD1 TYR 17 HD1 TYR 17 11.146 -1.154 -13.802 158 HD2 TYR 17 HD2 TYR 17 15.007 -2.941 -13.767 159 HE1 TYR 17 HE1 TYR 17 10.153 -3.299 -14.483 160 HE2 TYR 17 HE2 TYR 17 14.025 -5.090 -14.449 161 HH TYR 17 HH TYR 17 11.110 -5.967 -14.118 162 H ARG 18 H ARG 18 12.558 0.227 -10.612 163 HA ARG 18 HA ARG 18 12.132 -2.348 -9.244 164 HB2 ARG 18 HB2 ARG 18 11.322 -1.072 -7.306 165 HB3 ARG 18 HB3 ARG 18 12.987 -0.668 -7.699 166 HG2 ARG 18 HG2 ARG 18 11.014 1.055 -8.994 167 HG3 ARG 18 HG3 ARG 18 10.996 1.129 -7.231 168 HD2 ARG 18 HD2 ARG 18 12.573 2.695 -8.614 169 HD3 ARG 18 HD3 ARG 18 13.130 1.966 -7.108 170 HE ARG 18 HE ARG 18 13.782 0.249 -9.220 171 HH11 ARG 18 HH11 ARG 18 14.635 3.394 -7.993 172 HH12 ARG 18 HH12 ARG 18 16.252 3.341 -8.614 173 HH21 ARG 18 HH21 ARG 18 15.909 0.168 -10.042 174 HH22 ARG 18 HH22 ARG 18 16.975 1.506 -9.780 175 H ARG 19 H ARG 19 10.006 -3.012 -8.868 176 HA ARG 19 HA ARG 19 8.026 -1.714 -10.607 177 HB2 ARG 19 HB2 ARG 19 8.467 -4.048 -11.137 178 HB3 ARG 19 HB3 ARG 19 8.121 -4.516 -9.478 179 HG2 ARG 19 HG2 ARG 19 6.119 -5.030 -10.387 180 HG3 ARG 19 HG3 ARG 19 5.809 -3.325 -10.050 181 HD2 ARG 19 HD2 ARG 19 6.663 -2.860 -12.395 182 HD3 ARG 19 HD3 ARG 19 6.567 -4.599 -12.667 183 HE ARG 19 HE ARG 19 4.131 -3.445 -11.668 184 HH11 ARG 19 HH11 ARG 19 6.013 -4.155 -14.509 185 HH12 ARG 19 HH12 ARG 19 4.645 -4.163 -15.573 186 HH21 ARG 19 HH21 ARG 19 2.322 -3.452 -13.058 187 HH22 ARG 19 HH22 ARG 19 2.546 -3.761 -14.746 188 H CYS 20 H CYS 20 6.398 -0.627 -9.730 189 HA CYS 20 HA CYS 20 5.690 -1.184 -6.923 190 HB2 CYS 20 HB2 CYS 20 5.689 1.468 -8.380 191 HB3 CYS 20 HB3 CYS 20 5.052 1.220 -6.757 192 H TRP 21 H TRP 21 3.738 -2.036 -6.732 193 HA TRP 21 HA TRP 21 1.662 -1.248 -8.671 194 HB2 TRP 21 HB2 TRP 21 0.669 -3.509 -8.311 195 HB3 TRP 21 HB3 TRP 21 2.261 -3.553 -9.064 196 HD1 TRP 21 HD1 TRP 21 0.488 -4.381 -5.767 197 HE1 TRP 21 HE1 TRP 21 1.994 -5.961 -4.403 198 HE3 TRP 21 HE3 TRP 21 4.668 -4.256 -8.707 199 HZ2 TRP 21 HZ2 TRP 21 4.609 -7.015 -4.554 200 HZ3 TRP 21 HZ3 TRP 21 6.629 -5.578 -8.027 201 HH2 TRP 21 HH2 TRP 21 6.598 -6.928 -5.992 Start of MODEL 9 1 H ARG 1 H ARG 1 2.148 0.114 0.920 2 HA ARG 1 HA ARG 1 1.555 -0.296 -1.843 3 HB2 ARG 1 HB2 ARG 1 2.869 2.224 -0.976 4 HB3 ARG 1 HB3 ARG 1 3.536 1.421 -2.391 5 HG2 ARG 1 HG2 ARG 1 1.986 2.962 -3.226 6 HG3 ARG 1 HG3 ARG 1 1.170 1.400 -3.309 7 HD2 ARG 1 HD2 ARG 1 -0.496 2.621 -2.355 8 HD3 ARG 1 HD3 ARG 1 0.354 2.124 -0.893 9 HE ARG 1 HE ARG 1 0.340 4.788 -2.087 10 HH11 ARG 1 HH11 ARG 1 1.494 2.632 0.392 11 HH12 ARG 1 HH12 ARG 1 2.036 3.908 1.431 12 HH21 ARG 1 HH21 ARG 1 1.050 6.476 -0.727 13 HH22 ARG 1 HH22 ARG 1 1.782 6.094 0.794 14 H TRP 2 H TRP 2 3.332 -1.227 -3.009 15 HA TRP 2 HA TRP 2 5.667 -1.959 -1.398 16 HB2 TRP 2 HB2 TRP 2 3.860 -3.755 -1.291 17 HB3 TRP 2 HB3 TRP 2 4.161 -4.020 -3.007 18 HD1 TRP 2 HD1 TRP 2 6.766 -4.799 -3.626 19 HE1 TRP 2 HE1 TRP 2 8.341 -6.337 -2.294 20 HE3 TRP 2 HE3 TRP 2 4.502 -4.514 0.949 21 HZ2 TRP 2 HZ2 TRP 2 8.591 -7.303 0.347 22 HZ3 TRP 2 HZ3 TRP 2 5.471 -5.776 2.825 23 HH2 TRP 2 HH2 TRP 2 7.473 -7.141 2.528 24 H CYS 3 H CYS 3 7.538 -2.034 -2.520 25 HA CYS 3 HA CYS 3 7.408 -2.014 -5.455 26 HB2 CYS 3 HB2 CYS 3 9.082 -0.140 -3.769 27 HB3 CYS 3 HB3 CYS 3 9.123 -0.250 -5.526 28 H VAL 4 H VAL 4 8.883 -3.270 -6.434 29 HA VAL 4 HA VAL 4 11.122 -4.297 -4.816 30 HB VAL 4 HB VAL 4 10.841 -6.434 -6.227 31 HG11 VAL 4 HG11 VAL 4 10.329 -6.057 -3.752 32 HG12 VAL 4 HG12 VAL 4 8.636 -5.968 -4.244 33 HG13 VAL 4 HG13 VAL 4 9.566 -7.438 -4.539 34 HG21 VAL 4 HG21 VAL 4 8.532 -6.909 -6.920 35 HG22 VAL 4 HG22 VAL 4 8.079 -5.253 -6.516 36 HG23 VAL 4 HG23 VAL 4 9.226 -5.560 -7.820 37 H TYR 5 H TYR 5 13.071 -4.184 -5.746 38 HA TYR 5 HA TYR 5 13.272 -3.033 -8.398 39 HB2 TYR 5 HB2 TYR 5 15.345 -3.690 -6.300 40 HB3 TYR 5 HB3 TYR 5 15.733 -2.987 -7.866 41 HD1 TYR 5 HD1 TYR 5 14.508 -2.354 -4.526 42 HD2 TYR 5 HD2 TYR 5 14.880 -0.706 -8.431 43 HE1 TYR 5 HE1 TYR 5 14.099 -0.108 -3.611 44 HE2 TYR 5 HE2 TYR 5 14.474 1.545 -7.526 45 HH TYR 5 HH TYR 5 14.863 2.591 -4.952 46 H ALA 6 H ALA 6 14.022 -4.022 -10.201 47 HA ALA 6 HA ALA 6 15.131 -6.719 -10.004 48 HB1 ALA 6 HB1 ALA 6 12.923 -6.198 -11.964 49 HB2 ALA 6 HB2 ALA 6 13.576 -7.740 -11.410 50 HB3 ALA 6 HB3 ALA 6 12.585 -6.762 -10.327 51 H TYR 7 H TYR 7 16.025 -7.471 -12.099 52 HA TYR 7 HA TYR 7 17.101 -5.187 -13.609 53 HB2 TYR 7 HB2 TYR 7 18.225 -7.906 -12.973 54 HB3 TYR 7 HB3 TYR 7 18.878 -6.928 -14.284 55 HD1 TYR 7 HD1 TYR 7 19.573 -4.491 -13.639 56 HD2 TYR 7 HD2 TYR 7 19.082 -7.652 -10.834 57 HE1 TYR 7 HE1 TYR 7 20.991 -3.280 -12.035 58 HE2 TYR 7 HE2 TYR 7 20.497 -6.450 -9.221 59 HH TYR 7 HH TYR 7 21.070 -3.715 -8.957 60 H ARG 8 H ARG 8 17.232 -5.279 -15.867 61 HA ARG 8 HA ARG 8 16.033 -7.516 -17.270 62 HB2 ARG 8 HB2 ARG 8 14.375 -6.115 -18.431 63 HB3 ARG 8 HB3 ARG 8 14.074 -6.190 -16.700 64 HG2 ARG 8 HG2 ARG 8 13.778 -3.964 -17.047 65 HG3 ARG 8 HG3 ARG 8 15.510 -3.978 -16.706 66 HD2 ARG 8 HD2 ARG 8 14.885 -2.614 -18.689 67 HD3 ARG 8 HD3 ARG 8 16.032 -3.906 -19.044 68 HE ARG 8 HE ARG 8 14.482 -4.826 -20.442 69 HH11 ARG 8 HH11 ARG 8 12.865 -2.644 -18.263 70 HH12 ARG 8 HH12 ARG 8 11.329 -2.788 -19.052 71 HH21 ARG 8 HH21 ARG 8 12.464 -5.024 -21.488 72 HH22 ARG 8 HH22 ARG 8 11.102 -4.143 -20.885 73 H ARG 9 H ARG 9 16.394 -7.460 -19.550 74 HA ARG 9 HA ARG 9 18.708 -5.812 -20.263 75 HB2 ARG 9 HB2 ARG 9 17.891 -8.523 -20.823 76 HB3 ARG 9 HB3 ARG 9 18.186 -7.653 -22.323 77 HG2 ARG 9 HG2 ARG 9 20.261 -8.522 -21.873 78 HG3 ARG 9 HG3 ARG 9 20.388 -6.919 -21.146 79 HD2 ARG 9 HD2 ARG 9 21.283 -8.669 -19.678 80 HD3 ARG 9 HD3 ARG 9 19.900 -7.847 -18.958 81 HE ARG 9 HE ARG 9 18.719 -9.814 -19.043 82 HH11 ARG 9 HH11 ARG 9 21.604 -10.103 -20.969 83 HH12 ARG 9 HH12 ARG 9 21.430 -11.810 -21.209 84 HH21 ARG 9 HH21 ARG 9 18.478 -12.061 -19.352 85 HH22 ARG 9 HH22 ARG 9 19.651 -12.922 -20.289 86 H VAL 10 H VAL 10 18.726 -4.433 -21.984 87 HA VAL 10 HA VAL 10 16.385 -4.280 -23.722 88 HB VAL 10 HB VAL 10 15.686 -2.741 -22.072 89 HG11 VAL 10 HG11 VAL 10 18.557 -2.170 -21.855 90 HG12 VAL 10 HG12 VAL 10 17.506 -0.761 -21.700 91 HG13 VAL 10 HG13 VAL 10 17.296 -2.142 -20.623 92 HG21 VAL 10 HG21 VAL 10 17.003 -0.771 -23.856 93 HG22 VAL 10 HG22 VAL 10 15.967 -1.984 -24.608 94 HG23 VAL 10 HG23 VAL 10 15.313 -0.910 -23.372 95 H ARG 11 H ARG 11 17.400 -4.602 -25.613 96 HA ARG 11 HA ARG 11 18.738 -4.251 -27.418 97 HB2 ARG 11 HB2 ARG 11 19.210 -1.540 -26.166 98 HB3 ARG 11 HB3 ARG 11 19.522 -1.979 -27.839 99 HG2 ARG 11 HG2 ARG 11 16.770 -2.328 -26.769 100 HG3 ARG 11 HG3 ARG 11 17.339 -0.700 -27.147 101 HD2 ARG 11 HD2 ARG 11 16.408 -1.320 -29.154 102 HD3 ARG 11 HD3 ARG 11 18.086 -1.804 -29.395 103 HE ARG 11 HE ARG 11 17.378 -3.964 -29.548 104 HH11 ARG 11 HH11 ARG 11 14.937 -2.111 -27.896 105 HH12 ARG 11 HH12 ARG 11 13.804 -3.421 -27.827 106 HH21 ARG 11 HH21 ARG 11 15.896 -5.696 -29.462 107 HH22 ARG 11 HH22 ARG 11 14.351 -5.460 -28.717 108 H GLY 12 H GLY 12 19.877 -5.601 -25.239 109 HA2 GLY 12 HA2 GLY 12 21.963 -6.464 -24.749 110 HA3 GLY 12 HA3 GLY 12 22.657 -5.317 -25.885 111 H VAL 13 H VAL 13 20.621 -4.025 -23.442 112 HA VAL 13 HA VAL 13 22.981 -3.216 -21.873 113 HB VAL 13 HB VAL 13 20.600 -1.417 -22.198 114 HG11 VAL 13 HG11 VAL 13 21.836 0.128 -21.116 115 HG12 VAL 13 HG12 VAL 13 22.710 -1.286 -20.522 116 HG13 VAL 13 HG13 VAL 13 23.337 -0.373 -21.895 117 HG21 VAL 13 HG21 VAL 13 21.874 -0.222 -23.966 118 HG22 VAL 13 HG22 VAL 13 23.008 -1.572 -24.008 119 HG23 VAL 13 HG23 VAL 13 21.320 -1.823 -24.455 120 H LEU 14 H LEU 14 22.824 -3.413 -19.712 121 HA LEU 14 HA LEU 14 20.348 -4.536 -18.644 122 HB2 LEU 14 HB2 LEU 14 22.826 -5.398 -18.313 123 HB3 LEU 14 HB3 LEU 14 22.807 -4.224 -16.999 124 HG LEU 14 HG LEU 14 21.146 -6.710 -17.308 125 HD11 LEU 14 HD11 LEU 14 23.061 -7.317 -16.208 126 HD12 LEU 14 HD12 LEU 14 22.047 -6.836 -14.848 127 HD13 LEU 14 HD13 LEU 14 23.273 -5.730 -15.468 128 HD21 LEU 14 HD21 LEU 14 20.198 -5.837 -15.035 129 HD22 LEU 14 HD22 LEU 14 19.486 -5.306 -16.559 130 HD23 LEU 14 HD23 LEU 14 20.612 -4.256 -15.698 131 H VAL 15 H VAL 15 18.976 -3.371 -17.477 132 HA VAL 15 HA VAL 15 19.960 -0.908 -16.190 133 HB VAL 15 HB VAL 15 17.894 0.212 -16.673 134 HG11 VAL 15 HG11 VAL 15 18.070 -0.651 -19.374 135 HG12 VAL 15 HG12 VAL 15 18.747 0.801 -18.635 136 HG13 VAL 15 HG13 VAL 15 19.688 -0.691 -18.675 137 HG21 VAL 15 HG21 VAL 15 17.021 -2.479 -17.657 138 HG22 VAL 15 HG22 VAL 15 16.219 -1.397 -16.519 139 HG23 VAL 15 HG23 VAL 15 16.244 -1.007 -18.239 140 H ARG 16 H ARG 16 18.948 -0.299 -14.233 141 HA ARG 16 HA ARG 16 17.731 -2.562 -12.813 142 HB2 ARG 16 HB2 ARG 16 19.751 -1.755 -11.774 143 HB3 ARG 16 HB3 ARG 16 19.157 -0.100 -11.800 144 HG2 ARG 16 HG2 ARG 16 17.205 -1.184 -10.365 145 HG3 ARG 16 HG3 ARG 16 18.489 -2.330 -9.973 146 HD2 ARG 16 HD2 ARG 16 18.368 -0.480 -8.360 147 HD3 ARG 16 HD3 ARG 16 19.911 -0.524 -9.211 148 HE ARG 16 HE ARG 16 18.050 1.208 -10.493 149 HH11 ARG 16 HH11 ARG 16 20.253 0.974 -7.807 150 HH12 ARG 16 HH12 ARG 16 20.526 2.683 -7.714 151 HH21 ARG 16 HH21 ARG 16 18.401 3.459 -10.380 152 HH22 ARG 16 HH22 ARG 16 19.471 4.095 -9.177 153 H TYR 17 H TYR 17 15.582 -2.495 -12.800 154 HA TYR 17 HA TYR 17 14.274 0.101 -12.313 155 HB2 TYR 17 HB2 TYR 17 12.444 -0.546 -13.709 156 HB3 TYR 17 HB3 TYR 17 13.919 -0.846 -14.621 157 HD1 TYR 17 HD1 TYR 17 10.835 -2.206 -13.611 158 HD2 TYR 17 HD2 TYR 17 14.867 -3.295 -14.425 159 HE1 TYR 17 HE1 TYR 17 10.126 -4.532 -13.977 160 HE2 TYR 17 HE2 TYR 17 14.168 -5.625 -14.794 161 HH TYR 17 HH TYR 17 12.407 -6.997 -15.072 162 H ARG 18 H ARG 18 11.705 -0.793 -11.897 163 HA ARG 18 HA ARG 18 11.688 -2.893 -9.922 164 HB2 ARG 18 HB2 ARG 18 11.120 -1.591 -8.021 165 HB3 ARG 18 HB3 ARG 18 12.552 -0.843 -8.717 166 HG2 ARG 18 HG2 ARG 18 9.724 0.110 -9.125 167 HG3 ARG 18 HG3 ARG 18 10.884 0.801 -7.989 168 HD2 ARG 18 HD2 ARG 18 10.958 0.813 -10.990 169 HD3 ARG 18 HD3 ARG 18 10.979 2.186 -9.884 170 HE ARG 18 HE ARG 18 13.242 0.342 -9.818 171 HH11 ARG 18 HH11 ARG 18 11.930 3.430 -10.746 172 HH12 ARG 18 HH12 ARG 18 13.481 4.160 -10.997 173 HH21 ARG 18 HH21 ARG 18 15.289 1.292 -10.146 174 HH22 ARG 18 HH22 ARG 18 15.391 2.943 -10.656 175 H ARG 19 H ARG 19 9.357 -2.461 -8.649 176 HA ARG 19 HA ARG 19 7.328 -1.698 -10.589 177 HB2 ARG 19 HB2 ARG 19 7.723 -4.029 -11.153 178 HB3 ARG 19 HB3 ARG 19 7.539 -4.497 -9.467 179 HG2 ARG 19 HG2 ARG 19 5.271 -4.332 -9.520 180 HG3 ARG 19 HG3 ARG 19 5.281 -3.073 -10.756 181 HD2 ARG 19 HD2 ARG 19 5.575 -4.603 -12.486 182 HD3 ARG 19 HD3 ARG 19 6.169 -5.859 -11.401 183 HE ARG 19 HE ARG 19 3.566 -5.352 -10.638 184 HH11 ARG 19 HH11 ARG 19 5.215 -6.455 -13.498 185 HH12 ARG 19 HH12 ARG 19 3.887 -7.421 -14.051 186 HH21 ARG 19 HH21 ARG 19 1.810 -6.619 -11.355 187 HH22 ARG 19 HH22 ARG 19 1.950 -7.512 -12.831 188 H CYS 20 H CYS 20 6.039 -0.398 -9.477 189 HA CYS 20 HA CYS 20 5.514 -1.005 -6.645 190 HB2 CYS 20 HB2 CYS 20 5.303 1.622 -8.132 191 HB3 CYS 20 HB3 CYS 20 4.906 1.388 -6.432 192 H TRP 21 H TRP 21 3.594 -1.843 -6.215 193 HA TRP 21 HA TRP 21 1.325 -1.127 -7.955 194 HB2 TRP 21 HB2 TRP 21 0.400 -3.347 -7.577 195 HB3 TRP 21 HB3 TRP 21 2.029 -3.482 -8.232 196 HD1 TRP 21 HD1 TRP 21 0.082 -3.979 -4.953 197 HE1 TRP 21 HE1 TRP 21 1.445 -5.543 -3.430 198 HE3 TRP 21 HE3 TRP 21 4.342 -4.335 -7.759 199 HZ2 TRP 21 HZ2 TRP 21 3.990 -6.765 -3.419 200 HZ3 TRP 21 HZ3 TRP 21 6.193 -5.721 -6.920 201 HH2 TRP 21 HH2 TRP 21 6.019 -6.910 -4.795 Start of MODEL 10 1 H ARG 1 H ARG 1 1.354 0.771 0.013 2 HA ARG 1 HA ARG 1 1.092 -0.520 -2.622 3 HB2 ARG 1 HB2 ARG 1 2.209 2.147 -1.889 4 HB3 ARG 1 HB3 ARG 1 2.981 1.253 -3.192 5 HG2 ARG 1 HG2 ARG 1 1.460 2.524 -4.344 6 HG3 ARG 1 HG3 ARG 1 0.552 1.030 -4.105 7 HD2 ARG 1 HD2 ARG 1 -0.269 2.202 -1.930 8 HD3 ARG 1 HD3 ARG 1 0.246 3.676 -2.748 9 HE ARG 1 HE ARG 1 -1.449 2.019 -4.362 10 HH11 ARG 1 HH11 ARG 1 -1.381 4.475 -1.896 11 HH12 ARG 1 HH12 ARG 1 -2.960 5.082 -2.272 12 HH21 ARG 1 HH21 ARG 1 -3.529 2.808 -4.867 13 HH22 ARG 1 HH22 ARG 1 -4.181 4.132 -3.962 14 H TRP 2 H TRP 2 3.129 -1.306 -3.529 15 HA TRP 2 HA TRP 2 5.318 -1.693 -1.652 16 HB2 TRP 2 HB2 TRP 2 3.756 -3.578 -1.229 17 HB3 TRP 2 HB3 TRP 2 3.901 -4.047 -2.921 18 HD1 TRP 2 HD1 TRP 2 6.617 -4.575 -3.665 19 HE1 TRP 2 HE1 TRP 2 8.327 -5.969 -2.339 20 HE3 TRP 2 HE3 TRP 2 4.440 -4.348 0.955 21 HZ2 TRP 2 HZ2 TRP 2 8.702 -6.856 0.314 22 HZ3 TRP 2 HZ3 TRP 2 5.538 -5.496 2.834 23 HH2 TRP 2 HH2 TRP 2 7.625 -6.724 2.518 24 H CYS 3 H CYS 3 7.261 -1.806 -2.641 25 HA CYS 3 HA CYS 3 7.270 -2.062 -5.577 26 HB2 CYS 3 HB2 CYS 3 9.096 -0.339 -3.889 27 HB3 CYS 3 HB3 CYS 3 9.130 -0.476 -5.644 28 H VAL 4 H VAL 4 9.321 -2.832 -6.495 29 HA VAL 4 HA VAL 4 11.078 -4.295 -4.698 30 HB VAL 4 HB VAL 4 10.821 -6.364 -6.200 31 HG11 VAL 4 HG11 VAL 4 8.947 -7.216 -4.833 32 HG12 VAL 4 HG12 VAL 4 10.160 -6.362 -3.876 33 HG13 VAL 4 HG13 VAL 4 8.635 -5.571 -4.279 34 HG21 VAL 4 HG21 VAL 4 8.168 -5.038 -6.751 35 HG22 VAL 4 HG22 VAL 4 9.457 -5.282 -7.929 36 HG23 VAL 4 HG23 VAL 4 8.632 -6.672 -7.224 37 H TYR 5 H TYR 5 13.116 -4.245 -5.407 38 HA TYR 5 HA TYR 5 13.674 -3.018 -7.967 39 HB2 TYR 5 HB2 TYR 5 15.726 -4.071 -6.029 40 HB3 TYR 5 HB3 TYR 5 15.902 -2.779 -7.212 41 HD1 TYR 5 HD1 TYR 5 14.522 -0.643 -6.834 42 HD2 TYR 5 HD2 TYR 5 15.168 -3.573 -3.817 43 HE1 TYR 5 HE1 TYR 5 13.964 1.019 -5.109 44 HE2 TYR 5 HE2 TYR 5 14.611 -1.919 -2.084 45 HH TYR 5 HH TYR 5 14.312 0.298 -1.683 46 H ALA 6 H ALA 6 14.516 -3.979 -9.739 47 HA ALA 6 HA ALA 6 15.601 -6.657 -9.628 48 HB1 ALA 6 HB1 ALA 6 13.356 -6.367 -11.554 49 HB2 ALA 6 HB2 ALA 6 13.981 -7.808 -10.752 50 HB3 ALA 6 HB3 ALA 6 12.971 -6.671 -9.860 51 H TYR 7 H TYR 7 16.168 -7.405 -11.930 52 HA TYR 7 HA TYR 7 17.218 -5.077 -13.391 53 HB2 TYR 7 HB2 TYR 7 18.262 -7.858 -12.971 54 HB3 TYR 7 HB3 TYR 7 18.782 -6.923 -14.369 55 HD1 TYR 7 HD1 TYR 7 18.968 -7.264 -10.738 56 HD2 TYR 7 HD2 TYR 7 20.145 -4.913 -14.083 57 HE1 TYR 7 HE1 TYR 7 20.657 -6.141 -9.347 58 HE2 TYR 7 HE2 TYR 7 21.838 -3.784 -12.702 59 HH TYR 7 HH TYR 7 22.914 -4.914 -9.823 60 H ARG 8 H ARG 8 17.291 -5.178 -15.711 61 HA ARG 8 HA ARG 8 15.705 -7.192 -17.057 62 HB2 ARG 8 HB2 ARG 8 14.132 -5.600 -18.042 63 HB3 ARG 8 HB3 ARG 8 13.989 -5.622 -16.290 64 HG2 ARG 8 HG2 ARG 8 13.933 -3.377 -16.682 65 HG3 ARG 8 HG3 ARG 8 15.666 -3.610 -16.446 66 HD2 ARG 8 HD2 ARG 8 16.149 -3.287 -18.654 67 HD3 ARG 8 HD3 ARG 8 14.591 -3.908 -19.197 68 HE ARG 8 HE ARG 8 15.254 -1.198 -18.713 69 HH11 ARG 8 HH11 ARG 8 12.658 -3.494 -18.379 70 HH12 ARG 8 HH12 ARG 8 11.411 -2.296 -18.480 71 HH21 ARG 8 HH21 ARG 8 13.621 0.389 -18.848 72 HH22 ARG 8 HH22 ARG 8 11.959 -0.087 -18.748 73 H ARG 9 H ARG 9 16.027 -7.240 -19.298 74 HA ARG 9 HA ARG 9 18.393 -5.759 -20.177 75 HB2 ARG 9 HB2 ARG 9 17.440 -8.426 -20.567 76 HB3 ARG 9 HB3 ARG 9 17.559 -7.641 -22.136 77 HG2 ARG 9 HG2 ARG 9 19.646 -8.591 -21.881 78 HG3 ARG 9 HG3 ARG 9 19.912 -6.932 -21.340 79 HD2 ARG 9 HD2 ARG 9 20.951 -8.593 -19.847 80 HD3 ARG 9 HD3 ARG 9 19.733 -7.616 -19.030 81 HE ARG 9 HE ARG 9 18.452 -9.501 -18.737 82 HH11 ARG 9 HH11 ARG 9 21.023 -10.170 -20.986 83 HH12 ARG 9 HH12 ARG 9 20.738 -11.879 -21.005 84 HH21 ARG 9 HH21 ARG 9 18.066 -11.749 -18.753 85 HH22 ARG 9 HH22 ARG 9 19.055 -12.776 -19.735 86 H VAL 10 H VAL 10 18.384 -4.355 -21.857 87 HA VAL 10 HA VAL 10 16.005 -4.120 -23.532 88 HB VAL 10 HB VAL 10 15.403 -2.560 -21.866 89 HG11 VAL 10 HG11 VAL 10 17.283 -0.646 -21.519 90 HG12 VAL 10 HG12 VAL 10 17.083 -2.043 -20.458 91 HG13 VAL 10 HG13 VAL 10 18.300 -2.070 -21.735 92 HG21 VAL 10 HG21 VAL 10 15.334 -0.497 -23.041 93 HG22 VAL 10 HG22 VAL 10 16.803 -0.882 -23.937 94 HG23 VAL 10 HG23 VAL 10 15.317 -1.775 -24.256 95 H ARG 11 H ARG 11 16.709 -4.116 -25.554 96 HA ARG 11 HA ARG 11 18.025 -3.839 -27.391 97 HB2 ARG 11 HB2 ARG 11 18.633 -1.284 -25.901 98 HB3 ARG 11 HB3 ARG 11 19.186 -1.601 -27.540 99 HG2 ARG 11 HG2 ARG 11 16.882 -1.792 -28.298 100 HG3 ARG 11 HG3 ARG 11 16.311 -1.512 -26.652 101 HD2 ARG 11 HD2 ARG 11 17.458 0.693 -26.693 102 HD3 ARG 11 HD3 ARG 11 17.858 0.408 -28.387 103 HE ARG 11 HE ARG 11 15.110 0.101 -28.129 104 HH11 ARG 11 HH11 ARG 11 17.488 2.615 -27.752 105 HH12 ARG 11 HH12 ARG 11 16.394 3.892 -28.167 106 HH21 ARG 11 HH21 ARG 11 13.660 1.774 -28.677 107 HH22 ARG 11 HH22 ARG 11 14.216 3.413 -28.692 108 H GLY 12 H GLY 12 19.138 -5.436 -25.339 109 HA2 GLY 12 HA2 GLY 12 21.141 -6.544 -25.036 110 HA3 GLY 12 HA3 GLY 12 21.881 -5.426 -26.172 111 H VAL 13 H VAL 13 20.196 -3.929 -23.619 112 HA VAL 13 HA VAL 13 22.738 -3.453 -22.200 113 HB VAL 13 HB VAL 13 20.482 -1.478 -22.161 114 HG11 VAL 13 HG11 VAL 13 22.201 0.090 -21.602 115 HG12 VAL 13 HG12 VAL 13 22.400 -1.327 -20.569 116 HG13 VAL 13 HG13 VAL 13 23.464 -1.089 -21.956 117 HG21 VAL 13 HG21 VAL 13 22.119 -0.381 -23.991 118 HG22 VAL 13 HG22 VAL 13 22.293 -2.085 -24.412 119 HG23 VAL 13 HG23 VAL 13 20.696 -1.336 -24.408 120 H LEU 14 H LEU 14 22.786 -3.843 -20.070 121 HA LEU 14 HA LEU 14 20.328 -4.786 -18.801 122 HB2 LEU 14 HB2 LEU 14 22.727 -5.917 -18.824 123 HB3 LEU 14 HB3 LEU 14 22.958 -4.876 -17.421 124 HG LEU 14 HG LEU 14 21.259 -7.288 -17.746 125 HD11 LEU 14 HD11 LEU 14 21.966 -7.174 -15.170 126 HD12 LEU 14 HD12 LEU 14 23.248 -6.180 -15.862 127 HD13 LEU 14 HD13 LEU 14 23.012 -7.834 -16.427 128 HD21 LEU 14 HD21 LEU 14 19.531 -5.747 -17.248 129 HD22 LEU 14 HD22 LEU 14 20.524 -4.910 -16.054 130 HD23 LEU 14 HD23 LEU 14 19.942 -6.543 -15.729 131 H VAL 15 H VAL 15 19.189 -3.440 -17.590 132 HA VAL 15 HA VAL 15 20.610 -1.305 -16.134 133 HB VAL 15 HB VAL 15 18.313 -0.109 -16.281 134 HG11 VAL 15 HG11 VAL 15 20.474 -0.314 -18.295 135 HG12 VAL 15 HG12 VAL 15 19.014 0.559 -18.767 136 HG13 VAL 15 HG13 VAL 15 19.931 1.072 -17.349 137 HG21 VAL 15 HG21 VAL 15 17.069 -1.983 -17.217 138 HG22 VAL 15 HG22 VAL 15 17.052 -0.609 -18.323 139 HG23 VAL 15 HG23 VAL 15 18.113 -1.982 -18.638 140 H ARG 16 H ARG 16 19.077 -0.402 -14.335 141 HA ARG 16 HA ARG 16 17.837 -2.683 -12.943 142 HB2 ARG 16 HB2 ARG 16 19.944 -2.218 -11.869 143 HB3 ARG 16 HB3 ARG 16 19.577 -0.500 -11.792 144 HG2 ARG 16 HG2 ARG 16 17.503 -1.367 -10.405 145 HG3 ARG 16 HG3 ARG 16 18.583 -2.732 -10.113 146 HD2 ARG 16 HD2 ARG 16 19.683 0.005 -9.778 147 HD3 ARG 16 HD3 ARG 16 18.559 -0.583 -8.554 148 HE ARG 16 HE ARG 16 20.582 -2.501 -9.093 149 HH11 ARG 16 HH11 ARG 16 19.984 0.502 -7.436 150 HH12 ARG 16 HH12 ARG 16 21.218 0.244 -6.248 151 HH21 ARG 16 HH21 ARG 16 22.210 -2.853 -7.534 152 HH22 ARG 16 HH22 ARG 16 22.484 -1.665 -6.305 153 H TYR 17 H TYR 17 15.857 -2.360 -12.105 154 HA TYR 17 HA TYR 17 14.869 0.298 -11.548 155 HB2 TYR 17 HB2 TYR 17 13.131 0.377 -13.129 156 HB3 TYR 17 HB3 TYR 17 14.527 -0.166 -14.053 157 HD1 TYR 17 HD1 TYR 17 14.746 -2.942 -13.751 158 HD2 TYR 17 HD2 TYR 17 11.180 -0.622 -13.823 159 HE1 TYR 17 HE1 TYR 17 13.485 -4.915 -14.502 160 HE2 TYR 17 HE2 TYR 17 9.909 -2.589 -14.574 161 HH TYR 17 HH TYR 17 11.491 -5.738 -15.022 162 H ARG 18 H ARG 18 12.650 0.235 -10.631 163 HA ARG 18 HA ARG 18 12.251 -2.280 -9.157 164 HB2 ARG 18 HB2 ARG 18 10.958 -0.796 -7.553 165 HB3 ARG 18 HB3 ARG 18 12.696 -0.538 -7.618 166 HG2 ARG 18 HG2 ARG 18 11.149 1.133 -9.461 167 HG3 ARG 18 HG3 ARG 18 10.831 1.423 -7.750 168 HD2 ARG 18 HD2 ARG 18 12.778 2.667 -9.035 169 HD3 ARG 18 HD3 ARG 18 12.940 2.187 -7.346 170 HE ARG 18 HE ARG 18 13.855 0.206 -9.223 171 HH11 ARG 18 HH11 ARG 18 14.714 3.025 -7.370 172 HH12 ARG 18 HH12 ARG 18 16.409 2.667 -7.366 173 HH21 ARG 18 HH21 ARG 18 16.084 -0.277 -9.224 174 HH22 ARG 18 HH22 ARG 18 17.187 0.788 -8.422 175 H ARG 19 H ARG 19 9.876 -2.521 -8.406 176 HA ARG 19 HA ARG 19 8.018 -1.736 -10.537 177 HB2 ARG 19 HB2 ARG 19 8.638 -3.937 -11.192 178 HB3 ARG 19 HB3 ARG 19 8.536 -4.532 -9.540 179 HG2 ARG 19 HG2 ARG 19 6.271 -4.734 -9.601 180 HG3 ARG 19 HG3 ARG 19 6.074 -3.415 -10.756 181 HD2 ARG 19 HD2 ARG 19 5.556 -5.289 -12.021 182 HD3 ARG 19 HD3 ARG 19 7.251 -5.005 -12.417 183 HE ARG 19 HE ARG 19 7.292 -6.749 -10.303 184 HH11 ARG 19 HH11 ARG 19 5.899 -6.726 -13.493 185 HH12 ARG 19 HH12 ARG 19 5.988 -8.446 -13.686 186 HH21 ARG 19 HH21 ARG 19 7.414 -9.014 -10.545 187 HH22 ARG 19 HH22 ARG 19 6.849 -9.746 -12.008 188 H CYS 20 H CYS 20 6.505 -0.581 -9.545 189 HA CYS 20 HA CYS 20 5.594 -1.440 -6.880 190 HB2 CYS 20 HB2 CYS 20 5.200 1.287 -8.114 191 HB3 CYS 20 HB3 CYS 20 4.972 0.825 -6.431 192 H TRP 21 H TRP 21 3.566 -2.127 -6.633 193 HA TRP 21 HA TRP 21 1.692 -1.719 -8.871 194 HB2 TRP 21 HB2 TRP 21 0.599 -3.836 -8.070 195 HB3 TRP 21 HB3 TRP 21 2.229 -4.050 -8.702 196 HD1 TRP 21 HD1 TRP 21 0.297 -4.040 -5.377 197 HE1 TRP 21 HE1 TRP 21 1.687 -5.319 -3.628 198 HE3 TRP 21 HE3 TRP 21 4.554 -4.783 -8.108 199 HZ2 TRP 21 HZ2 TRP 21 4.249 -6.487 -3.432 200 HZ3 TRP 21 HZ3 TRP 21 6.428 -5.990 -7.067 201 HH2 TRP 21 HH2 TRP 21 6.277 -6.823 -4.777 Start of MODEL 11 1 H ARG 1 H ARG 1 1.064 0.747 0.893 2 HA ARG 1 HA ARG 1 1.584 -0.247 -1.467 3 HB2 ARG 1 HB2 ARG 1 2.938 1.576 -2.004 4 HB3 ARG 1 HB3 ARG 1 2.022 2.149 -0.617 5 HG2 ARG 1 HG2 ARG 1 4.834 1.074 -0.529 6 HG3 ARG 1 HG3 ARG 1 4.381 2.779 -0.492 7 HD2 ARG 1 HD2 ARG 1 3.747 0.668 1.563 8 HD3 ARG 1 HD3 ARG 1 4.815 2.059 1.753 9 HE ARG 1 HE ARG 1 1.980 2.023 2.055 10 HH11 ARG 1 HH11 ARG 1 4.666 4.007 1.069 11 HH12 ARG 1 HH12 ARG 1 3.866 5.499 1.435 12 HH21 ARG 1 HH21 ARG 1 0.917 3.981 2.541 13 HH22 ARG 1 HH22 ARG 1 1.734 5.484 2.273 14 H TRP 2 H TRP 2 3.491 -0.909 -2.702 15 HA TRP 2 HA TRP 2 5.706 -2.053 -1.229 16 HB2 TRP 2 HB2 TRP 2 3.803 -3.761 -1.228 17 HB3 TRP 2 HB3 TRP 2 4.066 -3.895 -2.964 18 HD1 TRP 2 HD1 TRP 2 6.675 -4.674 -3.668 19 HE1 TRP 2 HE1 TRP 2 8.174 -6.414 -2.507 20 HE3 TRP 2 HE3 TRP 2 4.369 -4.821 0.893 21 HZ2 TRP 2 HZ2 TRP 2 8.356 -7.682 0.008 22 HZ3 TRP 2 HZ3 TRP 2 5.268 -6.325 2.621 23 HH2 TRP 2 HH2 TRP 2 7.219 -7.725 2.185 24 H CYS 3 H CYS 3 7.520 -2.382 -2.483 25 HA CYS 3 HA CYS 3 7.302 -2.027 -5.375 26 HB2 CYS 3 HB2 CYS 3 9.074 -0.324 -3.610 27 HB3 CYS 3 HB3 CYS 3 9.111 -0.338 -5.371 28 H VAL 4 H VAL 4 8.635 -3.337 -6.459 29 HA VAL 4 HA VAL 4 10.856 -4.585 -4.974 30 HB VAL 4 HB VAL 4 10.494 -6.516 -6.652 31 HG11 VAL 4 HG11 VAL 4 8.434 -7.257 -5.137 32 HG12 VAL 4 HG12 VAL 4 10.085 -7.181 -4.517 33 HG13 VAL 4 HG13 VAL 4 8.962 -5.858 -4.202 34 HG21 VAL 4 HG21 VAL 4 7.783 -5.195 -6.767 35 HG22 VAL 4 HG22 VAL 4 8.918 -5.358 -8.107 36 HG23 VAL 4 HG23 VAL 4 8.176 -6.793 -7.401 37 H TYR 5 H TYR 5 12.825 -4.448 -5.855 38 HA TYR 5 HA TYR 5 13.075 -3.133 -8.452 39 HB2 TYR 5 HB2 TYR 5 15.130 -3.699 -6.305 40 HB3 TYR 5 HB3 TYR 5 15.458 -2.845 -7.808 41 HD1 TYR 5 HD1 TYR 5 14.176 -0.677 -8.247 42 HD2 TYR 5 HD2 TYR 5 14.341 -2.544 -4.427 43 HE1 TYR 5 HE1 TYR 5 13.525 1.445 -7.189 44 HE2 TYR 5 HE2 TYR 5 13.690 -0.427 -3.358 45 HH TYR 5 HH TYR 5 13.864 2.068 -3.960 46 H ALA 6 H ALA 6 14.132 -4.009 -10.189 47 HA ALA 6 HA ALA 6 15.309 -6.670 -9.937 48 HB1 ALA 6 HB1 ALA 6 12.892 -6.008 -11.571 49 HB2 ALA 6 HB2 ALA 6 13.996 -7.286 -12.082 50 HB3 ALA 6 HB3 ALA 6 13.187 -7.393 -10.519 51 H TYR 7 H TYR 7 16.021 -7.338 -12.336 52 HA TYR 7 HA TYR 7 17.122 -4.995 -13.710 53 HB2 TYR 7 HB2 TYR 7 18.654 -7.177 -12.382 54 HB3 TYR 7 HB3 TYR 7 19.261 -6.570 -13.918 55 HD1 TYR 7 HD1 TYR 7 18.651 -5.777 -10.398 56 HD2 TYR 7 HD2 TYR 7 20.105 -4.297 -14.112 57 HE1 TYR 7 HE1 TYR 7 19.703 -3.888 -9.226 58 HE2 TYR 7 HE2 TYR 7 21.162 -2.404 -12.951 59 HH TYR 7 HH TYR 7 20.988 -1.177 -10.894 60 H ARG 8 H ARG 8 16.870 -5.126 -15.840 61 HA ARG 8 HA ARG 8 16.697 -7.775 -17.097 62 HB2 ARG 8 HB2 ARG 8 14.726 -7.293 -18.248 63 HB3 ARG 8 HB3 ARG 8 14.420 -6.641 -16.644 64 HG2 ARG 8 HG2 ARG 8 15.440 -4.460 -17.813 65 HG3 ARG 8 HG3 ARG 8 14.747 -5.256 -19.227 66 HD2 ARG 8 HD2 ARG 8 12.622 -5.499 -17.844 67 HD3 ARG 8 HD3 ARG 8 13.357 -4.358 -16.718 68 HE ARG 8 HE ARG 8 12.977 -2.664 -18.223 69 HH11 ARG 8 HH11 ARG 8 12.465 -5.741 -19.769 70 HH12 ARG 8 HH12 ARG 8 11.768 -5.054 -21.199 71 HH21 ARG 8 HH21 ARG 8 12.061 -1.748 -20.101 72 HH22 ARG 8 HH22 ARG 8 11.540 -2.782 -21.387 73 H ARG 9 H ARG 9 17.187 -7.798 -19.364 74 HA ARG 9 HA ARG 9 19.183 -5.812 -20.058 75 HB2 ARG 9 HB2 ARG 9 18.784 -8.560 -20.615 76 HB3 ARG 9 HB3 ARG 9 18.726 -7.713 -22.155 77 HG2 ARG 9 HG2 ARG 9 20.954 -8.039 -22.065 78 HG3 ARG 9 HG3 ARG 9 20.897 -6.554 -21.113 79 HD2 ARG 9 HD2 ARG 9 21.281 -9.375 -20.219 80 HD3 ARG 9 HD3 ARG 9 22.181 -7.925 -19.775 81 HE ARG 9 HE ARG 9 20.445 -7.351 -18.267 82 HH11 ARG 9 HH11 ARG 9 20.001 -10.446 -19.799 83 HH12 ARG 9 HH12 ARG 9 18.856 -11.008 -18.627 84 HH21 ARG 9 HH21 ARG 9 18.939 -8.080 -16.717 85 HH22 ARG 9 HH22 ARG 9 18.252 -9.662 -16.874 86 H VAL 10 H VAL 10 19.109 -4.429 -21.797 87 HA VAL 10 HA VAL 10 16.747 -4.419 -23.507 88 HB VAL 10 HB VAL 10 15.963 -2.979 -21.789 89 HG11 VAL 10 HG11 VAL 10 18.608 -1.537 -21.960 90 HG12 VAL 10 HG12 VAL 10 17.242 -1.069 -20.944 91 HG13 VAL 10 HG13 VAL 10 18.083 -2.592 -20.648 92 HG21 VAL 10 HG21 VAL 10 15.980 -2.207 -24.294 93 HG22 VAL 10 HG22 VAL 10 15.421 -1.117 -23.025 94 HG23 VAL 10 HG23 VAL 10 17.049 -0.945 -23.681 95 H ARG 11 H ARG 11 17.408 -4.179 -25.530 96 HA ARG 11 HA ARG 11 18.658 -3.640 -27.352 97 HB2 ARG 11 HB2 ARG 11 19.464 -1.255 -25.678 98 HB3 ARG 11 HB3 ARG 11 19.634 -1.399 -27.422 99 HG2 ARG 11 HG2 ARG 11 17.069 -1.760 -27.392 100 HG3 ARG 11 HG3 ARG 11 17.164 -1.027 -25.789 101 HD2 ARG 11 HD2 ARG 11 18.425 0.267 -28.184 102 HD3 ARG 11 HD3 ARG 11 16.721 0.506 -27.802 103 HE ARG 11 HE ARG 11 18.384 1.021 -25.550 104 HH11 ARG 11 HH11 ARG 11 17.257 2.376 -28.552 105 HH12 ARG 11 HH12 ARG 11 17.451 4.018 -28.035 106 HH21 ARG 11 HH21 ARG 11 18.644 3.178 -24.857 107 HH22 ARG 11 HH22 ARG 11 18.241 4.473 -25.933 108 H GLY 12 H GLY 12 19.846 -5.191 -25.076 109 HA2 GLY 12 HA2 GLY 12 21.866 -6.381 -25.061 110 HA3 GLY 12 HA3 GLY 12 22.578 -5.145 -26.087 111 H VAL 13 H VAL 13 20.890 -3.860 -23.447 112 HA VAL 13 HA VAL 13 23.327 -3.731 -21.808 113 HB VAL 13 HB VAL 13 21.623 -1.299 -21.920 114 HG11 VAL 13 HG11 VAL 13 23.929 -0.259 -21.734 115 HG12 VAL 13 HG12 VAL 13 23.399 -1.243 -20.368 116 HG13 VAL 13 HG13 VAL 13 24.544 -1.900 -21.538 117 HG21 VAL 13 HG21 VAL 13 21.850 -1.758 -24.271 118 HG22 VAL 13 HG22 VAL 13 22.932 -0.432 -23.844 119 HG23 VAL 13 HG23 VAL 13 23.579 -2.054 -24.087 120 H LEU 14 H LEU 14 22.975 -4.208 -19.740 121 HA LEU 14 HA LEU 14 20.357 -4.832 -18.804 122 HB2 LEU 14 HB2 LEU 14 22.176 -6.123 -17.989 123 HB3 LEU 14 HB3 LEU 14 23.040 -4.684 -17.452 124 HG LEU 14 HG LEU 14 21.490 -4.361 -15.644 125 HD11 LEU 14 HD11 LEU 14 19.948 -6.747 -15.737 126 HD12 LEU 14 HD12 LEU 14 19.749 -5.891 -17.265 127 HD13 LEU 14 HD13 LEU 14 19.396 -5.072 -15.744 128 HD21 LEU 14 HD21 LEU 14 23.016 -5.737 -14.722 129 HD22 LEU 14 HD22 LEU 14 22.872 -6.935 -16.008 130 HD23 LEU 14 HD23 LEU 14 21.677 -6.885 -14.711 131 H VAL 15 H VAL 15 18.950 -3.638 -17.674 132 HA VAL 15 HA VAL 15 19.858 -1.025 -16.653 133 HB VAL 15 HB VAL 15 17.483 -0.247 -17.109 134 HG11 VAL 15 HG11 VAL 15 19.285 -0.941 -19.425 135 HG12 VAL 15 HG12 VAL 15 17.951 0.212 -19.495 136 HG13 VAL 15 HG13 VAL 15 19.336 0.526 -18.448 137 HG21 VAL 15 HG21 VAL 15 16.321 -1.458 -18.950 138 HG22 VAL 15 HG22 VAL 15 17.483 -2.772 -18.758 139 HG23 VAL 15 HG23 VAL 15 16.392 -2.359 -17.435 140 H ARG 16 H ARG 16 18.299 -0.115 -14.996 141 HA ARG 16 HA ARG 16 17.472 -2.284 -13.186 142 HB2 ARG 16 HB2 ARG 16 19.237 -0.972 -12.218 143 HB3 ARG 16 HB3 ARG 16 18.406 0.528 -12.607 144 HG2 ARG 16 HG2 ARG 16 16.528 -0.563 -11.083 145 HG3 ARG 16 HG3 ARG 16 17.931 -1.392 -10.404 146 HD2 ARG 16 HD2 ARG 16 17.397 0.695 -9.209 147 HD3 ARG 16 HD3 ARG 16 19.002 0.724 -9.938 148 HE ARG 16 HE ARG 16 17.084 1.864 -11.685 149 HH11 ARG 16 HH11 ARG 16 18.893 2.511 -8.782 150 HH12 ARG 16 HH12 ARG 16 18.880 4.229 -9.001 151 HH21 ARG 16 HH21 ARG 16 17.061 4.125 -11.985 152 HH22 ARG 16 HH22 ARG 16 17.837 5.146 -10.823 153 H TYR 17 H TYR 17 15.382 -2.500 -12.742 154 HA TYR 17 HA TYR 17 13.616 -0.170 -12.965 155 HB2 TYR 17 HB2 TYR 17 11.996 -1.339 -14.275 156 HB3 TYR 17 HB3 TYR 17 13.546 -1.533 -15.087 157 HD1 TYR 17 HD1 TYR 17 14.884 -3.719 -14.225 158 HD2 TYR 17 HD2 TYR 17 10.661 -3.208 -14.158 159 HE1 TYR 17 HE1 TYR 17 14.596 -6.161 -14.201 160 HE2 TYR 17 HE2 TYR 17 10.360 -5.649 -14.133 161 HH TYR 17 HH TYR 17 11.388 -7.629 -13.919 162 H ARG 18 H ARG 18 11.299 -0.922 -12.204 163 HA ARG 18 HA ARG 18 11.320 -2.938 -10.141 164 HB2 ARG 18 HB2 ARG 18 10.949 -1.528 -8.268 165 HB3 ARG 18 HB3 ARG 18 12.365 -0.888 -9.091 166 HG2 ARG 18 HG2 ARG 18 9.567 0.197 -9.348 167 HG3 ARG 18 HG3 ARG 18 10.842 0.875 -8.334 168 HD2 ARG 18 HD2 ARG 18 10.716 0.729 -11.333 169 HD3 ARG 18 HD3 ARG 18 10.842 2.160 -10.311 170 HE ARG 18 HE ARG 18 13.053 0.269 -10.216 171 HH11 ARG 18 HH11 ARG 18 11.766 3.266 -11.433 172 HH12 ARG 18 HH12 ARG 18 13.317 3.910 -11.858 173 HH21 ARG 18 HH21 ARG 18 15.101 1.106 -10.772 174 HH22 ARG 18 HH22 ARG 18 15.213 2.681 -11.482 175 H ARG 19 H ARG 19 9.109 -2.334 -8.733 176 HA ARG 19 HA ARG 19 6.982 -1.518 -10.530 177 HB2 ARG 19 HB2 ARG 19 7.232 -3.863 -11.118 178 HB3 ARG 19 HB3 ARG 19 7.154 -4.325 -9.423 179 HG2 ARG 19 HG2 ARG 19 4.895 -4.043 -9.303 180 HG3 ARG 19 HG3 ARG 19 4.872 -2.808 -10.564 181 HD2 ARG 19 HD2 ARG 19 4.907 -4.363 -12.272 182 HD3 ARG 19 HD3 ARG 19 5.626 -5.612 -11.257 183 HE ARG 19 HE ARG 19 3.063 -4.985 -10.285 184 HH11 ARG 19 HH11 ARG 19 4.614 -6.543 -12.984 185 HH12 ARG 19 HH12 ARG 19 3.290 -7.616 -13.293 186 HH21 ARG 19 HH21 ARG 19 1.313 -6.393 -10.682 187 HH22 ARG 19 HH22 ARG 19 1.413 -7.530 -11.983 188 H CYS 20 H CYS 20 5.934 -0.106 -9.297 189 HA CYS 20 HA CYS 20 5.539 -0.728 -6.449 190 HB2 CYS 20 HB2 CYS 20 5.513 1.901 -7.937 191 HB3 CYS 20 HB3 CYS 20 5.019 1.734 -6.255 192 H TRP 21 H TRP 21 3.610 -1.494 -5.933 193 HA TRP 21 HA TRP 21 1.265 -0.528 -7.434 194 HB2 TRP 21 HB2 TRP 21 0.259 -2.697 -7.305 195 HB3 TRP 21 HB3 TRP 21 1.892 -2.915 -7.928 196 HD1 TRP 21 HD1 TRP 21 -0.192 -3.503 -4.752 197 HE1 TRP 21 HE1 TRP 21 0.996 -5.282 -3.320 198 HE3 TRP 21 HE3 TRP 21 4.118 -3.978 -7.459 199 HZ2 TRP 21 HZ2 TRP 21 3.437 -6.698 -3.336 200 HZ3 TRP 21 HZ3 TRP 21 5.830 -5.566 -6.683 201 HH2 TRP 21 HH2 TRP 21 5.495 -6.896 -4.663 Start of MODEL 12 1 H ARG 1 H ARG 1 1.268 0.540 0.270 2 HA ARG 1 HA ARG 1 1.087 -0.631 -2.427 3 HB2 ARG 1 HB2 ARG 1 2.281 1.907 -1.399 4 HB3 ARG 1 HB3 ARG 1 3.014 1.138 -2.800 5 HG2 ARG 1 HG2 ARG 1 1.541 2.547 -3.822 6 HG3 ARG 1 HG3 ARG 1 0.542 1.099 -3.677 7 HD2 ARG 1 HD2 ARG 1 -0.801 2.912 -2.964 8 HD3 ARG 1 HD3 ARG 1 -0.313 2.050 -1.505 9 HE ARG 1 HE ARG 1 1.477 4.178 -2.111 10 HH11 ARG 1 HH11 ARG 1 -1.647 3.467 -0.747 11 HH12 ARG 1 HH12 ARG 1 -1.669 4.873 0.266 12 HH21 ARG 1 HH21 ARG 1 1.459 6.032 -0.782 13 HH22 ARG 1 HH22 ARG 1 0.097 6.331 0.244 14 H TRP 2 H TRP 2 3.117 -1.376 -3.379 15 HA TRP 2 HA TRP 2 5.269 -2.005 -1.527 16 HB2 TRP 2 HB2 TRP 2 3.637 -3.876 -1.313 17 HB3 TRP 2 HB3 TRP 2 3.825 -4.194 -3.036 18 HD1 TRP 2 HD1 TRP 2 6.539 -4.738 -3.751 19 HE1 TRP 2 HE1 TRP 2 8.181 -6.278 -2.504 20 HE3 TRP 2 HE3 TRP 2 4.254 -4.828 0.821 21 HZ2 TRP 2 HZ2 TRP 2 8.469 -7.385 0.076 22 HZ3 TRP 2 HZ3 TRP 2 5.277 -6.152 2.625 23 HH2 TRP 2 HH2 TRP 2 7.341 -7.404 2.258 24 H CYS 3 H CYS 3 7.223 -2.112 -2.504 25 HA CYS 3 HA CYS 3 7.264 -2.106 -5.451 26 HB2 CYS 3 HB2 CYS 3 9.044 -0.509 -3.596 27 HB3 CYS 3 HB3 CYS 3 9.162 -0.544 -5.353 28 H VAL 4 H VAL 4 9.221 -2.916 -6.430 29 HA VAL 4 HA VAL 4 10.992 -4.482 -4.721 30 HB VAL 4 HB VAL 4 10.716 -6.438 -6.367 31 HG11 VAL 4 HG11 VAL 4 10.076 -6.736 -4.112 32 HG12 VAL 4 HG12 VAL 4 8.657 -5.703 -4.301 33 HG13 VAL 4 HG13 VAL 4 8.709 -7.285 -5.081 34 HG21 VAL 4 HG21 VAL 4 8.492 -6.647 -7.374 35 HG22 VAL 4 HG22 VAL 4 8.095 -5.016 -6.832 36 HG23 VAL 4 HG23 VAL 4 9.370 -5.263 -8.025 37 H TYR 5 H TYR 5 13.034 -4.422 -5.423 38 HA TYR 5 HA TYR 5 13.601 -3.054 -7.918 39 HB2 TYR 5 HB2 TYR 5 15.569 -4.127 -5.893 40 HB3 TYR 5 HB3 TYR 5 15.875 -2.926 -7.142 41 HD1 TYR 5 HD1 TYR 5 14.827 -3.480 -3.762 42 HD2 TYR 5 HD2 TYR 5 14.679 -0.687 -6.967 43 HE1 TYR 5 HE1 TYR 5 14.266 -1.692 -2.169 44 HE2 TYR 5 HE2 TYR 5 14.118 1.109 -5.384 45 HH TYR 5 HH TYR 5 12.988 0.638 -2.395 46 H ALA 6 H ALA 6 14.515 -3.931 -9.706 47 HA ALA 6 HA ALA 6 15.616 -6.603 -9.677 48 HB1 ALA 6 HB1 ALA 6 13.399 -7.314 -9.912 49 HB2 ALA 6 HB2 ALA 6 12.996 -5.992 -11.009 50 HB3 ALA 6 HB3 ALA 6 14.034 -7.308 -11.557 51 H TYR 7 H TYR 7 15.857 -7.222 -12.232 52 HA TYR 7 HA TYR 7 17.010 -4.836 -13.521 53 HB2 TYR 7 HB2 TYR 7 18.158 -7.586 -13.159 54 HB3 TYR 7 HB3 TYR 7 18.656 -6.591 -14.523 55 HD1 TYR 7 HD1 TYR 7 19.921 -4.525 -14.160 56 HD2 TYR 7 HD2 TYR 7 18.833 -7.044 -10.908 57 HE1 TYR 7 HE1 TYR 7 21.553 -3.371 -12.727 58 HE2 TYR 7 HE2 TYR 7 20.461 -5.896 -9.466 59 HH TYR 7 HH TYR 7 21.945 -4.254 -9.308 60 H ARG 8 H ARG 8 17.163 -4.941 -15.860 61 HA ARG 8 HA ARG 8 15.554 -6.949 -17.209 62 HB2 ARG 8 HB2 ARG 8 14.179 -5.191 -18.347 63 HB3 ARG 8 HB3 ARG 8 13.833 -5.387 -16.634 64 HG2 ARG 8 HG2 ARG 8 13.917 -3.130 -16.706 65 HG3 ARG 8 HG3 ARG 8 15.634 -3.442 -16.449 66 HD2 ARG 8 HD2 ARG 8 15.334 -1.819 -18.225 67 HD3 ARG 8 HD3 ARG 8 16.004 -3.316 -18.873 68 HE ARG 8 HE ARG 8 13.400 -3.687 -19.298 69 HH11 ARG 8 HH11 ARG 8 15.435 -0.925 -19.891 70 HH12 ARG 8 HH12 ARG 8 14.511 -0.372 -21.248 71 HH21 ARG 8 HH21 ARG 8 12.175 -2.968 -21.083 72 HH22 ARG 8 HH22 ARG 8 12.656 -1.534 -21.924 73 H ARG 9 H ARG 9 15.965 -7.103 -19.421 74 HA ARG 9 HA ARG 9 18.397 -5.714 -20.281 75 HB2 ARG 9 HB2 ARG 9 17.453 -8.387 -20.537 76 HB3 ARG 9 HB3 ARG 9 17.572 -7.704 -22.153 77 HG2 ARG 9 HG2 ARG 9 19.658 -8.648 -21.817 78 HG3 ARG 9 HG3 ARG 9 19.922 -6.947 -21.427 79 HD2 ARG 9 HD2 ARG 9 20.956 -8.519 -19.805 80 HD3 ARG 9 HD3 ARG 9 19.799 -7.406 -19.076 81 HE ARG 9 HE ARG 9 18.553 -9.208 -18.453 82 HH11 ARG 9 HH11 ARG 9 20.634 -10.157 -21.077 83 HH12 ARG 9 HH12 ARG 9 20.176 -11.826 -21.009 84 HH21 ARG 9 HH21 ARG 9 17.942 -11.403 -18.353 85 HH22 ARG 9 HH22 ARG 9 18.644 -12.534 -19.460 86 H VAL 10 H VAL 10 18.470 -4.404 -22.034 87 HA VAL 10 HA VAL 10 16.165 -4.236 -23.815 88 HB VAL 10 HB VAL 10 15.490 -2.592 -22.268 89 HG11 VAL 10 HG11 VAL 10 17.089 -2.024 -20.790 90 HG12 VAL 10 HG12 VAL 10 18.380 -2.128 -21.989 91 HG13 VAL 10 HG13 VAL 10 17.373 -0.682 -21.899 92 HG21 VAL 10 HG21 VAL 10 16.919 -0.702 -24.022 93 HG22 VAL 10 HG22 VAL 10 15.976 -1.948 -24.840 94 HG23 VAL 10 HG23 VAL 10 15.194 -0.863 -23.691 95 H ARG 11 H ARG 11 17.074 -4.520 -25.743 96 HA ARG 11 HA ARG 11 18.461 -4.317 -27.534 97 HB2 ARG 11 HB2 ARG 11 18.649 -1.630 -26.231 98 HB3 ARG 11 HB3 ARG 11 19.710 -2.003 -27.583 99 HG2 ARG 11 HG2 ARG 11 17.980 -1.084 -28.722 100 HG3 ARG 11 HG3 ARG 11 17.428 -2.760 -28.688 101 HD2 ARG 11 HD2 ARG 11 15.910 -2.336 -26.943 102 HD3 ARG 11 HD3 ARG 11 16.667 -0.792 -26.552 103 HE ARG 11 HE ARG 11 14.648 -1.265 -28.513 104 HH11 ARG 11 HH11 ARG 11 17.387 0.734 -27.724 105 HH12 ARG 11 HH12 ARG 11 16.839 2.082 -28.665 106 HH21 ARG 11 HH21 ARG 11 13.917 0.502 -29.756 107 HH22 ARG 11 HH22 ARG 11 14.865 1.949 -29.819 108 H GLY 12 H GLY 12 19.516 -5.859 -25.563 109 HA2 GLY 12 HA2 GLY 12 21.535 -6.858 -25.069 110 HA3 GLY 12 HA3 GLY 12 22.315 -5.679 -26.113 111 H VAL 13 H VAL 13 20.434 -4.067 -23.890 112 HA VAL 13 HA VAL 13 22.794 -3.523 -22.224 113 HB VAL 13 HB VAL 13 20.307 -1.830 -22.336 114 HG11 VAL 13 HG11 VAL 13 22.209 -0.102 -21.802 115 HG12 VAL 13 HG12 VAL 13 21.521 -1.109 -20.526 116 HG13 VAL 13 HG13 VAL 13 23.069 -1.541 -21.254 117 HG21 VAL 13 HG21 VAL 13 22.761 -1.598 -24.075 118 HG22 VAL 13 HG22 VAL 13 21.139 -2.032 -24.614 119 HG23 VAL 13 HG23 VAL 13 21.456 -0.416 -23.982 120 H LEU 14 H LEU 14 22.438 -3.111 -19.926 121 HA LEU 14 HA LEU 14 20.080 -4.470 -18.821 122 HB2 LEU 14 HB2 LEU 14 21.932 -6.058 -18.824 123 HB3 LEU 14 HB3 LEU 14 22.936 -4.900 -17.955 124 HG LEU 14 HG LEU 14 21.847 -6.867 -16.670 125 HD11 LEU 14 HD11 LEU 14 21.944 -5.633 -14.691 126 HD12 LEU 14 HD12 LEU 14 21.400 -4.152 -15.478 127 HD13 LEU 14 HD13 LEU 14 23.022 -4.770 -15.788 128 HD21 LEU 14 HD21 LEU 14 19.552 -5.966 -17.721 129 HD22 LEU 14 HD22 LEU 14 19.557 -5.057 -16.209 130 HD23 LEU 14 HD23 LEU 14 19.640 -6.819 -16.180 131 H VAL 15 H VAL 15 19.037 -3.014 -17.643 132 HA VAL 15 HA VAL 15 20.618 -1.133 -16.012 133 HB VAL 15 HB VAL 15 18.502 0.313 -16.122 134 HG11 VAL 15 HG11 VAL 15 20.299 -0.134 -18.495 135 HG12 VAL 15 HG12 VAL 15 19.172 1.220 -18.378 136 HG13 VAL 15 HG13 VAL 15 20.478 1.053 -17.204 137 HG21 VAL 15 HG21 VAL 15 16.994 -1.355 -17.032 138 HG22 VAL 15 HG22 VAL 15 17.134 0.005 -18.145 139 HG23 VAL 15 HG23 VAL 15 17.991 -1.499 -18.480 140 H ARG 16 H ARG 16 19.265 -0.248 -14.130 141 HA ARG 16 HA ARG 16 17.911 -2.521 -12.839 142 HB2 ARG 16 HB2 ARG 16 19.960 -1.871 -11.703 143 HB3 ARG 16 HB3 ARG 16 19.414 -0.201 -11.616 144 HG2 ARG 16 HG2 ARG 16 17.383 -1.323 -10.337 145 HG3 ARG 16 HG3 ARG 16 18.606 -2.551 -10.004 146 HD2 ARG 16 HD2 ARG 16 19.349 0.296 -9.604 147 HD3 ARG 16 HD3 ARG 16 18.254 -0.440 -8.434 148 HE ARG 16 HE ARG 16 20.380 -2.189 -8.754 149 HH11 ARG 16 HH11 ARG 16 19.862 1.067 -7.634 150 HH12 ARG 16 HH12 ARG 16 21.188 1.033 -6.520 151 HH21 ARG 16 HH21 ARG 16 22.128 -2.245 -7.291 152 HH22 ARG 16 HH22 ARG 16 22.477 -0.850 -6.326 153 H TYR 17 H TYR 17 15.892 -2.291 -12.041 154 HA TYR 17 HA TYR 17 14.720 0.320 -11.640 155 HB2 TYR 17 HB2 TYR 17 13.010 0.190 -13.261 156 HB3 TYR 17 HB3 TYR 17 14.482 -0.249 -14.122 157 HD1 TYR 17 HD1 TYR 17 14.962 -2.954 -13.829 158 HD2 TYR 17 HD2 TYR 17 11.166 -1.033 -13.878 159 HE1 TYR 17 HE1 TYR 17 13.914 -5.057 -14.557 160 HE2 TYR 17 HE2 TYR 17 10.107 -3.131 -14.605 161 HH TYR 17 HH TYR 17 11.975 -6.121 -14.912 162 H ARG 18 H ARG 18 12.540 0.185 -10.712 163 HA ARG 18 HA ARG 18 12.158 -2.355 -9.268 164 HB2 ARG 18 HB2 ARG 18 11.048 -0.966 -7.513 165 HB3 ARG 18 HB3 ARG 18 12.757 -0.614 -7.728 166 HG2 ARG 18 HG2 ARG 18 10.979 1.043 -9.356 167 HG3 ARG 18 HG3 ARG 18 10.777 1.243 -7.614 168 HD2 ARG 18 HD2 ARG 18 12.551 2.649 -8.980 169 HD3 ARG 18 HD3 ARG 18 12.867 2.107 -7.332 170 HE ARG 18 HE ARG 18 13.740 0.236 -9.322 171 HH11 ARG 18 HH11 ARG 18 14.587 3.116 -7.558 172 HH12 ARG 18 HH12 ARG 18 16.294 2.877 -7.732 173 HH21 ARG 18 HH21 ARG 18 15.985 -0.089 -9.558 174 HH22 ARG 18 HH22 ARG 18 17.088 1.055 -8.871 175 H ARG 19 H ARG 19 9.800 -2.532 -8.432 176 HA ARG 19 HA ARG 19 7.907 -1.613 -10.480 177 HB2 ARG 19 HB2 ARG 19 8.467 -3.850 -11.154 178 HB3 ARG 19 HB3 ARG 19 8.266 -4.451 -9.514 179 HG2 ARG 19 HG2 ARG 19 5.995 -4.492 -9.655 180 HG3 ARG 19 HG3 ARG 19 5.932 -3.155 -10.805 181 HD2 ARG 19 HD2 ARG 19 7.109 -5.793 -11.592 182 HD3 ARG 19 HD3 ARG 19 5.362 -5.550 -11.611 183 HE ARG 19 HE ARG 19 6.604 -3.446 -13.000 184 HH11 ARG 19 HH11 ARG 19 5.971 -6.857 -13.291 185 HH12 ARG 19 HH12 ARG 19 5.955 -6.839 -15.024 186 HH21 ARG 19 HH21 ARG 19 6.585 -3.409 -15.280 187 HH22 ARG 19 HH22 ARG 19 6.305 -4.877 -16.154 188 H CYS 20 H CYS 20 6.479 -0.411 -9.419 189 HA CYS 20 HA CYS 20 5.608 -1.286 -6.745 190 HB2 CYS 20 HB2 CYS 20 5.401 1.489 -7.927 191 HB3 CYS 20 HB3 CYS 20 5.064 1.019 -6.264 192 H TRP 21 H TRP 21 3.602 -2.014 -6.548 193 HA TRP 21 HA TRP 21 1.651 -1.321 -8.646 194 HB2 TRP 21 HB2 TRP 21 0.544 -3.483 -8.096 195 HB3 TRP 21 HB3 TRP 21 2.180 -3.680 -8.718 196 HD1 TRP 21 HD1 TRP 21 0.176 -3.967 -5.452 197 HE1 TRP 21 HE1 TRP 21 1.499 -5.448 -3.815 198 HE3 TRP 21 HE3 TRP 21 4.484 -4.511 -8.150 199 HZ2 TRP 21 HZ2 TRP 21 4.033 -6.683 -3.684 200 HZ3 TRP 21 HZ3 TRP 21 6.310 -5.858 -7.197 201 HH2 TRP 21 HH2 TRP 21 6.087 -6.920 -5.010 Start of MODEL 13 1 H ARG 1 H ARG 1 1.173 0.252 -0.062 2 HA ARG 1 HA ARG 1 1.025 -0.743 -2.823 3 HB2 ARG 1 HB2 ARG 1 2.785 1.028 -3.372 4 HB3 ARG 1 HB3 ARG 1 1.128 1.582 -3.170 5 HG2 ARG 1 HG2 ARG 1 1.633 2.344 -0.920 6 HG3 ARG 1 HG3 ARG 1 3.285 1.743 -1.075 7 HD2 ARG 1 HD2 ARG 1 3.212 4.140 -1.458 8 HD3 ARG 1 HD3 ARG 1 3.665 3.292 -2.936 9 HE ARG 1 HE ARG 1 0.988 3.570 -3.183 10 HH11 ARG 1 HH11 ARG 1 3.567 5.802 -2.484 11 HH12 ARG 1 HH12 ARG 1 2.771 7.154 -3.219 12 HH21 ARG 1 HH21 ARG 1 -0.070 5.342 -4.154 13 HH22 ARG 1 HH22 ARG 1 0.703 6.892 -4.168 14 H TRP 2 H TRP 2 3.226 -1.280 -3.696 15 HA TRP 2 HA TRP 2 5.260 -1.875 -1.716 16 HB2 TRP 2 HB2 TRP 2 3.634 -3.809 -1.681 17 HB3 TRP 2 HB3 TRP 2 4.093 -4.132 -3.350 18 HD1 TRP 2 HD1 TRP 2 6.847 -4.642 -3.689 19 HE1 TRP 2 HE1 TRP 2 8.390 -6.032 -2.169 20 HE3 TRP 2 HE3 TRP 2 4.062 -4.548 0.597 21 HZ2 TRP 2 HZ2 TRP 2 8.423 -6.965 0.495 22 HZ3 TRP 2 HZ3 TRP 2 4.920 -5.714 2.587 23 HH2 TRP 2 HH2 TRP 2 7.055 -6.897 2.535 24 H CYS 3 H CYS 3 7.280 -1.945 -2.575 25 HA CYS 3 HA CYS 3 7.503 -1.919 -5.511 26 HB2 CYS 3 HB2 CYS 3 8.911 -0.138 -3.517 27 HB3 CYS 3 HB3 CYS 3 9.408 -0.293 -5.199 28 H VAL 4 H VAL 4 9.229 -2.992 -6.399 29 HA VAL 4 HA VAL 4 11.159 -4.242 -4.576 30 HB VAL 4 HB VAL 4 10.942 -6.334 -6.080 31 HG11 VAL 4 HG11 VAL 4 10.388 -6.356 -3.732 32 HG12 VAL 4 HG12 VAL 4 8.825 -5.605 -4.059 33 HG13 VAL 4 HG13 VAL 4 9.155 -7.241 -4.629 34 HG21 VAL 4 HG21 VAL 4 8.240 -5.070 -6.530 35 HG22 VAL 4 HG22 VAL 4 9.476 -5.341 -7.758 36 HG23 VAL 4 HG23 VAL 4 8.695 -6.715 -6.977 37 H TYR 5 H TYR 5 13.196 -4.232 -5.321 38 HA TYR 5 HA TYR 5 13.713 -2.986 -7.881 39 HB2 TYR 5 HB2 TYR 5 15.634 -3.964 -5.759 40 HB3 TYR 5 HB3 TYR 5 16.064 -2.993 -7.163 41 HD1 TYR 5 HD1 TYR 5 14.662 -2.970 -3.816 42 HD2 TYR 5 HD2 TYR 5 15.305 -0.638 -7.316 43 HE1 TYR 5 HE1 TYR 5 14.223 -0.923 -2.525 44 HE2 TYR 5 HE2 TYR 5 14.869 1.415 -6.035 45 HH TYR 5 HH TYR 5 14.640 2.272 -3.950 46 H ALA 6 H ALA 6 14.601 -3.926 -9.655 47 HA ALA 6 HA ALA 6 15.645 -6.623 -9.556 48 HB1 ALA 6 HB1 ALA 6 14.076 -7.490 -11.253 49 HB2 ALA 6 HB2 ALA 6 13.284 -7.098 -9.726 50 HB3 ALA 6 HB3 ALA 6 13.132 -6.008 -11.104 51 H TYR 7 H TYR 7 15.930 -7.327 -12.056 52 HA TYR 7 HA TYR 7 17.108 -5.001 -13.428 53 HB2 TYR 7 HB2 TYR 7 18.239 -7.686 -12.821 54 HB3 TYR 7 HB3 TYR 7 18.654 -6.964 -14.372 55 HD1 TYR 7 HD1 TYR 7 19.139 -6.831 -10.773 56 HD2 TYR 7 HD2 TYR 7 19.906 -4.834 -14.451 57 HE1 TYR 7 HE1 TYR 7 20.879 -5.486 -9.673 58 HE2 TYR 7 HE2 TYR 7 21.650 -3.485 -13.361 59 HH TYR 7 HH TYR 7 23.127 -4.189 -10.701 60 H ARG 8 H ARG 8 17.231 -5.146 -15.751 61 HA ARG 8 HA ARG 8 15.684 -7.202 -17.081 62 HB2 ARG 8 HB2 ARG 8 14.163 -5.570 -18.165 63 HB3 ARG 8 HB3 ARG 8 13.908 -5.699 -16.430 64 HG2 ARG 8 HG2 ARG 8 13.851 -3.440 -16.661 65 HG3 ARG 8 HG3 ARG 8 15.580 -3.661 -16.383 66 HD2 ARG 8 HD2 ARG 8 15.092 -2.139 -18.268 67 HD3 ARG 8 HD3 ARG 8 16.018 -3.559 -18.751 68 HE ARG 8 HE ARG 8 14.274 -4.192 -20.086 69 HH11 ARG 8 HH11 ARG 8 13.149 -1.818 -17.802 70 HH12 ARG 8 HH12 ARG 8 11.586 -1.663 -18.535 71 HH21 ARG 8 HH21 ARG 8 12.220 -3.997 -21.060 72 HH22 ARG 8 HH22 ARG 8 11.059 -2.904 -20.387 73 H ARG 9 H ARG 9 15.904 -7.156 -19.384 74 HA ARG 9 HA ARG 9 18.351 -5.781 -20.227 75 HB2 ARG 9 HB2 ARG 9 17.233 -8.387 -20.712 76 HB3 ARG 9 HB3 ARG 9 17.486 -7.557 -22.242 77 HG2 ARG 9 HG2 ARG 9 19.496 -8.626 -21.950 78 HG3 ARG 9 HG3 ARG 9 19.838 -7.037 -21.263 79 HD2 ARG 9 HD2 ARG 9 20.678 -8.860 -19.846 80 HD3 ARG 9 HD3 ARG 9 19.454 -7.891 -19.027 81 HE ARG 9 HE ARG 9 18.075 -9.726 -18.973 82 HH11 ARG 9 HH11 ARG 9 20.734 -10.330 -21.136 83 HH12 ARG 9 HH12 ARG 9 20.365 -12.012 -21.330 84 HH21 ARG 9 HH21 ARG 9 17.578 -11.938 -19.219 85 HH22 ARG 9 HH22 ARG 9 18.569 -12.925 -20.239 86 H VAL 10 H VAL 10 18.412 -4.372 -21.911 87 HA VAL 10 HA VAL 10 16.026 -3.976 -23.545 88 HB VAL 10 HB VAL 10 15.547 -2.404 -21.847 89 HG11 VAL 10 HG11 VAL 10 17.724 -2.434 -20.735 90 HG12 VAL 10 HG12 VAL 10 18.406 -1.460 -22.039 91 HG13 VAL 10 HG13 VAL 10 17.158 -0.784 -20.992 92 HG21 VAL 10 HG21 VAL 10 15.400 -0.434 -23.052 93 HG22 VAL 10 HG22 VAL 10 16.990 -0.642 -23.787 94 HG23 VAL 10 HG23 VAL 10 15.633 -1.632 -24.326 95 H ARG 11 H ARG 11 16.691 -3.974 -25.580 96 HA ARG 11 HA ARG 11 17.985 -3.741 -27.438 97 HB2 ARG 11 HB2 ARG 11 18.990 -1.300 -25.964 98 HB3 ARG 11 HB3 ARG 11 19.164 -1.604 -27.687 99 HG2 ARG 11 HG2 ARG 11 16.432 -1.605 -26.516 100 HG3 ARG 11 HG3 ARG 11 17.256 -0.063 -26.754 101 HD2 ARG 11 HD2 ARG 11 16.199 -0.273 -28.772 102 HD3 ARG 11 HD3 ARG 11 17.733 -1.061 -29.139 103 HE ARG 11 HE ARG 11 15.789 -2.913 -28.182 104 HH11 ARG 11 HH11 ARG 11 16.804 -1.125 -30.992 105 HH12 ARG 11 HH12 ARG 11 16.133 -2.259 -32.117 106 HH21 ARG 11 HH21 ARG 11 14.902 -4.413 -29.653 107 HH22 ARG 11 HH22 ARG 11 15.051 -4.128 -31.354 108 H GLY 12 H GLY 12 19.044 -5.279 -25.151 109 HA2 GLY 12 HA2 GLY 12 20.960 -6.603 -25.010 110 HA3 GLY 12 HA3 GLY 12 21.763 -5.518 -26.136 111 H VAL 13 H VAL 13 20.178 -4.058 -23.465 112 HA VAL 13 HA VAL 13 22.737 -3.824 -22.026 113 HB VAL 13 HB VAL 13 20.811 -1.533 -22.085 114 HG11 VAL 13 HG11 VAL 13 23.812 -1.511 -21.907 115 HG12 VAL 13 HG12 VAL 13 22.677 -0.242 -21.443 116 HG13 VAL 13 HG13 VAL 13 22.780 -1.726 -20.494 117 HG21 VAL 13 HG21 VAL 13 22.920 -2.115 -24.160 118 HG22 VAL 13 HG22 VAL 13 21.182 -1.983 -24.424 119 HG23 VAL 13 HG23 VAL 13 22.114 -0.560 -23.960 120 H LEU 14 H LEU 14 22.636 -4.200 -19.899 121 HA LEU 14 HA LEU 14 20.035 -4.794 -18.730 122 HB2 LEU 14 HB2 LEU 14 21.862 -6.400 -18.470 123 HB3 LEU 14 HB3 LEU 14 22.820 -5.176 -17.640 124 HG LEU 14 HG LEU 14 21.354 -5.211 -15.751 125 HD11 LEU 14 HD11 LEU 14 19.506 -6.398 -17.652 126 HD12 LEU 14 HD12 LEU 14 19.187 -5.541 -16.144 127 HD13 LEU 14 HD13 LEU 14 19.556 -7.265 -16.117 128 HD21 LEU 14 HD21 LEU 14 22.911 -6.890 -15.459 129 HD22 LEU 14 HD22 LEU 14 22.276 -7.857 -16.790 130 HD23 LEU 14 HD23 LEU 14 21.393 -7.766 -15.265 131 H VAL 15 H VAL 15 18.986 -3.443 -17.434 132 HA VAL 15 HA VAL 15 20.509 -1.294 -16.110 133 HB VAL 15 HB VAL 15 18.366 0.068 -16.306 134 HG11 VAL 15 HG11 VAL 15 19.698 -0.561 -18.931 135 HG12 VAL 15 HG12 VAL 15 18.993 0.970 -18.411 136 HG13 VAL 15 HG13 VAL 15 20.470 0.376 -17.653 137 HG21 VAL 15 HG21 VAL 15 16.834 -1.695 -16.908 138 HG22 VAL 15 HG22 VAL 15 16.911 -0.522 -18.222 139 HG23 VAL 15 HG23 VAL 15 17.767 -2.058 -18.360 140 H ARG 16 H ARG 16 19.259 -0.322 -14.245 141 HA ARG 16 HA ARG 16 18.003 -2.500 -12.718 142 HB2 ARG 16 HB2 ARG 16 20.026 -1.725 -11.674 143 HB3 ARG 16 HB3 ARG 16 19.512 -0.049 -11.807 144 HG2 ARG 16 HG2 ARG 16 17.485 -0.958 -10.354 145 HG3 ARG 16 HG3 ARG 16 18.707 -2.136 -9.870 146 HD2 ARG 16 HD2 ARG 16 18.641 -0.190 -8.369 147 HD3 ARG 16 HD3 ARG 16 20.196 -0.353 -9.183 148 HE ARG 16 HE ARG 16 18.688 1.353 -10.742 149 HH11 ARG 16 HH11 ARG 16 19.912 1.289 -7.483 150 HH12 ARG 16 HH12 ARG 16 20.045 3.012 -7.360 151 HH21 ARG 16 HH21 ARG 16 18.857 3.623 -10.592 152 HH22 ARG 16 HH22 ARG 16 19.443 4.338 -9.128 153 H TYR 17 H TYR 17 15.952 -2.319 -12.068 154 HA TYR 17 HA TYR 17 14.706 0.282 -11.761 155 HB2 TYR 17 HB2 TYR 17 12.995 0.003 -13.362 156 HB3 TYR 17 HB3 TYR 17 14.475 -0.442 -14.205 157 HD1 TYR 17 HD1 TYR 17 11.186 -1.309 -13.893 158 HD2 TYR 17 HD2 TYR 17 15.037 -3.111 -13.748 159 HE1 TYR 17 HE1 TYR 17 10.187 -3.477 -14.485 160 HE2 TYR 17 HE2 TYR 17 14.049 -5.284 -14.342 161 HH TYR 17 HH TYR 17 12.182 -6.302 -15.139 162 H ARG 18 H ARG 18 12.580 0.151 -10.761 163 HA ARG 18 HA ARG 18 12.197 -2.371 -9.284 164 HB2 ARG 18 HB2 ARG 18 11.365 -1.032 -7.401 165 HB3 ARG 18 HB3 ARG 18 13.021 -0.608 -7.812 166 HG2 ARG 18 HG2 ARG 18 11.012 1.017 -9.175 167 HG3 ARG 18 HG3 ARG 18 10.990 1.162 -7.417 168 HD2 ARG 18 HD2 ARG 18 12.535 2.704 -8.863 169 HD3 ARG 18 HD3 ARG 18 13.105 2.050 -7.328 170 HE ARG 18 HE ARG 18 13.798 0.263 -9.366 171 HH11 ARG 18 HH11 ARG 18 14.581 3.472 -8.266 172 HH12 ARG 18 HH12 ARG 18 16.200 3.429 -8.881 173 HH21 ARG 18 HH21 ARG 18 15.928 0.194 -10.180 174 HH22 ARG 18 HH22 ARG 18 16.965 1.564 -9.971 175 H ARG 19 H ARG 19 10.076 -3.042 -8.867 176 HA ARG 19 HA ARG 19 8.082 -1.860 -10.670 177 HB2 ARG 19 HB2 ARG 19 8.559 -4.208 -11.093 178 HB3 ARG 19 HB3 ARG 19 8.218 -4.605 -9.415 179 HG2 ARG 19 HG2 ARG 19 6.226 -5.191 -10.303 180 HG3 ARG 19 HG3 ARG 19 5.889 -3.478 -10.043 181 HD2 ARG 19 HD2 ARG 19 5.188 -3.922 -12.243 182 HD3 ARG 19 HD3 ARG 19 6.742 -3.106 -12.405 183 HE ARG 19 HE ARG 19 7.348 -5.774 -12.395 184 HH11 ARG 19 HH11 ARG 19 5.300 -3.701 -14.300 185 HH12 ARG 19 HH12 ARG 19 5.464 -4.647 -15.743 186 HH21 ARG 19 HH21 ARG 19 7.572 -7.027 -14.287 187 HH22 ARG 19 HH22 ARG 19 6.756 -6.539 -15.734 188 H CYS 20 H CYS 20 6.428 -0.767 -9.849 189 HA CYS 20 HA CYS 20 5.722 -1.207 -7.021 190 HB2 CYS 20 HB2 CYS 20 5.700 1.380 -8.589 191 HB3 CYS 20 HB3 CYS 20 5.050 1.195 -6.963 192 H TRP 21 H TRP 21 3.779 -2.072 -6.798 193 HA TRP 21 HA TRP 21 1.704 -1.402 -8.782 194 HB2 TRP 21 HB2 TRP 21 0.731 -3.653 -8.298 195 HB3 TRP 21 HB3 TRP 21 2.319 -3.716 -9.057 196 HD1 TRP 21 HD1 TRP 21 0.573 -4.401 -5.714 197 HE1 TRP 21 HE1 TRP 21 2.107 -5.889 -4.280 198 HE3 TRP 21 HE3 TRP 21 4.739 -4.365 -8.677 199 HZ2 TRP 21 HZ2 TRP 21 4.736 -6.912 -4.390 200 HZ3 TRP 21 HZ3 TRP 21 6.721 -5.623 -7.940 201 HH2 TRP 21 HH2 TRP 21 6.718 -6.869 -5.840 Start of MODEL 14 1 H ARG 1 H ARG 1 1.439 0.433 1.286 2 HA ARG 1 HA ARG 1 1.626 -0.448 -1.317 3 HB2 ARG 1 HB2 ARG 1 3.227 1.317 -1.688 4 HB3 ARG 1 HB3 ARG 1 2.009 1.886 -0.555 5 HG2 ARG 1 HG2 ARG 1 4.477 0.688 0.568 6 HG3 ARG 1 HG3 ARG 1 4.594 2.286 -0.171 7 HD2 ARG 1 HD2 ARG 1 4.055 2.923 1.943 8 HD3 ARG 1 HD3 ARG 1 2.425 2.697 1.308 9 HE ARG 1 HE ARG 1 3.482 0.312 2.474 10 HH11 ARG 1 HH11 ARG 1 1.945 3.355 3.183 11 HH12 ARG 1 HH12 ARG 1 1.245 2.803 4.669 12 HH21 ARG 1 HH21 ARG 1 2.566 -0.425 4.428 13 HH22 ARG 1 HH22 ARG 1 1.599 0.653 5.377 14 H TRP 2 H TRP 2 3.313 -1.301 -2.589 15 HA TRP 2 HA TRP 2 5.577 -2.500 -1.178 16 HB2 TRP 2 HB2 TRP 2 3.626 -4.146 -1.354 17 HB3 TRP 2 HB3 TRP 2 3.924 -4.145 -3.090 18 HD1 TRP 2 HD1 TRP 2 6.532 -4.930 -3.799 19 HE1 TRP 2 HE1 TRP 2 7.956 -6.806 -2.759 20 HE3 TRP 2 HE3 TRP 2 4.107 -5.404 0.676 21 HZ2 TRP 2 HZ2 TRP 2 8.040 -8.289 -0.359 22 HZ3 TRP 2 HZ3 TRP 2 4.922 -7.075 2.288 23 HH2 TRP 2 HH2 TRP 2 6.847 -8.487 1.779 24 H CYS 3 H CYS 3 7.405 -2.779 -2.425 25 HA CYS 3 HA CYS 3 7.251 -2.174 -5.280 26 HB2 CYS 3 HB2 CYS 3 9.051 -0.687 -3.355 27 HB3 CYS 3 HB3 CYS 3 9.100 -0.544 -5.109 28 H VAL 4 H VAL 4 8.599 -3.390 -6.462 29 HA VAL 4 HA VAL 4 10.765 -4.815 -5.060 30 HB VAL 4 HB VAL 4 10.350 -6.634 -6.843 31 HG11 VAL 4 HG11 VAL 4 8.427 -7.568 -5.410 32 HG12 VAL 4 HG12 VAL 4 9.970 -7.232 -4.623 33 HG13 VAL 4 HG13 VAL 4 8.626 -6.103 -4.449 34 HG21 VAL 4 HG21 VAL 4 8.019 -6.810 -7.595 35 HG22 VAL 4 HG22 VAL 4 7.679 -5.231 -6.886 36 HG23 VAL 4 HG23 VAL 4 8.808 -5.367 -8.234 37 H TYR 5 H TYR 5 12.731 -4.635 -5.931 38 HA TYR 5 HA TYR 5 12.987 -3.207 -8.469 39 HB2 TYR 5 HB2 TYR 5 14.728 -3.603 -6.087 40 HB3 TYR 5 HB3 TYR 5 15.520 -3.362 -7.640 41 HD1 TYR 5 HD1 TYR 5 16.222 -1.199 -7.974 42 HD2 TYR 5 HD2 TYR 5 12.579 -1.855 -5.877 43 HE1 TYR 5 HE1 TYR 5 15.917 1.232 -7.756 44 HE2 TYR 5 HE2 TYR 5 12.263 0.574 -5.655 45 HH TYR 5 HH TYR 5 14.475 2.863 -7.186 46 H ALA 6 H ALA 6 14.071 -4.008 -10.231 47 HA ALA 6 HA ALA 6 15.356 -6.604 -10.109 48 HB1 ALA 6 HB1 ALA 6 12.747 -6.152 -11.500 49 HB2 ALA 6 HB2 ALA 6 13.893 -7.344 -12.113 50 HB3 ALA 6 HB3 ALA 6 13.252 -7.498 -10.477 51 H TYR 7 H TYR 7 16.058 -7.242 -12.440 52 HA TYR 7 HA TYR 7 16.933 -4.799 -13.839 53 HB2 TYR 7 HB2 TYR 7 18.450 -7.204 -12.968 54 HB3 TYR 7 HB3 TYR 7 18.883 -6.499 -14.521 55 HD1 TYR 7 HD1 TYR 7 19.720 -4.168 -14.629 56 HD2 TYR 7 HD2 TYR 7 19.011 -6.120 -10.915 57 HE1 TYR 7 HE1 TYR 7 21.087 -2.474 -13.484 58 HE2 TYR 7 HE2 TYR 7 20.374 -4.430 -9.760 59 HH TYR 7 HH TYR 7 22.428 -2.328 -11.347 60 H ARG 8 H ARG 8 16.893 -4.794 -16.059 61 HA ARG 8 HA ARG 8 15.925 -7.215 -17.408 62 HB2 ARG 8 HB2 ARG 8 14.204 -6.083 -18.547 63 HB3 ARG 8 HB3 ARG 8 14.065 -5.546 -16.878 64 HG2 ARG 8 HG2 ARG 8 15.677 -3.628 -17.823 65 HG3 ARG 8 HG3 ARG 8 14.806 -4.040 -19.302 66 HD2 ARG 8 HD2 ARG 8 12.686 -3.841 -17.872 67 HD3 ARG 8 HD3 ARG 8 13.716 -3.021 -16.698 68 HE ARG 8 HE ARG 8 14.186 -1.722 -19.055 69 HH11 ARG 8 HH11 ARG 8 11.361 -2.438 -17.150 70 HH12 ARG 8 HH12 ARG 8 10.505 -1.016 -17.648 71 HH21 ARG 8 HH21 ARG 8 13.069 0.153 -19.718 72 HH22 ARG 8 HH22 ARG 8 11.477 0.456 -19.109 73 H ARG 9 H ARG 9 16.625 -7.494 -19.508 74 HA ARG 9 HA ARG 9 18.904 -5.849 -20.272 75 HB2 ARG 9 HB2 ARG 9 18.207 -8.598 -20.546 76 HB3 ARG 9 HB3 ARG 9 18.408 -7.927 -22.159 77 HG2 ARG 9 HG2 ARG 9 20.529 -8.684 -21.635 78 HG3 ARG 9 HG3 ARG 9 20.616 -6.965 -21.246 79 HD2 ARG 9 HD2 ARG 9 21.637 -8.413 -19.517 80 HD3 ARG 9 HD3 ARG 9 20.310 -7.427 -18.905 81 HE ARG 9 HE ARG 9 19.103 -9.342 -18.507 82 HH11 ARG 9 HH11 ARG 9 21.882 -10.094 -20.464 83 HH12 ARG 9 HH12 ARG 9 21.685 -11.809 -20.316 84 HH21 ARG 9 HH21 ARG 9 18.833 -11.598 -18.304 85 HH22 ARG 9 HH22 ARG 9 19.950 -12.664 -19.088 86 H VAL 10 H VAL 10 19.027 -4.616 -22.091 87 HA VAL 10 HA VAL 10 16.834 -4.652 -24.012 88 HB VAL 10 HB VAL 10 15.972 -3.018 -22.527 89 HG11 VAL 10 HG11 VAL 10 17.403 -2.153 -21.046 90 HG12 VAL 10 HG12 VAL 10 18.785 -2.382 -22.119 91 HG13 VAL 10 HG13 VAL 10 17.768 -0.950 -22.282 92 HG21 VAL 10 HG21 VAL 10 16.589 -2.436 -25.129 93 HG22 VAL 10 HG22 VAL 10 15.525 -1.482 -24.095 94 HG23 VAL 10 HG23 VAL 10 17.221 -1.032 -24.268 95 H ARG 11 H ARG 11 17.920 -4.973 -25.845 96 HA ARG 11 HA ARG 11 19.396 -4.713 -27.556 97 HB2 ARG 11 HB2 ARG 11 19.305 -1.979 -26.345 98 HB3 ARG 11 HB3 ARG 11 20.486 -2.318 -27.603 99 HG2 ARG 11 HG2 ARG 11 18.784 -1.563 -28.895 100 HG3 ARG 11 HG3 ARG 11 18.350 -3.273 -28.839 101 HD2 ARG 11 HD2 ARG 11 16.650 -2.914 -27.288 102 HD3 ARG 11 HD3 ARG 11 17.304 -1.355 -26.791 103 HE ARG 11 HE ARG 11 15.511 -1.859 -28.965 104 HH11 ARG 11 HH11 ARG 11 18.013 0.257 -27.788 105 HH12 ARG 11 HH12 ARG 11 17.482 1.617 -28.721 106 HH21 ARG 11 HH21 ARG 11 14.802 -0.075 -30.197 107 HH22 ARG 11 HH22 ARG 11 15.655 1.427 -30.090 108 H GLY 12 H GLY 12 20.420 -6.119 -25.477 109 HA2 GLY 12 HA2 GLY 12 22.459 -6.952 -24.802 110 HA3 GLY 12 HA3 GLY 12 23.228 -5.766 -25.847 111 H VAL 13 H VAL 13 21.114 -4.179 -23.835 112 HA VAL 13 HA VAL 13 23.305 -3.478 -21.997 113 HB VAL 13 HB VAL 13 20.851 -1.795 -22.382 114 HG11 VAL 13 HG11 VAL 13 22.949 -0.122 -22.023 115 HG12 VAL 13 HG12 VAL 13 21.958 -0.767 -20.713 116 HG13 VAL 13 HG13 VAL 13 23.494 -1.534 -21.119 117 HG21 VAL 13 HG21 VAL 13 23.034 -2.248 -24.302 118 HG22 VAL 13 HG22 VAL 13 21.400 -1.637 -24.563 119 HG23 VAL 13 HG23 VAL 13 22.661 -0.557 -23.967 120 H LEU 14 H LEU 14 22.570 -2.749 -19.801 121 HA LEU 14 HA LEU 14 20.219 -4.248 -18.870 122 HB2 LEU 14 HB2 LEU 14 22.243 -5.550 -18.402 123 HB3 LEU 14 HB3 LEU 14 22.918 -4.177 -17.526 124 HG LEU 14 HG LEU 14 21.330 -4.416 -15.769 125 HD11 LEU 14 HD11 LEU 14 19.836 -6.676 -16.239 126 HD12 LEU 14 HD12 LEU 14 19.818 -5.851 -17.797 127 HD13 LEU 14 HD13 LEU 14 19.262 -5.012 -16.350 128 HD21 LEU 14 HD21 LEU 14 22.937 -5.895 -15.175 129 HD22 LEU 14 HD22 LEU 14 22.807 -6.812 -16.676 130 HD23 LEU 14 HD23 LEU 14 21.619 -7.047 -15.393 131 H VAL 15 H VAL 15 18.879 -3.055 -17.689 132 HA VAL 15 HA VAL 15 19.942 -0.650 -16.356 133 HB VAL 15 HB VAL 15 17.716 0.413 -16.763 134 HG11 VAL 15 HG11 VAL 15 19.102 -0.347 -19.326 135 HG12 VAL 15 HG12 VAL 15 18.234 1.146 -18.964 136 HG13 VAL 15 HG13 VAL 15 19.768 0.801 -18.165 137 HG21 VAL 15 HG21 VAL 15 16.353 -0.537 -18.624 138 HG22 VAL 15 HG22 VAL 15 17.339 -1.996 -18.537 139 HG23 VAL 15 HG23 VAL 15 16.350 -1.517 -17.158 140 H ARG 16 H ARG 16 18.608 0.111 -14.532 141 HA ARG 16 HA ARG 16 17.517 -2.179 -13.050 142 HB2 ARG 16 HB2 ARG 16 19.260 -1.294 -11.779 143 HB3 ARG 16 HB3 ARG 16 18.864 0.364 -12.212 144 HG2 ARG 16 HG2 ARG 16 16.839 0.223 -10.823 145 HG3 ARG 16 HG3 ARG 16 17.300 -1.415 -10.354 146 HD2 ARG 16 HD2 ARG 16 17.901 0.464 -8.745 147 HD3 ARG 16 HD3 ARG 16 19.186 -0.664 -9.176 148 HE ARG 16 HE ARG 16 19.079 1.701 -10.820 149 HH11 ARG 16 HH11 ARG 16 20.352 0.259 -7.918 150 HH12 ARG 16 HH12 ARG 16 21.703 1.338 -7.818 151 HH21 ARG 16 HH21 ARG 16 20.854 3.128 -10.699 152 HH22 ARG 16 HH22 ARG 16 21.987 2.971 -9.400 153 H TYR 17 H TYR 17 15.442 -2.227 -12.428 154 HA TYR 17 HA TYR 17 13.873 0.231 -12.382 155 HB2 TYR 17 HB2 TYR 17 12.184 -0.546 -13.866 156 HB3 TYR 17 HB3 TYR 17 13.717 -0.796 -14.694 157 HD1 TYR 17 HD1 TYR 17 10.646 -2.239 -14.089 158 HD2 TYR 17 HD2 TYR 17 14.784 -3.230 -14.086 159 HE1 TYR 17 HE1 TYR 17 10.073 -4.608 -14.419 160 HE2 TYR 17 HE2 TYR 17 14.222 -5.601 -14.417 161 HH TYR 17 HH TYR 17 11.211 -6.864 -13.918 162 H ARG 18 H ARG 18 11.458 -0.505 -11.806 163 HA ARG 18 HA ARG 18 11.342 -2.775 -10.029 164 HB2 ARG 18 HB2 ARG 18 10.956 -1.601 -7.997 165 HB3 ARG 18 HB3 ARG 18 12.428 -0.933 -8.689 166 HG2 ARG 18 HG2 ARG 18 9.696 0.315 -8.902 167 HG3 ARG 18 HG3 ARG 18 10.950 0.789 -7.753 168 HD2 ARG 18 HD2 ARG 18 10.952 1.053 -10.746 169 HD3 ARG 18 HD3 ARG 18 11.111 2.322 -9.533 170 HE ARG 18 HE ARG 18 13.210 0.302 -9.653 171 HH11 ARG 18 HH11 ARG 18 12.144 3.535 -10.378 172 HH12 ARG 18 HH12 ARG 18 13.745 4.147 -10.631 173 HH21 ARG 18 HH21 ARG 18 15.323 1.095 -9.983 174 HH22 ARG 18 HH22 ARG 18 15.553 2.757 -10.407 175 H ARG 19 H ARG 19 9.113 -2.260 -8.604 176 HA ARG 19 HA ARG 19 7.074 -1.157 -10.355 177 HB2 ARG 19 HB2 ARG 19 7.227 -3.425 -11.188 178 HB3 ARG 19 HB3 ARG 19 7.122 -4.070 -9.555 179 HG2 ARG 19 HG2 ARG 19 4.867 -3.638 -9.383 180 HG3 ARG 19 HG3 ARG 19 4.908 -2.377 -10.617 181 HD2 ARG 19 HD2 ARG 19 5.611 -5.145 -11.433 182 HD3 ARG 19 HD3 ARG 19 3.917 -4.794 -11.093 183 HE ARG 19 HE ARG 19 3.881 -3.310 -12.913 184 HH11 ARG 19 HH11 ARG 19 6.984 -4.832 -12.497 185 HH12 ARG 19 HH12 ARG 19 7.544 -4.423 -14.085 186 HH21 ARG 19 HH21 ARG 19 4.606 -2.765 -15.006 187 HH22 ARG 19 HH22 ARG 19 6.190 -3.246 -15.511 188 H CYS 20 H CYS 20 6.013 0.149 -9.022 189 HA CYS 20 HA CYS 20 5.536 -0.729 -6.255 190 HB2 CYS 20 HB2 CYS 20 5.597 2.032 -7.483 191 HB3 CYS 20 HB3 CYS 20 5.080 1.712 -5.831 192 H TRP 21 H TRP 21 3.580 -1.504 -5.872 193 HA TRP 21 HA TRP 21 1.297 -0.341 -7.328 194 HB2 TRP 21 HB2 TRP 21 0.235 -2.486 -7.407 195 HB3 TRP 21 HB3 TRP 21 1.879 -2.696 -8.004 196 HD1 TRP 21 HD1 TRP 21 -0.306 -3.486 -4.940 197 HE1 TRP 21 HE1 TRP 21 0.797 -5.408 -3.631 198 HE3 TRP 21 HE3 TRP 21 4.063 -3.856 -7.569 199 HZ2 TRP 21 HZ2 TRP 21 3.201 -6.885 -3.703 200 HZ3 TRP 21 HZ3 TRP 21 5.712 -5.549 -6.884 201 HH2 TRP 21 HH2 TRP 21 5.288 -7.031 -4.990 Start of MODEL 15 1 H ARG 1 H ARG 1 0.643 0.814 -0.230 2 HA ARG 1 HA ARG 1 1.086 -0.584 -2.667 3 HB2 ARG 1 HB2 ARG 1 2.584 1.776 -1.513 4 HB3 ARG 1 HB3 ARG 1 2.656 1.229 -3.182 5 HG2 ARG 1 HG2 ARG 1 0.162 1.646 -3.285 6 HG3 ARG 1 HG3 ARG 1 0.339 2.476 -1.738 7 HD2 ARG 1 HD2 ARG 1 0.472 4.165 -3.369 8 HD3 ARG 1 HD3 ARG 1 2.136 3.873 -2.864 9 HE ARG 1 HE ARG 1 1.496 2.279 -5.110 10 HH11 ARG 1 HH11 ARG 1 2.193 5.565 -4.196 11 HH12 ARG 1 HH12 ARG 1 2.833 5.999 -5.747 12 HH21 ARG 1 HH21 ARG 1 2.337 2.837 -7.156 13 HH22 ARG 1 HH22 ARG 1 2.913 4.447 -7.430 14 H TRP 2 H TRP 2 3.174 -1.266 -3.497 15 HA TRP 2 HA TRP 2 5.284 -1.826 -1.602 16 HB2 TRP 2 HB2 TRP 2 3.698 -3.704 -1.254 17 HB3 TRP 2 HB3 TRP 2 3.847 -4.117 -2.960 18 HD1 TRP 2 HD1 TRP 2 6.559 -4.659 -3.707 19 HE1 TRP 2 HE1 TRP 2 8.242 -6.118 -2.418 20 HE3 TRP 2 HE3 TRP 2 4.361 -4.551 0.908 21 HZ2 TRP 2 HZ2 TRP 2 8.592 -7.095 0.208 22 HZ3 TRP 2 HZ3 TRP 2 5.434 -5.774 2.754 23 HH2 TRP 2 HH2 TRP 2 7.505 -7.019 2.409 24 H CYS 3 H CYS 3 7.232 -1.913 -2.577 25 HA CYS 3 HA CYS 3 7.268 -2.082 -5.519 26 HB2 CYS 3 HB2 CYS 3 9.087 -0.424 -3.760 27 HB3 CYS 3 HB3 CYS 3 9.145 -0.512 -5.517 28 H VAL 4 H VAL 4 9.323 -2.839 -6.440 29 HA VAL 4 HA VAL 4 11.045 -4.377 -4.670 30 HB VAL 4 HB VAL 4 10.795 -6.386 -6.254 31 HG11 VAL 4 HG11 VAL 4 8.594 -5.648 -4.329 32 HG12 VAL 4 HG12 VAL 4 8.898 -7.275 -4.942 33 HG13 VAL 4 HG13 VAL 4 10.106 -6.468 -3.941 34 HG21 VAL 4 HG21 VAL 4 9.477 -5.292 -7.975 35 HG22 VAL 4 HG22 VAL 4 8.569 -6.630 -7.272 36 HG23 VAL 4 HG23 VAL 4 8.190 -4.970 -6.813 37 H TYR 5 H TYR 5 13.095 -4.337 -5.351 38 HA TYR 5 HA TYR 5 13.702 -3.016 -7.854 39 HB2 TYR 5 HB2 TYR 5 15.681 -4.147 -5.877 40 HB3 TYR 5 HB3 TYR 5 15.947 -2.877 -7.066 41 HD1 TYR 5 HD1 TYR 5 15.154 -3.581 -3.685 42 HD2 TYR 5 HD2 TYR 5 14.546 -0.709 -6.764 43 HE1 TYR 5 HE1 TYR 5 14.603 -1.888 -1.988 44 HE2 TYR 5 HE2 TYR 5 13.995 0.993 -5.076 45 HH TYR 5 HH TYR 5 14.387 1.433 -2.709 46 H ALA 6 H ALA 6 14.595 -3.915 -9.641 47 HA ALA 6 HA ALA 6 15.631 -6.615 -9.606 48 HB1 ALA 6 HB1 ALA 6 12.978 -6.489 -9.958 49 HB2 ALA 6 HB2 ALA 6 13.505 -6.277 -11.628 50 HB3 ALA 6 HB3 ALA 6 13.998 -7.708 -10.723 51 H TYR 7 H TYR 7 15.694 -7.184 -12.260 52 HA TYR 7 HA TYR 7 16.988 -4.848 -13.498 53 HB2 TYR 7 HB2 TYR 7 18.043 -7.638 -13.165 54 HB3 TYR 7 HB3 TYR 7 18.565 -6.651 -14.526 55 HD1 TYR 7 HD1 TYR 7 19.893 -4.623 -14.154 56 HD2 TYR 7 HD2 TYR 7 18.762 -7.145 -10.920 57 HE1 TYR 7 HE1 TYR 7 21.574 -3.535 -12.725 58 HE2 TYR 7 HE2 TYR 7 20.439 -6.063 -9.482 59 HH TYR 7 HH TYR 7 22.921 -4.259 -10.590 60 H ARG 8 H ARG 8 17.134 -4.948 -15.842 61 HA ARG 8 HA ARG 8 15.442 -6.883 -17.196 62 HB2 ARG 8 HB2 ARG 8 14.121 -5.077 -18.311 63 HB3 ARG 8 HB3 ARG 8 13.790 -5.251 -16.593 64 HG2 ARG 8 HG2 ARG 8 13.953 -2.994 -16.701 65 HG3 ARG 8 HG3 ARG 8 15.654 -3.377 -16.424 66 HD2 ARG 8 HD2 ARG 8 15.365 -1.743 -18.230 67 HD3 ARG 8 HD3 ARG 8 16.098 -3.239 -18.806 68 HE ARG 8 HE ARG 8 14.249 -3.610 -20.113 69 HH11 ARG 8 HH11 ARG 8 13.554 -1.095 -17.808 70 HH12 ARG 8 HH12 ARG 8 12.041 -0.667 -18.535 71 HH21 ARG 8 HH21 ARG 8 12.259 -3.055 -21.079 72 HH22 ARG 8 HH22 ARG 8 11.305 -1.783 -20.395 73 H ARG 9 H ARG 9 15.783 -6.978 -19.442 74 HA ARG 9 HA ARG 9 18.279 -5.695 -20.297 75 HB2 ARG 9 HB2 ARG 9 17.248 -8.331 -20.558 76 HB3 ARG 9 HB3 ARG 9 17.365 -7.645 -22.173 77 HG2 ARG 9 HG2 ARG 9 19.425 -8.651 -21.877 78 HG3 ARG 9 HG3 ARG 9 19.748 -6.964 -21.475 79 HD2 ARG 9 HD2 ARG 9 20.755 -8.584 -19.884 80 HD3 ARG 9 HD3 ARG 9 19.645 -7.442 -19.128 81 HE ARG 9 HE ARG 9 18.353 -9.210 -18.502 82 HH11 ARG 9 HH11 ARG 9 20.360 -10.197 -21.170 83 HH12 ARG 9 HH12 ARG 9 19.849 -11.851 -21.112 84 HH21 ARG 9 HH21 ARG 9 17.672 -11.386 -18.416 85 HH22 ARG 9 HH22 ARG 9 18.319 -12.526 -19.546 86 H VAL 10 H VAL 10 18.374 -4.347 -22.012 87 HA VAL 10 HA VAL 10 16.072 -4.098 -23.790 88 HB VAL 10 HB VAL 10 15.449 -2.455 -22.222 89 HG11 VAL 10 HG11 VAL 10 18.356 -2.055 -21.963 90 HG12 VAL 10 HG12 VAL 10 17.365 -0.603 -21.813 91 HG13 VAL 10 HG13 VAL 10 17.084 -1.978 -20.744 92 HG21 VAL 10 HG21 VAL 10 15.173 -0.734 -23.644 93 HG22 VAL 10 HG22 VAL 10 16.905 -0.554 -23.925 94 HG23 VAL 10 HG23 VAL 10 15.995 -1.788 -24.795 95 H ARG 11 H ARG 11 16.971 -4.389 -25.722 96 HA ARG 11 HA ARG 11 18.351 -4.192 -27.519 97 HB2 ARG 11 HB2 ARG 11 18.717 -1.541 -26.161 98 HB3 ARG 11 HB3 ARG 11 19.654 -1.942 -27.594 99 HG2 ARG 11 HG2 ARG 11 17.701 -2.134 -28.925 100 HG3 ARG 11 HG3 ARG 11 16.653 -2.069 -27.507 101 HD2 ARG 11 HD2 ARG 11 18.505 0.201 -28.088 102 HD3 ARG 11 HD3 ARG 11 16.998 0.053 -28.991 103 HE ARG 11 HE ARG 11 17.303 0.822 -26.238 104 HH11 ARG 11 HH11 ARG 11 15.149 -0.535 -28.612 105 HH12 ARG 11 HH12 ARG 11 13.711 -0.081 -27.758 106 HH21 ARG 11 HH21 ARG 11 15.418 1.424 -25.103 107 HH22 ARG 11 HH22 ARG 11 13.866 1.034 -25.762 108 H GLY 12 H GLY 12 19.352 -5.794 -25.548 109 HA2 GLY 12 HA2 GLY 12 21.333 -6.880 -25.085 110 HA3 GLY 12 HA3 GLY 12 22.152 -5.723 -26.124 111 H VAL 13 H VAL 13 20.352 -4.060 -23.872 112 HA VAL 13 HA VAL 13 22.744 -3.617 -22.223 113 HB VAL 13 HB VAL 13 20.311 -1.845 -22.284 114 HG11 VAL 13 HG11 VAL 13 22.356 -0.213 -21.795 115 HG12 VAL 13 HG12 VAL 13 21.532 -1.104 -20.513 116 HG13 VAL 13 HG13 VAL 13 23.055 -1.706 -21.170 117 HG21 VAL 13 HG21 VAL 13 22.748 -1.672 -24.055 118 HG22 VAL 13 HG22 VAL 13 21.105 -2.045 -24.576 119 HG23 VAL 13 HG23 VAL 13 21.483 -0.448 -23.929 120 H LEU 14 H LEU 14 22.423 -3.213 -19.917 121 HA LEU 14 HA LEU 14 20.041 -4.521 -18.800 122 HB2 LEU 14 HB2 LEU 14 21.860 -6.150 -18.839 123 HB3 LEU 14 HB3 LEU 14 22.891 -5.026 -17.956 124 HG LEU 14 HG LEU 14 21.759 -6.987 -16.696 125 HD11 LEU 14 HD11 LEU 14 21.886 -5.783 -14.700 126 HD12 LEU 14 HD12 LEU 14 21.387 -4.276 -15.468 127 HD13 LEU 14 HD13 LEU 14 22.990 -4.939 -15.786 128 HD21 LEU 14 HD21 LEU 14 19.556 -6.887 -16.186 129 HD22 LEU 14 HD22 LEU 14 19.484 -6.032 -17.727 130 HD23 LEU 14 HD23 LEU 14 19.515 -5.124 -16.214 131 H VAL 15 H VAL 15 19.046 -3.041 -17.611 132 HA VAL 15 HA VAL 15 20.687 -1.218 -15.974 133 HB VAL 15 HB VAL 15 18.626 0.294 -16.057 134 HG11 VAL 15 HG11 VAL 15 20.826 0.569 -17.306 135 HG12 VAL 15 HG12 VAL 15 19.976 -0.065 -18.717 136 HG13 VAL 15 HG13 VAL 15 19.428 1.428 -17.954 137 HG21 VAL 15 HG21 VAL 15 18.003 -1.513 -18.390 138 HG22 VAL 15 HG22 VAL 15 17.036 -1.312 -16.929 139 HG23 VAL 15 HG23 VAL 15 17.212 0.029 -18.061 140 H ARG 16 H ARG 16 19.400 -0.326 -14.062 141 HA ARG 16 HA ARG 16 17.989 -2.570 -12.783 142 HB2 ARG 16 HB2 ARG 16 19.813 -2.212 -11.421 143 HB3 ARG 16 HB3 ARG 16 19.867 -0.489 -11.765 144 HG2 ARG 16 HG2 ARG 16 17.878 -0.160 -10.364 145 HG3 ARG 16 HG3 ARG 16 17.874 -1.886 -9.992 146 HD2 ARG 16 HD2 ARG 16 18.947 -0.350 -8.278 147 HD3 ARG 16 HD3 ARG 16 19.896 -1.741 -8.801 148 HE ARG 16 HE ARG 16 20.422 0.660 -10.295 149 HH11 ARG 16 HH11 ARG 16 21.235 -1.197 -7.465 150 HH12 ARG 16 HH12 ARG 16 22.813 -0.501 -7.301 151 HH21 ARG 16 HH21 ARG 16 22.498 1.584 -10.090 152 HH22 ARG 16 HH22 ARG 16 23.530 1.082 -8.795 153 H TYR 17 H TYR 17 15.983 -2.296 -11.968 154 HA TYR 17 HA TYR 17 14.881 0.334 -11.515 155 HB2 TYR 17 HB2 TYR 17 13.172 0.296 -13.139 156 HB3 TYR 17 HB3 TYR 17 14.627 -0.172 -14.012 157 HD1 TYR 17 HD1 TYR 17 15.015 -2.904 -13.760 158 HD2 TYR 17 HD2 TYR 17 11.291 -0.846 -13.799 159 HE1 TYR 17 HE1 TYR 17 13.897 -4.954 -14.533 160 HE2 TYR 17 HE2 TYR 17 10.162 -2.891 -14.571 161 HH TYR 17 HH TYR 17 11.892 -5.951 -14.849 162 H ARG 18 H ARG 18 12.697 0.236 -10.591 163 HA ARG 18 HA ARG 18 12.299 -2.289 -9.134 164 HB2 ARG 18 HB2 ARG 18 10.997 -0.822 -7.523 165 HB3 ARG 18 HB3 ARG 18 12.735 -0.556 -7.582 166 HG2 ARG 18 HG2 ARG 18 11.188 1.121 -9.418 167 HG3 ARG 18 HG3 ARG 18 10.858 1.396 -7.707 168 HD2 ARG 18 HD2 ARG 18 12.809 2.658 -8.974 169 HD3 ARG 18 HD3 ARG 18 12.959 2.173 -7.286 170 HE ARG 18 HE ARG 18 13.904 0.221 -9.190 171 HH11 ARG 18 HH11 ARG 18 14.716 2.967 -7.211 172 HH12 ARG 18 HH12 ARG 18 16.409 2.600 -7.168 173 HH21 ARG 18 HH21 ARG 18 16.130 -0.274 -9.140 174 HH22 ARG 18 HH22 ARG 18 17.212 0.757 -8.266 175 H ARG 19 H ARG 19 9.879 -2.417 -8.336 176 HA ARG 19 HA ARG 19 8.041 -1.653 -10.481 177 HB2 ARG 19 HB2 ARG 19 8.659 -3.842 -11.175 178 HB3 ARG 19 HB3 ARG 19 8.557 -4.467 -9.534 179 HG2 ARG 19 HG2 ARG 19 6.292 -4.666 -9.599 180 HG3 ARG 19 HG3 ARG 19 6.096 -3.326 -10.730 181 HD2 ARG 19 HD2 ARG 19 7.193 -6.052 -11.412 182 HD3 ARG 19 HD3 ARG 19 5.556 -5.494 -11.754 183 HE ARG 19 HE ARG 19 7.214 -3.646 -12.924 184 HH11 ARG 19 HH11 ARG 19 6.714 -7.082 -13.176 185 HH12 ARG 19 HH12 ARG 19 7.184 -7.160 -14.842 186 HH21 ARG 19 HH21 ARG 19 7.834 -3.736 -15.118 187 HH22 ARG 19 HH22 ARG 19 7.822 -5.256 -15.945 188 H CYS 20 H CYS 20 6.531 -0.513 -9.466 189 HA CYS 20 HA CYS 20 5.612 -1.428 -6.822 190 HB2 CYS 20 HB2 CYS 20 5.250 1.334 -7.987 191 HB3 CYS 20 HB3 CYS 20 5.006 0.831 -6.317 192 H TRP 21 H TRP 21 3.576 -2.099 -6.595 193 HA TRP 21 HA TRP 21 1.707 -1.604 -8.819 194 HB2 TRP 21 HB2 TRP 21 0.605 -3.745 -8.110 195 HB3 TRP 21 HB3 TRP 21 2.238 -3.944 -8.739 196 HD1 TRP 21 HD1 TRP 21 0.283 -4.052 -5.428 197 HE1 TRP 21 HE1 TRP 21 1.654 -5.406 -3.722 198 HE3 TRP 21 HE3 TRP 21 4.554 -4.713 -8.160 199 HZ2 TRP 21 HZ2 TRP 21 4.208 -6.596 -3.555 200 HZ3 TRP 21 HZ3 TRP 21 6.415 -5.970 -7.153 201 HH2 TRP 21 HH2 TRP 21 6.244 -6.891 -4.899 Start of MODEL 16 1 H ARG 1 H ARG 1 0.960 -0.958 -1.175 2 HA ARG 1 HA ARG 1 2.008 0.292 -3.610 3 HB2 ARG 1 HB2 ARG 1 0.916 1.530 -1.548 4 HB3 ARG 1 HB3 ARG 1 2.534 1.377 -0.877 5 HG2 ARG 1 HG2 ARG 1 2.452 3.492 -1.897 6 HG3 ARG 1 HG3 ARG 1 3.377 2.466 -2.995 7 HD2 ARG 1 HD2 ARG 1 1.861 3.741 -4.317 8 HD3 ARG 1 HD3 ARG 1 1.261 2.084 -4.277 9 HE ARG 1 HE ARG 1 -0.602 2.820 -3.163 10 HH11 ARG 1 HH11 ARG 1 1.836 5.304 -3.093 11 HH12 ARG 1 HH12 ARG 1 0.780 6.503 -2.424 12 HH21 ARG 1 HH21 ARG 1 -2.002 4.390 -2.282 13 HH22 ARG 1 HH22 ARG 1 -1.403 5.982 -1.962 14 H TRP 2 H TRP 2 2.991 -2.271 -2.785 15 HA TRP 2 HA TRP 2 5.568 -1.825 -1.547 16 HB2 TRP 2 HB2 TRP 2 4.222 -3.896 -1.149 17 HB3 TRP 2 HB3 TRP 2 4.498 -4.346 -2.830 18 HD1 TRP 2 HD1 TRP 2 7.265 -4.551 -3.474 19 HE1 TRP 2 HE1 TRP 2 9.104 -5.671 -2.065 20 HE3 TRP 2 HE3 TRP 2 4.949 -4.483 1.083 21 HZ2 TRP 2 HZ2 TRP 2 9.518 -6.427 0.623 22 HZ3 TRP 2 HZ3 TRP 2 6.135 -5.425 3.023 23 HH2 TRP 2 HH2 TRP 2 8.372 -6.377 2.795 24 H CYS 3 H CYS 3 7.496 -1.656 -2.547 25 HA CYS 3 HA CYS 3 7.511 -1.857 -5.487 26 HB2 CYS 3 HB2 CYS 3 9.236 -0.071 -3.759 27 HB3 CYS 3 HB3 CYS 3 9.209 -0.114 -5.519 28 H VAL 4 H VAL 4 8.942 -3.191 -6.409 29 HA VAL 4 HA VAL 4 11.112 -4.275 -4.735 30 HB VAL 4 HB VAL 4 10.802 -6.380 -6.228 31 HG11 VAL 4 HG11 VAL 4 10.169 -5.834 -3.691 32 HG12 VAL 4 HG12 VAL 4 8.552 -6.162 -4.318 33 HG13 VAL 4 HG13 VAL 4 9.815 -7.385 -4.451 34 HG21 VAL 4 HG21 VAL 4 7.976 -5.349 -6.316 35 HG22 VAL 4 HG22 VAL 4 9.095 -5.191 -7.670 36 HG23 VAL 4 HG23 VAL 4 8.635 -6.792 -7.088 37 H TYR 5 H TYR 5 13.092 -4.193 -5.594 38 HA TYR 5 HA TYR 5 13.419 -3.027 -8.224 39 HB2 TYR 5 HB2 TYR 5 15.487 -3.855 -6.177 40 HB3 TYR 5 HB3 TYR 5 15.809 -2.935 -7.642 41 HD1 TYR 5 HD1 TYR 5 14.973 -2.748 -4.192 42 HD2 TYR 5 HD2 TYR 5 14.584 -0.673 -7.886 43 HE1 TYR 5 HE1 TYR 5 14.540 -0.660 -2.967 44 HE2 TYR 5 HE2 TYR 5 14.150 1.421 -6.671 45 HH TYR 5 HH TYR 5 13.352 1.542 -3.446 46 H ALA 6 H ALA 6 14.241 -4.005 -10.010 47 HA ALA 6 HA ALA 6 15.309 -6.704 -9.844 48 HB1 ALA 6 HB1 ALA 6 13.655 -7.233 -11.844 49 HB2 ALA 6 HB2 ALA 6 13.199 -7.501 -10.161 50 HB3 ALA 6 HB3 ALA 6 12.655 -6.049 -11.002 51 H TYR 7 H TYR 7 16.136 -7.456 -11.971 52 HA TYR 7 HA TYR 7 17.161 -5.166 -13.503 53 HB2 TYR 7 HB2 TYR 7 18.272 -7.887 -12.896 54 HB3 TYR 7 HB3 TYR 7 18.850 -6.986 -14.292 55 HD1 TYR 7 HD1 TYR 7 19.404 -7.634 -10.902 56 HD2 TYR 7 HD2 TYR 7 19.522 -4.468 -13.743 57 HE1 TYR 7 HE1 TYR 7 20.959 -6.398 -9.451 58 HE2 TYR 7 HE2 TYR 7 21.078 -3.224 -12.300 59 HH TYR 7 HH TYR 7 21.612 -3.179 -9.778 60 H ARG 8 H ARG 8 17.283 -5.288 -15.786 61 HA ARG 8 HA ARG 8 15.946 -7.457 -17.160 62 HB2 ARG 8 HB2 ARG 8 14.294 -5.998 -18.254 63 HB3 ARG 8 HB3 ARG 8 14.048 -6.075 -16.515 64 HG2 ARG 8 HG2 ARG 8 13.808 -3.838 -16.845 65 HG3 ARG 8 HG3 ARG 8 15.547 -3.909 -16.552 66 HD2 ARG 8 HD2 ARG 8 14.912 -2.513 -18.509 67 HD3 ARG 8 HD3 ARG 8 16.009 -3.837 -18.902 68 HE ARG 8 HE ARG 8 14.366 -4.775 -20.200 69 HH11 ARG 8 HH11 ARG 8 12.982 -2.284 -18.200 70 HH12 ARG 8 HH12 ARG 8 11.447 -2.310 -19.003 71 HH21 ARG 8 HH21 ARG 8 12.349 -4.819 -21.265 72 HH22 ARG 8 HH22 ARG 8 11.088 -3.753 -20.746 73 H ARG 9 H ARG 9 16.208 -7.370 -19.461 74 HA ARG 9 HA ARG 9 18.563 -5.810 -20.234 75 HB2 ARG 9 HB2 ARG 9 17.616 -8.473 -20.803 76 HB3 ARG 9 HB3 ARG 9 17.884 -7.592 -22.301 77 HG2 ARG 9 HG2 ARG 9 19.939 -8.547 -21.953 78 HG3 ARG 9 HG3 ARG 9 20.159 -6.965 -21.203 79 HD2 ARG 9 HD2 ARG 9 21.043 -8.778 -19.805 80 HD3 ARG 9 HD3 ARG 9 19.726 -7.914 -19.013 81 HE ARG 9 HE ARG 9 18.459 -9.829 -19.085 82 HH11 ARG 9 HH11 ARG 9 21.255 -10.201 -21.126 83 HH12 ARG 9 HH12 ARG 9 21.002 -11.895 -21.386 84 HH21 ARG 9 HH21 ARG 9 18.115 -12.058 -19.419 85 HH22 ARG 9 HH22 ARG 9 19.215 -12.950 -20.415 86 H VAL 10 H VAL 10 18.575 -4.402 -21.932 87 HA VAL 10 HA VAL 10 16.181 -4.121 -23.577 88 HB VAL 10 HB VAL 10 15.610 -2.585 -21.875 89 HG11 VAL 10 HG11 VAL 10 17.529 -0.686 -21.555 90 HG12 VAL 10 HG12 VAL 10 17.293 -2.066 -20.481 91 HG13 VAL 10 HG13 VAL 10 18.506 -2.139 -21.759 92 HG21 VAL 10 HG21 VAL 10 15.610 -0.463 -23.007 93 HG22 VAL 10 HG22 VAL 10 16.982 -0.947 -24.004 94 HG23 VAL 10 HG23 VAL 10 15.422 -1.744 -24.205 95 H ARG 11 H ARG 11 17.109 -4.447 -25.511 96 HA ARG 11 HA ARG 11 18.391 -4.115 -27.360 97 HB2 ARG 11 HB2 ARG 11 19.164 -1.466 -26.140 98 HB3 ARG 11 HB3 ARG 11 19.140 -1.898 -27.845 99 HG2 ARG 11 HG2 ARG 11 16.747 -1.980 -27.855 100 HG3 ARG 11 HG3 ARG 11 16.689 -1.760 -26.105 101 HD2 ARG 11 HD2 ARG 11 16.187 0.339 -27.136 102 HD3 ARG 11 HD3 ARG 11 17.792 0.451 -26.416 103 HE ARG 11 HE ARG 11 18.218 -0.300 -29.021 104 HH11 ARG 11 HH11 ARG 11 16.664 2.362 -27.402 105 HH12 ARG 11 HH12 ARG 11 16.999 3.497 -28.668 106 HH21 ARG 11 HH21 ARG 11 18.665 1.185 -30.693 107 HH22 ARG 11 HH22 ARG 11 18.136 2.826 -30.540 108 H GLY 12 H GLY 12 19.548 -5.559 -25.250 109 HA2 GLY 12 HA2 GLY 12 21.608 -6.527 -24.857 110 HA3 GLY 12 HA3 GLY 12 22.310 -5.392 -26.000 111 H VAL 13 H VAL 13 20.435 -4.045 -23.463 112 HA VAL 13 HA VAL 13 22.888 -3.382 -21.969 113 HB VAL 13 HB VAL 13 20.594 -1.457 -22.180 114 HG11 VAL 13 HG11 VAL 13 23.026 -0.121 -22.021 115 HG12 VAL 13 HG12 VAL 13 21.878 -0.388 -20.707 116 HG13 VAL 13 HG13 VAL 13 23.214 -1.513 -20.956 117 HG21 VAL 13 HG21 VAL 13 22.929 -1.682 -24.076 118 HG22 VAL 13 HG22 VAL 13 21.223 -1.891 -24.471 119 HG23 VAL 13 HG23 VAL 13 21.829 -0.306 -23.990 120 H LEU 14 H LEU 14 22.796 -3.591 -19.805 121 HA LEU 14 HA LEU 14 20.312 -4.621 -18.665 122 HB2 LEU 14 HB2 LEU 14 22.767 -5.575 -18.419 123 HB3 LEU 14 HB3 LEU 14 22.828 -4.416 -17.093 124 HG LEU 14 HG LEU 14 21.084 -6.846 -17.377 125 HD11 LEU 14 HD11 LEU 14 22.021 -7.052 -14.958 126 HD12 LEU 14 HD12 LEU 14 23.242 -5.918 -15.534 127 HD13 LEU 14 HD13 LEU 14 23.039 -7.476 -16.334 128 HD21 LEU 14 HD21 LEU 14 19.482 -5.382 -16.599 129 HD22 LEU 14 HD22 LEU 14 20.655 -4.390 -15.732 130 HD23 LEU 14 HD23 LEU 14 20.190 -5.967 -15.093 131 H VAL 15 H VAL 15 19.020 -3.408 -17.458 132 HA VAL 15 HA VAL 15 20.139 -1.003 -16.173 133 HB VAL 15 HB VAL 15 18.098 0.202 -16.586 134 HG11 VAL 15 HG11 VAL 15 18.840 -1.106 -19.192 135 HG12 VAL 15 HG12 VAL 15 18.278 0.545 -18.922 136 HG13 VAL 15 HG13 VAL 15 19.881 0.057 -18.371 137 HG21 VAL 15 HG21 VAL 15 16.358 -0.877 -18.107 138 HG22 VAL 15 HG22 VAL 15 17.122 -2.414 -17.699 139 HG23 VAL 15 HG23 VAL 15 16.406 -1.421 -16.429 140 H ARG 16 H ARG 16 19.028 -0.290 -14.245 141 HA ARG 16 HA ARG 16 17.832 -2.546 -12.785 142 HB2 ARG 16 HB2 ARG 16 19.909 -1.704 -11.816 143 HB3 ARG 16 HB3 ARG 16 19.238 -0.079 -11.747 144 HG2 ARG 16 HG2 ARG 16 17.743 -2.225 -10.359 145 HG3 ARG 16 HG3 ARG 16 19.273 -1.703 -9.651 146 HD2 ARG 16 HD2 ARG 16 16.916 0.053 -10.326 147 HD3 ARG 16 HD3 ARG 16 17.426 -0.437 -8.711 148 HE ARG 16 HE ARG 16 18.548 1.657 -10.318 149 HH11 ARG 16 HH11 ARG 16 19.190 -0.636 -7.779 150 HH12 ARG 16 HH12 ARG 16 20.480 0.292 -7.089 151 HH21 ARG 16 HH21 ARG 16 20.244 2.888 -9.419 152 HH22 ARG 16 HH22 ARG 16 21.078 2.297 -8.022 153 H TYR 17 H TYR 17 15.702 -2.459 -12.584 154 HA TYR 17 HA TYR 17 14.436 0.160 -12.130 155 HB2 TYR 17 HB2 TYR 17 12.601 -0.403 -13.544 156 HB3 TYR 17 HB3 TYR 17 14.063 -0.746 -14.461 157 HD1 TYR 17 HD1 TYR 17 10.920 -1.981 -13.572 158 HD2 TYR 17 HD2 TYR 17 14.933 -3.253 -14.188 159 HE1 TYR 17 HE1 TYR 17 10.127 -4.276 -13.965 160 HE2 TYR 17 HE2 TYR 17 14.151 -5.550 -14.584 161 HH TYR 17 HH TYR 17 11.855 -6.880 -13.754 162 H ARG 18 H ARG 18 11.859 -0.668 -11.708 163 HA ARG 18 HA ARG 18 11.839 -2.802 -9.752 164 HB2 ARG 18 HB2 ARG 18 11.136 -1.461 -7.886 165 HB3 ARG 18 HB3 ARG 18 12.648 -0.802 -8.496 166 HG2 ARG 18 HG2 ARG 18 9.957 0.301 -9.253 167 HG3 ARG 18 HG3 ARG 18 10.889 0.878 -7.869 168 HD2 ARG 18 HD2 ARG 18 11.529 1.069 -10.791 169 HD3 ARG 18 HD3 ARG 18 11.453 2.354 -9.586 170 HE ARG 18 HE ARG 18 13.586 0.317 -9.638 171 HH11 ARG 18 HH11 ARG 18 12.483 3.595 -9.236 172 HH12 ARG 18 HH12 ARG 18 14.056 4.216 -8.858 173 HH21 ARG 18 HH21 ARG 18 15.661 1.123 -9.141 174 HH22 ARG 18 HH22 ARG 18 15.863 2.809 -8.805 175 H ARG 19 H ARG 19 9.465 -2.276 -8.493 176 HA ARG 19 HA ARG 19 7.451 -1.572 -10.442 177 HB2 ARG 19 HB2 ARG 19 7.626 -3.760 -11.221 178 HB3 ARG 19 HB3 ARG 19 7.974 -4.406 -9.623 179 HG2 ARG 19 HG2 ARG 19 5.784 -4.560 -9.052 180 HG3 ARG 19 HG3 ARG 19 5.315 -3.172 -10.036 181 HD2 ARG 19 HD2 ARG 19 4.372 -5.023 -11.123 182 HD3 ARG 19 HD3 ARG 19 5.820 -4.643 -12.054 183 HE ARG 19 HE ARG 19 6.521 -6.536 -10.135 184 HH11 ARG 19 HH11 ARG 19 4.487 -6.285 -12.949 185 HH12 ARG 19 HH12 ARG 19 4.625 -7.962 -13.359 186 HH21 ARG 19 HH21 ARG 19 6.711 -8.746 -10.665 187 HH22 ARG 19 HH22 ARG 19 5.890 -9.362 -12.059 188 H CYS 20 H CYS 20 6.208 -0.289 -9.250 189 HA CYS 20 HA CYS 20 5.686 -1.000 -6.451 190 HB2 CYS 20 HB2 CYS 20 5.235 1.616 -7.904 191 HB3 CYS 20 HB3 CYS 20 4.951 1.336 -6.190 192 H TRP 21 H TRP 21 3.631 -1.259 -5.660 193 HA TRP 21 HA TRP 21 1.347 -0.842 -7.409 194 HB2 TRP 21 HB2 TRP 21 0.535 -3.121 -7.240 195 HB3 TRP 21 HB3 TRP 21 2.151 -3.131 -7.942 196 HD1 TRP 21 HD1 TRP 21 0.410 -3.827 -4.557 197 HE1 TRP 21 HE1 TRP 21 1.826 -5.551 -3.273 198 HE3 TRP 21 HE3 TRP 21 4.361 -4.196 -7.781 199 HZ2 TRP 21 HZ2 TRP 21 4.292 -6.890 -3.585 200 HZ3 TRP 21 HZ3 TRP 21 6.207 -5.720 -7.215 201 HH2 TRP 21 HH2 TRP 21 6.172 -7.038 -5.159 Start of MODEL 17 1 H ARG 1 H ARG 1 1.605 0.477 0.410 2 HA ARG 1 HA ARG 1 1.414 -0.241 -2.410 3 HB2 ARG 1 HB2 ARG 1 2.956 2.199 -1.524 4 HB3 ARG 1 HB3 ARG 1 2.727 1.625 -3.170 5 HG2 ARG 1 HG2 ARG 1 0.405 2.188 -3.116 6 HG3 ARG 1 HG3 ARG 1 0.488 2.564 -1.394 7 HD2 ARG 1 HD2 ARG 1 0.508 4.630 -2.581 8 HD3 ARG 1 HD3 ARG 1 2.134 4.363 -1.955 9 HE ARG 1 HE ARG 1 2.904 4.244 -4.108 10 HH11 ARG 1 HH11 ARG 1 -0.562 3.916 -4.114 11 HH12 ARG 1 HH12 ARG 1 -0.697 4.001 -5.840 12 HH21 ARG 1 HH21 ARG 1 2.739 4.357 -6.380 13 HH22 ARG 1 HH22 ARG 1 1.181 4.250 -7.127 14 H TRP 2 H TRP 2 3.091 -1.458 -3.103 15 HA TRP 2 HA TRP 2 5.480 -1.628 -1.400 16 HB2 TRP 2 HB2 TRP 2 3.954 -3.516 -0.876 17 HB3 TRP 2 HB3 TRP 2 4.023 -4.010 -2.565 18 HD1 TRP 2 HD1 TRP 2 6.698 -4.546 -3.429 19 HE1 TRP 2 HE1 TRP 2 8.479 -5.905 -2.162 20 HE3 TRP 2 HE3 TRP 2 4.754 -4.232 1.288 21 HZ2 TRP 2 HZ2 TRP 2 8.992 -6.734 0.487 22 HZ3 TRP 2 HZ3 TRP 2 5.951 -5.336 3.133 23 HH2 TRP 2 HH2 TRP 2 8.025 -6.561 2.738 24 H CYS 3 H CYS 3 7.373 -1.710 -2.473 25 HA CYS 3 HA CYS 3 7.256 -2.019 -5.403 26 HB2 CYS 3 HB2 CYS 3 9.149 -0.272 -3.814 27 HB3 CYS 3 HB3 CYS 3 9.109 -0.430 -5.567 28 H VAL 4 H VAL 4 9.261 -2.800 -6.402 29 HA VAL 4 HA VAL 4 11.103 -4.236 -4.669 30 HB VAL 4 HB VAL 4 10.781 -6.321 -6.143 31 HG11 VAL 4 HG11 VAL 4 10.251 -6.310 -3.789 32 HG12 VAL 4 HG12 VAL 4 8.707 -5.517 -4.106 33 HG13 VAL 4 HG13 VAL 4 8.984 -7.166 -4.667 34 HG21 VAL 4 HG21 VAL 4 8.498 -6.636 -6.996 35 HG22 VAL 4 HG22 VAL 4 8.122 -4.963 -6.585 36 HG23 VAL 4 HG23 VAL 4 9.333 -5.317 -7.817 37 H TYR 5 H TYR 5 13.109 -4.297 -5.497 38 HA TYR 5 HA TYR 5 13.572 -3.022 -8.050 39 HB2 TYR 5 HB2 TYR 5 15.624 -4.196 -6.169 40 HB3 TYR 5 HB3 TYR 5 15.894 -3.004 -7.436 41 HD1 TYR 5 HD1 TYR 5 15.463 -3.444 -3.995 42 HD2 TYR 5 HD2 TYR 5 14.434 -0.793 -7.160 43 HE1 TYR 5 HE1 TYR 5 15.110 -1.640 -2.361 44 HE2 TYR 5 HE2 TYR 5 14.080 1.019 -5.535 45 HH TYR 5 HH TYR 5 14.638 0.510 -2.065 46 H ALA 6 H ALA 6 14.338 -3.954 -9.885 47 HA ALA 6 HA ALA 6 15.085 -6.778 -9.854 48 HB1 ALA 6 HB1 ALA 6 13.022 -5.767 -11.798 49 HB2 ALA 6 HB2 ALA 6 13.541 -7.431 -11.531 50 HB3 ALA 6 HB3 ALA 6 12.612 -6.588 -10.291 51 H TYR 7 H TYR 7 15.422 -7.325 -12.433 52 HA TYR 7 HA TYR 7 16.920 -5.121 -13.645 53 HB2 TYR 7 HB2 TYR 7 18.035 -7.758 -12.763 54 HB3 TYR 7 HB3 TYR 7 18.705 -6.968 -14.186 55 HD1 TYR 7 HD1 TYR 7 18.377 -6.844 -10.550 56 HD2 TYR 7 HD2 TYR 7 19.915 -4.855 -13.982 57 HE1 TYR 7 HE1 TYR 7 19.789 -5.447 -9.100 58 HE2 TYR 7 HE2 TYR 7 21.332 -3.453 -12.542 59 HH TYR 7 HH TYR 7 22.321 -3.954 -9.885 60 H ARG 8 H ARG 8 16.722 -5.026 -15.805 61 HA ARG 8 HA ARG 8 15.810 -7.400 -17.261 62 HB2 ARG 8 HB2 ARG 8 13.933 -6.414 -18.161 63 HB3 ARG 8 HB3 ARG 8 13.934 -5.703 -16.552 64 HG2 ARG 8 HG2 ARG 8 15.398 -3.869 -17.844 65 HG3 ARG 8 HG3 ARG 8 14.404 -4.454 -19.180 66 HD2 ARG 8 HD2 ARG 8 12.432 -4.148 -17.544 67 HD3 ARG 8 HD3 ARG 8 13.552 -3.147 -16.622 68 HE ARG 8 HE ARG 8 13.742 -2.101 -19.092 69 HH11 ARG 8 HH11 ARG 8 11.013 -2.894 -17.080 70 HH12 ARG 8 HH12 ARG 8 10.005 -1.643 -17.729 71 HH21 ARG 8 HH21 ARG 8 12.425 -0.451 -19.954 72 HH22 ARG 8 HH22 ARG 8 10.809 -0.254 -19.365 73 H ARG 9 H ARG 9 16.388 -7.461 -19.440 74 HA ARG 9 HA ARG 9 18.643 -5.762 -20.117 75 HB2 ARG 9 HB2 ARG 9 17.825 -8.431 -20.731 76 HB3 ARG 9 HB3 ARG 9 18.023 -7.547 -22.238 77 HG2 ARG 9 HG2 ARG 9 20.118 -8.459 -21.872 78 HG3 ARG 9 HG3 ARG 9 20.286 -6.811 -21.265 79 HD2 ARG 9 HD2 ARG 9 21.286 -8.482 -19.756 80 HD3 ARG 9 HD3 ARG 9 19.979 -7.576 -18.993 81 HE ARG 9 HE ARG 9 18.757 -9.516 -18.843 82 HH11 ARG 9 HH11 ARG 9 21.488 -10.015 -20.943 83 HH12 ARG 9 HH12 ARG 9 21.268 -11.731 -21.036 84 HH21 ARG 9 HH21 ARG 9 18.458 -11.774 -18.957 85 HH22 ARG 9 HH22 ARG 9 19.544 -12.731 -19.906 86 H VAL 10 H VAL 10 18.748 -4.362 -21.835 87 HA VAL 10 HA VAL 10 16.415 -4.050 -23.560 88 HB VAL 10 HB VAL 10 15.813 -2.521 -21.853 89 HG11 VAL 10 HG11 VAL 10 18.608 -1.396 -21.987 90 HG12 VAL 10 HG12 VAL 10 17.305 -0.841 -20.934 91 HG13 VAL 10 HG13 VAL 10 17.992 -2.451 -20.716 92 HG21 VAL 10 HG21 VAL 10 17.215 -0.735 -23.813 93 HG22 VAL 10 HG22 VAL 10 15.844 -1.733 -24.298 94 HG23 VAL 10 HG23 VAL 10 15.646 -0.515 -23.039 95 H ARG 11 H ARG 11 17.159 -3.996 -25.567 96 HA ARG 11 HA ARG 11 18.512 -3.683 -27.371 97 HB2 ARG 11 HB2 ARG 11 19.421 -1.238 -25.843 98 HB3 ARG 11 HB3 ARG 11 19.584 -1.506 -27.573 99 HG2 ARG 11 HG2 ARG 11 17.230 -1.370 -27.895 100 HG3 ARG 11 HG3 ARG 11 16.936 -1.377 -26.155 101 HD2 ARG 11 HD2 ARG 11 16.715 0.867 -26.757 102 HD3 ARG 11 HD3 ARG 11 18.348 0.758 -26.102 103 HE ARG 11 HE ARG 11 18.488 0.351 -28.862 104 HH11 ARG 11 HH11 ARG 11 17.708 2.879 -26.599 105 HH12 ARG 11 HH12 ARG 11 18.207 4.158 -27.656 106 HH21 ARG 11 HH21 ARG 11 19.148 2.026 -30.262 107 HH22 ARG 11 HH22 ARG 11 19.025 3.672 -29.740 108 H GLY 12 H GLY 12 19.523 -5.362 -25.286 109 HA2 GLY 12 HA2 GLY 12 21.475 -6.572 -25.013 110 HA3 GLY 12 HA3 GLY 12 22.280 -5.448 -26.098 111 H VAL 13 H VAL 13 20.632 -3.892 -23.585 112 HA VAL 13 HA VAL 13 23.111 -3.699 -22.002 113 HB VAL 13 HB VAL 13 21.237 -1.390 -22.044 114 HG11 VAL 13 HG11 VAL 13 24.177 -1.842 -21.688 115 HG12 VAL 13 HG12 VAL 13 23.539 -0.231 -22.023 116 HG13 VAL 13 HG13 VAL 13 23.022 -1.102 -20.579 117 HG21 VAL 13 HG21 VAL 13 23.149 -2.033 -24.284 118 HG22 VAL 13 HG22 VAL 13 21.400 -1.843 -24.400 119 HG23 VAL 13 HG23 VAL 13 22.415 -0.451 -24.022 120 H LEU 14 H LEU 14 22.902 -4.193 -19.919 121 HA LEU 14 HA LEU 14 20.331 -4.889 -18.848 122 HB2 LEU 14 HB2 LEU 14 22.775 -5.844 -18.402 123 HB3 LEU 14 HB3 LEU 14 22.713 -4.667 -17.092 124 HG LEU 14 HG LEU 14 21.192 -7.201 -17.450 125 HD11 LEU 14 HD11 LEU 14 22.556 -7.700 -15.769 126 HD12 LEU 14 HD12 LEU 14 21.603 -6.604 -14.769 127 HD13 LEU 14 HD13 LEU 14 23.054 -6.019 -15.583 128 HD21 LEU 14 HD21 LEU 14 19.555 -6.425 -15.751 129 HD22 LEU 14 HD22 LEU 14 19.394 -5.614 -17.309 130 HD23 LEU 14 HD23 LEU 14 20.173 -4.786 -15.959 131 H VAL 15 H VAL 15 19.001 -3.646 -17.706 132 HA VAL 15 HA VAL 15 20.063 -1.147 -16.555 133 HB VAL 15 HB VAL 15 17.760 -0.203 -16.891 134 HG11 VAL 15 HG11 VAL 15 18.085 0.264 -19.283 135 HG12 VAL 15 HG12 VAL 15 19.590 0.397 -18.370 136 HG13 VAL 15 HG13 VAL 15 19.281 -1.029 -19.362 137 HG21 VAL 15 HG21 VAL 15 17.397 -2.565 -18.730 138 HG22 VAL 15 HG22 VAL 15 16.635 -2.408 -17.147 139 HG23 VAL 15 HG23 VAL 15 16.247 -1.262 -18.430 140 H ARG 16 H ARG 16 18.770 -0.296 -14.726 141 HA ARG 16 HA ARG 16 17.695 -2.504 -13.096 142 HB2 ARG 16 HB2 ARG 16 19.603 -1.870 -11.945 143 HB3 ARG 16 HB3 ARG 16 19.448 -0.181 -12.410 144 HG2 ARG 16 HG2 ARG 16 17.582 0.085 -10.867 145 HG3 ARG 16 HG3 ARG 16 17.708 -1.615 -10.414 146 HD2 ARG 16 HD2 ARG 16 20.143 0.070 -10.186 147 HD3 ARG 16 HD3 ARG 16 18.860 0.315 -9.002 148 HE ARG 16 HE ARG 16 19.626 -2.438 -9.370 149 HH11 ARG 16 HH11 ARG 16 20.229 0.518 -7.632 150 HH12 ARG 16 HH12 ARG 16 20.957 -0.276 -6.275 151 HH21 ARG 16 HH21 ARG 16 20.584 -3.494 -7.589 152 HH22 ARG 16 HH22 ARG 16 21.160 -2.558 -6.252 153 H TYR 17 H TYR 17 15.689 -2.312 -12.304 154 HA TYR 17 HA TYR 17 14.446 0.271 -11.938 155 HB2 TYR 17 HB2 TYR 17 12.702 0.058 -13.503 156 HB3 TYR 17 HB3 TYR 17 14.146 -0.399 -14.398 157 HD1 TYR 17 HD1 TYR 17 14.649 -3.117 -13.867 158 HD2 TYR 17 HD2 TYR 17 10.873 -1.177 -14.154 159 HE1 TYR 17 HE1 TYR 17 13.601 -5.258 -14.472 160 HE2 TYR 17 HE2 TYR 17 9.815 -3.313 -14.759 161 HH TYR 17 HH TYR 17 10.976 -5.669 -15.946 162 H ARG 18 H ARG 18 12.364 0.122 -10.866 163 HA ARG 18 HA ARG 18 12.133 -2.366 -9.314 164 HB2 ARG 18 HB2 ARG 18 10.844 -0.878 -7.699 165 HB3 ARG 18 HB3 ARG 18 12.572 -0.581 -7.835 166 HG2 ARG 18 HG2 ARG 18 10.921 1.003 -9.664 167 HG3 ARG 18 HG3 ARG 18 10.651 1.329 -7.951 168 HD2 ARG 18 HD2 ARG 18 12.526 2.584 -9.335 169 HD3 ARG 18 HD3 ARG 18 12.748 2.162 -7.637 170 HE ARG 18 HE ARG 18 13.665 0.180 -9.534 171 HH11 ARG 18 HH11 ARG 18 14.481 2.949 -7.588 172 HH12 ARG 18 HH12 ARG 18 16.178 2.602 -7.574 173 HH21 ARG 18 HH21 ARG 18 15.898 -0.287 -9.522 174 HH22 ARG 18 HH22 ARG 18 16.984 0.762 -8.675 175 H ARG 19 H ARG 19 9.688 -2.309 -8.305 176 HA ARG 19 HA ARG 19 7.747 -1.775 -10.406 177 HB2 ARG 19 HB2 ARG 19 8.371 -3.973 -11.051 178 HB3 ARG 19 HB3 ARG 19 8.396 -4.534 -9.384 179 HG2 ARG 19 HG2 ARG 19 6.138 -4.797 -9.289 180 HG3 ARG 19 HG3 ARG 19 5.828 -3.510 -10.456 181 HD2 ARG 19 HD2 ARG 19 5.308 -5.346 -11.721 182 HD3 ARG 19 HD3 ARG 19 7.019 -5.168 -12.110 183 HE ARG 19 HE ARG 19 6.979 -6.845 -9.957 184 HH11 ARG 19 HH11 ARG 19 5.500 -6.847 -13.109 185 HH12 ARG 19 HH12 ARG 19 5.469 -8.575 -13.237 186 HH21 ARG 19 HH21 ARG 19 6.944 -9.120 -10.114 187 HH22 ARG 19 HH22 ARG 19 6.289 -9.867 -11.532 188 H CYS 20 H CYS 20 6.281 -0.616 -9.345 189 HA CYS 20 HA CYS 20 5.521 -1.453 -6.625 190 HB2 CYS 20 HB2 CYS 20 5.039 1.259 -7.859 191 HB3 CYS 20 HB3 CYS 20 4.910 0.810 -6.162 192 H TRP 21 H TRP 21 3.505 -2.128 -6.254 193 HA TRP 21 HA TRP 21 1.518 -1.762 -8.400 194 HB2 TRP 21 HB2 TRP 21 0.482 -3.878 -7.529 195 HB3 TRP 21 HB3 TRP 21 2.083 -4.089 -8.233 196 HD1 TRP 21 HD1 TRP 21 0.311 -4.044 -4.819 197 HE1 TRP 21 HE1 TRP 21 1.786 -5.301 -3.125 198 HE3 TRP 21 HE3 TRP 21 4.430 -4.819 -7.747 199 HZ2 TRP 21 HZ2 TRP 21 4.356 -6.467 -3.041 200 HZ3 TRP 21 HZ3 TRP 21 6.354 -6.013 -6.784 201 HH2 TRP 21 HH2 TRP 21 6.316 -6.818 -4.479 Start of MODEL 18 1 H ARG 1 H ARG 1 1.875 -0.017 1.096 2 HA ARG 1 HA ARG 1 1.477 -0.422 -1.796 3 HB2 ARG 1 HB2 ARG 1 3.296 1.254 -2.146 4 HB3 ARG 1 HB3 ARG 1 1.829 1.926 -1.445 5 HG2 ARG 1 HG2 ARG 1 4.007 1.046 0.379 6 HG3 ARG 1 HG3 ARG 1 4.196 2.557 -0.513 7 HD2 ARG 1 HD2 ARG 1 1.748 2.981 0.376 8 HD3 ARG 1 HD3 ARG 1 2.247 1.831 1.616 9 HE ARG 1 HE ARG 1 4.274 3.679 1.472 10 HH11 ARG 1 HH11 ARG 1 0.854 3.746 2.120 11 HH12 ARG 1 HH12 ARG 1 0.947 5.121 3.169 12 HH21 ARG 1 HH21 ARG 1 4.410 5.491 2.851 13 HH22 ARG 1 HH22 ARG 1 2.970 6.114 3.583 14 H TRP 2 H TRP 2 3.378 -1.162 -2.965 15 HA TRP 2 HA TRP 2 5.525 -2.321 -1.384 16 HB2 TRP 2 HB2 TRP 2 3.608 -4.001 -1.523 17 HB3 TRP 2 HB3 TRP 2 3.954 -4.098 -3.247 18 HD1 TRP 2 HD1 TRP 2 6.469 -5.036 -3.904 19 HE1 TRP 2 HE1 TRP 2 7.928 -6.775 -2.692 20 HE3 TRP 2 HE3 TRP 2 4.210 -4.936 0.681 21 HZ2 TRP 2 HZ2 TRP 2 8.099 -7.950 -0.131 22 HZ3 TRP 2 HZ3 TRP 2 5.082 -6.399 2.457 23 HH2 TRP 2 HH2 TRP 2 6.986 -7.874 2.057 24 H CYS 3 H CYS 3 7.416 -2.264 -2.443 25 HA CYS 3 HA CYS 3 7.372 -1.955 -5.368 26 HB2 CYS 3 HB2 CYS 3 8.984 -0.337 -3.387 27 HB3 CYS 3 HB3 CYS 3 9.274 -0.336 -5.124 28 H VAL 4 H VAL 4 8.684 -3.309 -6.406 29 HA VAL 4 HA VAL 4 10.837 -4.614 -4.871 30 HB VAL 4 HB VAL 4 10.503 -6.523 -6.563 31 HG11 VAL 4 HG11 VAL 4 9.126 -7.654 -5.073 32 HG12 VAL 4 HG12 VAL 4 9.828 -6.379 -4.074 33 HG13 VAL 4 HG13 VAL 4 8.185 -6.212 -4.694 34 HG21 VAL 4 HG21 VAL 4 7.844 -5.124 -6.837 35 HG22 VAL 4 HG22 VAL 4 9.047 -5.338 -8.109 36 HG23 VAL 4 HG23 VAL 4 8.216 -6.740 -7.437 37 H TYR 5 H TYR 5 12.835 -4.495 -5.684 38 HA TYR 5 HA TYR 5 13.208 -3.108 -8.220 39 HB2 TYR 5 HB2 TYR 5 15.183 -3.886 -6.066 40 HB3 TYR 5 HB3 TYR 5 15.589 -2.979 -7.518 41 HD1 TYR 5 HD1 TYR 5 14.108 -2.835 -4.205 42 HD2 TYR 5 HD2 TYR 5 14.734 -0.677 -7.818 43 HE1 TYR 5 HE1 TYR 5 13.543 -0.741 -3.045 44 HE2 TYR 5 HE2 TYR 5 14.172 1.423 -6.668 45 HH TYR 5 HH TYR 5 13.067 2.235 -4.754 46 H ALA 6 H ALA 6 14.174 -3.967 -9.999 47 HA ALA 6 HA ALA 6 15.441 -6.565 -9.909 48 HB1 ALA 6 HB1 ALA 6 13.798 -7.833 -10.706 49 HB2 ALA 6 HB2 ALA 6 12.703 -6.488 -10.382 50 HB3 ALA 6 HB3 ALA 6 13.428 -6.669 -11.979 51 H TYR 7 H TYR 7 16.268 -7.208 -12.080 52 HA TYR 7 HA TYR 7 17.048 -4.803 -13.579 53 HB2 TYR 7 HB2 TYR 7 18.403 -7.399 -12.991 54 HB3 TYR 7 HB3 TYR 7 18.812 -6.558 -14.482 55 HD1 TYR 7 HD1 TYR 7 20.976 -5.764 -14.119 56 HD2 TYR 7 HD2 TYR 7 18.007 -5.132 -11.138 57 HE1 TYR 7 HE1 TYR 7 22.535 -4.321 -12.881 58 HE2 TYR 7 HE2 TYR 7 19.558 -3.686 -9.892 59 HH TYR 7 HH TYR 7 21.520 -2.402 -10.189 60 H ARG 8 H ARG 8 17.338 -5.037 -15.921 61 HA ARG 8 HA ARG 8 15.924 -7.194 -17.234 62 HB2 ARG 8 HB2 ARG 8 14.412 -5.620 -18.456 63 HB3 ARG 8 HB3 ARG 8 14.050 -5.782 -16.742 64 HG2 ARG 8 HG2 ARG 8 13.912 -3.528 -16.931 65 HG3 ARG 8 HG3 ARG 8 15.636 -3.670 -16.583 66 HD2 ARG 8 HD2 ARG 8 15.191 -2.148 -18.459 67 HD3 ARG 8 HD3 ARG 8 16.153 -3.542 -18.947 68 HE ARG 8 HE ARG 8 14.455 -4.174 -20.341 69 HH11 ARG 8 HH11 ARG 8 13.230 -1.868 -18.038 70 HH12 ARG 8 HH12 ARG 8 11.685 -1.723 -18.809 71 HH21 ARG 8 HH21 ARG 8 12.424 -3.992 -21.364 72 HH22 ARG 8 HH22 ARG 8 11.227 -2.933 -20.700 73 H ARG 9 H ARG 9 16.321 -7.301 -19.479 74 HA ARG 9 HA ARG 9 18.706 -5.813 -20.292 75 HB2 ARG 9 HB2 ARG 9 17.821 -8.501 -20.633 76 HB3 ARG 9 HB3 ARG 9 17.959 -7.768 -22.226 77 HG2 ARG 9 HG2 ARG 9 20.059 -8.662 -21.892 78 HG3 ARG 9 HG3 ARG 9 20.277 -6.979 -21.407 79 HD2 ARG 9 HD2 ARG 9 21.317 -8.572 -19.835 80 HD3 ARG 9 HD3 ARG 9 20.071 -7.580 -19.079 81 HE ARG 9 HE ARG 9 18.809 -9.469 -18.735 82 HH11 ARG 9 HH11 ARG 9 21.430 -10.191 -20.910 83 HH12 ARG 9 HH12 ARG 9 21.167 -11.903 -20.866 84 HH21 ARG 9 HH21 ARG 9 18.453 -11.721 -18.669 85 HH22 ARG 9 HH22 ARG 9 19.473 -12.772 -19.592 86 H VAL 10 H VAL 10 18.775 -4.489 -22.044 87 HA VAL 10 HA VAL 10 16.465 -4.316 -23.817 88 HB VAL 10 HB VAL 10 15.786 -2.711 -22.218 89 HG11 VAL 10 HG11 VAL 10 17.371 -2.062 -20.773 90 HG12 VAL 10 HG12 VAL 10 18.661 -2.230 -21.965 91 HG13 VAL 10 HG13 VAL 10 17.680 -0.765 -21.926 92 HG21 VAL 10 HG21 VAL 10 17.084 -0.724 -23.933 93 HG22 VAL 10 HG22 VAL 10 16.283 -2.026 -24.813 94 HG23 VAL 10 HG23 VAL 10 15.371 -1.047 -23.665 95 H ARG 11 H ARG 11 17.422 -4.619 -25.725 96 HA ARG 11 HA ARG 11 18.795 -4.353 -27.519 97 HB2 ARG 11 HB2 ARG 11 19.380 -1.679 -26.232 98 HB3 ARG 11 HB3 ARG 11 19.758 -2.121 -27.892 99 HG2 ARG 11 HG2 ARG 11 17.337 -2.438 -28.310 100 HG3 ARG 11 HG3 ARG 11 17.019 -1.851 -26.676 101 HD2 ARG 11 HD2 ARG 11 18.617 -0.245 -28.644 102 HD3 ARG 11 HD3 ARG 11 16.855 -0.179 -28.615 103 HE ARG 11 HE ARG 11 17.803 0.253 -26.017 104 HH11 ARG 11 HH11 ARG 11 17.790 1.806 -29.132 105 HH12 ARG 11 HH12 ARG 11 17.857 3.409 -28.479 106 HH21 ARG 11 HH21 ARG 11 17.893 2.358 -25.144 107 HH22 ARG 11 HH22 ARG 11 17.917 3.722 -26.210 108 H GLY 12 H GLY 12 19.868 -5.898 -25.558 109 HA2 GLY 12 HA2 GLY 12 21.898 -6.870 -25.060 110 HA3 GLY 12 HA3 GLY 12 22.663 -5.678 -26.101 111 H VAL 13 H VAL 13 20.765 -4.089 -23.881 112 HA VAL 13 HA VAL 13 23.107 -3.573 -22.174 113 HB VAL 13 HB VAL 13 20.705 -1.778 -22.305 114 HG11 VAL 13 HG11 VAL 13 22.714 -0.128 -21.929 115 HG12 VAL 13 HG12 VAL 13 22.041 -1.054 -20.586 116 HG13 VAL 13 HG13 VAL 13 23.527 -1.589 -21.370 117 HG21 VAL 13 HG21 VAL 13 21.385 -2.066 -24.611 118 HG22 VAL 13 HG22 VAL 13 21.860 -0.465 -24.045 119 HG23 VAL 13 HG23 VAL 13 23.065 -1.744 -24.184 120 H LEU 14 H LEU 14 22.591 -2.965 -19.896 121 HA LEU 14 HA LEU 14 20.228 -4.377 -18.865 122 HB2 LEU 14 HB2 LEU 14 22.079 -5.883 -18.587 123 HB3 LEU 14 HB3 LEU 14 23.062 -4.608 -17.871 124 HG LEU 14 HG LEU 14 21.762 -4.626 -15.871 125 HD11 LEU 14 HD11 LEU 14 19.772 -5.842 -17.585 126 HD12 LEU 14 HD12 LEU 14 19.579 -5.008 -16.043 127 HD13 LEU 14 HD13 LEU 14 19.970 -6.727 -16.072 128 HD21 LEU 14 HD21 LEU 14 23.320 -6.277 -15.592 129 HD22 LEU 14 HD22 LEU 14 22.699 -7.245 -16.928 130 HD23 LEU 14 HD23 LEU 14 21.840 -7.214 -15.388 131 H VAL 15 H VAL 15 19.066 -3.180 -17.512 132 HA VAL 15 HA VAL 15 20.396 -0.972 -16.084 133 HB VAL 15 HB VAL 15 18.111 0.206 -16.291 134 HG11 VAL 15 HG11 VAL 15 20.252 -0.053 -18.327 135 HG12 VAL 15 HG12 VAL 15 18.796 0.836 -18.779 136 HG13 VAL 15 HG13 VAL 15 19.746 1.349 -17.385 137 HG21 VAL 15 HG21 VAL 15 17.909 -1.730 -18.596 138 HG22 VAL 15 HG22 VAL 15 16.863 -1.689 -17.177 139 HG23 VAL 15 HG23 VAL 15 16.849 -0.347 -18.321 140 H ARG 16 H ARG 16 18.874 -0.115 -14.291 141 HA ARG 16 HA ARG 16 17.729 -2.440 -12.890 142 HB2 ARG 16 HB2 ARG 16 19.676 -1.709 -11.714 143 HB3 ARG 16 HB3 ARG 16 19.182 -0.024 -11.818 144 HG2 ARG 16 HG2 ARG 16 17.089 -0.956 -10.477 145 HG3 ARG 16 HG3 ARG 16 18.279 -2.160 -9.979 146 HD2 ARG 16 HD2 ARG 16 18.161 -0.250 -8.428 147 HD3 ARG 16 HD3 ARG 16 19.752 -0.424 -9.168 148 HE ARG 16 HE ARG 16 18.108 1.379 -10.632 149 HH11 ARG 16 HH11 ARG 16 20.081 1.100 -7.777 150 HH12 ARG 16 HH12 ARG 16 20.455 2.791 -7.712 151 HH21 ARG 16 HH21 ARG 16 18.593 3.606 -10.557 152 HH22 ARG 16 HH22 ARG 16 19.607 4.216 -9.294 153 H TYR 17 H TYR 17 15.631 -2.366 -12.437 154 HA TYR 17 HA TYR 17 14.315 0.238 -12.143 155 HB2 TYR 17 HB2 TYR 17 12.540 -0.312 -13.622 156 HB3 TYR 17 HB3 TYR 17 14.025 -0.686 -14.490 157 HD1 TYR 17 HD1 TYR 17 14.827 -3.157 -14.380 158 HD2 TYR 17 HD2 TYR 17 10.860 -1.911 -13.477 159 HE1 TYR 17 HE1 TYR 17 14.023 -5.447 -14.778 160 HE2 TYR 17 HE2 TYR 17 10.046 -4.198 -13.872 161 HH TYR 17 HH TYR 17 12.242 -6.772 -14.941 162 H ARG 18 H ARG 18 11.777 -0.471 -11.689 163 HA ARG 18 HA ARG 18 11.603 -2.711 -9.879 164 HB2 ARG 18 HB2 ARG 18 11.192 -1.520 -7.875 165 HB3 ARG 18 HB3 ARG 18 12.656 -0.821 -8.553 166 HG2 ARG 18 HG2 ARG 18 9.895 0.353 -8.806 167 HG3 ARG 18 HG3 ARG 18 11.127 0.873 -7.655 168 HD2 ARG 18 HD2 ARG 18 11.116 1.127 -10.645 169 HD3 ARG 18 HD3 ARG 18 11.294 2.392 -9.430 170 HE ARG 18 HE ARG 18 13.390 0.369 -9.604 171 HH11 ARG 18 HH11 ARG 18 12.317 3.617 -10.248 172 HH12 ARG 18 HH12 ARG 18 13.915 4.232 -10.511 173 HH21 ARG 18 HH21 ARG 18 15.499 1.167 -9.948 174 HH22 ARG 18 HH22 ARG 18 15.724 2.837 -10.341 175 H ARG 19 H ARG 19 9.359 -2.621 -8.733 176 HA ARG 19 HA ARG 19 7.363 -1.418 -10.522 177 HB2 ARG 19 HB2 ARG 19 7.604 -3.742 -11.205 178 HB3 ARG 19 HB3 ARG 19 7.379 -4.278 -9.545 179 HG2 ARG 19 HG2 ARG 19 5.275 -4.620 -10.291 180 HG3 ARG 19 HG3 ARG 19 5.108 -2.923 -9.838 181 HD2 ARG 19 HD2 ARG 19 5.621 -2.283 -12.164 182 HD3 ARG 19 HD3 ARG 19 5.703 -3.991 -12.595 183 HE ARG 19 HE ARG 19 3.220 -3.327 -11.366 184 HH11 ARG 19 HH11 ARG 19 4.988 -3.164 -14.360 185 HH12 ARG 19 HH12 ARG 19 3.566 -3.143 -15.350 186 HH21 ARG 19 HH21 ARG 19 1.341 -3.300 -12.657 187 HH22 ARG 19 HH22 ARG 19 1.492 -3.219 -14.380 188 H CYS 20 H CYS 20 5.899 -0.285 -9.440 189 HA CYS 20 HA CYS 20 5.459 -0.920 -6.595 190 HB2 CYS 20 HB2 CYS 20 5.435 1.753 -8.006 191 HB3 CYS 20 HB3 CYS 20 4.856 1.516 -6.360 192 H TRP 21 H TRP 21 3.525 -1.753 -6.223 193 HA TRP 21 HA TRP 21 1.251 -0.809 -7.842 194 HB2 TRP 21 HB2 TRP 21 0.276 -3.066 -7.663 195 HB3 TRP 21 HB3 TRP 21 1.830 -3.091 -8.492 196 HD1 TRP 21 HD1 TRP 21 0.191 -4.130 -5.181 197 HE1 TRP 21 HE1 TRP 21 1.699 -5.873 -4.036 198 HE3 TRP 21 HE3 TRP 21 4.210 -3.921 -8.333 199 HZ2 TRP 21 HZ2 TRP 21 4.255 -7.009 -4.419 200 HZ3 TRP 21 HZ3 TRP 21 6.146 -5.368 -7.873 201 HH2 TRP 21 HH2 TRP 21 6.166 -6.879 -5.955 Start of MODEL 19 1 H ARG 1 H ARG 1 2.028 0.480 1.474 2 HA ARG 1 HA ARG 1 1.676 -0.337 -1.301 3 HB2 ARG 1 HB2 ARG 1 3.681 1.594 -0.122 4 HB3 ARG 1 HB3 ARG 1 3.311 1.377 -1.828 5 HG2 ARG 1 HG2 ARG 1 1.390 2.393 0.257 6 HG3 ARG 1 HG3 ARG 1 2.274 3.389 -0.900 7 HD2 ARG 1 HD2 ARG 1 1.172 2.144 -2.739 8 HD3 ARG 1 HD3 ARG 1 0.225 1.269 -1.535 9 HE ARG 1 HE ARG 1 -0.296 3.853 -0.953 10 HH11 ARG 1 HH11 ARG 1 -0.417 2.008 -3.903 11 HH12 ARG 1 HH12 ARG 1 -1.701 2.947 -4.591 12 HH21 ARG 1 HH21 ARG 1 -1.986 5.097 -1.848 13 HH22 ARG 1 HH22 ARG 1 -2.591 4.704 -3.422 14 H TRP 2 H TRP 2 3.400 -1.208 -2.559 15 HA TRP 2 HA TRP 2 5.671 -2.329 -1.109 16 HB2 TRP 2 HB2 TRP 2 3.745 -3.995 -1.101 17 HB3 TRP 2 HB3 TRP 2 3.955 -4.102 -2.847 18 HD1 TRP 2 HD1 TRP 2 6.485 -4.976 -3.658 19 HE1 TRP 2 HE1 TRP 2 7.985 -6.760 -2.567 20 HE3 TRP 2 HE3 TRP 2 4.395 -5.052 1.007 21 HZ2 TRP 2 HZ2 TRP 2 8.248 -8.032 -0.060 22 HZ3 TRP 2 HZ3 TRP 2 5.329 -6.582 2.693 23 HH2 TRP 2 HH2 TRP 2 7.215 -8.040 2.168 24 H CYS 3 H CYS 3 7.493 -2.438 -2.311 25 HA CYS 3 HA CYS 3 7.267 -2.112 -5.221 26 HB2 CYS 3 HB2 CYS 3 9.123 -0.530 -3.430 27 HB3 CYS 3 HB3 CYS 3 9.106 -0.473 -5.190 28 H VAL 4 H VAL 4 8.640 -3.335 -6.384 29 HA VAL 4 HA VAL 4 10.803 -4.722 -4.938 30 HB VAL 4 HB VAL 4 10.365 -6.592 -6.681 31 HG11 VAL 4 HG11 VAL 4 10.076 -6.995 -4.352 32 HG12 VAL 4 HG12 VAL 4 8.578 -6.063 -4.315 33 HG13 VAL 4 HG13 VAL 4 8.638 -7.604 -5.171 34 HG21 VAL 4 HG21 VAL 4 7.678 -5.221 -6.655 35 HG22 VAL 4 HG22 VAL 4 8.763 -5.351 -8.039 36 HG23 VAL 4 HG23 VAL 4 8.021 -6.800 -7.362 37 H TYR 5 H TYR 5 12.764 -4.612 -5.838 38 HA TYR 5 HA TYR 5 13.042 -3.186 -8.362 39 HB2 TYR 5 HB2 TYR 5 15.077 -4.040 -6.296 40 HB3 TYR 5 HB3 TYR 5 15.473 -3.164 -7.770 41 HD1 TYR 5 HD1 TYR 5 14.491 -0.856 -8.104 42 HD2 TYR 5 HD2 TYR 5 14.323 -2.902 -4.377 43 HE1 TYR 5 HE1 TYR 5 14.051 1.276 -6.961 44 HE2 TYR 5 HE2 TYR 5 13.881 -0.775 -3.223 45 HH TYR 5 HH TYR 5 12.871 1.505 -3.888 46 H ALA 6 H ALA 6 14.035 -3.995 -10.180 47 HA ALA 6 HA ALA 6 15.074 -6.709 -10.177 48 HB1 ALA 6 HB1 ALA 6 12.838 -7.289 -10.566 49 HB2 ALA 6 HB2 ALA 6 12.576 -5.914 -11.640 50 HB3 ALA 6 HB3 ALA 6 13.577 -7.267 -12.168 51 H TYR 7 H TYR 7 15.777 -7.304 -12.496 52 HA TYR 7 HA TYR 7 16.829 -4.898 -13.833 53 HB2 TYR 7 HB2 TYR 7 18.222 -7.429 -13.037 54 HB3 TYR 7 HB3 TYR 7 18.779 -6.536 -14.448 55 HD1 TYR 7 HD1 TYR 7 18.614 -6.620 -10.820 56 HD2 TYR 7 HD2 TYR 7 19.670 -4.244 -14.187 57 HE1 TYR 7 HE1 TYR 7 19.906 -5.127 -9.353 58 HE2 TYR 7 HE2 TYR 7 20.966 -2.745 -12.730 59 HH TYR 7 HH TYR 7 21.830 -2.473 -10.670 60 H ARG 8 H ARG 8 16.916 -4.915 -16.062 61 HA ARG 8 HA ARG 8 15.951 -7.298 -17.462 62 HB2 ARG 8 HB2 ARG 8 14.227 -6.175 -18.612 63 HB3 ARG 8 HB3 ARG 8 14.041 -5.695 -16.930 64 HG2 ARG 8 HG2 ARG 8 15.630 -3.712 -17.799 65 HG3 ARG 8 HG3 ARG 8 14.770 -4.094 -19.291 66 HD2 ARG 8 HD2 ARG 8 12.642 -3.977 -17.878 67 HD3 ARG 8 HD3 ARG 8 13.646 -3.199 -16.655 68 HE ARG 8 HE ARG 8 14.086 -1.825 -19.011 69 HH11 ARG 8 HH11 ARG 8 11.391 -2.515 -16.917 70 HH12 ARG 8 HH12 ARG 8 10.553 -1.046 -17.297 71 HH21 ARG 8 HH21 ARG 8 12.992 0.111 -19.518 72 HH22 ARG 8 HH22 ARG 8 11.464 0.446 -18.777 73 H ARG 9 H ARG 9 16.713 -7.530 -19.540 74 HA ARG 9 HA ARG 9 18.965 -5.826 -20.233 75 HB2 ARG 9 HB2 ARG 9 18.306 -8.570 -20.599 76 HB3 ARG 9 HB3 ARG 9 18.509 -7.850 -22.191 77 HG2 ARG 9 HG2 ARG 9 20.630 -8.626 -21.643 78 HG3 ARG 9 HG3 ARG 9 20.701 -6.901 -21.277 79 HD2 ARG 9 HD2 ARG 9 21.731 -8.297 -19.521 80 HD3 ARG 9 HD3 ARG 9 20.373 -7.342 -18.928 81 HE ARG 9 HE ARG 9 19.217 -9.285 -18.519 82 HH11 ARG 9 HH11 ARG 9 22.022 -9.979 -20.461 83 HH12 ARG 9 HH12 ARG 9 21.869 -11.698 -20.302 84 HH21 ARG 9 HH21 ARG 9 19.004 -11.546 -18.303 85 HH22 ARG 9 HH22 ARG 9 20.151 -12.588 -19.075 86 H VAL 10 H VAL 10 19.144 -4.617 -22.091 87 HA VAL 10 HA VAL 10 16.920 -4.563 -23.976 88 HB VAL 10 HB VAL 10 16.132 -2.904 -22.490 89 HG11 VAL 10 HG11 VAL 10 18.968 -2.402 -22.065 90 HG12 VAL 10 HG12 VAL 10 18.021 -0.921 -22.216 91 HG13 VAL 10 HG13 VAL 10 17.595 -2.121 -20.995 92 HG21 VAL 10 HG21 VAL 10 17.491 -0.971 -24.221 93 HG22 VAL 10 HG22 VAL 10 16.749 -2.320 -25.081 94 HG23 VAL 10 HG23 VAL 10 15.771 -1.304 -24.022 95 H ARG 11 H ARG 11 17.900 -4.827 -25.868 96 HA ARG 11 HA ARG 11 19.407 -4.678 -27.569 97 HB2 ARG 11 HB2 ARG 11 19.825 -1.894 -26.466 98 HB3 ARG 11 HB3 ARG 11 20.227 -2.440 -28.089 99 HG2 ARG 11 HG2 ARG 11 17.418 -2.737 -27.178 100 HG3 ARG 11 HG3 ARG 11 18.005 -1.119 -27.570 101 HD2 ARG 11 HD2 ARG 11 18.414 -3.425 -29.443 102 HD3 ARG 11 HD3 ARG 11 16.908 -2.508 -29.436 103 HE ARG 11 HE ARG 11 19.227 -0.841 -29.641 104 HH11 ARG 11 HH11 ARG 11 16.997 -2.829 -31.429 105 HH12 ARG 11 HH12 ARG 11 17.256 -2.000 -32.927 106 HH21 ARG 11 HH21 ARG 11 19.577 0.259 -31.608 107 HH22 ARG 11 HH22 ARG 11 18.725 -0.244 -33.029 108 H GLY 12 H GLY 12 20.473 -6.058 -25.525 109 HA2 GLY 12 HA2 GLY 12 22.522 -6.864 -24.851 110 HA3 GLY 12 HA3 GLY 12 23.272 -5.679 -25.912 111 H VAL 13 H VAL 13 21.152 -4.118 -23.873 112 HA VAL 13 HA VAL 13 23.363 -3.341 -22.095 113 HB VAL 13 HB VAL 13 20.818 -1.780 -22.445 114 HG11 VAL 13 HG11 VAL 13 22.702 0.040 -21.990 115 HG12 VAL 13 HG12 VAL 13 21.886 -0.818 -20.682 116 HG13 VAL 13 HG13 VAL 13 23.482 -1.341 -21.221 117 HG21 VAL 13 HG21 VAL 13 22.691 -0.461 -23.960 118 HG22 VAL 13 HG22 VAL 13 22.976 -2.152 -24.372 119 HG23 VAL 13 HG23 VAL 13 21.372 -1.450 -24.588 120 H LEU 14 H LEU 14 22.698 -2.678 -19.868 121 HA LEU 14 HA LEU 14 20.457 -4.298 -18.864 122 HB2 LEU 14 HB2 LEU 14 22.958 -5.107 -18.517 123 HB3 LEU 14 HB3 LEU 14 22.882 -3.963 -17.179 124 HG LEU 14 HG LEU 14 21.549 -6.592 -17.516 125 HD11 LEU 14 HD11 LEU 14 21.890 -6.183 -14.880 126 HD12 LEU 14 HD12 LEU 14 23.147 -5.127 -15.522 127 HD13 LEU 14 HD13 LEU 14 23.138 -6.840 -15.939 128 HD21 LEU 14 HD21 LEU 14 19.605 -5.214 -17.369 129 HD22 LEU 14 HD22 LEU 14 20.315 -4.255 -16.070 130 HD23 LEU 14 HD23 LEU 14 19.871 -5.939 -15.783 131 H VAL 15 H VAL 15 19.034 -3.107 -17.797 132 HA VAL 15 HA VAL 15 19.978 -0.676 -16.420 133 HB VAL 15 HB VAL 15 17.653 0.239 -16.855 134 HG11 VAL 15 HG11 VAL 15 19.615 1.049 -18.045 135 HG12 VAL 15 HG12 VAL 15 19.454 -0.252 -19.226 136 HG13 VAL 15 HG13 VAL 15 18.216 1.000 -19.116 137 HG21 VAL 15 HG21 VAL 15 17.618 -2.060 -18.807 138 HG22 VAL 15 HG22 VAL 15 16.513 -1.795 -17.457 139 HG23 VAL 15 HG23 VAL 15 16.494 -0.701 -18.841 140 H ARG 16 H ARG 16 18.445 0.061 -14.685 141 HA ARG 16 HA ARG 16 17.422 -2.284 -13.227 142 HB2 ARG 16 HB2 ARG 16 19.162 -1.386 -11.935 143 HB3 ARG 16 HB3 ARG 16 18.700 0.271 -12.299 144 HG2 ARG 16 HG2 ARG 16 16.668 -0.028 -10.934 145 HG3 ARG 16 HG3 ARG 16 17.221 -1.651 -10.516 146 HD2 ARG 16 HD2 ARG 16 19.080 0.623 -10.067 147 HD3 ARG 16 HD3 ARG 16 17.713 0.442 -8.969 148 HE ARG 16 HE ARG 16 20.010 -1.311 -9.206 149 HH11 ARG 16 HH11 ARG 16 16.794 -0.843 -7.957 150 HH12 ARG 16 HH12 ARG 16 16.955 -2.054 -6.728 151 HH21 ARG 16 HH21 ARG 16 20.233 -2.908 -7.592 152 HH22 ARG 16 HH22 ARG 16 18.911 -3.227 -6.521 153 H TYR 17 H TYR 17 15.410 -2.211 -12.266 154 HA TYR 17 HA TYR 17 13.812 0.195 -12.370 155 HB2 TYR 17 HB2 TYR 17 12.109 -0.605 -13.825 156 HB3 TYR 17 HB3 TYR 17 13.633 -0.872 -14.664 157 HD1 TYR 17 HD1 TYR 17 10.566 -2.300 -13.990 158 HD2 TYR 17 HD2 TYR 17 14.702 -3.296 -14.035 159 HE1 TYR 17 HE1 TYR 17 9.985 -4.674 -14.272 160 HE2 TYR 17 HE2 TYR 17 14.133 -5.672 -14.318 161 HH TYR 17 HH TYR 17 10.973 -6.868 -13.888 162 H ARG 18 H ARG 18 11.386 -0.581 -11.792 163 HA ARG 18 HA ARG 18 11.313 -2.802 -9.955 164 HB2 ARG 18 HB2 ARG 18 10.909 -1.583 -7.952 165 HB3 ARG 18 HB3 ARG 18 12.373 -0.914 -8.660 166 HG2 ARG 18 HG2 ARG 18 9.625 0.294 -8.904 167 HG3 ARG 18 HG3 ARG 18 10.872 0.811 -7.766 168 HD2 ARG 18 HD2 ARG 18 10.868 1.009 -10.763 169 HD3 ARG 18 HD3 ARG 18 11.023 2.304 -9.577 170 HE ARG 18 HE ARG 18 13.135 0.293 -9.673 171 HH11 ARG 18 HH11 ARG 18 12.046 3.512 -10.428 172 HH12 ARG 18 HH12 ARG 18 13.643 4.131 -10.692 173 HH21 ARG 18 HH21 ARG 18 15.242 1.095 -10.018 174 HH22 ARG 18 HH22 ARG 18 15.460 2.755 -10.459 175 H ARG 19 H ARG 19 9.081 -2.333 -8.553 176 HA ARG 19 HA ARG 19 7.019 -1.286 -10.315 177 HB2 ARG 19 HB2 ARG 19 7.250 -3.586 -11.086 178 HB3 ARG 19 HB3 ARG 19 7.082 -4.178 -9.439 179 HG2 ARG 19 HG2 ARG 19 4.830 -3.852 -9.400 180 HG3 ARG 19 HG3 ARG 19 4.894 -2.502 -10.535 181 HD2 ARG 19 HD2 ARG 19 5.197 -3.975 -12.385 182 HD3 ARG 19 HD3 ARG 19 5.439 -5.358 -11.319 183 HE ARG 19 HE ARG 19 2.881 -4.106 -10.984 184 HH11 ARG 19 HH11 ARG 19 4.699 -6.408 -12.859 185 HH12 ARG 19 HH12 ARG 19 3.303 -7.308 -13.350 186 HH21 ARG 19 HH21 ARG 19 1.034 -5.283 -11.623 187 HH22 ARG 19 HH22 ARG 19 1.218 -6.667 -12.647 188 H CYS 20 H CYS 20 5.869 -0.012 -9.032 189 HA CYS 20 HA CYS 20 5.423 -0.844 -6.242 190 HB2 CYS 20 HB2 CYS 20 5.371 1.921 -7.470 191 HB3 CYS 20 HB3 CYS 20 5.003 1.560 -5.786 192 H TRP 21 H TRP 21 3.469 -1.614 -5.839 193 HA TRP 21 HA TRP 21 1.193 -0.554 -7.383 194 HB2 TRP 21 HB2 TRP 21 0.118 -2.726 -7.180 195 HB3 TRP 21 HB3 TRP 21 1.709 -2.917 -7.912 196 HD1 TRP 21 HD1 TRP 21 -0.166 -3.597 -4.626 197 HE1 TRP 21 HE1 TRP 21 1.127 -5.392 -3.310 198 HE3 TRP 21 HE3 TRP 21 3.974 -3.961 -7.603 199 HZ2 TRP 21 HZ2 TRP 21 3.578 -6.779 -3.508 200 HZ3 TRP 21 HZ3 TRP 21 5.747 -5.545 -6.969 201 HH2 TRP 21 HH2 TRP 21 5.551 -6.923 -4.964 Start of MODEL 20 1 H ARG 1 H ARG 1 0.668 0.608 -0.250 2 HA ARG 1 HA ARG 1 1.084 -0.696 -2.737 3 HB2 ARG 1 HB2 ARG 1 2.614 1.577 -1.458 4 HB3 ARG 1 HB3 ARG 1 2.753 1.081 -3.139 5 HG2 ARG 1 HG2 ARG 1 0.219 2.075 -1.853 6 HG3 ARG 1 HG3 ARG 1 1.322 3.064 -2.812 7 HD2 ARG 1 HD2 ARG 1 0.960 1.579 -4.734 8 HD3 ARG 1 HD3 ARG 1 -0.162 0.619 -3.770 9 HE ARG 1 HE ARG 1 -0.683 3.149 -5.028 10 HH11 ARG 1 HH11 ARG 1 -1.603 0.988 -2.458 11 HH12 ARG 1 HH12 ARG 1 -3.213 1.616 -2.330 12 HH21 ARG 1 HH21 ARG 1 -2.800 3.984 -4.869 13 HH22 ARG 1 HH22 ARG 1 -3.893 3.320 -3.702 14 H TRP 2 H TRP 2 3.255 -1.261 -3.593 15 HA TRP 2 HA TRP 2 5.246 -2.090 -1.665 16 HB2 TRP 2 HB2 TRP 2 3.531 -3.951 -1.753 17 HB3 TRP 2 HB3 TRP 2 3.993 -4.192 -3.435 18 HD1 TRP 2 HD1 TRP 2 6.694 -4.847 -3.805 19 HE1 TRP 2 HE1 TRP 2 8.176 -6.368 -2.351 20 HE3 TRP 2 HE3 TRP 2 3.952 -4.770 0.509 21 HZ2 TRP 2 HZ2 TRP 2 8.182 -7.399 0.276 22 HZ3 TRP 2 HZ3 TRP 2 4.765 -6.051 2.446 23 HH2 TRP 2 HH2 TRP 2 6.836 -7.338 2.330 24 H CYS 3 H CYS 3 7.254 -2.117 -2.527 25 HA CYS 3 HA CYS 3 7.483 -1.976 -5.460 26 HB2 CYS 3 HB2 CYS 3 8.913 -0.299 -3.392 27 HB3 CYS 3 HB3 CYS 3 9.410 -0.392 -5.078 28 H VAL 4 H VAL 4 9.192 -3.038 -6.389 29 HA VAL 4 HA VAL 4 11.101 -4.390 -4.617 30 HB VAL 4 HB VAL 4 10.858 -6.418 -6.193 31 HG11 VAL 4 HG11 VAL 4 10.286 -6.598 -3.889 32 HG12 VAL 4 HG12 VAL 4 8.793 -5.688 -4.126 33 HG13 VAL 4 HG13 VAL 4 8.960 -7.304 -4.813 34 HG21 VAL 4 HG21 VAL 4 8.612 -6.728 -7.125 35 HG22 VAL 4 HG22 VAL 4 8.185 -5.089 -6.634 36 HG23 VAL 4 HG23 VAL 4 9.432 -5.347 -7.853 37 H TYR 5 H TYR 5 13.139 -4.375 -5.356 38 HA TYR 5 HA TYR 5 13.677 -3.037 -7.866 39 HB2 TYR 5 HB2 TYR 5 15.593 -4.125 -5.793 40 HB3 TYR 5 HB3 TYR 5 16.019 -3.081 -7.145 41 HD1 TYR 5 HD1 TYR 5 15.265 -0.720 -7.169 42 HD2 TYR 5 HD2 TYR 5 14.636 -3.235 -3.795 43 HE1 TYR 5 HE1 TYR 5 14.839 1.263 -5.778 44 HE2 TYR 5 HE2 TYR 5 14.207 -1.259 -2.395 45 HH TYR 5 HH TYR 5 13.869 1.923 -3.759 46 H ALA 6 H ALA 6 14.529 -3.924 -9.679 47 HA ALA 6 HA ALA 6 15.572 -6.620 -9.687 48 HB1 ALA 6 HB1 ALA 6 13.115 -6.941 -9.820 49 HB2 ALA 6 HB2 ALA 6 13.113 -6.014 -11.321 50 HB3 ALA 6 HB3 ALA 6 13.982 -7.546 -11.232 51 H TYR 7 H TYR 7 15.937 -7.263 -12.140 52 HA TYR 7 HA TYR 7 17.024 -4.882 -13.495 53 HB2 TYR 7 HB2 TYR 7 18.209 -7.557 -12.953 54 HB3 TYR 7 HB3 TYR 7 18.600 -6.794 -14.490 55 HD1 TYR 7 HD1 TYR 7 19.061 -6.688 -10.877 56 HD2 TYR 7 HD2 TYR 7 19.855 -4.683 -14.544 57 HE1 TYR 7 HE1 TYR 7 20.783 -5.335 -9.757 58 HE2 TYR 7 HE2 TYR 7 21.580 -3.325 -13.435 59 HH TYR 7 HH TYR 7 22.105 -3.506 -9.956 60 H ARG 8 H ARG 8 17.088 -4.938 -15.808 61 HA ARG 8 HA ARG 8 15.511 -6.992 -17.141 62 HB2 ARG 8 HB2 ARG 8 14.099 -5.276 -18.268 63 HB3 ARG 8 HB3 ARG 8 13.800 -5.410 -16.540 64 HG2 ARG 8 HG2 ARG 8 13.868 -3.152 -16.724 65 HG3 ARG 8 HG3 ARG 8 15.585 -3.458 -16.453 66 HD2 ARG 8 HD2 ARG 8 15.182 -1.891 -18.311 67 HD3 ARG 8 HD3 ARG 8 16.017 -3.355 -18.827 68 HE ARG 8 HE ARG 8 14.213 -3.883 -20.136 69 HH11 ARG 8 HH11 ARG 8 13.305 -1.391 -17.881 70 HH12 ARG 8 HH12 ARG 8 11.762 -1.107 -18.616 71 HH21 ARG 8 HH21 ARG 8 12.184 -3.518 -21.113 72 HH22 ARG 8 HH22 ARG 8 11.125 -2.318 -20.454 73 H ARG 9 H ARG 9 15.816 -7.067 -19.406 74 HA ARG 9 HA ARG 9 18.299 -5.774 -20.265 75 HB2 ARG 9 HB2 ARG 9 17.192 -8.377 -20.617 76 HB3 ARG 9 HB3 ARG 9 17.342 -7.631 -22.202 77 HG2 ARG 9 HG2 ARG 9 19.374 -8.687 -21.951 78 HG3 ARG 9 HG3 ARG 9 19.740 -7.041 -21.430 79 HD2 ARG 9 HD2 ARG 9 20.688 -8.757 -19.929 80 HD3 ARG 9 HD3 ARG 9 19.549 -7.686 -19.114 81 HE ARG 9 HE ARG 9 18.144 -9.473 -18.780 82 HH11 ARG 9 HH11 ARG 9 20.637 -10.351 -21.046 83 HH12 ARG 9 HH12 ARG 9 20.234 -12.036 -21.036 84 HH21 ARG 9 HH21 ARG 9 17.604 -11.689 -18.758 85 HH22 ARG 9 HH22 ARG 9 18.508 -12.796 -19.735 86 H VAL 10 H VAL 10 18.410 -4.400 -21.967 87 HA VAL 10 HA VAL 10 16.086 -4.033 -23.690 88 HB VAL 10 HB VAL 10 15.538 -2.428 -22.046 89 HG11 VAL 10 HG11 VAL 10 18.383 -1.434 -22.151 90 HG12 VAL 10 HG12 VAL 10 17.091 -0.819 -21.119 91 HG13 VAL 10 HG13 VAL 10 17.710 -2.453 -20.880 92 HG21 VAL 10 HG21 VAL 10 15.225 -0.693 -23.435 93 HG22 VAL 10 HG22 VAL 10 16.952 -0.491 -23.731 94 HG23 VAL 10 HG23 VAL 10 16.040 -1.706 -24.626 95 H ARG 11 H ARG 11 16.975 -4.331 -25.630 96 HA ARG 11 HA ARG 11 18.318 -4.092 -27.449 97 HB2 ARG 11 HB2 ARG 11 19.206 -1.543 -26.086 98 HB3 ARG 11 HB3 ARG 11 19.419 -1.940 -27.785 99 HG2 ARG 11 HG2 ARG 11 16.662 -1.959 -26.688 100 HG3 ARG 11 HG3 ARG 11 17.449 -0.401 -26.948 101 HD2 ARG 11 HD2 ARG 11 17.127 -2.564 -29.025 102 HD3 ARG 11 HD3 ARG 11 16.121 -1.122 -28.891 103 HE ARG 11 HE ARG 11 18.930 -0.559 -29.132 104 HH11 ARG 11 HH11 ARG 11 15.974 -1.193 -30.859 105 HH12 ARG 11 HH12 ARG 11 16.495 -0.395 -32.306 106 HH21 ARG 11 HH21 ARG 11 19.627 0.494 -31.031 107 HH22 ARG 11 HH22 ARG 11 18.573 0.564 -32.403 108 H GLY 12 H GLY 12 19.293 -5.784 -25.530 109 HA2 GLY 12 HA2 GLY 12 21.241 -6.947 -25.121 110 HA3 GLY 12 HA3 GLY 12 22.079 -5.807 -26.163 111 H VAL 13 H VAL 13 20.391 -4.122 -23.836 112 HA VAL 13 HA VAL 13 22.821 -3.860 -22.194 113 HB VAL 13 HB VAL 13 20.611 -1.831 -22.222 114 HG11 VAL 13 HG11 VAL 13 22.904 -0.463 -21.955 115 HG12 VAL 13 HG12 VAL 13 22.021 -1.150 -20.589 116 HG13 VAL 13 HG13 VAL 13 23.402 -2.011 -21.272 117 HG21 VAL 13 HG21 VAL 13 22.418 -0.733 -23.904 118 HG22 VAL 13 HG22 VAL 13 22.526 -2.428 -24.379 119 HG23 VAL 13 HG23 VAL 13 20.973 -1.593 -24.436 120 H LEU 14 H LEU 14 22.418 -3.241 -19.893 121 HA LEU 14 HA LEU 14 19.955 -4.440 -18.828 122 HB2 LEU 14 HB2 LEU 14 21.726 -6.093 -18.649 123 HB3 LEU 14 HB3 LEU 14 22.761 -4.922 -17.834 124 HG LEU 14 HG LEU 14 21.306 -4.931 -15.899 125 HD11 LEU 14 HD11 LEU 14 19.579 -7.044 -16.202 126 HD12 LEU 14 HD12 LEU 14 19.474 -6.221 -17.758 127 HD13 LEU 14 HD13 LEU 14 19.144 -5.336 -16.268 128 HD21 LEU 14 HD21 LEU 14 21.471 -7.456 -15.375 129 HD22 LEU 14 HD22 LEU 14 22.954 -6.548 -15.670 130 HD23 LEU 14 HD23 LEU 14 22.274 -7.565 -16.942 131 H VAL 15 H VAL 15 18.940 -3.160 -17.434 132 HA VAL 15 HA VAL 15 20.501 -1.103 -16.013 133 HB VAL 15 HB VAL 15 18.399 0.322 -16.144 134 HG11 VAL 15 HG11 VAL 15 20.111 -0.305 -18.529 135 HG12 VAL 15 HG12 VAL 15 18.911 0.989 -18.560 136 HG13 VAL 15 HG13 VAL 15 20.240 1.044 -17.400 137 HG21 VAL 15 HG21 VAL 15 17.739 -1.692 -18.290 138 HG22 VAL 15 HG22 VAL 15 16.815 -1.363 -16.824 139 HG23 VAL 15 HG23 VAL 15 16.929 -0.138 -18.087 140 H ARG 16 H ARG 16 19.280 -0.211 -14.097 141 HA ARG 16 HA ARG 16 17.965 -2.436 -12.694 142 HB2 ARG 16 HB2 ARG 16 19.998 -1.765 -11.602 143 HB3 ARG 16 HB3 ARG 16 19.526 -0.071 -11.654 144 HG2 ARG 16 HG2 ARG 16 17.470 -0.996 -10.255 145 HG3 ARG 16 HG3 ARG 16 18.656 -2.231 -9.826 146 HD2 ARG 16 HD2 ARG 16 18.626 -0.350 -8.234 147 HD3 ARG 16 HD3 ARG 16 20.187 -0.539 -9.032 148 HE ARG 16 HE ARG 16 18.725 1.295 -10.517 149 HH11 ARG 16 HH11 ARG 16 20.064 1.027 -7.315 150 HH12 ARG 16 HH12 ARG 16 20.301 2.733 -7.130 151 HH21 ARG 16 HH21 ARG 16 19.032 3.543 -10.285 152 HH22 ARG 16 HH22 ARG 16 19.713 4.164 -8.820 153 H TYR 17 H TYR 17 15.919 -2.245 -12.028 154 HA TYR 17 HA TYR 17 14.726 0.364 -11.599 155 HB2 TYR 17 HB2 TYR 17 13.006 0.189 -13.207 156 HB3 TYR 17 HB3 TYR 17 14.479 -0.233 -14.072 157 HD1 TYR 17 HD1 TYR 17 11.174 -1.077 -13.775 158 HD2 TYR 17 HD2 TYR 17 15.008 -2.922 -13.778 159 HE1 TYR 17 HE1 TYR 17 10.146 -3.198 -14.474 160 HE2 TYR 17 HE2 TYR 17 13.990 -5.049 -14.479 161 HH TYR 17 HH TYR 17 10.738 -5.266 -15.548 162 H ARG 18 H ARG 18 12.600 0.231 -10.603 163 HA ARG 18 HA ARG 18 12.171 -2.346 -9.238 164 HB2 ARG 18 HB2 ARG 18 11.350 -1.072 -7.304 165 HB3 ARG 18 HB3 ARG 18 13.016 -0.663 -7.690 166 HG2 ARG 18 HG2 ARG 18 11.044 1.054 -8.993 167 HG3 ARG 18 HG3 ARG 18 11.016 1.128 -7.230 168 HD2 ARG 18 HD2 ARG 18 12.595 2.700 -8.602 169 HD3 ARG 18 HD3 ARG 18 13.148 1.968 -7.096 170 HE ARG 18 HE ARG 18 13.816 0.257 -9.204 171 HH11 ARG 18 HH11 ARG 18 14.646 3.412 -7.988 172 HH12 ARG 18 HH12 ARG 18 16.263 3.369 -8.608 173 HH21 ARG 18 HH21 ARG 18 15.943 0.188 -10.025 174 HH22 ARG 18 HH22 ARG 18 17.000 1.535 -9.767 175 H ARG 19 H ARG 19 10.037 -2.999 -8.849 176 HA ARG 19 HA ARG 19 8.065 -1.713 -10.607 177 HB2 ARG 19 HB2 ARG 19 8.510 -4.048 -11.128 178 HB3 ARG 19 HB3 ARG 19 8.157 -4.511 -9.468 179 HG2 ARG 19 HG2 ARG 19 6.159 -5.029 -10.384 180 HG3 ARG 19 HG3 ARG 19 5.848 -3.323 -10.054 181 HD2 ARG 19 HD2 ARG 19 6.547 -2.781 -12.356 182 HD3 ARG 19 HD3 ARG 19 6.773 -4.501 -12.672 183 HE ARG 19 HE ARG 19 4.150 -3.977 -11.726 184 HH11 ARG 19 HH11 ARG 19 6.177 -3.709 -14.544 185 HH12 ARG 19 HH12 ARG 19 4.857 -3.799 -15.663 186 HH21 ARG 19 HH21 ARG 19 2.404 -4.097 -13.189 187 HH22 ARG 19 HH22 ARG 19 2.711 -4.018 -14.891 188 H CYS 20 H CYS 20 6.432 -0.626 -9.740 189 HA CYS 20 HA CYS 20 5.713 -1.174 -6.935 190 HB2 CYS 20 HB2 CYS 20 5.728 1.473 -8.397 191 HB3 CYS 20 HB3 CYS 20 5.072 1.232 -6.782 192 H TRP 21 H TRP 21 3.759 -2.024 -6.750 193 HA TRP 21 HA TRP 21 1.693 -1.240 -8.702 194 HB2 TRP 21 HB2 TRP 21 0.695 -3.499 -8.335 195 HB3 TRP 21 HB3 TRP 21 2.289 -3.547 -9.083 196 HD1 TRP 21 HD1 TRP 21 0.506 -4.361 -5.788 197 HE1 TRP 21 HE1 TRP 21 2.006 -5.937 -4.413 198 HE3 TRP 21 HE3 TRP 21 4.695 -4.250 -8.716 199 HZ2 TRP 21 HZ2 TRP 21 4.621 -6.992 -4.551 200 HZ3 TRP 21 HZ3 TRP 21 6.653 -5.571 -8.024 201 HH2 TRP 21 HH2 TRP 21 6.614 -6.912 -5.984
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