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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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525514 |
2l8x ![]() ![]() |
17430 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HN ARG 1 9.910 -6.875 1.330 2 HA ARG 1 HA ARG 1 7.115 -6.353 1.827 3 HB2 ARG 1 HB2 ARG 1 9.243 -8.047 3.187 4 HB3 ARG 1 HB3 ARG 1 7.767 -7.649 4.044 5 HG2 ARG 1 HG2 ARG 1 7.840 -9.864 2.647 6 HG3 ARG 1 HG3 ARG 1 6.402 -8.866 2.554 7 HD2 ARG 1 HD2 ARG 1 7.210 -7.838 0.446 8 HD3 ARG 1 HD3 ARG 1 8.713 -8.731 0.556 9 HE ARG 1 HE ARG 1 6.598 -10.628 0.676 10 HH11 ARG 1 HH22 ARG 1 7.975 -8.337 -1.650 11 HH12 ARG 1 HH21 ARG 1 7.493 -9.261 -3.033 12 HH22 ARG 1 HH1 ARG 1 6.310 -11.321 -2.715 13 H TRP 2 HN TRP 2 6.459 -5.292 3.906 14 HA TRP 2 HA TRP 2 8.479 -3.322 4.723 15 HB2 TRP 2 HB2 TRP 2 5.578 -2.938 5.280 16 HB3 TRP 2 HB3 TRP 2 6.836 -1.756 4.977 17 HD1 TRP 2 HD1 TRP 2 3.849 -2.499 3.357 18 HE1 TRP 2 HE1 TRP 2 3.837 -2.350 0.722 19 HE3 TRP 2 HE3 TRP 2 8.896 -2.757 2.794 20 HZ2 TRP 2 HZ2 TRP 2 5.893 -2.356 -1.257 21 HZ3 TRP 2 HZ3 TRP 2 9.812 -2.678 0.476 22 HH2 TRP 2 HH2 TRP 2 8.399 -2.485 -1.508 23 H CYS 3 HN CYS 3 9.226 -3.442 6.809 24 HA CYS 3 HA CYS 3 7.572 -4.912 8.716 25 HB2 CYS 3 HB2 CYS 3 10.414 -5.460 7.958 26 HB3 CYS 3 HB3 CYS 3 9.925 -5.690 9.624 27 H VAL 4 HN VAL 4 8.748 -4.514 11.047 28 HA VAL 4 HA VAL 4 9.976 -1.899 11.171 29 HB VAL 4 HB VAL 4 8.316 -0.771 12.229 30 HG11 VAL 4 HG11 VAL 4 6.115 -1.249 11.151 31 HG12 VAL 4 HG12 VAL 4 7.477 -1.210 10.006 32 HG13 VAL 4 HG13 VAL 4 6.794 -2.770 10.525 33 HG21 VAL 4 HG21 VAL 4 6.310 -2.056 13.300 34 HG22 VAL 4 HG22 VAL 4 7.402 -3.460 13.231 35 HG23 VAL 4 HG23 VAL 4 7.875 -2.009 14.147 36 H TYR 5 HN TYR 5 11.476 -1.860 12.791 37 HA TYR 5 HA TYR 5 11.246 -3.981 14.819 38 HB2 TYR 5 HB2 TYR 5 13.445 -2.968 12.981 39 HB3 TYR 5 HB3 TYR 5 13.939 -3.463 14.587 40 HD1 TYR 5 HD1 TYR 5 12.084 -5.783 15.031 41 HD2 TYR 5 HD2 TYR 5 14.362 -4.633 11.597 42 HE1 TYR 5 HE1 TYR 5 12.154 -8.204 14.258 43 HE2 TYR 5 HE2 TYR 5 14.424 -7.058 10.835 44 HH TYR 5 HH TYR 5 12.624 -9.543 12.585 45 H ALA 6 HN ALA 6 11.278 -3.283 16.904 46 HA ALA 6 HA ALA 6 12.401 -0.610 17.380 47 HB1 ALA 6 HB1 ALA 6 10.347 -1.081 19.270 48 HB2 ALA 6 HB2 ALA 6 10.335 0.088 17.927 49 HB3 ALA 6 HB3 ALA 6 9.673 -1.547 17.690 50 H TYR 7 HN TYR 7 13.405 -0.325 19.461 51 HA TYR 7 HA TYR 7 13.617 -2.684 21.139 52 HB2 TYR 7 HB2 TYR 7 15.420 -2.843 19.369 53 HB3 TYR 7 HB3 TYR 7 15.916 -1.200 19.720 54 HD1 TYR 7 HD1 TYR 7 16.661 -0.747 22.221 55 HD2 TYR 7 HD2 TYR 7 16.546 -4.612 20.390 56 HE1 TYR 7 HE1 TYR 7 18.314 -1.621 23.944 57 HE2 TYR 7 HE2 TYR 7 18.200 -5.472 22.119 58 HH TYR 7 HH TYR 7 19.855 -3.323 24.255 59 H VAL 8 HN VAL 8 13.212 -1.938 23.156 60 HA VAL 8 HA VAL 8 14.274 0.726 23.807 61 HB VAL 8 HB VAL 8 11.832 -0.589 24.999 62 HG11 VAL 8 HG11 VAL 8 13.367 1.737 25.662 63 HG12 VAL 8 HG12 VAL 8 11.767 2.260 25.082 64 HG13 VAL 8 HG13 VAL 8 11.891 1.112 26.438 65 HG21 VAL 8 HG21 VAL 8 12.149 0.967 22.478 66 HG22 VAL 8 HG22 VAL 8 10.962 -0.285 22.916 67 HG23 VAL 8 HG23 VAL 8 10.762 1.379 23.515 68 H ARG 9 HN ARG 9 15.579 0.889 25.599 69 HA ARG 9 HA ARG 9 15.564 -1.311 27.447 70 HB2 ARG 9 HB2 ARG 9 17.312 -2.197 26.146 71 HB3 ARG 9 HB3 ARG 9 17.861 -0.620 25.614 72 HG2 ARG 9 HG2 ARG 9 18.842 -0.146 27.812 73 HG3 ARG 9 HG3 ARG 9 18.139 -1.601 28.492 74 HD2 ARG 9 HD2 ARG 9 19.938 -2.814 27.825 75 HD3 ARG 9 HD3 ARG 9 19.644 -2.376 26.154 76 HE ARG 9 HE ARG 9 20.851 -0.112 27.051 77 HH11 ARG 9 HH22 ARG 9 21.731 -3.513 27.514 78 HH12 ARG 9 HH21 ARG 9 23.427 -3.185 27.642 79 HH22 ARG 9 HH1 ARG 9 24.203 -0.924 27.466 80 H ILE 10 HN ILE 10 15.497 -0.372 29.465 81 HA ILE 10 HA ILE 10 17.231 1.873 30.010 82 HB ILE 10 HB ILE 10 14.357 2.257 30.716 83 HG12 ILE 10 HG12 ILE 10 15.537 3.006 28.024 84 HG13 ILE 10 HG13 ILE 10 14.361 1.735 28.294 85 HG21 ILE 10 HG21 ILE 10 16.760 3.683 31.075 86 HG22 ILE 10 HG22 ILE 10 15.813 4.594 29.875 87 HG23 ILE 10 HG23 ILE 10 15.104 4.208 31.461 88 HD11 ILE 10 HD11 ILE 10 13.994 4.694 28.310 89 HD12 ILE 10 HD12 ILE 10 12.854 3.408 27.847 90 HD13 ILE 10 HD13 ILE 10 13.099 3.804 29.565 91 H ARG 11 HN ARG 11 17.496 2.232 32.329 92 HA ARG 11 HA ARG 11 17.786 1.547 34.356 93 HB2 ARG 11 HB2 ARG 11 15.012 0.502 33.793 94 HB3 ARG 11 HB3 ARG 11 15.792 -0.057 35.259 95 HG2 ARG 11 HG2 ARG 11 15.137 1.876 36.249 96 HG3 ARG 11 HG3 ARG 11 16.309 2.711 35.249 97 HD2 ARG 11 HD2 ARG 11 14.689 3.324 33.622 98 HD3 ARG 11 HD3 ARG 11 13.578 2.057 34.103 99 HE ARG 11 HE ARG 11 13.890 3.727 36.362 100 HH11 ARG 11 HH22 ARG 11 12.650 4.028 33.057 101 HH12 ARG 11 HH21 ARG 11 11.521 5.277 33.462 102 HH22 ARG 11 HH1 ARG 11 11.391 6.053 35.726 103 H GLY 12 HN GLY 12 15.957 -1.422 33.383 104 HA2 GLY 12 HA1 GLY 12 18.361 -2.960 32.959 105 HA3 GLY 12 HA2 GLY 12 17.563 -3.305 34.480 106 H VAL 13 HN VAL 13 15.678 -2.192 31.680 107 HA VAL 13 HA VAL 13 14.710 -4.946 31.338 108 HB VAL 13 HB VAL 13 13.136 -2.364 31.317 109 HG11 VAL 13 HG11 VAL 13 11.158 -3.931 31.126 110 HG12 VAL 13 HG12 VAL 13 12.172 -3.795 29.670 111 HG13 VAL 13 HG13 VAL 13 12.317 -5.221 30.725 112 HG21 VAL 13 HG21 VAL 13 13.621 -4.468 33.364 113 HG22 VAL 13 HG22 VAL 13 13.264 -2.735 33.557 114 HG23 VAL 13 HG23 VAL 13 11.949 -3.880 33.203 115 H LEU 14 HN LEU 14 13.925 -5.456 29.156 116 HA LEU 14 HA LEU 14 14.778 -3.556 27.114 117 HB2 LEU 14 HB2 LEU 14 16.716 -4.926 27.438 118 HB3 LEU 14 HB3 LEU 14 15.763 -6.396 27.376 119 HG LEU 14 HG LEU 14 15.539 -6.340 25.080 120 HD11 LEU 14 HD11 LEU 14 14.519 -4.257 24.695 121 HD12 LEU 14 HD12 LEU 14 15.943 -3.354 25.268 122 HD13 LEU 14 HD13 LEU 14 16.009 -4.233 23.721 123 HD21 LEU 14 HD21 LEU 14 17.766 -5.711 24.110 124 HD22 LEU 14 HD22 LEU 14 18.198 -5.034 25.699 125 HD23 LEU 14 HD23 LEU 14 17.840 -6.770 25.540 126 H VAL 15 HN VAL 15 12.962 -3.172 25.971 127 HA VAL 15 HA VAL 15 11.176 -5.465 25.536 128 HB VAL 15 HB VAL 15 10.294 -2.619 25.283 129 HG11 VAL 15 HG11 VAL 15 8.539 -4.526 26.628 130 HG12 VAL 15 HG12 VAL 15 8.248 -3.524 25.186 131 HG13 VAL 15 HG13 VAL 15 9.058 -5.101 25.026 132 HG21 VAL 15 HG21 VAL 15 11.184 -3.924 27.782 133 HG22 VAL 15 HG22 VAL 15 10.977 -2.199 27.394 134 HG23 VAL 15 HG23 VAL 15 9.566 -3.184 27.851 135 H ARG 16 HN ARG 16 12.072 -6.275 23.627 136 HA ARG 16 HA ARG 16 12.604 -4.387 21.533 137 HB2 ARG 16 HB2 ARG 16 12.997 -7.393 21.841 138 HB3 ARG 16 HB3 ARG 16 13.223 -6.612 20.289 139 HG2 ARG 16 HG2 ARG 16 14.841 -4.992 21.471 140 HG3 ARG 16 HG3 ARG 16 14.739 -6.039 22.873 141 HD2 ARG 16 HD2 ARG 16 16.706 -6.663 21.536 142 HD3 ARG 16 HD3 ARG 16 15.539 -7.970 21.489 143 HE ARG 16 HE ARG 16 16.254 -6.168 19.253 144 HH11 ARG 16 HH22 ARG 16 14.071 -8.689 20.452 145 HH12 ARG 16 HH21 ARG 16 13.526 -9.142 18.872 146 HH22 ARG 16 HH1 ARG 16 14.400 -7.999 16.956 147 H TYR 17 HN TYR 17 10.736 -3.654 20.515 148 HA TYR 17 HA TYR 17 8.545 -5.514 20.106 149 HB2 TYR 17 HB2 TYR 17 8.727 -2.872 20.788 150 HB3 TYR 17 HB3 TYR 17 8.765 -2.665 19.048 151 HD1 TYR 17 HD1 TYR 17 6.712 -3.804 21.901 152 HD2 TYR 17 HD2 TYR 17 6.788 -3.013 17.697 153 HE1 TYR 17 HE1 TYR 17 4.174 -3.929 21.825 154 HE2 TYR 17 HE2 TYR 17 4.249 -3.141 17.635 155 HH TYR 17 HH TYR 17 2.473 -4.334 19.068 156 H ARG 18 HN ARG 18 7.519 -5.755 17.964 157 HA ARG 18 HA ARG 18 9.161 -5.029 15.737 158 HB2 ARG 18 HB2 ARG 18 8.903 -7.559 14.932 159 HB3 ARG 18 HB3 ARG 18 10.244 -7.094 15.959 160 HG2 ARG 18 HG2 ARG 18 8.793 -7.737 17.976 161 HG3 ARG 18 HG3 ARG 18 7.631 -8.399 16.844 162 HD2 ARG 18 HD2 ARG 18 10.557 -9.252 16.812 163 HD3 ARG 18 HD3 ARG 18 9.380 -10.040 17.843 164 HE ARG 18 HE ARG 18 8.187 -10.037 15.319 165 HH11 ARG 18 HH22 ARG 18 11.233 -11.265 16.647 166 HH12 ARG 18 HH21 ARG 18 11.347 -12.567 15.510 167 HH22 ARG 18 HH1 ARG 18 9.633 -12.836 13.857 168 H ARG 19 HN ARG 19 7.992 -6.000 13.606 169 HA ARG 19 HA ARG 19 5.364 -6.760 13.748 170 HB2 ARG 19 HB2 ARG 19 5.316 -4.250 14.632 171 HB3 ARG 19 HB3 ARG 19 5.480 -3.836 12.937 172 HG2 ARG 19 HG2 ARG 19 3.381 -5.868 13.688 173 HG3 ARG 19 HG3 ARG 19 3.069 -4.190 14.084 174 HD2 ARG 19 HD2 ARG 19 4.052 -4.104 11.432 175 HD3 ARG 19 HD3 ARG 19 3.018 -5.519 11.461 176 HE ARG 19 HE ARG 19 1.140 -4.138 11.815 177 HH11 ARG 19 HH22 ARG 19 4.105 -2.243 12.224 178 HH12 ARG 19 HH21 ARG 19 3.275 -0.723 12.267 179 HH22 ARG 19 HH1 ARG 19 0.888 -0.683 12.057 180 H CYS 20 HN CYS 20 4.394 -6.909 11.550 181 HA CYS 20 HA CYS 20 6.040 -5.969 9.376 182 HB2 CYS 20 HB2 CYS 20 5.684 -8.895 9.997 183 HB3 CYS 20 HB3 CYS 20 5.975 -8.332 8.364 184 H TRP 21 HN TRP 21 4.837 -6.221 7.274 185 HA TRP 21 HA TRP 21 1.949 -6.438 7.783 186 HB2 TRP 21 HB2 TRP 21 3.586 -4.576 6.126 187 HB3 TRP 21 HB3 TRP 21 2.002 -5.034 5.532 188 HD1 TRP 21 HD1 TRP 21 -0.079 -4.569 7.500 189 HE1 TRP 21 HE1 TRP 21 -0.468 -2.486 9.073 190 HE3 TRP 21 HE3 TRP 21 4.698 -2.841 7.271 191 HZ2 TRP 21 HZ2 TRP 21 1.227 -0.397 10.023 192 HZ3 TRP 21 HZ3 TRP 21 5.247 -0.773 8.551 193 HH2 TRP 21 HH2 TRP 21 3.603 0.439 9.893 194 H1 ARG 31 HN ARG 31 7.232 -0.638 3.436 195 HA ARG 31 HA ARG 31 9.506 1.093 3.680 196 HB2 ARG 31 HB2 ARG 31 6.851 0.895 5.179 197 HB3 ARG 31 HB3 ARG 31 8.101 2.034 5.639 198 HG2 ARG 31 HG2 ARG 31 6.872 3.375 4.188 199 HG3 ARG 31 HG3 ARG 31 8.026 2.701 3.054 200 HD2 ARG 31 HD2 ARG 31 5.783 2.503 2.094 201 HD3 ARG 31 HD3 ARG 31 6.370 0.895 2.471 202 HE ARG 31 HE ARG 31 4.878 2.056 4.690 203 HH11 ARG 31 HH22 ARG 31 4.524 0.344 1.607 204 HH12 ARG 31 HH21 ARG 31 2.976 -0.319 2.012 205 HH22 ARG 31 HH1 ARG 31 2.003 0.186 4.143 206 H TRP 32 HN TRP 32 10.544 1.387 5.910 207 HA TRP 32 HA TRP 32 10.392 -1.031 7.546 208 HB2 TRP 32 HB2 TRP 32 12.741 -0.078 5.998 209 HB3 TRP 32 HB3 TRP 32 13.040 -0.603 7.643 210 HD1 TRP 32 HD1 TRP 32 12.066 -1.998 4.212 211 HE1 TRP 32 HE1 TRP 32 12.149 -4.635 4.176 212 HE3 TRP 32 HE3 TRP 32 12.720 -2.570 9.222 213 HZ2 TRP 32 HZ2 TRP 32 12.471 -6.620 6.201 214 HZ3 TRP 32 HZ3 TRP 32 12.910 -4.891 10.111 215 HH2 TRP 32 HH2 TRP 32 12.795 -6.875 8.689 216 H CYS 33 HN CYS 33 9.572 -0.102 9.397 217 HA CYS 33 HA CYS 33 10.457 2.550 10.114 218 HB2 CYS 33 HB2 CYS 33 8.251 0.734 10.924 219 HB3 CYS 33 HB3 CYS 33 8.848 1.836 12.148 220 H VAL 34 HN VAL 34 11.446 2.984 12.248 221 HA VAL 34 HA VAL 34 12.429 0.694 13.711 222 HB VAL 34 HB VAL 34 14.715 1.120 13.436 223 HG11 VAL 34 HG11 VAL 34 13.470 1.461 10.686 224 HG12 VAL 34 HG12 VAL 34 15.105 0.853 11.039 225 HG13 VAL 34 HG13 VAL 34 13.680 -0.084 11.546 226 HG21 VAL 34 HG21 VAL 34 15.610 3.031 12.115 227 HG22 VAL 34 HG22 VAL 34 13.955 3.672 11.976 228 HG23 VAL 34 HG23 VAL 34 14.727 3.540 13.574 229 H TYR 35 HN TYR 35 12.155 1.163 15.828 230 HA TYR 35 HA TYR 35 12.661 3.894 16.706 231 HB2 TYR 35 HB2 TYR 35 10.120 3.129 16.051 232 HB3 TYR 35 HB3 TYR 35 10.189 2.366 17.627 233 HD1 TYR 35 HD1 TYR 35 10.556 3.783 19.679 234 HD2 TYR 35 HD2 TYR 35 9.823 5.492 15.826 235 HE1 TYR 35 HE1 TYR 35 9.938 5.995 20.770 236 HE2 TYR 35 HE2 TYR 35 9.207 7.698 16.930 237 HH TYR 35 HH TYR 35 9.902 8.804 19.252 238 H ALA 36 HN ALA 36 14.106 3.692 18.337 239 HA ALA 36 HA ALA 36 13.620 1.551 20.277 240 HB1 ALA 36 HB1 ALA 36 15.368 0.595 19.036 241 HB2 ALA 36 HB2 ALA 36 16.141 2.169 18.729 242 HB3 ALA 36 HB3 ALA 36 16.228 1.435 20.348 243 H TYR 37 HN TYR 37 14.764 2.014 22.394 244 HA TYR 37 HA TYR 37 15.467 4.804 22.775 245 HB2 TYR 37 HB2 TYR 37 12.883 4.295 23.031 246 HB3 TYR 37 HB3 TYR 37 13.330 3.340 24.431 247 HD1 TYR 37 HD1 TYR 37 14.491 4.493 26.384 248 HD2 TYR 37 HD2 TYR 37 12.662 6.655 23.177 249 HE1 TYR 37 HE1 TYR 37 14.417 6.586 27.827 250 HE2 TYR 37 HE2 TYR 37 12.595 8.740 24.630 251 HH TYR 37 HH TYR 37 12.673 9.414 26.811 252 H VAL 38 HN VAL 38 17.574 3.730 23.120 253 HA VAL 38 HA VAL 38 17.677 2.147 25.576 254 HB VAL 38 HB VAL 38 19.682 2.635 23.366 255 HG11 VAL 38 HG11 VAL 38 20.812 0.615 24.610 256 HG12 VAL 38 HG12 VAL 38 21.081 2.281 25.174 257 HG13 VAL 38 HG13 VAL 38 19.911 1.235 26.015 258 HG21 VAL 38 HG21 VAL 38 19.276 0.001 23.285 259 HG22 VAL 38 HG22 VAL 38 17.699 0.478 23.958 260 HG23 VAL 38 HG23 VAL 38 18.239 1.144 22.398 261 H ARG 39 HN ARG 39 18.829 2.823 27.398 262 HA ARG 39 HA ARG 39 20.164 5.372 27.171 263 HB2 ARG 39 HB2 ARG 39 17.718 5.682 27.953 264 HB3 ARG 39 HB3 ARG 39 18.163 4.819 29.412 265 HG2 ARG 39 HG2 ARG 39 20.020 6.530 29.771 266 HG3 ARG 39 HG3 ARG 39 19.389 7.429 28.406 267 HD2 ARG 39 HD2 ARG 39 17.840 8.408 29.745 268 HD3 ARG 39 HD3 ARG 39 17.161 6.839 30.133 269 HE ARG 39 HE ARG 39 19.320 6.859 31.782 270 HH11 ARG 39 HH22 ARG 39 16.896 9.367 31.156 271 HH12 ARG 39 HH21 ARG 39 17.028 10.063 32.736 272 HH22 ARG 39 HH1 ARG 39 18.561 9.112 34.314 273 H ILE 40 HN ILE 40 21.997 5.503 28.523 274 HA ILE 40 HA ILE 40 22.231 3.652 30.729 275 HB ILE 40 HB ILE 40 23.746 3.370 28.174 276 HG12 ILE 40 HG12 ILE 40 22.019 1.762 29.863 277 HG13 ILE 40 HG13 ILE 40 22.514 1.512 28.200 278 HG21 ILE 40 HG21 ILE 40 25.574 2.211 29.342 279 HG22 ILE 40 HG22 ILE 40 25.499 3.940 29.758 280 HG23 ILE 40 HG23 ILE 40 24.891 2.721 30.904 281 HD11 ILE 40 HD11 ILE 40 23.268 -0.337 29.709 282 HD12 ILE 40 HD12 ILE 40 24.635 0.495 28.930 283 HD13 ILE 40 HD13 ILE 40 24.236 0.839 30.631 284 H ARG 41 HN ARG 41 24.173 4.162 32.074 285 HA ARG 41 HA ARG 41 25.323 5.604 33.200 286 HB2 ARG 41 HB2 ARG 41 25.941 6.631 30.392 287 HB3 ARG 41 HB3 ARG 41 26.726 7.298 31.810 288 HG2 ARG 41 HG2 ARG 41 26.715 4.297 31.347 289 HG3 ARG 41 HG3 ARG 41 27.877 5.310 30.514 290 HD2 ARG 41 HD2 ARG 41 27.502 5.278 33.548 291 HD3 ARG 41 HD3 ARG 41 28.735 4.365 32.701 292 HE ARG 41 HE ARG 41 28.795 7.186 31.979 293 HH11 ARG 41 HH22 ARG 41 29.837 4.862 34.442 294 HH12 ARG 41 HH21 ARG 41 31.166 5.837 34.976 295 HH22 ARG 41 HH1 ARG 41 31.565 7.955 33.928 296 H GLY 42 HN GLY 42 24.579 7.982 30.578 297 HA2 GLY 42 HA1 GLY 42 22.443 9.225 32.056 298 HA3 GLY 42 HA2 GLY 42 23.947 10.121 32.130 299 H VAL 43 HN VAL 43 23.182 8.083 29.314 300 HA VAL 43 HA VAL 43 22.447 10.491 27.815 301 HB VAL 43 HB VAL 43 24.202 8.454 26.534 302 HG11 VAL 43 HG11 VAL 43 24.063 9.988 24.919 303 HG12 VAL 43 HG12 VAL 43 23.226 11.124 26.004 304 HG13 VAL 43 HG13 VAL 43 25.005 11.093 25.950 305 HG21 VAL 43 HG21 VAL 43 26.241 9.572 27.330 306 HG22 VAL 43 HG22 VAL 43 25.262 10.599 28.405 307 HG23 VAL 43 HG23 VAL 43 25.333 8.841 28.676 308 H LEU 44 HN LEU 44 20.588 10.203 26.692 309 HA LEU 44 HA LEU 44 19.645 7.447 26.430 310 HB2 LEU 44 HB2 LEU 44 17.974 8.504 27.515 311 HB3 LEU 44 HB3 LEU 44 18.378 10.080 26.864 312 HG LEU 44 HG LEU 44 17.344 9.433 24.699 313 HD11 LEU 44 HD11 LEU 44 15.688 7.305 25.306 314 HD12 LEU 44 HD12 LEU 44 17.139 7.253 24.276 315 HD13 LEU 44 HD13 LEU 44 17.254 6.818 25.998 316 HD21 LEU 44 HD21 LEU 44 14.980 9.467 25.523 317 HD22 LEU 44 HD22 LEU 44 15.612 9.283 27.177 318 HD23 LEU 44 HD23 LEU 44 16.029 10.725 26.220 319 H VAL 45 HN VAL 45 19.939 6.465 24.509 320 HA VAL 45 HA VAL 45 20.312 8.187 22.176 321 HB VAL 45 HB VAL 45 20.806 5.226 22.305 322 HG11 VAL 45 HG11 VAL 45 21.186 5.781 20.135 323 HG12 VAL 45 HG12 VAL 45 21.511 7.490 20.512 324 HG13 VAL 45 HG13 VAL 45 22.774 6.265 20.776 325 HG21 VAL 45 HG21 VAL 45 22.095 5.795 24.143 326 HG22 VAL 45 HG22 VAL 45 23.257 6.015 22.813 327 HG23 VAL 45 HG23 VAL 45 22.447 7.428 23.530 328 H ARG 46 HN ARG 46 18.340 8.693 21.308 329 HA ARG 46 HA ARG 46 16.451 6.498 21.108 330 HB2 ARG 46 HB2 ARG 46 15.790 9.397 20.484 331 HB3 ARG 46 HB3 ARG 46 14.706 8.126 21.014 332 HG2 ARG 46 HG2 ARG 46 15.666 8.140 23.262 333 HG3 ARG 46 HG3 ARG 46 16.957 9.215 22.763 334 HD2 ARG 46 HD2 ARG 46 13.998 9.859 23.063 335 HD3 ARG 46 HD3 ARG 46 15.355 10.618 23.873 336 HE ARG 46 HE ARG 46 15.945 11.191 21.282 337 HH11 ARG 46 HH22 ARG 46 12.886 11.462 23.049 338 HH12 ARG 46 HH21 ARG 46 12.305 12.781 22.089 339 HH22 ARG 46 HH1 ARG 46 13.669 13.629 20.310 340 H TYR 47 HN TYR 47 15.405 6.057 19.036 341 HA TYR 47 HA TYR 47 16.564 7.435 16.732 342 HB2 TYR 47 HB2 TYR 47 17.752 5.206 17.453 343 HB3 TYR 47 HB3 TYR 47 16.245 4.394 17.077 344 HD1 TYR 47 HD1 TYR 47 15.293 5.197 14.604 345 HD2 TYR 47 HD2 TYR 47 19.388 5.027 15.831 346 HE1 TYR 47 HE1 TYR 47 16.020 4.987 12.176 347 HE2 TYR 47 HE2 TYR 47 20.101 4.817 13.399 348 HH TYR 47 HH TYR 47 18.883 5.639 11.091 349 H ARG 48 HN ARG 48 15.112 7.767 15.073 350 HA ARG 48 HA ARG 48 12.755 6.141 15.014 351 HB2 ARG 48 HB2 ARG 48 11.406 8.438 14.790 352 HB3 ARG 48 HB3 ARG 48 11.713 7.739 16.367 353 HG2 ARG 48 HG2 ARG 48 13.068 9.465 16.987 354 HG3 ARG 48 HG3 ARG 48 13.965 9.410 15.483 355 HD2 ARG 48 HD2 ARG 48 12.554 11.556 16.014 356 HD3 ARG 48 HD3 ARG 48 12.498 10.906 14.387 357 HE ARG 48 HE ARG 48 10.436 9.841 16.204 358 HH11 ARG 48 HH22 ARG 48 11.230 12.305 13.786 359 HH12 ARG 48 HH21 ARG 48 9.575 12.633 13.395 360 HH22 ARG 48 HH1 ARG 48 7.841 11.427 14.526 361 H ARG 49 HN ARG 49 12.347 5.688 12.866 362 HA ARG 49 HA ARG 49 12.318 7.620 10.907 363 HB2 ARG 49 HB2 ARG 49 14.852 7.468 11.278 364 HB3 ARG 49 HB3 ARG 49 14.777 5.814 10.705 365 HG2 ARG 49 HG2 ARG 49 13.651 8.100 9.043 366 HG3 ARG 49 HG3 ARG 49 15.355 7.694 8.982 367 HD2 ARG 49 HD2 ARG 49 13.871 5.231 8.745 368 HD3 ARG 49 HD3 ARG 49 13.153 6.386 7.639 369 HE ARG 49 HE ARG 49 15.863 5.259 7.482 370 HH11 ARG 49 HH22 ARG 49 13.727 7.872 6.404 371 HH12 ARG 49 HH21 ARG 49 14.671 8.231 4.997 372 HH22 ARG 49 HH1 ARG 49 16.656 6.961 4.559 373 H CYS 50 HN CYS 50 11.630 6.694 8.821 374 HA CYS 50 HA CYS 50 11.298 3.801 8.841 375 HB2 CYS 50 HB2 CYS 50 9.027 5.707 8.242 376 HB3 CYS 50 HB3 CYS 50 8.974 3.957 8.161 377 H TRP 51 HN TRP 51 11.581 2.921 6.764 378 HA TRP 51 HA TRP 51 12.425 4.819 4.735 379 HB2 TRP 51 HB2 TRP 51 12.839 1.926 5.283 380 HB3 TRP 51 HB3 TRP 51 12.853 2.431 3.605 381 HD1 TRP 51 HD1 TRP 51 14.963 3.923 2.802 382 HE1 TRP 51 HE1 TRP 51 17.332 4.514 3.803 383 HE3 TRP 51 HE3 TRP 51 13.925 2.390 7.537 384 HZ2 TRP 51 HZ2 TRP 51 18.480 4.279 6.405 385 HZ3 TRP 51 HZ3 TRP 51 15.725 2.605 9.248 386 HH2 TRP 51 HH2 TRP 51 17.939 3.511 8.746 Start of MODEL 2 1 H1 ARG 1 HN ARG 1 9.695 -6.248 0.547 2 HA ARG 1 HA ARG 1 7.457 -6.998 2.254 3 HB2 ARG 1 HB2 ARG 1 10.286 -8.047 2.086 4 HB3 ARG 1 HB3 ARG 1 9.528 -8.006 3.665 5 HG2 ARG 1 HG2 ARG 1 9.220 -10.183 2.351 6 HG3 ARG 1 HG3 ARG 1 7.749 -9.466 2.978 7 HD2 ARG 1 HD2 ARG 1 7.301 -8.416 0.753 8 HD3 ARG 1 HD3 ARG 1 8.784 -9.106 0.123 9 HE ARG 1 HE ARG 1 7.438 -11.315 1.118 10 HH11 ARG 1 HH22 ARG 1 6.567 -8.744 -1.159 11 HH12 ARG 1 HH21 ARG 1 5.473 -9.741 -2.059 12 HH22 ARG 1 HH1 ARG 1 5.152 -12.023 -1.399 13 H TRP 2 HN TRP 2 7.186 -5.776 4.146 14 HA TRP 2 HA TRP 2 9.377 -3.987 4.897 15 HB2 TRP 2 HB2 TRP 2 6.612 -2.888 4.950 16 HB3 TRP 2 HB3 TRP 2 8.152 -2.064 4.808 17 HD1 TRP 2 HD1 TRP 2 5.287 -3.175 2.700 18 HE1 TRP 2 HE1 TRP 2 5.724 -2.876 0.115 19 HE3 TRP 2 HE3 TRP 2 10.288 -2.349 3.107 20 HZ2 TRP 2 HZ2 TRP 2 8.060 -2.340 -1.435 21 HZ3 TRP 2 HZ3 TRP 2 11.573 -1.947 1.010 22 HH2 TRP 2 HH2 TRP 2 10.538 -1.933 -1.204 23 H CYS 3 HN CYS 3 9.416 -3.547 7.172 24 HA CYS 3 HA CYS 3 7.292 -4.670 8.770 25 HB2 CYS 3 HB2 CYS 3 10.117 -5.733 8.868 26 HB3 CYS 3 HB3 CYS 3 8.975 -5.925 10.183 27 H VAL 4 HN VAL 4 8.423 -4.416 11.284 28 HA VAL 4 HA VAL 4 9.815 -1.861 11.336 29 HB VAL 4 HB VAL 4 8.213 -0.688 12.429 30 HG11 VAL 4 HG11 VAL 4 6.607 -2.690 10.810 31 HG12 VAL 4 HG12 VAL 4 5.953 -1.167 11.458 32 HG13 VAL 4 HG13 VAL 4 7.268 -1.132 10.259 33 HG21 VAL 4 HG21 VAL 4 7.316 -3.341 13.527 34 HG22 VAL 4 HG22 VAL 4 7.818 -1.865 14.387 35 HG23 VAL 4 HG23 VAL 4 6.226 -1.935 13.595 36 H TYR 5 HN TYR 5 11.329 -1.790 12.956 37 HA TYR 5 HA TYR 5 11.160 -3.937 14.962 38 HB2 TYR 5 HB2 TYR 5 13.331 -2.844 13.127 39 HB3 TYR 5 HB3 TYR 5 13.836 -3.406 14.708 40 HD1 TYR 5 HD2 TYR 5 12.093 -5.767 15.118 41 HD2 TYR 5 HD1 TYR 5 14.145 -4.426 11.611 42 HE1 TYR 5 HE2 TYR 5 12.166 -8.152 14.240 43 HE2 TYR 5 HE1 TYR 5 14.211 -6.816 10.745 44 HH TYR 5 HH TYR 5 12.375 -9.063 11.522 45 H ALA 6 HN ALA 6 11.162 -3.247 17.046 46 HA ALA 6 HA ALA 6 12.297 -0.585 17.554 47 HB1 ALA 6 HB1 ALA 6 9.558 -1.502 17.832 48 HB2 ALA 6 HB2 ALA 6 10.223 -1.053 19.421 49 HB3 ALA 6 HB3 ALA 6 10.232 0.125 18.087 50 H TYR 7 HN TYR 7 13.311 -0.332 19.625 51 HA TYR 7 HA TYR 7 13.466 -2.690 21.309 52 HB2 TYR 7 HB2 TYR 7 15.262 -2.905 19.537 53 HB3 TYR 7 HB3 TYR 7 15.804 -1.275 19.881 54 HD1 TYR 7 HD2 TYR 7 16.525 -0.847 22.411 55 HD2 TYR 7 HD1 TYR 7 16.378 -4.688 20.532 56 HE1 TYR 7 HE2 TYR 7 18.155 -1.761 24.135 57 HE2 TYR 7 HE1 TYR 7 18.009 -5.589 22.262 58 HH TYR 7 HH TYR 7 19.485 -4.995 23.820 59 H VAL 8 HN VAL 8 13.113 -1.938 23.332 60 HA VAL 8 HA VAL 8 14.211 0.717 23.958 61 HB VAL 8 HB VAL 8 11.768 -0.606 25.148 62 HG11 VAL 8 HG11 VAL 8 13.343 1.710 25.868 63 HG12 VAL 8 HG12 VAL 8 11.687 2.199 25.435 64 HG13 VAL 8 HG13 VAL 8 11.952 0.980 26.706 65 HG21 VAL 8 HG21 VAL 8 10.480 0.176 23.493 66 HG22 VAL 8 HG22 VAL 8 11.275 1.769 23.526 67 HG23 VAL 8 HG23 VAL 8 11.981 0.441 22.573 68 H ARG 9 HN ARG 9 15.544 0.886 25.731 69 HA ARG 9 HA ARG 9 15.577 -1.331 27.563 70 HB2 ARG 9 HB2 ARG 9 17.320 -2.167 26.217 71 HB3 ARG 9 HB3 ARG 9 17.846 -0.572 25.719 72 HG2 ARG 9 HG2 ARG 9 18.886 -0.141 27.872 73 HG3 ARG 9 HG3 ARG 9 18.137 -1.554 28.590 74 HD2 ARG 9 HD2 ARG 9 19.878 -2.853 27.931 75 HD3 ARG 9 HD3 ARG 9 19.601 -2.425 26.255 76 HE ARG 9 HE ARG 9 20.897 -0.199 27.121 77 HH11 ARG 9 HH22 ARG 9 21.642 -3.625 27.634 78 HH12 ARG 9 HH21 ARG 9 23.350 -3.362 27.759 79 HH22 ARG 9 HH1 ARG 9 24.213 -1.137 27.551 80 H ILE 10 HN ILE 10 15.484 -0.398 29.582 81 HA ILE 10 HA ILE 10 17.212 1.844 30.152 82 HB ILE 10 HB ILE 10 14.329 2.221 30.833 83 HG12 ILE 10 HG12 ILE 10 15.552 2.990 28.166 84 HG13 ILE 10 HG13 ILE 10 14.351 1.738 28.410 85 HG21 ILE 10 HG21 ILE 10 16.736 3.647 31.226 86 HG22 ILE 10 HG22 ILE 10 15.774 4.577 30.052 87 HG23 ILE 10 HG23 ILE 10 15.078 4.147 31.633 88 HD11 ILE 10 HD11 ILE 10 13.087 3.795 29.673 89 HD12 ILE 10 HD12 ILE 10 14.041 4.711 28.481 90 HD13 ILE 10 HD13 ILE 10 12.898 3.460 27.935 91 H ARG 11 HN ARG 11 17.489 2.171 32.466 92 HA ARG 11 HA ARG 11 17.785 1.458 34.483 93 HB2 ARG 11 HB2 ARG 11 14.975 0.505 33.936 94 HB3 ARG 11 HB3 ARG 11 15.748 -0.086 35.394 95 HG2 ARG 11 HG2 ARG 11 15.164 1.863 36.397 96 HG3 ARG 11 HG3 ARG 11 16.352 2.666 35.389 97 HD2 ARG 11 HD2 ARG 11 14.722 3.280 33.744 98 HD3 ARG 11 HD3 ARG 11 13.558 2.106 34.327 99 HE ARG 11 HE ARG 11 14.171 3.952 36.443 100 HH11 ARG 11 HH22 ARG 11 12.425 3.806 33.364 101 HH12 ARG 11 HH21 ARG 11 11.305 5.054 33.798 102 HH22 ARG 11 HH1 ARG 11 11.481 6.094 35.950 103 H GLY 12 HN GLY 12 15.851 -1.449 33.537 104 HA2 GLY 12 HA1 GLY 12 18.207 -3.060 33.086 105 HA3 GLY 12 HA2 GLY 12 17.396 -3.388 34.604 106 H VAL 13 HN VAL 13 15.535 -2.192 31.827 107 HA VAL 13 HA VAL 13 14.473 -4.910 31.473 108 HB VAL 13 HB VAL 13 12.977 -2.284 31.341 109 HG11 VAL 13 HG11 VAL 13 11.934 -3.810 29.848 110 HG12 VAL 13 HG12 VAL 13 12.114 -5.166 30.987 111 HG13 VAL 13 HG13 VAL 13 10.971 -3.849 31.344 112 HG21 VAL 13 HG21 VAL 13 11.924 -3.940 33.371 113 HG22 VAL 13 HG22 VAL 13 13.690 -3.944 33.595 114 HG23 VAL 13 HG23 VAL 13 12.800 -2.402 33.561 115 H LEU 14 HN LEU 14 13.682 -5.398 29.288 116 HA LEU 14 HA LEU 14 14.631 -3.549 27.242 117 HB2 LEU 14 HB2 LEU 14 16.506 -5.006 27.606 118 HB3 LEU 14 HB3 LEU 14 15.488 -6.430 27.513 119 HG LEU 14 HG LEU 14 15.300 -6.337 25.212 120 HD11 LEU 14 HD11 LEU 14 15.901 -3.383 25.422 121 HD12 LEU 14 HD12 LEU 14 15.887 -4.263 23.875 122 HD13 LEU 14 HD13 LEU 14 14.409 -4.177 24.863 123 HD21 LEU 14 HD21 LEU 14 18.017 -5.179 25.876 124 HD22 LEU 14 HD22 LEU 14 17.569 -6.895 25.731 125 HD23 LEU 14 HD23 LEU 14 17.572 -5.851 24.289 126 H VAL 15 HN VAL 15 12.853 -3.103 26.064 127 HA VAL 15 HA VAL 15 10.962 -5.314 25.652 128 HB VAL 15 HB VAL 15 10.233 -2.434 25.313 129 HG11 VAL 15 HG11 VAL 15 8.147 -3.237 25.202 130 HG12 VAL 15 HG12 VAL 15 8.874 -4.859 25.108 131 HG13 VAL 15 HG13 VAL 15 8.360 -4.204 26.681 132 HG21 VAL 15 HG21 VAL 15 11.021 -3.717 27.858 133 HG22 VAL 15 HG22 VAL 15 10.908 -1.995 27.423 134 HG23 VAL 15 HG23 VAL 15 9.443 -2.894 27.885 135 H ARG 16 HN ARG 16 11.842 -6.218 23.778 136 HA ARG 16 HA ARG 16 12.475 -4.408 21.640 137 HB2 ARG 16 HB2 ARG 16 12.734 -7.432 21.976 138 HB3 ARG 16 HB3 ARG 16 13.107 -6.629 20.463 139 HG2 ARG 16 HG2 ARG 16 14.731 -5.133 21.753 140 HG3 ARG 16 HG3 ARG 16 14.448 -6.137 23.161 141 HD2 ARG 16 HD2 ARG 16 16.319 -6.610 21.080 142 HD3 ARG 16 HD3 ARG 16 15.931 -7.683 22.409 143 HE ARG 16 HE ARG 16 14.500 -8.939 20.988 144 HH11 ARG 16 HH22 ARG 16 15.711 -6.058 19.317 145 HH12 ARG 16 HH21 ARG 16 15.200 -6.599 17.753 146 HH22 ARG 16 HH1 ARG 16 14.094 -8.715 17.545 147 H TYR 17 HN TYR 17 10.595 -3.638 20.649 148 HA TYR 17 HA TYR 17 8.396 -5.481 20.212 149 HB2 TYR 17 HB2 TYR 17 8.589 -2.846 20.918 150 HB3 TYR 17 HB3 TYR 17 8.638 -2.624 19.180 151 HD1 TYR 17 HD2 TYR 17 6.586 -4.226 21.869 152 HD2 TYR 17 HD1 TYR 17 6.643 -2.499 17.955 153 HE1 TYR 17 HE2 TYR 17 4.048 -4.335 21.776 154 HE2 TYR 17 HE1 TYR 17 4.105 -2.614 17.876 155 HH TYR 17 HH TYR 17 2.312 -3.437 18.833 156 H ARG 18 HN ARG 18 7.365 -5.653 18.051 157 HA ARG 18 HA ARG 18 9.057 -4.952 15.852 158 HB2 ARG 18 HB2 ARG 18 8.709 -7.463 15.011 159 HB3 ARG 18 HB3 ARG 18 10.059 -7.058 16.052 160 HG2 ARG 18 HG2 ARG 18 8.579 -7.672 18.053 161 HG3 ARG 18 HG3 ARG 18 7.393 -8.270 16.910 162 HD2 ARG 18 HD2 ARG 18 10.199 -9.269 16.536 163 HD3 ARG 18 HD3 ARG 18 9.367 -9.833 17.971 164 HE ARG 18 HE ARG 18 7.460 -10.252 16.061 165 HH11 ARG 18 HH22 ARG 18 10.906 -11.074 16.132 166 HH12 ARG 18 HH21 ARG 18 10.722 -12.466 15.118 167 HH22 ARG 18 HH1 ARG 18 8.544 -13.043 14.301 168 H ARG 19 HN ARG 19 7.867 -5.965 13.706 169 HA ARG 19 HA ARG 19 5.193 -6.551 13.848 170 HB2 ARG 19 HB2 ARG 19 5.342 -3.985 14.613 171 HB3 ARG 19 HB3 ARG 19 5.468 -3.689 12.891 172 HG2 ARG 19 HG2 ARG 19 3.289 -5.552 13.820 173 HG3 ARG 19 HG3 ARG 19 3.083 -3.843 14.150 174 HD2 ARG 19 HD2 ARG 19 4.011 -4.299 11.393 175 HD3 ARG 19 HD3 ARG 19 2.520 -5.161 11.717 176 HE ARG 19 HE ARG 19 2.317 -2.487 12.760 177 HH11 ARG 19 HH22 ARG 19 2.337 -4.234 9.678 178 HH12 ARG 19 HH21 ARG 19 1.394 -3.038 8.852 179 HH22 ARG 19 HH1 ARG 19 0.662 -1.092 10.044 180 H CYS 20 HN CYS 20 4.173 -6.525 11.605 181 HA CYS 20 HA CYS 20 6.052 -5.972 9.470 182 HB2 CYS 20 HB2 CYS 20 5.094 -8.708 10.215 183 HB3 CYS 20 HB3 CYS 20 5.298 -8.314 8.520 184 H TRP 21 HN TRP 21 4.884 -6.006 7.318 185 HA TRP 21 HA TRP 21 2.140 -5.127 7.724 186 HB2 TRP 21 HB2 TRP 21 3.278 -3.558 6.481 187 HB3 TRP 21 HB3 TRP 21 4.216 -4.752 5.607 188 HD1 TRP 21 HD1 TRP 21 1.031 -2.741 5.321 189 HE1 TRP 21 HE1 TRP 21 -0.269 -3.231 3.077 190 HE3 TRP 21 HE3 TRP 21 3.777 -6.814 4.005 191 HZ2 TRP 21 HZ2 TRP 21 -0.008 -5.223 1.049 192 HZ3 TRP 21 HZ3 TRP 21 3.189 -7.973 1.878 193 HH2 TRP 21 HH2 TRP 21 1.369 -7.239 0.421 194 H1 ARG 31 HN ARG 31 6.110 -0.741 6.154 195 HA ARG 31 HA ARG 31 8.138 0.181 4.290 196 HB2 ARG 31 HB2 ARG 31 6.722 1.742 6.477 197 HB3 ARG 31 HB3 ARG 31 8.361 2.175 6.033 198 HG2 ARG 31 HG2 ARG 31 7.274 3.507 4.497 199 HG3 ARG 31 HG3 ARG 31 7.308 2.039 3.540 200 HD2 ARG 31 HD2 ARG 31 5.029 2.988 3.543 201 HD3 ARG 31 HD3 ARG 31 5.028 1.436 4.356 202 HE ARG 31 HE ARG 31 5.442 3.741 6.142 203 HH11 ARG 31 HH22 ARG 31 3.065 1.557 4.680 204 HH12 ARG 31 HH21 ARG 31 1.856 1.868 5.882 205 HH22 ARG 31 HH1 ARG 31 2.338 3.397 7.663 206 H TRP 32 HN TRP 32 10.040 1.189 6.013 207 HA TRP 32 HA TRP 32 10.518 -1.063 7.844 208 HB2 TRP 32 HB2 TRP 32 12.251 0.333 5.879 209 HB3 TRP 32 HB3 TRP 32 12.986 -0.098 7.410 210 HD1 TRP 32 HD1 TRP 32 12.254 -1.584 4.094 211 HE1 TRP 32 HE1 TRP 32 12.632 -4.194 4.006 212 HE3 TRP 32 HE3 TRP 32 12.541 -2.239 9.128 213 HZ2 TRP 32 HZ2 TRP 32 13.000 -6.195 6.008 214 HZ3 TRP 32 HZ3 TRP 32 12.911 -4.553 9.979 215 HH2 TRP 32 HH2 TRP 32 13.138 -6.492 8.508 216 H CYS 33 HN CYS 33 9.464 -0.021 9.631 217 HA CYS 33 HA CYS 33 10.377 2.628 10.328 218 HB2 CYS 33 HB2 CYS 33 8.161 0.837 11.159 219 HB3 CYS 33 HB3 CYS 33 8.787 1.922 12.385 220 H VAL 34 HN VAL 34 11.367 3.055 12.473 221 HA VAL 34 HA VAL 34 12.372 0.754 13.906 222 HB VAL 34 HB VAL 34 14.687 1.377 13.705 223 HG11 VAL 34 HG11 VAL 34 13.599 -0.142 11.995 224 HG12 VAL 34 HG12 VAL 34 13.554 1.257 10.896 225 HG13 VAL 34 HG13 VAL 34 15.116 0.633 11.479 226 HG21 VAL 34 HG21 VAL 34 15.197 3.107 11.778 227 HG22 VAL 34 HG22 VAL 34 13.583 3.727 12.201 228 HG23 VAL 34 HG23 VAL 34 14.863 3.661 13.436 229 H TYR 35 HN TYR 35 12.022 1.199 16.014 230 HA TYR 35 HA TYR 35 12.533 3.922 16.931 231 HB2 TYR 35 HB2 TYR 35 10.008 3.200 16.267 232 HB3 TYR 35 HB3 TYR 35 10.072 2.321 17.782 233 HD1 TYR 35 HD2 TYR 35 11.081 5.753 16.612 234 HD2 TYR 35 HD1 TYR 35 9.037 3.401 19.543 235 HE1 TYR 35 HE2 TYR 35 10.442 7.866 17.873 236 HE2 TYR 35 HE1 TYR 35 8.405 5.522 20.794 237 HH TYR 35 HH TYR 35 8.745 7.673 20.971 238 H ALA 36 HN ALA 36 14.015 3.693 18.527 239 HA ALA 36 HA ALA 36 13.535 1.556 20.473 240 HB1 ALA 36 HB1 ALA 36 16.147 1.409 20.497 241 HB2 ALA 36 HB2 ALA 36 15.247 0.568 19.212 242 HB3 ALA 36 HB3 ALA 36 16.033 2.129 18.873 243 H TYR 37 HN TYR 37 14.627 2.010 22.587 244 HA TYR 37 HA TYR 37 15.388 4.799 22.945 245 HB2 TYR 37 HB2 TYR 37 12.814 4.263 23.275 246 HB3 TYR 37 HB3 TYR 37 13.314 3.321 24.665 247 HD1 TYR 37 HD2 TYR 37 14.558 4.510 26.560 248 HD2 TYR 37 HD1 TYR 37 12.538 6.611 23.428 249 HE1 TYR 37 HE2 TYR 37 14.508 6.610 27.991 250 HE2 TYR 37 HE1 TYR 37 12.494 8.704 24.870 251 HH TYR 37 HH TYR 37 12.735 8.793 27.922 252 H VAL 38 HN VAL 38 17.509 3.718 23.217 253 HA VAL 38 HA VAL 38 17.685 2.177 25.699 254 HB VAL 38 HB VAL 38 19.595 2.537 23.382 255 HG11 VAL 38 HG11 VAL 38 20.953 2.257 25.314 256 HG12 VAL 38 HG12 VAL 38 19.879 1.004 25.979 257 HG13 VAL 38 HG13 VAL 38 20.860 0.659 24.535 258 HG21 VAL 38 HG21 VAL 38 18.146 1.034 22.491 259 HG22 VAL 38 HG22 VAL 38 19.079 -0.113 23.483 260 HG23 VAL 38 HG23 VAL 38 17.526 0.522 24.080 261 H ARG 39 HN ARG 39 18.927 2.884 27.444 262 HA ARG 39 HA ARG 39 20.192 5.470 27.067 263 HB2 ARG 39 HB2 ARG 39 17.856 5.539 28.239 264 HB3 ARG 39 HB3 ARG 39 18.644 4.762 29.598 265 HG2 ARG 39 HG2 ARG 39 20.295 6.635 29.719 266 HG3 ARG 39 HG3 ARG 39 19.525 7.409 28.349 267 HD2 ARG 39 HD2 ARG 39 18.209 8.486 29.868 268 HD3 ARG 39 HD3 ARG 39 17.367 6.962 30.068 269 HE ARG 39 HE ARG 39 19.531 6.679 31.760 270 HH11 ARG 39 HH22 ARG 39 17.052 9.187 31.407 271 HH12 ARG 39 HH21 ARG 39 17.102 9.645 33.077 272 HH22 ARG 39 HH1 ARG 39 18.605 8.513 34.561 273 H ILE 40 HN ILE 40 22.223 5.634 28.065 274 HA ILE 40 HA ILE 40 22.895 3.612 30.059 275 HB ILE 40 HB ILE 40 24.438 4.143 27.520 276 HG12 ILE 40 HG12 ILE 40 24.053 1.392 27.945 277 HG13 ILE 40 HG13 ILE 40 22.508 2.128 28.322 278 HG21 ILE 40 HG21 ILE 40 25.235 2.631 30.017 279 HG22 ILE 40 HG22 ILE 40 26.040 2.441 28.441 280 HG23 ILE 40 HG23 ILE 40 26.056 4.020 29.263 281 HD11 ILE 40 HD11 ILE 40 22.471 3.288 26.152 282 HD12 ILE 40 HD12 ILE 40 24.100 2.677 25.774 283 HD13 ILE 40 HD13 ILE 40 22.731 1.546 25.896 284 H ARG 41 HN ARG 41 25.001 4.205 31.198 285 HA ARG 41 HA ARG 41 25.845 5.670 32.587 286 HB2 ARG 41 HB2 ARG 41 26.459 6.872 29.854 287 HB3 ARG 41 HB3 ARG 41 27.125 7.573 31.316 288 HG2 ARG 41 HG2 ARG 41 27.448 4.630 30.569 289 HG3 ARG 41 HG3 ARG 41 28.624 5.862 30.157 290 HD2 ARG 41 HD2 ARG 41 27.823 4.886 32.924 291 HD3 ARG 41 HD3 ARG 41 29.421 4.903 32.204 292 HE ARG 41 HE ARG 41 28.087 7.138 33.533 293 HH11 ARG 41 HH22 ARG 41 30.566 6.286 31.149 294 HH12 ARG 41 HH21 ARG 41 31.432 7.775 31.335 295 HH22 ARG 41 HH1 ARG 41 30.628 9.415 32.886 296 H GLY 42 HN GLY 42 25.215 8.303 30.238 297 HA2 GLY 42 HA1 GLY 42 22.929 9.276 31.771 298 HA3 GLY 42 HA2 GLY 42 24.379 10.260 31.805 299 H VAL 43 HN VAL 43 23.276 8.231 29.040 300 HA VAL 43 HA VAL 43 22.476 10.656 27.628 301 HB VAL 43 HB VAL 43 24.183 8.695 26.176 302 HG11 VAL 43 HG11 VAL 43 24.850 11.390 25.615 303 HG12 VAL 43 HG12 VAL 43 23.921 10.256 24.605 304 HG13 VAL 43 HG13 VAL 43 23.076 11.321 25.754 305 HG21 VAL 43 HG21 VAL 43 25.450 9.086 28.249 306 HG22 VAL 43 HG22 VAL 43 26.246 9.835 26.844 307 HG23 VAL 43 HG23 VAL 43 25.331 10.843 27.991 308 H LEU 44 HN LEU 44 20.564 10.344 26.597 309 HA LEU 44 HA LEU 44 19.655 7.573 26.380 310 HB2 LEU 44 HB2 LEU 44 18.029 8.593 27.561 311 HB3 LEU 44 HB3 LEU 44 18.374 10.181 26.905 312 HG LEU 44 HG LEU 44 17.225 9.550 24.799 313 HD11 LEU 44 HD11 LEU 44 17.242 6.911 26.066 314 HD12 LEU 44 HD12 LEU 44 15.647 7.383 25.431 315 HD13 LEU 44 HD13 LEU 44 17.065 7.368 24.355 316 HD21 LEU 44 HD21 LEU 44 14.918 9.542 25.742 317 HD22 LEU 44 HD22 LEU 44 15.623 9.296 27.357 318 HD23 LEU 44 HD23 LEU 44 15.985 10.781 26.445 319 H VAL 45 HN VAL 45 19.693 6.587 24.437 320 HA VAL 45 HA VAL 45 19.956 8.323 22.091 321 HB VAL 45 HB VAL 45 20.499 5.366 22.213 322 HG11 VAL 45 HG11 VAL 45 21.092 7.623 20.341 323 HG12 VAL 45 HG12 VAL 45 22.281 6.306 20.474 324 HG13 VAL 45 HG13 VAL 45 20.605 5.945 19.997 325 HG21 VAL 45 HG21 VAL 45 21.998 5.896 23.851 326 HG22 VAL 45 HG22 VAL 45 22.984 6.340 22.437 327 HG23 VAL 45 HG23 VAL 45 22.118 7.599 23.349 328 H ARG 46 HN ARG 46 17.981 8.779 21.237 329 HA ARG 46 HA ARG 46 16.091 6.570 21.185 330 HB2 ARG 46 HB2 ARG 46 15.501 9.546 20.806 331 HB3 ARG 46 HB3 ARG 46 14.317 8.270 21.009 332 HG2 ARG 46 HG2 ARG 46 14.949 7.898 23.304 333 HG3 ARG 46 HG3 ARG 46 16.435 8.811 23.128 334 HD2 ARG 46 HD2 ARG 46 14.114 10.459 22.414 335 HD3 ARG 46 HD3 ARG 46 13.931 9.795 24.025 336 HE ARG 46 HE ARG 46 16.601 10.898 23.537 337 HH11 ARG 46 HH22 ARG 46 13.303 11.674 24.575 338 HH12 ARG 46 HH21 ARG 46 13.780 13.086 25.457 339 HH22 ARG 46 HH1 ARG 46 16.094 13.706 25.517 340 H TYR 47 HN TYR 47 15.980 5.563 19.203 341 HA TYR 47 HA TYR 47 16.716 7.132 16.844 342 HB2 TYR 47 HB2 TYR 47 17.849 4.930 17.403 343 HB3 TYR 47 HB3 TYR 47 16.286 4.140 17.452 344 HD1 TYR 47 HD2 TYR 47 17.037 6.667 14.880 345 HD2 TYR 47 HD1 TYR 47 16.926 2.486 15.780 346 HE1 TYR 47 HE2 TYR 47 17.232 6.122 12.405 347 HE2 TYR 47 HE1 TYR 47 17.122 1.955 13.302 348 HH TYR 47 HH TYR 47 17.651 2.807 11.317 349 H ARG 48 HN ARG 48 15.300 7.518 15.159 350 HA ARG 48 HA ARG 48 12.817 6.090 15.149 351 HB2 ARG 48 HB2 ARG 48 11.541 8.339 14.950 352 HB3 ARG 48 HB3 ARG 48 12.081 7.883 16.554 353 HG2 ARG 48 HG2 ARG 48 14.285 9.253 15.784 354 HG3 ARG 48 HG3 ARG 48 13.124 10.046 14.738 355 HD2 ARG 48 HD2 ARG 48 11.722 10.056 17.104 356 HD3 ARG 48 HD3 ARG 48 13.361 10.131 17.720 357 HE ARG 48 HE ARG 48 11.968 12.215 16.197 358 HH11 ARG 48 HH22 ARG 48 15.139 10.985 17.190 359 HH12 ARG 48 HH21 ARG 48 15.935 12.508 16.974 360 HH22 ARG 48 HH1 ARG 48 14.669 14.398 16.223 361 H ARG 49 HN ARG 49 12.277 5.667 13.016 362 HA ARG 49 HA ARG 49 12.523 7.551 11.010 363 HB2 ARG 49 HB2 ARG 49 15.020 6.729 11.496 364 HB3 ARG 49 HB3 ARG 49 14.536 5.328 10.562 365 HG2 ARG 49 HG2 ARG 49 13.998 8.108 9.477 366 HG3 ARG 49 HG3 ARG 49 15.605 7.422 9.340 367 HD2 ARG 49 HD2 ARG 49 13.688 5.401 8.541 368 HD3 ARG 49 HD3 ARG 49 13.304 6.887 7.694 369 HE ARG 49 HE ARG 49 15.704 5.248 7.343 370 HH11 ARG 49 HH22 ARG 49 14.345 8.493 6.930 371 HH12 ARG 49 HH21 ARG 49 15.473 8.944 5.697 372 HH22 ARG 49 HH1 ARG 49 17.140 7.370 4.998 373 H CYS 50 HN CYS 50 11.801 6.636 8.878 374 HA CYS 50 HA CYS 50 11.005 3.863 8.924 375 HB2 CYS 50 HB2 CYS 50 8.955 6.073 8.667 376 HB3 CYS 50 HB3 CYS 50 8.659 4.375 8.349 377 H TRP 51 HN TRP 51 10.780 3.052 6.765 378 HA TRP 51 HA TRP 51 11.519 5.011 4.700 379 HB2 TRP 51 HB2 TRP 51 12.364 2.215 5.253 380 HB3 TRP 51 HB3 TRP 51 12.163 2.669 3.572 381 HD1 TRP 51 HD1 TRP 51 13.545 5.280 3.104 382 HE1 TRP 51 HE1 TRP 51 16.049 5.886 3.675 383 HE3 TRP 51 HE3 TRP 51 14.163 1.672 6.634 384 HZ2 TRP 51 HZ2 TRP 51 17.964 4.812 5.499 385 HZ3 TRP 51 HZ3 TRP 51 16.381 1.519 7.762 386 HH2 TRP 51 HH2 TRP 51 18.244 3.015 7.245 Start of MODEL 3 1 H1 ARG 1 HN ARG 1 10.173 -6.861 1.824 2 HA ARG 1 HA ARG 1 7.418 -5.987 1.466 3 HB2 ARG 1 HB2 ARG 1 8.622 -8.122 3.221 4 HB3 ARG 1 HB3 ARG 1 7.287 -7.206 3.891 5 HG2 ARG 1 HG2 ARG 1 7.234 -8.685 1.217 6 HG3 ARG 1 HG3 ARG 1 6.515 -9.269 2.704 7 HD2 ARG 1 HD2 ARG 1 4.629 -8.081 2.279 8 HD3 ARG 1 HD3 ARG 1 5.548 -6.588 2.295 9 HE ARG 1 HE ARG 1 5.553 -6.582 -0.051 10 HH11 ARG 1 HH22 ARG 1 4.601 -9.797 1.092 11 HH12 ARG 1 HH21 ARG 1 4.164 -10.365 -0.485 12 HH22 ARG 1 HH1 ARG 1 4.393 -8.897 -2.366 13 H TRP 2 HN TRP 2 6.588 -5.080 3.794 14 HA TRP 2 HA TRP 2 8.650 -3.167 4.621 15 HB2 TRP 2 HB2 TRP 2 5.777 -2.815 5.318 16 HB3 TRP 2 HB3 TRP 2 7.013 -1.618 4.988 17 HD1 TRP 2 HD1 TRP 2 3.969 -2.220 3.496 18 HE1 TRP 2 HE1 TRP 2 3.831 -2.048 0.866 19 HE3 TRP 2 HE3 TRP 2 8.963 -2.715 2.676 20 HZ2 TRP 2 HZ2 TRP 2 5.782 -2.136 -1.215 21 HZ3 TRP 2 HZ3 TRP 2 9.763 -2.662 0.316 22 HH2 TRP 2 HH2 TRP 2 8.263 -2.384 -1.593 23 H CYS 3 HN CYS 3 9.539 -3.418 6.631 24 HA CYS 3 HA CYS 3 7.993 -5.005 8.548 25 HB2 CYS 3 HB2 CYS 3 10.806 -5.325 7.643 26 HB3 CYS 3 HB3 CYS 3 10.502 -5.518 9.358 27 H VAL 4 HN VAL 4 8.904 -4.538 10.888 28 HA VAL 4 HA VAL 4 10.089 -1.914 11.146 29 HB VAL 4 HB VAL 4 8.333 -0.853 12.194 30 HG11 VAL 4 HG11 VAL 4 6.365 -1.059 10.727 31 HG12 VAL 4 HG12 VAL 4 7.883 -1.075 9.798 32 HG13 VAL 4 HG13 VAL 4 7.003 -2.595 10.090 33 HG21 VAL 4 HG21 VAL 4 6.162 -2.244 12.739 34 HG22 VAL 4 HG22 VAL 4 7.296 -3.616 12.747 35 HG23 VAL 4 HG23 VAL 4 7.546 -2.247 13.858 36 H TYR 5 HN TYR 5 11.548 -2.008 12.777 37 HA TYR 5 HA TYR 5 11.094 -4.073 14.826 38 HB2 TYR 5 HB2 TYR 5 13.473 -3.114 13.173 39 HB3 TYR 5 HB3 TYR 5 13.795 -3.730 14.782 40 HD1 TYR 5 HD2 TYR 5 11.817 -5.957 14.957 41 HD2 TYR 5 HD1 TYR 5 14.363 -4.742 11.740 42 HE1 TYR 5 HE2 TYR 5 11.809 -8.330 14.044 43 HE2 TYR 5 HE1 TYR 5 14.347 -7.119 10.839 44 HH TYR 5 HH TYR 5 12.517 -9.669 12.512 45 H ALA 6 HN ALA 6 11.368 -3.481 16.969 46 HA ALA 6 HA ALA 6 12.356 -0.759 17.438 47 HB1 ALA 6 HB1 ALA 6 10.276 -1.481 19.314 48 HB2 ALA 6 HB2 ALA 6 10.355 -0.089 18.207 49 HB3 ALA 6 HB3 ALA 6 9.662 -1.631 17.650 50 H TYR 7 HN TYR 7 13.520 -0.491 19.391 51 HA TYR 7 HA TYR 7 13.796 -2.858 21.074 52 HB2 TYR 7 HB2 TYR 7 15.617 -3.060 19.440 53 HB3 TYR 7 HB3 TYR 7 15.902 -1.331 19.446 54 HD1 TYR 7 HD2 TYR 7 15.382 -2.878 22.693 55 HD2 TYR 7 HD1 TYR 7 18.329 -1.885 19.755 56 HE1 TYR 7 HE2 TYR 7 17.220 -3.183 24.423 57 HE2 TYR 7 HE1 TYR 7 20.157 -2.194 21.495 58 HH TYR 7 HH TYR 7 19.702 -3.791 24.322 59 H VAL 8 HN VAL 8 13.172 -2.058 23.029 60 HA VAL 8 HA VAL 8 14.206 0.597 23.745 61 HB VAL 8 HB VAL 8 11.792 -0.893 24.796 62 HG11 VAL 8 HG11 VAL 8 13.229 1.514 25.682 63 HG12 VAL 8 HG12 VAL 8 11.486 1.772 25.432 64 HG13 VAL 8 HG13 VAL 8 12.046 0.499 26.542 65 HG21 VAL 8 HG21 VAL 8 10.578 -0.041 23.129 66 HG22 VAL 8 HG22 VAL 8 11.212 1.594 23.434 67 HG23 VAL 8 HG23 VAL 8 12.093 0.484 22.358 68 H ARG 9 HN ARG 9 15.200 0.879 25.797 69 HA ARG 9 HA ARG 9 15.402 -1.358 27.523 70 HB2 ARG 9 HB2 ARG 9 17.201 -2.193 26.281 71 HB3 ARG 9 HB3 ARG 9 17.660 -0.613 25.677 72 HG2 ARG 9 HG2 ARG 9 18.603 0.004 27.875 73 HG3 ARG 9 HG3 ARG 9 18.037 -1.500 28.576 74 HD2 ARG 9 HD2 ARG 9 19.466 -2.598 26.594 75 HD3 ARG 9 HD3 ARG 9 20.297 -1.055 26.615 76 HE ARG 9 HE ARG 9 20.506 -3.144 28.613 77 HH11 ARG 9 HH22 ARG 9 20.601 0.376 28.221 78 HH12 ARG 9 HH21 ARG 9 21.587 0.630 29.623 79 HH22 ARG 9 HH1 ARG 9 22.284 -1.258 30.925 80 H ILE 10 HN ILE 10 15.138 -0.341 29.486 81 HA ILE 10 HA ILE 10 16.819 1.963 30.047 82 HB ILE 10 HB ILE 10 13.933 2.172 30.774 83 HG12 ILE 10 HG12 ILE 10 15.056 2.919 28.058 84 HG13 ILE 10 HG13 ILE 10 13.889 1.652 28.376 85 HG21 ILE 10 HG21 ILE 10 15.420 4.537 29.884 86 HG22 ILE 10 HG22 ILE 10 14.467 4.260 31.362 87 HG23 ILE 10 HG23 ILE 10 16.157 3.706 31.275 88 HD11 ILE 10 HD11 ILE 10 13.429 4.494 28.029 89 HD12 ILE 10 HD12 ILE 10 12.235 3.183 28.180 90 HD13 ILE 10 HD13 ILE 10 12.857 3.993 29.638 91 H ARG 11 HN ARG 11 17.130 2.313 32.345 92 HA ARG 11 HA ARG 11 17.513 1.627 34.356 93 HB2 ARG 11 HB2 ARG 11 14.719 0.618 33.885 94 HB3 ARG 11 HB3 ARG 11 15.539 -0.005 35.303 95 HG2 ARG 11 HG2 ARG 11 14.989 1.908 36.387 96 HG3 ARG 11 HG3 ARG 11 16.099 2.766 35.338 97 HD2 ARG 11 HD2 ARG 11 14.373 3.391 33.808 98 HD3 ARG 11 HD3 ARG 11 13.278 2.153 34.391 99 HE ARG 11 HE ARG 11 13.707 3.731 36.633 100 HH11 ARG 11 HH22 ARG 11 12.616 4.404 33.329 101 HH12 ARG 11 HH21 ARG 11 11.648 5.764 33.793 102 HH22 ARG 11 HH1 ARG 11 11.553 6.404 36.101 103 H GLY 12 HN GLY 12 15.652 -1.360 33.539 104 HA2 GLY 12 HA1 GLY 12 18.030 -2.900 32.991 105 HA3 GLY 12 HA2 GLY 12 17.334 -3.214 34.568 106 H VAL 13 HN VAL 13 15.259 -2.165 31.882 107 HA VAL 13 HA VAL 13 14.275 -4.927 31.673 108 HB VAL 13 HB VAL 13 12.669 -2.367 31.558 109 HG11 VAL 13 HG11 VAL 13 10.909 -4.423 32.019 110 HG12 VAL 13 HG12 VAL 13 11.242 -3.695 30.430 111 HG13 VAL 13 HG13 VAL 13 12.084 -5.184 30.919 112 HG21 VAL 13 HG21 VAL 13 13.206 -2.528 33.816 113 HG22 VAL 13 HG22 VAL 13 11.674 -3.428 33.724 114 HG23 VAL 13 HG23 VAL 13 13.220 -4.308 33.795 115 H LEU 14 HN LEU 14 14.316 -5.775 29.648 116 HA LEU 14 HA LEU 14 14.938 -3.907 27.484 117 HB2 LEU 14 HB2 LEU 14 16.567 -5.648 27.870 118 HB3 LEU 14 HB3 LEU 14 15.333 -6.888 27.762 119 HG LEU 14 HG LEU 14 15.255 -6.834 25.484 120 HD11 LEU 14 HD11 LEU 14 16.023 -4.749 24.162 121 HD12 LEU 14 HD12 LEU 14 14.456 -4.704 25.006 122 HD13 LEU 14 HD13 LEU 14 15.875 -3.899 25.718 123 HD21 LEU 14 HD21 LEU 14 18.024 -5.743 26.054 124 HD22 LEU 14 HD22 LEU 14 17.523 -7.451 26.060 125 HD23 LEU 14 HD23 LEU 14 17.518 -6.526 24.538 126 H VAL 15 HN VAL 15 13.242 -3.227 26.298 127 HA VAL 15 HA VAL 15 11.075 -5.168 25.879 128 HB VAL 15 HB VAL 15 10.719 -2.182 25.879 129 HG11 VAL 15 HG11 VAL 15 8.533 -2.622 25.617 130 HG12 VAL 15 HG12 VAL 15 9.051 -4.264 25.166 131 HG13 VAL 15 HG13 VAL 15 8.553 -3.916 26.839 132 HG21 VAL 15 HG21 VAL 15 11.252 -3.906 28.188 133 HG22 VAL 15 HG22 VAL 15 11.218 -2.131 28.066 134 HG23 VAL 15 HG23 VAL 15 9.705 -3.035 28.312 135 H ARG 16 HN ARG 16 11.864 -6.001 23.922 136 HA ARG 16 HA ARG 16 12.385 -4.017 21.875 137 HB2 ARG 16 HB2 ARG 16 12.898 -7.034 21.842 138 HB3 ARG 16 HB3 ARG 16 13.416 -5.902 20.608 139 HG2 ARG 16 HG2 ARG 16 14.529 -4.674 22.751 140 HG3 ARG 16 HG3 ARG 16 14.488 -6.305 23.392 141 HD2 ARG 16 HD2 ARG 16 16.633 -5.729 22.160 142 HD3 ARG 16 HD3 ARG 16 15.826 -7.162 21.555 143 HE ARG 16 HE ARG 16 14.944 -4.771 20.152 144 HH11 ARG 16 HH22 ARG 16 17.553 -7.164 20.303 145 HH12 ARG 16 HH21 ARG 16 18.030 -6.930 18.654 146 HH22 ARG 16 HH1 ARG 16 16.853 -5.337 17.306 147 H TYR 17 HN TYR 17 10.732 -3.567 20.454 148 HA TYR 17 HA TYR 17 8.552 -5.503 20.262 149 HB2 TYR 17 HB2 TYR 17 8.623 -2.804 20.703 150 HB3 TYR 17 HB3 TYR 17 8.695 -2.756 18.953 151 HD1 TYR 17 HD1 TYR 17 6.625 -3.795 21.846 152 HD2 TYR 17 HD2 TYR 17 6.757 -3.215 17.609 153 HE1 TYR 17 HE1 TYR 17 4.096 -4.024 21.729 154 HE2 TYR 17 HE2 TYR 17 4.227 -3.447 17.506 155 HH TYR 17 HH TYR 17 2.443 -4.779 19.859 156 H ARG 18 HN ARG 18 7.582 -5.944 18.115 157 HA ARG 18 HA ARG 18 9.290 -5.386 15.885 158 HB2 ARG 18 HB2 ARG 18 9.061 -7.983 15.296 159 HB3 ARG 18 HB3 ARG 18 10.375 -7.416 16.308 160 HG2 ARG 18 HG2 ARG 18 9.119 -8.004 18.350 161 HG3 ARG 18 HG3 ARG 18 7.713 -8.443 17.400 162 HD2 ARG 18 HD2 ARG 18 8.534 -10.560 17.300 163 HD3 ARG 18 HD3 ARG 18 9.809 -9.958 16.260 164 HE ARG 18 HE ARG 18 10.384 -9.490 19.081 165 HH11 ARG 18 HH22 ARG 18 10.548 -11.913 16.501 166 HH12 ARG 18 HH21 ARG 18 11.831 -12.803 17.249 167 HH22 ARG 18 HH1 ARG 18 12.714 -12.051 19.346 168 H ARG 19 HN ARG 19 8.198 -6.033 13.777 169 HA ARG 19 HA ARG 19 5.676 -7.103 13.713 170 HB2 ARG 19 HB2 ARG 19 5.329 -4.741 14.913 171 HB3 ARG 19 HB3 ARG 19 5.444 -4.110 13.282 172 HG2 ARG 19 HG2 ARG 19 3.613 -6.461 13.738 173 HG3 ARG 19 HG3 ARG 19 3.094 -4.902 14.347 174 HD2 ARG 19 HD2 ARG 19 4.089 -4.412 11.714 175 HD3 ARG 19 HD3 ARG 19 3.125 -5.871 11.595 176 HE ARG 19 HE ARG 19 1.261 -4.490 11.760 177 HH11 ARG 19 HH22 ARG 19 3.860 -3.040 13.684 178 HH12 ARG 19 HH21 ARG 19 2.896 -1.698 14.202 179 HH22 ARG 19 HH1 ARG 19 0.623 -1.530 13.460 180 H CYS 20 HN CYS 20 4.744 -6.991 11.474 181 HA CYS 20 HA CYS 20 6.370 -5.628 9.520 182 HB2 CYS 20 HB2 CYS 20 6.174 -8.637 9.643 183 HB3 CYS 20 HB3 CYS 20 6.570 -7.773 8.171 184 H TRP 21 HN TRP 21 5.252 -5.689 7.347 185 HA TRP 21 HA TRP 21 2.366 -5.942 7.760 186 HB2 TRP 21 HB2 TRP 21 4.113 -4.206 6.093 187 HB3 TRP 21 HB3 TRP 21 2.561 -4.661 5.419 188 HD1 TRP 21 HD1 TRP 21 0.668 -2.981 6.040 189 HE1 TRP 21 HE1 TRP 21 0.113 -1.226 7.932 190 HE3 TRP 21 HE3 TRP 21 4.775 -3.953 8.875 191 HZ2 TRP 21 HZ2 TRP 21 1.426 -0.459 10.347 192 HZ3 TRP 21 HZ3 TRP 21 5.064 -2.658 10.985 193 HH2 TRP 21 HH2 TRP 21 3.471 -0.961 11.734 194 H1 ARG 31 HN ARG 31 7.552 -0.604 3.313 195 HA ARG 31 HA ARG 31 9.697 1.260 3.711 196 HB2 ARG 31 HB2 ARG 31 6.948 0.849 4.940 197 HB3 ARG 31 HB3 ARG 31 8.107 1.893 5.739 198 HG2 ARG 31 HG2 ARG 31 6.551 3.102 4.143 199 HG3 ARG 31 HG3 ARG 31 8.253 3.364 3.820 200 HD2 ARG 31 HD2 ARG 31 6.815 1.096 2.414 201 HD3 ARG 31 HD3 ARG 31 6.601 2.735 1.833 202 HE ARG 31 HE ARG 31 9.376 2.419 2.148 203 HH11 ARG 31 HH22 ARG 31 6.825 0.867 0.241 204 HH12 ARG 31 HH21 ARG 31 7.888 0.426 -1.053 205 HH22 ARG 31 HH1 ARG 31 10.209 1.006 -0.914 206 H TRP 32 HN TRP 32 10.794 1.464 5.855 207 HA TRP 32 HA TRP 32 10.666 -0.979 7.465 208 HB2 TRP 32 HB2 TRP 32 12.999 0.086 5.965 209 HB3 TRP 32 HB3 TRP 32 13.296 -0.480 7.596 210 HD1 TRP 32 HD1 TRP 32 12.424 -1.796 4.112 211 HE1 TRP 32 HE1 TRP 32 12.573 -4.428 3.998 212 HE3 TRP 32 HE3 TRP 32 12.981 -2.505 9.116 213 HZ2 TRP 32 HZ2 TRP 32 12.899 -6.465 5.970 214 HZ3 TRP 32 HZ3 TRP 32 13.208 -4.847 9.939 215 HH2 TRP 32 HH2 TRP 32 13.174 -6.789 8.455 216 H CYS 33 HN CYS 33 9.756 -0.082 9.299 217 HA CYS 33 HA CYS 33 10.613 2.556 10.104 218 HB2 CYS 33 HB2 CYS 33 8.377 0.726 10.796 219 HB3 CYS 33 HB3 CYS 33 8.931 1.805 12.061 220 H VAL 34 HN VAL 34 11.522 2.938 12.284 221 HA VAL 34 HA VAL 34 12.451 0.612 13.725 222 HB VAL 34 HB VAL 34 14.790 1.306 13.657 223 HG11 VAL 34 HG11 VAL 34 15.326 0.347 11.573 224 HG12 VAL 34 HG12 VAL 34 13.731 -0.330 11.982 225 HG13 VAL 34 HG13 VAL 34 13.860 0.992 10.797 226 HG21 VAL 34 HG21 VAL 34 14.457 3.702 13.205 227 HG22 VAL 34 HG22 VAL 34 15.586 2.968 12.041 228 HG23 VAL 34 HG23 VAL 34 13.909 3.316 11.556 229 H TYR 35 HN TYR 35 12.168 1.022 15.856 230 HA TYR 35 HA TYR 35 12.547 3.765 16.780 231 HB2 TYR 35 HB2 TYR 35 10.054 2.849 16.140 232 HB3 TYR 35 HB3 TYR 35 10.190 2.065 17.701 233 HD1 TYR 35 HD2 TYR 35 11.033 3.717 19.663 234 HD2 TYR 35 HD1 TYR 35 9.057 4.942 16.072 235 HE1 TYR 35 HE2 TYR 35 10.284 5.865 20.799 236 HE2 TYR 35 HE1 TYR 35 8.315 7.086 17.220 237 HH TYR 35 HH TYR 35 8.338 8.257 19.027 238 H ALA 36 HN ALA 36 14.092 3.576 18.325 239 HA ALA 36 HA ALA 36 13.713 1.449 20.303 240 HB1 ALA 36 HB1 ALA 36 15.405 0.528 18.914 241 HB2 ALA 36 HB2 ALA 36 16.210 2.103 18.709 242 HB3 ALA 36 HB3 ALA 36 16.281 1.264 20.277 243 H TYR 37 HN TYR 37 14.582 1.982 22.420 244 HA TYR 37 HA TYR 37 15.486 4.737 22.736 245 HB2 TYR 37 HB2 TYR 37 12.870 4.334 22.931 246 HB3 TYR 37 HB3 TYR 37 13.246 3.430 24.384 247 HD1 TYR 37 HD2 TYR 37 14.461 4.643 26.290 248 HD2 TYR 37 HD1 TYR 37 12.682 6.692 22.982 249 HE1 TYR 37 HE2 TYR 37 14.435 6.802 27.632 250 HE2 TYR 37 HE1 TYR 37 12.662 8.844 24.336 251 HH TYR 37 HH TYR 37 13.606 8.848 27.729 252 H VAL 38 HN VAL 38 17.521 3.517 23.145 253 HA VAL 38 HA VAL 38 17.473 2.095 25.705 254 HB VAL 38 HB VAL 38 19.508 2.187 23.470 255 HG11 VAL 38 HG11 VAL 38 20.591 0.304 24.754 256 HG12 VAL 38 HG12 VAL 38 20.717 1.908 25.516 257 HG13 VAL 38 HG13 VAL 38 19.536 0.723 26.125 258 HG21 VAL 38 HG21 VAL 38 18.099 0.698 22.545 259 HG22 VAL 38 HG22 VAL 38 18.712 -0.429 23.780 260 HG23 VAL 38 HG23 VAL 38 17.198 0.464 24.063 261 H ARG 39 HN ARG 39 18.622 2.840 27.480 262 HA ARG 39 HA ARG 39 20.044 5.338 27.027 263 HB2 ARG 39 HB2 ARG 39 17.703 5.413 28.256 264 HB3 ARG 39 HB3 ARG 39 18.573 4.743 29.622 265 HG2 ARG 39 HG2 ARG 39 20.167 6.654 29.570 266 HG3 ARG 39 HG3 ARG 39 19.354 7.313 28.164 267 HD2 ARG 39 HD2 ARG 39 18.169 8.518 29.723 268 HD3 ARG 39 HD3 ARG 39 17.208 7.057 29.846 269 HE ARG 39 HE ARG 39 19.536 6.953 31.587 270 HH11 ARG 39 HH22 ARG 39 16.245 8.239 31.333 271 HH12 ARG 39 HH21 ARG 39 16.018 8.339 33.047 272 HH22 ARG 39 HH1 ARG 39 17.791 7.655 34.507 273 H ILE 40 HN ILE 40 22.092 5.465 27.997 274 HA ILE 40 HA ILE 40 22.736 3.458 30.016 275 HB ILE 40 HB ILE 40 24.209 3.880 27.419 276 HG12 ILE 40 HG12 ILE 40 23.836 1.146 28.064 277 HG13 ILE 40 HG13 ILE 40 22.300 1.936 28.362 278 HG21 ILE 40 HG21 ILE 40 25.128 2.427 29.913 279 HG22 ILE 40 HG22 ILE 40 25.901 2.306 28.315 280 HG23 ILE 40 HG23 ILE 40 25.867 3.866 29.170 281 HD11 ILE 40 HD11 ILE 40 22.504 1.162 26.001 282 HD12 ILE 40 HD12 ILE 40 22.328 2.931 26.098 283 HD13 ILE 40 HD13 ILE 40 23.927 2.212 25.792 284 H ARG 41 HN ARG 41 24.819 4.019 31.166 285 HA ARG 41 HA ARG 41 25.710 5.494 32.514 286 HB2 ARG 41 HB2 ARG 41 26.408 6.578 29.752 287 HB3 ARG 41 HB3 ARG 41 27.090 7.291 31.200 288 HG2 ARG 41 HG2 ARG 41 27.289 4.319 30.525 289 HG3 ARG 41 HG3 ARG 41 28.531 5.489 30.125 290 HD2 ARG 41 HD2 ARG 41 27.764 5.751 32.938 291 HD3 ARG 41 HD3 ARG 41 28.217 4.096 32.585 292 HE ARG 41 HE ARG 41 30.128 5.888 31.390 293 HH11 ARG 41 HH22 ARG 41 29.149 4.623 34.551 294 HH12 ARG 41 HH21 ARG 41 30.717 4.829 35.257 295 HH22 ARG 41 HH1 ARG 41 32.494 5.734 33.928 296 H GLY 42 HN GLY 42 25.203 8.056 30.054 297 HA2 GLY 42 HA1 GLY 42 22.952 9.184 31.530 298 HA3 GLY 42 HA2 GLY 42 24.442 10.107 31.542 299 H VAL 43 HN VAL 43 23.279 8.023 28.844 300 HA VAL 43 HA VAL 43 22.595 10.424 27.333 301 HB VAL 43 HB VAL 43 24.231 8.336 25.977 302 HG11 VAL 43 HG11 VAL 43 24.043 9.838 24.340 303 HG12 VAL 43 HG12 VAL 43 23.235 10.985 25.436 304 HG13 VAL 43 HG13 VAL 43 25.010 10.976 25.310 305 HG21 VAL 43 HG21 VAL 43 26.312 9.646 26.597 306 HG22 VAL 43 HG22 VAL 43 25.350 10.406 27.887 307 HG23 VAL 43 HG23 VAL 43 25.614 8.646 27.893 308 H LEU 44 HN LEU 44 20.725 10.152 26.200 309 HA LEU 44 HA LEU 44 19.617 7.454 26.205 310 HB2 LEU 44 HB2 LEU 44 18.011 8.744 27.117 311 HB3 LEU 44 HB3 LEU 44 18.542 10.201 26.302 312 HG LEU 44 HG LEU 44 17.482 9.416 24.208 313 HD11 LEU 44 HD11 LEU 44 17.086 7.245 23.952 314 HD12 LEU 44 HD12 LEU 44 17.289 6.932 25.692 315 HD13 LEU 44 HD13 LEU 44 15.704 7.436 25.057 316 HD21 LEU 44 HD21 LEU 44 15.131 9.703 24.948 317 HD22 LEU 44 HD22 LEU 44 15.675 9.552 26.636 318 HD23 LEU 44 HD23 LEU 44 16.243 10.911 25.637 319 H VAL 45 HN VAL 45 19.994 6.235 24.438 320 HA VAL 45 HA VAL 45 20.404 7.636 21.906 321 HB VAL 45 HB VAL 45 20.861 4.710 22.410 322 HG11 VAL 45 HG11 VAL 45 21.802 4.737 20.384 323 HG12 VAL 45 HG12 VAL 45 21.165 6.388 20.188 324 HG13 VAL 45 HG13 VAL 45 22.818 6.138 20.802 325 HG21 VAL 45 HG21 VAL 45 22.133 5.466 24.186 326 HG22 VAL 45 HG22 VAL 45 23.317 5.543 22.859 327 HG23 VAL 45 HG23 VAL 45 22.496 7.025 23.407 328 H ARG 46 HN ARG 46 18.139 8.154 21.581 329 HA ARG 46 HA ARG 46 16.504 5.794 21.151 330 HB2 ARG 46 HB2 ARG 46 15.355 7.296 22.613 331 HB3 ARG 46 HB3 ARG 46 15.869 8.712 21.718 332 HG2 ARG 46 HG2 ARG 46 14.437 8.001 19.785 333 HG3 ARG 46 HG3 ARG 46 13.912 6.599 20.695 334 HD2 ARG 46 HD2 ARG 46 12.217 7.909 21.475 335 HD3 ARG 46 HD3 ARG 46 13.420 8.684 22.487 336 HE ARG 46 HE ARG 46 13.512 9.879 19.883 337 HH11 ARG 46 HH22 ARG 46 11.401 9.733 22.725 338 HH12 ARG 46 HH21 ARG 46 10.690 11.285 22.431 339 HH22 ARG 46 HH1 ARG 46 11.395 12.556 20.525 340 H TYR 47 HN TYR 47 15.174 5.691 19.150 341 HA TYR 47 HA TYR 47 16.050 7.503 17.028 342 HB2 TYR 47 HB2 TYR 47 17.374 5.252 17.203 343 HB3 TYR 47 HB3 TYR 47 15.860 4.433 16.875 344 HD1 TYR 47 HD1 TYR 47 14.596 5.296 14.676 345 HD2 TYR 47 HD2 TYR 47 18.790 5.705 15.417 346 HE1 TYR 47 HE1 TYR 47 15.023 5.521 12.179 347 HE2 TYR 47 HE2 TYR 47 19.202 5.929 12.918 348 HH TYR 47 HH TYR 47 16.692 6.489 10.721 349 H ARG 48 HN ARG 48 14.477 7.919 15.458 350 HA ARG 48 HA ARG 48 12.119 6.290 15.494 351 HB2 ARG 48 HB2 ARG 48 10.762 8.590 15.576 352 HB3 ARG 48 HB3 ARG 48 11.221 7.779 17.060 353 HG2 ARG 48 HG2 ARG 48 12.634 9.461 17.670 354 HG3 ARG 48 HG3 ARG 48 13.379 9.523 16.085 355 HD2 ARG 48 HD2 ARG 48 12.011 11.230 15.356 356 HD3 ARG 48 HD3 ARG 48 10.594 10.580 16.158 357 HE ARG 48 HE ARG 48 12.610 11.648 18.008 358 HH11 ARG 48 HH22 ARG 48 9.755 12.420 16.057 359 HH12 ARG 48 HH21 ARG 48 9.335 13.813 16.998 360 HH22 ARG 48 HH1 ARG 48 10.702 14.420 18.870 361 H ARG 49 HN ARG 49 12.161 5.789 13.305 362 HA ARG 49 HA ARG 49 11.443 7.689 11.464 363 HB2 ARG 49 HB2 ARG 49 14.027 8.203 11.957 364 HB3 ARG 49 HB3 ARG 49 14.295 6.850 10.876 365 HG2 ARG 49 HG2 ARG 49 12.312 8.883 9.928 366 HG3 ARG 49 HG3 ARG 49 13.972 9.436 10.027 367 HD2 ARG 49 HD2 ARG 49 13.708 6.746 8.799 368 HD3 ARG 49 HD3 ARG 49 12.876 8.001 7.902 369 HE ARG 49 HE ARG 49 15.321 9.167 8.429 370 HH11 ARG 49 HH22 ARG 49 14.391 6.062 6.997 371 HH12 ARG 49 HH21 ARG 49 15.804 5.957 6.001 372 HH22 ARG 49 HH1 ARG 49 17.434 7.713 6.087 373 H CYS 50 HN CYS 50 11.665 6.727 9.106 374 HA CYS 50 HA CYS 50 11.980 3.837 9.194 375 HB2 CYS 50 HB2 CYS 50 9.572 4.971 7.814 376 HB3 CYS 50 HB3 CYS 50 9.891 3.324 8.318 377 H TRP 51 HN TRP 51 13.047 3.124 7.346 378 HA TRP 51 HA TRP 51 13.718 5.166 5.395 379 HB2 TRP 51 HB2 TRP 51 15.598 4.015 6.144 380 HB3 TRP 51 HB3 TRP 51 14.797 2.457 6.104 381 HD1 TRP 51 HD1 TRP 51 17.132 4.502 4.078 382 HE1 TRP 51 HE1 TRP 51 17.529 3.547 1.650 383 HE3 TRP 51 HE3 TRP 51 13.228 1.245 4.152 384 HZ2 TRP 51 HZ2 TRP 51 16.196 1.581 0.069 385 HZ3 TRP 51 HZ3 TRP 51 12.845 -0.155 2.125 386 HH2 TRP 51 HH2 TRP 51 14.254 -0.026 0.132 Start of MODEL 4 1 H1 ARG 1 HN ARG 1 8.877 -6.021 1.227 2 HA ARG 1 HA ARG 1 6.149 -5.640 2.170 3 HB2 ARG 1 HB2 ARG 1 8.335 -7.575 2.955 4 HB3 ARG 1 HB3 ARG 1 7.220 -7.055 4.203 5 HG2 ARG 1 HG2 ARG 1 5.760 -7.738 1.761 6 HG3 ARG 1 HG3 ARG 1 6.789 -9.071 2.245 7 HD2 ARG 1 HD2 ARG 1 5.101 -7.678 4.342 8 HD3 ARG 1 HD3 ARG 1 4.341 -8.831 3.263 9 HE ARG 1 HE ARG 1 6.090 -9.463 5.467 10 HH11 ARG 1 HH22 ARG 1 5.281 -10.537 2.189 11 HH12 ARG 1 HH21 ARG 1 5.769 -12.174 2.471 12 HH22 ARG 1 HH1 ARG 1 6.621 -12.791 4.625 13 H TRP 2 HN TRP 2 5.869 -4.485 4.217 14 HA TRP 2 HA TRP 2 8.199 -2.816 4.862 15 HB2 TRP 2 HB2 TRP 2 5.398 -2.086 5.614 16 HB3 TRP 2 HB3 TRP 2 6.788 -1.056 5.333 17 HD1 TRP 2 HD1 TRP 2 3.686 -1.321 3.779 18 HE1 TRP 2 HE1 TRP 2 3.620 -1.012 1.160 19 HE3 TRP 2 HE3 TRP 2 8.643 -2.172 3.027 20 HZ2 TRP 2 HZ2 TRP 2 5.603 -1.155 -0.888 21 HZ3 TRP 2 HZ3 TRP 2 9.496 -2.068 0.687 22 HH2 TRP 2 HH2 TRP 2 8.064 -1.580 -1.233 23 H CYS 3 HN CYS 3 9.066 -3.006 6.903 24 HA CYS 3 HA CYS 3 7.425 -4.403 8.883 25 HB2 CYS 3 HB2 CYS 3 10.153 -5.072 7.909 26 HB3 CYS 3 HB3 CYS 3 9.877 -5.193 9.636 27 H VAL 4 HN VAL 4 8.565 -4.032 11.179 28 HA VAL 4 HA VAL 4 9.978 -1.514 11.312 29 HB VAL 4 HB VAL 4 8.398 -0.316 12.505 30 HG11 VAL 4 HG11 VAL 4 6.807 -1.900 10.458 31 HG12 VAL 4 HG12 VAL 4 6.333 -0.332 11.155 32 HG13 VAL 4 HG13 VAL 4 7.790 -0.450 10.140 33 HG21 VAL 4 HG21 VAL 4 6.146 -1.530 13.154 34 HG22 VAL 4 HG22 VAL 4 7.165 -2.988 13.091 35 HG23 VAL 4 HG23 VAL 4 7.584 -1.656 14.195 36 H TYR 5 HN TYR 5 11.586 -1.792 12.766 37 HA TYR 5 HA TYR 5 11.131 -3.813 14.857 38 HB2 TYR 5 HB2 TYR 5 13.408 -2.952 13.037 39 HB3 TYR 5 HB3 TYR 5 13.856 -3.499 14.640 40 HD1 TYR 5 HD1 TYR 5 11.896 -5.692 15.094 41 HD2 TYR 5 HD2 TYR 5 14.136 -4.652 11.600 42 HE1 TYR 5 HE1 TYR 5 11.786 -8.104 14.297 43 HE2 TYR 5 HE2 TYR 5 14.018 -7.067 10.815 44 HH TYR 5 HH TYR 5 13.021 -9.010 11.122 45 H ALA 6 HN ALA 6 11.301 -3.181 16.966 46 HA ALA 6 HA ALA 6 12.529 -0.554 17.445 47 HB1 ALA 6 HB1 ALA 6 9.803 -1.525 17.980 48 HB2 ALA 6 HB2 ALA 6 10.609 -0.871 19.426 49 HB3 ALA 6 HB3 ALA 6 10.441 0.137 17.968 50 H TYR 7 HN TYR 7 13.754 -0.370 19.372 51 HA TYR 7 HA TYR 7 13.989 -2.809 20.970 52 HB2 TYR 7 HB2 TYR 7 15.755 -2.744 19.148 53 HB3 TYR 7 HB3 TYR 7 16.199 -1.121 19.637 54 HD1 TYR 7 HD2 TYR 7 17.057 -0.832 22.091 55 HD2 TYR 7 HD1 TYR 7 16.880 -4.589 20.053 56 HE1 TYR 7 HE2 TYR 7 18.772 -1.794 23.702 57 HE2 TYR 7 HE1 TYR 7 18.597 -5.539 21.671 58 HH TYR 7 HH TYR 7 20.130 -3.471 24.090 59 H VAL 8 HN VAL 8 13.486 -2.177 23.009 60 HA VAL 8 HA VAL 8 14.393 0.495 23.822 61 HB VAL 8 HB VAL 8 12.140 -1.242 24.849 62 HG11 VAL 8 HG11 VAL 8 13.333 1.332 25.840 63 HG12 VAL 8 HG12 VAL 8 11.587 1.041 26.026 64 HG13 VAL 8 HG13 VAL 8 12.759 -0.083 26.754 65 HG21 VAL 8 HG21 VAL 8 10.785 0.790 24.007 66 HG22 VAL 8 HG22 VAL 8 12.237 1.186 23.057 67 HG23 VAL 8 HG23 VAL 8 11.403 -0.366 22.803 68 H ARG 9 HN ARG 9 15.642 0.733 25.689 69 HA ARG 9 HA ARG 9 16.111 -1.609 27.267 70 HB2 ARG 9 HB2 ARG 9 17.924 -2.099 25.875 71 HB3 ARG 9 HB3 ARG 9 18.141 -0.431 25.385 72 HG2 ARG 9 HG2 ARG 9 19.237 0.143 27.466 73 HG3 ARG 9 HG3 ARG 9 18.751 -1.362 28.221 74 HD2 ARG 9 HD2 ARG 9 20.123 -2.335 26.042 75 HD3 ARG 9 HD3 ARG 9 20.990 -0.836 26.310 76 HE ARG 9 HE ARG 9 21.171 -3.187 27.937 77 HH11 ARG 9 HH22 ARG 9 20.994 0.336 28.278 78 HH12 ARG 9 HH21 ARG 9 21.848 0.357 29.785 79 HH22 ARG 9 HH1 ARG 9 22.604 -1.710 30.735 80 H ILE 10 HN ILE 10 15.758 -0.777 29.305 81 HA ILE 10 HA ILE 10 17.220 1.634 30.027 82 HB ILE 10 HB ILE 10 14.368 1.443 30.879 83 HG12 ILE 10 HG12 ILE 10 15.280 2.493 28.185 84 HG13 ILE 10 HG13 ILE 10 14.213 1.133 28.470 85 HG21 ILE 10 HG21 ILE 10 14.713 3.506 31.655 86 HG22 ILE 10 HG22 ILE 10 16.445 3.187 31.398 87 HG23 ILE 10 HG23 ILE 10 15.501 4.038 30.151 88 HD11 ILE 10 HD11 ILE 10 12.516 2.641 28.299 89 HD12 ILE 10 HD12 ILE 10 12.984 3.161 29.935 90 HD13 ILE 10 HD13 ILE 10 13.618 4.023 28.512 91 H ARG 11 HN ARG 11 17.610 1.805 32.329 92 HA ARG 11 HA ARG 11 18.163 0.990 34.251 93 HB2 ARG 11 HB2 ARG 11 15.487 -0.334 33.803 94 HB3 ARG 11 HB3 ARG 11 16.440 -0.889 35.165 95 HG2 ARG 11 HG2 ARG 11 15.637 0.880 36.337 96 HG3 ARG 11 HG3 ARG 11 16.632 1.913 35.330 97 HD2 ARG 11 HD2 ARG 11 14.795 2.215 33.721 98 HD3 ARG 11 HD3 ARG 11 13.807 1.037 34.561 99 HE ARG 11 HE ARG 11 14.547 3.034 36.452 100 HH11 ARG 11 HH22 ARG 11 12.567 2.742 33.529 101 HH12 ARG 11 HH21 ARG 11 11.481 4.010 33.988 102 HH22 ARG 11 HH1 ARG 11 11.822 5.152 36.067 103 H GLY 12 HN GLY 12 16.590 -2.099 33.229 104 HA2 GLY 12 HA1 GLY 12 19.080 -3.315 32.436 105 HA3 GLY 12 HA2 GLY 12 18.518 -3.835 34.012 106 H VAL 13 HN VAL 13 16.193 -2.804 31.529 107 HA VAL 13 HA VAL 13 15.517 -5.631 31.095 108 HB VAL 13 HB VAL 13 13.603 -3.308 31.395 109 HG11 VAL 13 HG11 VAL 13 13.268 -6.225 30.747 110 HG12 VAL 13 HG12 VAL 13 11.993 -5.366 31.645 111 HG13 VAL 13 HG13 VAL 13 12.478 -4.801 30.028 112 HG21 VAL 13 HG21 VAL 13 14.576 -5.388 33.344 113 HG22 VAL 13 HG22 VAL 13 14.343 -3.639 33.575 114 HG23 VAL 13 HG23 VAL 13 12.932 -4.719 33.485 115 H LEU 14 HN LEU 14 15.505 -6.238 28.986 116 HA LEU 14 HA LEU 14 15.695 -4.077 27.023 117 HB2 LEU 14 HB2 LEU 14 17.571 -5.589 27.078 118 HB3 LEU 14 HB3 LEU 14 16.516 -6.981 26.931 119 HG LEU 14 HG LEU 14 16.180 -6.689 24.683 120 HD11 LEU 14 HD11 LEU 14 15.159 -4.589 24.557 121 HD12 LEU 14 HD12 LEU 14 16.601 -3.744 25.170 122 HD13 LEU 14 HD13 LEU 14 16.604 -4.436 23.530 123 HD21 LEU 14 HD21 LEU 14 18.500 -7.177 24.911 124 HD22 LEU 14 HD22 LEU 14 18.337 -5.964 23.618 125 HD23 LEU 14 HD23 LEU 14 18.894 -5.471 25.235 126 H VAL 15 HN VAL 15 13.816 -3.514 26.073 127 HA VAL 15 HA VAL 15 11.860 -5.667 25.655 128 HB VAL 15 HB VAL 15 11.156 -2.758 25.684 129 HG11 VAL 15 HG11 VAL 15 9.375 -4.658 27.006 130 HG12 VAL 15 HG12 VAL 15 9.048 -3.514 25.683 131 HG13 VAL 15 HG13 VAL 15 9.728 -5.119 25.324 132 HG21 VAL 15 HG21 VAL 15 10.584 -3.510 28.251 133 HG22 VAL 15 HG22 VAL 15 12.147 -4.320 27.986 134 HG23 VAL 15 HG23 VAL 15 12.008 -2.560 27.764 135 H ARG 16 HN ARG 16 12.573 -6.385 23.626 136 HA ARG 16 HA ARG 16 12.931 -4.357 21.613 137 HB2 ARG 16 HB2 ARG 16 13.316 -7.392 21.550 138 HB3 ARG 16 HB3 ARG 16 13.637 -6.344 20.183 139 HG2 ARG 16 HG2 ARG 16 15.280 -5.052 21.615 140 HG3 ARG 16 HG3 ARG 16 15.011 -6.204 22.909 141 HD2 ARG 16 HD2 ARG 16 16.543 -6.534 20.366 142 HD3 ARG 16 HD3 ARG 16 16.830 -7.251 21.940 143 HE ARG 16 HE ARG 16 15.361 -9.039 21.401 144 HH11 ARG 16 HH22 ARG 16 15.325 -6.578 18.852 145 HH12 ARG 16 HH21 ARG 16 14.504 -7.592 17.713 146 HH22 ARG 16 HH1 ARG 16 13.898 -9.822 18.349 147 H TYR 17 HN TYR 17 11.091 -3.673 20.556 148 HA TYR 17 HA TYR 17 8.865 -5.545 20.325 149 HB2 TYR 17 HB2 TYR 17 9.052 -2.920 21.077 150 HB3 TYR 17 HB3 TYR 17 8.954 -2.661 19.347 151 HD1 TYR 17 HD1 TYR 17 7.177 -4.564 22.053 152 HD2 TYR 17 HD2 TYR 17 6.855 -2.373 18.392 153 HE1 TYR 17 HE1 TYR 17 4.643 -4.737 22.164 154 HE2 TYR 17 HE2 TYR 17 4.322 -2.554 18.515 155 HH TYR 17 HH TYR 17 2.740 -3.795 21.360 156 H ARG 18 HN ARG 18 7.667 -5.671 18.241 157 HA ARG 18 HA ARG 18 9.188 -4.895 15.942 158 HB2 ARG 18 HB2 ARG 18 8.784 -7.389 15.067 159 HB3 ARG 18 HB3 ARG 18 10.212 -6.997 16.003 160 HG2 ARG 18 HG2 ARG 18 9.080 -7.759 18.086 161 HG3 ARG 18 HG3 ARG 18 7.619 -8.104 17.181 162 HD2 ARG 18 HD2 ARG 18 8.488 -10.220 17.011 163 HD3 ARG 18 HD3 ARG 18 9.446 -9.541 15.710 164 HE ARG 18 HE ARG 18 11.343 -9.756 17.051 165 HH11 ARG 18 HH22 ARG 18 8.491 -9.752 19.152 166 HH12 ARG 18 HH21 ARG 18 9.396 -10.084 20.591 167 HH22 ARG 18 HH1 ARG 18 11.775 -10.339 20.448 168 H ARG 19 HN ARG 19 7.876 -5.504 13.854 169 HA ARG 19 HA ARG 19 5.268 -6.326 14.032 170 HB2 ARG 19 HB2 ARG 19 5.278 -3.943 15.254 171 HB3 ARG 19 HB3 ARG 19 5.275 -3.324 13.615 172 HG2 ARG 19 HG2 ARG 19 3.296 -5.496 14.281 173 HG3 ARG 19 HG3 ARG 19 2.991 -3.899 14.934 174 HD2 ARG 19 HD2 ARG 19 3.772 -3.678 12.130 175 HD3 ARG 19 HD3 ARG 19 2.451 -4.819 12.286 176 HE ARG 19 HE ARG 19 2.075 -2.325 13.804 177 HH11 ARG 19 HH22 ARG 19 1.520 -3.985 10.723 178 HH12 ARG 19 HH21 ARG 19 0.209 -2.952 10.260 179 HH22 ARG 19 HH1 ARG 19 -0.465 -1.182 11.728 180 H CYS 20 HN CYS 20 4.131 -6.078 11.892 181 HA CYS 20 HA CYS 20 5.703 -4.877 9.792 182 HB2 CYS 20 HB2 CYS 20 5.111 -7.842 9.832 183 HB3 CYS 20 HB3 CYS 20 5.638 -6.955 8.416 184 H TRP 21 HN TRP 21 4.375 -5.054 7.650 185 HA TRP 21 HA TRP 21 1.548 -4.793 8.372 186 HB2 TRP 21 HB2 TRP 21 2.088 -2.803 7.417 187 HB3 TRP 21 HB3 TRP 21 3.339 -3.485 6.398 188 HD1 TRP 21 HD1 TRP 21 -0.228 -2.351 6.240 189 HE1 TRP 21 HE1 TRP 21 -1.351 -2.825 3.899 190 HE3 TRP 21 HE3 TRP 21 3.433 -5.430 4.516 191 HZ2 TRP 21 HZ2 TRP 21 -0.599 -4.398 1.640 192 HZ3 TRP 21 HZ3 TRP 21 3.162 -6.393 2.233 193 HH2 TRP 21 HH2 TRP 21 1.231 -5.922 0.810 194 H1 ARG 31 HN ARG 31 6.863 0.516 4.181 195 HA ARG 31 HA ARG 31 9.589 1.077 3.482 196 HB2 ARG 31 HB2 ARG 31 7.828 2.253 5.692 197 HB3 ARG 31 HB3 ARG 31 9.391 2.878 5.207 198 HG2 ARG 31 HG2 ARG 31 6.819 2.830 3.579 199 HG3 ARG 31 HG3 ARG 31 7.738 4.233 4.089 200 HD2 ARG 31 HD2 ARG 31 9.667 2.889 2.661 201 HD3 ARG 31 HD3 ARG 31 8.232 2.371 1.800 202 HE ARG 31 HE ARG 31 8.408 5.274 2.327 203 HH11 ARG 31 HH22 ARG 31 8.982 2.645 0.021 204 HH12 ARG 31 HH21 ARG 31 9.032 3.696 -1.354 205 HH22 ARG 31 HH1 ARG 31 8.732 6.053 -1.042 206 H TRP 32 HN TRP 32 10.707 1.725 6.002 207 HA TRP 32 HA TRP 32 10.435 -0.696 7.610 208 HB2 TRP 32 HB2 TRP 32 12.818 0.099 6.029 209 HB3 TRP 32 HB3 TRP 32 13.108 -0.447 7.669 210 HD1 TRP 32 HD1 TRP 32 12.016 -1.772 4.251 211 HE1 TRP 32 HE1 TRP 32 11.910 -4.408 4.216 212 HE3 TRP 32 HE3 TRP 32 12.642 -2.387 9.260 213 HZ2 TRP 32 HZ2 TRP 32 12.095 -6.410 6.241 214 HZ3 TRP 32 HZ3 TRP 32 12.668 -4.715 10.149 215 HH2 TRP 32 HH2 TRP 32 12.407 -6.687 8.728 216 H CYS 33 HN CYS 33 9.645 0.336 9.432 217 HA CYS 33 HA CYS 33 10.788 2.883 10.171 218 HB2 CYS 33 HB2 CYS 33 8.389 1.307 10.935 219 HB3 CYS 33 HB3 CYS 33 9.077 2.338 12.174 220 H VAL 34 HN VAL 34 11.688 3.199 12.396 221 HA VAL 34 HA VAL 34 12.461 0.798 13.806 222 HB VAL 34 HB VAL 34 14.817 1.223 13.706 223 HG11 VAL 34 HG11 VAL 34 15.284 0.581 11.444 224 HG12 VAL 34 HG12 VAL 34 13.715 -0.132 11.892 225 HG13 VAL 34 HG13 VAL 34 13.772 1.318 10.860 226 HG21 VAL 34 HG21 VAL 34 14.071 3.639 12.035 227 HG22 VAL 34 HG22 VAL 34 14.947 3.602 13.584 228 HG23 VAL 34 HG23 VAL 34 15.719 2.970 12.110 229 H TYR 35 HN TYR 35 12.117 1.212 15.924 230 HA TYR 35 HA TYR 35 12.686 3.918 16.881 231 HB2 TYR 35 HB2 TYR 35 10.164 3.255 16.250 232 HB3 TYR 35 HB3 TYR 35 10.239 2.258 17.690 233 HD1 TYR 35 HD2 TYR 35 10.207 5.715 16.415 234 HD2 TYR 35 HD1 TYR 35 10.258 3.253 19.913 235 HE1 TYR 35 HE2 TYR 35 9.585 7.722 17.845 236 HE2 TYR 35 HE1 TYR 35 9.636 5.269 21.332 237 HH TYR 35 HH TYR 35 8.432 7.445 20.934 238 H ALA 36 HN ALA 36 14.204 3.671 18.442 239 HA ALA 36 HA ALA 36 13.799 1.458 20.327 240 HB1 ALA 36 HB1 ALA 36 16.395 1.428 20.382 241 HB2 ALA 36 HB2 ALA 36 15.577 0.658 19.001 242 HB3 ALA 36 HB3 ALA 36 16.294 2.278 18.822 243 H TYR 37 HN TYR 37 14.532 1.906 22.503 244 HA TYR 37 HA TYR 37 15.212 4.716 22.987 245 HB2 TYR 37 HB2 TYR 37 12.687 4.034 23.238 246 HB3 TYR 37 HB3 TYR 37 13.199 2.987 24.546 247 HD1 TYR 37 HD2 TYR 37 14.247 4.012 26.612 248 HD2 TYR 37 HD1 TYR 37 12.369 6.372 23.577 249 HE1 TYR 37 HE2 TYR 37 14.053 5.959 28.236 250 HE2 TYR 37 HE1 TYR 37 12.181 8.311 25.212 251 HH TYR 37 HH TYR 37 12.088 8.635 27.613 252 H VAL 38 HN VAL 38 17.403 3.883 23.311 253 HA VAL 38 HA VAL 38 17.659 2.188 25.686 254 HB VAL 38 HB VAL 38 19.586 2.891 23.464 255 HG11 VAL 38 HG11 VAL 38 20.780 2.631 25.592 256 HG12 VAL 38 HG12 VAL 38 19.990 1.057 25.853 257 HG13 VAL 38 HG13 VAL 38 21.121 1.271 24.496 258 HG21 VAL 38 HG21 VAL 38 19.271 0.136 23.557 259 HG22 VAL 38 HG22 VAL 38 17.628 0.751 23.859 260 HG23 VAL 38 HG23 VAL 38 18.507 1.244 22.392 261 H ARG 39 HN ARG 39 18.781 2.891 27.515 262 HA ARG 39 HA ARG 39 19.821 5.593 27.352 263 HB2 ARG 39 HB2 ARG 39 17.410 5.385 28.386 264 HB3 ARG 39 HB3 ARG 39 18.214 4.663 29.766 265 HG2 ARG 39 HG2 ARG 39 19.687 6.704 29.941 266 HG3 ARG 39 HG3 ARG 39 18.808 7.428 28.609 267 HD2 ARG 39 HD2 ARG 39 17.242 8.189 30.065 268 HD3 ARG 39 HD3 ARG 39 16.831 6.537 30.482 269 HE ARG 39 HE ARG 39 19.077 6.916 31.989 270 HH11 ARG 39 HH22 ARG 39 16.186 8.921 31.571 271 HH12 ARG 39 HH21 ARG 39 16.283 9.611 33.157 272 HH22 ARG 39 HH1 ARG 39 18.068 8.952 34.616 273 H ILE 40 HN ILE 40 21.720 5.911 28.588 274 HA ILE 40 HA ILE 40 22.426 3.894 30.546 275 HB ILE 40 HB ILE 40 23.856 4.303 27.944 276 HG12 ILE 40 HG12 ILE 40 22.431 2.150 29.303 277 HG13 ILE 40 HG13 ILE 40 22.841 2.339 27.610 278 HG21 ILE 40 HG21 ILE 40 25.524 4.793 29.654 279 HG22 ILE 40 HG22 ILE 40 25.119 3.283 30.504 280 HG23 ILE 40 HG23 ILE 40 25.847 3.223 28.881 281 HD11 ILE 40 HD11 ILE 40 24.784 1.411 29.776 282 HD12 ILE 40 HD12 ILE 40 23.950 0.347 28.619 283 HD13 ILE 40 HD13 ILE 40 25.140 1.535 28.036 284 H ARG 41 HN ARG 41 24.228 4.603 31.931 285 HA ARG 41 HA ARG 41 25.097 6.100 33.231 286 HB2 ARG 41 HB2 ARG 41 25.637 7.394 30.523 287 HB3 ARG 41 HB3 ARG 41 26.255 8.098 32.004 288 HG2 ARG 41 HG2 ARG 41 26.754 5.185 31.256 289 HG3 ARG 41 HG3 ARG 41 27.827 6.476 30.754 290 HD2 ARG 41 HD2 ARG 41 27.091 6.322 33.678 291 HD3 ARG 41 HD3 ARG 41 28.216 5.131 33.056 292 HE ARG 41 HE ARG 41 28.813 7.885 33.582 293 HH11 ARG 41 HH22 ARG 41 29.476 5.379 31.166 294 HH12 ARG 41 HH21 ARG 41 30.989 6.071 30.682 295 HH22 ARG 41 HH1 ARG 41 31.753 8.081 31.742 296 H GLY 42 HN GLY 42 24.138 8.598 30.808 297 HA2 GLY 42 HA1 GLY 42 21.811 9.404 32.326 298 HA3 GLY 42 HA2 GLY 42 23.176 10.495 32.461 299 H VAL 43 HN VAL 43 22.607 8.526 29.536 300 HA VAL 43 HA VAL 43 21.599 10.919 28.178 301 HB VAL 43 HB VAL 43 23.532 9.147 26.766 302 HG11 VAL 43 HG11 VAL 43 23.197 10.738 25.238 303 HG12 VAL 43 HG12 VAL 43 22.275 11.727 26.395 304 HG13 VAL 43 HG13 VAL 43 24.046 11.878 26.309 305 HG21 VAL 43 HG21 VAL 43 25.379 10.746 27.603 306 HG22 VAL 43 HG22 VAL 43 24.275 11.089 28.956 307 HG23 VAL 43 HG23 VAL 43 24.857 9.430 28.681 308 H LEU 44 HN LEU 44 19.771 10.501 27.040 309 HA LEU 44 HA LEU 44 19.101 7.679 26.665 310 HB2 LEU 44 HB2 LEU 44 17.337 8.510 27.791 311 HB3 LEU 44 HB3 LEU 44 17.591 10.151 27.230 312 HG LEU 44 HG LEU 44 16.604 9.550 25.039 313 HD11 LEU 44 HD11 LEU 44 16.474 7.427 24.413 314 HD12 LEU 44 HD12 LEU 44 16.919 6.874 26.046 315 HD13 LEU 44 HD13 LEU 44 15.211 7.173 25.642 316 HD21 LEU 44 HD21 LEU 44 14.238 9.142 25.948 317 HD22 LEU 44 HD22 LEU 44 14.994 9.168 27.559 318 HD23 LEU 44 HD23 LEU 44 15.107 10.594 26.500 319 H VAL 45 HN VAL 45 19.430 6.804 24.699 320 HA VAL 45 HA VAL 45 19.614 8.653 22.438 321 HB VAL 45 HB VAL 45 20.436 5.762 22.453 322 HG11 VAL 45 HG11 VAL 45 20.546 6.586 20.280 323 HG12 VAL 45 HG12 VAL 45 21.062 8.206 20.808 324 HG13 VAL 45 HG13 VAL 45 22.206 6.843 20.871 325 HG21 VAL 45 HG21 VAL 45 21.675 6.427 24.300 326 HG22 VAL 45 HG22 VAL 45 22.789 6.790 22.960 327 HG23 VAL 45 HG23 VAL 45 21.849 8.099 23.716 328 H ARG 46 HN ARG 46 17.645 8.955 21.503 329 HA ARG 46 HA ARG 46 15.984 6.582 21.267 330 HB2 ARG 46 HB2 ARG 46 15.156 9.507 20.921 331 HB3 ARG 46 HB3 ARG 46 14.078 8.128 21.003 332 HG2 ARG 46 HG2 ARG 46 14.780 7.672 23.336 333 HG3 ARG 46 HG3 ARG 46 15.950 8.975 23.263 334 HD2 ARG 46 HD2 ARG 46 12.980 9.110 23.567 335 HD3 ARG 46 HD3 ARG 46 14.215 10.160 24.232 336 HE ARG 46 HE ARG 46 14.161 11.480 22.263 337 HH11 ARG 46 HH22 ARG 46 12.171 8.577 21.857 338 HH12 ARG 46 HH21 ARG 46 11.409 9.151 20.412 339 HH22 ARG 46 HH1 ARG 46 12.003 11.306 19.547 340 H TYR 47 HN TYR 47 16.016 5.628 19.256 341 HA TYR 47 HA TYR 47 16.804 7.295 16.984 342 HB2 TYR 47 HB2 TYR 47 18.025 5.149 17.539 343 HB3 TYR 47 HB3 TYR 47 16.508 4.273 17.517 344 HD1 TYR 47 HD1 TYR 47 17.362 6.875 15.025 345 HD2 TYR 47 HD2 TYR 47 17.154 2.679 15.834 346 HE1 TYR 47 HE1 TYR 47 17.682 6.375 12.553 347 HE2 TYR 47 HE2 TYR 47 17.474 2.193 13.359 348 HH TYR 47 HH TYR 47 18.093 4.819 11.072 349 H ARG 48 HN ARG 48 15.468 7.669 15.237 350 HA ARG 48 HA ARG 48 13.065 6.118 15.044 351 HB2 ARG 48 HB2 ARG 48 11.956 7.750 16.272 352 HB3 ARG 48 HB3 ARG 48 13.142 8.986 15.904 353 HG2 ARG 48 HG2 ARG 48 11.487 7.988 13.603 354 HG3 ARG 48 HG3 ARG 48 10.653 8.953 14.806 355 HD2 ARG 48 HD2 ARG 48 13.221 10.187 14.163 356 HD3 ARG 48 HD3 ARG 48 12.323 9.889 12.688 357 HE ARG 48 HE ARG 48 10.641 11.052 14.765 358 HH11 ARG 48 HH22 ARG 48 13.005 11.841 12.246 359 HH12 ARG 48 HH21 ARG 48 12.442 13.467 12.053 360 HH22 ARG 48 HH1 ARG 48 10.614 14.244 13.395 361 H ARG 49 HN ARG 49 12.883 5.593 12.887 362 HA ARG 49 HA ARG 49 13.168 7.593 10.928 363 HB2 ARG 49 HB2 ARG 49 15.597 6.914 11.425 364 HB3 ARG 49 HB3 ARG 49 15.205 5.315 10.825 365 HG2 ARG 49 HG2 ARG 49 14.657 7.788 9.142 366 HG3 ARG 49 HG3 ARG 49 16.246 7.050 9.162 367 HD2 ARG 49 HD2 ARG 49 14.272 4.955 8.816 368 HD3 ARG 49 HD3 ARG 49 13.933 6.229 7.661 369 HE ARG 49 HE ARG 49 16.031 5.844 6.611 370 HH11 ARG 49 HH22 ARG 49 15.714 3.874 9.539 371 HH12 ARG 49 HH21 ARG 49 17.069 2.865 9.157 372 HH22 ARG 49 HH1 ARG 49 18.292 3.260 7.134 373 H CYS 50 HN CYS 50 12.420 6.810 8.800 374 HA CYS 50 HA CYS 50 11.556 4.041 8.737 375 HB2 CYS 50 HB2 CYS 50 9.629 6.325 8.267 376 HB3 CYS 50 HB3 CYS 50 9.287 4.619 8.061 377 H TRP 51 HN TRP 51 11.680 3.217 6.620 378 HA TRP 51 HA TRP 51 11.822 5.084 4.411 379 HB2 TRP 51 HB2 TRP 51 14.067 5.212 4.686 380 HB3 TRP 51 HB3 TRP 51 14.185 3.668 5.506 381 HD1 TRP 51 HD1 TRP 51 14.136 5.141 1.944 382 HE1 TRP 51 HE1 TRP 51 15.025 3.396 0.175 383 HE3 TRP 51 HE3 TRP 51 14.377 1.212 5.162 384 HZ2 TRP 51 HZ2 TRP 51 15.712 0.630 0.317 385 HZ3 TRP 51 HZ3 TRP 51 15.167 -0.976 4.266 386 HH2 TRP 51 HH2 TRP 51 15.822 -1.302 1.934 Start of MODEL 5 1 H1 ARG 1 HN ARG 1 6.611 -5.870 1.758 2 HA ARG 1 HA ARG 1 4.407 -4.985 3.370 3 HB2 ARG 1 HB2 ARG 1 5.745 -7.670 3.640 4 HB3 ARG 1 HB3 ARG 1 5.387 -6.818 5.129 5 HG2 ARG 1 HG2 ARG 1 3.539 -8.373 4.328 6 HG3 ARG 1 HG3 ARG 1 3.025 -6.725 4.631 7 HD2 ARG 1 HD2 ARG 1 3.210 -6.206 2.194 8 HD3 ARG 1 HD3 ARG 1 3.758 -7.841 1.880 9 HE ARG 1 HE ARG 1 1.372 -8.245 3.216 10 HH11 ARG 1 HH22 ARG 1 2.264 -6.331 0.371 11 HH12 ARG 1 HH21 ARG 1 0.704 -6.472 -0.368 12 HH22 ARG 1 HH1 ARG 1 -1.016 -7.711 0.750 13 H TRP 2 HN TRP 2 5.152 -3.381 4.743 14 HA TRP 2 HA TRP 2 8.027 -3.016 4.904 15 HB2 TRP 2 HB2 TRP 2 6.092 -1.151 6.186 16 HB3 TRP 2 HB3 TRP 2 7.613 -0.821 5.381 17 HD1 TRP 2 HD1 TRP 2 4.598 0.507 4.717 18 HE1 TRP 2 HE1 TRP 2 3.756 0.617 2.219 19 HE3 TRP 2 HE3 TRP 2 7.708 -3.110 2.958 20 HZ2 TRP 2 HZ2 TRP 2 4.469 -0.790 -0.160 21 HZ3 TRP 2 HZ3 TRP 2 7.571 -3.682 0.535 22 HH2 TRP 2 HH2 TRP 2 6.022 -2.587 -1.006 23 H CYS 3 HN CYS 3 9.219 -3.389 6.763 24 HA CYS 3 HA CYS 3 7.684 -4.432 9.023 25 HB2 CYS 3 HB2 CYS 3 10.328 -5.097 7.843 26 HB3 CYS 3 HB3 CYS 3 10.204 -5.177 9.589 27 H VAL 4 HN VAL 4 8.890 -3.970 11.227 28 HA VAL 4 HA VAL 4 10.324 -1.452 11.203 29 HB VAL 4 HB VAL 4 8.798 -0.191 12.314 30 HG11 VAL 4 HG11 VAL 4 7.859 -0.821 10.096 31 HG12 VAL 4 HG12 VAL 4 6.919 -2.106 10.892 32 HG13 VAL 4 HG13 VAL 4 6.610 -0.399 11.292 33 HG21 VAL 4 HG21 VAL 4 6.853 -1.179 13.617 34 HG22 VAL 4 HG22 VAL 4 7.614 -2.770 13.374 35 HG23 VAL 4 HG23 VAL 4 8.477 -1.499 14.273 36 H TYR 5 HN TYR 5 12.096 -1.870 12.408 37 HA TYR 5 HA TYR 5 11.857 -3.895 14.504 38 HB2 TYR 5 HB2 TYR 5 13.969 -2.619 12.731 39 HB3 TYR 5 HB3 TYR 5 14.514 -3.202 14.292 40 HD1 TYR 5 HD1 TYR 5 11.752 -5.068 12.907 41 HD2 TYR 5 HD2 TYR 5 16.015 -4.704 12.889 42 HE1 TYR 5 HE1 TYR 5 11.956 -7.419 11.960 43 HE2 TYR 5 HE2 TYR 5 16.205 -7.056 11.942 44 HH TYR 5 HH TYR 5 14.807 -8.580 10.620 45 H ALA 6 HN ALA 6 11.566 -3.239 16.570 46 HA ALA 6 HA ALA 6 12.628 -0.588 17.273 47 HB1 ALA 6 HB1 ALA 6 10.011 -1.897 17.689 48 HB2 ALA 6 HB2 ALA 6 10.701 -1.164 19.157 49 HB3 ALA 6 HB3 ALA 6 10.442 -0.170 17.704 50 H TYR 7 HN TYR 7 13.703 -0.385 19.305 51 HA TYR 7 HA TYR 7 14.088 -2.821 20.839 52 HB2 TYR 7 HB2 TYR 7 15.841 -2.718 18.988 53 HB3 TYR 7 HB3 TYR 7 16.281 -1.106 19.514 54 HD1 TYR 7 HD1 TYR 7 17.248 -0.825 21.879 55 HD2 TYR 7 HD2 TYR 7 16.855 -4.624 19.950 56 HE1 TYR 7 HE1 TYR 7 18.962 -1.820 23.472 57 HE2 TYR 7 HE2 TYR 7 18.570 -5.605 21.549 58 HH TYR 7 HH TYR 7 20.655 -3.919 23.211 59 H VAL 8 HN VAL 8 13.378 -2.060 22.791 60 HA VAL 8 HA VAL 8 14.346 0.586 23.601 61 HB VAL 8 HB VAL 8 12.051 -1.107 24.609 62 HG11 VAL 8 HG11 VAL 8 13.420 1.218 25.744 63 HG12 VAL 8 HG12 VAL 8 11.676 1.487 25.515 64 HG13 VAL 8 HG13 VAL 8 12.244 0.106 26.484 65 HG21 VAL 8 HG21 VAL 8 11.601 1.560 23.373 66 HG22 VAL 8 HG22 VAL 8 12.088 0.246 22.276 67 HG23 VAL 8 HG23 VAL 8 10.630 0.071 23.282 68 H ARG 9 HN ARG 9 15.448 0.858 25.582 69 HA ARG 9 HA ARG 9 15.868 -1.449 27.200 70 HB2 ARG 9 HB2 ARG 9 17.721 -2.035 25.917 71 HB3 ARG 9 HB3 ARG 9 17.961 -0.405 25.321 72 HG2 ARG 9 HG2 ARG 9 19.060 0.296 27.341 73 HG3 ARG 9 HG3 ARG 9 18.488 -1.097 28.236 74 HD2 ARG 9 HD2 ARG 9 20.318 -2.298 27.629 75 HD3 ARG 9 HD3 ARG 9 19.970 -2.043 25.931 76 HE ARG 9 HE ARG 9 21.059 0.362 26.573 77 HH11 ARG 9 HH22 ARG 9 22.143 -2.921 27.351 78 HH12 ARG 9 HH21 ARG 9 23.819 -2.487 27.408 79 HH22 ARG 9 HH1 ARG 9 24.458 -0.215 26.993 80 H ILE 10 HN ILE 10 15.391 -0.499 29.166 81 HA ILE 10 HA ILE 10 16.896 1.907 29.852 82 HB ILE 10 HB ILE 10 14.035 1.735 30.676 83 HG12 ILE 10 HG12 ILE 10 15.004 2.556 27.932 84 HG13 ILE 10 HG13 ILE 10 13.779 1.370 28.335 85 HG21 ILE 10 HG21 ILE 10 15.018 4.330 29.901 86 HG22 ILE 10 HG22 ILE 10 14.454 3.755 31.489 87 HG23 ILE 10 HG23 ILE 10 16.159 3.550 31.022 88 HD11 ILE 10 HD11 ILE 10 12.363 3.131 27.885 89 HD12 ILE 10 HD12 ILE 10 12.700 3.534 29.585 90 HD13 ILE 10 HD13 ILE 10 13.592 4.355 28.282 91 H ARG 11 HN ARG 11 17.315 2.127 32.128 92 HA ARG 11 HA ARG 11 17.839 1.378 34.084 93 HB2 ARG 11 HB2 ARG 11 15.154 0.062 33.670 94 HB3 ARG 11 HB3 ARG 11 16.097 -0.454 35.054 95 HG2 ARG 11 HG2 ARG 11 15.280 1.356 36.155 96 HG3 ARG 11 HG3 ARG 11 16.320 2.341 35.146 97 HD2 ARG 11 HD2 ARG 11 14.579 2.914 33.661 98 HD3 ARG 11 HD3 ARG 11 13.642 1.481 34.034 99 HE ARG 11 HE ARG 11 13.892 3.100 36.401 100 HH11 ARG 11 HH22 ARG 11 12.210 3.038 33.283 101 HH12 ARG 11 HH21 ARG 11 10.872 3.981 33.846 102 HH22 ARG 11 HH1 ARG 11 10.843 4.739 36.120 103 H GLY 12 HN GLY 12 16.246 -1.722 33.114 104 HA2 GLY 12 HA1 GLY 12 18.741 -2.982 32.408 105 HA3 GLY 12 HA2 GLY 12 18.133 -3.463 33.980 106 H VAL 13 HN VAL 13 15.886 -2.458 31.415 107 HA VAL 13 HA VAL 13 15.161 -5.284 31.059 108 HB VAL 13 HB VAL 13 13.311 -2.894 31.137 109 HG11 VAL 13 HG11 VAL 13 11.815 -4.238 30.177 110 HG12 VAL 13 HG12 VAL 13 12.993 -5.573 30.143 111 HG13 VAL 13 HG13 VAL 13 11.945 -5.345 31.564 112 HG21 VAL 13 HG21 VAL 13 14.159 -4.853 33.253 113 HG22 VAL 13 HG22 VAL 13 13.901 -3.096 33.367 114 HG23 VAL 13 HG23 VAL 13 12.505 -4.196 33.268 115 H LEU 14 HN LEU 14 15.340 -5.990 28.996 116 HA LEU 14 HA LEU 14 15.604 -3.932 26.932 117 HB2 LEU 14 HB2 LEU 14 17.505 -5.400 27.194 118 HB3 LEU 14 HB3 LEU 14 16.487 -6.818 27.036 119 HG LEU 14 HG LEU 14 16.339 -6.655 24.766 120 HD11 LEU 14 HD11 LEU 14 16.744 -4.403 23.555 121 HD12 LEU 14 HD12 LEU 14 15.207 -4.657 24.415 122 HD13 LEU 14 HD13 LEU 14 16.492 -3.676 25.160 123 HD21 LEU 14 HD21 LEU 14 18.490 -6.041 23.803 124 HD22 LEU 14 HD22 LEU 14 18.906 -5.124 25.271 125 HD23 LEU 14 HD23 LEU 14 18.710 -6.891 25.351 126 H VAL 15 HN VAL 15 13.796 -3.479 25.807 127 HA VAL 15 HA VAL 15 11.916 -5.701 25.395 128 HB VAL 15 HB VAL 15 11.219 -2.773 25.343 129 HG11 VAL 15 HG11 VAL 15 9.239 -4.701 26.310 130 HG12 VAL 15 HG12 VAL 15 9.106 -3.460 25.041 131 HG13 VAL 15 HG13 VAL 15 9.799 -5.054 24.657 132 HG21 VAL 15 HG21 VAL 15 11.933 -4.400 27.668 133 HG22 VAL 15 HG22 VAL 15 11.677 -2.644 27.533 134 HG23 VAL 15 HG23 VAL 15 10.288 -3.730 27.777 135 H ARG 16 HN ARG 16 12.830 -6.476 23.458 136 HA ARG 16 HA ARG 16 13.195 -4.524 21.370 137 HB2 ARG 16 HB2 ARG 16 13.741 -7.536 21.396 138 HB3 ARG 16 HB3 ARG 16 14.198 -6.444 20.104 139 HG2 ARG 16 HG2 ARG 16 15.562 -5.120 21.807 140 HG3 ARG 16 HG3 ARG 16 15.212 -6.371 22.983 141 HD2 ARG 16 HD2 ARG 16 16.904 -6.550 20.478 142 HD3 ARG 16 HD3 ARG 16 17.305 -7.047 22.110 143 HE ARG 16 HE ARG 16 15.745 -8.587 20.137 144 HH11 ARG 16 HH22 ARG 16 16.697 -8.273 23.535 145 HH12 ARG 16 HH21 ARG 16 16.334 -9.923 23.918 146 HH22 ARG 16 HH1 ARG 16 15.494 -11.369 22.201 147 H TYR 17 HN TYR 17 11.519 -4.091 19.971 148 HA TYR 17 HA TYR 17 9.475 -6.182 19.657 149 HB2 TYR 17 HB2 TYR 17 9.236 -3.626 20.602 150 HB3 TYR 17 HB3 TYR 17 9.204 -3.245 18.892 151 HD1 TYR 17 HD2 TYR 17 7.424 -4.981 21.624 152 HD2 TYR 17 HD1 TYR 17 7.284 -3.782 17.519 153 HE1 TYR 17 HE2 TYR 17 4.939 -5.515 21.545 154 HE2 TYR 17 HE1 TYR 17 4.800 -4.321 17.454 155 HH TYR 17 HH TYR 17 3.212 -5.616 18.570 156 H ARG 18 HN ARG 18 8.455 -6.364 17.503 157 HA ARG 18 HA ARG 18 9.907 -5.160 15.356 158 HB2 ARG 18 HB2 ARG 18 10.222 -7.481 14.251 159 HB3 ARG 18 HB3 ARG 18 11.321 -7.082 15.556 160 HG2 ARG 18 HG2 ARG 18 10.319 -8.575 17.057 161 HG3 ARG 18 HG3 ARG 18 8.747 -8.467 16.289 162 HD2 ARG 18 HD2 ARG 18 9.183 -10.291 15.006 163 HD3 ARG 18 HD3 ARG 18 10.648 -9.561 14.381 164 HE ARG 18 HE ARG 18 11.071 -10.505 17.082 165 HH11 ARG 18 HH22 ARG 18 10.787 -11.654 13.742 166 HH12 ARG 18 HH21 ARG 18 11.741 -13.074 14.019 167 HH22 ARG 18 HH1 ARG 18 12.637 -13.479 16.204 168 H ARG 19 HN ARG 19 7.835 -4.184 14.885 169 HA ARG 19 HA ARG 19 5.668 -6.013 14.390 170 HB2 ARG 19 HB2 ARG 19 5.573 -3.639 15.591 171 HB3 ARG 19 HB3 ARG 19 5.520 -3.012 13.955 172 HG2 ARG 19 HG2 ARG 19 3.648 -5.275 14.604 173 HG3 ARG 19 HG3 ARG 19 3.286 -3.718 15.323 174 HD2 ARG 19 HD2 ARG 19 3.845 -2.964 12.724 175 HD3 ARG 19 HD3 ARG 19 3.163 -4.556 12.461 176 HE ARG 19 HE ARG 19 1.713 -2.198 13.273 177 HH11 ARG 19 HH22 ARG 19 1.792 -5.704 13.778 178 HH12 ARG 19 HH21 ARG 19 0.108 -5.810 14.170 179 HH22 ARG 19 HH1 ARG 19 -1.225 -3.819 14.171 180 H CYS 20 HN CYS 20 4.479 -5.977 12.302 181 HA CYS 20 HA CYS 20 5.799 -4.648 10.111 182 HB2 CYS 20 HB2 CYS 20 5.556 -7.664 10.172 183 HB3 CYS 20 HB3 CYS 20 6.017 -6.708 8.777 184 H TRP 21 HN TRP 21 4.297 -4.242 8.418 185 HA TRP 21 HA TRP 21 1.751 -5.620 8.484 186 HB2 TRP 21 HB2 TRP 21 0.549 -3.383 8.452 187 HB3 TRP 21 HB3 TRP 21 1.114 -3.986 9.998 188 HD1 TRP 21 HD1 TRP 21 2.523 -2.273 11.396 189 HE1 TRP 21 HE1 TRP 21 3.752 0.032 11.022 190 HE3 TRP 21 HE3 TRP 21 1.865 -2.140 6.355 191 HZ2 TRP 21 HZ2 TRP 21 4.299 1.617 8.713 192 HZ3 TRP 21 HZ3 TRP 21 2.777 -0.179 5.116 193 HH2 TRP 21 HH2 TRP 21 3.959 1.658 6.214 194 H1 ARG 31 HN ARG 31 8.476 -1.254 3.415 195 HA ARG 31 HA ARG 31 10.319 0.943 3.422 196 HB2 ARG 31 HB2 ARG 31 7.769 1.706 3.729 197 HB3 ARG 31 HB3 ARG 31 8.002 1.127 5.366 198 HG2 ARG 31 HG2 ARG 31 9.018 3.084 5.881 199 HG3 ARG 31 HG3 ARG 31 10.321 2.668 4.785 200 HD2 ARG 31 HD2 ARG 31 9.417 4.838 4.115 201 HD3 ARG 31 HD3 ARG 31 9.004 3.667 2.879 202 HE ARG 31 HE ARG 31 6.856 3.663 4.719 203 HH11 ARG 31 HH22 ARG 31 8.373 5.962 2.490 204 HH12 ARG 31 HH21 ARG 31 6.916 6.860 2.228 205 HH22 ARG 31 HH1 ARG 31 4.905 6.187 3.345 206 H TRP 32 HN TRP 32 11.246 1.249 5.737 207 HA TRP 32 HA TRP 32 10.843 -1.061 7.452 208 HB2 TRP 32 HB2 TRP 32 13.278 -0.582 5.827 209 HB3 TRP 32 HB3 TRP 32 13.533 -1.014 7.506 210 HD1 TRP 32 HD1 TRP 32 12.207 -2.508 4.223 211 HE1 TRP 32 HE1 TRP 32 11.940 -5.127 4.395 212 HE3 TRP 32 HE3 TRP 32 13.089 -2.797 9.223 213 HZ2 TRP 32 HZ2 TRP 32 12.123 -6.985 6.554 214 HZ3 TRP 32 HZ3 TRP 32 13.027 -5.052 10.284 215 HH2 TRP 32 HH2 TRP 32 12.564 -7.100 9.034 216 H CYS 33 HN CYS 33 10.093 0.207 9.151 217 HA CYS 33 HA CYS 33 11.497 2.661 9.744 218 HB2 CYS 33 HB2 CYS 33 8.911 1.428 10.532 219 HB3 CYS 33 HB3 CYS 33 9.674 2.476 11.710 220 H VAL 34 HN VAL 34 12.178 3.036 12.101 221 HA VAL 34 HA VAL 34 12.749 0.628 13.593 222 HB VAL 34 HB VAL 34 15.133 1.030 13.699 223 HG11 VAL 34 HG11 VAL 34 14.082 -0.407 11.877 224 HG12 VAL 34 HG12 VAL 34 14.369 0.956 10.769 225 HG13 VAL 34 HG13 VAL 34 15.742 0.161 11.576 226 HG21 VAL 34 HG21 VAL 34 14.451 3.430 12.029 227 HG22 VAL 34 HG22 VAL 34 15.553 3.283 13.420 228 HG23 VAL 34 HG23 VAL 34 16.039 2.651 11.828 229 H TYR 35 HN TYR 35 12.184 1.095 15.649 230 HA TYR 35 HA TYR 35 12.728 3.821 16.594 231 HB2 TYR 35 HB2 TYR 35 10.243 2.923 15.893 232 HB3 TYR 35 HB3 TYR 35 10.326 2.164 17.471 233 HD1 TYR 35 HD1 TYR 35 11.335 5.542 16.158 234 HD2 TYR 35 HD2 TYR 35 9.070 3.324 19.031 235 HE1 TYR 35 HE1 TYR 35 10.578 7.711 17.247 236 HE2 TYR 35 HE2 TYR 35 8.321 5.501 20.110 237 HH TYR 35 HH TYR 35 9.235 8.619 18.700 238 H ALA 36 HN ALA 36 14.294 3.570 18.120 239 HA ALA 36 HA ALA 36 13.852 1.426 20.081 240 HB1 ALA 36 HB1 ALA 36 16.437 1.432 20.203 241 HB2 ALA 36 HB2 ALA 36 15.680 0.646 18.797 242 HB3 ALA 36 HB3 ALA 36 16.377 2.276 18.637 243 H TYR 37 HN TYR 37 14.343 1.966 22.261 244 HA TYR 37 HA TYR 37 15.026 4.788 22.700 245 HB2 TYR 37 HB2 TYR 37 12.498 4.042 22.860 246 HB3 TYR 37 HB3 TYR 37 12.984 3.085 24.245 247 HD1 TYR 37 HD2 TYR 37 13.940 4.262 26.282 248 HD2 TYR 37 HD1 TYR 37 12.085 6.378 23.059 249 HE1 TYR 37 HE2 TYR 37 13.628 6.290 27.784 250 HE2 TYR 37 HE1 TYR 37 11.779 8.399 24.572 251 HH TYR 37 HH TYR 37 12.200 8.210 27.937 252 H VAL 38 HN VAL 38 17.214 3.927 23.103 253 HA VAL 38 HA VAL 38 17.398 2.291 25.516 254 HB VAL 38 HB VAL 38 19.418 3.074 23.406 255 HG11 VAL 38 HG11 VAL 38 19.708 1.656 26.033 256 HG12 VAL 38 HG12 VAL 38 20.700 1.129 24.653 257 HG13 VAL 38 HG13 VAL 38 20.800 2.809 25.231 258 HG21 VAL 38 HG21 VAL 38 19.257 0.350 23.370 259 HG22 VAL 38 HG22 VAL 38 17.577 0.788 23.766 260 HG23 VAL 38 HG23 VAL 38 18.341 1.431 22.292 261 H ARG 39 HN ARG 39 18.417 3.020 27.401 262 HA ARG 39 HA ARG 39 19.429 5.725 27.308 263 HB2 ARG 39 HB2 ARG 39 16.928 5.597 28.076 264 HB3 ARG 39 HB3 ARG 39 17.543 4.850 29.538 265 HG2 ARG 39 HG2 ARG 39 19.098 6.869 29.806 266 HG3 ARG 39 HG3 ARG 39 18.249 7.621 28.470 267 HD2 ARG 39 HD2 ARG 39 16.622 8.322 29.888 268 HD3 ARG 39 HD3 ARG 39 16.242 6.659 30.289 269 HE ARG 39 HE ARG 39 18.431 7.051 31.850 270 HH11 ARG 39 HH22 ARG 39 15.585 9.100 31.343 271 HH12 ARG 39 HH21 ARG 39 15.658 9.806 32.923 272 HH22 ARG 39 HH1 ARG 39 17.397 9.134 34.430 273 H ILE 40 HN ILE 40 21.206 6.036 28.707 274 HA ILE 40 HA ILE 40 21.657 4.120 30.822 275 HB ILE 40 HB ILE 40 23.280 4.223 28.312 276 HG12 ILE 40 HG12 ILE 40 21.715 2.262 29.813 277 HG13 ILE 40 HG13 ILE 40 22.195 2.273 28.128 278 HG21 ILE 40 HG21 ILE 40 24.862 4.841 30.065 279 HG22 ILE 40 HG22 ILE 40 24.357 3.436 31.034 280 HG23 ILE 40 HG23 ILE 40 25.175 3.192 29.473 281 HD11 ILE 40 HD11 ILE 40 24.459 1.465 28.737 282 HD12 ILE 40 HD12 ILE 40 24.008 1.493 30.459 283 HD13 ILE 40 HD13 ILE 40 23.206 0.357 29.347 284 H ARG 41 HN ARG 41 23.414 4.833 32.281 285 HA ARG 41 HA ARG 41 24.325 6.361 33.509 286 HB2 ARG 41 HB2 ARG 41 24.940 7.562 30.771 287 HB3 ARG 41 HB3 ARG 41 25.566 8.269 32.247 288 HG2 ARG 41 HG2 ARG 41 25.956 5.309 31.698 289 HG3 ARG 41 HG3 ARG 41 27.016 6.486 30.948 290 HD2 ARG 41 HD2 ARG 41 26.562 6.104 33.945 291 HD3 ARG 41 HD3 ARG 41 28.022 5.720 33.055 292 HE ARG 41 HE ARG 41 27.482 8.457 32.569 293 HH11 ARG 41 HH22 ARG 41 28.298 6.404 35.339 294 HH12 ARG 41 HH21 ARG 41 29.087 7.678 36.208 295 HH22 ARG 41 HH1 ARG 41 29.208 9.864 35.235 296 H GLY 42 HN GLY 42 23.395 8.717 30.924 297 HA2 GLY 42 HA1 GLY 42 21.060 9.631 32.333 298 HA3 GLY 42 HA2 GLY 42 22.434 10.705 32.512 299 H VAL 43 HN VAL 43 22.049 8.692 29.599 300 HA VAL 43 HA VAL 43 21.110 11.055 28.141 301 HB VAL 43 HB VAL 43 23.123 9.258 26.881 302 HG11 VAL 43 HG11 VAL 43 21.885 11.822 26.379 303 HG12 VAL 43 HG12 VAL 43 23.657 11.986 26.405 304 HG13 VAL 43 HG13 VAL 43 22.887 10.818 25.304 305 HG21 VAL 43 HG21 VAL 43 24.389 9.568 28.802 306 HG22 VAL 43 HG22 VAL 43 24.886 10.957 27.806 307 HG23 VAL 43 HG23 VAL 43 23.708 11.180 29.121 308 H LEU 44 HN LEU 44 19.379 10.620 26.861 309 HA LEU 44 HA LEU 44 18.704 7.793 26.534 310 HB2 LEU 44 HB2 LEU 44 16.872 8.685 27.495 311 HB3 LEU 44 HB3 LEU 44 17.185 10.299 26.890 312 HG LEU 44 HG LEU 44 16.359 9.613 24.655 313 HD11 LEU 44 HD11 LEU 44 14.914 7.254 25.344 314 HD12 LEU 44 HD12 LEU 44 16.156 7.482 24.089 315 HD13 LEU 44 HD13 LEU 44 16.632 6.992 25.733 316 HD21 LEU 44 HD21 LEU 44 14.780 10.739 25.972 317 HD22 LEU 44 HD22 LEU 44 13.930 9.288 25.388 318 HD23 LEU 44 HD23 LEU 44 14.551 9.344 27.055 319 H VAL 45 HN VAL 45 19.199 6.849 24.636 320 HA VAL 45 HA VAL 45 19.554 8.614 22.328 321 HB VAL 45 HB VAL 45 20.371 5.729 22.487 322 HG11 VAL 45 HG11 VAL 45 21.088 8.133 20.839 323 HG12 VAL 45 HG12 VAL 45 22.298 6.849 21.078 324 HG13 VAL 45 HG13 VAL 45 20.729 6.465 20.329 325 HG21 VAL 45 HG21 VAL 45 21.435 6.424 24.431 326 HG22 VAL 45 HG22 VAL 45 22.670 6.755 23.193 327 HG23 VAL 45 HG23 VAL 45 21.674 8.083 23.834 328 H ARG 46 HN ARG 46 17.629 8.882 21.282 329 HA ARG 46 HA ARG 46 15.977 6.512 21.029 330 HB2 ARG 46 HB2 ARG 46 15.265 9.424 20.416 331 HB3 ARG 46 HB3 ARG 46 14.144 8.079 20.454 332 HG2 ARG 46 HG2 ARG 46 14.589 7.735 22.870 333 HG3 ARG 46 HG3 ARG 46 15.791 9.010 22.853 334 HD2 ARG 46 HD2 ARG 46 13.110 9.798 21.793 335 HD3 ARG 46 HD3 ARG 46 13.139 9.395 23.498 336 HE ARG 46 HE ARG 46 15.369 11.092 22.982 337 HH11 ARG 46 HH22 ARG 46 11.831 11.276 23.009 338 HH12 ARG 46 HH21 ARG 46 11.797 12.965 23.391 339 HH22 ARG 46 HH1 ARG 46 13.864 14.146 23.668 340 H TYR 47 HN TYR 47 16.072 5.420 19.092 341 HA TYR 47 HA TYR 47 17.201 6.834 16.800 342 HB2 TYR 47 HB2 TYR 47 18.111 4.613 17.598 343 HB3 TYR 47 HB3 TYR 47 16.511 3.908 17.484 344 HD1 TYR 47 HD2 TYR 47 17.774 6.229 14.909 345 HD2 TYR 47 HD1 TYR 47 17.219 2.128 15.993 346 HE1 TYR 47 HE2 TYR 47 18.251 5.524 12.513 347 HE2 TYR 47 HE1 TYR 47 17.698 1.436 13.594 348 HH TYR 47 HH TYR 47 18.790 2.241 11.675 349 H ARG 48 HN ARG 48 16.083 7.204 14.900 350 HA ARG 48 HA ARG 48 13.537 5.926 14.584 351 HB2 ARG 48 HB2 ARG 48 12.530 7.765 15.590 352 HB3 ARG 48 HB3 ARG 48 13.880 8.828 15.248 353 HG2 ARG 48 HG2 ARG 48 11.776 9.382 13.948 354 HG3 ARG 48 HG3 ARG 48 13.188 9.124 12.943 355 HD2 ARG 48 HD2 ARG 48 11.892 7.643 11.784 356 HD3 ARG 48 HD3 ARG 48 12.157 6.548 13.126 357 HE ARG 48 HE ARG 48 9.920 8.436 13.493 358 HH11 ARG 48 HH22 ARG 48 10.899 5.203 12.425 359 HH12 ARG 48 HH21 ARG 48 9.311 4.532 12.589 360 HH22 ARG 48 HH1 ARG 48 7.518 5.931 13.346 361 H ARG 49 HN ARG 49 13.671 5.153 12.500 362 HA ARG 49 HA ARG 49 14.376 7.000 10.443 363 HB2 ARG 49 HB2 ARG 49 16.578 5.938 11.220 364 HB3 ARG 49 HB3 ARG 49 15.949 4.389 10.693 365 HG2 ARG 49 HG2 ARG 49 16.031 6.770 8.801 366 HG3 ARG 49 HG3 ARG 49 17.438 5.750 9.029 367 HD2 ARG 49 HD2 ARG 49 15.162 4.018 8.631 368 HD3 ARG 49 HD3 ARG 49 15.114 5.249 7.386 369 HE ARG 49 HE ARG 49 17.209 3.201 7.755 370 HH11 ARG 49 HH22 ARG 49 16.269 6.198 6.115 371 HH12 ARG 49 HH21 ARG 49 17.429 6.013 4.843 372 HH22 ARG 49 HH1 ARG 49 18.872 4.099 4.841 373 H CYS 50 HN CYS 50 13.688 6.214 8.297 374 HA CYS 50 HA CYS 50 12.391 3.633 8.246 375 HB2 CYS 50 HB2 CYS 50 10.831 6.149 7.626 376 HB3 CYS 50 HB3 CYS 50 10.263 4.500 7.453 377 H TRP 51 HN TRP 51 12.481 2.762 6.141 378 HA TRP 51 HA TRP 51 13.022 4.547 3.926 379 HB2 TRP 51 HB2 TRP 51 15.246 4.329 4.375 380 HB3 TRP 51 HB3 TRP 51 15.071 2.757 5.130 381 HD1 TRP 51 HD1 TRP 51 15.488 4.348 1.647 382 HE1 TRP 51 HE1 TRP 51 16.184 2.547 -0.152 383 HE3 TRP 51 HE3 TRP 51 14.860 0.313 4.677 384 HZ2 TRP 51 HZ2 TRP 51 16.389 -0.299 -0.107 385 HZ3 TRP 51 HZ3 TRP 51 15.329 -1.941 3.721 386 HH2 TRP 51 HH2 TRP 51 16.070 -2.283 1.417 Start of MODEL 6 1 H1 ARG 1 HN ARG 1 10.132 -6.579 1.873 2 HA ARG 1 HA ARG 1 7.344 -5.835 1.776 3 HB2 ARG 1 HB2 ARG 1 9.022 -7.666 3.500 4 HB3 ARG 1 HB3 ARG 1 7.544 -7.024 4.188 5 HG2 ARG 1 HG2 ARG 1 7.358 -8.160 1.411 6 HG3 ARG 1 HG3 ARG 1 7.609 -9.305 2.714 7 HD2 ARG 1 HD2 ARG 1 5.624 -7.693 3.789 8 HD3 ARG 1 HD3 ARG 1 5.212 -7.652 2.086 9 HE ARG 1 HE ARG 1 5.127 -10.004 3.856 10 HH11 ARG 1 HH22 ARG 1 5.119 -8.859 0.503 11 HH12 ARG 1 HH21 ARG 1 4.398 -10.305 -0.120 12 HH22 ARG 1 HH1 ARG 1 3.851 -12.087 1.387 13 H TRP 2 HN TRP 2 6.555 -5.086 4.196 14 HA TRP 2 HA TRP 2 8.395 -2.925 4.973 15 HB2 TRP 2 HB2 TRP 2 5.428 -2.776 5.366 16 HB3 TRP 2 HB3 TRP 2 6.609 -1.483 5.296 17 HD1 TRP 2 HD1 TRP 2 3.875 -2.385 3.298 18 HE1 TRP 2 HE1 TRP 2 4.112 -1.968 0.703 19 HE3 TRP 2 HE3 TRP 2 8.946 -2.007 3.289 20 HZ2 TRP 2 HZ2 TRP 2 6.343 -1.537 -1.024 21 HZ3 TRP 2 HZ3 TRP 2 10.075 -1.588 1.107 22 HH2 TRP 2 HH2 TRP 2 8.858 -1.354 -1.000 23 H CYS 3 HN CYS 3 9.205 -3.168 7.012 24 HA CYS 3 HA CYS 3 7.526 -4.577 8.941 25 HB2 CYS 3 HB2 CYS 3 10.328 -5.252 8.132 26 HB3 CYS 3 HB3 CYS 3 9.850 -5.474 9.803 27 H VAL 4 HN VAL 4 8.749 -4.241 11.252 28 HA VAL 4 HA VAL 4 10.101 -1.685 11.358 29 HB VAL 4 HB VAL 4 8.514 -0.495 12.461 30 HG11 VAL 4 HG11 VAL 4 7.604 -0.880 10.258 31 HG12 VAL 4 HG12 VAL 4 6.875 -2.418 10.779 32 HG13 VAL 4 HG13 VAL 4 6.268 -0.879 11.435 33 HG21 VAL 4 HG21 VAL 4 6.487 -1.690 13.580 34 HG22 VAL 4 HG22 VAL 4 7.501 -3.148 13.465 35 HG23 VAL 4 HG23 VAL 4 8.075 -1.735 14.382 36 H TYR 5 HN TYR 5 11.658 -1.744 12.917 37 HA TYR 5 HA TYR 5 11.377 -3.852 14.952 38 HB2 TYR 5 HB2 TYR 5 13.570 -2.939 13.056 39 HB3 TYR 5 HB3 TYR 5 14.084 -3.464 14.647 40 HD1 TYR 5 HD1 TYR 5 12.137 -5.694 15.139 41 HD2 TYR 5 HD2 TYR 5 14.363 -4.640 11.641 42 HE1 TYR 5 HE1 TYR 5 12.068 -8.112 14.358 43 HE2 TYR 5 HE2 TYR 5 14.287 -7.063 10.872 44 HH TYR 5 HH TYR 5 12.237 -9.179 11.789 45 H ALA 6 HN ALA 6 11.597 -3.205 17.051 46 HA ALA 6 HA ALA 6 12.782 -0.552 17.485 47 HB1 ALA 6 HB1 ALA 6 10.756 0.155 18.156 48 HB2 ALA 6 HB2 ALA 6 10.071 -1.478 17.980 49 HB3 ALA 6 HB3 ALA 6 10.861 -1.004 19.503 50 H TYR 7 HN TYR 7 14.037 -0.333 19.391 51 HA TYR 7 HA TYR 7 14.364 -2.777 20.971 52 HB2 TYR 7 HB2 TYR 7 16.171 -2.793 19.307 53 HB3 TYR 7 HB3 TYR 7 16.388 -1.059 19.432 54 HD1 TYR 7 HD2 TYR 7 16.519 -4.051 21.707 55 HD2 TYR 7 HD1 TYR 7 18.286 -0.333 20.540 56 HE1 TYR 7 HE2 TYR 7 18.386 -4.399 23.398 57 HE2 TYR 7 HE1 TYR 7 20.146 -0.694 22.235 58 HH TYR 7 HH TYR 7 20.339 -3.701 24.088 59 H VAL 8 HN VAL 8 13.423 -1.934 22.836 60 HA VAL 8 HA VAL 8 14.471 0.634 23.765 61 HB VAL 8 HB VAL 8 12.073 -1.012 24.591 62 HG11 VAL 8 HG11 VAL 8 11.469 1.085 25.892 63 HG12 VAL 8 HG12 VAL 8 12.805 0.113 26.554 64 HG13 VAL 8 HG13 VAL 8 13.153 1.610 25.656 65 HG21 VAL 8 HG21 VAL 8 12.362 0.583 22.371 66 HG22 VAL 8 HG22 VAL 8 10.819 0.206 23.174 67 HG23 VAL 8 HG23 VAL 8 11.677 1.717 23.559 68 H ARG 9 HN ARG 9 15.575 0.831 25.729 69 HA ARG 9 HA ARG 9 15.816 -1.498 27.361 70 HB2 ARG 9 HB2 ARG 9 17.659 -2.124 26.039 71 HB3 ARG 9 HB3 ARG 9 18.063 -0.469 25.628 72 HG2 ARG 9 HG2 ARG 9 18.965 -0.061 27.871 73 HG3 ARG 9 HG3 ARG 9 18.390 -1.617 28.438 74 HD2 ARG 9 HD2 ARG 9 19.887 -2.489 26.348 75 HD3 ARG 9 HD3 ARG 9 20.738 -0.989 26.662 76 HE ARG 9 HE ARG 9 20.849 -3.363 28.280 77 HH11 ARG 9 HH22 ARG 9 20.758 0.165 28.600 78 HH12 ARG 9 HH21 ARG 9 21.589 0.173 30.120 79 HH22 ARG 9 HH1 ARG 9 22.278 -1.906 31.092 80 H ILE 10 HN ILE 10 15.503 -0.648 29.395 81 HA ILE 10 HA ILE 10 17.034 1.711 30.124 82 HB ILE 10 HB ILE 10 14.140 1.697 30.848 83 HG12 ILE 10 HG12 ILE 10 15.214 2.694 28.193 84 HG13 ILE 10 HG13 ILE 10 14.132 1.335 28.419 85 HG21 ILE 10 HG21 ILE 10 16.282 3.332 31.436 86 HG22 ILE 10 HG22 ILE 10 15.457 4.207 30.123 87 HG23 ILE 10 HG23 ILE 10 14.561 3.757 31.594 88 HD11 ILE 10 HD11 ILE 10 13.523 4.204 28.372 89 HD12 ILE 10 HD12 ILE 10 12.423 2.814 28.215 90 HD13 ILE 10 HD13 ILE 10 12.872 3.415 29.829 91 H ARG 11 HN ARG 11 17.286 1.931 32.454 92 HA ARG 11 HA ARG 11 17.687 1.139 34.423 93 HB2 ARG 11 HB2 ARG 11 15.018 -0.146 33.828 94 HB3 ARG 11 HB3 ARG 11 15.870 -0.675 35.265 95 HG2 ARG 11 HG2 ARG 11 15.031 1.142 36.333 96 HG3 ARG 11 HG3 ARG 11 16.095 2.132 35.354 97 HD2 ARG 11 HD2 ARG 11 14.400 2.708 33.833 98 HD3 ARG 11 HD3 ARG 11 13.485 1.242 34.125 99 HE ARG 11 HE ARG 11 13.616 2.890 36.513 100 HH11 ARG 11 HH22 ARG 11 11.937 2.551 33.412 101 HH12 ARG 11 HH21 ARG 11 10.512 3.375 33.952 102 HH22 ARG 11 HH1 ARG 11 10.416 4.205 36.198 103 H GLY 12 HN GLY 12 16.110 -1.926 33.337 104 HA2 GLY 12 HA1 GLY 12 18.607 -3.214 32.712 105 HA3 GLY 12 HA2 GLY 12 17.957 -3.689 34.269 106 H VAL 13 HN VAL 13 15.796 -2.665 31.633 107 HA VAL 13 HA VAL 13 15.089 -5.485 31.211 108 HB VAL 13 HB VAL 13 13.192 -3.139 31.429 109 HG11 VAL 13 HG11 VAL 13 11.667 -4.447 30.465 110 HG12 VAL 13 HG12 VAL 13 12.903 -5.705 30.222 111 HG13 VAL 13 HG13 VAL 13 11.926 -5.693 31.710 112 HG21 VAL 13 HG21 VAL 13 13.863 -3.489 33.636 113 HG22 VAL 13 HG22 VAL 13 12.416 -4.515 33.492 114 HG23 VAL 13 HG23 VAL 13 14.037 -5.246 33.413 115 H LEU 14 HN LEU 14 15.078 -6.109 29.101 116 HA LEU 14 HA LEU 14 15.437 -3.970 27.138 117 HB2 LEU 14 HB2 LEU 14 17.232 -5.555 27.225 118 HB3 LEU 14 HB3 LEU 14 16.124 -6.908 27.113 119 HG LEU 14 HG LEU 14 15.805 -6.665 24.851 120 HD11 LEU 14 HD11 LEU 14 16.406 -4.455 23.652 121 HD12 LEU 14 HD12 LEU 14 14.907 -4.535 24.609 122 HD13 LEU 14 HD13 LEU 14 16.350 -3.737 25.279 123 HD21 LEU 14 HD21 LEU 14 18.165 -7.192 25.307 124 HD22 LEU 14 HD22 LEU 14 17.953 -6.311 23.775 125 HD23 LEU 14 HD23 LEU 14 18.562 -5.459 25.214 126 H VAL 15 HN VAL 15 13.637 -3.318 26.101 127 HA VAL 15 HA VAL 15 11.558 -5.350 25.670 128 HB VAL 15 HB VAL 15 11.040 -2.408 25.555 129 HG11 VAL 15 HG11 VAL 15 9.127 -4.128 26.936 130 HG12 VAL 15 HG12 VAL 15 8.892 -3.039 25.548 131 HG13 VAL 15 HG13 VAL 15 9.483 -4.698 25.288 132 HG21 VAL 15 HG21 VAL 15 10.378 -2.971 28.141 133 HG22 VAL 15 HG22 VAL 15 11.881 -3.907 27.961 134 HG23 VAL 15 HG23 VAL 15 11.878 -2.157 27.637 135 H ARG 16 HN ARG 16 12.290 -6.190 23.696 136 HA ARG 16 HA ARG 16 12.819 -4.254 21.624 137 HB2 ARG 16 HB2 ARG 16 13.386 -7.183 22.038 138 HB3 ARG 16 HB3 ARG 16 13.209 -6.644 20.381 139 HG2 ARG 16 HG2 ARG 16 14.922 -4.828 20.845 140 HG3 ARG 16 HG3 ARG 16 15.157 -5.510 22.442 141 HD2 ARG 16 HD2 ARG 16 16.878 -6.542 21.196 142 HD3 ARG 16 HD3 ARG 16 15.626 -7.768 21.187 143 HE ARG 16 HE ARG 16 15.222 -7.348 18.886 144 HH11 ARG 16 HH22 ARG 16 17.513 -4.983 20.196 145 HH12 ARG 16 HH21 ARG 16 17.986 -4.393 18.637 146 HH22 ARG 16 HH1 ARG 16 16.993 -5.341 16.672 147 H TYR 17 HN TYR 17 11.032 -3.553 20.488 148 HA TYR 17 HA TYR 17 8.774 -5.385 20.223 149 HB2 TYR 17 HB2 TYR 17 8.981 -2.752 20.940 150 HB3 TYR 17 HB3 TYR 17 8.952 -2.519 19.203 151 HD1 TYR 17 HD1 TYR 17 7.018 -3.840 22.083 152 HD2 TYR 17 HD2 TYR 17 6.918 -2.714 17.956 153 HE1 TYR 17 HE1 TYR 17 4.479 -3.967 22.102 154 HE2 TYR 17 HE2 TYR 17 4.379 -2.845 17.990 155 HH TYR 17 HH TYR 17 2.626 -3.086 20.909 156 H ARG 18 HN ARG 18 7.644 -5.518 18.099 157 HA ARG 18 HA ARG 18 9.250 -4.803 15.841 158 HB2 ARG 18 HB2 ARG 18 8.871 -7.299 14.985 159 HB3 ARG 18 HB3 ARG 18 10.254 -6.915 15.991 160 HG2 ARG 18 HG2 ARG 18 8.810 -7.544 18.025 161 HG3 ARG 18 HG3 ARG 18 7.613 -8.146 16.896 162 HD2 ARG 18 HD2 ARG 18 9.147 -9.815 16.016 163 HD3 ARG 18 HD3 ARG 18 10.515 -9.088 16.836 164 HE ARG 18 HE ARG 18 8.853 -9.670 18.939 165 HH11 ARG 18 HH22 ARG 18 9.985 -11.627 16.211 166 HH12 ARG 18 HH21 ARG 18 9.904 -13.119 17.088 167 HH22 ARG 18 HH1 ARG 18 9.173 -13.102 19.370 168 H ARG 19 HN ARG 19 7.981 -5.700 13.726 169 HA ARG 19 HA ARG 19 5.326 -6.342 13.936 170 HB2 ARG 19 HB2 ARG 19 5.409 -3.850 14.854 171 HB3 ARG 19 HB3 ARG 19 5.559 -3.413 13.164 172 HG2 ARG 19 HG2 ARG 19 3.378 -5.349 13.949 173 HG3 ARG 19 HG3 ARG 19 3.157 -3.653 14.332 174 HD2 ARG 19 HD2 ARG 19 4.147 -3.960 11.591 175 HD3 ARG 19 HD3 ARG 19 2.697 -4.915 11.827 176 HE ARG 19 HE ARG 19 2.368 -2.278 12.974 177 HH11 ARG 19 HH22 ARG 19 2.383 -3.990 9.872 178 HH12 ARG 19 HH21 ARG 19 1.357 -2.835 9.088 179 HH22 ARG 19 HH1 ARG 19 0.565 -0.940 10.324 180 H CYS 20 HN CYS 20 4.290 -6.426 11.767 181 HA CYS 20 HA CYS 20 5.910 -5.529 9.556 182 HB2 CYS 20 HB2 CYS 20 5.419 -8.451 10.121 183 HB3 CYS 20 HB3 CYS 20 5.755 -7.853 8.509 184 H TRP 21 HN TRP 21 4.638 -5.806 7.464 185 HA TRP 21 HA TRP 21 1.793 -5.553 8.070 186 HB2 TRP 21 HB2 TRP 21 2.433 -3.680 6.909 187 HB3 TRP 21 HB3 TRP 21 3.606 -4.537 5.929 188 HD1 TRP 21 HD1 TRP 21 0.091 -3.255 5.777 189 HE1 TRP 21 HE1 TRP 21 -1.160 -3.951 3.560 190 HE3 TRP 21 HE3 TRP 21 3.524 -6.702 4.299 191 HZ2 TRP 21 HZ2 TRP 21 -0.586 -5.822 1.484 192 HZ3 TRP 21 HZ3 TRP 21 3.103 -7.919 2.165 193 HH2 TRP 21 HH2 TRP 21 1.132 -7.526 0.774 194 H1 ARG 31 HN ARG 31 6.701 0.220 4.355 195 HA ARG 31 HA ARG 31 9.392 0.983 3.707 196 HB2 ARG 31 HB2 ARG 31 7.269 2.041 5.615 197 HB3 ARG 31 HB3 ARG 31 8.924 2.603 5.734 198 HG2 ARG 31 HG2 ARG 31 8.166 4.176 4.223 199 HG3 ARG 31 HG3 ARG 31 8.611 2.934 3.071 200 HD2 ARG 31 HD2 ARG 31 6.387 3.586 2.456 201 HD3 ARG 31 HD3 ARG 31 6.200 2.045 3.269 202 HE ARG 31 HE ARG 31 6.005 4.094 5.243 203 HH11 ARG 31 HH22 ARG 31 4.183 2.888 2.454 204 HH12 ARG 31 HH21 ARG 31 2.652 3.409 3.072 205 HH22 ARG 31 HH1 ARG 31 2.559 4.522 5.193 206 H TRP 32 HN TRP 32 10.705 1.548 5.980 207 HA TRP 32 HA TRP 32 10.462 -0.819 7.698 208 HB2 TRP 32 HB2 TRP 32 12.785 0.075 6.080 209 HB3 TRP 32 HB3 TRP 32 13.122 -0.452 7.717 210 HD1 TRP 32 HD1 TRP 32 12.059 -1.835 4.316 211 HE1 TRP 32 HE1 TRP 32 12.061 -4.474 4.290 212 HE3 TRP 32 HE3 TRP 32 12.739 -2.406 9.323 213 HZ2 TRP 32 HZ2 TRP 32 12.341 -6.459 6.321 214 HZ3 TRP 32 HZ3 TRP 32 12.866 -4.728 10.220 215 HH2 TRP 32 HH2 TRP 32 12.679 -6.714 8.807 216 H CYS 33 HN CYS 33 9.729 0.121 9.579 217 HA CYS 33 HA CYS 33 10.707 2.751 10.269 218 HB2 CYS 33 HB2 CYS 33 8.461 1.007 11.131 219 HB3 CYS 33 HB3 CYS 33 9.123 2.090 12.340 220 H VAL 34 HN VAL 34 11.721 3.143 12.413 221 HA VAL 34 HA VAL 34 12.687 0.814 13.824 222 HB VAL 34 HB VAL 34 15.007 1.334 13.582 223 HG11 VAL 34 HG11 VAL 34 15.380 0.719 11.288 224 HG12 VAL 34 HG12 VAL 34 13.887 -0.081 11.837 225 HG13 VAL 34 HG13 VAL 34 13.794 1.364 10.801 226 HG21 VAL 34 HG21 VAL 34 14.938 3.747 13.445 227 HG22 VAL 34 HG22 VAL 34 15.797 3.112 12.021 228 HG23 VAL 34 HG23 VAL 34 14.116 3.676 11.868 229 H TYR 35 HN TYR 35 12.484 1.251 15.957 230 HA TYR 35 HA TYR 35 13.016 3.972 16.855 231 HB2 TYR 35 HB2 TYR 35 10.459 3.199 16.276 232 HB3 TYR 35 HB3 TYR 35 10.587 2.417 17.840 233 HD1 TYR 35 HD2 TYR 35 10.533 5.668 16.092 234 HD2 TYR 35 HD1 TYR 35 10.621 3.707 19.894 235 HE1 TYR 35 HE2 TYR 35 9.939 7.856 17.243 236 HE2 TYR 35 HE1 TYR 35 10.027 5.902 21.031 237 HH TYR 35 HH TYR 35 9.840 8.898 19.180 238 H ALA 36 HN ALA 36 14.506 3.770 18.445 239 HA ALA 36 HA ALA 36 14.117 1.572 20.347 240 HB1 ALA 36 HB1 ALA 36 16.657 2.382 18.889 241 HB2 ALA 36 HB2 ALA 36 16.665 1.407 20.378 242 HB3 ALA 36 HB3 ALA 36 15.866 0.788 18.913 243 H TYR 37 HN TYR 37 14.650 2.088 22.511 244 HA TYR 37 HA TYR 37 15.520 4.855 22.956 245 HB2 TYR 37 HB2 TYR 37 12.945 4.326 23.107 246 HB3 TYR 37 HB3 TYR 37 13.340 3.304 24.475 247 HD1 TYR 37 HD2 TYR 37 14.367 4.351 26.543 248 HD2 TYR 37 HD1 TYR 37 12.743 6.687 23.348 249 HE1 TYR 37 HE2 TYR 37 14.218 6.368 28.084 250 HE2 TYR 37 HE1 TYR 37 12.600 8.696 24.900 251 HH TYR 37 HH TYR 37 12.406 9.073 27.340 252 H VAL 38 HN VAL 38 17.636 3.872 23.387 253 HA VAL 38 HA VAL 38 17.680 2.232 25.811 254 HB VAL 38 HB VAL 38 19.762 2.779 23.686 255 HG11 VAL 38 HG11 VAL 38 21.156 1.130 24.803 256 HG12 VAL 38 HG12 VAL 38 20.759 2.446 25.934 257 HG13 VAL 38 HG13 VAL 38 19.915 0.884 26.055 258 HG21 VAL 38 HG21 VAL 38 18.824 1.104 22.555 259 HG22 VAL 38 HG22 VAL 38 19.117 0.016 23.933 260 HG23 VAL 38 HG23 VAL 38 17.586 0.917 23.820 261 H ARG 39 HN ARG 39 18.822 2.885 27.663 262 HA ARG 39 HA ARG 39 19.995 5.528 27.505 263 HB2 ARG 39 HB2 ARG 39 17.532 5.446 28.458 264 HB3 ARG 39 HB3 ARG 39 18.269 4.743 29.884 265 HG2 ARG 39 HG2 ARG 39 19.805 6.727 30.050 266 HG3 ARG 39 HG3 ARG 39 19.027 7.433 28.648 267 HD2 ARG 39 HD2 ARG 39 17.393 8.299 29.964 268 HD3 ARG 39 HD3 ARG 39 16.944 6.691 30.496 269 HE ARG 39 HE ARG 39 19.209 7.236 31.996 270 HH11 ARG 39 HH22 ARG 39 16.145 8.943 31.489 271 HH12 ARG 39 HH21 ARG 39 16.158 9.687 33.054 272 HH22 ARG 39 HH1 ARG 39 17.979 9.245 34.548 273 H ILE 40 HN ILE 40 21.849 5.776 28.831 274 HA ILE 40 HA ILE 40 22.365 3.796 30.869 275 HB ILE 40 HB ILE 40 23.854 3.916 28.275 276 HG12 ILE 40 HG12 ILE 40 22.313 1.955 29.815 277 HG13 ILE 40 HG13 ILE 40 22.664 2.022 28.099 278 HG21 ILE 40 HG21 ILE 40 25.037 3.000 30.911 279 HG22 ILE 40 HG22 ILE 40 25.767 2.788 29.302 280 HG23 ILE 40 HG23 ILE 40 25.540 4.423 29.968 281 HD11 ILE 40 HD11 ILE 40 23.703 0.027 29.135 282 HD12 ILE 40 HD12 ILE 40 24.953 1.133 28.517 283 HD13 ILE 40 HD13 ILE 40 24.602 1.072 30.261 284 H ARG 41 HN ARG 41 24.181 4.434 32.266 285 HA ARG 41 HA ARG 41 25.177 5.916 33.485 286 HB2 ARG 41 HB2 ARG 41 25.801 7.072 30.730 287 HB3 ARG 41 HB3 ARG 41 26.482 7.765 32.189 288 HG2 ARG 41 HG2 ARG 41 26.746 4.802 31.522 289 HG3 ARG 41 HG3 ARG 41 27.913 5.990 30.975 290 HD2 ARG 41 HD2 ARG 41 27.443 6.428 33.798 291 HD3 ARG 41 HD3 ARG 41 27.748 4.720 33.557 292 HE ARG 41 HE ARG 41 29.666 6.200 32.032 293 HH11 ARG 41 HH22 ARG 41 28.867 5.488 35.410 294 HH12 ARG 41 HH21 ARG 41 30.497 5.679 35.965 295 HH22 ARG 41 HH1 ARG 41 32.214 6.246 34.392 296 H GLY 42 HN GLY 42 24.332 8.327 30.924 297 HA2 GLY 42 HA1 GLY 42 22.083 9.365 32.401 298 HA3 GLY 42 HA2 GLY 42 23.516 10.368 32.510 299 H VAL 43 HN VAL 43 22.919 8.342 29.643 300 HA VAL 43 HA VAL 43 22.036 10.729 28.189 301 HB VAL 43 HB VAL 43 23.920 8.826 26.883 302 HG11 VAL 43 HG11 VAL 43 22.772 11.430 26.380 303 HG12 VAL 43 HG12 VAL 43 24.549 11.525 26.346 304 HG13 VAL 43 HG13 VAL 43 23.699 10.372 25.289 305 HG21 VAL 43 HG21 VAL 43 25.139 9.163 28.902 306 HG22 VAL 43 HG22 VAL 43 25.845 10.263 27.693 307 HG23 VAL 43 HG23 VAL 43 24.741 10.898 28.937 308 H LEU 44 HN LEU 44 20.270 10.360 26.926 309 HA LEU 44 HA LEU 44 19.427 7.568 26.705 310 HB2 LEU 44 HB2 LEU 44 17.667 8.597 27.663 311 HB3 LEU 44 HB3 LEU 44 18.064 10.170 27.001 312 HG LEU 44 HG LEU 44 17.171 9.441 24.795 313 HD11 LEU 44 HD11 LEU 44 17.182 6.861 26.075 314 HD12 LEU 44 HD12 LEU 44 15.540 7.262 25.518 315 HD13 LEU 44 HD13 LEU 44 16.899 7.282 24.369 316 HD21 LEU 44 HD21 LEU 44 14.735 9.339 25.572 317 HD22 LEU 44 HD22 LEU 44 15.385 9.430 27.226 318 HD23 LEU 44 HD23 LEU 44 15.702 10.748 26.072 319 H VAL 45 HN VAL 45 19.959 6.556 24.851 320 HA VAL 45 HA VAL 45 20.472 8.181 22.501 321 HB VAL 45 HB VAL 45 20.707 5.195 22.654 322 HG11 VAL 45 HG11 VAL 45 22.934 6.427 21.415 323 HG12 VAL 45 HG12 VAL 45 21.612 5.520 20.642 324 HG13 VAL 45 HG13 VAL 45 21.489 7.286 20.830 325 HG21 VAL 45 HG21 VAL 45 22.257 7.186 24.222 326 HG22 VAL 45 HG22 VAL 45 21.950 5.461 24.534 327 HG23 VAL 45 HG23 VAL 45 23.205 5.944 23.369 328 H ARG 46 HN ARG 46 18.510 8.867 21.664 329 HA ARG 46 HA ARG 46 16.487 6.829 21.337 330 HB2 ARG 46 HB2 ARG 46 16.510 9.857 21.271 331 HB3 ARG 46 HB3 ARG 46 15.220 9.015 20.435 332 HG2 ARG 46 HG2 ARG 46 14.752 7.731 22.582 333 HG3 ARG 46 HG3 ARG 46 15.941 8.733 23.389 334 HD2 ARG 46 HD2 ARG 46 13.267 9.562 22.214 335 HD3 ARG 46 HD3 ARG 46 13.866 9.817 23.841 336 HE ARG 46 HE ARG 46 15.684 11.248 22.409 337 HH11 ARG 46 HH22 ARG 46 12.148 11.169 22.208 338 HH12 ARG 46 HH21 ARG 46 12.018 12.806 21.658 339 HH22 ARG 46 HH1 ARG 46 14.010 14.104 21.357 340 H TYR 47 HN TYR 47 15.660 6.237 19.253 341 HA TYR 47 HA TYR 47 16.950 7.489 16.946 342 HB2 TYR 47 HB2 TYR 47 18.229 5.422 17.640 343 HB3 TYR 47 HB3 TYR 47 16.736 4.506 17.694 344 HD1 TYR 47 HD2 TYR 47 17.375 6.936 14.997 345 HD2 TYR 47 HD1 TYR 47 17.544 2.817 16.141 346 HE1 TYR 47 HE2 TYR 47 17.693 6.266 12.565 347 HE2 TYR 47 HE1 TYR 47 17.862 2.161 13.706 348 HH TYR 47 HH TYR 47 18.816 3.332 11.638 349 H ARG 48 HN ARG 48 15.598 7.717 15.188 350 HA ARG 48 HA ARG 48 13.243 6.086 15.097 351 HB2 ARG 48 HB2 ARG 48 12.083 7.752 16.228 352 HB3 ARG 48 HB3 ARG 48 13.231 9.000 15.787 353 HG2 ARG 48 HG2 ARG 48 11.602 7.818 13.555 354 HG3 ARG 48 HG3 ARG 48 10.747 8.834 14.698 355 HD2 ARG 48 HD2 ARG 48 12.895 10.438 14.287 356 HD3 ARG 48 HD3 ARG 48 12.933 9.573 12.764 357 HE ARG 48 HE ARG 48 10.287 10.259 12.932 358 HH11 ARG 48 HH22 ARG 48 13.239 12.170 13.362 359 HH12 ARG 48 HH21 ARG 48 12.508 13.648 12.830 360 HH22 ARG 48 HH1 ARG 48 10.204 13.646 12.170 361 H ARG 49 HN ARG 49 12.607 5.718 12.942 362 HA ARG 49 HA ARG 49 13.058 7.539 10.910 363 HB2 ARG 49 HB2 ARG 49 15.468 6.784 11.344 364 HB3 ARG 49 HB3 ARG 49 14.994 5.172 10.849 365 HG2 ARG 49 HG2 ARG 49 14.494 7.576 9.052 366 HG3 ARG 49 HG3 ARG 49 16.042 6.754 9.052 367 HD2 ARG 49 HD2 ARG 49 13.993 4.730 8.896 368 HD3 ARG 49 HD3 ARG 49 13.598 5.969 7.721 369 HE ARG 49 HE ARG 49 15.962 4.213 7.692 370 HH11 ARG 49 HH22 ARG 49 14.484 7.159 6.393 371 HH12 ARG 49 HH21 ARG 49 15.487 7.188 4.981 372 HH22 ARG 49 HH1 ARG 49 17.126 5.467 4.670 373 H CYS 50 HN CYS 50 12.179 6.732 8.852 374 HA CYS 50 HA CYS 50 11.286 3.989 8.821 375 HB2 CYS 50 HB2 CYS 50 9.297 6.265 8.675 376 HB3 CYS 50 HB3 CYS 50 8.945 4.575 8.373 377 H TRP 51 HN TRP 51 11.129 3.248 6.663 378 HA TRP 51 HA TRP 51 11.067 5.208 4.532 379 HB2 TRP 51 HB2 TRP 51 13.346 5.280 4.635 380 HB3 TRP 51 HB3 TRP 51 13.497 3.650 5.262 381 HD1 TRP 51 HD1 TRP 51 13.157 5.525 1.917 382 HE1 TRP 51 HE1 TRP 51 13.773 3.968 -0.122 383 HE3 TRP 51 HE3 TRP 51 13.509 1.234 4.623 384 HZ2 TRP 51 HZ2 TRP 51 14.326 1.180 -0.370 385 HZ3 TRP 51 HZ3 TRP 51 14.092 -0.862 3.405 386 HH2 TRP 51 HH2 TRP 51 14.495 -0.934 0.996 Start of MODEL 7 1 H1 ARG 1 HN ARG 1 10.278 -5.360 0.321 2 HA ARG 1 HA ARG 1 8.417 -6.768 2.022 3 HB2 ARG 1 HB2 ARG 1 10.935 -7.444 1.448 4 HB3 ARG 1 HB3 ARG 1 11.333 -6.297 2.711 5 HG2 ARG 1 HG2 ARG 1 11.147 -8.499 3.730 6 HG3 ARG 1 HG3 ARG 1 9.792 -7.533 4.280 7 HD2 ARG 1 HD2 ARG 1 9.333 -9.110 1.770 8 HD3 ARG 1 HD3 ARG 1 9.520 -10.049 3.238 9 HE ARG 1 HE ARG 1 7.741 -8.039 3.968 10 HH11 ARG 1 HH22 ARG 1 7.790 -10.490 1.409 11 HH12 ARG 1 HH21 ARG 1 6.065 -10.617 1.326 12 HH22 ARG 1 HH1 ARG 1 4.717 -9.265 2.776 13 H TRP 2 HN TRP 2 7.618 -5.878 3.940 14 HA TRP 2 HA TRP 2 8.745 -3.272 4.711 15 HB2 TRP 2 HB2 TRP 2 5.879 -3.975 5.207 16 HB3 TRP 2 HB3 TRP 2 6.644 -2.401 5.109 17 HD1 TRP 2 HD1 TRP 2 4.228 -4.138 3.194 18 HE1 TRP 2 HE1 TRP 2 4.199 -3.617 0.607 19 HE3 TRP 2 HE3 TRP 2 8.875 -2.081 3.023 20 HZ2 TRP 2 HZ2 TRP 2 6.080 -2.429 -1.180 21 HZ3 TRP 2 HZ3 TRP 2 9.703 -1.265 0.818 22 HH2 TRP 2 HH2 TRP 2 8.388 -1.413 -1.237 23 H CYS 3 HN CYS 3 9.478 -3.188 6.808 24 HA CYS 3 HA CYS 3 8.346 -5.024 8.732 25 HB2 CYS 3 HB2 CYS 3 11.107 -5.260 7.655 26 HB3 CYS 3 HB3 CYS 3 10.921 -5.413 9.391 27 H VAL 4 HN VAL 4 9.034 -4.367 10.987 28 HA VAL 4 HA VAL 4 10.307 -1.761 11.142 29 HB VAL 4 HB VAL 4 8.543 -0.669 12.189 30 HG11 VAL 4 HG11 VAL 4 6.745 -0.682 10.606 31 HG12 VAL 4 HG12 VAL 4 8.243 -1.040 9.714 32 HG13 VAL 4 HG13 VAL 4 7.110 -2.353 10.113 33 HG21 VAL 4 HG21 VAL 4 7.632 -2.020 13.804 34 HG22 VAL 4 HG22 VAL 4 6.326 -2.079 12.596 35 HG23 VAL 4 HG23 VAL 4 7.490 -3.421 12.714 36 H TYR 5 HN TYR 5 11.787 -1.837 12.750 37 HA TYR 5 HA TYR 5 11.348 -3.860 14.842 38 HB2 TYR 5 HB2 TYR 5 13.717 -2.699 13.303 39 HB3 TYR 5 HB3 TYR 5 14.010 -3.323 14.914 40 HD1 TYR 5 HD2 TYR 5 12.442 -5.735 15.115 41 HD2 TYR 5 HD1 TYR 5 14.543 -4.185 11.726 42 HE1 TYR 5 HE2 TYR 5 12.650 -8.083 14.161 43 HE2 TYR 5 HE1 TYR 5 14.744 -6.538 10.783 44 HH TYR 5 HH TYR 5 13.761 -9.324 12.669 45 H ALA 6 HN ALA 6 11.632 -3.286 17.014 46 HA ALA 6 HA ALA 6 12.359 -0.499 17.528 47 HB1 ALA 6 HB1 ALA 6 10.225 -1.356 19.289 48 HB2 ALA 6 HB2 ALA 6 10.291 0.056 18.208 49 HB3 ALA 6 HB3 ALA 6 9.710 -1.510 17.592 50 H TYR 7 HN TYR 7 13.497 -0.198 19.464 51 HA TYR 7 HA TYR 7 13.778 -2.538 21.192 52 HB2 TYR 7 HB2 TYR 7 15.638 -2.583 19.522 53 HB3 TYR 7 HB3 TYR 7 15.934 -0.872 19.757 54 HD1 TYR 7 HD2 TYR 7 15.211 -2.716 22.785 55 HD2 TYR 7 HD1 TYR 7 18.341 -1.577 20.100 56 HE1 TYR 7 HE2 TYR 7 16.944 -3.259 24.564 57 HE2 TYR 7 HE1 TYR 7 20.064 -2.123 21.889 58 HH TYR 7 HH TYR 7 19.888 -2.157 24.605 59 H VAL 8 HN VAL 8 12.655 -1.491 22.873 60 HA VAL 8 HA VAL 8 13.735 1.094 23.710 61 HB VAL 8 HB VAL 8 11.316 -0.269 24.854 62 HG11 VAL 8 HG11 VAL 8 12.560 2.034 25.553 63 HG12 VAL 8 HG12 VAL 8 11.413 2.652 24.339 64 HG13 VAL 8 HG13 VAL 8 10.814 1.751 25.752 65 HG21 VAL 8 HG21 VAL 8 11.608 0.970 22.143 66 HG22 VAL 8 HG22 VAL 8 10.605 -0.402 22.673 67 HG23 VAL 8 HG23 VAL 8 10.109 1.264 23.058 68 H ARG 9 HN ARG 9 15.099 1.233 25.420 69 HA ARG 9 HA ARG 9 14.955 -0.890 27.375 70 HB2 ARG 9 HB2 ARG 9 16.776 -1.643 25.954 71 HB3 ARG 9 HB3 ARG 9 17.461 -0.033 25.858 72 HG2 ARG 9 HG2 ARG 9 18.082 -0.081 28.228 73 HG3 ARG 9 HG3 ARG 9 17.215 -1.584 28.476 74 HD2 ARG 9 HD2 ARG 9 18.821 -2.500 26.558 75 HD3 ARG 9 HD3 ARG 9 19.817 -1.125 26.992 76 HE ARG 9 HE ARG 9 19.364 -3.525 28.599 77 HH11 ARG 9 HH22 ARG 9 20.262 -0.100 28.746 78 HH12 ARG 9 HH21 ARG 9 21.104 -0.258 30.252 79 HH22 ARG 9 HH1 ARG 9 21.217 -2.403 31.315 80 H ILE 10 HN ILE 10 15.060 -0.052 29.458 81 HA ILE 10 HA ILE 10 16.516 2.398 29.916 82 HB ILE 10 HB ILE 10 13.669 2.404 30.810 83 HG12 ILE 10 HG12 ILE 10 14.568 3.314 28.060 84 HG13 ILE 10 HG13 ILE 10 13.581 1.903 28.386 85 HG21 ILE 10 HG21 ILE 10 15.059 4.842 29.870 86 HG22 ILE 10 HG22 ILE 10 14.041 4.571 31.305 87 HG23 ILE 10 HG23 ILE 10 15.746 4.058 31.313 88 HD11 ILE 10 HD11 ILE 10 12.358 4.082 29.782 89 HD12 ILE 10 HD12 ILE 10 12.754 4.663 28.147 90 HD13 ILE 10 HD13 ILE 10 11.739 3.215 28.357 91 H ARG 11 HN ARG 11 16.900 2.773 32.211 92 HA ARG 11 HA ARG 11 17.500 2.071 34.167 93 HB2 ARG 11 HB2 ARG 11 14.776 0.715 33.974 94 HB3 ARG 11 HB3 ARG 11 15.738 0.607 35.434 95 HG2 ARG 11 HG2 ARG 11 14.628 3.125 34.128 96 HG3 ARG 11 HG3 ARG 11 14.239 2.486 35.713 97 HD2 ARG 11 HD2 ARG 11 16.966 2.770 35.962 98 HD3 ARG 11 HD3 ARG 11 16.621 4.070 34.838 99 HE ARG 11 HE ARG 11 14.691 4.153 36.959 100 HH11 ARG 11 HH22 ARG 11 18.131 4.784 36.389 101 HH12 ARG 11 HH21 ARG 11 18.253 5.958 37.656 102 HH22 ARG 11 HH1 ARG 11 16.312 6.483 38.961 103 H GLY 12 HN GLY 12 15.657 -0.971 33.617 104 HA2 GLY 12 HA1 GLY 12 18.057 -2.446 32.894 105 HA3 GLY 12 HA2 GLY 12 17.403 -2.791 34.483 106 H VAL 13 HN VAL 13 15.157 -1.737 31.975 107 HA VAL 13 HA VAL 13 14.204 -4.511 31.785 108 HB VAL 13 HB VAL 13 12.649 -1.932 31.507 109 HG11 VAL 13 HG11 VAL 13 10.698 -3.570 31.842 110 HG12 VAL 13 HG12 VAL 13 11.513 -3.577 30.260 111 HG13 VAL 13 HG13 VAL 13 11.868 -4.852 31.450 112 HG21 VAL 13 HG21 VAL 13 13.126 -1.944 33.772 113 HG22 VAL 13 HG22 VAL 13 11.614 -2.882 33.724 114 HG23 VAL 13 HG23 VAL 13 13.178 -3.721 33.864 115 H LEU 14 HN LEU 14 14.354 -5.466 29.821 116 HA LEU 14 HA LEU 14 14.957 -3.707 27.562 117 HB2 LEU 14 HB2 LEU 14 16.669 -5.283 27.930 118 HB3 LEU 14 HB3 LEU 14 15.534 -6.599 28.158 119 HG LEU 14 HG LEU 14 15.252 -6.954 25.923 120 HD11 LEU 14 HD11 LEU 14 14.290 -5.128 24.986 121 HD12 LEU 14 HD12 LEU 14 15.465 -3.997 25.699 122 HD13 LEU 14 HD13 LEU 14 15.910 -4.958 24.268 123 HD21 LEU 14 HD21 LEU 14 17.428 -6.544 24.703 124 HD22 LEU 14 HD22 LEU 14 17.983 -5.678 26.156 125 HD23 LEU 14 HD23 LEU 14 17.554 -7.403 26.257 126 H VAL 15 HN VAL 15 13.336 -3.220 26.194 127 HA VAL 15 HA VAL 15 11.265 -5.263 25.819 128 HB VAL 15 HB VAL 15 10.671 -2.315 25.867 129 HG11 VAL 15 HG11 VAL 15 9.124 -4.133 24.861 130 HG12 VAL 15 HG12 VAL 15 8.809 -4.589 26.553 131 HG13 VAL 15 HG13 VAL 15 8.421 -2.947 25.987 132 HG21 VAL 15 HG21 VAL 15 11.246 -4.075 28.161 133 HG22 VAL 15 HG22 VAL 15 11.191 -2.299 28.058 134 HG23 VAL 15 HG23 VAL 15 9.685 -3.225 28.261 135 H ARG 16 HN ARG 16 11.925 -6.010 23.823 136 HA ARG 16 HA ARG 16 12.460 -3.959 21.841 137 HB2 ARG 16 HB2 ARG 16 13.007 -6.968 21.703 138 HB3 ARG 16 HB3 ARG 16 13.533 -5.779 20.528 139 HG2 ARG 16 HG2 ARG 16 14.640 -4.622 22.679 140 HG3 ARG 16 HG3 ARG 16 14.536 -6.242 23.339 141 HD2 ARG 16 HD2 ARG 16 16.727 -5.728 22.149 142 HD3 ARG 16 HD3 ARG 16 15.906 -7.161 21.563 143 HE ARG 16 HE ARG 16 15.205 -4.696 20.117 144 HH11 ARG 16 HH22 ARG 16 17.377 -7.492 20.248 145 HH12 ARG 16 HH21 ARG 16 17.808 -7.392 18.573 146 HH22 ARG 16 HH1 ARG 16 16.853 -5.663 17.217 147 H TYR 17 HN TYR 17 10.883 -3.540 20.320 148 HA TYR 17 HA TYR 17 8.709 -5.491 20.094 149 HB2 TYR 17 HB2 TYR 17 8.715 -2.810 20.640 150 HB3 TYR 17 HB3 TYR 17 8.797 -2.693 18.894 151 HD1 TYR 17 HD1 TYR 17 6.906 -3.375 17.492 152 HD2 TYR 17 HD2 TYR 17 6.705 -3.657 21.756 153 HE1 TYR 17 HE1 TYR 17 4.383 -3.659 17.361 154 HE2 TYR 17 HE2 TYR 17 4.183 -3.940 21.611 155 HH TYR 17 HH TYR 17 2.526 -3.759 18.481 156 H ARG 18 HN ARG 18 7.788 -5.923 17.942 157 HA ARG 18 HA ARG 18 9.460 -5.206 15.733 158 HB2 ARG 18 HB2 ARG 18 9.375 -7.789 15.059 159 HB3 ARG 18 HB3 ARG 18 10.654 -7.187 16.095 160 HG2 ARG 18 HG2 ARG 18 9.182 -7.805 18.105 161 HG3 ARG 18 HG3 ARG 18 8.098 -8.599 16.980 162 HD2 ARG 18 HD2 ARG 18 10.895 -9.406 16.531 163 HD3 ARG 18 HD3 ARG 18 10.388 -9.731 18.177 164 HE ARG 18 HE ARG 18 8.398 -10.567 16.206 165 HH11 ARG 18 HH22 ARG 18 11.355 -11.550 17.892 166 HH12 ARG 18 HH21 ARG 18 11.059 -13.243 17.685 167 HH22 ARG 18 HH1 ARG 18 9.085 -13.957 16.528 168 H ARG 19 HN ARG 19 8.415 -5.976 13.598 169 HA ARG 19 HA ARG 19 5.917 -7.106 13.559 170 HB2 ARG 19 HB2 ARG 19 5.470 -4.762 14.706 171 HB3 ARG 19 HB3 ARG 19 5.661 -4.112 13.090 172 HG2 ARG 19 HG2 ARG 19 3.816 -6.474 13.472 173 HG3 ARG 19 HG3 ARG 19 3.264 -4.897 14.001 174 HD2 ARG 19 HD2 ARG 19 4.439 -4.538 11.401 175 HD3 ARG 19 HD3 ARG 19 3.402 -5.947 11.301 176 HE ARG 19 HE ARG 19 1.518 -4.581 11.656 177 HH11 ARG 19 HH22 ARG 19 4.460 -2.740 12.369 178 HH12 ARG 19 HH21 ARG 19 3.630 -1.226 12.498 179 HH22 ARG 19 HH1 ARG 19 1.256 -1.157 12.173 180 H CYS 20 HN CYS 20 5.026 -7.141 11.321 181 HA CYS 20 HA CYS 20 6.583 -5.758 9.324 182 HB2 CYS 20 HB2 CYS 20 6.515 -8.776 9.490 183 HB3 CYS 20 HB3 CYS 20 6.973 -7.887 8.051 184 H TRP 21 HN TRP 21 5.479 -5.946 7.156 185 HA TRP 21 HA TRP 21 2.831 -7.117 7.205 186 HB2 TRP 21 HB2 TRP 21 1.987 -5.170 7.987 187 HB3 TRP 21 HB3 TRP 21 3.330 -4.206 7.405 188 HD1 TRP 21 HD1 TRP 21 0.017 -5.744 6.109 189 HE1 TRP 21 HE1 TRP 21 -0.823 -4.489 3.945 190 HE3 TRP 21 HE3 TRP 21 4.147 -2.828 5.558 191 HZ2 TRP 21 HZ2 TRP 21 0.307 -2.463 2.283 192 HZ3 TRP 21 HZ3 TRP 21 4.198 -1.238 3.639 193 HH2 TRP 21 HH2 TRP 21 2.367 -1.029 2.033 194 H1 ARG 31 HN ARG 31 5.981 -0.682 4.325 195 HA ARG 31 HA ARG 31 8.357 0.629 3.308 196 HB2 ARG 31 HB2 ARG 31 6.074 1.440 5.088 197 HB3 ARG 31 HB3 ARG 31 7.631 2.154 5.460 198 HG2 ARG 31 HG2 ARG 31 7.060 3.697 3.868 199 HG3 ARG 31 HG3 ARG 31 7.595 2.476 2.731 200 HD2 ARG 31 HD2 ARG 31 5.390 3.192 2.020 201 HD3 ARG 31 HD3 ARG 31 5.218 1.573 2.669 202 HE ARG 31 HE ARG 31 4.809 3.362 4.830 203 HH11 ARG 31 HH22 ARG 31 3.240 2.553 1.758 204 HH12 ARG 31 HH21 ARG 31 1.658 2.998 2.306 205 HH22 ARG 31 HH1 ARG 31 1.378 3.817 4.541 206 H TRP 32 HN TRP 32 9.512 1.668 5.608 207 HA TRP 32 HA TRP 32 9.963 -0.671 7.324 208 HB2 TRP 32 HB2 TRP 32 11.923 0.864 5.700 209 HB3 TRP 32 HB3 TRP 32 12.408 0.421 7.325 210 HD1 TRP 32 HD1 TRP 32 11.752 -1.135 3.898 211 HE1 TRP 32 HE1 TRP 32 12.489 -3.668 3.817 212 HE3 TRP 32 HE3 TRP 32 12.590 -1.596 8.892 213 HZ2 TRP 32 HZ2 TRP 32 13.321 -5.537 5.806 214 HZ3 TRP 32 HZ3 TRP 32 13.363 -3.809 9.740 215 HH2 TRP 32 HH2 TRP 32 13.729 -5.739 8.286 216 H CYS 33 HN CYS 33 10.645 -0.072 9.520 217 HA CYS 33 HA CYS 33 10.511 2.744 10.154 218 HB2 CYS 33 HB2 CYS 33 8.378 0.798 10.848 219 HB3 CYS 33 HB3 CYS 33 8.896 1.880 12.125 220 H VAL 34 HN VAL 34 11.423 3.151 12.329 221 HA VAL 34 HA VAL 34 12.488 0.864 13.737 222 HB VAL 34 HB VAL 34 14.759 1.429 13.543 223 HG11 VAL 34 HG11 VAL 34 13.835 0.197 11.611 224 HG12 VAL 34 HG12 VAL 34 13.565 1.741 10.767 225 HG13 VAL 34 HG13 VAL 34 15.221 1.216 11.155 226 HG21 VAL 34 HG21 VAL 34 13.743 4.032 12.456 227 HG22 VAL 34 HG22 VAL 34 14.999 3.716 13.677 228 HG23 VAL 34 HG23 VAL 34 15.349 3.455 11.951 229 H TYR 35 HN TYR 35 12.099 1.247 15.851 230 HA TYR 35 HA TYR 35 12.419 3.987 16.814 231 HB2 TYR 35 HB2 TYR 35 9.957 3.010 16.142 232 HB3 TYR 35 HB3 TYR 35 10.102 2.216 17.698 233 HD1 TYR 35 HD1 TYR 35 10.294 3.588 19.787 234 HD2 TYR 35 HD2 TYR 35 9.494 5.361 15.977 235 HE1 TYR 35 HE1 TYR 35 9.479 5.705 20.935 236 HE2 TYR 35 HE2 TYR 35 8.682 7.472 17.137 237 HH TYR 35 HH TYR 35 7.759 7.615 20.177 238 H ALA 36 HN ALA 36 14.087 3.702 18.237 239 HA ALA 36 HA ALA 36 13.716 1.567 20.220 240 HB1 ALA 36 HB1 ALA 36 15.453 0.804 18.746 241 HB2 ALA 36 HB2 ALA 36 16.234 2.404 18.737 242 HB3 ALA 36 HB3 ALA 36 16.252 1.412 20.215 243 H TYR 37 HN TYR 37 14.697 2.062 22.341 244 HA TYR 37 HA TYR 37 15.465 4.827 22.753 245 HB2 TYR 37 HB2 TYR 37 12.835 4.325 22.877 246 HB3 TYR 37 HB3 TYR 37 13.227 3.495 24.370 247 HD1 TYR 37 HD1 TYR 37 14.432 4.845 26.212 248 HD2 TYR 37 HD2 TYR 37 12.506 6.658 22.851 249 HE1 TYR 37 HE1 TYR 37 14.315 7.055 27.463 250 HE2 TYR 37 HE2 TYR 37 12.395 8.863 24.112 251 HH TYR 37 HH TYR 37 13.213 9.050 27.488 252 H VAL 38 HN VAL 38 17.467 3.420 23.104 253 HA VAL 38 HA VAL 38 17.383 1.943 25.607 254 HB VAL 38 HB VAL 38 19.583 2.336 23.568 255 HG11 VAL 38 HG11 VAL 38 19.366 0.551 26.008 256 HG12 VAL 38 HG12 VAL 38 20.552 0.292 24.706 257 HG13 VAL 38 HG13 VAL 38 20.592 1.794 25.661 258 HG21 VAL 38 HG21 VAL 38 17.393 1.077 22.918 259 HG22 VAL 38 HG22 VAL 38 18.969 0.333 22.555 260 HG23 VAL 38 HG23 VAL 38 18.030 -0.214 23.965 261 H ARG 39 HN ARG 39 18.701 2.474 27.426 262 HA ARG 39 HA ARG 39 19.986 5.057 27.271 263 HB2 ARG 39 HB2 ARG 39 17.513 5.082 28.259 264 HB3 ARG 39 HB3 ARG 39 18.269 4.411 29.690 265 HG2 ARG 39 HG2 ARG 39 19.824 6.340 29.812 266 HG3 ARG 39 HG3 ARG 39 19.163 6.996 28.328 267 HD2 ARG 39 HD2 ARG 39 17.488 8.014 29.474 268 HD3 ARG 39 HD3 ARG 39 16.964 6.480 30.140 269 HE ARG 39 HE ARG 39 18.239 6.888 32.103 270 HH11 ARG 39 HH22 ARG 39 18.841 9.400 29.677 271 HH12 ARG 39 HH21 ARG 39 19.636 10.460 30.792 272 HH22 ARG 39 HH1 ARG 39 19.888 9.785 33.078 273 H ILE 40 HN ILE 40 21.873 5.173 28.558 274 HA ILE 40 HA ILE 40 22.273 3.190 30.617 275 HB ILE 40 HB ILE 40 23.732 3.161 28.003 276 HG12 ILE 40 HG12 ILE 40 22.068 1.338 29.592 277 HG13 ILE 40 HG13 ILE 40 22.378 1.373 27.868 278 HG21 ILE 40 HG21 ILE 40 25.469 3.551 29.679 279 HG22 ILE 40 HG22 ILE 40 24.866 2.177 30.636 280 HG23 ILE 40 HG23 ILE 40 25.562 1.900 29.021 281 HD11 ILE 40 HD11 ILE 40 24.610 0.320 28.241 282 HD12 ILE 40 HD12 ILE 40 24.279 0.271 29.989 283 HD13 ILE 40 HD13 ILE 40 23.288 -0.693 28.868 284 H ARG 41 HN ARG 41 24.132 3.719 31.990 285 HA ARG 41 HA ARG 41 25.259 5.139 33.167 286 HB2 ARG 41 HB2 ARG 41 25.938 6.198 30.387 287 HB3 ARG 41 HB3 ARG 41 26.690 6.855 31.827 288 HG2 ARG 41 HG2 ARG 41 26.701 3.865 31.248 289 HG3 ARG 41 HG3 ARG 41 27.930 4.929 30.594 290 HD2 ARG 41 HD2 ARG 41 27.366 5.142 33.545 291 HD3 ARG 41 HD3 ARG 41 28.207 3.707 32.995 292 HE ARG 41 HE ARG 41 29.553 5.792 31.731 293 HH11 ARG 41 HH22 ARG 41 28.786 5.012 35.101 294 HH12 ARG 41 HH21 ARG 41 30.189 5.807 35.734 295 HH22 ARG 41 HH1 ARG 41 31.714 6.876 34.225 296 H GLY 42 HN GLY 42 24.559 7.554 30.565 297 HA2 GLY 42 HA1 GLY 42 22.416 8.789 32.039 298 HA3 GLY 42 HA2 GLY 42 23.922 9.680 32.127 299 H VAL 43 HN VAL 43 23.152 7.664 29.295 300 HA VAL 43 HA VAL 43 22.448 10.089 27.808 301 HB VAL 43 HB VAL 43 24.173 8.029 26.522 302 HG11 VAL 43 HG11 VAL 43 23.224 10.704 25.985 303 HG12 VAL 43 HG12 VAL 43 25.003 10.666 25.945 304 HG13 VAL 43 HG13 VAL 43 24.066 9.565 24.907 305 HG21 VAL 43 HG21 VAL 43 26.192 9.413 27.307 306 HG22 VAL 43 HG22 VAL 43 25.125 10.006 28.601 307 HG23 VAL 43 HG23 VAL 43 25.479 8.267 28.467 308 H LEU 44 HN LEU 44 20.646 9.838 26.568 309 HA LEU 44 HA LEU 44 19.598 7.114 26.384 310 HB2 LEU 44 HB2 LEU 44 17.927 8.276 27.347 311 HB3 LEU 44 HB3 LEU 44 18.432 9.811 26.668 312 HG LEU 44 HG LEU 44 17.437 9.207 24.505 313 HD11 LEU 44 HD11 LEU 44 17.240 7.043 24.015 314 HD12 LEU 44 HD12 LEU 44 17.313 6.561 25.727 315 HD13 LEU 44 HD13 LEU 44 15.763 7.059 25.008 316 HD21 LEU 44 HD21 LEU 44 15.139 9.476 25.119 317 HD22 LEU 44 HD22 LEU 44 15.437 8.813 26.743 318 HD23 LEU 44 HD23 LEU 44 16.133 10.385 26.283 319 H VAL 45 HN VAL 45 19.891 6.035 24.516 320 HA VAL 45 HA VAL 45 20.403 7.643 22.123 321 HB VAL 45 HB VAL 45 20.856 4.687 22.381 322 HG11 VAL 45 HG11 VAL 45 22.357 6.829 20.841 323 HG12 VAL 45 HG12 VAL 45 22.558 5.066 20.708 324 HG13 VAL 45 HG13 VAL 45 21.044 5.832 20.170 325 HG21 VAL 45 HG21 VAL 45 22.506 6.901 23.589 326 HG22 VAL 45 HG22 VAL 45 22.029 5.335 24.289 327 HG23 VAL 45 HG23 VAL 45 23.274 5.401 23.018 328 H ARG 46 HN ARG 46 18.352 8.170 21.371 329 HA ARG 46 HA ARG 46 16.587 5.891 20.985 330 HB2 ARG 46 HB2 ARG 46 14.961 8.025 20.497 331 HB3 ARG 46 HB3 ARG 46 15.190 7.355 22.100 332 HG2 ARG 46 HG2 ARG 46 17.024 9.001 22.530 333 HG3 ARG 46 HG3 ARG 46 16.807 9.667 20.923 334 HD2 ARG 46 HD2 ARG 46 14.343 9.507 22.634 335 HD3 ARG 46 HD3 ARG 46 15.555 10.671 23.130 336 HE ARG 46 HE ARG 46 14.873 10.739 20.260 337 HH11 ARG 46 HH22 ARG 46 14.225 12.083 23.474 338 HH12 ARG 46 HH21 ARG 46 13.518 13.539 22.858 339 HH22 ARG 46 HH1 ARG 46 13.361 13.858 20.488 340 H TYR 47 HN TYR 47 15.450 5.714 18.889 341 HA TYR 47 HA TYR 47 16.550 7.389 16.759 342 HB2 TYR 47 HB2 TYR 47 17.854 5.200 17.050 343 HB3 TYR 47 HB3 TYR 47 16.352 4.313 16.876 344 HD1 TYR 47 HD1 TYR 47 17.027 7.299 14.826 345 HD2 TYR 47 HD2 TYR 47 17.178 3.027 14.980 346 HE1 TYR 47 HE1 TYR 47 17.366 7.214 12.308 347 HE2 TYR 47 HE2 TYR 47 17.517 2.955 12.461 348 HH TYR 47 HH TYR 47 17.112 5.771 10.508 349 H ARG 48 HN ARG 48 15.136 7.727 15.017 350 HA ARG 48 HA ARG 48 12.720 6.185 14.977 351 HB2 ARG 48 HB2 ARG 48 12.720 9.220 15.366 352 HB3 ARG 48 HB3 ARG 48 11.297 8.297 14.925 353 HG2 ARG 48 HG2 ARG 48 11.083 8.421 17.264 354 HG3 ARG 48 HG3 ARG 48 11.838 6.854 17.056 355 HD2 ARG 48 HD2 ARG 48 13.553 7.536 18.378 356 HD3 ARG 48 HD3 ARG 48 13.989 8.723 17.165 357 HE ARG 48 HE ARG 48 13.006 10.400 18.475 358 HH11 ARG 48 HH22 ARG 48 11.892 7.241 19.629 359 HH12 ARG 48 HH21 ARG 48 11.104 7.890 21.028 360 HH22 ARG 48 HH1 ARG 48 11.161 10.255 21.414 361 H ARG 49 HN ARG 49 12.626 5.582 12.834 362 HA ARG 49 HA ARG 49 12.637 7.613 10.865 363 HB2 ARG 49 HB2 ARG 49 15.122 7.097 11.226 364 HB3 ARG 49 HB3 ARG 49 14.807 5.466 10.670 365 HG2 ARG 49 HG2 ARG 49 14.017 7.874 8.988 366 HG3 ARG 49 HG3 ARG 49 15.643 7.225 8.926 367 HD2 ARG 49 HD2 ARG 49 13.813 5.003 8.718 368 HD3 ARG 49 HD3 ARG 49 13.274 6.239 7.599 369 HE ARG 49 HE ARG 49 15.829 4.762 7.491 370 HH11 ARG 49 HH22 ARG 49 13.947 7.499 6.257 371 HH12 ARG 49 HH21 ARG 49 14.899 7.665 4.819 372 HH22 ARG 49 HH1 ARG 49 16.738 6.173 4.451 373 H CYS 50 HN CYS 50 11.818 6.786 8.784 374 HA CYS 50 HA CYS 50 11.164 3.967 8.720 375 HB2 CYS 50 HB2 CYS 50 9.029 6.105 8.548 376 HB3 CYS 50 HB3 CYS 50 8.795 4.403 8.204 377 H TRP 51 HN TRP 51 10.986 3.219 6.543 378 HA TRP 51 HA TRP 51 10.994 5.225 4.438 379 HB2 TRP 51 HB2 TRP 51 13.312 5.091 4.748 380 HB3 TRP 51 HB3 TRP 51 13.279 3.360 5.019 381 HD1 TRP 51 HD1 TRP 51 13.801 5.853 2.271 382 HE1 TRP 51 HE1 TRP 51 14.081 4.724 -0.097 383 HE3 TRP 51 HE3 TRP 51 12.238 1.232 3.706 384 HZ2 TRP 51 HZ2 TRP 51 13.628 2.085 -1.083 385 HZ3 TRP 51 HZ3 TRP 51 12.186 -0.565 1.979 386 HH2 TRP 51 HH2 TRP 51 12.848 -0.197 -0.345 Start of MODEL 8 1 H1 ARG 1 HN ARG 1 9.346 -6.249 0.641 2 HA ARG 1 HA ARG 1 6.741 -6.330 1.891 3 HB2 ARG 1 HB2 ARG 1 9.411 -7.643 2.404 4 HB3 ARG 1 HB3 ARG 1 8.349 -7.414 3.780 5 HG2 ARG 1 HG2 ARG 1 6.860 -8.458 1.478 6 HG3 ARG 1 HG3 ARG 1 8.221 -9.494 1.860 7 HD2 ARG 1 HD2 ARG 1 6.671 -8.560 4.234 8 HD3 ARG 1 HD3 ARG 1 5.777 -9.598 3.142 9 HE ARG 1 HE ARG 1 8.385 -10.724 3.605 10 HH11 ARG 1 HH22 ARG 1 5.274 -10.242 5.231 11 HH12 ARG 1 HH21 ARG 1 5.464 -11.613 6.272 12 HH22 ARG 1 HH1 ARG 1 7.450 -12.945 6.107 13 H TRP 2 HN TRP 2 6.482 -5.424 4.122 14 HA TRP 2 HA TRP 2 8.440 -3.311 4.700 15 HB2 TRP 2 HB2 TRP 2 5.470 -2.960 5.061 16 HB3 TRP 2 HB3 TRP 2 6.733 -1.750 5.176 17 HD1 TRP 2 HD1 TRP 2 4.096 -2.454 2.904 18 HE1 TRP 2 HE1 TRP 2 4.527 -1.780 0.390 19 HE3 TRP 2 HE3 TRP 2 9.146 -2.040 3.332 20 HZ2 TRP 2 HZ2 TRP 2 6.879 -1.163 -1.105 21 HZ3 TRP 2 HZ3 TRP 2 10.435 -1.397 1.298 22 HH2 TRP 2 HH2 TRP 2 9.381 -0.965 -0.865 23 H CYS 3 HN CYS 3 9.204 -3.453 6.777 24 HA CYS 3 HA CYS 3 7.523 -4.884 8.695 25 HB2 CYS 3 HB2 CYS 3 10.314 -5.490 7.871 26 HB3 CYS 3 HB3 CYS 3 9.958 -5.583 9.584 27 H VAL 4 HN VAL 4 8.548 -4.434 11.036 28 HA VAL 4 HA VAL 4 9.876 -1.872 11.182 29 HB VAL 4 HB VAL 4 8.204 -0.704 12.288 30 HG11 VAL 4 HG11 VAL 4 6.764 -2.335 10.167 31 HG12 VAL 4 HG12 VAL 4 6.237 -0.762 10.812 32 HG13 VAL 4 HG13 VAL 4 7.751 -0.881 9.885 33 HG21 VAL 4 HG21 VAL 4 5.946 -1.976 12.801 34 HG22 VAL 4 HG22 VAL 4 7.009 -3.403 12.818 35 HG23 VAL 4 HG23 VAL 4 7.317 -2.051 13.934 36 H TYR 5 HN TYR 5 11.447 -2.131 12.675 37 HA TYR 5 HA TYR 5 10.933 -4.096 14.804 38 HB2 TYR 5 HB2 TYR 5 13.274 -3.215 13.074 39 HB3 TYR 5 HB3 TYR 5 13.655 -3.733 14.704 40 HD1 TYR 5 HD1 TYR 5 11.738 -5.962 15.106 41 HD2 TYR 5 HD2 TYR 5 14.081 -4.914 11.684 42 HE1 TYR 5 HE1 TYR 5 11.713 -8.386 14.337 43 HE2 TYR 5 HE2 TYR 5 14.048 -7.341 10.926 44 HH TYR 5 HH TYR 5 12.256 -9.783 12.783 45 H ALA 6 HN ALA 6 11.133 -3.469 16.928 46 HA ALA 6 HA ALA 6 12.214 -0.778 17.389 47 HB1 ALA 6 HB1 ALA 6 10.188 -1.315 19.311 48 HB2 ALA 6 HB2 ALA 6 10.170 -0.092 18.017 49 HB3 ALA 6 HB3 ALA 6 9.501 -1.715 17.718 50 H TYR 7 HN TYR 7 13.322 -0.505 19.395 51 HA TYR 7 HA TYR 7 13.561 -2.853 21.091 52 HB2 TYR 7 HB2 TYR 7 15.310 -3.032 19.273 53 HB3 TYR 7 HB3 TYR 7 15.818 -1.385 19.588 54 HD1 TYR 7 HD1 TYR 7 16.746 -0.873 21.971 55 HD2 TYR 7 HD2 TYR 7 16.365 -4.821 20.366 56 HE1 TYR 7 HE1 TYR 7 18.452 -1.728 23.650 57 HE2 TYR 7 HE2 TYR 7 18.073 -5.662 22.051 58 HH TYR 7 HH TYR 7 20.000 -4.616 23.333 59 H VAL 8 HN VAL 8 13.171 -2.071 23.099 60 HA VAL 8 HA VAL 8 14.235 0.603 23.697 61 HB VAL 8 HB VAL 8 11.889 -0.808 24.976 62 HG11 VAL 8 HG11 VAL 8 13.393 1.586 25.615 63 HG12 VAL 8 HG12 VAL 8 11.692 1.982 25.270 64 HG13 VAL 8 HG13 VAL 8 12.090 0.786 26.527 65 HG21 VAL 8 HG21 VAL 8 11.888 1.331 22.819 66 HG22 VAL 8 HG22 VAL 8 11.385 -0.365 22.624 67 HG23 VAL 8 HG23 VAL 8 10.454 0.724 23.681 68 H ARG 9 HN ARG 9 15.613 0.831 25.431 69 HA ARG 9 HA ARG 9 15.788 -1.363 27.276 70 HB2 ARG 9 HB2 ARG 9 17.526 -2.225 25.995 71 HB3 ARG 9 HB3 ARG 9 17.889 -0.681 25.251 72 HG2 ARG 9 HG2 ARG 9 19.053 0.097 27.255 73 HG3 ARG 9 HG3 ARG 9 18.519 -1.298 28.172 74 HD2 ARG 9 HD2 ARG 9 20.317 -2.490 27.467 75 HD3 ARG 9 HD3 ARG 9 19.842 -2.268 25.795 76 HE ARG 9 HE ARG 9 20.979 0.145 26.298 77 HH11 ARG 9 HH22 ARG 9 22.115 -3.118 27.082 78 HH12 ARG 9 HH21 ARG 9 23.791 -2.686 27.009 79 HH22 ARG 9 HH1 ARG 9 24.399 -0.427 26.491 80 H ILE 10 HN ILE 10 15.618 -0.319 29.235 81 HA ILE 10 HA ILE 10 17.367 1.948 29.710 82 HB ILE 10 HB ILE 10 14.512 2.258 30.518 83 HG12 ILE 10 HG12 ILE 10 15.567 2.994 27.772 84 HG13 ILE 10 HG13 ILE 10 14.433 1.702 28.108 85 HG21 ILE 10 HG21 ILE 10 16.931 3.801 30.610 86 HG22 ILE 10 HG22 ILE 10 15.711 4.663 29.643 87 HG23 ILE 10 HG23 ILE 10 15.333 4.159 31.308 88 HD11 ILE 10 HD11 ILE 10 14.013 4.690 28.501 89 HD12 ILE 10 HD12 ILE 10 13.096 3.582 27.453 90 HD13 ILE 10 HD13 ILE 10 12.930 3.476 29.222 91 H ARG 11 HN ARG 11 17.684 2.359 32.021 92 HA ARG 11 HA ARG 11 18.094 1.693 34.034 93 HB2 ARG 11 HB2 ARG 11 15.322 0.544 33.627 94 HB3 ARG 11 HB3 ARG 11 16.181 0.141 35.100 95 HG2 ARG 11 HG2 ARG 11 15.431 2.114 35.942 96 HG3 ARG 11 HG3 ARG 11 16.585 2.904 34.886 97 HD2 ARG 11 HD2 ARG 11 14.920 3.195 33.135 98 HD3 ARG 11 HD3 ARG 11 13.783 2.139 33.949 99 HE ARG 11 HE ARG 11 14.304 4.144 35.818 100 HH11 ARG 11 HH22 ARG 11 13.108 4.089 32.483 101 HH12 ARG 11 HH21 ARG 11 12.160 5.527 32.668 102 HH22 ARG 11 HH1 ARG 11 12.144 6.659 34.780 103 H GLY 12 HN GLY 12 16.242 -1.312 33.263 104 HA2 GLY 12 HA1 GLY 12 18.650 -2.836 32.749 105 HA3 GLY 12 HA2 GLY 12 17.894 -3.164 34.295 106 H VAL 13 HN VAL 13 15.886 -2.092 31.580 107 HA VAL 13 HA VAL 13 14.935 -4.859 31.294 108 HB VAL 13 HB VAL 13 13.308 -2.316 31.121 109 HG11 VAL 13 HG11 VAL 13 12.008 -3.742 29.922 110 HG12 VAL 13 HG12 VAL 13 12.751 -5.195 30.632 111 HG13 VAL 13 HG13 VAL 13 11.516 -4.293 31.542 112 HG21 VAL 13 HG21 VAL 13 13.572 -2.333 33.376 113 HG22 VAL 13 HG22 VAL 13 12.311 -3.586 33.289 114 HG23 VAL 13 HG23 VAL 13 14.023 -4.054 33.423 115 H LEU 14 HN LEU 14 14.091 -5.413 29.142 116 HA LEU 14 HA LEU 14 14.909 -3.565 27.040 117 HB2 LEU 14 HB2 LEU 14 16.842 -4.952 27.357 118 HB3 LEU 14 HB3 LEU 14 15.871 -6.411 27.332 119 HG LEU 14 HG LEU 14 15.590 -6.369 25.036 120 HD11 LEU 14 HD11 LEU 14 16.029 -4.334 23.625 121 HD12 LEU 14 HD12 LEU 14 14.634 -4.212 24.723 122 HD13 LEU 14 HD13 LEU 14 16.163 -3.400 25.134 123 HD21 LEU 14 HD21 LEU 14 18.297 -5.116 25.562 124 HD22 LEU 14 HD22 LEU 14 17.896 -6.849 25.502 125 HD23 LEU 14 HD23 LEU 14 17.810 -5.864 24.022 126 H VAL 15 HN VAL 15 13.059 -3.185 25.948 127 HA VAL 15 HA VAL 15 11.242 -5.469 25.610 128 HB VAL 15 HB VAL 15 10.396 -2.619 25.284 129 HG11 VAL 15 HG11 VAL 15 8.642 -4.455 26.727 130 HG12 VAL 15 HG12 VAL 15 8.336 -3.496 25.259 131 HG13 VAL 15 HG13 VAL 15 9.119 -5.090 25.134 132 HG21 VAL 15 HG21 VAL 15 11.136 -2.146 27.366 133 HG22 VAL 15 HG22 VAL 15 9.715 -3.086 27.883 134 HG23 VAL 15 HG23 VAL 15 11.315 -3.862 27.807 135 H ARG 16 HN ARG 16 12.092 -6.351 23.711 136 HA ARG 16 HA ARG 16 12.599 -4.540 21.545 137 HB2 ARG 16 HB2 ARG 16 12.876 -7.574 21.812 138 HB3 ARG 16 HB3 ARG 16 13.279 -6.701 20.347 139 HG2 ARG 16 HG2 ARG 16 14.874 -5.267 21.751 140 HG3 ARG 16 HG3 ARG 16 14.574 -6.358 23.089 141 HD2 ARG 16 HD2 ARG 16 15.269 -7.768 20.572 142 HD3 ARG 16 HD3 ARG 16 16.538 -6.700 21.136 143 HE ARG 16 HE ARG 16 15.382 -8.402 23.239 144 HH11 ARG 16 HH22 ARG 16 17.906 -8.120 20.767 145 HH12 ARG 16 HH21 ARG 16 18.939 -9.294 21.511 146 HH22 ARG 16 HH1 ARG 16 18.236 -10.359 23.540 147 H TYR 17 HN TYR 17 10.705 -3.811 20.568 148 HA TYR 17 HA TYR 17 8.497 -5.669 20.246 149 HB2 TYR 17 HB2 TYR 17 8.702 -3.017 20.882 150 HB3 TYR 17 HB3 TYR 17 8.700 -2.837 19.139 151 HD1 TYR 17 HD1 TYR 17 6.740 -4.535 21.852 152 HD2 TYR 17 HD2 TYR 17 6.662 -2.590 18.043 153 HE1 TYR 17 HE1 TYR 17 4.200 -4.651 21.837 154 HE2 TYR 17 HE2 TYR 17 4.122 -2.712 18.040 155 HH TYR 17 HH TYR 17 2.388 -4.224 20.752 156 H ARG 18 HN ARG 18 7.421 -5.947 18.136 157 HA ARG 18 HA ARG 18 9.025 -5.272 15.861 158 HB2 ARG 18 HB2 ARG 18 8.194 -8.179 16.136 159 HB3 ARG 18 HB3 ARG 18 9.414 -7.492 15.083 160 HG2 ARG 18 HG2 ARG 18 10.912 -7.068 16.967 161 HG3 ARG 18 HG3 ARG 18 9.664 -7.488 18.124 162 HD2 ARG 18 HD2 ARG 18 9.617 -9.830 17.037 163 HD3 ARG 18 HD3 ARG 18 11.061 -9.362 16.163 164 HE ARG 18 HE ARG 18 11.193 -8.954 19.082 165 HH11 ARG 18 HH22 ARG 18 11.906 -11.129 16.377 166 HH12 ARG 18 HH21 ARG 18 13.099 -12.029 17.253 167 HH22 ARG 18 HH1 ARG 18 13.588 -11.431 19.521 168 H ARG 19 HN ARG 19 7.808 -5.900 13.760 169 HA ARG 19 HA ARG 19 5.223 -6.804 13.830 170 HB2 ARG 19 HB2 ARG 19 5.105 -4.415 15.037 171 HB3 ARG 19 HB3 ARG 19 5.149 -3.806 13.394 172 HG2 ARG 19 HG2 ARG 19 3.218 -6.041 13.988 173 HG3 ARG 19 HG3 ARG 19 2.833 -4.455 14.628 174 HD2 ARG 19 HD2 ARG 19 3.699 -4.110 11.893 175 HD3 ARG 19 HD3 ARG 19 2.524 -5.409 11.921 176 HE ARG 19 HE ARG 19 0.851 -3.887 12.606 177 HH11 ARG 19 HH22 ARG 19 4.030 -2.327 12.727 178 HH12 ARG 19 HH21 ARG 19 3.380 -0.737 12.944 179 HH22 ARG 19 HH1 ARG 19 1.003 -0.444 13.039 180 H CYS 20 HN CYS 20 4.169 -6.594 11.641 181 HA CYS 20 HA CYS 20 5.798 -5.358 9.605 182 HB2 CYS 20 HB2 CYS 20 5.280 -8.338 9.631 183 HB3 CYS 20 HB3 CYS 20 5.847 -7.442 8.237 184 H TRP 21 HN TRP 21 4.568 -5.416 7.456 185 HA TRP 21 HA TRP 21 1.682 -5.573 8.002 186 HB2 TRP 21 HB2 TRP 21 2.150 -3.318 7.667 187 HB3 TRP 21 HB3 TRP 21 3.326 -3.635 6.407 188 HD1 TRP 21 HD1 TRP 21 -0.235 -2.649 6.806 189 HE1 TRP 21 HE1 TRP 21 -1.587 -2.678 4.540 190 HE3 TRP 21 HE3 TRP 21 3.248 -5.234 4.153 191 HZ2 TRP 21 HZ2 TRP 21 -1.059 -3.756 1.950 192 HZ3 TRP 21 HZ3 TRP 21 2.752 -5.734 1.762 193 HH2 TRP 21 HH2 TRP 21 0.685 -5.039 0.657 194 H1 ARG 31 HN ARG 31 6.683 0.530 4.567 195 HA ARG 31 HA ARG 31 9.237 0.270 3.243 196 HB2 ARG 31 HB2 ARG 31 8.598 2.177 5.529 197 HB3 ARG 31 HB3 ARG 31 9.840 2.345 4.304 198 HG2 ARG 31 HG2 ARG 31 7.369 2.124 2.888 199 HG3 ARG 31 HG3 ARG 31 7.060 3.218 4.222 200 HD2 ARG 31 HD2 ARG 31 9.511 3.535 2.437 201 HD3 ARG 31 HD3 ARG 31 7.969 4.253 2.015 202 HE ARG 31 HE ARG 31 8.736 4.884 4.752 203 HH11 ARG 31 HH22 ARG 31 9.251 5.818 1.373 204 HH12 ARG 31 HH21 ARG 31 9.710 7.442 1.762 205 HH22 ARG 31 HH1 ARG 31 9.757 8.131 4.057 206 H TRP 32 HN TRP 32 10.699 1.220 5.702 207 HA TRP 32 HA TRP 32 10.403 -1.140 7.418 208 HB2 TRP 32 HB2 TRP 32 12.774 -0.289 5.844 209 HB3 TRP 32 HB3 TRP 32 13.065 -0.819 7.489 210 HD1 TRP 32 HD1 TRP 32 11.976 -2.187 4.076 211 HE1 TRP 32 HE1 TRP 32 11.963 -4.825 4.048 212 HE3 TRP 32 HE3 TRP 32 12.724 -2.766 9.072 213 HZ2 TRP 32 HZ2 TRP 32 12.261 -6.814 6.073 214 HZ3 TRP 32 HZ3 TRP 32 12.851 -5.089 9.966 215 HH2 TRP 32 HH2 TRP 32 12.633 -7.073 8.554 216 H CYS 33 HN CYS 33 9.555 -0.090 9.209 217 HA CYS 33 HA CYS 33 10.647 2.485 9.930 218 HB2 CYS 33 HB2 CYS 33 8.256 0.886 10.676 219 HB3 CYS 33 HB3 CYS 33 8.905 1.951 11.907 220 H VAL 34 HN VAL 34 11.544 2.850 12.133 221 HA VAL 34 HA VAL 34 12.293 0.486 13.619 222 HB VAL 34 HB VAL 34 14.693 1.132 13.591 223 HG11 VAL 34 HG11 VAL 34 13.863 -0.738 12.236 224 HG12 VAL 34 HG12 VAL 34 13.514 0.379 10.895 225 HG13 VAL 34 HG13 VAL 34 15.195 0.109 11.413 226 HG21 VAL 34 HG21 VAL 34 13.806 2.962 11.337 227 HG22 VAL 34 HG22 VAL 34 14.551 3.437 12.883 228 HG23 VAL 34 HG23 VAL 34 15.497 2.526 11.681 229 H TYR 35 HN TYR 35 11.942 0.957 15.723 230 HA TYR 35 HA TYR 35 12.502 3.688 16.610 231 HB2 TYR 35 HB2 TYR 35 9.969 2.875 15.984 232 HB3 TYR 35 HB3 TYR 35 10.069 2.119 17.561 233 HD1 TYR 35 HD2 TYR 35 10.613 3.612 19.586 234 HD2 TYR 35 HD1 TYR 35 9.445 5.169 15.775 235 HE1 TYR 35 HE2 TYR 35 9.965 5.816 20.676 236 HE2 TYR 35 HE1 TYR 35 8.801 7.367 16.879 237 HH TYR 35 HH TYR 35 8.024 7.884 19.540 238 H ALA 36 HN ALA 36 14.103 3.386 18.090 239 HA ALA 36 HA ALA 36 13.620 1.307 20.106 240 HB1 ALA 36 HB1 ALA 36 16.196 1.104 20.106 241 HB2 ALA 36 HB2 ALA 36 15.315 0.356 18.752 242 HB3 ALA 36 HB3 ALA 36 16.133 1.921 18.526 243 H TYR 37 HN TYR 37 14.230 1.870 22.243 244 HA TYR 37 HA TYR 37 15.135 4.648 22.560 245 HB2 TYR 37 HB2 TYR 37 12.583 4.045 22.900 246 HB3 TYR 37 HB3 TYR 37 13.109 3.111 24.287 247 HD1 TYR 37 HD2 TYR 37 14.400 4.354 26.150 248 HD2 TYR 37 HD1 TYR 37 12.165 6.355 23.099 249 HE1 TYR 37 HE2 TYR 37 14.294 6.447 27.590 250 HE2 TYR 37 HE1 TYR 37 12.066 8.441 24.549 251 HH TYR 37 HH TYR 37 12.560 8.465 27.705 252 H VAL 38 HN VAL 38 17.295 3.728 22.876 253 HA VAL 38 HA VAL 38 17.553 2.079 25.271 254 HB VAL 38 HB VAL 38 19.470 2.835 23.061 255 HG11 VAL 38 HG11 VAL 38 19.947 1.694 25.737 256 HG12 VAL 38 HG12 VAL 38 20.652 0.754 24.400 257 HG13 VAL 38 HG13 VAL 38 21.075 2.471 24.600 258 HG21 VAL 38 HG21 VAL 38 19.284 0.104 23.083 259 HG22 VAL 38 HG22 VAL 38 17.629 0.578 23.537 260 HG23 VAL 38 HG23 VAL 38 18.344 1.181 22.022 261 H ARG 39 HN ARG 39 18.672 2.763 27.115 262 HA ARG 39 HA ARG 39 19.879 5.361 27.023 263 HB2 ARG 39 HB2 ARG 39 17.481 5.834 27.575 264 HB3 ARG 39 HB3 ARG 39 17.570 4.727 28.931 265 HG2 ARG 39 HG2 ARG 39 19.558 6.205 29.767 266 HG3 ARG 39 HG3 ARG 39 19.011 7.385 28.592 267 HD2 ARG 39 HD2 ARG 39 16.723 6.406 30.108 268 HD3 ARG 39 HD3 ARG 39 17.973 6.931 31.219 269 HE ARG 39 HE ARG 39 16.513 8.625 29.284 270 HH11 ARG 39 HH22 ARG 39 19.218 8.386 31.561 271 HH12 ARG 39 HH21 ARG 39 19.393 10.101 31.726 272 HH22 ARG 39 HH1 ARG 39 17.928 11.553 30.505 273 H ILE 40 HN ILE 40 21.741 5.290 28.265 274 HA ILE 40 HA ILE 40 21.768 3.639 30.642 275 HB ILE 40 HB ILE 40 23.317 3.031 28.161 276 HG12 ILE 40 HG12 ILE 40 21.381 1.716 29.875 277 HG13 ILE 40 HG13 ILE 40 21.910 1.305 28.256 278 HG21 ILE 40 HG21 ILE 40 25.051 3.548 29.798 279 HG22 ILE 40 HG22 ILE 40 24.293 2.444 30.970 280 HG23 ILE 40 HG23 ILE 40 24.990 1.801 29.463 281 HD11 ILE 40 HD11 ILE 40 23.901 0.153 29.151 282 HD12 ILE 40 HD12 ILE 40 23.455 0.637 30.804 283 HD13 ILE 40 HD13 ILE 40 22.426 -0.501 29.902 284 H ARG 41 HN ARG 41 23.796 4.055 31.940 285 HA ARG 41 HA ARG 41 25.034 5.492 32.982 286 HB2 ARG 41 HB2 ARG 41 25.755 6.210 30.107 287 HB3 ARG 41 HB3 ARG 41 26.568 6.964 31.463 288 HG2 ARG 41 HG2 ARG 41 26.358 3.937 31.263 289 HG3 ARG 41 HG3 ARG 41 27.624 4.806 30.418 290 HD2 ARG 41 HD2 ARG 41 27.143 5.245 33.392 291 HD3 ARG 41 HD3 ARG 41 28.138 3.919 32.825 292 HE ARG 41 HE ARG 41 29.057 6.249 31.496 293 HH11 ARG 41 HH22 ARG 41 28.878 5.020 34.814 294 HH12 ARG 41 HH21 ARG 41 30.267 5.906 35.349 295 HH22 ARG 41 HH1 ARG 41 31.433 7.310 33.796 296 H GLY 42 HN GLY 42 24.605 7.759 30.211 297 HA2 GLY 42 HA1 GLY 42 22.553 9.282 31.570 298 HA3 GLY 42 HA2 GLY 42 24.132 10.043 31.551 299 H VAL 43 HN VAL 43 23.234 7.846 28.919 300 HA VAL 43 HA VAL 43 22.721 10.183 27.216 301 HB VAL 43 HB VAL 43 24.111 7.797 26.107 302 HG11 VAL 43 HG11 VAL 43 25.314 10.161 25.231 303 HG12 VAL 43 HG12 VAL 43 24.089 9.201 24.367 304 HG13 VAL 43 HG13 VAL 43 23.589 10.571 25.388 305 HG21 VAL 43 HG21 VAL 43 25.484 9.875 27.842 306 HG22 VAL 43 HG22 VAL 43 25.399 8.120 28.125 307 HG23 VAL 43 HG23 VAL 43 26.328 8.755 26.746 308 H LEU 44 HN LEU 44 20.711 10.087 26.371 309 HA LEU 44 HA LEU 44 19.461 7.446 26.226 310 HB2 LEU 44 HB2 LEU 44 18.030 8.686 27.461 311 HB3 LEU 44 HB3 LEU 44 18.515 10.204 26.731 312 HG LEU 44 HG LEU 44 17.202 9.651 24.709 313 HD11 LEU 44 HD11 LEU 44 16.892 7.454 24.357 314 HD12 LEU 44 HD12 LEU 44 16.941 7.057 26.092 315 HD13 LEU 44 HD13 LEU 44 15.443 7.686 25.365 316 HD21 LEU 44 HD21 LEU 44 16.313 10.698 27.022 317 HD22 LEU 44 HD22 LEU 44 15.299 10.513 25.570 318 HD23 LEU 44 HD23 LEU 44 15.208 9.310 26.879 319 H VAL 45 HN VAL 45 19.646 6.450 24.296 320 HA VAL 45 HA VAL 45 19.815 8.155 21.923 321 HB VAL 45 HB VAL 45 20.298 5.210 21.889 322 HG11 VAL 45 HG11 VAL 45 22.271 6.256 20.434 323 HG12 VAL 45 HG12 VAL 45 20.632 6.030 19.777 324 HG13 VAL 45 HG13 VAL 45 21.146 7.633 20.356 325 HG21 VAL 45 HG21 VAL 45 21.586 5.592 23.789 326 HG22 VAL 45 HG22 VAL 45 22.760 5.838 22.474 327 HG23 VAL 45 HG23 VAL 45 22.027 7.242 23.287 328 H ARG 46 HN ARG 46 17.780 8.632 21.206 329 HA ARG 46 HA ARG 46 15.923 6.395 21.149 330 HB2 ARG 46 HB2 ARG 46 15.270 9.374 20.918 331 HB3 ARG 46 HB3 ARG 46 14.116 8.071 21.115 332 HG2 ARG 46 HG2 ARG 46 15.174 7.518 23.343 333 HG3 ARG 46 HG3 ARG 46 16.244 8.892 23.149 334 HD2 ARG 46 HD2 ARG 46 13.207 9.174 23.048 335 HD3 ARG 46 HD3 ARG 46 14.106 9.285 24.548 336 HE ARG 46 HE ARG 46 15.443 11.056 22.895 337 HH11 ARG 46 HH22 ARG 46 12.045 10.692 23.829 338 HH12 ARG 46 HH21 ARG 46 11.690 12.379 23.663 339 HH22 ARG 46 HH1 ARG 46 13.427 13.883 22.983 340 H TYR 47 HN TYR 47 15.763 5.465 19.132 341 HA TYR 47 HA TYR 47 16.360 7.146 16.812 342 HB2 TYR 47 HB2 TYR 47 17.552 4.934 17.271 343 HB3 TYR 47 HB3 TYR 47 16.001 4.119 17.276 344 HD1 TYR 47 HD2 TYR 47 16.538 6.801 14.847 345 HD2 TYR 47 HD1 TYR 47 16.826 2.585 15.518 346 HE1 TYR 47 HE2 TYR 47 16.733 6.409 12.343 347 HE2 TYR 47 HE1 TYR 47 17.020 2.207 13.011 348 HH TYR 47 HH TYR 47 17.213 4.946 10.785 349 H ARG 48 HN ARG 48 14.839 7.649 15.277 350 HA ARG 48 HA ARG 48 12.418 6.117 15.236 351 HB2 ARG 48 HB2 ARG 48 11.163 8.485 15.197 352 HB3 ARG 48 HB3 ARG 48 11.492 7.671 16.714 353 HG2 ARG 48 HG2 ARG 48 12.967 9.278 17.388 354 HG3 ARG 48 HG3 ARG 48 13.780 9.307 15.836 355 HD2 ARG 48 HD2 ARG 48 12.519 11.071 15.052 356 HD3 ARG 48 HD3 ARG 48 11.043 10.482 15.791 357 HE ARG 48 HE ARG 48 12.552 11.265 17.973 358 HH11 ARG 48 HH22 ARG 48 11.571 12.900 14.987 359 HH12 ARG 48 HH21 ARG 48 11.564 14.476 15.705 360 HH22 ARG 48 HH1 ARG 48 12.140 14.714 18.020 361 H ARG 49 HN ARG 49 12.348 5.611 13.064 362 HA ARG 49 HA ARG 49 11.930 7.552 11.173 363 HB2 ARG 49 HB2 ARG 49 14.498 7.833 11.666 364 HB3 ARG 49 HB3 ARG 49 14.693 6.327 10.792 365 HG2 ARG 49 HG2 ARG 49 14.896 8.537 9.436 366 HG3 ARG 49 HG3 ARG 49 13.921 7.253 8.749 367 HD2 ARG 49 HD2 ARG 49 12.849 9.574 8.692 368 HD3 ARG 49 HD3 ARG 49 11.857 8.318 9.406 369 HE ARG 49 HE ARG 49 13.374 9.481 11.510 370 HH11 ARG 49 HH22 ARG 49 10.816 10.438 9.253 371 HH12 ARG 49 HH21 ARG 49 10.146 11.625 10.321 372 HH22 ARG 49 HH1 ARG 49 11.147 11.966 12.472 373 H CYS 50 HN CYS 50 12.136 6.506 8.825 374 HA CYS 50 HA CYS 50 12.063 3.611 8.961 375 HB2 CYS 50 HB2 CYS 50 9.793 5.011 7.585 376 HB3 CYS 50 HB3 CYS 50 9.928 3.333 8.072 377 H TRP 51 HN TRP 51 12.956 2.732 7.079 378 HA TRP 51 HA TRP 51 13.757 4.685 5.053 379 HB2 TRP 51 HB2 TRP 51 15.630 3.579 5.913 380 HB3 TRP 51 HB3 TRP 51 14.832 2.019 5.928 381 HD1 TRP 51 HD1 TRP 51 17.021 4.156 3.737 382 HE1 TRP 51 HE1 TRP 51 17.522 3.035 1.401 383 HE3 TRP 51 HE3 TRP 51 13.536 0.479 4.165 384 HZ2 TRP 51 HZ2 TRP 51 16.428 0.787 0.025 385 HZ3 TRP 51 HZ3 TRP 51 13.316 -1.138 2.281 386 HH2 TRP 51 HH2 TRP 51 14.692 -1.027 0.263 Start of MODEL 9 1 H1 ARG 1 HN ARG 1 8.763 -7.076 1.281 2 HA ARG 1 HA ARG 1 6.111 -6.336 2.230 3 HB2 ARG 1 HB2 ARG 1 7.042 -8.807 2.479 4 HB3 ARG 1 HB3 ARG 1 8.006 -8.137 3.780 5 HG2 ARG 1 HG2 ARG 1 6.144 -8.678 5.029 6 HG3 ARG 1 HG3 ARG 1 5.615 -7.093 4.502 7 HD2 ARG 1 HD2 ARG 1 3.758 -8.261 3.790 8 HD3 ARG 1 HD3 ARG 1 4.746 -8.547 2.370 9 HE ARG 1 HE ARG 1 5.410 -10.580 4.222 10 HH11 ARG 1 HH22 ARG 1 2.552 -9.540 2.404 11 HH12 ARG 1 HH21 ARG 1 1.866 -11.128 2.333 12 HH22 ARG 1 HH1 ARG 1 3.032 -12.957 3.352 13 H TRP 2 HN TRP 2 5.998 -4.739 3.831 14 HA TRP 2 HA TRP 2 8.518 -3.473 4.521 15 HB2 TRP 2 HB2 TRP 2 5.890 -2.426 5.446 16 HB3 TRP 2 HB3 TRP 2 7.327 -1.569 4.926 17 HD1 TRP 2 HD1 TRP 2 4.186 -1.268 3.750 18 HE1 TRP 2 HE1 TRP 2 3.782 -1.267 1.142 19 HE3 TRP 2 HE3 TRP 2 8.584 -3.515 2.539 20 HZ2 TRP 2 HZ2 TRP 2 5.313 -2.186 -1.084 21 HZ3 TRP 2 HZ3 TRP 2 9.052 -3.927 0.126 22 HH2 TRP 2 HH2 TRP 2 7.501 -3.301 -1.657 23 H CYS 3 HN CYS 3 9.495 -3.751 6.494 24 HA CYS 3 HA CYS 3 7.868 -5.051 8.557 25 HB2 CYS 3 HB2 CYS 3 10.620 -5.606 7.580 26 HB3 CYS 3 HB3 CYS 3 10.359 -5.713 9.309 27 H VAL 4 HN VAL 4 8.915 -4.573 10.847 28 HA VAL 4 HA VAL 4 10.270 -2.021 10.958 29 HB VAL 4 HB VAL 4 8.630 -0.829 12.073 30 HG11 VAL 4 HG11 VAL 4 7.111 -2.496 10.038 31 HG12 VAL 4 HG12 VAL 4 6.620 -0.903 10.662 32 HG13 VAL 4 HG13 VAL 4 8.101 -1.060 9.687 33 HG21 VAL 4 HG21 VAL 4 7.445 -3.513 12.699 34 HG22 VAL 4 HG22 VAL 4 7.790 -2.137 13.774 35 HG23 VAL 4 HG23 VAL 4 6.384 -2.084 12.683 36 H TYR 5 HN TYR 5 11.816 -2.188 12.496 37 HA TYR 5 HA TYR 5 11.350 -4.180 14.613 38 HB2 TYR 5 HB2 TYR 5 13.676 -3.303 12.856 39 HB3 TYR 5 HB3 TYR 5 14.067 -3.836 14.479 40 HD1 TYR 5 HD2 TYR 5 12.168 -6.062 14.896 41 HD2 TYR 5 HD1 TYR 5 14.433 -4.989 11.429 42 HE1 TYR 5 HE2 TYR 5 12.120 -8.479 14.107 43 HE2 TYR 5 HE1 TYR 5 14.378 -7.409 10.652 44 HH TYR 5 HH TYR 5 12.449 -9.804 12.354 45 H ALA 6 HN ALA 6 11.467 -3.499 16.712 46 HA ALA 6 HA ALA 6 12.609 -0.827 17.153 47 HB1 ALA 6 HB1 ALA 6 10.524 -0.149 17.669 48 HB2 ALA 6 HB2 ALA 6 9.891 -1.810 17.580 49 HB3 ALA 6 HB3 ALA 6 10.620 -1.215 19.091 50 H TYR 7 HN TYR 7 13.721 -0.546 19.156 51 HA TYR 7 HA TYR 7 13.955 -2.903 20.850 52 HB2 TYR 7 HB2 TYR 7 15.731 -3.013 19.046 53 HB3 TYR 7 HB3 TYR 7 16.209 -1.367 19.412 54 HD1 TYR 7 HD1 TYR 7 17.159 -0.884 21.761 55 HD2 TYR 7 HD2 TYR 7 16.722 -4.833 20.172 56 HE1 TYR 7 HE1 TYR 7 18.849 -1.758 23.448 57 HE2 TYR 7 HE2 TYR 7 18.414 -5.693 21.864 58 HH TYR 7 HH TYR 7 20.245 -3.497 23.858 59 H VAL 8 HN VAL 8 13.408 -2.096 22.818 60 HA VAL 8 HA VAL 8 14.423 0.580 23.472 61 HB VAL 8 HB VAL 8 12.025 -0.987 24.423 62 HG11 VAL 8 HG11 VAL 8 11.776 1.479 25.593 63 HG12 VAL 8 HG12 VAL 8 12.355 0.011 26.417 64 HG13 VAL 8 HG13 VAL 8 13.523 1.179 25.752 65 HG21 VAL 8 HG21 VAL 8 11.494 1.720 23.603 66 HG22 VAL 8 HG22 VAL 8 12.414 0.884 22.329 67 HG23 VAL 8 HG23 VAL 8 10.882 0.195 22.918 68 H ARG 9 HN ARG 9 15.515 0.911 25.460 69 HA ARG 9 HA ARG 9 15.866 -1.325 27.181 70 HB2 ARG 9 HB2 ARG 9 17.686 -2.065 25.937 71 HB3 ARG 9 HB3 ARG 9 17.981 -0.490 25.229 72 HG2 ARG 9 HG2 ARG 9 19.062 0.315 27.257 73 HG3 ARG 9 HG3 ARG 9 18.551 -1.095 28.163 74 HD2 ARG 9 HD2 ARG 9 20.409 -2.229 27.517 75 HD3 ARG 9 HD3 ARG 9 19.991 -2.014 25.829 76 HE ARG 9 HE ARG 9 21.023 0.434 26.388 77 HH11 ARG 9 HH22 ARG 9 22.242 -2.794 27.197 78 HH12 ARG 9 HH21 ARG 9 23.903 -2.304 27.190 79 HH22 ARG 9 HH1 ARG 9 24.452 -0.021 26.708 80 H ILE 10 HN ILE 10 15.547 -0.307 29.138 81 HA ILE 10 HA ILE 10 17.140 2.068 29.679 82 HB ILE 10 HB ILE 10 14.270 2.114 30.492 83 HG12 ILE 10 HG12 ILE 10 15.303 2.756 27.722 84 HG13 ILE 10 HG13 ILE 10 14.017 1.651 28.163 85 HG21 ILE 10 HG21 ILE 10 15.316 4.622 29.636 86 HG22 ILE 10 HG22 ILE 10 14.878 4.094 31.279 87 HG23 ILE 10 HG23 ILE 10 16.533 3.838 30.673 88 HD11 ILE 10 HD11 ILE 10 12.781 3.526 27.521 89 HD12 ILE 10 HD12 ILE 10 12.932 3.819 29.270 90 HD13 ILE 10 HD13 ILE 10 14.003 4.668 28.130 91 H ARG 11 HN ARG 11 17.581 2.374 31.937 92 HA ARG 11 HA ARG 11 18.026 1.714 33.945 93 HB2 ARG 11 HB2 ARG 11 15.431 0.113 33.692 94 HB3 ARG 11 HB3 ARG 11 16.296 0.325 35.201 95 HG2 ARG 11 HG2 ARG 11 14.649 2.288 33.665 96 HG3 ARG 11 HG3 ARG 11 14.859 2.125 35.398 97 HD2 ARG 11 HD2 ARG 11 17.202 3.084 35.146 98 HD3 ARG 11 HD3 ARG 11 16.864 3.361 33.449 99 HE ARG 11 HE ARG 11 14.780 4.510 35.099 100 HH11 ARG 11 HH22 ARG 11 18.101 5.074 33.999 101 HH12 ARG 11 HH21 ARG 11 18.001 6.793 34.180 102 HH22 ARG 11 HH1 ARG 11 15.961 7.774 34.969 103 H GLY 12 HN GLY 12 16.346 -1.354 32.982 104 HA2 GLY 12 HA1 GLY 12 18.781 -2.741 32.389 105 HA3 GLY 12 HA2 GLY 12 18.177 -3.120 33.989 106 H VAL 13 HN VAL 13 15.975 -2.182 31.346 107 HA VAL 13 HA VAL 13 15.156 -4.996 31.137 108 HB VAL 13 HB VAL 13 13.354 -2.567 31.185 109 HG11 VAL 13 HG11 VAL 13 11.752 -3.895 30.387 110 HG12 VAL 13 HG12 VAL 13 12.948 -5.198 30.192 111 HG13 VAL 13 HG13 VAL 13 12.023 -5.059 31.706 112 HG21 VAL 13 HG21 VAL 13 14.006 -2.726 33.406 113 HG22 VAL 13 HG22 VAL 13 12.569 -3.776 33.371 114 HG23 VAL 13 HG23 VAL 13 14.198 -4.494 33.337 115 H LEU 14 HN LEU 14 15.223 -5.771 29.089 116 HA LEU 14 HA LEU 14 15.524 -3.787 26.960 117 HB2 LEU 14 HB2 LEU 14 17.359 -5.340 27.220 118 HB3 LEU 14 HB3 LEU 14 16.269 -6.709 27.119 119 HG LEU 14 HG LEU 14 16.051 -6.570 24.845 120 HD11 LEU 14 HD11 LEU 14 16.545 -4.417 23.554 121 HD12 LEU 14 HD12 LEU 14 15.069 -4.461 24.549 122 HD13 LEU 14 HD13 LEU 14 16.513 -3.603 25.137 123 HD21 LEU 14 HD21 LEU 14 18.751 -5.288 25.345 124 HD22 LEU 14 HD22 LEU 14 18.382 -7.029 25.305 125 HD23 LEU 14 HD23 LEU 14 18.240 -6.055 23.822 126 H VAL 15 HN VAL 15 13.688 -3.268 25.906 127 HA VAL 15 HA VAL 15 11.694 -5.407 25.611 128 HB VAL 15 HB VAL 15 11.110 -2.470 25.402 129 HG11 VAL 15 HG11 VAL 15 9.135 -4.194 26.676 130 HG12 VAL 15 HG12 VAL 15 8.976 -3.129 25.258 131 HG13 VAL 15 HG13 VAL 15 9.592 -4.787 25.061 132 HG21 VAL 15 HG21 VAL 15 11.750 -2.176 27.533 133 HG22 VAL 15 HG22 VAL 15 10.323 -3.148 27.964 134 HG23 VAL 15 HG23 VAL 15 11.918 -3.925 27.818 135 H ARG 16 HN ARG 16 12.506 -6.312 23.685 136 HA ARG 16 HA ARG 16 12.958 -4.483 21.512 137 HB2 ARG 16 HB2 ARG 16 13.264 -7.521 21.712 138 HB3 ARG 16 HB3 ARG 16 13.684 -6.587 20.291 139 HG2 ARG 16 HG2 ARG 16 15.272 -5.221 21.748 140 HG3 ARG 16 HG3 ARG 16 14.934 -6.327 23.065 141 HD2 ARG 16 HD2 ARG 16 16.522 -6.783 20.561 142 HD3 ARG 16 HD3 ARG 16 16.815 -7.373 22.185 143 HE ARG 16 HE ARG 16 15.162 -8.659 20.126 144 HH11 ARG 16 HH22 ARG 16 15.881 -8.486 23.591 145 HH12 ARG 16 HH21 ARG 16 15.253 -10.065 23.927 146 HH22 ARG 16 HH1 ARG 16 14.347 -11.373 22.135 147 H TYR 17 HN TYR 17 11.218 -3.890 20.256 148 HA TYR 17 HA TYR 17 8.965 -5.755 20.101 149 HB2 TYR 17 HB2 TYR 17 9.114 -3.099 20.744 150 HB3 TYR 17 HB3 TYR 17 9.081 -2.916 19.002 151 HD1 TYR 17 HD1 TYR 17 7.179 -4.278 21.894 152 HD2 TYR 17 HD2 TYR 17 7.048 -3.109 17.781 153 HE1 TYR 17 HE1 TYR 17 4.643 -4.459 21.916 154 HE2 TYR 17 HE2 TYR 17 4.513 -3.294 17.816 155 HH TYR 17 HH TYR 17 2.723 -3.146 19.514 156 H ARG 18 HN ARG 18 7.860 -6.021 17.994 157 HA ARG 18 HA ARG 18 9.440 -5.316 15.711 158 HB2 ARG 18 HB2 ARG 18 9.967 -7.481 14.976 159 HB3 ARG 18 HB3 ARG 18 10.133 -7.683 16.708 160 HG2 ARG 18 HG2 ARG 18 7.727 -8.486 16.794 161 HG3 ARG 18 HG3 ARG 18 7.671 -8.393 15.045 162 HD2 ARG 18 HD2 ARG 18 10.030 -9.892 16.010 163 HD3 ARG 18 HD3 ARG 18 8.523 -10.604 16.552 164 HE ARG 18 HE ARG 18 9.521 -10.547 13.823 165 HH11 ARG 18 HH22 ARG 18 6.540 -10.593 15.738 166 HH12 ARG 18 HH21 ARG 18 5.594 -11.310 14.476 167 HH22 ARG 18 HH1 ARG 18 6.634 -11.830 12.380 168 H ARG 19 HN ARG 19 8.211 -5.997 13.613 169 HA ARG 19 HA ARG 19 5.625 -6.895 13.722 170 HB2 ARG 19 HB2 ARG 19 5.501 -4.502 14.895 171 HB3 ARG 19 HB3 ARG 19 5.573 -3.898 13.252 172 HG2 ARG 19 HG2 ARG 19 3.608 -6.107 13.855 173 HG3 ARG 19 HG3 ARG 19 3.232 -4.497 14.437 174 HD2 ARG 19 HD2 ARG 19 4.135 -4.178 11.737 175 HD3 ARG 19 HD3 ARG 19 3.035 -5.543 11.728 176 HE ARG 19 HE ARG 19 1.259 -4.094 12.218 177 HH11 ARG 19 HH22 ARG 19 4.315 -2.430 12.884 178 HH12 ARG 19 HH21 ARG 19 3.562 -0.894 13.159 179 HH22 ARG 19 HH1 ARG 19 1.180 -0.705 12.976 180 H CYS 20 HN CYS 20 4.570 -6.764 11.541 181 HA CYS 20 HA CYS 20 6.157 -5.541 9.465 182 HB2 CYS 20 HB2 CYS 20 5.713 -8.530 9.575 183 HB3 CYS 20 HB3 CYS 20 6.229 -7.661 8.144 184 H TRP 21 HN TRP 21 4.898 -5.454 7.410 185 HA TRP 21 HA TRP 21 2.031 -5.614 7.979 186 HB2 TRP 21 HB2 TRP 21 2.516 -3.445 7.357 187 HB3 TRP 21 HB3 TRP 21 3.727 -3.924 6.184 188 HD1 TRP 21 HD1 TRP 21 0.094 -2.997 6.401 189 HE1 TRP 21 HE1 TRP 21 -1.151 -3.204 4.083 190 HE3 TRP 21 HE3 TRP 21 3.804 -5.551 4.041 191 HZ2 TRP 21 HZ2 TRP 21 -0.460 -4.386 1.579 192 HZ3 TRP 21 HZ3 TRP 21 3.439 -6.193 1.660 193 HH2 TRP 21 HH2 TRP 21 1.396 -5.652 0.433 194 H1 ARG 31 HN ARG 31 8.393 -1.598 3.298 195 HA ARG 31 HA ARG 31 9.947 0.809 3.405 196 HB2 ARG 31 HB2 ARG 31 7.343 1.279 3.677 197 HB3 ARG 31 HB3 ARG 31 7.567 0.614 5.282 198 HG2 ARG 31 HG2 ARG 31 8.381 2.605 5.989 199 HG3 ARG 31 HG3 ARG 31 9.725 2.447 4.876 200 HD2 ARG 31 HD2 ARG 31 8.480 4.557 4.464 201 HD3 ARG 31 HD3 ARG 31 8.397 3.503 3.066 202 HE ARG 31 HE ARG 31 6.143 2.806 4.531 203 HH11 ARG 31 HH22 ARG 31 7.394 5.862 3.247 204 HH12 ARG 31 HH21 ARG 31 5.824 6.568 3.055 205 HH22 ARG 31 HH1 ARG 31 3.884 5.300 3.668 206 H TRP 32 HN TRP 32 11.040 1.056 5.552 207 HA TRP 32 HA TRP 32 10.838 -1.320 7.248 208 HB2 TRP 32 HB2 TRP 32 13.196 -0.436 5.675 209 HB3 TRP 32 HB3 TRP 32 13.492 -0.933 7.329 210 HD1 TRP 32 HD1 TRP 32 12.648 -2.379 3.914 211 HE1 TRP 32 HE1 TRP 32 12.626 -5.018 3.935 212 HE3 TRP 32 HE3 TRP 32 12.919 -2.864 8.969 213 HZ2 TRP 32 HZ2 TRP 32 12.723 -6.968 6.017 214 HZ3 TRP 32 HZ3 TRP 32 12.951 -5.170 9.914 215 HH2 TRP 32 HH2 TRP 32 12.858 -7.180 8.526 216 H CYS 33 HN CYS 33 9.945 -0.259 9.013 217 HA CYS 33 HA CYS 33 10.985 2.342 9.715 218 HB2 CYS 33 HB2 CYS 33 8.610 0.716 10.446 219 HB3 CYS 33 HB3 CYS 33 9.229 1.797 11.679 220 H VAL 34 HN VAL 34 11.859 2.750 11.917 221 HA VAL 34 HA VAL 34 12.621 0.421 13.448 222 HB VAL 34 HB VAL 34 14.993 0.948 13.402 223 HG11 VAL 34 HG11 VAL 34 15.512 -0.033 11.313 224 HG12 VAL 34 HG12 VAL 34 13.888 -0.635 11.726 225 HG13 VAL 34 HG13 VAL 34 14.076 0.670 10.531 226 HG21 VAL 34 HG21 VAL 34 15.895 2.522 11.693 227 HG22 VAL 34 HG22 VAL 34 14.231 3.052 11.350 228 HG23 VAL 34 HG23 VAL 34 14.939 3.327 12.960 229 H TYR 35 HN TYR 35 12.259 0.923 15.545 230 HA TYR 35 HA TYR 35 12.796 3.668 16.395 231 HB2 TYR 35 HB2 TYR 35 10.270 2.858 15.733 232 HB3 TYR 35 HB3 TYR 35 10.336 2.126 17.324 233 HD1 TYR 35 HD2 TYR 35 10.548 3.551 19.354 234 HD2 TYR 35 HD1 TYR 35 10.065 5.248 15.456 235 HE1 TYR 35 HE2 TYR 35 9.893 5.776 20.396 236 HE2 TYR 35 HE1 TYR 35 9.411 7.467 16.511 237 HH TYR 35 HH TYR 35 9.620 8.646 18.493 238 H ALA 36 HN ALA 36 14.223 3.518 18.047 239 HA ALA 36 HA ALA 36 13.754 1.396 20.013 240 HB1 ALA 36 HB1 ALA 36 16.245 2.006 18.432 241 HB2 ALA 36 HB2 ALA 36 16.395 1.406 20.101 242 HB3 ALA 36 HB3 ALA 36 15.543 0.432 18.879 243 H TYR 37 HN TYR 37 14.251 1.986 22.172 244 HA TYR 37 HA TYR 37 15.043 4.796 22.512 245 HB2 TYR 37 HB2 TYR 37 12.506 4.087 22.764 246 HB3 TYR 37 HB3 TYR 37 13.021 3.184 24.174 247 HD1 TYR 37 HD1 TYR 37 14.147 4.470 26.093 248 HD2 TYR 37 HD2 TYR 37 12.032 6.398 22.912 249 HE1 TYR 37 HE1 TYR 37 13.903 6.563 27.515 250 HE2 TYR 37 HE2 TYR 37 11.795 8.485 24.345 251 HH TYR 37 HH TYR 37 13.126 8.568 27.642 252 H VAL 38 HN VAL 38 17.227 3.915 22.885 253 HA VAL 38 HA VAL 38 17.472 2.275 25.278 254 HB VAL 38 HB VAL 38 19.480 3.216 23.220 255 HG11 VAL 38 HG11 VAL 38 20.940 2.822 24.907 256 HG12 VAL 38 HG12 VAL 38 19.785 1.823 25.822 257 HG13 VAL 38 HG13 VAL 38 20.680 1.120 24.453 258 HG21 VAL 38 HG21 VAL 38 18.733 0.345 23.580 259 HG22 VAL 38 HG22 VAL 38 17.571 1.410 22.752 260 HG23 VAL 38 HG23 VAL 38 19.223 1.228 22.114 261 H ARG 39 HN ARG 39 18.479 2.977 27.183 262 HA ARG 39 HA ARG 39 19.530 5.642 27.203 263 HB2 ARG 39 HB2 ARG 39 17.073 5.941 27.651 264 HB3 ARG 39 HB3 ARG 39 17.192 4.840 29.009 265 HG2 ARG 39 HG2 ARG 39 19.057 6.456 29.897 266 HG3 ARG 39 HG3 ARG 39 18.437 7.598 28.721 267 HD2 ARG 39 HD2 ARG 39 16.198 6.440 30.168 268 HD3 ARG 39 HD3 ARG 39 17.383 7.014 31.324 269 HE ARG 39 HE ARG 39 15.865 8.662 29.397 270 HH11 ARG 39 HH22 ARG 39 18.525 8.536 31.734 271 HH12 ARG 39 HH21 ARG 39 18.585 10.254 31.946 272 HH22 ARG 39 HH1 ARG 39 17.058 11.641 30.726 273 H ILE 40 HN ILE 40 21.349 5.626 28.504 274 HA ILE 40 HA ILE 40 21.359 3.951 30.864 275 HB ILE 40 HB ILE 40 23.018 3.430 28.436 276 HG12 ILE 40 HG12 ILE 40 21.084 2.021 30.076 277 HG13 ILE 40 HG13 ILE 40 21.685 1.642 28.474 278 HG21 ILE 40 HG21 ILE 40 23.925 2.874 31.274 279 HG22 ILE 40 HG22 ILE 40 24.694 2.257 29.792 280 HG23 ILE 40 HG23 ILE 40 24.676 4.006 30.124 281 HD11 ILE 40 HD11 ILE 40 23.687 0.565 29.425 282 HD12 ILE 40 HD12 ILE 40 23.179 1.030 31.066 283 HD13 ILE 40 HD13 ILE 40 22.220 -0.147 30.138 284 H ARG 41 HN ARG 41 23.305 4.445 32.247 285 HA ARG 41 HA ARG 41 24.437 5.925 33.347 286 HB2 ARG 41 HB2 ARG 41 25.261 6.680 30.509 287 HB3 ARG 41 HB3 ARG 41 25.985 7.456 31.904 288 HG2 ARG 41 HG2 ARG 41 25.894 4.424 31.669 289 HG3 ARG 41 HG3 ARG 41 27.172 5.350 30.906 290 HD2 ARG 41 HD2 ARG 41 26.509 5.725 33.855 291 HD3 ARG 41 HD3 ARG 41 27.588 4.450 33.325 292 HE ARG 41 HE ARG 41 28.232 7.139 32.291 293 HH11 ARG 41 HH22 ARG 41 28.855 4.715 34.799 294 HH12 ARG 41 HH21 ARG 41 30.384 5.392 35.249 295 HH22 ARG 41 HH1 ARG 41 31.184 7.343 34.110 296 H GLY 42 HN GLY 42 24.038 8.175 30.556 297 HA2 GLY 42 HA1 GLY 42 21.875 9.619 31.823 298 HA3 GLY 42 HA2 GLY 42 23.423 10.439 31.879 299 H VAL 43 HN VAL 43 22.736 8.218 29.204 300 HA VAL 43 HA VAL 43 22.217 10.540 27.482 301 HB VAL 43 HB VAL 43 23.738 8.204 26.437 302 HG11 VAL 43 HG11 VAL 43 23.728 9.614 24.698 303 HG12 VAL 43 HG12 VAL 43 23.166 10.970 25.705 304 HG13 VAL 43 HG13 VAL 43 24.903 10.595 25.606 305 HG21 VAL 43 HG21 VAL 43 24.833 10.206 28.409 306 HG22 VAL 43 HG22 VAL 43 25.057 8.441 28.351 307 HG23 VAL 43 HG23 VAL 43 25.875 9.482 27.161 308 H LEU 44 HN LEU 44 20.261 10.377 26.528 309 HA LEU 44 HA LEU 44 19.103 7.697 26.336 310 HB2 LEU 44 HB2 LEU 44 17.570 8.892 27.488 311 HB3 LEU 44 HB3 LEU 44 18.047 10.424 26.784 312 HG LEU 44 HG LEU 44 16.861 9.831 24.694 313 HD11 LEU 44 HD11 LEU 44 16.615 7.233 26.061 314 HD12 LEU 44 HD12 LEU 44 15.123 7.816 25.284 315 HD13 LEU 44 HD13 LEU 44 16.612 7.632 24.326 316 HD21 LEU 44 HD21 LEU 44 14.882 10.629 25.449 317 HD22 LEU 44 HD22 LEU 44 14.776 9.444 26.773 318 HD23 LEU 44 HD23 LEU 44 15.825 10.872 26.939 319 H VAL 45 HN VAL 45 19.413 6.700 24.422 320 HA VAL 45 HA VAL 45 19.650 8.401 22.052 321 HB VAL 45 HB VAL 45 20.233 5.465 22.112 322 HG11 VAL 45 HG11 VAL 45 20.320 7.196 20.090 323 HG12 VAL 45 HG12 VAL 45 21.936 7.519 20.761 324 HG13 VAL 45 HG13 VAL 45 21.499 5.873 20.246 325 HG21 VAL 45 HG21 VAL 45 21.436 6.052 24.043 326 HG22 VAL 45 HG22 VAL 45 22.637 6.157 22.734 327 HG23 VAL 45 HG23 VAL 45 21.900 7.640 23.386 328 H ARG 46 HN ARG 46 17.633 8.817 21.245 329 HA ARG 46 HA ARG 46 15.843 6.530 21.117 330 HB2 ARG 46 HB2 ARG 46 15.141 9.490 20.797 331 HB3 ARG 46 HB3 ARG 46 14.003 8.165 20.946 332 HG2 ARG 46 HG2 ARG 46 14.938 7.666 23.240 333 HG3 ARG 46 HG3 ARG 46 15.992 9.058 23.087 334 HD2 ARG 46 HD2 ARG 46 12.967 9.295 22.787 335 HD3 ARG 46 HD3 ARG 46 13.752 9.410 24.349 336 HE ARG 46 HE ARG 46 15.050 11.168 22.461 337 HH11 ARG 46 HH22 ARG 46 12.111 10.889 24.421 338 HH12 ARG 46 HH21 ARG 46 11.867 12.601 24.521 339 HH22 ARG 46 HH1 ARG 46 13.418 14.073 23.440 340 H TYR 47 HN TYR 47 15.758 5.566 19.113 341 HA TYR 47 HA TYR 47 16.480 7.199 16.794 342 HB2 TYR 47 HB2 TYR 47 17.636 4.990 17.366 343 HB3 TYR 47 HB3 TYR 47 16.083 4.181 17.290 344 HD1 TYR 47 HD1 TYR 47 16.785 6.824 14.858 345 HD2 TYR 47 HD2 TYR 47 16.999 2.617 15.608 346 HE1 TYR 47 HE1 TYR 47 17.129 6.392 12.377 347 HE2 TYR 47 HE2 TYR 47 17.342 2.200 13.124 348 HH TYR 47 HH TYR 47 16.828 4.645 10.798 349 H ARG 48 HN ARG 48 15.049 7.655 15.156 350 HA ARG 48 HA ARG 48 12.619 6.140 15.044 351 HB2 ARG 48 HB2 ARG 48 11.270 8.352 14.944 352 HB3 ARG 48 HB3 ARG 48 11.811 7.834 16.529 353 HG2 ARG 48 HG2 ARG 48 13.974 9.312 15.862 354 HG3 ARG 48 HG3 ARG 48 12.806 10.115 14.832 355 HD2 ARG 48 HD2 ARG 48 11.379 9.943 17.195 356 HD3 ARG 48 HD3 ARG 48 13.013 10.104 17.808 357 HE ARG 48 HE ARG 48 11.461 12.186 16.572 358 HH11 ARG 48 HH22 ARG 48 14.784 10.964 16.712 359 HH12 ARG 48 HH21 ARG 48 15.497 12.503 16.363 360 HH22 ARG 48 HH1 ARG 48 14.077 14.402 16.012 361 H ARG 49 HN ARG 49 12.588 5.572 12.889 362 HA ARG 49 HA ARG 49 12.338 7.459 10.916 363 HB2 ARG 49 HB2 ARG 49 14.892 7.649 11.512 364 HB3 ARG 49 HB3 ARG 49 15.059 6.105 10.702 365 HG2 ARG 49 HG2 ARG 49 15.419 8.245 9.276 366 HG3 ARG 49 HG3 ARG 49 14.410 6.985 8.595 367 HD2 ARG 49 HD2 ARG 49 13.460 9.355 8.413 368 HD3 ARG 49 HD3 ARG 49 12.378 8.173 9.122 369 HE ARG 49 HE ARG 49 14.052 9.656 11.052 370 HH11 ARG 49 HH22 ARG 49 10.921 9.449 9.407 371 HH12 ARG 49 HH21 ARG 49 10.102 10.431 10.575 372 HH22 ARG 49 HH1 ARG 49 11.328 11.303 12.441 373 H CYS 50 HN CYS 50 12.579 6.325 8.620 374 HA CYS 50 HA CYS 50 12.400 3.441 8.840 375 HB2 CYS 50 HB2 CYS 50 10.200 4.929 7.422 376 HB3 CYS 50 HB3 CYS 50 10.285 3.226 7.826 377 H TRP 51 HN TRP 51 12.004 2.625 6.365 378 HA TRP 51 HA TRP 51 13.461 4.427 4.570 379 HB2 TRP 51 HB2 TRP 51 14.194 1.625 5.350 380 HB3 TRP 51 HB3 TRP 51 14.569 2.215 3.743 381 HD1 TRP 51 HD1 TRP 51 16.198 4.557 3.734 382 HE1 TRP 51 HE1 TRP 51 18.220 5.260 5.277 383 HE3 TRP 51 HE3 TRP 51 15.041 1.427 7.570 384 HZ2 TRP 51 HZ2 TRP 51 19.090 4.446 7.870 385 HZ3 TRP 51 HZ3 TRP 51 16.528 1.443 9.571 386 HH2 TRP 51 HH2 TRP 51 18.493 2.884 9.758 Start of MODEL 10 1 H1 ARG 1 HN ARG 1 9.017 -7.812 2.356 2 HA ARG 1 HA ARG 1 6.817 -6.014 1.887 3 HB2 ARG 1 HB2 ARG 1 7.436 -8.175 3.921 4 HB3 ARG 1 HB3 ARG 1 6.221 -6.974 4.312 5 HG2 ARG 1 HG2 ARG 1 5.909 -8.066 1.579 6 HG3 ARG 1 HG3 ARG 1 5.800 -9.301 2.817 7 HD2 ARG 1 HD2 ARG 1 4.281 -7.156 3.857 8 HD3 ARG 1 HD3 ARG 1 3.889 -7.166 2.149 9 HE ARG 1 HE ARG 1 3.844 -9.854 3.245 10 HH11 ARG 1 HH22 ARG 1 1.943 -6.873 3.021 11 HH12 ARG 1 HH21 ARG 1 0.424 -7.679 3.229 12 HH22 ARG 1 HH1 ARG 1 0.388 -10.058 3.521 13 H TRP 2 HN TRP 2 6.136 -4.677 3.989 14 HA TRP 2 HA TRP 2 8.509 -3.178 4.752 15 HB2 TRP 2 HB2 TRP 2 5.765 -2.368 5.574 16 HB3 TRP 2 HB3 TRP 2 7.141 -1.387 5.111 17 HD1 TRP 2 HD1 TRP 2 4.027 -1.378 3.812 18 HE1 TRP 2 HE1 TRP 2 3.730 -1.396 1.190 19 HE3 TRP 2 HE3 TRP 2 8.667 -3.178 2.774 20 HZ2 TRP 2 HZ2 TRP 2 5.431 -2.144 -0.975 21 HZ3 TRP 2 HZ3 TRP 2 9.270 -3.523 0.380 22 HH2 TRP 2 HH2 TRP 2 7.739 -3.038 -1.463 23 H CYS 3 HN CYS 3 9.475 -3.500 6.714 24 HA CYS 3 HA CYS 3 7.841 -4.816 8.761 25 HB2 CYS 3 HB2 CYS 3 10.598 -5.374 7.801 26 HB3 CYS 3 HB3 CYS 3 10.328 -5.478 9.530 27 H VAL 4 HN VAL 4 8.859 -4.330 11.057 28 HA VAL 4 HA VAL 4 10.223 -1.784 11.175 29 HB VAL 4 HB VAL 4 8.575 -0.591 12.292 30 HG11 VAL 4 HG11 VAL 4 8.108 -0.788 9.886 31 HG12 VAL 4 HG12 VAL 4 7.084 -2.211 10.197 32 HG13 VAL 4 HG13 VAL 4 6.607 -0.615 10.827 33 HG21 VAL 4 HG21 VAL 4 7.360 -3.274 12.849 34 HG22 VAL 4 HG22 VAL 4 7.675 -1.910 13.949 35 HG23 VAL 4 HG23 VAL 4 6.302 -1.844 12.818 36 H TYR 5 HN TYR 5 11.788 -2.019 12.681 37 HA TYR 5 HA TYR 5 11.270 -3.969 14.825 38 HB2 TYR 5 HB2 TYR 5 13.605 -3.160 13.053 39 HB3 TYR 5 HB3 TYR 5 13.999 -3.654 14.688 40 HD1 TYR 5 HD2 TYR 5 11.999 -4.835 11.739 41 HD2 TYR 5 HD1 TYR 5 14.415 -5.905 15.104 42 HE1 TYR 5 HE2 TYR 5 11.922 -7.275 11.028 43 HE2 TYR 5 HE1 TYR 5 14.329 -8.341 14.382 44 HH TYR 5 HH TYR 5 12.496 -9.720 12.921 45 H ALA 6 HN ALA 6 11.421 -3.286 16.925 46 HA ALA 6 HA ALA 6 12.593 -0.624 17.345 47 HB1 ALA 6 HB1 ALA 6 9.866 -1.588 17.812 48 HB2 ALA 6 HB2 ALA 6 10.618 -0.951 19.294 49 HB3 ALA 6 HB3 ALA 6 10.507 0.072 17.842 50 H TYR 7 HN TYR 7 13.820 -0.379 19.249 51 HA TYR 7 HA TYR 7 14.051 -2.771 20.926 52 HB2 TYR 7 HB2 TYR 7 15.851 -2.628 19.108 53 HB3 TYR 7 HB3 TYR 7 16.272 -1.028 19.686 54 HD1 TYR 7 HD2 TYR 7 16.945 -0.895 22.251 55 HD2 TYR 7 HD1 TYR 7 17.052 -4.464 19.893 56 HE1 TYR 7 HE2 TYR 7 18.608 -1.926 23.874 57 HE2 TYR 7 HE1 TYR 7 18.715 -5.482 21.524 58 HH TYR 7 HH TYR 7 20.475 -3.786 23.596 59 H VAL 8 HN VAL 8 13.356 -2.057 22.891 60 HA VAL 8 HA VAL 8 14.277 0.606 23.716 61 HB VAL 8 HB VAL 8 11.915 -1.028 24.664 62 HG11 VAL 8 HG11 VAL 8 13.142 1.539 25.575 63 HG12 VAL 8 HG12 VAL 8 11.366 1.432 25.548 64 HG13 VAL 8 HG13 VAL 8 12.313 0.269 26.506 65 HG21 VAL 8 HG21 VAL 8 11.883 -0.010 22.282 66 HG22 VAL 8 HG22 VAL 8 10.507 0.315 23.365 67 HG23 VAL 8 HG23 VAL 8 11.757 1.557 23.116 68 H ARG 9 HN ARG 9 15.242 0.861 25.783 69 HA ARG 9 HA ARG 9 15.521 -1.421 27.438 70 HB2 ARG 9 HB2 ARG 9 17.374 -2.144 26.214 71 HB3 ARG 9 HB3 ARG 9 17.752 -0.536 25.629 72 HG2 ARG 9 HG2 ARG 9 18.797 0.097 27.701 73 HG3 ARG 9 HG3 ARG 9 18.099 -1.259 28.564 74 HD2 ARG 9 HD2 ARG 9 19.857 -2.592 28.015 75 HD3 ARG 9 HD3 ARG 9 19.634 -2.267 26.307 76 HE ARG 9 HE ARG 9 20.844 0.038 27.099 77 HH11 ARG 9 HH22 ARG 9 21.652 -3.340 27.802 78 HH12 ARG 9 HH21 ARG 9 23.348 -3.029 27.966 79 HH22 ARG 9 HH1 ARG 9 24.166 -0.795 27.676 80 H ILE 10 HN ILE 10 15.127 -0.444 29.403 81 HA ILE 10 HA ILE 10 16.796 1.783 30.169 82 HB ILE 10 HB ILE 10 13.864 2.195 30.537 83 HG12 ILE 10 HG12 ILE 10 15.349 2.947 28.002 84 HG13 ILE 10 HG13 ILE 10 14.146 1.680 28.127 85 HG21 ILE 10 HG21 ILE 10 14.630 4.045 31.487 86 HG22 ILE 10 HG22 ILE 10 16.300 3.636 31.026 87 HG23 ILE 10 HG23 ILE 10 15.270 4.564 29.910 88 HD11 ILE 10 HD11 ILE 10 13.789 4.661 28.228 89 HD12 ILE 10 HD12 ILE 10 12.773 3.421 27.454 90 HD13 ILE 10 HD13 ILE 10 12.688 3.669 29.215 91 H ARG 11 HN ARG 11 16.778 2.124 32.508 92 HA ARG 11 HA ARG 11 16.599 1.524 34.585 93 HB2 ARG 11 HB2 ARG 11 14.252 0.030 33.456 94 HB3 ARG 11 HB3 ARG 11 14.838 -0.536 35.007 95 HG2 ARG 11 HG2 ARG 11 13.669 1.148 35.979 96 HG3 ARG 11 HG3 ARG 11 14.817 2.272 35.277 97 HD2 ARG 11 HD2 ARG 11 13.418 2.764 33.429 98 HD3 ARG 11 HD3 ARG 11 12.525 1.264 33.572 99 HE ARG 11 HE ARG 11 12.159 2.842 35.957 100 HH11 ARG 11 HH22 ARG 11 11.158 2.700 32.561 101 HH12 ARG 11 HH21 ARG 11 9.661 3.525 32.838 102 HH22 ARG 11 HH1 ARG 11 9.108 4.239 35.058 103 H GLY 12 HN GLY 12 16.465 -1.211 32.232 104 HA2 GLY 12 HA1 GLY 12 18.832 -2.344 32.529 105 HA3 GLY 12 HA2 GLY 12 18.058 -2.906 33.997 106 H VAL 13 HN VAL 13 15.369 -2.645 32.288 107 HA VAL 13 HA VAL 13 15.509 -5.398 31.387 108 HB VAL 13 HB VAL 13 13.185 -3.470 31.567 109 HG11 VAL 13 HG11 VAL 13 13.444 -6.349 30.797 110 HG12 VAL 13 HG12 VAL 13 12.019 -5.857 31.744 111 HG13 VAL 13 HG13 VAL 13 12.353 -5.089 30.173 112 HG21 VAL 13 HG21 VAL 13 14.491 -5.259 33.575 113 HG22 VAL 13 HG22 VAL 13 13.701 -3.678 33.789 114 HG23 VAL 13 HG23 VAL 13 12.714 -5.146 33.586 115 H LEU 14 HN LEU 14 15.358 -6.070 29.256 116 HA LEU 14 HA LEU 14 15.580 -3.908 27.297 117 HB2 LEU 14 HB2 LEU 14 17.453 -5.397 27.350 118 HB3 LEU 14 HB3 LEU 14 16.416 -6.806 27.254 119 HG LEU 14 HG LEU 14 16.081 -6.603 25.000 120 HD11 LEU 14 HD11 LEU 14 16.516 -4.313 23.817 121 HD12 LEU 14 HD12 LEU 14 14.996 -4.592 24.701 122 HD13 LEU 14 HD13 LEU 14 16.303 -3.646 25.453 123 HD21 LEU 14 HD21 LEU 14 18.449 -6.968 25.319 124 HD22 LEU 14 HD22 LEU 14 18.189 -5.940 23.890 125 HD23 LEU 14 HD23 LEU 14 18.742 -5.215 25.419 126 H VAL 15 HN VAL 15 13.749 -3.352 26.259 127 HA VAL 15 HA VAL 15 11.789 -5.497 25.813 128 HB VAL 15 HB VAL 15 11.130 -2.568 25.922 129 HG11 VAL 15 HG11 VAL 15 9.648 -4.788 25.255 130 HG12 VAL 15 HG12 VAL 15 9.244 -4.568 26.975 131 HG13 VAL 15 HG13 VAL 15 8.984 -3.237 25.822 132 HG21 VAL 15 HG21 VAL 15 11.817 -2.516 28.064 133 HG22 VAL 15 HG22 VAL 15 10.372 -3.503 28.394 134 HG23 VAL 15 HG23 VAL 15 11.953 -4.288 28.165 135 H ARG 16 HN ARG 16 12.515 -6.190 23.786 136 HA ARG 16 HA ARG 16 12.866 -4.120 21.803 137 HB2 ARG 16 HB2 ARG 16 13.371 -7.137 21.670 138 HB3 ARG 16 HB3 ARG 16 13.738 -6.013 20.377 139 HG2 ARG 16 HG2 ARG 16 15.284 -4.766 21.915 140 HG3 ARG 16 HG3 ARG 16 14.933 -5.918 23.188 141 HD2 ARG 16 HD2 ARG 16 17.057 -6.484 22.015 142 HD3 ARG 16 HD3 ARG 16 15.874 -7.765 21.838 143 HE ARG 16 HE ARG 16 15.598 -5.931 19.645 144 HH11 ARG 16 HH22 ARG 16 17.807 -8.422 20.856 145 HH12 ARG 16 HH21 ARG 16 18.411 -8.827 19.284 146 HH22 ARG 16 HH1 ARG 16 17.566 -7.662 17.367 147 H TYR 17 HN TYR 17 11.107 -3.560 20.559 148 HA TYR 17 HA TYR 17 8.910 -5.472 20.373 149 HB2 TYR 17 HB2 TYR 17 9.040 -2.801 20.961 150 HB3 TYR 17 HB3 TYR 17 9.000 -2.656 19.216 151 HD1 TYR 17 HD1 TYR 17 7.106 -3.788 22.185 152 HD2 TYR 17 HD2 TYR 17 6.978 -3.076 17.968 153 HE1 TYR 17 HE1 TYR 17 4.572 -3.992 22.220 154 HE2 TYR 17 HE2 TYR 17 4.444 -3.282 18.017 155 HH TYR 17 HH TYR 17 2.742 -3.860 21.084 156 H ARG 18 HN ARG 18 7.810 -5.791 18.271 157 HA ARG 18 HA ARG 18 9.405 -5.130 15.980 158 HB2 ARG 18 HB2 ARG 18 8.780 -8.007 16.803 159 HB3 ARG 18 HB3 ARG 18 9.272 -7.574 15.178 160 HG2 ARG 18 HG2 ARG 18 11.430 -6.793 15.922 161 HG3 ARG 18 HG3 ARG 18 10.931 -6.775 17.602 162 HD2 ARG 18 HD2 ARG 18 10.586 -9.329 17.393 163 HD3 ARG 18 HD3 ARG 18 11.399 -9.225 15.845 164 HE ARG 18 HE ARG 18 12.878 -7.953 18.040 165 HH11 ARG 18 HH22 ARG 18 12.327 -10.973 16.271 166 HH12 ARG 18 HH21 ARG 18 13.845 -11.667 16.735 167 HH22 ARG 18 HH1 ARG 18 15.331 -10.411 18.135 168 H ARG 19 HN ARG 19 8.181 -5.768 13.890 169 HA ARG 19 HA ARG 19 5.595 -6.666 13.970 170 HB2 ARG 19 HB2 ARG 19 5.481 -4.271 15.162 171 HB3 ARG 19 HB3 ARG 19 5.527 -3.671 13.517 172 HG2 ARG 19 HG2 ARG 19 3.590 -5.897 14.123 173 HG3 ARG 19 HG3 ARG 19 3.209 -4.306 14.752 174 HD2 ARG 19 HD2 ARG 19 4.075 -3.970 12.020 175 HD3 ARG 19 HD3 ARG 19 2.912 -5.281 12.046 176 HE ARG 19 HE ARG 19 1.224 -3.777 12.774 177 HH11 ARG 19 HH22 ARG 19 4.380 -2.167 12.698 178 HH12 ARG 19 HH21 ARG 19 3.711 -0.578 12.861 179 HH22 ARG 19 HH1 ARG 19 1.335 -0.315 13.031 180 H CYS 20 HN CYS 20 4.544 -6.486 11.783 181 HA CYS 20 HA CYS 20 6.159 -5.253 9.734 182 HB2 CYS 20 HB2 CYS 20 5.703 -8.240 9.834 183 HB3 CYS 20 HB3 CYS 20 6.179 -7.376 8.385 184 H TRP 21 HN TRP 21 4.928 -5.356 7.583 185 HA TRP 21 HA TRP 21 2.045 -5.630 8.107 186 HB2 TRP 21 HB2 TRP 21 2.368 -3.336 7.945 187 HB3 TRP 21 HB3 TRP 21 3.595 -3.481 6.702 188 HD1 TRP 21 HD1 TRP 21 -0.057 -2.812 7.074 189 HE1 TRP 21 HE1 TRP 21 -1.333 -2.724 4.766 190 HE3 TRP 21 HE3 TRP 21 3.716 -4.815 4.314 191 HZ2 TRP 21 HZ2 TRP 21 -0.637 -3.485 2.105 192 HZ3 TRP 21 HZ3 TRP 21 3.336 -5.108 1.868 193 HH2 TRP 21 HH2 TRP 21 1.250 -4.481 0.760 194 H1 ARG 31 HN ARG 31 8.326 -1.349 3.568 195 HA ARG 31 HA ARG 31 9.472 1.257 3.905 196 HB2 ARG 31 HB2 ARG 31 6.832 1.299 4.160 197 HB3 ARG 31 HB3 ARG 31 7.133 0.519 5.700 198 HG2 ARG 31 HG2 ARG 31 7.236 2.726 6.400 199 HG3 ARG 31 HG3 ARG 31 8.921 2.505 5.974 200 HD2 ARG 31 HD2 ARG 31 8.375 4.512 4.854 201 HD3 ARG 31 HD3 ARG 31 8.214 3.319 3.581 202 HE ARG 31 HE ARG 31 5.688 3.535 4.885 203 HH11 ARG 31 HH22 ARG 31 7.816 5.500 2.844 204 HH12 ARG 31 HH21 ARG 31 6.516 6.420 2.162 205 HH22 ARG 31 HH1 ARG 31 4.266 5.961 2.847 206 H TRP 32 HN TRP 32 10.812 1.366 5.795 207 HA TRP 32 HA TRP 32 10.803 -1.032 7.483 208 HB2 TRP 32 HB2 TRP 32 13.005 0.016 5.788 209 HB3 TRP 32 HB3 TRP 32 13.432 -0.506 7.405 210 HD1 TRP 32 HD1 TRP 32 12.595 -1.904 3.998 211 HE1 TRP 32 HE1 TRP 32 12.659 -4.542 3.950 212 HE3 TRP 32 HE3 TRP 32 12.864 -2.512 9.039 213 HZ2 TRP 32 HZ2 TRP 32 12.811 -6.541 5.981 214 HZ3 TRP 32 HZ3 TRP 32 12.967 -4.840 9.925 215 HH2 TRP 32 HH2 TRP 32 12.944 -6.815 8.484 216 H CYS 33 HN CYS 33 9.853 0.042 9.243 217 HA CYS 33 HA CYS 33 10.911 2.623 9.985 218 HB2 CYS 33 HB2 CYS 33 8.542 0.986 10.713 219 HB3 CYS 33 HB3 CYS 33 9.177 2.043 11.959 220 H VAL 34 HN VAL 34 11.815 2.990 12.180 221 HA VAL 34 HA VAL 34 12.588 0.635 13.664 222 HB VAL 34 HB VAL 34 14.917 0.961 13.518 223 HG11 VAL 34 HG11 VAL 34 13.883 -0.252 11.619 224 HG12 VAL 34 HG12 VAL 34 13.832 1.271 10.699 225 HG13 VAL 34 HG13 VAL 34 15.398 0.566 11.166 226 HG21 VAL 34 HG21 VAL 34 14.231 3.565 12.154 227 HG22 VAL 34 HG22 VAL 34 15.260 3.277 13.578 228 HG23 VAL 34 HG23 VAL 34 15.831 2.810 11.959 229 H TYR 35 HN TYR 35 12.209 1.110 15.762 230 HA TYR 35 HA TYR 35 12.778 3.840 16.651 231 HB2 TYR 35 HB2 TYR 35 10.255 3.120 16.005 232 HB3 TYR 35 HB3 TYR 35 10.320 2.238 17.518 233 HD1 TYR 35 HD1 TYR 35 10.707 3.505 19.675 234 HD2 TYR 35 HD2 TYR 35 9.908 5.480 15.964 235 HE1 TYR 35 HE1 TYR 35 10.071 5.623 20.930 236 HE2 TYR 35 HE2 TYR 35 9.275 7.591 17.232 237 HH TYR 35 HH TYR 35 8.891 8.472 19.177 238 H ALA 36 HN ALA 36 14.261 3.641 18.251 239 HA ALA 36 HA ALA 36 13.829 1.471 20.179 240 HB1 ALA 36 HB1 ALA 36 16.408 1.419 20.287 241 HB2 ALA 36 HB2 ALA 36 15.635 0.668 18.871 242 HB3 ALA 36 HB3 ALA 36 16.366 2.285 18.733 243 H TYR 37 HN TYR 37 14.492 1.977 22.359 244 HA TYR 37 HA TYR 37 15.220 4.776 22.802 245 HB2 TYR 37 HB2 TYR 37 12.645 4.134 22.917 246 HB3 TYR 37 HB3 TYR 37 13.072 3.217 24.348 247 HD1 TYR 37 HD2 TYR 37 14.227 4.503 26.284 248 HD2 TYR 37 HD1 TYR 37 12.151 6.427 23.076 249 HE1 TYR 37 HE2 TYR 37 13.980 6.604 27.694 250 HE2 TYR 37 HE1 TYR 37 11.911 8.521 24.496 251 HH TYR 37 HH TYR 37 12.961 8.543 27.867 252 H VAL 38 HN VAL 38 17.347 3.773 23.239 253 HA VAL 38 HA VAL 38 17.376 2.198 25.706 254 HB VAL 38 HB VAL 38 19.470 2.672 23.576 255 HG11 VAL 38 HG11 VAL 38 19.555 1.177 26.197 256 HG12 VAL 38 HG12 VAL 38 20.598 0.710 24.833 257 HG13 VAL 38 HG13 VAL 38 20.721 2.344 25.528 258 HG21 VAL 38 HG21 VAL 38 18.161 1.156 22.510 259 HG22 VAL 38 HG22 VAL 38 19.019 0.005 23.562 260 HG23 VAL 38 HG23 VAL 38 17.400 0.588 24.015 261 H ARG 39 HN ARG 39 18.472 2.910 27.552 262 HA ARG 39 HA ARG 39 19.745 5.497 27.323 263 HB2 ARG 39 HB2 ARG 39 17.280 5.688 28.113 264 HB3 ARG 39 HB3 ARG 39 17.785 4.871 29.579 265 HG2 ARG 39 HG2 ARG 39 19.506 6.665 29.965 266 HG3 ARG 39 HG3 ARG 39 18.951 7.491 28.522 267 HD2 ARG 39 HD2 ARG 39 17.321 8.511 29.726 268 HD3 ARG 39 HD3 ARG 39 16.618 6.952 30.107 269 HE ARG 39 HE ARG 39 17.736 6.952 32.202 270 HH11 ARG 39 HH22 ARG 39 18.764 9.717 30.239 271 HH12 ARG 39 HH21 ARG 39 19.541 10.524 31.560 272 HH22 ARG 39 HH1 ARG 39 19.527 9.507 33.730 273 H ILE 40 HN ILE 40 21.572 5.694 28.675 274 HA ILE 40 HA ILE 40 21.879 3.849 30.875 275 HB ILE 40 HB ILE 40 23.400 3.629 28.319 276 HG12 ILE 40 HG12 ILE 40 21.738 1.952 30.009 277 HG13 ILE 40 HG13 ILE 40 22.235 1.727 28.343 278 HG21 ILE 40 HG21 ILE 40 25.272 2.539 29.480 279 HG22 ILE 40 HG22 ILE 40 25.131 4.261 29.906 280 HG23 ILE 40 HG23 ILE 40 24.572 3.014 31.046 281 HD11 ILE 40 HD11 ILE 40 24.398 0.790 29.063 282 HD12 ILE 40 HD12 ILE 40 23.989 1.109 30.766 283 HD13 ILE 40 HD13 ILE 40 23.065 -0.098 29.840 284 H ARG 41 HN ARG 41 23.810 4.426 32.214 285 HA ARG 41 HA ARG 41 24.900 5.912 33.345 286 HB2 ARG 41 HB2 ARG 41 25.487 6.949 30.535 287 HB3 ARG 41 HB3 ARG 41 26.240 7.656 31.951 288 HG2 ARG 41 HG2 ARG 41 26.349 4.655 31.497 289 HG3 ARG 41 HG3 ARG 41 27.481 5.713 30.679 290 HD2 ARG 41 HD2 ARG 41 27.073 5.595 33.708 291 HD3 ARG 41 HD3 ARG 41 28.394 4.835 32.844 292 HE ARG 41 HE ARG 41 28.278 7.629 32.154 293 HH11 ARG 41 HH22 ARG 41 29.208 5.490 34.821 294 HH12 ARG 41 HH21 ARG 41 30.367 6.600 35.472 295 HH22 ARG 41 HH1 ARG 41 30.703 8.713 34.392 296 H GLY 42 HN GLY 42 24.081 8.262 30.721 297 HA2 GLY 42 HA1 GLY 42 21.898 9.429 32.191 298 HA3 GLY 42 HA2 GLY 42 23.370 10.377 32.270 299 H VAL 43 HN VAL 43 22.683 8.313 29.453 300 HA VAL 43 HA VAL 43 21.867 10.693 27.951 301 HB VAL 43 HB VAL 43 23.701 8.724 26.675 302 HG11 VAL 43 HG11 VAL 43 24.409 11.391 26.097 303 HG12 VAL 43 HG12 VAL 43 23.511 10.255 25.062 304 HG13 VAL 43 HG13 VAL 43 22.630 11.358 26.145 305 HG21 VAL 43 HG21 VAL 43 24.889 9.082 28.735 306 HG22 VAL 43 HG22 VAL 43 25.678 10.049 27.467 307 HG23 VAL 43 HG23 VAL 43 24.611 10.838 28.653 308 H LEU 44 HN LEU 44 20.011 10.334 26.847 309 HA LEU 44 HA LEU 44 19.187 7.543 26.560 310 HB2 LEU 44 HB2 LEU 44 17.477 8.511 27.665 311 HB3 LEU 44 HB3 LEU 44 17.809 10.112 27.035 312 HG LEU 44 HG LEU 44 16.766 9.504 24.890 313 HD11 LEU 44 HD11 LEU 44 16.792 6.809 26.097 314 HD12 LEU 44 HD12 LEU 44 15.293 7.253 25.246 315 HD13 LEU 44 HD13 LEU 44 16.853 7.314 24.391 316 HD21 LEU 44 HD21 LEU 44 15.438 10.540 26.692 317 HD22 LEU 44 HD22 LEU 44 14.462 9.479 25.647 318 HD23 LEU 44 HD23 LEU 44 14.968 8.919 27.259 319 H VAL 45 HN VAL 45 19.542 6.602 24.629 320 HA VAL 45 HA VAL 45 19.813 8.365 22.313 321 HB VAL 45 HB VAL 45 20.448 5.427 22.421 322 HG11 VAL 45 HG11 VAL 45 20.732 6.033 20.239 323 HG12 VAL 45 HG12 VAL 45 21.059 7.738 20.636 324 HG13 VAL 45 HG13 VAL 45 22.332 6.513 20.854 325 HG21 VAL 45 HG21 VAL 45 22.879 6.500 22.845 326 HG22 VAL 45 HG22 VAL 45 21.888 7.668 23.752 327 HG23 VAL 45 HG23 VAL 45 21.822 5.937 24.162 328 H ARG 46 HN ARG 46 17.872 8.765 21.356 329 HA ARG 46 HA ARG 46 16.076 6.487 21.155 330 HB2 ARG 46 HB2 ARG 46 15.401 9.449 20.795 331 HB3 ARG 46 HB3 ARG 46 14.253 8.129 20.889 332 HG2 ARG 46 HG2 ARG 46 14.787 7.701 23.215 333 HG3 ARG 46 HG3 ARG 46 16.200 8.736 23.153 334 HD2 ARG 46 HD2 ARG 46 13.836 10.239 22.322 335 HD3 ARG 46 HD3 ARG 46 13.544 9.481 23.875 336 HE ARG 46 HE ARG 46 16.148 10.853 23.620 337 HH11 ARG 46 HH22 ARG 46 12.777 11.091 24.686 338 HH12 ARG 46 HH21 ARG 46 13.077 12.425 25.749 339 HH22 ARG 46 HH1 ARG 46 15.299 13.304 25.931 340 H TYR 47 HN TYR 47 16.105 5.515 19.153 341 HA TYR 47 HA TYR 47 16.933 7.146 16.868 342 HB2 TYR 47 HB2 TYR 47 18.101 4.974 17.448 343 HB3 TYR 47 HB3 TYR 47 16.564 4.134 17.414 344 HD1 TYR 47 HD1 TYR 47 17.355 6.712 14.905 345 HD2 TYR 47 HD2 TYR 47 17.335 2.520 15.759 346 HE1 TYR 47 HE1 TYR 47 17.685 6.200 12.437 347 HE2 TYR 47 HE2 TYR 47 17.665 2.022 13.288 348 HH TYR 47 HH TYR 47 18.388 2.979 11.343 349 H ARG 48 HN ARG 48 15.599 7.548 15.128 350 HA ARG 48 HA ARG 48 13.168 6.041 14.935 351 HB2 ARG 48 HB2 ARG 48 12.198 7.732 16.262 352 HB3 ARG 48 HB3 ARG 48 13.287 8.970 15.670 353 HG2 ARG 48 HG2 ARG 48 11.596 7.808 13.534 354 HG3 ARG 48 HG3 ARG 48 10.660 8.562 14.808 355 HD2 ARG 48 HD2 ARG 48 12.959 9.902 13.301 356 HD3 ARG 48 HD3 ARG 48 11.257 10.178 12.986 357 HE ARG 48 HE ARG 48 11.464 10.705 15.690 358 HH11 ARG 48 HH22 ARG 48 13.228 11.887 12.853 359 HH12 ARG 48 HH21 ARG 48 13.581 13.428 13.561 360 HH22 ARG 48 HH1 ARG 48 12.809 13.906 15.779 361 H ARG 49 HN ARG 49 12.893 5.571 12.772 362 HA ARG 49 HA ARG 49 13.115 7.511 10.806 363 HB2 ARG 49 HB2 ARG 49 15.596 7.118 11.310 364 HB3 ARG 49 HB3 ARG 49 15.391 5.468 10.757 365 HG2 ARG 49 HG2 ARG 49 14.587 7.821 9.003 366 HG3 ARG 49 HG3 ARG 49 16.243 7.248 9.043 367 HD2 ARG 49 HD2 ARG 49 14.535 4.940 8.757 368 HD3 ARG 49 HD3 ARG 49 14.000 6.138 7.596 369 HE ARG 49 HE ARG 49 16.611 4.770 7.634 370 HH11 ARG 49 HH22 ARG 49 14.723 7.462 6.313 371 HH12 ARG 49 HH21 ARG 49 15.756 7.675 4.939 372 HH22 ARG 49 HH1 ARG 49 17.661 6.246 4.670 373 H CYS 50 HN CYS 50 12.444 6.644 8.693 374 HA CYS 50 HA CYS 50 11.839 3.796 8.690 375 HB2 CYS 50 HB2 CYS 50 9.783 5.911 8.018 376 HB3 CYS 50 HB3 CYS 50 9.571 4.175 7.896 377 H TRP 51 HN TRP 51 12.093 2.894 6.611 378 HA TRP 51 HA TRP 51 12.907 4.813 4.540 379 HB2 TRP 51 HB2 TRP 51 14.771 3.520 4.973 380 HB3 TRP 51 HB3 TRP 51 13.841 2.065 5.270 381 HD1 TRP 51 HD1 TRP 51 15.786 3.744 2.553 382 HE1 TRP 51 HE1 TRP 51 15.616 2.488 0.239 383 HE3 TRP 51 HE3 TRP 51 11.927 0.712 3.885 384 HZ2 TRP 51 HZ2 TRP 51 13.925 0.414 -0.753 385 HZ3 TRP 51 HZ3 TRP 51 11.076 -0.899 2.184 386 HH2 TRP 51 HH2 TRP 51 12.011 -1.077 -0.067 Start of MODEL 11 1 H1 ARG 1 HN ARG 1 10.147 -6.926 1.594 2 HA ARG 1 HA ARG 1 7.296 -6.668 1.720 3 HB2 ARG 1 HB2 ARG 1 6.902 -8.121 3.519 4 HB3 ARG 1 HB3 ARG 1 8.138 -9.015 2.657 5 HG2 ARG 1 HG2 ARG 1 8.525 -7.235 5.103 6 HG3 ARG 1 HG3 ARG 1 8.750 -8.971 5.012 7 HD2 ARG 1 HD2 ARG 1 10.471 -8.170 3.027 8 HD3 ARG 1 HD3 ARG 1 10.555 -6.772 4.080 9 HE ARG 1 HE ARG 1 11.750 -8.056 5.618 10 HH11 ARG 1 HH22 ARG 1 9.959 -10.251 3.490 11 HH12 ARG 1 HH21 ARG 1 10.666 -11.681 4.165 12 HH22 ARG 1 HH1 ARG 1 12.265 -11.476 5.938 13 H TRP 2 HN TRP 2 6.850 -5.819 4.248 14 HA TRP 2 HA TRP 2 9.032 -3.983 4.924 15 HB2 TRP 2 HB2 TRP 2 6.241 -2.953 5.041 16 HB3 TRP 2 HB3 TRP 2 7.756 -2.093 4.842 17 HD1 TRP 2 HD1 TRP 2 4.921 -3.546 2.815 18 HE1 TRP 2 HE1 TRP 2 5.255 -3.193 0.221 19 HE3 TRP 2 HE3 TRP 2 9.766 -2.029 3.112 20 HZ2 TRP 2 HZ2 TRP 2 7.458 -2.339 -1.380 21 HZ3 TRP 2 HZ3 TRP 2 10.935 -1.455 0.987 22 HH2 TRP 2 HH2 TRP 2 9.860 -1.590 -1.204 23 H CYS 3 HN CYS 3 9.203 -3.603 7.178 24 HA CYS 3 HA CYS 3 7.126 -4.686 8.871 25 HB2 CYS 3 HB2 CYS 3 9.940 -5.774 8.826 26 HB3 CYS 3 HB3 CYS 3 8.896 -5.919 10.226 27 H VAL 4 HN VAL 4 8.298 -4.397 11.337 28 HA VAL 4 HA VAL 4 9.745 -1.872 11.326 29 HB VAL 4 HB VAL 4 8.186 -0.646 12.423 30 HG11 VAL 4 HG11 VAL 4 7.197 -1.107 10.276 31 HG12 VAL 4 HG12 VAL 4 6.511 -2.640 10.865 32 HG13 VAL 4 HG13 VAL 4 5.902 -1.092 11.497 33 HG21 VAL 4 HG21 VAL 4 6.209 -1.788 13.666 34 HG22 VAL 4 HG22 VAL 4 7.204 -3.260 13.559 35 HG23 VAL 4 HG23 VAL 4 7.828 -1.824 14.405 36 H TYR 5 HN TYR 5 11.346 -1.889 12.841 37 HA TYR 5 HA TYR 5 11.136 -3.963 14.921 38 HB2 TYR 5 HB2 TYR 5 13.327 -2.943 13.052 39 HB3 TYR 5 HB3 TYR 5 13.808 -3.590 14.608 40 HD1 TYR 5 HD2 TYR 5 12.243 -5.921 15.079 41 HD2 TYR 5 HD1 TYR 5 13.726 -4.452 11.345 42 HE1 TYR 5 HE2 TYR 5 12.170 -8.273 14.117 43 HE2 TYR 5 HE1 TYR 5 13.649 -6.809 10.395 44 HH TYR 5 HH TYR 5 11.941 -9.097 11.395 45 H ALA 6 HN ALA 6 11.173 -3.214 16.981 46 HA ALA 6 HA ALA 6 12.406 -0.580 17.405 47 HB1 ALA 6 HB1 ALA 6 10.404 -0.953 19.357 48 HB2 ALA 6 HB2 ALA 6 10.365 0.170 17.976 49 HB3 ALA 6 HB3 ALA 6 9.665 -1.459 17.819 50 H TYR 7 HN TYR 7 13.557 -0.324 19.383 51 HA TYR 7 HA TYR 7 13.756 -2.699 21.068 52 HB2 TYR 7 HB2 TYR 7 15.530 -2.742 19.234 53 HB3 TYR 7 HB3 TYR 7 16.036 -1.132 19.706 54 HD1 TYR 7 HD1 TYR 7 16.800 -0.868 22.224 55 HD2 TYR 7 HD2 TYR 7 16.638 -4.592 20.124 56 HE1 TYR 7 HE1 TYR 7 18.452 -1.878 23.872 57 HE2 TYR 7 HE2 TYR 7 18.291 -5.589 21.779 58 HH TYR 7 HH TYR 7 20.040 -4.789 23.276 59 H VAL 8 HN VAL 8 13.203 -1.921 23.047 60 HA VAL 8 HA VAL 8 14.270 0.723 23.759 61 HB VAL 8 HB VAL 8 11.913 -0.672 25.018 62 HG11 VAL 8 HG11 VAL 8 11.806 2.211 24.951 63 HG12 VAL 8 HG12 VAL 8 11.829 1.114 26.352 64 HG13 VAL 8 HG13 VAL 8 13.359 1.677 25.638 65 HG21 VAL 8 HG21 VAL 8 11.546 -0.396 22.558 66 HG22 VAL 8 HG22 VAL 8 10.419 0.543 23.565 67 HG23 VAL 8 HG23 VAL 8 11.784 1.356 22.762 68 H ARG 9 HN ARG 9 15.685 0.859 25.447 69 HA ARG 9 HA ARG 9 15.731 -1.335 27.309 70 HB2 ARG 9 HB2 ARG 9 17.445 -2.214 25.967 71 HB3 ARG 9 HB3 ARG 9 17.950 -0.638 25.389 72 HG2 ARG 9 HG2 ARG 9 19.041 -0.120 27.509 73 HG3 ARG 9 HG3 ARG 9 18.348 -1.534 28.278 74 HD2 ARG 9 HD2 ARG 9 20.081 -2.821 27.572 75 HD3 ARG 9 HD3 ARG 9 19.760 -2.400 25.902 76 HE ARG 9 HE ARG 9 21.036 -0.148 26.791 77 HH11 ARG 9 HH22 ARG 9 21.858 -3.582 27.084 78 HH12 ARG 9 HH21 ARG 9 23.566 -3.297 27.124 79 HH22 ARG 9 HH1 ARG 9 24.385 -1.049 26.981 80 H ILE 10 HN ILE 10 15.677 -0.372 29.315 81 HA ILE 10 HA ILE 10 17.443 1.855 29.828 82 HB ILE 10 HB ILE 10 14.579 2.277 30.557 83 HG12 ILE 10 HG12 ILE 10 15.752 3.009 27.858 84 HG13 ILE 10 HG13 ILE 10 14.563 1.752 28.135 85 HG21 ILE 10 HG21 ILE 10 16.056 4.595 29.705 86 HG22 ILE 10 HG22 ILE 10 15.356 4.217 31.297 87 HG23 ILE 10 HG23 ILE 10 17.003 3.673 30.897 88 HD11 ILE 10 HD11 ILE 10 13.083 3.557 29.225 89 HD12 ILE 10 HD12 ILE 10 14.232 4.747 28.568 90 HD13 ILE 10 HD13 ILE 10 13.318 3.690 27.465 91 H ARG 11 HN ARG 11 17.728 2.230 32.145 92 HA ARG 11 HA ARG 11 18.037 1.547 34.171 93 HB2 ARG 11 HB2 ARG 11 15.233 0.598 33.639 94 HB3 ARG 11 HB3 ARG 11 16.009 -0.049 35.071 95 HG2 ARG 11 HG2 ARG 11 15.488 1.872 36.155 96 HG3 ARG 11 HG3 ARG 11 16.626 2.714 35.122 97 HD2 ARG 11 HD2 ARG 11 14.961 3.523 33.695 98 HD3 ARG 11 HD3 ARG 11 13.905 2.151 33.964 99 HE ARG 11 HE ARG 11 14.169 3.590 36.428 100 HH11 ARG 11 HH22 ARG 11 12.693 3.949 33.226 101 HH12 ARG 11 HH21 ARG 11 11.433 4.996 33.788 102 HH22 ARG 11 HH1 ARG 11 11.343 5.584 36.110 103 H GLY 12 HN GLY 12 16.143 -1.398 33.260 104 HA2 GLY 12 HA1 GLY 12 18.515 -2.980 32.807 105 HA3 GLY 12 HA2 GLY 12 17.733 -3.298 34.343 106 H VAL 13 HN VAL 13 15.822 -2.175 31.566 107 HA VAL 13 HA VAL 13 14.809 -4.916 31.254 108 HB VAL 13 HB VAL 13 13.250 -2.324 31.198 109 HG11 VAL 13 HG11 VAL 13 12.459 -5.206 30.727 110 HG12 VAL 13 HG12 VAL 13 11.280 -3.964 31.210 111 HG13 VAL 13 HG13 VAL 13 12.182 -3.790 29.685 112 HG21 VAL 13 HG21 VAL 13 13.862 -4.264 33.349 113 HG22 VAL 13 HG22 VAL 13 13.390 -2.550 33.443 114 HG23 VAL 13 HG23 VAL 13 12.149 -3.803 33.201 115 H LEU 14 HN LEU 14 13.967 -5.417 29.088 116 HA LEU 14 HA LEU 14 14.819 -3.541 27.024 117 HB2 LEU 14 HB2 LEU 14 16.735 -4.957 27.332 118 HB3 LEU 14 HB3 LEU 14 15.747 -6.403 27.263 119 HG LEU 14 HG LEU 14 15.505 -6.318 24.970 120 HD11 LEU 14 HD11 LEU 14 14.527 -4.183 24.663 121 HD12 LEU 14 HD12 LEU 14 16.018 -3.344 25.154 122 HD13 LEU 14 HD13 LEU 14 15.963 -4.233 23.613 123 HD21 LEU 14 HD21 LEU 14 18.193 -5.029 25.513 124 HD22 LEU 14 HD22 LEU 14 17.821 -6.770 25.473 125 HD23 LEU 14 HD23 LEU 14 17.719 -5.803 23.981 126 H VAL 15 HN VAL 15 12.976 -3.120 25.936 127 HA VAL 15 HA VAL 15 11.151 -5.387 25.524 128 HB VAL 15 HB VAL 15 10.302 -2.528 25.311 129 HG11 VAL 15 HG11 VAL 15 8.243 -3.405 25.249 130 HG12 VAL 15 HG12 VAL 15 9.027 -4.993 25.063 131 HG13 VAL 15 HG13 VAL 15 8.549 -4.420 26.679 132 HG21 VAL 15 HG21 VAL 15 11.031 -2.133 27.411 133 HG22 VAL 15 HG22 VAL 15 9.622 -3.109 27.891 134 HG23 VAL 15 HG23 VAL 15 11.230 -3.863 27.780 135 H ARG 16 HN ARG 16 11.997 -6.193 23.590 136 HA ARG 16 HA ARG 16 12.498 -4.295 21.497 137 HB2 ARG 16 HB2 ARG 16 12.902 -7.296 21.806 138 HB3 ARG 16 HB3 ARG 16 13.053 -6.540 20.232 139 HG2 ARG 16 HG2 ARG 16 14.658 -4.845 21.490 140 HG3 ARG 16 HG3 ARG 16 14.748 -6.102 22.707 141 HD2 ARG 16 HD2 ARG 16 16.590 -6.385 21.099 142 HD3 ARG 16 HD3 ARG 16 15.489 -7.741 20.967 143 HE ARG 16 HE ARG 16 14.749 -5.615 19.134 144 HH11 ARG 16 HH22 ARG 16 17.021 -8.301 19.558 145 HH12 ARG 16 HH21 ARG 16 17.273 -8.519 17.858 146 HH22 ARG 16 HH1 ARG 16 16.122 -7.098 16.309 147 H TYR 17 HN TYR 17 10.612 -3.545 20.526 148 HA TYR 17 HA TYR 17 8.403 -5.391 20.153 149 HB2 TYR 17 HB2 TYR 17 8.613 -2.755 20.849 150 HB3 TYR 17 HB3 TYR 17 8.613 -2.536 19.110 151 HD1 TYR 17 HD1 TYR 17 6.638 -4.104 21.872 152 HD2 TYR 17 HD2 TYR 17 6.586 -2.447 17.928 153 HE1 TYR 17 HE1 TYR 17 4.098 -4.215 21.851 154 HE2 TYR 17 HE2 TYR 17 4.046 -2.563 17.921 155 HH TYR 17 HH TYR 17 2.241 -2.558 19.652 156 H ARG 18 HN ARG 18 7.286 -5.493 18.006 157 HA ARG 18 HA ARG 18 8.952 -4.841 15.772 158 HB2 ARG 18 HB2 ARG 18 8.501 -7.333 14.927 159 HB3 ARG 18 HB3 ARG 18 9.885 -6.982 15.943 160 HG2 ARG 18 HG2 ARG 18 8.412 -7.551 17.969 161 HG3 ARG 18 HG3 ARG 18 7.198 -8.116 16.838 162 HD2 ARG 18 HD2 ARG 18 9.960 -9.191 16.403 163 HD3 ARG 18 HD3 ARG 18 9.169 -9.717 17.876 164 HE ARG 18 HE ARG 18 7.382 -9.916 15.593 165 HH11 ARG 18 HH22 ARG 18 10.065 -11.556 17.227 166 HH12 ARG 18 HH21 ARG 18 9.643 -13.121 16.616 167 HH22 ARG 18 HH1 ARG 18 7.735 -13.346 15.183 168 H ARG 19 HN ARG 19 7.672 -5.852 13.656 169 HA ARG 19 HA ARG 19 4.977 -6.310 13.875 170 HB2 ARG 19 HB2 ARG 19 5.267 -3.739 14.580 171 HB3 ARG 19 HB3 ARG 19 5.362 -3.485 12.849 172 HG2 ARG 19 HG2 ARG 19 3.124 -5.225 13.866 173 HG3 ARG 19 HG3 ARG 19 3.006 -3.505 14.177 174 HD2 ARG 19 HD2 ARG 19 3.837 -3.779 11.445 175 HD3 ARG 19 HD3 ARG 19 2.541 -4.933 11.688 176 HE ARG 19 HE ARG 19 1.033 -3.158 11.937 177 HH11 ARG 19 HH22 ARG 19 4.330 -1.918 12.322 178 HH12 ARG 19 HH21 ARG 19 3.834 -0.258 12.360 179 HH22 ARG 19 HH1 ARG 19 1.506 0.276 12.160 180 H CYS 20 HN CYS 20 3.916 -6.336 11.668 181 HA CYS 20 HA CYS 20 5.719 -5.850 9.460 182 HB2 CYS 20 HB2 CYS 20 4.753 -8.586 10.250 183 HB3 CYS 20 HB3 CYS 20 5.057 -8.198 8.568 184 H TRP 21 HN TRP 21 4.496 -5.838 7.379 185 HA TRP 21 HA TRP 21 1.667 -5.263 7.877 186 HB2 TRP 21 HB2 TRP 21 2.652 -3.370 6.968 187 HB3 TRP 21 HB3 TRP 21 3.677 -4.285 5.881 188 HD1 TRP 21 HD1 TRP 21 0.200 -2.735 6.070 189 HE1 TRP 21 HE1 TRP 21 -1.072 -2.888 3.764 190 HE3 TRP 21 HE3 TRP 21 3.537 -5.855 3.838 191 HZ2 TRP 21 HZ2 TRP 21 -0.552 -4.266 1.319 192 HZ3 TRP 21 HZ3 TRP 21 3.080 -6.557 1.490 193 HH2 TRP 21 HH2 TRP 21 1.118 -5.813 0.236 194 H1 ARG 31 HN ARG 31 5.765 -0.445 6.802 195 HA ARG 31 HA ARG 31 7.444 -0.146 4.455 196 HB2 ARG 31 HB2 ARG 31 7.571 1.957 6.623 197 HB3 ARG 31 HB3 ARG 31 7.984 2.102 4.926 198 HG2 ARG 31 HG2 ARG 31 5.149 1.815 6.032 199 HG3 ARG 31 HG3 ARG 31 5.871 3.313 5.480 200 HD2 ARG 31 HD2 ARG 31 4.844 2.738 3.495 201 HD3 ARG 31 HD3 ARG 31 6.312 1.810 3.257 202 HE ARG 31 HE ARG 31 5.126 -0.195 3.718 203 HH11 ARG 31 HH22 ARG 31 3.066 2.630 4.294 204 HH12 ARG 31 HH21 ARG 31 1.608 1.701 4.396 205 HH22 ARG 31 HH1 ARG 31 1.712 -0.679 4.133 206 H TRP 32 HN TRP 32 9.602 1.157 6.007 207 HA TRP 32 HA TRP 32 10.317 -1.102 7.751 208 HB2 TRP 32 HB2 TRP 32 11.821 0.386 5.666 209 HB3 TRP 32 HB3 TRP 32 12.703 -0.050 7.116 210 HD1 TRP 32 HD1 TRP 32 11.866 -1.471 3.833 211 HE1 TRP 32 HE1 TRP 32 12.261 -4.075 3.660 212 HE3 TRP 32 HE3 TRP 32 12.280 -2.271 8.837 213 HZ2 TRP 32 HZ2 TRP 32 12.692 -6.130 5.592 214 HZ3 TRP 32 HZ3 TRP 32 12.688 -4.605 9.610 215 HH2 TRP 32 HH2 TRP 32 12.893 -6.499 8.078 216 H CYS 33 HN CYS 33 9.266 -0.023 9.570 217 HA CYS 33 HA CYS 33 10.280 2.592 10.259 218 HB2 CYS 33 HB2 CYS 33 8.035 0.864 11.143 219 HB3 CYS 33 HB3 CYS 33 8.729 1.920 12.356 220 H VAL 34 HN VAL 34 11.383 2.975 12.342 221 HA VAL 34 HA VAL 34 12.328 0.642 13.760 222 HB VAL 34 HB VAL 34 14.608 0.946 13.373 223 HG11 VAL 34 HG11 VAL 34 13.445 -0.153 11.502 224 HG12 VAL 34 HG12 VAL 34 13.258 1.422 10.693 225 HG13 VAL 34 HG13 VAL 34 14.882 0.739 10.949 226 HG21 VAL 34 HG21 VAL 34 13.897 3.596 12.079 227 HG22 VAL 34 HG22 VAL 34 14.828 3.325 13.572 228 HG23 VAL 34 HG23 VAL 34 15.512 2.853 11.998 229 H TYR 35 HN TYR 35 12.024 1.137 15.863 230 HA TYR 35 HA TYR 35 12.705 3.849 16.720 231 HB2 TYR 35 HB2 TYR 35 10.143 3.268 16.197 232 HB3 TYR 35 HB3 TYR 35 10.233 2.292 17.650 233 HD1 TYR 35 HD1 TYR 35 10.490 3.344 19.863 234 HD2 TYR 35 HD2 TYR 35 10.150 5.702 16.310 235 HE1 TYR 35 HE1 TYR 35 9.988 5.403 21.269 236 HE2 TYR 35 HE2 TYR 35 9.649 7.752 17.727 237 HH TYR 35 HH TYR 35 10.211 8.463 20.125 238 H ALA 36 HN ALA 36 14.299 3.562 18.199 239 HA ALA 36 HA ALA 36 13.866 1.453 20.193 240 HB1 ALA 36 HB1 ALA 36 15.516 0.537 18.730 241 HB2 ALA 36 HB2 ALA 36 16.373 2.092 18.603 242 HB3 ALA 36 HB3 ALA 36 16.409 1.178 20.130 243 H TYR 37 HN TYR 37 14.502 1.999 22.320 244 HA TYR 37 HA TYR 37 15.483 4.748 22.647 245 HB2 TYR 37 HB2 TYR 37 12.913 4.250 22.981 246 HB3 TYR 37 HB3 TYR 37 13.393 3.271 24.353 247 HD1 TYR 37 HD2 TYR 37 14.721 4.425 26.245 248 HD2 TYR 37 HD1 TYR 37 12.598 6.574 23.215 249 HE1 TYR 37 HE2 TYR 37 14.696 6.495 27.720 250 HE2 TYR 37 HE1 TYR 37 12.581 8.637 24.701 251 HH TYR 37 HH TYR 37 13.714 8.480 28.016 252 H VAL 38 HN VAL 38 17.611 3.793 22.986 253 HA VAL 38 HA VAL 38 17.807 2.112 25.366 254 HB VAL 38 HB VAL 38 19.816 2.841 23.226 255 HG11 VAL 38 HG11 VAL 38 20.014 1.059 25.664 256 HG12 VAL 38 HG12 VAL 38 21.096 0.887 24.261 257 HG13 VAL 38 HG13 VAL 38 21.071 2.408 25.185 258 HG21 VAL 38 HG21 VAL 38 17.784 1.312 22.681 259 HG22 VAL 38 HG22 VAL 38 19.417 0.775 22.220 260 HG23 VAL 38 HG23 VAL 38 18.636 0.103 23.672 261 H ARG 39 HN ARG 39 18.946 2.751 27.216 262 HA ARG 39 HA ARG 39 20.228 5.313 27.140 263 HB2 ARG 39 HB2 ARG 39 17.792 5.770 27.698 264 HB3 ARG 39 HB3 ARG 39 17.960 4.755 29.117 265 HG2 ARG 39 HG2 ARG 39 19.980 6.318 29.734 266 HG3 ARG 39 HG3 ARG 39 19.311 7.416 28.543 267 HD2 ARG 39 HD2 ARG 39 17.154 6.475 30.241 268 HD3 ARG 39 HD3 ARG 39 18.463 7.037 31.262 269 HE ARG 39 HE ARG 39 16.880 8.670 29.372 270 HH11 ARG 39 HH22 ARG 39 19.713 8.508 31.494 271 HH12 ARG 39 HH21 ARG 39 19.885 10.228 31.603 272 HH22 ARG 39 HH1 ARG 39 18.341 11.638 30.431 273 H ILE 40 HN ILE 40 22.114 5.121 28.321 274 HA ILE 40 HA ILE 40 22.080 3.354 30.644 275 HB ILE 40 HB ILE 40 24.212 3.234 28.511 276 HG12 ILE 40 HG12 ILE 40 23.001 0.758 28.582 277 HG13 ILE 40 HG13 ILE 40 21.632 1.841 28.740 278 HG21 ILE 40 HG21 ILE 40 24.764 1.100 29.831 279 HG22 ILE 40 HG22 ILE 40 25.223 2.666 30.540 280 HG23 ILE 40 HG23 ILE 40 23.779 1.810 31.132 281 HD11 ILE 40 HD11 ILE 40 22.285 1.280 26.344 282 HD12 ILE 40 HD12 ILE 40 22.209 3.021 26.704 283 HD13 ILE 40 HD13 ILE 40 23.785 2.200 26.611 284 H ARG 41 HN ARG 41 23.961 3.779 32.110 285 HA ARG 41 HA ARG 41 25.068 5.175 33.335 286 HB2 ARG 41 HB2 ARG 41 25.917 6.161 30.578 287 HB3 ARG 41 HB3 ARG 41 26.598 6.855 32.035 288 HG2 ARG 41 HG2 ARG 41 26.730 3.929 31.176 289 HG3 ARG 41 HG3 ARG 41 28.066 5.060 31.247 290 HD2 ARG 41 HD2 ARG 41 26.576 3.746 33.533 291 HD3 ARG 41 HD3 ARG 41 28.305 3.840 33.262 292 HE ARG 41 HE ARG 41 26.619 5.878 34.532 293 HH11 ARG 41 HH22 ARG 41 29.702 5.280 32.892 294 HH12 ARG 41 HH21 ARG 41 30.479 6.668 33.577 295 HH22 ARG 41 HH1 ARG 41 29.249 8.082 35.071 296 H GLY 42 HN GLY 42 24.654 7.636 30.729 297 HA2 GLY 42 HA1 GLY 42 22.454 8.936 32.083 298 HA3 GLY 42 HA2 GLY 42 23.986 9.775 32.224 299 H VAL 43 HN VAL 43 23.347 7.765 29.372 300 HA VAL 43 HA VAL 43 22.817 10.212 27.837 301 HB VAL 43 HB VAL 43 24.382 7.986 26.627 302 HG11 VAL 43 HG11 VAL 43 25.495 10.487 26.019 303 HG12 VAL 43 HG12 VAL 43 24.409 9.515 24.998 304 HG13 VAL 43 HG13 VAL 43 23.738 10.764 26.073 305 HG21 VAL 43 HG21 VAL 43 26.499 9.177 27.460 306 HG22 VAL 43 HG22 VAL 43 25.457 9.892 28.713 307 HG23 VAL 43 HG23 VAL 43 25.644 8.125 28.613 308 H LEU 44 HN LEU 44 20.945 10.107 26.707 309 HA LEU 44 HA LEU 44 19.752 7.453 26.407 310 HB2 LEU 44 HB2 LEU 44 18.186 8.668 27.498 311 HB3 LEU 44 HB3 LEU 44 18.723 10.196 26.830 312 HG LEU 44 HG LEU 44 17.631 9.646 24.683 313 HD11 LEU 44 HD11 LEU 44 17.175 7.534 24.181 314 HD12 LEU 44 HD12 LEU 44 17.482 7.015 25.856 315 HD13 LEU 44 HD13 LEU 44 15.861 7.578 25.381 316 HD21 LEU 44 HD21 LEU 44 15.721 9.407 27.021 317 HD22 LEU 44 HD22 LEU 44 16.469 10.925 26.472 318 HD23 LEU 44 HD23 LEU 44 15.368 10.035 25.394 319 H VAL 45 HN VAL 45 19.961 6.468 24.478 320 HA VAL 45 HA VAL 45 20.430 8.197 22.156 321 HB VAL 45 HB VAL 45 20.930 5.241 22.244 322 HG11 VAL 45 HG11 VAL 45 22.888 6.123 20.749 323 HG12 VAL 45 HG12 VAL 45 21.240 6.026 20.082 324 HG13 VAL 45 HG13 VAL 45 21.889 7.591 20.629 325 HG21 VAL 45 HG21 VAL 45 23.360 5.977 22.860 326 HG22 VAL 45 HG22 VAL 45 22.558 7.400 23.566 327 HG23 VAL 45 HG23 VAL 45 22.151 5.769 24.149 328 H ARG 46 HN ARG 46 18.414 8.708 21.363 329 HA ARG 46 HA ARG 46 16.534 6.517 21.164 330 HB2 ARG 46 HB2 ARG 46 16.074 9.490 20.608 331 HB3 ARG 46 HB3 ARG 46 14.833 8.263 20.762 332 HG2 ARG 46 HG2 ARG 46 15.508 7.867 23.135 333 HG3 ARG 46 HG3 ARG 46 16.765 9.078 22.985 334 HD2 ARG 46 HD2 ARG 46 14.092 10.058 22.144 335 HD3 ARG 46 HD3 ARG 46 14.150 9.564 23.825 336 HE ARG 46 HE ARG 46 16.453 11.084 23.526 337 HH11 ARG 46 HH22 ARG 46 13.018 11.681 22.894 338 HH12 ARG 46 HH21 ARG 46 13.134 13.385 23.182 339 HH22 ARG 46 HH1 ARG 46 15.253 14.334 23.776 340 H TYR 47 HN TYR 47 15.492 6.015 19.102 341 HA TYR 47 HA TYR 47 16.689 7.288 16.757 342 HB2 TYR 47 HB2 TYR 47 17.941 5.166 17.381 343 HB3 TYR 47 HB3 TYR 47 16.425 4.289 17.424 344 HD1 TYR 47 HD2 TYR 47 17.027 6.805 14.810 345 HD2 TYR 47 HD1 TYR 47 17.223 2.646 15.797 346 HE1 TYR 47 HE2 TYR 47 17.289 6.225 12.348 347 HE2 TYR 47 HE1 TYR 47 17.484 2.081 13.332 348 HH TYR 47 HH TYR 47 18.464 4.039 11.130 349 H ARG 48 HN ARG 48 15.257 7.576 15.072 350 HA ARG 48 HA ARG 48 12.869 5.994 15.063 351 HB2 ARG 48 HB2 ARG 48 11.455 8.155 14.832 352 HB3 ARG 48 HB3 ARG 48 12.014 7.752 16.443 353 HG2 ARG 48 HG2 ARG 48 14.131 9.250 15.672 354 HG3 ARG 48 HG3 ARG 48 12.931 9.956 14.608 355 HD2 ARG 48 HD2 ARG 48 11.532 9.875 16.995 356 HD3 ARG 48 HD3 ARG 48 13.166 10.129 17.576 357 HE ARG 48 HE ARG 48 13.023 12.316 16.794 358 HH11 ARG 48 HH22 ARG 48 10.798 10.327 14.886 359 HH12 ARG 48 HH21 ARG 48 10.193 11.664 13.967 360 HH22 ARG 48 HH1 ARG 48 11.047 13.863 14.393 361 H ARG 49 HN ARG 49 12.274 5.579 12.931 362 HA ARG 49 HA ARG 49 12.528 7.466 10.917 363 HB2 ARG 49 HB2 ARG 49 15.009 6.576 11.400 364 HB3 ARG 49 HB3 ARG 49 14.485 5.200 10.450 365 HG2 ARG 49 HG2 ARG 49 13.943 7.962 9.360 366 HG3 ARG 49 HG3 ARG 49 15.588 7.363 9.300 367 HD2 ARG 49 HD2 ARG 49 15.102 5.794 7.684 368 HD3 ARG 49 HD3 ARG 49 13.555 5.384 8.398 369 HE ARG 49 HE ARG 49 12.512 7.126 7.154 370 HH11 ARG 49 HH22 ARG 49 16.023 7.157 6.678 371 HH12 ARG 49 HH21 ARG 49 15.953 8.222 5.314 372 HH22 ARG 49 HH1 ARG 49 13.824 9.017 4.553 373 H CYS 50 HN CYS 50 11.760 6.567 8.800 374 HA CYS 50 HA CYS 50 10.910 3.810 8.857 375 HB2 CYS 50 HB2 CYS 50 8.903 6.059 8.591 376 HB3 CYS 50 HB3 CYS 50 8.573 4.362 8.305 377 H TRP 51 HN TRP 51 10.741 2.985 6.715 378 HA TRP 51 HA TRP 51 11.248 4.964 4.598 379 HB2 TRP 51 HB2 TRP 51 12.599 2.372 5.212 380 HB3 TRP 51 HB3 TRP 51 12.396 2.833 3.534 381 HD1 TRP 51 HD1 TRP 51 13.315 5.640 3.162 382 HE1 TRP 51 HE1 TRP 51 15.626 6.687 3.888 383 HE3 TRP 51 HE3 TRP 51 14.371 2.162 6.718 384 HZ2 TRP 51 HZ2 TRP 51 17.592 5.960 5.823 385 HZ3 TRP 51 HZ3 TRP 51 16.508 2.404 7.980 386 HH2 TRP 51 HH2 TRP 51 18.092 4.222 7.581 Start of MODEL 12 1 H1 ARG 1 HN ARG 1 9.914 -6.791 1.459 2 HA ARG 1 HA ARG 1 7.116 -5.989 1.486 3 HB2 ARG 1 HB2 ARG 1 8.684 -8.032 3.056 4 HB3 ARG 1 HB3 ARG 1 7.385 -7.208 3.896 5 HG2 ARG 1 HG2 ARG 1 6.617 -8.124 1.183 6 HG3 ARG 1 HG3 ARG 1 7.090 -9.437 2.242 7 HD2 ARG 1 HD2 ARG 1 5.454 -7.740 3.841 8 HD3 ARG 1 HD3 ARG 1 4.647 -7.828 2.287 9 HE ARG 1 HE ARG 1 4.013 -9.987 2.874 10 HH11 ARG 1 HH22 ARG 1 7.141 -9.322 4.400 11 HH12 ARG 1 HH21 ARG 1 7.245 -10.879 5.152 12 HH22 ARG 1 HH1 ARG 1 5.476 -12.461 4.824 13 H TRP 2 HN TRP 2 6.534 -5.105 3.881 14 HA TRP 2 HA TRP 2 8.646 -3.170 4.543 15 HB2 TRP 2 HB2 TRP 2 5.778 -2.722 5.242 16 HB3 TRP 2 HB3 TRP 2 7.057 -1.561 4.947 17 HD1 TRP 2 HD1 TRP 2 4.005 -2.220 3.380 18 HE1 TRP 2 HE1 TRP 2 3.926 -1.952 0.756 19 HE3 TRP 2 HE3 TRP 2 9.036 -2.459 2.678 20 HZ2 TRP 2 HZ2 TRP 2 5.932 -1.871 -1.273 21 HZ3 TRP 2 HZ3 TRP 2 9.893 -2.277 0.345 22 HH2 TRP 2 HH2 TRP 2 8.430 -1.993 -1.593 23 H CYS 3 HN CYS 3 9.556 -3.404 6.546 24 HA CYS 3 HA CYS 3 7.998 -4.921 8.510 25 HB2 CYS 3 HB2 CYS 3 10.804 -5.278 7.597 26 HB3 CYS 3 HB3 CYS 3 10.507 -5.435 9.316 27 H VAL 4 HN VAL 4 8.938 -4.418 10.836 28 HA VAL 4 HA VAL 4 10.132 -1.793 11.033 29 HB VAL 4 HB VAL 4 8.388 -0.730 12.136 30 HG11 VAL 4 HG11 VAL 4 7.988 -0.899 9.717 31 HG12 VAL 4 HG12 VAL 4 7.054 -2.392 9.971 32 HG13 VAL 4 HG13 VAL 4 6.458 -0.847 10.625 33 HG21 VAL 4 HG21 VAL 4 7.313 -3.495 12.591 34 HG22 VAL 4 HG22 VAL 4 7.552 -2.159 13.743 35 HG23 VAL 4 HG23 VAL 4 6.190 -2.114 12.597 36 H TYR 5 HN TYR 5 11.730 -2.056 12.496 37 HA TYR 5 HA TYR 5 11.271 -4.044 14.615 38 HB2 TYR 5 HB2 TYR 5 13.582 -3.057 12.904 39 HB3 TYR 5 HB3 TYR 5 13.979 -3.560 14.534 40 HD1 TYR 5 HD1 TYR 5 12.080 -5.858 14.873 41 HD2 TYR 5 HD2 TYR 5 14.548 -4.730 11.566 42 HE1 TYR 5 HE1 TYR 5 12.163 -8.279 14.100 43 HE2 TYR 5 HE2 TYR 5 14.623 -7.154 10.804 44 HH TYR 5 HH TYR 5 14.023 -9.184 11.207 45 H ALA 6 HN ALA 6 11.357 -3.409 16.735 46 HA ALA 6 HA ALA 6 12.359 -0.694 17.240 47 HB1 ALA 6 HB1 ALA 6 9.678 -1.769 17.563 48 HB2 ALA 6 HB2 ALA 6 10.343 -1.259 19.133 49 HB3 ALA 6 HB3 ALA 6 10.260 -0.102 17.783 50 H TYR 7 HN TYR 7 13.508 -0.420 19.196 51 HA TYR 7 HA TYR 7 13.797 -2.791 20.875 52 HB2 TYR 7 HB2 TYR 7 15.579 -2.706 19.027 53 HB3 TYR 7 HB3 TYR 7 16.033 -1.106 19.582 54 HD1 TYR 7 HD2 TYR 7 16.810 -0.917 22.079 55 HD2 TYR 7 HD1 TYR 7 16.669 -4.589 19.888 56 HE1 TYR 7 HE2 TYR 7 18.466 -1.958 23.703 57 HE2 TYR 7 HE1 TYR 7 18.326 -5.618 21.520 58 HH TYR 7 HH TYR 7 20.146 -3.791 23.630 59 H VAL 8 HN VAL 8 13.279 -2.090 22.886 60 HA VAL 8 HA VAL 8 14.167 0.619 23.601 61 HB VAL 8 HB VAL 8 11.771 -1.014 24.439 62 HG11 VAL 8 HG11 VAL 8 12.110 -0.101 26.486 63 HG12 VAL 8 HG12 VAL 8 13.172 1.183 25.859 64 HG13 VAL 8 HG13 VAL 8 11.405 1.345 25.724 65 HG21 VAL 8 HG21 VAL 8 12.095 1.672 23.063 66 HG22 VAL 8 HG22 VAL 8 11.431 0.172 22.371 67 HG23 VAL 8 HG23 VAL 8 10.546 1.028 23.657 68 H ARG 9 HN ARG 9 15.185 0.926 25.637 69 HA ARG 9 HA ARG 9 15.513 -1.298 27.350 70 HB2 ARG 9 HB2 ARG 9 17.322 -2.108 26.136 71 HB3 ARG 9 HB3 ARG 9 17.662 -0.555 25.400 72 HG2 ARG 9 HG2 ARG 9 18.805 0.250 27.364 73 HG3 ARG 9 HG3 ARG 9 18.176 -1.048 28.359 74 HD2 ARG 9 HD2 ARG 9 19.930 -2.385 27.817 75 HD3 ARG 9 HD3 ARG 9 19.589 -2.214 26.107 76 HE ARG 9 HE ARG 9 20.804 0.164 26.602 77 HH11 ARG 9 HH22 ARG 9 21.719 -3.117 27.579 78 HH12 ARG 9 HH21 ARG 9 23.415 -2.768 27.611 79 HH22 ARG 9 HH1 ARG 9 24.170 -0.562 27.057 80 H ILE 10 HN ILE 10 15.145 -0.205 29.262 81 HA ILE 10 HA ILE 10 16.828 2.114 29.798 82 HB ILE 10 HB ILE 10 13.948 2.272 30.560 83 HG12 ILE 10 HG12 ILE 10 15.047 2.772 27.791 84 HG13 ILE 10 HG13 ILE 10 13.672 1.789 28.255 85 HG21 ILE 10 HG21 ILE 10 16.224 3.891 30.857 86 HG22 ILE 10 HG22 ILE 10 15.208 4.699 29.639 87 HG23 ILE 10 HG23 ILE 10 14.534 4.301 31.238 88 HD11 ILE 10 HD11 ILE 10 12.734 4.063 29.258 89 HD12 ILE 10 HD12 ILE 10 13.898 4.798 28.130 90 HD13 ILE 10 HD13 ILE 10 12.609 3.738 27.512 91 H ARG 11 HN ARG 11 17.234 2.449 32.059 92 HA ARG 11 HA ARG 11 17.606 1.822 34.092 93 HB2 ARG 11 HB2 ARG 11 14.999 0.245 33.803 94 HB3 ARG 11 HB3 ARG 11 15.827 0.487 35.329 95 HG2 ARG 11 HG2 ARG 11 14.239 2.426 33.703 96 HG3 ARG 11 HG3 ARG 11 14.401 2.302 35.444 97 HD2 ARG 11 HD2 ARG 11 16.763 3.232 35.229 98 HD3 ARG 11 HD3 ARG 11 16.464 3.479 33.520 99 HE ARG 11 HE ARG 11 14.399 4.674 35.215 100 HH11 ARG 11 HH22 ARG 11 17.584 5.201 33.754 101 HH12 ARG 11 HH21 ARG 11 17.459 6.928 33.805 102 HH22 ARG 11 HH1 ARG 11 15.481 7.935 34.708 103 H GLY 12 HN GLY 12 15.912 -1.233 33.104 104 HA2 GLY 12 HA1 GLY 12 18.343 -2.661 32.607 105 HA3 GLY 12 HA2 GLY 12 17.687 -3.013 34.193 106 H VAL 13 HN VAL 13 15.580 -2.078 31.471 107 HA VAL 13 HA VAL 13 14.728 -4.882 31.270 108 HB VAL 13 HB VAL 13 12.957 -2.431 31.246 109 HG11 VAL 13 HG11 VAL 13 12.554 -5.220 30.481 110 HG12 VAL 13 HG12 VAL 13 11.412 -4.695 31.742 111 HG13 VAL 13 HG13 VAL 13 11.519 -3.798 30.209 112 HG21 VAL 13 HG21 VAL 13 12.096 -3.612 33.420 113 HG22 VAL 13 HG22 VAL 13 13.717 -4.348 33.437 114 HG23 VAL 13 HG23 VAL 13 13.543 -2.577 33.486 115 H LEU 14 HN LEU 14 14.872 -5.677 29.236 116 HA LEU 14 HA LEU 14 15.232 -3.715 27.095 117 HB2 LEU 14 HB2 LEU 14 17.065 -5.247 27.408 118 HB3 LEU 14 HB3 LEU 14 15.990 -6.628 27.328 119 HG LEU 14 HG LEU 14 15.792 -6.544 25.044 120 HD11 LEU 14 HD11 LEU 14 14.837 -4.433 24.681 121 HD12 LEU 14 HD12 LEU 14 16.282 -3.575 25.267 122 HD13 LEU 14 HD13 LEU 14 16.327 -4.431 23.707 123 HD21 LEU 14 HD21 LEU 14 18.495 -5.265 25.542 124 HD22 LEU 14 HD22 LEU 14 18.116 -7.004 25.573 125 HD23 LEU 14 HD23 LEU 14 17.999 -6.094 24.047 126 H VAL 15 HN VAL 15 13.422 -3.209 25.991 127 HA VAL 15 HA VAL 15 11.462 -5.369 25.627 128 HB VAL 15 HB VAL 15 10.825 -2.440 25.461 129 HG11 VAL 15 HG11 VAL 15 9.359 -4.766 25.029 130 HG12 VAL 15 HG12 VAL 15 8.868 -4.248 26.660 131 HG13 VAL 15 HG13 VAL 15 8.702 -3.131 25.284 132 HG21 VAL 15 HG21 VAL 15 11.402 -2.166 27.611 133 HG22 VAL 15 HG22 VAL 15 10.001 -3.195 27.996 134 HG23 VAL 15 HG23 VAL 15 11.624 -3.914 27.865 135 H ARG 16 HN ARG 16 12.306 -6.223 23.699 136 HA ARG 16 HA ARG 16 12.753 -4.329 21.572 137 HB2 ARG 16 HB2 ARG 16 13.187 -7.358 21.689 138 HB3 ARG 16 HB3 ARG 16 13.642 -6.340 20.337 139 HG2 ARG 16 HG2 ARG 16 15.117 -4.999 21.903 140 HG3 ARG 16 HG3 ARG 16 14.726 -6.129 23.185 141 HD2 ARG 16 HD2 ARG 16 16.332 -6.623 20.659 142 HD3 ARG 16 HD3 ARG 16 16.778 -6.959 22.320 143 HE ARG 16 HE ARG 16 14.638 -8.609 22.046 144 HH11 ARG 16 HH22 ARG 16 17.394 -8.062 19.887 145 HH12 ARG 16 HH21 ARG 16 17.355 -9.663 19.229 146 HH22 ARG 16 HH1 ARG 16 15.696 -11.210 20.002 147 H TYR 17 HN TYR 17 11.026 -3.812 20.266 148 HA TYR 17 HA TYR 17 8.859 -5.770 20.052 149 HB2 TYR 17 HB2 TYR 17 8.883 -3.111 20.695 150 HB3 TYR 17 HB3 TYR 17 8.887 -2.929 18.952 151 HD1 TYR 17 HD1 TYR 17 6.984 -4.491 21.758 152 HD2 TYR 17 HD2 TYR 17 6.880 -3.082 17.720 153 HE1 TYR 17 HE1 TYR 17 4.458 -4.776 21.716 154 HE2 TYR 17 HE2 TYR 17 4.354 -3.372 17.691 155 HH TYR 17 HH TYR 17 2.695 -4.801 18.902 156 H ARG 18 HN ARG 18 7.820 -6.083 17.918 157 HA ARG 18 HA ARG 18 9.421 -5.310 15.673 158 HB2 ARG 18 HB2 ARG 18 9.236 -7.863 14.901 159 HB3 ARG 18 HB3 ARG 18 10.576 -7.331 15.897 160 HG2 ARG 18 HG2 ARG 18 9.848 -8.496 17.742 161 HG3 ARG 18 HG3 ARG 18 8.162 -8.116 17.448 162 HD2 ARG 18 HD2 ARG 18 7.899 -9.904 15.884 163 HD3 ARG 18 HD3 ARG 18 9.625 -10.060 15.627 164 HE ARG 18 HE ARG 18 9.354 -10.606 18.326 165 HH11 ARG 18 HH22 ARG 18 7.810 -11.911 15.416 166 HH12 ARG 18 HH21 ARG 18 7.548 -13.477 16.107 167 HH22 ARG 18 HH1 ARG 18 8.260 -13.902 18.355 168 H ARG 19 HN ARG 19 8.271 -5.945 13.554 169 HA ARG 19 HA ARG 19 5.751 -7.022 13.558 170 HB2 ARG 19 HB2 ARG 19 5.455 -4.681 14.824 171 HB3 ARG 19 HB3 ARG 19 5.486 -4.025 13.200 172 HG2 ARG 19 HG2 ARG 19 3.694 -6.394 13.717 173 HG3 ARG 19 HG3 ARG 19 3.195 -4.842 14.359 174 HD2 ARG 19 HD2 ARG 19 4.079 -4.367 11.670 175 HD3 ARG 19 HD3 ARG 19 3.063 -5.794 11.618 176 HE ARG 19 HE ARG 19 2.197 -3.072 12.188 177 HH11 ARG 19 HH22 ARG 19 1.436 -6.480 12.789 178 HH12 ARG 19 HH21 ARG 19 -0.243 -6.181 13.090 179 HH22 ARG 19 HH1 ARG 19 -1.076 -3.937 12.965 180 H CYS 20 HN CYS 20 4.723 -6.835 11.358 181 HA CYS 20 HA CYS 20 6.283 -5.430 9.380 182 HB2 CYS 20 HB2 CYS 20 6.006 -8.441 9.333 183 HB3 CYS 20 HB3 CYS 20 6.513 -7.472 7.964 184 H TRP 21 HN TRP 21 5.021 -5.087 7.431 185 HA TRP 21 HA TRP 21 2.389 -6.289 7.320 186 HB2 TRP 21 HB2 TRP 21 1.490 -3.850 6.970 187 HB3 TRP 21 HB3 TRP 21 1.564 -4.585 8.559 188 HD1 TRP 21 HD1 TRP 21 3.004 -3.299 10.368 189 HE1 TRP 21 HE1 TRP 21 4.539 -1.154 10.460 190 HE3 TRP 21 HE3 TRP 21 3.190 -2.573 5.338 191 HZ2 TRP 21 HZ2 TRP 21 5.634 0.567 8.463 192 HZ3 TRP 21 HZ3 TRP 21 4.514 -0.637 4.493 193 HH2 TRP 21 HH2 TRP 21 5.709 0.904 5.965 194 H1 ARG 31 HN ARG 31 7.089 -0.059 3.720 195 HA ARG 31 HA ARG 31 9.798 0.754 3.241 196 HB2 ARG 31 HB2 ARG 31 7.569 1.757 5.062 197 HB3 ARG 31 HB3 ARG 31 9.200 2.382 5.201 198 HG2 ARG 31 HG2 ARG 31 8.584 2.427 2.413 199 HG3 ARG 31 HG3 ARG 31 7.154 3.029 3.227 200 HD2 ARG 31 HD2 ARG 31 9.631 4.144 4.382 201 HD3 ARG 31 HD3 ARG 31 9.487 4.499 2.672 202 HE ARG 31 HE ARG 31 7.750 5.496 4.821 203 HH11 ARG 31 HH22 ARG 31 8.046 4.962 1.330 204 HH12 ARG 31 HH21 ARG 31 6.852 6.148 0.922 205 HH22 ARG 31 HH1 ARG 31 5.765 7.371 2.673 206 H TRP 32 HN TRP 32 11.034 1.294 5.520 207 HA TRP 32 HA TRP 32 10.708 -1.055 7.254 208 HB2 TRP 32 HB2 TRP 32 13.103 -0.143 5.751 209 HB3 TRP 32 HB3 TRP 32 13.358 -0.680 7.399 210 HD1 TRP 32 HD1 TRP 32 12.339 -2.044 3.954 211 HE1 TRP 32 HE1 TRP 32 12.404 -4.682 3.904 212 HE3 TRP 32 HE3 TRP 32 13.091 -2.643 8.948 213 HZ2 TRP 32 HZ2 TRP 32 12.755 -6.678 5.914 214 HZ3 TRP 32 HZ3 TRP 32 13.284 -4.970 9.822 215 HH2 TRP 32 HH2 TRP 32 13.128 -6.947 8.393 216 H CYS 33 HN CYS 33 9.782 -0.026 9.020 217 HA CYS 33 HA CYS 33 10.791 2.570 9.778 218 HB2 CYS 33 HB2 CYS 33 8.433 0.899 10.472 219 HB3 CYS 33 HB3 CYS 33 9.023 1.986 11.713 220 H VAL 34 HN VAL 34 11.606 2.949 12.018 221 HA VAL 34 HA VAL 34 12.406 0.599 13.498 222 HB VAL 34 HB VAL 34 14.775 1.300 13.537 223 HG11 VAL 34 HG11 VAL 34 15.366 0.115 11.623 224 HG12 VAL 34 HG12 VAL 34 13.690 -0.419 11.900 225 HG13 VAL 34 HG13 VAL 34 14.040 0.807 10.658 226 HG21 VAL 34 HG21 VAL 34 13.990 3.141 11.251 227 HG22 VAL 34 HG22 VAL 34 14.458 3.658 12.889 228 HG23 VAL 34 HG23 VAL 34 15.641 2.837 11.843 229 H TYR 35 HN TYR 35 12.011 1.027 15.606 230 HA TYR 35 HA TYR 35 12.423 3.772 16.529 231 HB2 TYR 35 HB2 TYR 35 9.945 2.883 15.842 232 HB3 TYR 35 HB3 TYR 35 10.043 2.063 17.388 233 HD1 TYR 35 HD2 TYR 35 10.100 3.347 19.496 234 HD2 TYR 35 HD1 TYR 35 9.705 5.301 15.710 235 HE1 TYR 35 HE2 TYR 35 9.335 5.472 20.664 236 HE2 TYR 35 HE1 TYR 35 8.941 7.419 16.891 237 HH TYR 35 HH TYR 35 8.029 7.433 20.153 238 H ALA 36 HN ALA 36 13.992 3.543 18.052 239 HA ALA 36 HA ALA 36 13.590 1.391 20.010 240 HB1 ALA 36 HB1 ALA 36 16.098 2.236 18.533 241 HB2 ALA 36 HB2 ALA 36 16.174 1.390 20.097 242 HB3 ALA 36 HB3 ALA 36 15.398 0.608 18.699 243 H TYR 37 HN TYR 37 14.176 1.926 22.183 244 HA TYR 37 HA TYR 37 14.864 4.746 22.607 245 HB2 TYR 37 HB2 TYR 37 12.318 3.958 22.789 246 HB3 TYR 37 HB3 TYR 37 12.836 3.118 24.237 247 HD1 TYR 37 HD2 TYR 37 13.959 4.529 26.097 248 HD2 TYR 37 HD1 TYR 37 11.713 6.231 22.878 249 HE1 TYR 37 HE2 TYR 37 13.634 6.662 27.442 250 HE2 TYR 37 HE1 TYR 37 11.396 8.358 24.234 251 HH TYR 37 HH TYR 37 11.394 9.059 26.506 252 H VAL 38 HN VAL 38 17.038 3.714 22.934 253 HA VAL 38 HA VAL 38 17.190 2.191 25.423 254 HB VAL 38 HB VAL 38 19.165 2.706 23.194 255 HG11 VAL 38 HG11 VAL 38 20.592 2.504 25.008 256 HG12 VAL 38 HG12 VAL 38 19.494 1.415 25.889 257 HG13 VAL 38 HG13 VAL 38 20.422 0.807 24.497 258 HG21 VAL 38 HG21 VAL 38 17.203 0.582 23.784 259 HG22 VAL 38 HG22 VAL 38 17.966 1.049 22.245 260 HG23 VAL 38 HG23 VAL 38 18.836 -0.005 23.385 261 H ARG 39 HN ARG 39 18.311 2.945 27.236 262 HA ARG 39 HA ARG 39 19.561 5.530 26.969 263 HB2 ARG 39 HB2 ARG 39 17.096 5.798 27.696 264 HB3 ARG 39 HB3 ARG 39 17.528 4.979 29.183 265 HG2 ARG 39 HG2 ARG 39 19.274 6.729 29.627 266 HG3 ARG 39 HG3 ARG 39 18.810 7.555 28.153 267 HD2 ARG 39 HD2 ARG 39 17.148 8.630 29.262 268 HD3 ARG 39 HD3 ARG 39 16.397 7.096 29.652 269 HE ARG 39 HE ARG 39 17.440 7.119 31.786 270 HH11 ARG 39 HH22 ARG 39 18.593 9.819 29.803 271 HH12 ARG 39 HH21 ARG 39 19.338 10.641 31.133 272 HH22 ARG 39 HH1 ARG 39 19.225 9.672 33.322 273 H ILE 40 HN ILE 40 21.373 5.735 28.333 274 HA ILE 40 HA ILE 40 21.614 3.961 30.601 275 HB ILE 40 HB ILE 40 23.182 3.641 28.082 276 HG12 ILE 40 HG12 ILE 40 21.454 2.040 29.781 277 HG13 ILE 40 HG13 ILE 40 21.973 1.767 28.130 278 HG21 ILE 40 HG21 ILE 40 24.888 4.283 29.691 279 HG22 ILE 40 HG22 ILE 40 24.277 3.079 30.852 280 HG23 ILE 40 HG23 ILE 40 25.005 2.546 29.317 281 HD11 ILE 40 HD11 ILE 40 23.676 1.172 30.594 282 HD12 ILE 40 HD12 ILE 40 22.743 -0.038 29.682 283 HD13 ILE 40 HD13 ILE 40 24.105 0.805 28.906 284 H ARG 41 HN ARG 41 23.537 4.551 31.949 285 HA ARG 41 HA ARG 41 24.612 6.065 33.059 286 HB2 ARG 41 HB2 ARG 41 25.309 6.957 30.226 287 HB3 ARG 41 HB3 ARG 41 26.029 7.723 31.628 288 HG2 ARG 41 HG2 ARG 41 26.096 4.700 31.327 289 HG3 ARG 41 HG3 ARG 41 27.275 5.698 30.499 290 HD2 ARG 41 HD2 ARG 41 26.923 6.427 33.356 291 HD3 ARG 41 HD3 ARG 41 27.498 4.788 33.124 292 HE ARG 41 HE ARG 41 29.005 7.209 32.655 293 HH11 ARG 41 HH22 ARG 41 28.585 3.914 31.422 294 HH12 ARG 41 HH21 ARG 41 30.186 3.821 30.769 295 HH22 ARG 41 HH1 ARG 41 31.659 5.698 30.999 296 H GLY 42 HN GLY 42 23.961 8.339 30.329 297 HA2 GLY 42 HA1 GLY 42 21.762 9.617 31.696 298 HA3 GLY 42 HA2 GLY 42 23.256 10.532 31.742 299 H VAL 43 HN VAL 43 22.588 8.342 29.025 300 HA VAL 43 HA VAL 43 21.861 10.664 27.387 301 HB VAL 43 HB VAL 43 23.599 8.537 26.239 302 HG11 VAL 43 HG11 VAL 43 22.690 11.214 25.579 303 HG12 VAL 43 HG12 VAL 43 24.464 11.102 25.501 304 HG13 VAL 43 HG13 VAL 43 23.459 9.987 24.545 305 HG21 VAL 43 HG21 VAL 43 24.589 10.689 28.133 306 HG22 VAL 43 HG22 VAL 43 24.813 8.928 28.264 307 HG23 VAL 43 HG23 VAL 43 25.634 9.836 26.972 308 H LEU 44 HN LEU 44 19.960 10.334 26.360 309 HA LEU 44 HA LEU 44 19.035 7.566 26.171 310 HB2 LEU 44 HB2 LEU 44 17.380 8.626 27.277 311 HB3 LEU 44 HB3 LEU 44 17.754 10.195 26.591 312 HG LEU 44 HG LEU 44 16.671 9.511 24.466 313 HD11 LEU 44 HD11 LEU 44 16.575 6.910 25.843 314 HD12 LEU 44 HD12 LEU 44 15.060 7.385 25.039 315 HD13 LEU 44 HD13 LEU 44 16.573 7.300 24.106 316 HD21 LEU 44 HD21 LEU 44 14.727 10.328 25.202 317 HD22 LEU 44 HD22 LEU 44 14.480 8.979 26.336 318 HD23 LEU 44 HD23 LEU 44 15.497 10.362 26.806 319 H VAL 45 HN VAL 45 19.309 6.557 24.262 320 HA VAL 45 HA VAL 45 19.557 8.251 21.887 321 HB VAL 45 HB VAL 45 20.215 5.325 22.041 322 HG11 VAL 45 HG11 VAL 45 22.083 6.345 20.454 323 HG12 VAL 45 HG12 VAL 45 20.452 5.969 19.848 324 HG13 VAL 45 HG13 VAL 45 20.882 7.645 20.268 325 HG21 VAL 45 HG21 VAL 45 21.512 5.948 23.847 326 HG22 VAL 45 HG22 VAL 45 22.632 6.267 22.501 327 HG23 VAL 45 HG23 VAL 45 21.739 7.610 23.253 328 H ARG 46 HN ARG 46 17.630 8.578 20.891 329 HA ARG 46 HA ARG 46 15.895 6.244 20.737 330 HB2 ARG 46 HB2 ARG 46 15.039 9.177 20.590 331 HB3 ARG 46 HB3 ARG 46 13.973 7.788 20.651 332 HG2 ARG 46 HG2 ARG 46 14.956 7.200 22.917 333 HG3 ARG 46 HG3 ARG 46 15.887 8.683 22.856 334 HD2 ARG 46 HD2 ARG 46 12.836 8.536 22.717 335 HD3 ARG 46 HD3 ARG 46 13.752 8.942 24.154 336 HE ARG 46 HE ARG 46 14.384 10.616 21.819 337 HH11 ARG 46 HH22 ARG 46 12.332 10.259 24.686 338 HH12 ARG 46 HH21 ARG 46 11.954 11.947 24.778 339 HH22 ARG 46 HH1 ARG 46 12.878 13.447 23.153 340 H TYR 47 HN TYR 47 15.922 5.394 18.679 341 HA TYR 47 HA TYR 47 16.529 7.214 16.469 342 HB2 TYR 47 HB2 TYR 47 17.784 4.995 17.028 343 HB3 TYR 47 HB3 TYR 47 16.297 4.148 16.651 344 HD1 TYR 47 HD2 TYR 47 15.259 4.928 14.240 345 HD2 TYR 47 HD1 TYR 47 19.387 5.034 15.360 346 HE1 TYR 47 HE2 TYR 47 15.933 4.845 11.790 347 HE2 TYR 47 HE1 TYR 47 20.047 4.951 12.906 348 HH TYR 47 HH TYR 47 18.716 5.743 10.657 349 H ARG 48 HN ARG 48 15.125 7.552 14.753 350 HA ARG 48 HA ARG 48 12.779 5.915 14.613 351 HB2 ARG 48 HB2 ARG 48 12.602 8.944 15.022 352 HB3 ARG 48 HB3 ARG 48 11.243 7.919 14.606 353 HG2 ARG 48 HG2 ARG 48 11.019 8.007 16.931 354 HG3 ARG 48 HG3 ARG 48 11.958 6.539 16.753 355 HD2 ARG 48 HD2 ARG 48 13.644 7.435 17.979 356 HD3 ARG 48 HD3 ARG 48 13.812 8.749 16.832 357 HE ARG 48 HE ARG 48 11.568 9.026 18.731 358 HH11 ARG 48 HH22 ARG 48 14.941 9.834 18.009 359 HH12 ARG 48 HH21 ARG 48 14.976 11.190 19.086 360 HH22 ARG 48 HH1 ARG 48 13.009 11.749 20.335 361 H ARG 49 HN ARG 49 12.687 5.391 12.452 362 HA ARG 49 HA ARG 49 12.705 7.466 10.539 363 HB2 ARG 49 HB2 ARG 49 15.219 6.868 11.035 364 HB3 ARG 49 HB3 ARG 49 14.893 5.378 10.172 365 HG2 ARG 49 HG2 ARG 49 15.832 7.343 8.781 366 HG3 ARG 49 HG3 ARG 49 14.436 6.511 8.124 367 HD2 ARG 49 HD2 ARG 49 14.323 9.078 8.084 368 HD3 ARG 49 HD3 ARG 49 12.933 8.269 8.779 369 HE ARG 49 HE ARG 49 14.985 8.932 10.763 370 HH11 ARG 49 HH22 ARG 49 12.140 10.146 9.035 371 HH12 ARG 49 HH21 ARG 49 11.763 11.335 10.237 372 HH22 ARG 49 HH1 ARG 49 13.157 11.524 12.177 373 H CYS 50 HN CYS 50 12.292 6.526 8.271 374 HA CYS 50 HA CYS 50 11.539 3.745 8.253 375 HB2 CYS 50 HB2 CYS 50 9.458 5.863 7.680 376 HB3 CYS 50 HB3 CYS 50 9.252 4.128 7.548 377 H TRP 51 HN TRP 51 11.741 2.915 6.138 378 HA TRP 51 HA TRP 51 11.994 4.859 3.972 379 HB2 TRP 51 HB2 TRP 51 14.097 4.300 3.351 380 HB3 TRP 51 HB3 TRP 51 14.253 4.134 5.089 381 HD1 TRP 51 HD1 TRP 51 13.768 1.857 1.967 382 HE1 TRP 51 HE1 TRP 51 14.747 -0.553 2.409 383 HE3 TRP 51 HE3 TRP 51 14.912 2.647 6.859 384 HZ2 TRP 51 HZ2 TRP 51 15.865 -1.830 4.704 385 HZ3 TRP 51 HZ3 TRP 51 15.944 0.766 8.128 386 HH2 TRP 51 HH2 TRP 51 16.422 -1.412 7.127 Start of MODEL 13 1 H1 ARG 1 HN ARG 1 8.065 -5.346 -0.053 2 HA ARG 1 HA ARG 1 6.224 -6.013 2.100 3 HB2 ARG 1 HB2 ARG 1 7.929 -7.755 1.037 4 HB3 ARG 1 HB3 ARG 1 9.122 -6.919 2.012 5 HG2 ARG 1 HG2 ARG 1 6.525 -7.944 3.225 6 HG3 ARG 1 HG3 ARG 1 7.926 -8.984 3.061 7 HD2 ARG 1 HD2 ARG 1 8.937 -6.585 4.195 8 HD3 ARG 1 HD3 ARG 1 7.419 -6.865 5.024 9 HE ARG 1 HE ARG 1 8.309 -8.824 5.993 10 HH11 ARG 1 HH22 ARG 1 10.492 -7.642 3.464 11 HH12 ARG 1 HH21 ARG 1 11.781 -8.712 3.904 12 HH22 ARG 1 HH1 ARG 1 11.475 -10.228 5.734 13 H TRP 2 HN TRP 2 6.403 -4.883 4.047 14 HA TRP 2 HA TRP 2 8.780 -3.183 4.355 15 HB2 TRP 2 HB2 TRP 2 7.451 -1.366 5.126 16 HB3 TRP 2 HB3 TRP 2 6.871 -1.851 3.545 17 HD1 TRP 2 HD1 TRP 2 4.576 -3.662 3.775 18 HE1 TRP 2 HE1 TRP 2 2.420 -3.411 5.276 19 HE3 TRP 2 HE3 TRP 2 6.642 -0.441 7.123 20 HZ2 TRP 2 HZ2 TRP 2 1.834 -1.927 7.642 21 HZ3 TRP 2 HZ3 TRP 2 5.209 0.361 8.999 22 HH2 TRP 2 HH2 TRP 2 2.883 -0.330 9.288 23 H CYS 3 HN CYS 3 9.679 -3.266 6.417 24 HA CYS 3 HA CYS 3 8.150 -4.815 8.380 25 HB2 CYS 3 HB2 CYS 3 10.965 -5.080 7.463 26 HB3 CYS 3 HB3 CYS 3 10.673 -5.267 9.181 27 H VAL 4 HN VAL 4 9.043 -4.301 10.710 28 HA VAL 4 HA VAL 4 10.185 -1.656 10.941 29 HB VAL 4 HB VAL 4 8.408 -0.575 11.854 30 HG11 VAL 4 HG11 VAL 4 7.108 -2.595 9.999 31 HG12 VAL 4 HG12 VAL 4 6.326 -1.103 10.574 32 HG13 VAL 4 HG13 VAL 4 7.787 -1.009 9.562 33 HG21 VAL 4 HG21 VAL 4 6.360 -1.858 12.765 34 HG22 VAL 4 HG22 VAL 4 7.412 -3.293 12.712 35 HG23 VAL 4 HG23 VAL 4 7.864 -1.894 13.715 36 H TYR 5 HN TYR 5 11.649 -1.714 12.569 37 HA TYR 5 HA TYR 5 11.263 -3.809 14.600 38 HB2 TYR 5 HB2 TYR 5 13.575 -2.689 12.975 39 HB3 TYR 5 HB3 TYR 5 13.945 -3.194 14.612 40 HD1 TYR 5 HD1 TYR 5 12.153 -5.586 14.865 41 HD2 TYR 5 HD2 TYR 5 14.660 -4.295 11.648 42 HE1 TYR 5 HE1 TYR 5 12.378 -7.989 14.066 43 HE2 TYR 5 HE2 TYR 5 14.877 -6.702 10.860 44 HH TYR 5 HH TYR 5 12.848 -9.106 11.835 45 H ALA 6 HN ALA 6 11.612 -3.279 16.780 46 HA ALA 6 HA ALA 6 12.382 -0.518 17.339 47 HB1 ALA 6 HB1 ALA 6 10.322 0.089 17.997 48 HB2 ALA 6 HB2 ALA 6 9.701 -1.464 17.390 49 HB3 ALA 6 HB3 ALA 6 10.222 -1.316 19.085 50 H TYR 7 HN TYR 7 13.508 -0.283 19.295 51 HA TYR 7 HA TYR 7 13.695 -2.644 20.999 52 HB2 TYR 7 HB2 TYR 7 15.524 -2.673 19.222 53 HB3 TYR 7 HB3 TYR 7 15.988 -1.050 19.691 54 HD1 TYR 7 HD2 TYR 7 16.622 -0.769 22.264 55 HD2 TYR 7 HD1 TYR 7 16.690 -4.473 20.125 56 HE1 TYR 7 HE2 TYR 7 18.244 -1.732 23.969 57 HE2 TYR 7 HE1 TYR 7 18.311 -5.424 21.837 58 HH TYR 7 HH TYR 7 19.572 -3.390 24.449 59 H VAL 8 HN VAL 8 13.119 -1.888 22.976 60 HA VAL 8 HA VAL 8 14.151 0.764 23.713 61 HB VAL 8 HB VAL 8 11.668 -0.591 24.768 62 HG11 VAL 8 HG11 VAL 8 11.595 2.259 24.919 63 HG12 VAL 8 HG12 VAL 8 11.637 1.075 26.248 64 HG13 VAL 8 HG13 VAL 8 13.157 1.713 25.575 65 HG21 VAL 8 HG21 VAL 8 11.535 -0.129 22.300 66 HG22 VAL 8 HG22 VAL 8 10.337 0.744 23.284 67 HG23 VAL 8 HG23 VAL 8 11.774 1.596 22.669 68 H ARG 9 HN ARG 9 15.410 0.902 25.532 69 HA ARG 9 HA ARG 9 15.315 -1.299 27.376 70 HB2 ARG 9 HB2 ARG 9 17.101 -2.207 26.152 71 HB3 ARG 9 HB3 ARG 9 17.666 -0.641 25.606 72 HG2 ARG 9 HG2 ARG 9 18.596 -0.131 27.817 73 HG3 ARG 9 HG3 ARG 9 17.873 -1.570 28.507 74 HD2 ARG 9 HD2 ARG 9 19.685 -2.799 27.908 75 HD3 ARG 9 HD3 ARG 9 19.428 -2.396 26.222 76 HE ARG 9 HE ARG 9 20.618 -0.113 27.123 77 HH11 ARG 9 HH22 ARG 9 21.491 -3.517 27.576 78 HH12 ARG 9 HH21 ARG 9 23.187 -3.193 27.710 79 HH22 ARG 9 HH1 ARG 9 23.967 -0.933 27.545 80 H ILE 10 HN ILE 10 15.175 -0.352 29.385 81 HA ILE 10 HA ILE 10 16.921 1.865 29.999 82 HB ILE 10 HB ILE 10 14.026 2.301 30.580 83 HG12 ILE 10 HG12 ILE 10 15.338 3.032 27.945 84 HG13 ILE 10 HG13 ILE 10 14.133 1.778 28.159 85 HG21 ILE 10 HG21 ILE 10 16.454 3.693 31.008 86 HG22 ILE 10 HG22 ILE 10 15.519 4.625 29.815 87 HG23 ILE 10 HG23 ILE 10 14.796 4.215 31.389 88 HD11 ILE 10 HD11 ILE 10 12.816 3.832 29.361 89 HD12 ILE 10 HD12 ILE 10 13.812 4.752 28.208 90 HD13 ILE 10 HD13 ILE 10 12.697 3.497 27.617 91 H ARG 11 HN ARG 11 17.104 2.218 32.324 92 HA ARG 11 HA ARG 11 17.272 1.547 34.370 93 HB2 ARG 11 HB2 ARG 11 14.630 0.103 33.822 94 HB3 ARG 11 HB3 ARG 11 15.330 0.273 35.420 95 HG2 ARG 11 HG2 ARG 11 13.986 2.319 33.710 96 HG3 ARG 11 HG3 ARG 11 13.993 2.156 35.455 97 HD2 ARG 11 HD2 ARG 11 16.402 2.975 35.464 98 HD3 ARG 11 HD3 ARG 11 16.271 3.257 33.739 99 HE ARG 11 HE ARG 11 14.095 4.538 35.171 100 HH11 ARG 11 HH22 ARG 11 17.523 4.905 34.352 101 HH12 ARG 11 HH21 ARG 11 17.501 6.630 34.497 102 HH22 ARG 11 HH1 ARG 11 15.457 7.732 35.092 103 H GLY 12 HN GLY 12 15.530 -1.418 33.214 104 HA2 GLY 12 HA1 GLY 12 17.943 -2.948 32.926 105 HA3 GLY 12 HA2 GLY 12 17.097 -3.296 34.420 106 H VAL 13 HN VAL 13 15.332 -2.206 31.525 107 HA VAL 13 HA VAL 13 14.394 -4.965 31.152 108 HB VAL 13 HB VAL 13 12.724 -2.453 30.961 109 HG11 VAL 13 HG11 VAL 13 12.060 -4.444 29.563 110 HG12 VAL 13 HG12 VAL 13 11.833 -5.350 31.079 111 HG13 VAL 13 HG13 VAL 13 10.838 -3.913 30.743 112 HG21 VAL 13 HG21 VAL 13 12.961 -2.513 33.233 113 HG22 VAL 13 HG22 VAL 13 11.648 -3.702 33.067 114 HG23 VAL 13 HG23 VAL 13 13.328 -4.254 33.264 115 H LEU 14 HN LEU 14 13.676 -5.462 28.944 116 HA LEU 14 HA LEU 14 14.554 -3.528 26.947 117 HB2 LEU 14 HB2 LEU 14 16.505 -4.868 27.306 118 HB3 LEU 14 HB3 LEU 14 15.580 -6.353 27.210 119 HG LEU 14 HG LEU 14 15.410 -6.282 24.908 120 HD11 LEU 14 HD11 LEU 14 14.369 -4.206 24.524 121 HD12 LEU 14 HD12 LEU 14 15.775 -3.292 25.122 122 HD13 LEU 14 HD13 LEU 14 15.874 -4.165 23.574 123 HD21 LEU 14 HD21 LEU 14 17.642 -5.668 23.996 124 HD22 LEU 14 HD22 LEU 14 18.031 -4.910 25.559 125 HD23 LEU 14 HD23 LEU 14 17.717 -6.660 25.472 126 H VAL 15 HN VAL 15 12.757 -3.157 25.769 127 HA VAL 15 HA VAL 15 11.025 -5.475 25.255 128 HB VAL 15 HB VAL 15 10.100 -2.641 25.016 129 HG11 VAL 15 HG11 VAL 15 8.075 -3.580 24.852 130 HG12 VAL 15 HG12 VAL 15 8.915 -5.141 24.694 131 HG13 VAL 15 HG13 VAL 15 8.343 -4.595 26.289 132 HG21 VAL 15 HG21 VAL 15 9.313 -3.236 27.552 133 HG22 VAL 15 HG22 VAL 15 10.932 -3.976 27.525 134 HG23 VAL 15 HG23 VAL 15 10.737 -2.247 27.150 135 H ARG 16 HN ARG 16 11.985 -6.243 23.360 136 HA ARG 16 HA ARG 16 12.540 -4.319 21.306 137 HB2 ARG 16 HB2 ARG 16 12.893 -7.354 21.448 138 HB3 ARG 16 HB3 ARG 16 13.337 -6.403 20.045 139 HG2 ARG 16 HG2 ARG 16 14.829 -4.997 21.575 140 HG3 ARG 16 HG3 ARG 16 14.489 -6.140 22.860 141 HD2 ARG 16 HD2 ARG 16 15.346 -7.438 20.329 142 HD3 ARG 16 HD3 ARG 16 16.559 -6.372 21.008 143 HE ARG 16 HE ARG 16 15.410 -8.056 23.067 144 HH11 ARG 16 HH22 ARG 16 17.731 -8.096 20.389 145 HH12 ARG 16 HH21 ARG 16 18.669 -9.390 21.058 146 HH22 ARG 16 HH1 ARG 16 18.014 -10.354 23.152 147 H TYR 17 HN TYR 17 10.712 -3.607 20.213 148 HA TYR 17 HA TYR 17 8.544 -5.479 19.746 149 HB2 TYR 17 HB2 TYR 17 8.696 -2.831 20.421 150 HB3 TYR 17 HB3 TYR 17 8.777 -2.634 18.682 151 HD1 TYR 17 HD1 TYR 17 6.857 -3.303 17.249 152 HD2 TYR 17 HD2 TYR 17 6.639 -3.465 21.519 153 HE1 TYR 17 HE1 TYR 17 4.321 -3.444 17.122 154 HE2 TYR 17 HE2 TYR 17 4.104 -3.606 21.377 155 HH TYR 17 HH TYR 17 2.496 -4.188 18.406 156 H ARG 18 HN ARG 18 7.631 -5.843 17.605 157 HA ARG 18 HA ARG 18 9.272 -5.049 15.399 158 HB2 ARG 18 HB2 ARG 18 9.178 -7.603 14.629 159 HB3 ARG 18 HB3 ARG 18 10.469 -7.044 15.674 160 HG2 ARG 18 HG2 ARG 18 9.010 -7.738 17.672 161 HG3 ARG 18 HG3 ARG 18 7.923 -8.494 16.525 162 HD2 ARG 18 HD2 ARG 18 10.902 -9.153 16.673 163 HD3 ARG 18 HD3 ARG 18 9.682 -10.047 17.559 164 HE ARG 18 HE ARG 18 8.803 -9.969 14.874 165 HH11 ARG 18 HH22 ARG 18 11.562 -11.281 16.669 166 HH12 ARG 18 HH21 ARG 18 11.823 -12.585 15.559 167 HH22 ARG 18 HH1 ARG 18 10.391 -12.805 13.649 168 H ARG 19 HN ARG 19 8.198 -5.827 13.250 169 HA ARG 19 HA ARG 19 5.680 -6.907 13.242 170 HB2 ARG 19 HB2 ARG 19 5.229 -4.615 14.417 171 HB3 ARG 19 HB3 ARG 19 5.524 -3.886 12.852 172 HG2 ARG 19 HG2 ARG 19 3.567 -6.186 13.041 173 HG3 ARG 19 HG3 ARG 19 3.057 -4.599 13.581 174 HD2 ARG 19 HD2 ARG 19 4.309 -4.060 11.125 175 HD3 ARG 19 HD3 ARG 19 3.503 -5.587 10.831 176 HE ARG 19 HE ARG 19 2.220 -3.031 11.123 177 HH11 ARG 19 HH22 ARG 19 1.766 -6.436 11.993 178 HH12 ARG 19 HH21 ARG 19 0.038 -6.318 12.053 179 HH22 ARG 19 HH1 ARG 19 -1.012 -4.216 11.585 180 H CYS 20 HN CYS 20 4.827 -7.030 11.027 181 HA CYS 20 HA CYS 20 6.296 -5.602 8.997 182 HB2 CYS 20 HB2 CYS 20 6.347 -8.623 9.145 183 HB3 CYS 20 HB3 CYS 20 6.827 -7.683 7.746 184 H TRP 21 HN TRP 21 4.983 -5.316 7.142 185 HA TRP 21 HA TRP 21 2.616 -6.951 6.852 186 HB2 TRP 21 HB2 TRP 21 1.635 -5.440 8.328 187 HB3 TRP 21 HB3 TRP 21 2.513 -4.068 7.681 188 HD1 TRP 21 HD1 TRP 21 0.077 -2.820 7.312 189 HE1 TRP 21 HE1 TRP 21 -1.743 -2.915 5.405 190 HE3 TRP 21 HE3 TRP 21 1.706 -7.174 5.253 191 HZ2 TRP 21 HZ2 TRP 21 -2.285 -4.760 3.295 192 HZ3 TRP 21 HZ3 TRP 21 0.475 -8.054 3.271 193 HH2 TRP 21 HH2 TRP 21 -1.457 -6.921 2.293 194 H1 ARG 31 HN ARG 31 7.471 -0.011 3.749 195 HA ARG 31 HA ARG 31 10.132 0.991 3.200 196 HB2 ARG 31 HB2 ARG 31 9.413 2.509 5.284 197 HB3 ARG 31 HB3 ARG 31 8.825 2.871 3.673 198 HG2 ARG 31 HG2 ARG 31 7.249 0.969 5.426 199 HG3 ARG 31 HG3 ARG 31 7.129 2.693 5.715 200 HD2 ARG 31 HD2 ARG 31 6.884 1.914 2.847 201 HD3 ARG 31 HD3 ARG 31 5.603 1.299 3.872 202 HE ARG 31 HE ARG 31 6.201 4.142 4.308 203 HH11 ARG 31 HH22 ARG 31 4.268 1.827 2.449 204 HH12 ARG 31 HH21 ARG 31 3.042 2.984 2.049 205 HH22 ARG 31 HH1 ARG 31 3.248 5.235 2.843 206 H TRP 32 HN TRP 32 11.108 1.644 5.697 207 HA TRP 32 HA TRP 32 10.867 -0.771 7.329 208 HB2 TRP 32 HB2 TRP 32 13.284 0.167 5.880 209 HB3 TRP 32 HB3 TRP 32 13.511 -0.362 7.535 210 HD1 TRP 32 HD1 TRP 32 12.487 -1.754 4.089 211 HE1 TRP 32 HE1 TRP 32 12.620 -4.389 4.044 212 HE3 TRP 32 HE3 TRP 32 13.366 -2.318 9.065 213 HZ2 TRP 32 HZ2 TRP 32 13.068 -6.369 6.049 214 HZ3 TRP 32 HZ3 TRP 32 13.639 -4.636 9.940 215 HH2 TRP 32 HH2 TRP 32 13.503 -6.621 8.521 216 H CYS 33 HN CYS 33 9.993 0.150 9.156 217 HA CYS 33 HA CYS 33 10.864 2.800 9.908 218 HB2 CYS 33 HB2 CYS 33 8.609 1.003 10.625 219 HB3 CYS 33 HB3 CYS 33 9.164 2.103 11.871 220 H VAL 34 HN VAL 34 11.674 3.201 12.156 221 HA VAL 34 HA VAL 34 12.637 0.885 13.590 222 HB VAL 34 HB VAL 34 14.944 1.531 13.546 223 HG11 VAL 34 HG11 VAL 34 14.022 0.083 11.705 224 HG12 VAL 34 HG12 VAL 34 13.963 1.534 10.675 225 HG13 VAL 34 HG13 VAL 34 15.524 0.944 11.294 226 HG21 VAL 34 HG21 VAL 34 13.892 3.973 12.190 227 HG22 VAL 34 HG22 VAL 34 15.197 3.796 13.388 228 HG23 VAL 34 HG23 VAL 34 15.491 3.374 11.684 229 H TYR 35 HN TYR 35 12.268 1.260 15.713 230 HA TYR 35 HA TYR 35 12.577 3.989 16.694 231 HB2 TYR 35 HB2 TYR 35 10.117 3.068 15.936 232 HB3 TYR 35 HB3 TYR 35 10.194 2.264 17.492 233 HD1 TYR 35 HD1 TYR 35 11.189 5.695 16.315 234 HD2 TYR 35 HD2 TYR 35 8.868 3.357 19.045 235 HE1 TYR 35 HE1 TYR 35 10.380 7.818 17.457 236 HE2 TYR 35 HE2 TYR 35 8.067 5.487 20.178 237 HH TYR 35 HH TYR 35 7.948 8.213 19.005 238 H ALA 36 HN ALA 36 14.142 3.706 18.218 239 HA ALA 36 HA ALA 36 13.666 1.568 20.170 240 HB1 ALA 36 HB1 ALA 36 16.202 2.254 18.659 241 HB2 ALA 36 HB2 ALA 36 16.248 1.419 20.230 242 HB3 ALA 36 HB3 ALA 36 15.412 0.670 18.848 243 H TYR 37 HN TYR 37 14.598 2.041 22.315 244 HA TYR 37 HA TYR 37 15.384 4.818 22.713 245 HB2 TYR 37 HB2 TYR 37 12.788 4.325 22.903 246 HB3 TYR 37 HB3 TYR 37 13.196 3.375 24.318 247 HD1 TYR 37 HD1 TYR 37 14.332 4.538 26.286 248 HD2 TYR 37 HD2 TYR 37 12.564 6.683 23.034 249 HE1 TYR 37 HE1 TYR 37 14.238 6.639 27.714 250 HE2 TYR 37 HE2 TYR 37 12.475 8.777 24.473 251 HH TYR 37 HH TYR 37 12.539 8.849 27.553 252 H VAL 38 HN VAL 38 17.470 3.713 23.104 253 HA VAL 38 HA VAL 38 17.495 2.130 25.561 254 HB VAL 38 HB VAL 38 19.551 2.588 23.391 255 HG11 VAL 38 HG11 VAL 38 19.730 1.258 26.070 256 HG12 VAL 38 HG12 VAL 38 20.602 0.535 24.697 257 HG13 VAL 38 HG13 VAL 38 20.942 2.213 25.184 258 HG21 VAL 38 HG21 VAL 38 18.130 1.097 22.401 259 HG22 VAL 38 HG22 VAL 38 19.118 -0.050 23.337 260 HG23 VAL 38 HG23 VAL 38 17.528 0.464 23.952 261 H ARG 39 HN ARG 39 18.580 2.804 27.417 262 HA ARG 39 HA ARG 39 19.964 5.331 27.220 263 HB2 ARG 39 HB2 ARG 39 17.499 5.662 27.943 264 HB3 ARG 39 HB3 ARG 39 17.907 4.806 29.417 265 HG2 ARG 39 HG2 ARG 39 19.776 6.507 29.793 266 HG3 ARG 39 HG3 ARG 39 19.163 7.405 28.418 267 HD2 ARG 39 HD2 ARG 39 17.609 8.395 29.743 268 HD3 ARG 39 HD3 ARG 39 16.911 6.831 30.115 269 HE ARG 39 HE ARG 39 19.045 6.827 31.796 270 HH11 ARG 39 HH22 ARG 39 16.655 9.359 31.141 271 HH12 ARG 39 HH21 ARG 39 16.770 10.050 32.725 272 HH22 ARG 39 HH1 ARG 39 18.270 9.081 34.323 273 H ILE 40 HN ILE 40 21.766 5.437 28.614 274 HA ILE 40 HA ILE 40 21.923 3.590 30.828 275 HB ILE 40 HB ILE 40 23.492 3.278 28.311 276 HG12 ILE 40 HG12 ILE 40 21.704 1.699 29.964 277 HG13 ILE 40 HG13 ILE 40 22.231 1.439 28.312 278 HG21 ILE 40 HG21 ILE 40 25.216 3.827 29.934 279 HG22 ILE 40 HG22 ILE 40 24.564 2.620 31.068 280 HG23 ILE 40 HG23 ILE 40 25.276 2.096 29.523 281 HD11 ILE 40 HD11 ILE 40 22.926 -0.418 29.840 282 HD12 ILE 40 HD12 ILE 40 24.322 0.393 29.090 283 HD13 ILE 40 HD13 ILE 40 23.890 0.745 30.781 284 H ARG 41 HN ARG 41 23.838 4.076 32.218 285 HA ARG 41 HA ARG 41 24.989 5.502 33.363 286 HB2 ARG 41 HB2 ARG 41 25.670 6.527 30.569 287 HB3 ARG 41 HB3 ARG 41 26.438 7.179 32.003 288 HG2 ARG 41 HG2 ARG 41 26.396 4.180 31.546 289 HG3 ARG 41 HG3 ARG 41 27.576 5.172 30.712 290 HD2 ARG 41 HD2 ARG 41 27.330 5.735 33.633 291 HD3 ARG 41 HD3 ARG 41 27.924 4.132 33.249 292 HE ARG 41 HE ARG 41 29.331 5.968 31.593 293 HH11 ARG 41 HH22 ARG 41 29.046 5.187 35.037 294 HH12 ARG 41 HH21 ARG 41 30.649 5.723 35.418 295 HH22 ARG 41 HH1 ARG 41 32.041 6.594 33.673 296 H GLY 42 HN GLY 42 24.308 7.884 30.726 297 HA2 GLY 42 HA1 GLY 42 22.161 9.149 32.160 298 HA3 GLY 42 HA2 GLY 42 23.673 10.029 32.275 299 H VAL 43 HN VAL 43 22.943 8.010 29.435 300 HA VAL 43 HA VAL 43 22.269 10.430 27.928 301 HB VAL 43 HB VAL 43 24.046 8.390 26.682 302 HG11 VAL 43 HG11 VAL 43 23.093 11.065 26.137 303 HG12 VAL 43 HG12 VAL 43 24.873 11.030 26.133 304 HG13 VAL 43 HG13 VAL 43 23.958 9.931 25.071 305 HG21 VAL 43 HG21 VAL 43 26.064 9.565 27.526 306 HG22 VAL 43 HG22 VAL 43 25.031 10.492 28.640 307 HG23 VAL 43 HG23 VAL 43 25.164 8.725 28.812 308 H LEU 44 HN LEU 44 20.451 10.158 26.732 309 HA LEU 44 HA LEU 44 19.487 7.411 26.451 310 HB2 LEU 44 HB2 LEU 44 17.793 8.491 27.475 311 HB3 LEU 44 HB3 LEU 44 18.235 10.060 26.831 312 HG LEU 44 HG LEU 44 17.267 9.412 24.635 313 HD11 LEU 44 HD11 LEU 44 17.040 7.236 24.211 314 HD12 LEU 44 HD12 LEU 44 17.116 6.805 25.936 315 HD13 LEU 44 HD13 LEU 44 15.569 7.302 25.211 316 HD21 LEU 44 HD21 LEU 44 15.914 10.727 26.096 317 HD22 LEU 44 HD22 LEU 44 14.875 9.468 25.384 318 HD23 LEU 44 HD23 LEU 44 15.457 9.301 27.058 319 H VAL 45 HN VAL 45 19.837 6.417 24.547 320 HA VAL 45 HA VAL 45 20.309 8.123 22.220 321 HB VAL 45 HB VAL 45 20.756 5.156 22.369 322 HG11 VAL 45 HG11 VAL 45 21.567 7.413 20.612 323 HG12 VAL 45 HG12 VAL 45 22.798 6.165 20.921 324 HG13 VAL 45 HG13 VAL 45 21.228 5.711 20.216 325 HG21 VAL 45 HG21 VAL 45 22.387 7.331 23.656 326 HG22 VAL 45 HG22 VAL 45 21.974 5.709 24.262 327 HG23 VAL 45 HG23 VAL 45 23.194 5.896 22.979 328 H ARG 46 HN ARG 46 18.351 8.660 21.323 329 HA ARG 46 HA ARG 46 16.439 6.496 21.071 330 HB2 ARG 46 HB2 ARG 46 15.867 9.395 20.361 331 HB3 ARG 46 HB3 ARG 46 14.737 8.161 20.881 332 HG2 ARG 46 HG2 ARG 46 15.643 8.198 23.160 333 HG3 ARG 46 HG3 ARG 46 16.947 9.262 22.675 334 HD2 ARG 46 HD2 ARG 46 14.639 10.638 21.836 335 HD3 ARG 46 HD3 ARG 46 14.155 9.925 23.361 336 HE ARG 46 HE ARG 46 16.774 11.101 23.627 337 HH11 ARG 46 HH22 ARG 46 13.357 12.002 23.372 338 HH12 ARG 46 HH21 ARG 46 13.559 13.495 24.226 339 HH22 ARG 46 HH1 ARG 46 15.733 14.103 25.030 340 H TYR 47 HN TYR 47 15.434 6.056 18.970 341 HA TYR 47 HA TYR 47 16.726 7.341 16.682 342 HB2 TYR 47 HB2 TYR 47 17.915 5.181 17.311 343 HB3 TYR 47 HB3 TYR 47 16.379 4.336 17.285 344 HD1 TYR 47 HD1 TYR 47 17.063 6.884 14.736 345 HD2 TYR 47 HD2 TYR 47 17.258 2.712 15.662 346 HE1 TYR 47 HE1 TYR 47 17.397 6.346 12.274 347 HE2 TYR 47 HE2 TYR 47 17.591 2.188 13.196 348 HH TYR 47 HH TYR 47 17.506 4.778 10.776 349 H ARG 48 HN ARG 48 15.330 7.737 15.001 350 HA ARG 48 HA ARG 48 12.931 6.178 14.855 351 HB2 ARG 48 HB2 ARG 48 11.542 8.360 14.683 352 HB3 ARG 48 HB3 ARG 48 12.053 7.880 16.289 353 HG2 ARG 48 HG2 ARG 48 14.203 9.391 15.647 354 HG3 ARG 48 HG3 ARG 48 13.041 10.154 14.580 355 HD2 ARG 48 HD2 ARG 48 11.554 10.013 16.891 356 HD3 ARG 48 HD3 ARG 48 13.163 10.162 17.568 357 HE ARG 48 HE ARG 48 13.354 12.340 16.651 358 HH11 ARG 48 HH22 ARG 48 10.396 10.768 15.495 359 HH12 ARG 48 HH21 ARG 48 9.725 12.228 14.849 360 HH22 ARG 48 HH1 ARG 48 10.961 14.273 15.039 361 H ARG 49 HN ARG 49 12.931 5.587 12.707 362 HA ARG 49 HA ARG 49 13.052 7.643 10.755 363 HB2 ARG 49 HB2 ARG 49 15.503 7.038 11.211 364 HB3 ARG 49 HB3 ARG 49 15.154 5.425 10.623 365 HG2 ARG 49 HG2 ARG 49 14.514 7.877 8.940 366 HG3 ARG 49 HG3 ARG 49 16.119 7.173 8.935 367 HD2 ARG 49 HD2 ARG 49 14.223 5.017 8.629 368 HD3 ARG 49 HD3 ARG 49 13.773 6.283 7.504 369 HE ARG 49 HE ARG 49 16.283 4.725 7.486 370 HH11 ARG 49 HH22 ARG 49 14.526 7.516 6.190 371 HH12 ARG 49 HH21 ARG 49 15.535 7.658 4.790 372 HH22 ARG 49 HH1 ARG 49 17.345 6.116 4.485 373 H CYS 50 HN CYS 50 12.292 6.858 8.635 374 HA CYS 50 HA CYS 50 11.550 4.065 8.518 375 HB2 CYS 50 HB2 CYS 50 9.478 6.253 8.252 376 HB3 CYS 50 HB3 CYS 50 9.219 4.545 7.956 377 H TRP 51 HN TRP 51 11.576 3.335 6.355 378 HA TRP 51 HA TRP 51 11.535 5.302 4.231 379 HB2 TRP 51 HB2 TRP 51 13.784 5.507 4.389 380 HB3 TRP 51 HB3 TRP 51 14.002 3.942 5.147 381 HD1 TRP 51 HD1 TRP 51 13.630 5.502 1.629 382 HE1 TRP 51 HE1 TRP 51 14.526 3.864 -0.235 383 HE3 TRP 51 HE3 TRP 51 14.390 1.545 4.731 384 HZ2 TRP 51 HZ2 TRP 51 15.431 1.158 -0.205 385 HZ3 TRP 51 HZ3 TRP 51 15.282 -0.558 3.733 386 HH2 TRP 51 HH2 TRP 51 15.799 -0.789 1.356 Start of MODEL 14 1 H1 ARG 1 HN ARG 1 10.698 -7.271 2.461 2 HA ARG 1 HA ARG 1 8.272 -6.042 1.433 3 HB2 ARG 1 HB2 ARG 1 8.590 -8.110 3.637 4 HB3 ARG 1 HB3 ARG 1 7.245 -6.988 3.691 5 HG2 ARG 1 HG2 ARG 1 7.562 -8.151 1.008 6 HG3 ARG 1 HG3 ARG 1 7.370 -9.398 2.225 7 HD2 ARG 1 HD2 ARG 1 5.511 -7.091 2.542 8 HD3 ARG 1 HD3 ARG 1 5.282 -7.998 1.060 9 HE ARG 1 HE ARG 1 5.529 -9.641 3.500 10 HH11 ARG 1 HH22 ARG 1 3.324 -8.039 1.236 11 HH12 ARG 1 HH21 ARG 1 1.962 -9.014 1.679 12 HH22 ARG 1 HH1 ARG 1 2.226 -10.706 3.356 13 H TRP 2 HN TRP 2 7.137 -4.960 3.648 14 HA TRP 2 HA TRP 2 9.235 -3.180 4.620 15 HB2 TRP 2 HB2 TRP 2 6.348 -2.713 5.174 16 HB3 TRP 2 HB3 TRP 2 7.639 -1.567 4.874 17 HD1 TRP 2 HD1 TRP 2 4.679 -1.922 3.263 18 HE1 TRP 2 HE1 TRP 2 4.654 -1.873 0.624 19 HE3 TRP 2 HE3 TRP 2 9.606 -3.032 2.673 20 HZ2 TRP 2 HZ2 TRP 2 6.653 -2.295 -1.369 21 HZ3 TRP 2 HZ3 TRP 2 10.489 -3.195 0.347 22 HH2 TRP 2 HH2 TRP 2 9.099 -2.847 -1.633 23 H CYS 3 HN CYS 3 10.010 -3.396 6.682 24 HA CYS 3 HA CYS 3 8.333 -4.913 8.546 25 HB2 CYS 3 HB2 CYS 3 11.188 -5.286 7.807 26 HB3 CYS 3 HB3 CYS 3 10.785 -5.440 9.505 27 H VAL 4 HN VAL 4 9.216 -4.429 10.927 28 HA VAL 4 HA VAL 4 10.350 -1.781 11.169 29 HB VAL 4 HB VAL 4 8.557 -0.734 12.159 30 HG11 VAL 4 HG11 VAL 4 6.589 -1.054 10.692 31 HG12 VAL 4 HG12 VAL 4 8.116 -1.009 9.778 32 HG13 VAL 4 HG13 VAL 4 7.307 -2.565 10.082 33 HG21 VAL 4 HG21 VAL 4 7.797 -2.104 13.857 34 HG22 VAL 4 HG22 VAL 4 6.415 -2.150 12.736 35 HG23 VAL 4 HG23 VAL 4 7.572 -3.502 12.780 36 H TYR 5 HN TYR 5 11.755 -1.790 12.855 37 HA TYR 5 HA TYR 5 11.349 -3.889 14.879 38 HB2 TYR 5 HB2 TYR 5 13.693 -2.789 13.283 39 HB3 TYR 5 HB3 TYR 5 14.033 -3.297 14.925 40 HD1 TYR 5 HD2 TYR 5 12.237 -5.677 15.164 41 HD2 TYR 5 HD1 TYR 5 14.767 -4.401 11.958 42 HE1 TYR 5 HE2 TYR 5 12.456 -8.082 14.369 43 HE2 TYR 5 HE1 TYR 5 14.977 -6.811 11.174 44 HH TYR 5 HH TYR 5 13.058 -9.062 11.744 45 H ALA 6 HN ALA 6 11.585 -3.325 17.049 46 HA ALA 6 HA ALA 6 12.398 -0.572 17.602 47 HB1 ALA 6 HB1 ALA 6 10.319 0.057 18.168 48 HB2 ALA 6 HB2 ALA 6 9.705 -1.523 17.626 49 HB3 ALA 6 HB3 ALA 6 10.206 -1.296 19.319 50 H TYR 7 HN TYR 7 13.443 -0.316 19.610 51 HA TYR 7 HA TYR 7 13.553 -2.635 21.362 52 HB2 TYR 7 HB2 TYR 7 15.391 -2.803 19.592 53 HB3 TYR 7 HB3 TYR 7 15.939 -1.199 20.035 54 HD1 TYR 7 HD1 TYR 7 16.506 -0.920 22.645 55 HD2 TYR 7 HD2 TYR 7 16.497 -4.628 20.510 56 HE1 TYR 7 HE1 TYR 7 18.052 -1.937 24.389 57 HE2 TYR 7 HE2 TYR 7 18.043 -5.632 22.261 58 HH TYR 7 HH TYR 7 19.723 -3.768 24.461 59 H VAL 8 HN VAL 8 12.973 -1.763 23.292 60 HA VAL 8 HA VAL 8 14.126 0.862 23.939 61 HB VAL 8 HB VAL 8 11.582 -0.363 25.014 62 HG11 VAL 8 HG11 VAL 8 11.563 1.344 26.447 63 HG12 VAL 8 HG12 VAL 8 13.161 1.847 25.848 64 HG13 VAL 8 HG13 VAL 8 11.684 2.507 25.105 65 HG21 VAL 8 HG21 VAL 8 11.146 -0.034 22.706 66 HG22 VAL 8 HG22 VAL 8 10.462 1.384 23.535 67 HG23 VAL 8 HG23 VAL 8 12.017 1.518 22.681 68 H ARG 9 HN ARG 9 15.395 1.016 25.748 69 HA ARG 9 HA ARG 9 15.205 -1.099 27.683 70 HB2 ARG 9 HB2 ARG 9 16.938 -2.130 26.465 71 HB3 ARG 9 HB3 ARG 9 17.599 -0.606 25.907 72 HG2 ARG 9 HG2 ARG 9 18.548 -0.123 28.106 73 HG3 ARG 9 HG3 ARG 9 17.706 -1.479 28.829 74 HD2 ARG 9 HD2 ARG 9 19.436 -2.852 28.307 75 HD3 ARG 9 HD3 ARG 9 19.212 -2.511 26.603 76 HE ARG 9 HE ARG 9 20.557 -0.268 27.572 77 HH11 ARG 9 HH22 ARG 9 21.205 -3.751 27.553 78 HH12 ARG 9 HH21 ARG 9 22.926 -3.556 27.538 79 HH22 ARG 9 HH1 ARG 9 23.858 -1.348 27.537 80 H ILE 10 HN ILE 10 15.098 -0.050 29.644 81 HA ILE 10 HA ILE 10 16.956 2.097 30.170 82 HB ILE 10 HB ILE 10 14.087 2.711 30.712 83 HG12 ILE 10 HG12 ILE 10 15.445 3.223 28.049 84 HG13 ILE 10 HG13 ILE 10 14.148 2.078 28.326 85 HG21 ILE 10 HG21 ILE 10 14.911 4.667 31.365 86 HG22 ILE 10 HG22 ILE 10 16.541 3.978 31.171 87 HG23 ILE 10 HG23 ILE 10 15.790 4.879 29.832 88 HD11 ILE 10 HD11 ILE 10 13.300 4.242 27.424 89 HD12 ILE 10 HD12 ILE 10 12.638 3.901 29.041 90 HD13 ILE 10 HD13 ILE 10 13.958 5.081 28.850 91 H ARG 11 HN ARG 11 17.137 2.552 32.481 92 HA ARG 11 HA ARG 11 17.275 1.954 34.551 93 HB2 ARG 11 HB2 ARG 11 14.473 1.050 33.892 94 HB3 ARG 11 HB3 ARG 11 15.143 0.525 35.424 95 HG2 ARG 11 HG2 ARG 11 14.562 2.544 36.279 96 HG3 ARG 11 HG3 ARG 11 15.828 3.255 35.298 97 HD2 ARG 11 HD2 ARG 11 14.341 3.973 33.635 98 HD3 ARG 11 HD3 ARG 11 13.193 2.687 33.949 99 HE ARG 11 HE ARG 11 13.513 4.640 36.141 100 HH11 ARG 11 HH22 ARG 11 11.653 3.696 33.277 101 HH12 ARG 11 HH21 ARG 11 10.259 4.621 33.724 102 HH22 ARG 11 HH1 ARG 11 10.293 5.886 35.760 103 H GLY 12 HN GLY 12 15.315 -0.941 33.608 104 HA2 GLY 12 HA1 GLY 12 17.634 -2.642 33.387 105 HA3 GLY 12 HA2 GLY 12 16.739 -2.864 34.877 106 H VAL 13 HN VAL 13 15.078 -1.775 31.928 107 HA VAL 13 HA VAL 13 13.946 -4.475 31.667 108 HB VAL 13 HB VAL 13 12.569 -1.792 31.442 109 HG11 VAL 13 HG11 VAL 13 11.654 -4.592 30.773 110 HG12 VAL 13 HG12 VAL 13 10.497 -3.319 31.234 111 HG13 VAL 13 HG13 VAL 13 11.530 -3.107 29.800 112 HG21 VAL 13 HG21 VAL 13 12.977 -3.620 33.648 113 HG22 VAL 13 HG22 VAL 13 12.203 -2.017 33.631 114 HG23 VAL 13 HG23 VAL 13 11.243 -3.473 33.273 115 H LEU 14 HN LEU 14 13.335 -5.106 29.489 116 HA LEU 14 HA LEU 14 14.358 -3.361 27.389 117 HB2 LEU 14 HB2 LEU 14 16.245 -4.729 27.900 118 HB3 LEU 14 HB3 LEU 14 15.270 -6.186 27.917 119 HG LEU 14 HG LEU 14 15.178 -6.340 25.622 120 HD11 LEU 14 HD11 LEU 14 14.180 -4.374 24.909 121 HD12 LEU 14 HD12 LEU 14 15.453 -3.346 25.611 122 HD13 LEU 14 HD13 LEU 14 15.785 -4.296 24.142 123 HD21 LEU 14 HD21 LEU 14 17.420 -5.909 24.711 124 HD22 LEU 14 HD22 LEU 14 17.794 -4.895 26.125 125 HD23 LEU 14 HD23 LEU 14 17.484 -6.635 26.335 126 H VAL 15 HN VAL 15 12.660 -3.034 26.064 127 HA VAL 15 HA VAL 15 10.872 -5.329 25.638 128 HB VAL 15 HB VAL 15 9.989 -2.495 25.275 129 HG11 VAL 15 HG11 VAL 15 8.785 -4.999 25.019 130 HG12 VAL 15 HG12 VAL 15 8.167 -4.370 26.565 131 HG13 VAL 15 HG13 VAL 15 7.963 -3.421 25.073 132 HG21 VAL 15 HG21 VAL 15 10.556 -2.026 27.410 133 HG22 VAL 15 HG22 VAL 15 9.125 -3.006 27.811 134 HG23 VAL 15 HG23 VAL 15 10.746 -3.741 27.848 135 H ARG 16 HN ARG 16 11.877 -6.172 23.799 136 HA ARG 16 HA ARG 16 12.514 -4.327 21.698 137 HB2 ARG 16 HB2 ARG 16 12.829 -7.357 21.961 138 HB3 ARG 16 HB3 ARG 16 13.315 -6.467 20.532 139 HG2 ARG 16 HG2 ARG 16 14.808 -5.030 22.004 140 HG3 ARG 16 HG3 ARG 16 14.394 -6.060 23.360 141 HD2 ARG 16 HD2 ARG 16 16.133 -6.650 20.986 142 HD3 ARG 16 HD3 ARG 16 16.336 -7.134 22.658 143 HE ARG 16 HE ARG 16 14.761 -8.542 20.600 144 HH11 ARG 16 HH22 ARG 16 15.474 -8.228 24.056 145 HH12 ARG 16 HH21 ARG 16 14.883 -9.808 24.449 146 HH22 ARG 16 HH1 ARG 16 14.009 -11.201 22.705 147 H TYR 17 HN TYR 17 10.707 -3.625 20.557 148 HA TYR 17 HA TYR 17 8.546 -5.500 20.071 149 HB2 TYR 17 HB2 TYR 17 8.690 -2.840 20.698 150 HB3 TYR 17 HB3 TYR 17 8.814 -2.678 18.957 151 HD1 TYR 17 HD2 TYR 17 6.643 -4.021 21.671 152 HD2 TYR 17 HD1 TYR 17 6.889 -2.797 17.579 153 HE1 TYR 17 HE2 TYR 17 4.112 -4.157 21.470 154 HE2 TYR 17 HE1 TYR 17 4.358 -2.937 17.392 155 HH TYR 17 HH TYR 17 2.378 -2.754 19.587 156 H ARG 18 HN ARG 18 7.681 -5.889 17.911 157 HA ARG 18 HA ARG 18 9.401 -5.159 15.740 158 HB2 ARG 18 HB2 ARG 18 8.723 -8.106 16.008 159 HB3 ARG 18 HB3 ARG 18 9.977 -7.361 15.036 160 HG2 ARG 18 HG2 ARG 18 11.300 -6.824 17.022 161 HG3 ARG 18 HG3 ARG 18 9.996 -7.308 18.088 162 HD2 ARG 18 HD2 ARG 18 10.172 -9.660 17.044 163 HD3 ARG 18 HD3 ARG 18 11.641 -9.116 16.260 164 HE ARG 18 HE ARG 18 11.544 -8.668 19.177 165 HH11 ARG 18 HH22 ARG 18 12.592 -10.807 16.554 166 HH12 ARG 18 HH21 ARG 18 13.780 -11.616 17.521 167 HH22 ARG 18 HH1 ARG 18 14.068 -10.969 19.811 168 H ARG 19 HN ARG 19 8.373 -5.923 13.572 169 HA ARG 19 HA ARG 19 5.839 -6.961 13.495 170 HB2 ARG 19 HB2 ARG 19 5.509 -4.553 14.614 171 HB3 ARG 19 HB3 ARG 19 5.649 -3.983 12.963 172 HG2 ARG 19 HG2 ARG 19 3.788 -6.296 13.479 173 HG3 ARG 19 HG3 ARG 19 3.279 -4.713 14.032 174 HD2 ARG 19 HD2 ARG 19 4.340 -4.413 11.360 175 HD3 ARG 19 HD3 ARG 19 3.226 -5.765 11.345 176 HE ARG 19 HE ARG 19 1.437 -4.306 11.888 177 HH11 ARG 19 HH22 ARG 19 4.529 -2.582 12.037 178 HH12 ARG 19 HH21 ARG 19 3.794 -1.016 12.111 179 HH22 ARG 19 HH1 ARG 19 1.404 -0.838 12.081 180 H CYS 20 HN CYS 20 4.947 -6.902 11.236 181 HA CYS 20 HA CYS 20 6.625 -5.620 9.272 182 HB2 CYS 20 HB2 CYS 20 6.354 -8.626 9.428 183 HB3 CYS 20 HB3 CYS 20 6.874 -7.771 7.989 184 H TRP 21 HN TRP 21 5.559 -5.842 7.047 185 HA TRP 21 HA TRP 21 2.678 -6.350 7.354 186 HB2 TRP 21 HB2 TRP 21 2.655 -4.076 7.210 187 HB3 TRP 21 HB3 TRP 21 4.129 -3.992 6.266 188 HD1 TRP 21 HD1 TRP 21 0.442 -3.749 5.837 189 HE1 TRP 21 HE1 TRP 21 -0.311 -3.695 3.308 190 HE3 TRP 21 HE3 TRP 21 4.919 -5.220 3.926 191 HZ2 TRP 21 HZ2 TRP 21 1.020 -4.260 0.848 192 HZ3 TRP 21 HZ3 TRP 21 5.107 -5.444 1.450 193 HH2 TRP 21 HH2 TRP 21 3.251 -4.991 -0.073 194 H1 ARG 31 HN ARG 31 8.897 -1.253 3.428 195 HA ARG 31 HA ARG 31 9.617 1.462 4.004 196 HB2 ARG 31 HB2 ARG 31 6.987 1.090 4.082 197 HB3 ARG 31 HB3 ARG 31 7.319 0.269 5.594 198 HG2 ARG 31 HG2 ARG 31 7.080 2.398 6.450 199 HG3 ARG 31 HG3 ARG 31 8.782 2.502 6.043 200 HD2 ARG 31 HD2 ARG 31 7.610 4.480 5.166 201 HD3 ARG 31 HD3 ARG 31 8.194 3.511 3.827 202 HE ARG 31 HE ARG 31 5.975 3.010 3.230 203 HH11 ARG 31 HH22 ARG 31 6.021 4.448 6.468 204 HH12 ARG 31 HH21 ARG 31 4.300 4.622 6.550 205 HH22 ARG 31 HH1 ARG 31 2.957 3.904 4.699 206 H TRP 32 HN TRP 32 10.797 1.634 5.998 207 HA TRP 32 HA TRP 32 11.010 -0.821 7.574 208 HB2 TRP 32 HB2 TRP 32 13.162 0.477 5.989 209 HB3 TRP 32 HB3 TRP 32 13.580 -0.053 7.607 210 HD1 TRP 32 HD1 TRP 32 12.855 -1.436 4.141 211 HE1 TRP 32 HE1 TRP 32 13.217 -4.047 4.022 212 HE3 TRP 32 HE3 TRP 32 13.337 -2.126 9.155 213 HZ2 TRP 32 HZ2 TRP 32 13.654 -6.063 5.994 214 HZ3 TRP 32 HZ3 TRP 32 13.729 -4.447 9.976 215 HH2 TRP 32 HH2 TRP 32 13.889 -6.378 8.485 216 H CYS 33 HN CYS 33 9.975 0.055 9.376 217 HA CYS 33 HA CYS 33 10.692 2.730 10.193 218 HB2 CYS 33 HB2 CYS 33 8.550 0.784 10.867 219 HB3 CYS 33 HB3 CYS 33 9.040 1.886 12.139 220 H VAL 34 HN VAL 34 11.529 3.144 12.409 221 HA VAL 34 HA VAL 34 12.597 0.863 13.826 222 HB VAL 34 HB VAL 34 14.880 1.662 13.785 223 HG11 VAL 34 HG11 VAL 34 15.486 0.937 11.602 224 HG12 VAL 34 HG12 VAL 34 13.985 0.074 12.016 225 HG13 VAL 34 HG13 VAL 34 13.934 1.470 10.913 226 HG21 VAL 34 HG21 VAL 34 14.437 4.064 13.497 227 HG22 VAL 34 HG22 VAL 34 15.608 3.469 12.295 228 HG23 VAL 34 HG23 VAL 34 13.920 3.770 11.819 229 H TYR 35 HN TYR 35 12.349 1.219 15.977 230 HA TYR 35 HA TYR 35 12.536 3.946 16.962 231 HB2 TYR 35 HB2 TYR 35 10.098 3.079 16.212 232 HB3 TYR 35 HB3 TYR 35 10.190 2.112 17.670 233 HD1 TYR 35 HD1 TYR 35 11.377 5.616 17.096 234 HD2 TYR 35 HD2 TYR 35 8.608 3.056 19.115 235 HE1 TYR 35 HE1 TYR 35 10.540 7.589 18.464 236 HE2 TYR 35 HE2 TYR 35 7.779 5.037 20.476 237 HH TYR 35 HH TYR 35 7.746 7.276 20.553 238 H ALA 36 HN ALA 36 14.156 3.656 18.436 239 HA ALA 36 HA ALA 36 13.721 1.524 20.404 240 HB1 ALA 36 HB1 ALA 36 16.280 1.334 20.419 241 HB2 ALA 36 HB2 ALA 36 15.441 0.651 19.006 242 HB3 ALA 36 HB3 ALA 36 16.249 2.232 18.882 243 H TYR 37 HN TYR 37 14.813 1.994 22.512 244 HA TYR 37 HA TYR 37 15.577 4.767 22.894 245 HB2 TYR 37 HB2 TYR 37 12.964 4.249 23.124 246 HB3 TYR 37 HB3 TYR 37 13.417 3.397 24.586 247 HD1 TYR 37 HD1 TYR 37 15.070 4.871 26.177 248 HD2 TYR 37 HD2 TYR 37 12.235 6.432 23.378 249 HE1 TYR 37 HE1 TYR 37 14.987 7.059 27.470 250 HE2 TYR 37 HE2 TYR 37 12.161 8.614 24.681 251 HH TYR 37 HH TYR 37 13.408 8.898 27.792 252 H VAL 38 HN VAL 38 17.642 3.568 23.236 253 HA VAL 38 HA VAL 38 17.663 2.101 25.771 254 HB VAL 38 HB VAL 38 19.661 2.255 23.505 255 HG11 VAL 38 HG11 VAL 38 20.896 1.931 25.529 256 HG12 VAL 38 HG12 VAL 38 19.727 0.728 26.124 257 HG13 VAL 38 HG13 VAL 38 20.766 0.345 24.731 258 HG21 VAL 38 HG21 VAL 38 18.956 -0.336 23.607 259 HG22 VAL 38 HG22 VAL 38 17.439 0.392 24.189 260 HG23 VAL 38 HG23 VAL 38 18.101 0.860 22.605 261 H ARG 39 HN ARG 39 18.826 2.839 27.537 262 HA ARG 39 HA ARG 39 20.385 5.240 27.092 263 HB2 ARG 39 HB2 ARG 39 17.942 5.630 28.025 264 HB3 ARG 39 HB3 ARG 39 18.581 4.998 29.529 265 HG2 ARG 39 HG2 ARG 39 20.438 6.741 29.389 266 HG3 ARG 39 HG3 ARG 39 19.625 7.424 27.995 267 HD2 ARG 39 HD2 ARG 39 18.249 8.602 29.361 268 HD3 ARG 39 HD3 ARG 39 17.635 7.111 30.046 269 HE ARG 39 HE ARG 39 19.984 7.356 31.399 270 HH11 ARG 39 HH22 ARG 39 17.446 9.739 30.741 271 HH12 ARG 39 HH21 ARG 39 17.751 10.646 32.185 272 HH22 ARG 39 HH1 ARG 39 19.485 9.931 33.677 273 H ILE 40 HN ILE 40 22.286 5.318 28.353 274 HA ILE 40 HA ILE 40 22.511 3.578 30.644 275 HB ILE 40 HB ILE 40 23.859 3.038 28.040 276 HG12 ILE 40 HG12 ILE 40 22.127 1.659 29.918 277 HG13 ILE 40 HG13 ILE 40 22.501 1.281 28.248 278 HG21 ILE 40 HG21 ILE 40 25.668 1.824 29.177 279 HG22 ILE 40 HG22 ILE 40 25.733 3.574 29.496 280 HG23 ILE 40 HG23 ILE 40 25.109 2.466 30.741 281 HD11 ILE 40 HD11 ILE 40 24.315 0.622 30.615 282 HD12 ILE 40 HD12 ILE 40 23.217 -0.530 29.818 283 HD13 ILE 40 HD13 ILE 40 24.590 0.158 28.918 284 H ARG 41 HN ARG 41 24.482 4.059 31.908 285 HA ARG 41 HA ARG 41 25.753 5.499 32.902 286 HB2 ARG 41 HB2 ARG 41 26.461 6.158 30.007 287 HB3 ARG 41 HB3 ARG 41 27.307 6.901 31.350 288 HG2 ARG 41 HG2 ARG 41 27.018 3.879 31.166 289 HG3 ARG 41 HG3 ARG 41 28.302 4.713 30.314 290 HD2 ARG 41 HD2 ARG 41 27.936 5.403 33.221 291 HD3 ARG 41 HD3 ARG 41 28.585 3.815 32.861 292 HE ARG 41 HE ARG 41 29.917 5.900 31.323 293 HH11 ARG 41 HH22 ARG 41 29.844 4.311 34.490 294 HH12 ARG 41 HH21 ARG 41 31.487 4.708 34.865 295 HH22 ARG 41 HH1 ARG 41 32.787 5.951 33.280 296 H GLY 42 HN GLY 42 25.234 7.657 30.046 297 HA2 GLY 42 HA1 GLY 42 23.249 9.254 31.395 298 HA3 GLY 42 HA2 GLY 42 24.834 10.000 31.347 299 H VAL 43 HN VAL 43 23.814 7.745 28.791 300 HA VAL 43 HA VAL 43 23.319 10.040 27.032 301 HB VAL 43 HB VAL 43 24.734 7.639 25.978 302 HG11 VAL 43 HG11 VAL 43 24.700 8.976 24.189 303 HG12 VAL 43 HG12 VAL 43 24.130 10.358 25.155 304 HG13 VAL 43 HG13 VAL 43 25.873 10.019 25.027 305 HG21 VAL 43 HG21 VAL 43 26.906 9.048 26.546 306 HG22 VAL 43 HG22 VAL 43 25.910 9.600 27.914 307 HG23 VAL 43 HG23 VAL 43 26.242 7.865 27.698 308 H LEU 44 HN LEU 44 21.453 9.866 25.879 309 HA LEU 44 HA LEU 44 20.080 7.290 26.058 310 HB2 LEU 44 HB2 LEU 44 18.601 8.758 26.914 311 HB3 LEU 44 HB3 LEU 44 19.256 10.124 26.033 312 HG LEU 44 HG LEU 44 18.121 9.333 23.977 313 HD11 LEU 44 HD11 LEU 44 17.093 7.360 23.765 314 HD12 LEU 44 HD12 LEU 44 17.982 6.894 25.235 315 HD13 LEU 44 HD13 LEU 44 16.308 7.488 25.358 316 HD21 LEU 44 HD21 LEU 44 15.997 10.166 24.529 317 HD22 LEU 44 HD22 LEU 44 16.097 9.566 26.202 318 HD23 LEU 44 HD23 LEU 44 17.108 10.937 25.686 319 H VAL 45 HN VAL 45 20.466 5.973 24.356 320 HA VAL 45 HA VAL 45 20.934 7.222 21.761 321 HB VAL 45 HB VAL 45 21.163 4.293 22.370 322 HG11 VAL 45 HG11 VAL 45 23.253 5.525 20.766 323 HG12 VAL 45 HG12 VAL 45 22.143 4.193 20.364 324 HG13 VAL 45 HG13 VAL 45 21.635 5.880 20.113 325 HG21 VAL 45 HG21 VAL 45 23.024 6.491 23.269 326 HG22 VAL 45 HG22 VAL 45 22.421 5.083 24.175 327 HG23 VAL 45 HG23 VAL 45 23.637 4.862 22.894 328 H ARG 46 HN ARG 46 18.766 7.883 21.290 329 HA ARG 46 HA ARG 46 16.982 5.614 20.907 330 HB2 ARG 46 HB2 ARG 46 15.699 6.941 22.312 331 HB3 ARG 46 HB3 ARG 46 16.547 8.411 21.874 332 HG2 ARG 46 HG2 ARG 46 15.333 8.519 19.721 333 HG3 ARG 46 HG3 ARG 46 14.556 6.983 20.049 334 HD2 ARG 46 HD2 ARG 46 14.214 9.006 22.211 335 HD3 ARG 46 HD3 ARG 46 13.484 9.458 20.683 336 HE ARG 46 HE ARG 46 12.917 6.701 21.583 337 HH11 ARG 46 HH22 ARG 46 11.802 10.062 21.468 338 HH12 ARG 46 HH21 ARG 46 10.146 9.653 21.769 339 HH22 ARG 46 HH1 ARG 46 9.540 7.354 22.067 340 H TYR 47 HN TYR 47 15.712 5.569 18.900 341 HA TYR 47 HA TYR 47 16.543 7.503 16.869 342 HB2 TYR 47 HB2 TYR 47 17.760 5.067 17.098 343 HB3 TYR 47 HB3 TYR 47 16.304 4.520 16.290 344 HD1 TYR 47 HD2 TYR 47 18.184 7.705 15.739 345 HD2 TYR 47 HD1 TYR 47 17.061 3.893 14.157 346 HE1 TYR 47 HE2 TYR 47 19.189 8.335 13.491 347 HE2 TYR 47 HE1 TYR 47 18.070 4.535 11.913 348 HH TYR 47 HH TYR 47 19.615 5.994 10.988 349 H ARG 48 HN ARG 48 14.980 7.903 15.263 350 HA ARG 48 HA ARG 48 12.640 6.248 15.284 351 HB2 ARG 48 HB2 ARG 48 11.708 7.713 16.845 352 HB3 ARG 48 HB3 ARG 48 12.722 9.055 16.356 353 HG2 ARG 48 HG2 ARG 48 10.785 8.103 14.286 354 HG3 ARG 48 HG3 ARG 48 10.061 8.825 15.710 355 HD2 ARG 48 HD2 ARG 48 12.392 10.335 14.622 356 HD3 ARG 48 HD3 ARG 48 11.016 10.253 13.539 357 HE ARG 48 HE ARG 48 11.181 11.862 15.891 358 HH11 ARG 48 HH22 ARG 48 8.869 9.731 14.259 359 HH12 ARG 48 HH21 ARG 48 7.479 10.544 14.897 360 HH22 ARG 48 HH1 ARG 48 7.785 12.426 16.349 361 H ARG 49 HN ARG 49 12.232 5.878 13.128 362 HA ARG 49 HA ARG 49 11.820 7.909 11.333 363 HB2 ARG 49 HB2 ARG 49 14.431 7.978 11.617 364 HB3 ARG 49 HB3 ARG 49 14.438 6.489 10.695 365 HG2 ARG 49 HG2 ARG 49 14.707 8.708 9.374 366 HG3 ARG 49 HG3 ARG 49 13.571 7.531 8.745 367 HD2 ARG 49 HD2 ARG 49 12.705 9.938 8.835 368 HD3 ARG 49 HD3 ARG 49 11.670 8.747 9.598 369 HE ARG 49 HE ARG 49 13.262 9.565 11.693 370 HH11 ARG 49 HH22 ARG 49 11.319 11.344 9.322 371 HH12 ARG 49 HH21 ARG 49 11.001 12.668 10.392 372 HH22 ARG 49 HH1 ARG 49 11.907 12.629 12.611 373 H CYS 50 HN CYS 50 11.735 6.937 8.953 374 HA CYS 50 HA CYS 50 11.493 4.054 8.978 375 HB2 CYS 50 HB2 CYS 50 9.151 5.794 8.183 376 HB3 CYS 50 HB3 CYS 50 9.234 4.046 8.097 377 H TRP 51 HN TRP 51 11.973 3.207 6.913 378 HA TRP 51 HA TRP 51 12.737 5.220 4.933 379 HB2 TRP 51 HB2 TRP 51 14.571 3.884 5.377 380 HB3 TRP 51 HB3 TRP 51 13.616 2.423 5.543 381 HD1 TRP 51 HD1 TRP 51 15.644 4.299 2.998 382 HE1 TRP 51 HE1 TRP 51 15.589 3.166 0.615 383 HE3 TRP 51 HE3 TRP 51 11.829 1.099 4.029 384 HZ2 TRP 51 HZ2 TRP 51 13.992 1.105 -0.545 385 HZ3 TRP 51 HZ3 TRP 51 11.083 -0.440 2.216 386 HH2 TRP 51 HH2 TRP 51 12.099 -0.472 -0.007 Start of MODEL 15 1 H1 ARG 1 HN ARG 1 6.029 -4.268 0.186 2 HA ARG 1 HA ARG 1 5.196 -5.535 2.670 3 HB2 ARG 1 HB2 ARG 1 7.391 -6.099 0.693 4 HB3 ARG 1 HB3 ARG 1 7.779 -6.373 2.379 5 HG2 ARG 1 HG2 ARG 1 5.156 -7.473 1.899 6 HG3 ARG 1 HG3 ARG 1 6.207 -8.029 0.612 7 HD2 ARG 1 HD2 ARG 1 7.906 -8.500 2.630 8 HD3 ARG 1 HD3 ARG 1 6.440 -8.507 3.589 9 HE ARG 1 HE ARG 1 5.739 -10.493 2.511 10 HH11 ARG 1 HH22 ARG 1 8.614 -9.184 0.905 11 HH12 ARG 1 HH21 ARG 1 8.891 -10.613 -0.034 12 HH22 ARG 1 HH1 ARG 1 7.404 -12.477 0.197 13 H TRP 2 HN TRP 2 5.748 -4.470 4.553 14 HA TRP 2 HA TRP 2 8.165 -2.856 4.575 15 HB2 TRP 2 HB2 TRP 2 6.883 -0.973 5.657 16 HB3 TRP 2 HB3 TRP 2 6.712 -1.154 3.922 17 HD1 TRP 2 HD1 TRP 2 4.286 -2.433 3.137 18 HE1 TRP 2 HE1 TRP 2 1.841 -2.244 4.111 19 HE3 TRP 2 HE3 TRP 2 5.671 -0.617 7.680 20 HZ2 TRP 2 HZ2 TRP 2 0.784 -1.376 6.615 21 HZ3 TRP 2 HZ3 TRP 2 3.871 -0.125 9.332 22 HH2 TRP 2 HH2 TRP 2 1.498 -0.476 8.860 23 H CYS 3 HN CYS 3 9.133 -2.907 6.624 24 HA CYS 3 HA CYS 3 7.544 -4.185 8.724 25 HB2 CYS 3 HB2 CYS 3 10.181 -4.990 7.614 26 HB3 CYS 3 HB3 CYS 3 10.002 -5.065 9.355 27 H VAL 4 HN VAL 4 8.488 -3.675 10.957 28 HA VAL 4 HA VAL 4 10.224 -1.357 11.019 29 HB VAL 4 HB VAL 4 8.742 0.092 12.070 30 HG11 VAL 4 HG11 VAL 4 8.315 -0.179 9.634 31 HG12 VAL 4 HG12 VAL 4 7.019 -1.338 10.018 32 HG13 VAL 4 HG13 VAL 4 6.879 0.358 10.539 33 HG21 VAL 4 HG21 VAL 4 7.630 -1.044 13.736 34 HG22 VAL 4 HG22 VAL 4 6.305 -0.800 12.573 35 HG23 VAL 4 HG23 VAL 4 7.137 -2.372 12.658 36 H TYR 5 HN TYR 5 11.741 -1.838 12.513 37 HA TYR 5 HA TYR 5 11.011 -3.757 14.597 38 HB2 TYR 5 HB2 TYR 5 13.522 -2.671 13.229 39 HB3 TYR 5 HB3 TYR 5 13.690 -3.445 14.792 40 HD1 TYR 5 HD1 TYR 5 11.681 -5.650 14.544 41 HD2 TYR 5 HD2 TYR 5 14.561 -4.169 11.750 42 HE1 TYR 5 HE1 TYR 5 11.756 -7.922 13.406 43 HE2 TYR 5 HE2 TYR 5 14.627 -6.446 10.621 44 HH TYR 5 HH TYR 5 12.851 -8.418 10.445 45 H ALA 6 HN ALA 6 11.881 -3.392 16.818 46 HA ALA 6 HA ALA 6 12.506 -0.643 17.468 47 HB1 ALA 6 HB1 ALA 6 9.828 -1.659 17.634 48 HB2 ALA 6 HB2 ALA 6 10.445 -1.443 19.289 49 HB3 ALA 6 HB3 ALA 6 10.447 -0.073 18.153 50 H TYR 7 HN TYR 7 13.567 -0.461 19.509 51 HA TYR 7 HA TYR 7 13.850 -2.888 21.075 52 HB2 TYR 7 HB2 TYR 7 15.612 -2.919 19.242 53 HB3 TYR 7 HB3 TYR 7 16.114 -1.304 19.704 54 HD1 TYR 7 HD1 TYR 7 17.199 -0.946 21.963 55 HD2 TYR 7 HD2 TYR 7 16.451 -4.845 20.369 56 HE1 TYR 7 HE1 TYR 7 18.878 -1.942 23.593 57 HE2 TYR 7 HE2 TYR 7 18.131 -5.828 22.004 58 HH TYR 7 HH TYR 7 20.229 -3.820 23.857 59 H VAL 8 HN VAL 8 13.114 -2.017 22.982 60 HA VAL 8 HA VAL 8 14.237 0.575 23.760 61 HB VAL 8 HB VAL 8 11.802 -0.969 24.663 62 HG11 VAL 8 HG11 VAL 8 12.055 0.066 26.639 63 HG12 VAL 8 HG12 VAL 8 13.321 1.148 26.012 64 HG13 VAL 8 HG13 VAL 8 11.604 1.555 25.775 65 HG21 VAL 8 HG21 VAL 8 12.193 0.792 22.517 66 HG22 VAL 8 HG22 VAL 8 10.640 0.250 23.195 67 HG23 VAL 8 HG23 VAL 8 11.382 1.763 23.769 68 H ARG 9 HN ARG 9 15.323 0.827 25.754 69 HA ARG 9 HA ARG 9 15.605 -1.486 27.403 70 HB2 ARG 9 HB2 ARG 9 17.445 -2.117 26.090 71 HB3 ARG 9 HB3 ARG 9 17.813 -0.470 25.619 72 HG2 ARG 9 HG2 ARG 9 18.937 0.008 27.650 73 HG3 ARG 9 HG3 ARG 9 18.127 -1.279 28.521 74 HD2 ARG 9 HD2 ARG 9 19.723 -2.804 27.947 75 HD3 ARG 9 HD3 ARG 9 19.653 -2.354 26.254 76 HE ARG 9 HE ARG 9 21.405 -0.783 26.593 77 HH11 ARG 9 HH22 ARG 9 20.389 -2.212 29.673 78 HH12 ARG 9 HH21 ARG 9 21.766 -1.621 30.543 79 HH22 ARG 9 HH1 ARG 9 23.417 -0.325 29.387 80 H ILE 10 HN ILE 10 15.205 -0.564 29.393 81 HA ILE 10 HA ILE 10 16.760 1.793 30.103 82 HB ILE 10 HB ILE 10 13.869 1.775 30.834 83 HG12 ILE 10 HG12 ILE 10 14.964 2.557 28.124 84 HG13 ILE 10 HG13 ILE 10 13.688 1.409 28.478 85 HG21 ILE 10 HG21 ILE 10 16.071 3.473 31.253 86 HG22 ILE 10 HG22 ILE 10 15.021 4.310 30.085 87 HG23 ILE 10 HG23 ILE 10 14.363 3.777 31.651 88 HD11 ILE 10 HD11 ILE 10 12.701 3.659 29.724 89 HD12 ILE 10 HD12 ILE 10 13.583 4.377 28.354 90 HD13 ILE 10 HD13 ILE 10 12.300 3.179 28.058 91 H ARG 11 HN ARG 11 17.155 1.974 32.375 92 HA ARG 11 HA ARG 11 17.567 1.208 34.351 93 HB2 ARG 11 HB2 ARG 11 14.943 -0.323 33.981 94 HB3 ARG 11 HB3 ARG 11 15.788 -0.208 35.512 95 HG2 ARG 11 HG2 ARG 11 14.213 1.869 34.053 96 HG3 ARG 11 HG3 ARG 11 14.387 1.610 35.778 97 HD2 ARG 11 HD2 ARG 11 16.757 2.525 35.616 98 HD3 ARG 11 HD3 ARG 11 16.453 2.902 33.932 99 HE ARG 11 HE ARG 11 14.349 4.019 35.540 100 HH11 ARG 11 HH22 ARG 11 17.775 4.520 34.786 101 HH12 ARG 11 HH21 ARG 11 17.728 6.219 35.119 102 HH22 ARG 11 HH1 ARG 11 15.667 7.221 35.820 103 H GLY 12 HN GLY 12 15.841 -1.783 33.246 104 HA2 GLY 12 HA1 GLY 12 18.268 -3.188 32.631 105 HA3 GLY 12 HA2 GLY 12 17.611 -3.632 34.194 106 H VAL 13 HN VAL 13 15.489 -2.516 31.559 107 HA VAL 13 HA VAL 13 14.609 -5.298 31.204 108 HB VAL 13 HB VAL 13 12.885 -2.815 31.255 109 HG11 VAL 13 HG11 VAL 13 12.438 -5.578 30.404 110 HG12 VAL 13 HG12 VAL 13 11.281 -5.046 31.648 111 HG13 VAL 13 HG13 VAL 13 11.450 -4.123 30.136 112 HG21 VAL 13 HG21 VAL 13 13.598 -4.814 33.384 113 HG22 VAL 13 HG22 VAL 13 13.427 -3.046 33.494 114 HG23 VAL 13 HG23 VAL 13 11.979 -4.074 33.374 115 H LEU 14 HN LEU 14 14.795 -6.010 29.145 116 HA LEU 14 HA LEU 14 15.186 -3.966 27.088 117 HB2 LEU 14 HB2 LEU 14 17.018 -5.512 27.381 118 HB3 LEU 14 HB3 LEU 14 15.945 -6.886 27.205 119 HG LEU 14 HG LEU 14 15.836 -6.713 24.931 120 HD11 LEU 14 HD11 LEU 14 16.361 -4.490 23.725 121 HD12 LEU 14 HD12 LEU 14 14.808 -4.656 24.578 122 HD13 LEU 14 HD13 LEU 14 16.141 -3.744 25.326 123 HD21 LEU 14 HD21 LEU 14 18.174 -7.084 25.526 124 HD22 LEU 14 HD22 LEU 14 18.037 -6.168 24.006 125 HD23 LEU 14 HD23 LEU 14 18.469 -5.328 25.515 126 H VAL 15 HN VAL 15 13.408 -3.433 25.946 127 HA VAL 15 HA VAL 15 11.429 -5.564 25.527 128 HB VAL 15 HB VAL 15 10.894 -2.609 25.356 129 HG11 VAL 15 HG11 VAL 15 8.756 -3.203 25.050 130 HG12 VAL 15 HG12 VAL 15 9.365 -4.852 24.768 131 HG13 VAL 15 HG13 VAL 15 8.805 -4.375 26.389 132 HG21 VAL 15 HG21 VAL 15 11.328 -2.399 27.543 133 HG22 VAL 15 HG22 VAL 15 9.897 -3.421 27.821 134 HG23 VAL 15 HG23 VAL 15 11.517 -4.156 27.756 135 H ARG 16 HN ARG 16 12.331 -6.451 23.634 136 HA ARG 16 HA ARG 16 12.896 -4.603 21.505 137 HB2 ARG 16 HB2 ARG 16 13.143 -7.653 21.621 138 HB3 ARG 16 HB3 ARG 16 13.720 -6.651 20.304 139 HG2 ARG 16 HG2 ARG 16 15.191 -5.415 21.978 140 HG3 ARG 16 HG3 ARG 16 14.695 -6.573 23.197 141 HD2 ARG 16 HD2 ARG 16 16.824 -7.319 22.265 142 HD3 ARG 16 HD3 ARG 16 15.581 -8.440 21.745 143 HE ARG 16 HE ARG 16 15.590 -6.658 19.671 144 HH11 ARG 16 HH22 ARG 16 18.238 -8.341 21.318 145 HH12 ARG 16 HH21 ARG 16 19.258 -8.367 19.918 146 HH22 ARG 16 HH1 ARG 16 18.471 -7.393 17.874 147 H TYR 17 HN TYR 17 11.272 -4.020 20.099 148 HA TYR 17 HA TYR 17 9.029 -5.893 19.798 149 HB2 TYR 17 HB2 TYR 17 9.082 -3.276 20.602 150 HB3 TYR 17 HB3 TYR 17 9.117 -2.992 18.874 151 HD1 TYR 17 HD1 TYR 17 7.202 -3.719 17.444 152 HD2 TYR 17 HD2 TYR 17 7.074 -4.011 21.710 153 HE1 TYR 17 HE1 TYR 17 4.673 -3.967 17.358 154 HE2 TYR 17 HE2 TYR 17 4.545 -4.258 21.610 155 HH TYR 17 HH TYR 17 2.791 -4.286 20.358 156 H ARG 18 HN ARG 18 8.080 -6.160 17.649 157 HA ARG 18 HA ARG 18 9.668 -5.205 15.468 158 HB2 ARG 18 HB2 ARG 18 9.627 -7.714 14.561 159 HB3 ARG 18 HB3 ARG 18 10.918 -7.180 15.620 160 HG2 ARG 18 HG2 ARG 18 10.272 -8.592 17.286 161 HG3 ARG 18 HG3 ARG 18 8.597 -8.091 17.170 162 HD2 ARG 18 HD2 ARG 18 9.719 -9.871 14.996 163 HD3 ARG 18 HD3 ARG 18 9.331 -10.590 16.547 164 HE ARG 18 HE ARG 18 7.095 -9.019 15.850 165 HH11 ARG 18 HH22 ARG 18 8.800 -11.821 14.511 166 HH12 ARG 18 HH21 ARG 18 7.388 -12.473 13.750 167 HH22 ARG 18 HH1 ARG 18 5.300 -11.314 13.960 168 H ARG 19 HN ARG 19 7.793 -4.109 14.713 169 HA ARG 19 HA ARG 19 5.455 -5.767 14.309 170 HB2 ARG 19 HB2 ARG 19 5.542 -3.323 15.403 171 HB3 ARG 19 HB3 ARG 19 5.526 -2.792 13.733 172 HG2 ARG 19 HG2 ARG 19 3.514 -4.895 14.429 173 HG3 ARG 19 HG3 ARG 19 3.262 -3.335 15.186 174 HD2 ARG 19 HD2 ARG 19 3.540 -2.293 12.836 175 HD3 ARG 19 HD3 ARG 19 3.458 -3.923 12.199 176 HE ARG 19 HE ARG 19 1.228 -3.831 13.799 177 HH11 ARG 19 HH22 ARG 19 2.433 -1.649 11.281 178 HH12 ARG 19 HH21 ARG 19 0.854 -1.107 10.821 179 HH22 ARG 19 HH1 ARG 19 -1.066 -1.983 11.958 180 H CYS 20 HN CYS 20 4.334 -5.709 12.181 181 HA CYS 20 HA CYS 20 5.837 -4.586 9.990 182 HB2 CYS 20 HB2 CYS 20 5.421 -7.560 10.302 183 HB3 CYS 20 HB3 CYS 20 5.737 -6.800 8.755 184 H TRP 21 HN TRP 21 4.472 -5.302 7.843 185 HA TRP 21 HA TRP 21 1.751 -4.549 8.477 186 HB2 TRP 21 HB2 TRP 21 1.652 -3.696 6.411 187 HB3 TRP 21 HB3 TRP 21 3.400 -3.738 6.536 188 HD1 TRP 21 HD1 TRP 21 1.490 -4.135 3.786 189 HE1 TRP 21 HE1 TRP 21 2.008 -6.130 2.139 190 HE3 TRP 21 HE3 TRP 21 4.085 -6.929 7.150 191 HZ2 TRP 21 HZ2 TRP 21 3.414 -8.598 2.421 192 HZ3 TRP 21 HZ3 TRP 21 4.997 -9.118 6.383 193 HH2 TRP 21 HH2 TRP 21 4.697 -9.963 4.109 194 H1 ARG 31 HN ARG 31 8.369 -0.968 2.924 195 HA ARG 31 HA ARG 31 9.390 1.679 3.340 196 HB2 ARG 31 HB2 ARG 31 6.582 0.835 4.003 197 HB3 ARG 31 HB3 ARG 31 7.415 1.768 5.230 198 HG2 ARG 31 HG2 ARG 31 6.177 3.268 3.707 199 HG3 ARG 31 HG3 ARG 31 7.900 3.559 3.577 200 HD2 ARG 31 HD2 ARG 31 6.921 3.477 1.324 201 HD3 ARG 31 HD3 ARG 31 7.990 2.105 1.536 202 HE ARG 31 HE ARG 31 5.179 1.576 2.238 203 HH11 ARG 31 HH22 ARG 31 7.632 1.471 -0.316 204 HH12 ARG 31 HH21 ARG 31 6.778 0.295 -1.259 205 HH22 ARG 31 HH1 ARG 31 4.676 -0.541 -0.469 206 H TRP 32 HN TRP 32 10.473 1.874 5.392 207 HA TRP 32 HA TRP 32 10.321 -0.466 7.141 208 HB2 TRP 32 HB2 TRP 32 12.686 0.465 5.604 209 HB3 TRP 32 HB3 TRP 32 12.956 0.016 7.276 210 HD1 TRP 32 HD1 TRP 32 12.258 -1.536 3.876 211 HE1 TRP 32 HE1 TRP 32 12.326 -4.173 3.959 212 HE3 TRP 32 HE3 TRP 32 12.401 -1.897 8.946 213 HZ2 TRP 32 HZ2 TRP 32 12.431 -6.070 6.087 214 HZ3 TRP 32 HZ3 TRP 32 12.485 -4.179 9.946 215 HH2 TRP 32 HH2 TRP 32 12.501 -6.221 8.603 216 H CYS 33 HN CYS 33 10.951 0.058 9.360 217 HA CYS 33 HA CYS 33 11.504 2.841 9.898 218 HB2 CYS 33 HB2 CYS 33 8.889 1.548 10.462 219 HB3 CYS 33 HB3 CYS 33 9.571 2.533 11.741 220 H VAL 34 HN VAL 34 12.190 3.107 12.218 221 HA VAL 34 HA VAL 34 12.593 0.659 13.698 222 HB VAL 34 HB VAL 34 14.982 0.887 13.847 223 HG11 VAL 34 HG11 VAL 34 13.932 -0.411 11.949 224 HG12 VAL 34 HG12 VAL 34 14.254 0.993 10.905 225 HG13 VAL 34 HG13 VAL 34 15.606 0.124 11.670 226 HG21 VAL 34 HG21 VAL 34 14.543 3.372 12.195 227 HG22 VAL 34 HG22 VAL 34 15.471 3.166 13.700 228 HG23 VAL 34 HG23 VAL 34 16.105 2.518 12.168 229 H TYR 35 HN TYR 35 12.106 1.112 15.780 230 HA TYR 35 HA TYR 35 12.707 3.825 16.731 231 HB2 TYR 35 HB2 TYR 35 10.198 2.959 16.048 232 HB3 TYR 35 HB3 TYR 35 10.282 2.223 17.636 233 HD1 TYR 35 HD2 TYR 35 11.642 5.529 16.532 234 HD2 TYR 35 HD1 TYR 35 8.758 3.460 18.921 235 HE1 TYR 35 HE2 TYR 35 10.933 7.728 17.595 236 HE2 TYR 35 HE1 TYR 35 8.060 5.665 19.975 237 HH TYR 35 HH TYR 35 8.257 8.288 18.958 238 H ALA 36 HN ALA 36 14.218 3.597 18.305 239 HA ALA 36 HA ALA 36 13.773 1.428 20.234 240 HB1 ALA 36 HB1 ALA 36 16.336 1.354 20.360 241 HB2 ALA 36 HB2 ALA 36 15.591 0.659 18.900 242 HB3 ALA 36 HB3 ALA 36 16.331 2.277 18.838 243 H TYR 37 HN TYR 37 14.468 1.923 22.419 244 HA TYR 37 HA TYR 37 15.136 4.736 22.871 245 HB2 TYR 37 HB2 TYR 37 12.585 4.064 23.018 246 HB3 TYR 37 HB3 TYR 37 13.037 3.095 24.406 247 HD1 TYR 37 HD1 TYR 37 14.087 4.269 26.423 248 HD2 TYR 37 HD2 TYR 37 12.175 6.387 23.236 249 HE1 TYR 37 HE1 TYR 37 13.831 6.307 27.922 250 HE2 TYR 37 HE2 TYR 37 11.924 8.418 24.745 251 HH TYR 37 HH TYR 37 12.579 8.233 28.137 252 H VAL 38 HN VAL 38 17.294 3.847 23.301 253 HA VAL 38 HA VAL 38 17.398 2.245 25.754 254 HB VAL 38 HB VAL 38 19.440 2.751 23.581 255 HG11 VAL 38 HG11 VAL 38 20.578 2.504 25.709 256 HG12 VAL 38 HG12 VAL 38 19.624 1.051 26.090 257 HG13 VAL 38 HG13 VAL 38 20.793 1.021 24.748 258 HG21 VAL 38 HG21 VAL 38 19.018 0.051 23.662 259 HG22 VAL 38 HG22 VAL 38 17.392 0.672 24.034 260 HG23 VAL 38 HG23 VAL 38 18.214 1.172 22.537 261 H ARG 39 HN ARG 39 18.635 2.947 27.546 262 HA ARG 39 HA ARG 39 19.640 5.659 27.296 263 HB2 ARG 39 HB2 ARG 39 17.292 5.341 28.495 264 HB3 ARG 39 HB3 ARG 39 18.248 4.741 29.835 265 HG2 ARG 39 HG2 ARG 39 19.534 6.850 29.920 266 HG3 ARG 39 HG3 ARG 39 18.708 7.447 28.495 267 HD2 ARG 39 HD2 ARG 39 17.222 8.397 29.944 268 HD3 ARG 39 HD3 ARG 39 16.570 6.784 30.150 269 HE ARG 39 HE ARG 39 17.590 6.647 32.267 270 HH11 ARG 39 HH22 ARG 39 18.892 9.435 30.510 271 HH12 ARG 39 HH21 ARG 39 19.724 10.073 31.889 272 HH22 ARG 39 HH1 ARG 39 19.590 8.911 33.981 273 H ILE 40 HN ILE 40 21.592 6.040 28.435 274 HA ILE 40 HA ILE 40 22.479 3.974 30.284 275 HB ILE 40 HB ILE 40 23.982 4.800 27.800 276 HG12 ILE 40 HG12 ILE 40 22.400 2.426 28.587 277 HG13 ILE 40 HG13 ILE 40 22.718 3.099 27.001 278 HG21 ILE 40 HG21 ILE 40 25.428 4.698 29.835 279 HG22 ILE 40 HG22 ILE 40 24.955 2.993 30.026 280 HG23 ILE 40 HG23 ILE 40 25.846 3.513 28.575 281 HD11 ILE 40 HD11 ILE 40 25.120 2.239 27.220 282 HD12 ILE 40 HD12 ILE 40 24.584 1.371 28.678 283 HD13 ILE 40 HD13 ILE 40 23.868 0.981 27.096 284 H ARG 41 HN ARG 41 24.099 4.725 31.779 285 HA ARG 41 HA ARG 41 24.836 6.205 33.179 286 HB2 ARG 41 HB2 ARG 41 25.551 7.543 30.537 287 HB3 ARG 41 HB3 ARG 41 26.038 8.253 32.063 288 HG2 ARG 41 HG2 ARG 41 26.696 5.393 31.212 289 HG3 ARG 41 HG3 ARG 41 27.793 6.749 31.041 290 HD2 ARG 41 HD2 ARG 41 26.720 6.603 33.773 291 HD3 ARG 41 HD3 ARG 41 27.489 5.095 33.319 292 HE ARG 41 HE ARG 41 29.319 6.971 32.463 293 HH11 ARG 41 HH22 ARG 41 27.682 6.453 35.563 294 HH12 ARG 41 HH21 ARG 41 28.980 7.116 36.500 295 HH22 ARG 41 HH1 ARG 41 30.939 7.927 35.383 296 H GLY 42 HN GLY 42 24.082 8.796 30.799 297 HA2 GLY 42 HA1 GLY 42 21.644 9.541 32.205 298 HA3 GLY 42 HA2 GLY 42 22.992 10.649 32.364 299 H VAL 43 HN VAL 43 22.375 8.617 29.468 300 HA VAL 43 HA VAL 43 21.442 11.002 28.054 301 HB VAL 43 HB VAL 43 23.386 9.200 26.695 302 HG11 VAL 43 HG11 VAL 43 23.888 11.951 26.233 303 HG12 VAL 43 HG12 VAL 43 23.129 10.773 25.136 304 HG13 VAL 43 HG13 VAL 43 22.120 11.744 26.235 305 HG21 VAL 43 HG21 VAL 43 24.117 11.198 28.843 306 HG22 VAL 43 HG22 VAL 43 24.667 9.516 28.645 307 HG23 VAL 43 HG23 VAL 43 25.238 10.778 27.526 308 H LEU 44 HN LEU 44 19.637 10.577 26.880 309 HA LEU 44 HA LEU 44 18.943 7.755 26.561 310 HB2 LEU 44 HB2 LEU 44 17.165 8.645 27.621 311 HB3 LEU 44 HB3 LEU 44 17.451 10.263 27.010 312 HG LEU 44 HG LEU 44 16.511 9.589 24.816 313 HD11 LEU 44 HD11 LEU 44 15.063 7.266 25.455 314 HD12 LEU 44 HD12 LEU 44 16.389 7.440 24.280 315 HD13 LEU 44 HD13 LEU 44 16.742 6.949 25.954 316 HD21 LEU 44 HD21 LEU 44 14.792 9.263 27.280 317 HD22 LEU 44 HD22 LEU 44 15.031 10.714 26.278 318 HD23 LEU 44 HD23 LEU 44 14.129 9.324 25.630 319 H VAL 45 HN VAL 45 19.198 6.802 24.619 320 HA VAL 45 HA VAL 45 19.517 8.585 22.315 321 HB VAL 45 HB VAL 45 20.256 5.673 22.441 322 HG11 VAL 45 HG11 VAL 45 20.864 8.013 20.673 323 HG12 VAL 45 HG12 VAL 45 22.103 6.751 20.870 324 HG13 VAL 45 HG13 VAL 45 20.490 6.325 20.250 325 HG21 VAL 45 HG21 VAL 45 22.636 6.719 22.918 326 HG22 VAL 45 HG22 VAL 45 21.673 8.008 23.680 327 HG23 VAL 45 HG23 VAL 45 21.522 6.329 24.251 328 H ARG 46 HN ARG 46 17.573 8.918 21.335 329 HA ARG 46 HA ARG 46 15.847 6.590 21.133 330 HB2 ARG 46 HB2 ARG 46 15.119 9.525 20.676 331 HB3 ARG 46 HB3 ARG 46 13.996 8.184 20.779 332 HG2 ARG 46 HG2 ARG 46 14.523 7.816 23.131 333 HG3 ARG 46 HG3 ARG 46 15.872 8.933 23.065 334 HD2 ARG 46 HD2 ARG 46 13.314 10.151 22.187 335 HD3 ARG 46 HD3 ARG 46 13.270 9.581 23.843 336 HE ARG 46 HE ARG 46 15.693 11.106 23.202 337 HH11 ARG 46 HH22 ARG 46 12.340 11.329 24.327 338 HH12 ARG 46 HH21 ARG 46 12.576 12.854 25.114 339 HH22 ARG 46 HH1 ARG 46 14.738 13.886 25.051 340 H TYR 47 HN TYR 47 15.913 5.567 19.157 341 HA TYR 47 HA TYR 47 16.783 7.140 16.849 342 HB2 TYR 47 HB2 TYR 47 17.857 4.916 17.648 343 HB3 TYR 47 HB3 TYR 47 16.330 4.126 17.308 344 HD1 TYR 47 HD1 TYR 47 17.852 6.787 15.203 345 HD2 TYR 47 HD2 TYR 47 17.073 2.602 15.633 346 HE1 TYR 47 HE1 TYR 47 18.584 6.397 12.800 347 HE2 TYR 47 HE2 TYR 47 17.808 2.226 13.228 348 HH TYR 47 HH TYR 47 19.585 4.313 11.541 349 H ARG 48 HN ARG 48 15.529 7.386 14.998 350 HA ARG 48 HA ARG 48 13.064 5.929 14.870 351 HB2 ARG 48 HB2 ARG 48 12.002 8.360 14.288 352 HB3 ARG 48 HB3 ARG 48 11.968 7.687 15.906 353 HG2 ARG 48 HG2 ARG 48 14.490 9.122 15.269 354 HG3 ARG 48 HG3 ARG 48 13.069 10.146 15.214 355 HD2 ARG 48 HD2 ARG 48 12.456 9.556 17.504 356 HD3 ARG 48 HD3 ARG 48 13.672 8.295 17.567 357 HE ARG 48 HE ARG 48 15.348 9.926 17.898 358 HH11 ARG 48 HH22 ARG 48 12.292 11.499 17.036 359 HH12 ARG 48 HH21 ARG 48 12.853 13.087 17.438 360 HH22 ARG 48 HH1 ARG 48 15.089 13.371 18.254 361 H ARG 49 HN ARG 49 14.530 5.110 13.055 362 HA ARG 49 HA ARG 49 14.699 7.022 10.885 363 HB2 ARG 49 HB2 ARG 49 16.738 5.652 11.629 364 HB3 ARG 49 HB3 ARG 49 15.915 4.220 11.043 365 HG2 ARG 49 HG2 ARG 49 16.328 6.640 9.245 366 HG3 ARG 49 HG3 ARG 49 17.580 5.429 9.432 367 HD2 ARG 49 HD2 ARG 49 15.099 4.035 8.966 368 HD3 ARG 49 HD3 ARG 49 15.212 5.316 7.776 369 HE ARG 49 HE ARG 49 16.982 2.979 8.010 370 HH11 ARG 49 HH22 ARG 49 16.589 6.218 6.629 371 HH12 ARG 49 HH21 ARG 49 17.749 5.957 5.369 372 HH22 ARG 49 HH1 ARG 49 18.868 3.842 5.223 373 H CYS 50 HN CYS 50 13.911 6.420 8.720 374 HA CYS 50 HA CYS 50 12.324 4.019 8.548 375 HB2 CYS 50 HB2 CYS 50 11.090 6.769 8.340 376 HB3 CYS 50 HB3 CYS 50 10.341 5.322 7.696 377 H TRP 51 HN TRP 51 11.978 3.423 6.304 378 HA TRP 51 HA TRP 51 13.220 5.223 4.353 379 HB2 TRP 51 HB2 TRP 51 14.990 3.762 4.762 380 HB3 TRP 51 HB3 TRP 51 13.942 2.367 4.930 381 HD1 TRP 51 HD1 TRP 51 16.144 3.973 2.420 382 HE1 TRP 51 HE1 TRP 51 15.873 2.975 -0.008 383 HE3 TRP 51 HE3 TRP 51 11.822 1.465 3.364 384 HZ2 TRP 51 HZ2 TRP 51 13.927 1.287 -1.233 385 HZ3 TRP 51 HZ3 TRP 51 10.802 0.166 1.497 386 HH2 TRP 51 HH2 TRP 51 11.784 0.052 -0.739 Start of MODEL 16 1 H1 ARG 1 HN ARG 1 10.207 -7.336 0.896 2 HA ARG 1 HA ARG 1 7.464 -7.059 1.791 3 HB2 ARG 1 HB2 ARG 1 9.846 -8.668 2.707 4 HB3 ARG 1 HB3 ARG 1 8.687 -8.190 3.931 5 HG2 ARG 1 HG2 ARG 1 7.369 -9.229 1.503 6 HG3 ARG 1 HG3 ARG 1 8.465 -10.400 2.209 7 HD2 ARG 1 HD2 ARG 1 7.258 -9.586 4.493 8 HD3 ARG 1 HD3 ARG 1 5.965 -9.192 3.378 9 HE ARG 1 HE ARG 1 5.572 -11.477 3.059 10 HH11 ARG 1 HH22 ARG 1 8.783 -11.066 4.500 11 HH12 ARG 1 HH21 ARG 1 9.025 -12.763 4.747 12 HH22 ARG 1 HH1 ARG 1 7.313 -14.303 4.084 13 H TRP 2 HN TRP 2 7.113 -6.026 3.986 14 HA TRP 2 HA TRP 2 9.254 -4.156 4.699 15 HB2 TRP 2 HB2 TRP 2 6.443 -3.175 4.759 16 HB3 TRP 2 HB3 TRP 2 7.945 -2.289 4.588 17 HD1 TRP 2 HD1 TRP 2 5.200 -3.854 2.502 18 HE1 TRP 2 HE1 TRP 2 5.574 -3.480 -0.083 19 HE3 TRP 2 HE3 TRP 2 9.961 -2.114 2.907 20 HZ2 TRP 2 HZ2 TRP 2 7.769 -2.520 -1.634 21 HZ3 TRP 2 HZ3 TRP 2 11.149 -1.481 0.809 22 HH2 TRP 2 HH2 TRP 2 10.129 -1.661 -1.405 23 H CYS 3 HN CYS 3 9.361 -3.741 6.956 24 HA CYS 3 HA CYS 3 7.276 -4.843 8.618 25 HB2 CYS 3 HB2 CYS 3 10.092 -5.928 8.620 26 HB3 CYS 3 HB3 CYS 3 9.024 -6.072 10.002 27 H VAL 4 HN VAL 4 8.417 -4.549 11.101 28 HA VAL 4 HA VAL 4 9.808 -1.983 11.084 29 HB VAL 4 HB VAL 4 8.227 -0.835 12.217 30 HG11 VAL 4 HG11 VAL 4 5.924 -1.415 11.414 31 HG12 VAL 4 HG12 VAL 4 7.155 -1.372 10.129 32 HG13 VAL 4 HG13 VAL 4 6.585 -2.934 10.764 33 HG21 VAL 4 HG21 VAL 4 7.486 -3.481 13.445 34 HG22 VAL 4 HG22 VAL 4 8.003 -1.969 14.230 35 HG23 VAL 4 HG23 VAL 4 6.364 -2.103 13.550 36 H TYR 5 HN TYR 5 11.383 -1.863 12.646 37 HA TYR 5 HA TYR 5 11.354 -4.005 14.663 38 HB2 TYR 5 HB2 TYR 5 13.394 -2.934 12.682 39 HB3 TYR 5 HB3 TYR 5 14.012 -3.410 14.251 40 HD1 TYR 5 HD2 TYR 5 11.474 -4.879 11.895 41 HD2 TYR 5 HD1 TYR 5 15.047 -5.477 14.170 42 HE1 TYR 5 HE2 TYR 5 11.562 -7.303 11.132 43 HE2 TYR 5 HE1 TYR 5 15.124 -7.899 13.399 44 HH TYR 5 HH TYR 5 13.967 -9.066 11.015 45 H ALA 6 HN ALA 6 11.366 -3.257 16.722 46 HA ALA 6 HA ALA 6 12.604 -0.634 17.175 47 HB1 ALA 6 HB1 ALA 6 10.458 -1.019 19.020 48 HB2 ALA 6 HB2 ALA 6 10.605 0.214 17.744 49 HB3 ALA 6 HB3 ALA 6 9.823 -1.345 17.389 50 H TYR 7 HN TYR 7 13.739 -0.432 19.146 51 HA TYR 7 HA TYR 7 13.719 -2.749 20.915 52 HB2 TYR 7 HB2 TYR 7 15.506 -3.007 19.096 53 HB3 TYR 7 HB3 TYR 7 16.162 -1.447 19.554 54 HD1 TYR 7 HD2 TYR 7 16.791 -1.248 22.157 55 HD2 TYR 7 HD1 TYR 7 16.509 -4.912 19.966 56 HE1 TYR 7 HE2 TYR 7 18.300 -2.389 23.856 57 HE2 TYR 7 HE1 TYR 7 18.018 -6.041 21.672 58 HH TYR 7 HH TYR 7 19.644 -4.194 24.141 59 H VAL 8 HN VAL 8 13.200 -1.831 22.844 60 HA VAL 8 HA VAL 8 14.494 0.733 23.465 61 HB VAL 8 HB VAL 8 11.873 -0.478 24.350 62 HG11 VAL 8 HG11 VAL 8 13.587 1.482 25.689 63 HG12 VAL 8 HG12 VAL 8 11.955 2.109 25.350 64 HG13 VAL 8 HG13 VAL 8 12.156 0.610 26.290 65 HG21 VAL 8 HG21 VAL 8 10.810 1.171 23.110 66 HG22 VAL 8 HG22 VAL 8 12.236 2.236 23.102 67 HG23 VAL 8 HG23 VAL 8 12.207 0.779 22.080 68 H ARG 9 HN ARG 9 15.512 0.987 25.505 69 HA ARG 9 HA ARG 9 15.492 -1.236 27.283 70 HB2 ARG 9 HB2 ARG 9 17.285 -2.194 26.146 71 HB3 ARG 9 HB3 ARG 9 17.810 -0.667 25.465 72 HG2 ARG 9 HG2 ARG 9 18.863 0.010 27.541 73 HG3 ARG 9 HG3 ARG 9 18.098 -1.290 28.434 74 HD2 ARG 9 HD2 ARG 9 19.802 -2.705 27.931 75 HD3 ARG 9 HD3 ARG 9 19.566 -2.444 26.214 76 HE ARG 9 HE ARG 9 20.892 -0.168 26.875 77 HH11 ARG 9 HH22 ARG 9 21.554 -3.535 27.760 78 HH12 ARG 9 HH21 ARG 9 23.263 -3.292 27.897 79 HH22 ARG 9 HH1 ARG 9 24.178 -1.117 27.479 80 H ILE 10 HN ILE 10 15.191 -0.164 29.213 81 HA ILE 10 HA ILE 10 16.994 2.042 29.811 82 HB ILE 10 HB ILE 10 14.102 2.395 30.461 83 HG12 ILE 10 HG12 ILE 10 15.356 2.818 27.748 84 HG13 ILE 10 HG13 ILE 10 13.872 1.976 28.148 85 HG21 ILE 10 HG21 ILE 10 15.683 4.700 29.618 86 HG22 ILE 10 HG22 ILE 10 14.740 4.431 31.104 87 HG23 ILE 10 HG23 ILE 10 16.410 3.825 30.988 88 HD11 ILE 10 HD11 ILE 10 13.073 4.038 27.345 89 HD12 ILE 10 HD12 ILE 10 13.088 4.307 29.104 90 HD13 ILE 10 HD13 ILE 10 14.402 4.956 28.094 91 H ARG 11 HN ARG 11 17.375 2.318 32.075 92 HA ARG 11 HA ARG 11 17.645 1.649 34.110 93 HB2 ARG 11 HB2 ARG 11 14.876 0.418 33.713 94 HB3 ARG 11 HB3 ARG 11 15.693 0.416 35.264 95 HG2 ARG 11 HG2 ARG 11 14.916 2.880 33.635 96 HG3 ARG 11 HG3 ARG 11 14.164 2.343 35.124 97 HD2 ARG 11 HD2 ARG 11 16.918 2.511 35.756 98 HD3 ARG 11 HD3 ARG 11 16.619 3.914 34.750 99 HE ARG 11 HE ARG 11 15.412 3.356 37.395 100 HH11 ARG 11 HH22 ARG 11 15.427 5.413 34.511 101 HH12 ARG 11 HH21 ARG 11 14.598 6.721 35.287 102 HH22 ARG 11 HH1 ARG 11 13.956 6.504 37.586 103 H GLY 12 HN GLY 12 15.667 -1.226 33.123 104 HA2 GLY 12 HA1 GLY 12 17.956 -2.890 32.659 105 HA3 GLY 12 HA2 GLY 12 17.235 -3.170 34.231 106 H VAL 13 HN VAL 13 15.284 -2.033 31.472 107 HA VAL 13 HA VAL 13 14.161 -4.739 31.253 108 HB VAL 13 HB VAL 13 12.648 -2.121 31.188 109 HG11 VAL 13 HG11 VAL 13 10.782 -4.044 31.601 110 HG12 VAL 13 HG12 VAL 13 11.229 -3.424 29.994 111 HG13 VAL 13 HG13 VAL 13 11.943 -4.941 30.592 112 HG21 VAL 13 HG21 VAL 13 11.625 -3.205 33.343 113 HG22 VAL 13 HG22 VAL 13 13.164 -4.099 33.396 114 HG23 VAL 13 HG23 VAL 13 13.166 -2.319 33.440 115 H LEU 14 HN LEU 14 14.221 -5.549 29.217 116 HA LEU 14 HA LEU 14 14.858 -3.648 27.086 117 HB2 LEU 14 HB2 LEU 14 16.475 -5.415 27.460 118 HB3 LEU 14 HB3 LEU 14 15.231 -6.638 27.296 119 HG LEU 14 HG LEU 14 15.163 -6.491 25.015 120 HD11 LEU 14 HD11 LEU 14 14.458 -4.278 24.673 121 HD12 LEU 14 HD12 LEU 14 15.967 -3.599 25.328 122 HD13 LEU 14 HD13 LEU 14 15.973 -4.424 23.751 123 HD21 LEU 14 HD21 LEU 14 17.425 -6.327 24.117 124 HD22 LEU 14 HD22 LEU 14 17.966 -5.492 25.593 125 HD23 LEU 14 HD23 LEU 14 17.419 -7.184 25.678 126 H VAL 15 HN VAL 15 13.151 -2.930 25.938 127 HA VAL 15 HA VAL 15 10.921 -4.811 25.583 128 HB VAL 15 HB VAL 15 10.725 -1.833 25.263 129 HG11 VAL 15 HG11 VAL 15 8.523 -2.209 25.082 130 HG12 VAL 15 HG12 VAL 15 8.943 -3.928 24.891 131 HG13 VAL 15 HG13 VAL 15 8.507 -3.291 26.495 132 HG21 VAL 15 HG21 VAL 15 11.333 -1.560 27.411 133 HG22 VAL 15 HG22 VAL 15 9.755 -2.285 27.801 134 HG23 VAL 15 HG23 VAL 15 11.217 -3.300 27.764 135 H ARG 16 HN ARG 16 11.671 -5.873 23.720 136 HA ARG 16 HA ARG 16 12.431 -4.170 21.521 137 HB2 ARG 16 HB2 ARG 16 12.454 -7.213 21.844 138 HB3 ARG 16 HB3 ARG 16 13.004 -6.382 20.403 139 HG2 ARG 16 HG2 ARG 16 14.612 -5.063 21.943 140 HG3 ARG 16 HG3 ARG 16 14.193 -6.206 23.203 141 HD2 ARG 16 HD2 ARG 16 16.087 -6.539 21.049 142 HD3 ARG 16 HD3 ARG 16 15.749 -7.636 22.374 143 HE ARG 16 HE ARG 16 14.777 -7.873 19.642 144 HH11 ARG 16 HH22 ARG 16 13.988 -8.658 23.006 145 HH12 ARG 16 HH21 ARG 16 12.976 -9.999 22.586 146 HH22 ARG 16 HH1 ARG 16 12.670 -10.560 20.276 147 H TYR 17 HN TYR 17 10.821 -3.478 20.149 148 HA TYR 17 HA TYR 17 8.410 -5.132 19.954 149 HB2 TYR 17 HB2 TYR 17 8.772 -2.480 20.514 150 HB3 TYR 17 HB3 TYR 17 8.841 -2.359 18.767 151 HD1 TYR 17 HD1 TYR 17 6.683 -3.371 21.615 152 HD2 TYR 17 HD2 TYR 17 6.860 -2.474 17.435 153 HE1 TYR 17 HE1 TYR 17 4.143 -3.320 21.511 154 HE2 TYR 17 HE2 TYR 17 4.320 -2.426 17.345 155 HH TYR 17 HH TYR 17 2.401 -2.984 20.287 156 H ARG 18 HN ARG 18 7.391 -5.406 17.815 157 HA ARG 18 HA ARG 18 9.130 -4.928 15.585 158 HB2 ARG 18 HB2 ARG 18 8.237 -7.730 16.424 159 HB3 ARG 18 HB3 ARG 18 8.842 -7.367 14.820 160 HG2 ARG 18 HG2 ARG 18 10.440 -6.656 17.311 161 HG3 ARG 18 HG3 ARG 18 10.540 -8.249 16.590 162 HD2 ARG 18 HD2 ARG 18 10.833 -5.981 14.666 163 HD3 ARG 18 HD3 ARG 18 12.119 -6.115 15.849 164 HE ARG 18 HE ARG 18 11.528 -8.008 13.686 165 HH11 ARG 18 HH22 ARG 18 13.155 -7.580 16.804 166 HH12 ARG 18 HH21 ARG 18 14.255 -8.895 16.551 167 HH22 ARG 18 HH1 ARG 18 14.132 -10.152 14.514 168 H ARG 19 HN ARG 19 7.872 -6.022 13.499 169 HA ARG 19 HA ARG 19 5.158 -6.376 13.669 170 HB2 ARG 19 HB2 ARG 19 5.521 -3.776 14.221 171 HB3 ARG 19 HB3 ARG 19 5.667 -3.637 12.480 172 HG2 ARG 19 HG2 ARG 19 3.403 -3.611 12.357 173 HG3 ARG 19 HG3 ARG 19 3.406 -5.291 12.855 174 HD2 ARG 19 HD2 ARG 19 2.882 -4.790 15.074 175 HD3 ARG 19 HD3 ARG 19 3.701 -3.242 15.036 176 HE ARG 19 HE ARG 19 1.690 -2.250 14.401 177 HH11 ARG 19 HH22 ARG 19 1.548 -5.685 13.543 178 HH12 ARG 19 HH21 ARG 19 -0.099 -5.611 13.010 179 HH22 ARG 19 HH1 ARG 19 -1.273 -3.524 13.111 180 H CYS 20 HN CYS 20 4.145 -6.452 11.423 181 HA CYS 20 HA CYS 20 6.012 -6.168 9.244 182 HB2 CYS 20 HB2 CYS 20 5.087 -8.819 10.265 183 HB3 CYS 20 HB3 CYS 20 5.214 -8.594 8.532 184 H TRP 21 HN TRP 21 4.840 -6.245 7.141 185 HA TRP 21 HA TRP 21 2.028 -5.548 7.532 186 HB2 TRP 21 HB2 TRP 21 3.111 -3.815 6.435 187 HB3 TRP 21 HB3 TRP 21 4.094 -4.891 5.462 188 HD1 TRP 21 HD1 TRP 21 0.802 -3.036 5.371 189 HE1 TRP 21 HE1 TRP 21 -0.506 -3.422 3.112 190 HE3 TRP 21 HE3 TRP 21 3.740 -6.839 3.710 191 HZ2 TRP 21 HZ2 TRP 21 -0.172 -5.234 0.933 192 HZ3 TRP 21 HZ3 TRP 21 3.180 -7.862 1.507 193 HH2 TRP 21 HH2 TRP 21 1.301 -7.119 0.133 194 H1 ARG 31 HN ARG 31 6.019 -1.028 6.087 195 HA ARG 31 HA ARG 31 7.893 -0.067 4.096 196 HB2 ARG 31 HB2 ARG 31 6.459 1.528 6.203 197 HB3 ARG 31 HB3 ARG 31 8.160 1.892 5.985 198 HG2 ARG 31 HG2 ARG 31 7.454 3.259 4.297 199 HG3 ARG 31 HG3 ARG 31 7.323 1.785 3.358 200 HD2 ARG 31 HD2 ARG 31 5.212 3.012 3.181 201 HD3 ARG 31 HD3 ARG 31 4.927 1.547 4.099 202 HE ARG 31 HE ARG 31 5.622 3.702 5.888 203 HH11 ARG 31 HH22 ARG 31 2.944 2.520 3.892 204 HH12 ARG 31 HH21 ARG 31 1.723 3.267 4.868 205 HH22 ARG 31 HH1 ARG 31 2.375 4.537 6.793 206 H TRP 32 HN TRP 32 9.869 0.994 5.732 207 HA TRP 32 HA TRP 32 10.469 -1.247 7.541 208 HB2 TRP 32 HB2 TRP 32 12.085 0.142 5.472 209 HB3 TRP 32 HB3 TRP 32 12.904 -0.278 6.963 210 HD1 TRP 32 HD1 TRP 32 12.044 -1.778 3.696 211 HE1 TRP 32 HE1 TRP 32 12.407 -4.390 3.603 212 HE3 TRP 32 HE3 TRP 32 12.494 -2.421 8.720 213 HZ2 TRP 32 HZ2 TRP 32 12.832 -6.387 5.597 214 HZ3 TRP 32 HZ3 TRP 32 12.882 -4.734 9.564 215 HH2 TRP 32 HH2 TRP 32 13.052 -6.678 8.092 216 H CYS 33 HN CYS 33 9.497 -0.183 9.366 217 HA CYS 33 HA CYS 33 10.448 2.472 9.988 218 HB2 CYS 33 HB2 CYS 33 8.272 0.695 10.951 219 HB3 CYS 33 HB3 CYS 33 8.955 1.802 12.125 220 H VAL 34 HN VAL 34 11.587 2.927 12.033 221 HA VAL 34 HA VAL 34 12.617 0.650 13.484 222 HB VAL 34 HB VAL 34 14.877 0.991 13.038 223 HG11 VAL 34 HG11 VAL 34 15.108 0.762 10.610 224 HG12 VAL 34 HG12 VAL 34 13.703 -0.155 11.204 225 HG13 VAL 34 HG13 VAL 34 13.464 1.405 10.381 226 HG21 VAL 34 HG21 VAL 34 14.030 3.659 11.917 227 HG22 VAL 34 HG22 VAL 34 15.238 3.293 13.172 228 HG23 VAL 34 HG23 VAL 34 15.591 2.933 11.465 229 H TYR 35 HN TYR 35 12.333 1.186 15.580 230 HA TYR 35 HA TYR 35 13.028 3.901 16.390 231 HB2 TYR 35 HB2 TYR 35 10.433 3.250 15.831 232 HB3 TYR 35 HB3 TYR 35 10.516 2.517 17.420 233 HD1 TYR 35 HD2 TYR 35 12.042 4.352 19.044 234 HD2 TYR 35 HD1 TYR 35 9.221 5.224 15.948 235 HE1 TYR 35 HE2 TYR 35 11.565 6.612 20.105 236 HE2 TYR 35 HE1 TYR 35 8.753 7.481 17.020 237 HH TYR 35 HH TYR 35 8.903 8.491 19.222 238 H ALA 36 HN ALA 36 14.412 3.750 18.078 239 HA ALA 36 HA ALA 36 13.923 1.627 20.029 240 HB1 ALA 36 HB1 ALA 36 16.488 1.355 20.072 241 HB2 ALA 36 HB2 ALA 36 15.617 0.632 18.699 242 HB3 ALA 36 HB3 ALA 36 16.479 2.176 18.493 243 H TYR 37 HN TYR 37 14.719 2.143 22.169 244 HA TYR 37 HA TYR 37 15.704 4.874 22.495 245 HB2 TYR 37 HB2 TYR 37 13.084 4.526 22.663 246 HB3 TYR 37 HB3 TYR 37 13.422 3.595 24.109 247 HD1 TYR 37 HD2 TYR 37 14.578 4.745 26.066 248 HD2 TYR 37 HD1 TYR 37 13.002 6.899 22.723 249 HE1 TYR 37 HE2 TYR 37 14.579 6.887 27.436 250 HE2 TYR 37 HE1 TYR 37 13.009 9.034 24.104 251 HH TYR 37 HH TYR 37 13.331 9.028 27.427 252 H VAL 38 HN VAL 38 17.718 3.634 22.927 253 HA VAL 38 HA VAL 38 17.629 2.143 25.438 254 HB VAL 38 HB VAL 38 19.722 2.406 23.273 255 HG11 VAL 38 HG11 VAL 38 20.616 0.323 24.679 256 HG12 VAL 38 HG12 VAL 38 21.099 1.995 25.057 257 HG13 VAL 38 HG13 VAL 38 19.820 1.201 26.007 258 HG21 VAL 38 HG21 VAL 38 18.291 0.936 22.301 259 HG22 VAL 38 HG22 VAL 38 19.108 -0.225 23.375 260 HG23 VAL 38 HG23 VAL 38 17.540 0.473 23.847 261 H ARG 39 HN ARG 39 18.803 2.780 27.268 262 HA ARG 39 HA ARG 39 20.263 5.262 27.002 263 HB2 ARG 39 HB2 ARG 39 17.801 5.592 27.834 264 HB3 ARG 39 HB3 ARG 39 18.330 4.827 29.319 265 HG2 ARG 39 HG2 ARG 39 20.148 6.559 29.536 266 HG3 ARG 39 HG3 ARG 39 19.554 7.340 28.084 267 HD2 ARG 39 HD2 ARG 39 17.983 8.455 29.287 268 HD3 ARG 39 HD3 ARG 39 17.304 6.943 29.855 269 HE ARG 39 HE ARG 39 19.472 7.153 31.483 270 HH11 ARG 39 HH22 ARG 39 17.039 9.567 30.583 271 HH12 ARG 39 HH21 ARG 39 17.174 10.440 32.073 272 HH22 ARG 39 HH1 ARG 39 18.716 9.680 33.743 273 H ILE 40 HN ILE 40 22.109 5.342 28.344 274 HA ILE 40 HA ILE 40 22.303 3.498 30.556 275 HB ILE 40 HB ILE 40 23.728 3.110 27.974 276 HG12 ILE 40 HG12 ILE 40 22.029 1.609 29.757 277 HG13 ILE 40 HG13 ILE 40 22.526 1.243 28.116 278 HG21 ILE 40 HG21 ILE 40 24.998 2.581 30.675 279 HG22 ILE 40 HG22 ILE 40 25.583 1.940 29.121 280 HG23 ILE 40 HG23 ILE 40 25.578 3.696 29.415 281 HD11 ILE 40 HD11 ILE 40 24.607 0.220 28.902 282 HD12 ILE 40 HD12 ILE 40 24.262 0.726 30.573 283 HD13 ILE 40 HD13 ILE 40 23.240 -0.501 29.786 284 H ARG 41 HN ARG 41 24.263 3.952 31.884 285 HA ARG 41 HA ARG 41 25.429 5.388 33.009 286 HB2 ARG 41 HB2 ARG 41 26.213 6.205 30.176 287 HB3 ARG 41 HB3 ARG 41 26.979 6.925 31.578 288 HG2 ARG 41 HG2 ARG 41 26.998 3.994 30.752 289 HG3 ARG 41 HG3 ARG 41 28.372 5.071 30.902 290 HD2 ARG 41 HD2 ARG 41 28.575 3.986 32.939 291 HD3 ARG 41 HD3 ARG 41 27.489 5.265 33.444 292 HE ARG 41 HE ARG 41 26.019 2.981 32.409 293 HH11 ARG 41 HH22 ARG 41 27.701 4.189 35.285 294 HH12 ARG 41 HH21 ARG 41 26.800 3.197 36.381 295 HH22 ARG 41 HH1 ARG 41 25.116 1.725 35.519 296 H GLY 42 HN GLY 42 24.982 7.698 30.269 297 HA2 GLY 42 HA1 GLY 42 22.885 9.153 31.622 298 HA3 GLY 42 HA2 GLY 42 24.447 9.946 31.666 299 H VAL 43 HN VAL 43 23.545 7.799 28.969 300 HA VAL 43 HA VAL 43 23.051 10.168 27.313 301 HB VAL 43 HB VAL 43 24.563 7.868 26.178 302 HG11 VAL 43 HG11 VAL 43 24.592 9.297 24.465 303 HG12 VAL 43 HG12 VAL 43 23.891 10.590 25.468 304 HG13 VAL 43 HG13 VAL 43 25.655 10.355 25.425 305 HG21 VAL 43 HG21 VAL 43 25.818 9.972 27.972 306 HG22 VAL 43 HG22 VAL 43 25.778 8.214 28.247 307 HG23 VAL 43 HG23 VAL 43 26.720 8.882 26.893 308 H LEU 44 HN LEU 44 21.163 10.017 26.214 309 HA LEU 44 HA LEU 44 19.924 7.369 26.122 310 HB2 LEU 44 HB2 LEU 44 18.377 8.654 27.135 311 HB3 LEU 44 HB3 LEU 44 18.955 10.142 26.411 312 HG LEU 44 HG LEU 44 17.835 9.569 24.297 313 HD11 LEU 44 HD11 LEU 44 16.047 7.525 25.062 314 HD12 LEU 44 HD12 LEU 44 17.324 7.464 23.823 315 HD13 LEU 44 HD13 LEU 44 17.679 6.958 25.493 316 HD21 LEU 44 HD21 LEU 44 16.676 10.915 25.997 317 HD22 LEU 44 HD22 LEU 44 15.547 9.934 25.033 318 HD23 LEU 44 HD23 LEU 44 15.974 9.430 26.686 319 H VAL 45 HN VAL 45 20.194 6.250 24.273 320 HA VAL 45 HA VAL 45 20.583 7.809 21.823 321 HB VAL 45 HB VAL 45 21.096 4.869 22.097 322 HG11 VAL 45 HG11 VAL 45 23.110 5.914 20.598 323 HG12 VAL 45 HG12 VAL 45 21.566 5.331 19.932 324 HG13 VAL 45 HG13 VAL 45 21.802 7.068 20.241 325 HG21 VAL 45 HG21 VAL 45 23.526 5.633 22.658 326 HG22 VAL 45 HG22 VAL 45 22.736 7.105 23.271 327 HG23 VAL 45 HG23 VAL 45 22.322 5.519 23.964 328 H ARG 46 HN ARG 46 18.453 8.291 21.231 329 HA ARG 46 HA ARG 46 16.760 5.948 20.898 330 HB2 ARG 46 HB2 ARG 46 15.009 8.016 20.599 331 HB3 ARG 46 HB3 ARG 46 15.378 7.307 22.158 332 HG2 ARG 46 HG2 ARG 46 17.178 9.025 22.501 333 HG3 ARG 46 HG3 ARG 46 16.776 9.743 20.954 334 HD2 ARG 46 HD2 ARG 46 14.784 9.441 23.253 335 HD3 ARG 46 HD3 ARG 46 15.706 10.900 22.948 336 HE ARG 46 HE ARG 46 14.483 10.309 20.498 337 HH11 ARG 46 HH22 ARG 46 13.356 10.960 23.794 338 HH12 ARG 46 HH21 ARG 46 11.848 11.637 23.277 339 HH22 ARG 46 HH1 ARG 46 11.362 11.769 20.934 340 H TYR 47 HN TYR 47 15.464 5.820 18.880 341 HA TYR 47 HA TYR 47 16.374 7.599 16.745 342 HB2 TYR 47 HB2 TYR 47 17.660 5.307 17.013 343 HB3 TYR 47 HB3 TYR 47 16.148 4.537 16.574 344 HD1 TYR 47 HD2 TYR 47 17.543 7.687 15.139 345 HD2 TYR 47 HD1 TYR 47 16.708 3.539 14.507 346 HE1 TYR 47 HE2 TYR 47 18.126 7.937 12.677 347 HE2 TYR 47 HE1 TYR 47 17.293 3.803 12.047 348 HH TYR 47 HH TYR 47 19.013 6.239 10.857 349 H ARG 48 HN ARG 48 14.850 7.917 15.077 350 HA ARG 48 HA ARG 48 12.468 6.331 15.167 351 HB2 ARG 48 HB2 ARG 48 11.042 8.498 15.199 352 HB3 ARG 48 HB3 ARG 48 11.731 7.989 16.727 353 HG2 ARG 48 HG2 ARG 48 13.780 9.544 15.881 354 HG3 ARG 48 HG3 ARG 48 12.493 10.317 14.979 355 HD2 ARG 48 HD2 ARG 48 11.280 10.104 17.433 356 HD3 ARG 48 HD3 ARG 48 12.954 10.237 17.936 357 HE ARG 48 HE ARG 48 12.966 12.470 17.233 358 HH11 ARG 48 HH22 ARG 48 10.193 10.827 15.759 359 HH12 ARG 48 HH21 ARG 48 9.522 12.283 15.102 360 HH22 ARG 48 HH1 ARG 48 10.648 14.366 15.472 361 H ARG 49 HN ARG 49 12.264 5.778 13.018 362 HA ARG 49 HA ARG 49 11.791 7.666 11.089 363 HB2 ARG 49 HB2 ARG 49 14.434 7.815 11.522 364 HB3 ARG 49 HB3 ARG 49 14.475 6.393 10.500 365 HG2 ARG 49 HG2 ARG 49 14.757 8.501 9.186 366 HG3 ARG 49 HG3 ARG 49 13.347 7.592 8.678 367 HD2 ARG 49 HD2 ARG 49 11.934 9.285 9.255 368 HD3 ARG 49 HD3 ARG 49 12.649 9.436 10.847 369 HE ARG 49 HE ARG 49 14.567 10.599 9.270 370 HH11 ARG 49 HH22 ARG 49 11.061 11.076 9.461 371 HH12 ARG 49 HH21 ARG 49 11.135 12.735 8.969 372 HH22 ARG 49 HH1 ARG 49 13.265 13.720 8.480 373 H CYS 50 HN CYS 50 11.690 6.587 8.820 374 HA CYS 50 HA CYS 50 11.765 3.695 8.947 375 HB2 CYS 50 HB2 CYS 50 9.247 4.985 7.940 376 HB3 CYS 50 HB3 CYS 50 9.538 3.310 8.367 377 H TRP 51 HN TRP 51 11.474 2.784 6.659 378 HA TRP 51 HA TRP 51 12.509 4.746 4.734 379 HB2 TRP 51 HB2 TRP 51 12.743 1.796 4.334 380 HB3 TRP 51 HB3 TRP 51 13.767 3.093 3.751 381 HD1 TRP 51 HD1 TRP 51 14.392 0.365 5.796 382 HE1 TRP 51 HE1 TRP 51 16.018 0.728 7.842 383 HE3 TRP 51 HE3 TRP 51 13.981 5.432 5.898 384 HZ2 TRP 51 HZ2 TRP 51 16.930 3.042 9.242 385 HZ3 TRP 51 HZ3 TRP 51 15.272 6.667 7.636 386 HH2 TRP 51 HH2 TRP 51 16.708 5.554 9.271 Start of MODEL 17 1 H1 ARG 1 HN ARG 1 11.158 -6.037 1.982 2 HA ARG 1 HA ARG 1 8.323 -6.131 1.414 3 HB2 ARG 1 HB2 ARG 1 9.858 -7.925 3.295 4 HB3 ARG 1 HB3 ARG 1 8.272 -7.388 3.811 5 HG2 ARG 1 HG2 ARG 1 8.190 -8.249 1.016 6 HG3 ARG 1 HG3 ARG 1 8.868 -9.515 2.021 7 HD2 ARG 1 HD2 ARG 1 6.913 -9.661 3.382 8 HD3 ARG 1 HD3 ARG 1 6.341 -8.077 2.900 9 HE ARG 1 HE ARG 1 6.471 -9.627 0.536 10 HH11 ARG 1 HH22 ARG 1 4.687 -9.684 3.597 11 HH12 ARG 1 HH21 ARG 1 3.301 -10.470 2.917 12 HH22 ARG 1 HH1 ARG 1 3.297 -11.036 0.588 13 H TRP 2 HN TRP 2 7.204 -5.641 3.841 14 HA TRP 2 HA TRP 2 8.611 -3.225 4.742 15 HB2 TRP 2 HB2 TRP 2 5.714 -3.680 5.277 16 HB3 TRP 2 HB3 TRP 2 6.597 -2.182 5.060 17 HD1 TRP 2 HD1 TRP 2 3.940 -3.623 3.343 18 HE1 TRP 2 HE1 TRP 2 3.903 -3.343 0.720 19 HE3 TRP 2 HE3 TRP 2 8.869 -2.467 2.871 20 HZ2 TRP 2 HZ2 TRP 2 5.894 -2.684 -1.215 21 HZ3 TRP 2 HZ3 TRP 2 9.742 -2.019 0.579 22 HH2 TRP 2 HH2 TRP 2 8.342 -2.113 -1.422 23 H CYS 3 HN CYS 3 9.407 -3.248 6.808 24 HA CYS 3 HA CYS 3 8.111 -4.965 8.747 25 HB2 CYS 3 HB2 CYS 3 10.846 -5.413 7.672 26 HB3 CYS 3 HB3 CYS 3 10.647 -5.551 9.408 27 H VAL 4 HN VAL 4 8.869 -4.369 11.004 28 HA VAL 4 HA VAL 4 10.316 -1.853 11.146 29 HB VAL 4 HB VAL 4 8.638 -0.671 12.263 30 HG11 VAL 4 HG11 VAL 4 6.875 -0.481 10.664 31 HG12 VAL 4 HG12 VAL 4 8.338 -0.950 9.766 32 HG13 VAL 4 HG13 VAL 4 7.088 -2.164 10.128 33 HG21 VAL 4 HG21 VAL 4 7.584 -1.968 13.816 34 HG22 VAL 4 HG22 VAL 4 6.318 -1.980 12.565 35 HG23 VAL 4 HG23 VAL 4 7.432 -3.360 12.717 36 H TYR 5 HN TYR 5 11.810 -2.024 12.734 37 HA TYR 5 HA TYR 5 11.275 -4.023 14.827 38 HB2 TYR 5 HB2 TYR 5 13.656 -3.061 13.196 39 HB3 TYR 5 HB3 TYR 5 13.986 -3.584 14.835 40 HD1 TYR 5 HD2 TYR 5 12.102 -5.866 15.129 41 HD2 TYR 5 HD1 TYR 5 14.583 -4.726 11.835 42 HE1 TYR 5 HE2 TYR 5 12.175 -8.281 14.338 43 HE2 TYR 5 HE1 TYR 5 14.648 -7.145 11.056 44 HH TYR 5 HH TYR 5 12.730 -9.254 11.574 45 H ALA 6 HN ALA 6 11.648 -3.478 16.997 46 HA ALA 6 HA ALA 6 12.514 -0.724 17.490 47 HB1 ALA 6 HB1 ALA 6 10.512 -0.109 18.309 48 HB2 ALA 6 HB2 ALA 6 9.844 -1.619 17.646 49 HB3 ALA 6 HB3 ALA 6 10.422 -1.565 19.328 50 H TYR 7 HN TYR 7 13.840 -0.501 19.287 51 HA TYR 7 HA TYR 7 14.133 -2.878 20.982 52 HB2 TYR 7 HB2 TYR 7 15.965 -2.915 19.342 53 HB3 TYR 7 HB3 TYR 7 16.166 -1.176 19.435 54 HD1 TYR 7 HD1 TYR 7 16.181 -4.025 21.893 55 HD2 TYR 7 HD2 TYR 7 18.136 -0.508 20.441 56 HE1 TYR 7 HE1 TYR 7 18.019 -4.324 23.624 57 HE2 TYR 7 HE2 TYR 7 19.967 -0.818 22.177 58 HH TYR 7 HH TYR 7 20.861 -3.119 23.458 59 H VAL 8 HN VAL 8 13.142 -1.984 22.798 60 HA VAL 8 HA VAL 8 14.174 0.611 23.678 61 HB VAL 8 HB VAL 8 11.715 -0.979 24.426 62 HG11 VAL 8 HG11 VAL 8 12.286 0.099 26.431 63 HG12 VAL 8 HG12 VAL 8 12.876 1.554 25.592 64 HG13 VAL 8 HG13 VAL 8 11.131 1.212 25.660 65 HG21 VAL 8 HG21 VAL 8 10.491 0.885 23.391 66 HG22 VAL 8 HG22 VAL 8 12.033 1.663 22.961 67 HG23 VAL 8 HG23 VAL 8 11.590 0.103 22.228 68 H ARG 9 HN ARG 9 15.177 0.857 25.697 69 HA ARG 9 HA ARG 9 15.312 -1.396 27.425 70 HB2 ARG 9 HB2 ARG 9 17.167 -2.206 26.264 71 HB3 ARG 9 HB3 ARG 9 17.607 -0.626 25.646 72 HG2 ARG 9 HG2 ARG 9 18.473 0.043 27.868 73 HG3 ARG 9 HG3 ARG 9 17.948 -1.479 28.560 74 HD2 ARG 9 HD2 ARG 9 19.454 -2.531 26.614 75 HD3 ARG 9 HD3 ARG 9 20.224 -0.957 26.634 76 HE ARG 9 HE ARG 9 19.900 -2.229 29.281 77 HH11 ARG 9 HH22 ARG 9 22.043 -1.669 26.515 78 HH12 ARG 9 HH21 ARG 9 23.486 -2.032 27.401 79 HH22 ARG 9 HH1 ARG 9 23.322 -2.641 29.713 80 H ILE 10 HN ILE 10 14.970 -0.407 29.390 81 HA ILE 10 HA ILE 10 16.619 1.888 30.053 82 HB ILE 10 HB ILE 10 13.701 2.111 30.634 83 HG12 ILE 10 HG12 ILE 10 14.982 2.802 27.975 84 HG13 ILE 10 HG13 ILE 10 13.703 1.637 28.256 85 HG21 ILE 10 HG21 ILE 10 15.187 4.494 29.850 86 HG22 ILE 10 HG22 ILE 10 14.245 4.158 31.322 87 HG23 ILE 10 HG23 ILE 10 15.943 3.634 31.213 88 HD11 ILE 10 HD11 ILE 10 12.529 3.803 29.392 89 HD12 ILE 10 HD12 ILE 10 13.577 4.630 28.214 90 HD13 ILE 10 HD13 ILE 10 12.383 3.433 27.657 91 H ARG 11 HN ARG 11 16.821 2.208 32.365 92 HA ARG 11 HA ARG 11 17.048 1.527 34.402 93 HB2 ARG 11 HB2 ARG 11 14.457 -0.012 33.873 94 HB3 ARG 11 HB3 ARG 11 15.172 0.160 35.464 95 HG2 ARG 11 HG2 ARG 11 13.727 2.179 33.807 96 HG3 ARG 11 HG3 ARG 11 13.771 1.994 35.549 97 HD2 ARG 11 HD2 ARG 11 16.143 2.905 35.533 98 HD3 ARG 11 HD3 ARG 11 15.982 3.195 33.812 99 HE ARG 11 HE ARG 11 13.755 4.398 35.166 100 HH11 ARG 11 HH22 ARG 11 17.242 4.848 34.729 101 HH12 ARG 11 HH21 ARG 11 17.178 6.561 34.981 102 HH22 ARG 11 HH1 ARG 11 15.068 7.602 35.433 103 H GLY 12 HN GLY 12 15.404 -1.503 33.279 104 HA2 GLY 12 HA1 GLY 12 17.849 -2.940 32.889 105 HA3 GLY 12 HA2 GLY 12 17.115 -3.301 34.439 106 H VAL 13 HN VAL 13 15.146 -2.333 31.628 107 HA VAL 13 HA VAL 13 14.315 -5.133 31.333 108 HB VAL 13 HB VAL 13 12.519 -2.700 31.344 109 HG11 VAL 13 HG11 VAL 13 11.010 -3.998 30.342 110 HG12 VAL 13 HG12 VAL 13 12.169 -5.349 30.303 111 HG13 VAL 13 HG13 VAL 13 11.094 -5.138 31.706 112 HG21 VAL 13 HG21 VAL 13 13.212 -4.710 33.476 113 HG22 VAL 13 HG22 VAL 13 13.050 -2.941 33.593 114 HG23 VAL 13 HG23 VAL 13 11.598 -3.960 33.439 115 H LEU 14 HN LEU 14 14.422 -5.866 29.265 116 HA LEU 14 HA LEU 14 14.910 -3.842 27.210 117 HB2 LEU 14 HB2 LEU 14 16.675 -5.446 27.485 118 HB3 LEU 14 HB3 LEU 14 15.553 -6.786 27.365 119 HG LEU 14 HG LEU 14 15.372 -6.637 25.081 120 HD11 LEU 14 HD11 LEU 14 14.522 -4.492 24.726 121 HD12 LEU 14 HD12 LEU 14 15.968 -3.701 25.398 122 HD13 LEU 14 HD13 LEU 14 16.050 -4.506 23.813 123 HD21 LEU 14 HD21 LEU 14 17.657 -7.231 25.596 124 HD22 LEU 14 HD22 LEU 14 17.616 -6.242 24.117 125 HD23 LEU 14 HD23 LEU 14 18.127 -5.515 25.659 126 H VAL 15 HN VAL 15 13.164 -3.227 26.060 127 HA VAL 15 HA VAL 15 11.095 -5.267 25.622 128 HB VAL 15 HB VAL 15 10.602 -2.328 25.365 129 HG11 VAL 15 HG11 VAL 15 8.454 -2.950 25.265 130 HG12 VAL 15 HG12 VAL 15 9.044 -4.622 25.108 131 HG13 VAL 15 HG13 VAL 15 8.605 -3.981 26.709 132 HG21 VAL 15 HG21 VAL 15 9.803 -2.786 27.932 133 HG22 VAL 15 HG22 VAL 15 11.302 -3.743 27.866 134 HG23 VAL 15 HG23 VAL 15 11.337 -2.006 27.477 135 H ARG 16 HN ARG 16 11.959 -6.186 23.729 136 HA ARG 16 HA ARG 16 12.574 -4.338 21.603 137 HB2 ARG 16 HB2 ARG 16 13.132 -7.242 22.173 138 HB3 ARG 16 HB3 ARG 16 13.029 -6.780 20.486 139 HG2 ARG 16 HG2 ARG 16 14.711 -4.934 20.944 140 HG3 ARG 16 HG3 ARG 16 14.874 -5.539 22.580 141 HD2 ARG 16 HD2 ARG 16 16.658 -6.611 21.457 142 HD3 ARG 16 HD3 ARG 16 15.417 -7.849 21.463 143 HE ARG 16 HE ARG 16 14.959 -6.430 19.102 144 HH11 ARG 16 HH22 ARG 16 17.716 -8.180 20.477 145 HH12 ARG 16 HH21 ARG 16 18.368 -8.616 18.933 146 HH22 ARG 16 HH1 ARG 16 17.237 -7.914 16.940 147 H TYR 17 HN TYR 17 10.840 -3.693 20.356 148 HA TYR 17 HA TYR 17 8.601 -5.542 20.060 149 HB2 TYR 17 HB2 TYR 17 8.774 -2.879 20.658 150 HB3 TYR 17 HB3 TYR 17 8.834 -2.729 18.913 151 HD1 TYR 17 HD1 TYR 17 6.890 -3.381 17.524 152 HD2 TYR 17 HD2 TYR 17 6.730 -3.519 21.798 153 HE1 TYR 17 HE1 TYR 17 4.353 -3.512 17.432 154 HE2 TYR 17 HE2 TYR 17 4.193 -3.649 21.691 155 HH TYR 17 HH TYR 17 2.517 -3.618 18.554 156 H ARG 18 HN ARG 18 7.618 -5.881 17.921 157 HA ARG 18 HA ARG 18 9.289 -5.219 15.692 158 HB2 ARG 18 HB2 ARG 18 9.029 -7.781 14.975 159 HB3 ARG 18 HB3 ARG 18 10.367 -7.273 15.986 160 HG2 ARG 18 HG2 ARG 18 9.013 -7.881 18.029 161 HG3 ARG 18 HG3 ARG 18 7.733 -8.459 16.981 162 HD2 ARG 18 HD2 ARG 18 8.894 -10.453 17.387 163 HD3 ARG 18 HD3 ARG 18 9.652 -9.938 15.893 164 HE ARG 18 HE ARG 18 11.098 -8.759 18.050 165 HH11 ARG 18 HH22 ARG 18 10.490 -11.968 16.677 166 HH12 ARG 18 HH21 ARG 18 11.997 -12.624 17.224 167 HH22 ARG 18 HH1 ARG 18 13.507 -11.229 18.454 168 H ARG 19 HN ARG 19 8.161 -5.927 13.562 169 HA ARG 19 HA ARG 19 5.589 -6.877 13.570 170 HB2 ARG 19 HB2 ARG 19 5.318 -4.518 14.725 171 HB3 ARG 19 HB3 ARG 19 5.549 -3.869 13.114 172 HG2 ARG 19 HG2 ARG 19 3.533 -6.088 13.486 173 HG3 ARG 19 HG3 ARG 19 3.104 -4.478 14.029 174 HD2 ARG 19 HD2 ARG 19 4.335 -4.448 11.345 175 HD3 ARG 19 HD3 ARG 19 2.897 -5.448 11.398 176 HE ARG 19 HE ARG 19 3.025 -2.529 11.814 177 HH11 ARG 19 HH22 ARG 19 1.060 -5.463 12.102 178 HH12 ARG 19 HH21 ARG 19 -0.442 -4.602 12.156 179 HH22 ARG 19 HH1 ARG 19 -0.427 -2.209 12.027 180 H CYS 20 HN CYS 20 4.668 -6.870 11.350 181 HA CYS 20 HA CYS 20 6.270 -5.591 9.321 182 HB2 CYS 20 HB2 CYS 20 6.008 -8.600 9.479 183 HB3 CYS 20 HB3 CYS 20 6.528 -7.729 8.050 184 H TRP 21 HN TRP 21 5.155 -6.066 7.082 185 HA TRP 21 HA TRP 21 2.262 -6.317 7.557 186 HB2 TRP 21 HB2 TRP 21 3.850 -4.389 5.915 187 HB3 TRP 21 HB3 TRP 21 2.262 -4.870 5.353 188 HD1 TRP 21 HD1 TRP 21 0.210 -4.445 7.345 189 HE1 TRP 21 HE1 TRP 21 -0.179 -2.394 8.960 190 HE3 TRP 21 HE3 TRP 21 4.969 -2.673 7.093 191 HZ2 TRP 21 HZ2 TRP 21 1.510 -0.308 9.928 192 HZ3 TRP 21 HZ3 TRP 21 5.516 -0.624 8.403 193 HH2 TRP 21 HH2 TRP 21 3.877 0.550 9.785 194 H1 ARG 31 HN ARG 31 6.218 -0.618 3.907 195 HA ARG 31 HA ARG 31 8.692 0.716 3.324 196 HB2 ARG 31 HB2 ARG 31 6.265 1.302 5.036 197 HB3 ARG 31 HB3 ARG 31 7.760 2.143 5.400 198 HG2 ARG 31 HG2 ARG 31 6.438 3.497 3.843 199 HG3 ARG 31 HG3 ARG 31 7.887 2.940 3.029 200 HD2 ARG 31 HD2 ARG 31 6.713 1.615 1.555 201 HD3 ARG 31 HD3 ARG 31 5.579 1.078 2.779 202 HE ARG 31 HE ARG 31 4.953 3.774 2.383 203 HH11 ARG 31 HH22 ARG 31 5.117 0.900 0.318 204 HH12 ARG 31 HH21 ARG 31 3.899 1.465 -0.777 205 HH22 ARG 31 HH1 ARG 31 2.872 3.596 -0.393 206 H TRP 32 HN TRP 32 9.963 1.488 5.451 207 HA TRP 32 HA TRP 32 10.116 -0.809 7.281 208 HB2 TRP 32 HB2 TRP 32 12.236 0.506 5.665 209 HB3 TRP 32 HB3 TRP 32 12.648 0.068 7.312 210 HD1 TRP 32 HD1 TRP 32 11.939 -1.519 3.911 211 HE1 TRP 32 HE1 TRP 32 12.451 -4.108 3.914 212 HE3 TRP 32 HE3 TRP 32 12.608 -1.915 8.936 213 HZ2 TRP 32 HZ2 TRP 32 13.064 -5.988 5.971 214 HZ3 TRP 32 HZ3 TRP 32 13.160 -4.163 9.861 215 HH2 TRP 32 HH2 TRP 32 13.390 -6.157 8.466 216 H CYS 33 HN CYS 33 10.824 -0.214 9.476 217 HA CYS 33 HA CYS 33 10.921 2.615 10.042 218 HB2 CYS 33 HB2 CYS 33 8.605 0.887 10.730 219 HB3 CYS 33 HB3 CYS 33 9.191 1.950 11.994 220 H VAL 34 HN VAL 34 11.761 2.982 12.275 221 HA VAL 34 HA VAL 34 12.628 0.630 13.713 222 HB VAL 34 HB VAL 34 14.979 1.326 13.715 223 HG11 VAL 34 HG11 VAL 34 15.560 0.318 11.673 224 HG12 VAL 34 HG12 VAL 34 13.940 -0.328 12.034 225 HG13 VAL 34 HG13 VAL 34 14.133 0.974 10.836 226 HG21 VAL 34 HG21 VAL 34 15.161 3.568 13.246 227 HG22 VAL 34 HG22 VAL 34 15.549 2.890 11.647 228 HG23 VAL 34 HG23 VAL 34 13.917 3.520 11.974 229 H TYR 35 HN TYR 35 12.337 1.020 15.850 230 HA TYR 35 HA TYR 35 12.684 3.763 16.793 231 HB2 TYR 35 HB2 TYR 35 10.207 2.806 16.140 232 HB3 TYR 35 HB3 TYR 35 10.353 2.024 17.702 233 HD1 TYR 35 HD1 TYR 35 11.292 5.448 16.466 234 HD2 TYR 35 HD2 TYR 35 9.047 3.123 19.270 235 HE1 TYR 35 HE1 TYR 35 10.504 7.577 17.612 236 HE2 TYR 35 HE2 TYR 35 8.267 5.260 20.406 237 HH TYR 35 HH TYR 35 9.332 7.698 20.577 238 H ALA 36 HN ALA 36 14.320 3.504 18.248 239 HA ALA 36 HA ALA 36 13.950 1.370 20.229 240 HB1 ALA 36 HB1 ALA 36 16.465 1.156 20.221 241 HB2 ALA 36 HB2 ALA 36 15.680 0.612 18.719 242 HB3 ALA 36 HB3 ALA 36 16.493 2.195 18.776 243 H TYR 37 HN TYR 37 14.259 1.997 22.357 244 HA TYR 37 HA TYR 37 15.234 4.744 22.749 245 HB2 TYR 37 HB2 TYR 37 12.640 4.189 22.872 246 HB3 TYR 37 HB3 TYR 37 13.034 3.286 24.322 247 HD1 TYR 37 HD2 TYR 37 14.127 4.537 26.274 248 HD2 TYR 37 HD1 TYR 37 12.320 6.532 22.949 249 HE1 TYR 37 HE2 TYR 37 13.946 6.671 27.644 250 HE2 TYR 37 HE1 TYR 37 12.146 8.660 24.330 251 HH TYR 37 HH TYR 37 12.036 9.285 26.662 252 H VAL 38 HN VAL 38 17.323 3.624 23.184 253 HA VAL 38 HA VAL 38 17.300 2.118 25.690 254 HB VAL 38 HB VAL 38 19.386 2.485 23.532 255 HG11 VAL 38 HG11 VAL 38 20.688 0.768 24.759 256 HG12 VAL 38 HG12 VAL 38 20.497 2.276 25.685 257 HG13 VAL 38 HG13 VAL 38 19.508 0.852 26.089 258 HG21 VAL 38 HG21 VAL 38 18.653 -0.241 23.992 259 HG22 VAL 38 HG22 VAL 38 17.164 0.711 23.778 260 HG23 VAL 38 HG23 VAL 38 18.429 0.743 22.526 261 H ARG 39 HN ARG 39 18.466 2.804 27.516 262 HA ARG 39 HA ARG 39 19.762 5.377 27.252 263 HB2 ARG 39 HB2 ARG 39 17.303 5.545 28.122 264 HB3 ARG 39 HB3 ARG 39 17.893 4.787 29.587 265 HG2 ARG 39 HG2 ARG 39 19.559 6.614 29.884 266 HG3 ARG 39 HG3 ARG 39 19.024 7.362 28.392 267 HD2 ARG 39 HD2 ARG 39 17.381 8.453 29.516 268 HD3 ARG 39 HD3 ARG 39 16.676 6.921 29.993 269 HE ARG 39 HE ARG 39 17.722 7.094 32.101 270 HH11 ARG 39 HH22 ARG 39 19.000 9.578 29.922 271 HH12 ARG 39 HH21 ARG 39 19.827 10.433 31.181 272 HH22 ARG 39 HH1 ARG 39 19.703 9.618 33.431 273 H ILE 40 HN ILE 40 21.620 5.568 28.567 274 HA ILE 40 HA ILE 40 21.973 3.707 30.747 275 HB ILE 40 HB ILE 40 23.464 3.524 28.165 276 HG12 ILE 40 HG12 ILE 40 21.805 1.813 29.844 277 HG13 ILE 40 HG13 ILE 40 22.228 1.661 28.151 278 HG21 ILE 40 HG21 ILE 40 25.201 4.089 29.777 279 HG22 ILE 40 HG22 ILE 40 24.627 2.806 30.870 280 HG23 ILE 40 HG23 ILE 40 25.323 2.382 29.288 281 HD11 ILE 40 HD11 ILE 40 24.421 0.680 28.750 282 HD12 ILE 40 HD12 ILE 40 24.048 0.888 30.478 283 HD13 ILE 40 HD13 ILE 40 23.097 -0.249 29.493 284 H ARG 41 HN ARG 41 23.888 4.287 32.078 285 HA ARG 41 HA ARG 41 24.980 5.774 33.207 286 HB2 ARG 41 HB2 ARG 41 25.620 6.748 30.387 287 HB3 ARG 41 HB3 ARG 41 26.363 7.477 31.797 288 HG2 ARG 41 HG2 ARG 41 26.441 4.467 31.368 289 HG3 ARG 41 HG3 ARG 41 27.621 5.516 30.609 290 HD2 ARG 41 HD2 ARG 41 27.113 5.801 33.582 291 HD3 ARG 41 HD3 ARG 41 28.094 4.463 33.015 292 HE ARG 41 HE ARG 41 28.929 6.983 31.822 293 HH11 ARG 41 HH22 ARG 41 29.210 5.001 34.745 294 HH12 ARG 41 HH21 ARG 41 30.724 5.695 35.220 295 HH22 ARG 41 HH1 ARG 41 31.714 7.397 33.855 296 H GLY 42 HN GLY 42 24.248 8.107 30.545 297 HA2 GLY 42 HA1 GLY 42 22.073 9.337 31.985 298 HA3 GLY 42 HA2 GLY 42 23.562 10.260 32.040 299 H VAL 43 HN VAL 43 22.846 8.146 29.270 300 HA VAL 43 HA VAL 43 22.086 10.512 27.713 301 HB VAL 43 HB VAL 43 23.834 8.441 26.479 302 HG11 VAL 43 HG11 VAL 43 22.860 11.099 25.886 303 HG12 VAL 43 HG12 VAL 43 24.639 11.063 25.827 304 HG13 VAL 43 HG13 VAL 43 23.692 9.935 24.827 305 HG21 VAL 43 HG21 VAL 43 24.793 10.512 28.468 306 HG22 VAL 43 HG22 VAL 43 25.110 8.761 28.452 307 HG23 VAL 43 HG23 VAL 43 25.851 9.811 27.220 308 H LEU 44 HN LEU 44 20.200 10.196 26.650 309 HA LEU 44 HA LEU 44 19.277 7.430 26.428 310 HB2 LEU 44 HB2 LEU 44 17.613 8.473 27.532 311 HB3 LEU 44 HB3 LEU 44 17.997 10.052 26.876 312 HG LEU 44 HG LEU 44 16.910 9.448 24.749 313 HD11 LEU 44 HD11 LEU 44 16.870 6.777 25.989 314 HD12 LEU 44 HD12 LEU 44 15.351 7.257 25.196 315 HD13 LEU 44 HD13 LEU 44 16.874 7.256 24.275 316 HD21 LEU 44 HD21 LEU 44 15.107 8.973 27.137 317 HD22 LEU 44 HD22 LEU 44 15.650 10.566 26.558 318 HD23 LEU 44 HD23 LEU 44 14.621 9.546 25.523 319 H VAL 45 HN VAL 45 19.588 6.442 24.513 320 HA VAL 45 HA VAL 45 19.901 8.145 22.161 321 HB VAL 45 HB VAL 45 20.392 5.181 22.340 322 HG11 VAL 45 HG11 VAL 45 22.240 5.990 20.659 323 HG12 VAL 45 HG12 VAL 45 20.556 5.801 20.115 324 HG13 VAL 45 HG13 VAL 45 21.191 7.419 20.499 325 HG21 VAL 45 HG21 VAL 45 21.789 5.755 24.069 326 HG22 VAL 45 HG22 VAL 45 22.871 6.066 22.690 327 HG23 VAL 45 HG23 VAL 45 22.023 7.418 23.479 328 H ARG 46 HN ARG 46 17.978 8.626 21.208 329 HA ARG 46 HA ARG 46 16.058 6.447 21.077 330 HB2 ARG 46 HB2 ARG 46 15.544 9.431 20.647 331 HB3 ARG 46 HB3 ARG 46 14.326 8.179 20.785 332 HG2 ARG 46 HG2 ARG 46 14.832 7.795 23.115 333 HG3 ARG 46 HG3 ARG 46 16.327 8.704 23.020 334 HD2 ARG 46 HD2 ARG 46 14.094 10.382 22.163 335 HD3 ARG 46 HD3 ARG 46 13.749 9.690 23.735 336 HE ARG 46 HE ARG 46 16.458 10.825 23.440 337 HH11 ARG 46 HH22 ARG 46 13.124 11.385 24.501 338 HH12 ARG 46 HH21 ARG 46 13.543 12.716 25.527 339 HH22 ARG 46 HH1 ARG 46 15.835 13.402 25.684 340 H TYR 47 HN TYR 47 16.036 5.421 19.101 341 HA TYR 47 HA TYR 47 16.917 6.953 16.769 342 HB2 TYR 47 HB2 TYR 47 17.985 4.741 17.398 343 HB3 TYR 47 HB3 TYR 47 16.408 3.976 17.391 344 HD1 TYR 47 HD1 TYR 47 17.362 6.452 14.825 345 HD2 TYR 47 HD2 TYR 47 17.039 2.290 15.764 346 HE1 TYR 47 HE1 TYR 47 17.654 5.867 12.368 347 HE2 TYR 47 HE2 TYR 47 17.332 1.720 13.304 348 HH TYR 47 HH TYR 47 17.400 4.244 10.864 349 H ARG 48 HN ARG 48 15.586 7.382 15.035 350 HA ARG 48 HA ARG 48 13.089 5.982 14.890 351 HB2 ARG 48 HB2 ARG 48 11.990 8.398 14.535 352 HB3 ARG 48 HB3 ARG 48 12.136 7.710 16.140 353 HG2 ARG 48 HG2 ARG 48 13.639 9.293 16.806 354 HG3 ARG 48 HG3 ARG 48 14.586 9.137 15.340 355 HD2 ARG 48 HD2 ARG 48 13.526 10.900 14.309 356 HD3 ARG 48 HD3 ARG 48 11.948 10.438 14.914 357 HE ARG 48 HE ARG 48 13.454 11.358 17.140 358 HH11 ARG 48 HH22 ARG 48 12.108 12.671 14.138 359 HH12 ARG 48 HH21 ARG 48 11.925 14.272 14.774 360 HH22 ARG 48 HH1 ARG 48 12.582 14.718 17.035 361 H ARG 49 HN ARG 49 12.903 5.413 12.746 362 HA ARG 49 HA ARG 49 13.233 7.362 10.747 363 HB2 ARG 49 HB2 ARG 49 15.652 6.519 11.332 364 HB3 ARG 49 HB3 ARG 49 15.181 5.028 10.541 365 HG2 ARG 49 HG2 ARG 49 16.360 6.788 9.068 366 HG3 ARG 49 HG3 ARG 49 14.885 6.093 8.425 367 HD2 ARG 49 HD2 ARG 49 15.076 8.647 8.246 368 HD3 ARG 49 HD3 ARG 49 13.592 8.049 8.962 369 HE ARG 49 HE ARG 49 15.710 8.594 10.923 370 HH11 ARG 49 HH22 ARG 49 12.967 9.966 9.148 371 HH12 ARG 49 HH21 ARG 49 12.704 11.240 10.291 372 HH22 ARG 49 HH1 ARG 49 14.126 11.403 12.214 373 H CYS 50 HN CYS 50 12.750 6.379 8.518 374 HA CYS 50 HA CYS 50 11.700 3.696 8.596 375 HB2 CYS 50 HB2 CYS 50 9.909 6.078 8.079 376 HB3 CYS 50 HB3 CYS 50 9.494 4.424 7.673 377 H TRP 51 HN TRP 51 11.551 2.817 6.433 378 HA TRP 51 HA TRP 51 12.438 4.643 4.313 379 HB2 TRP 51 HB2 TRP 51 14.421 3.523 4.915 380 HB3 TRP 51 HB3 TRP 51 13.610 1.978 5.078 381 HD1 TRP 51 HD1 TRP 51 15.578 3.934 2.594 382 HE1 TRP 51 HE1 TRP 51 15.614 2.832 0.196 383 HE3 TRP 51 HE3 TRP 51 11.825 0.621 3.486 384 HZ2 TRP 51 HZ2 TRP 51 14.103 0.744 -1.030 385 HZ3 TRP 51 HZ3 TRP 51 11.167 -0.914 1.635 386 HH2 TRP 51 HH2 TRP 51 12.239 -0.889 -0.562 Start of MODEL 18 1 H1 ARG 1 HN ARG 1 10.414 -5.027 0.879 2 HA ARG 1 HA ARG 1 7.828 -6.164 1.466 3 HB2 ARG 1 HB2 ARG 1 10.468 -7.100 2.572 4 HB3 ARG 1 HB3 ARG 1 9.135 -6.997 3.705 5 HG2 ARG 1 HG2 ARG 1 8.851 -8.421 1.027 6 HG3 ARG 1 HG3 ARG 1 9.461 -9.247 2.448 7 HD2 ARG 1 HD2 ARG 1 7.091 -7.841 3.264 8 HD3 ARG 1 HD3 ARG 1 6.709 -8.640 1.752 9 HE ARG 1 HE ARG 1 7.120 -9.931 4.293 10 HH11 ARG 1 HH22 ARG 1 7.752 -10.397 0.838 11 HH12 ARG 1 HH21 ARG 1 7.774 -12.125 0.948 12 HH22 ARG 1 HH1 ARG 1 7.417 -13.170 3.075 13 H TRP 2 HN TRP 2 7.392 -5.655 4.022 14 HA TRP 2 HA TRP 2 8.561 -3.039 4.636 15 HB2 TRP 2 HB2 TRP 2 6.633 -2.172 3.864 16 HB3 TRP 2 HB3 TRP 2 5.742 -3.670 4.042 17 HD1 TRP 2 HD1 TRP 2 4.350 -3.981 6.316 18 HE1 TRP 2 HE1 TRP 2 3.720 -2.463 8.380 19 HE3 TRP 2 HE3 TRP 2 7.690 -0.288 5.287 20 HZ2 TRP 2 HZ2 TRP 2 4.668 0.055 9.330 21 HZ3 TRP 2 HZ3 TRP 2 7.774 1.665 6.833 22 HH2 TRP 2 HH2 TRP 2 6.334 1.872 8.797 23 H CYS 3 HN CYS 3 9.592 -3.332 6.566 24 HA CYS 3 HA CYS 3 8.196 -4.971 8.548 25 HB2 CYS 3 HB2 CYS 3 10.986 -5.219 7.551 26 HB3 CYS 3 HB3 CYS 3 10.744 -5.391 9.278 27 H VAL 4 HN VAL 4 9.057 -4.400 10.843 28 HA VAL 4 HA VAL 4 10.248 -1.773 11.030 29 HB VAL 4 HB VAL 4 8.481 -0.710 12.117 30 HG11 VAL 4 HG11 VAL 4 8.154 -0.814 9.696 31 HG12 VAL 4 HG12 VAL 4 7.244 -2.335 9.868 32 HG13 VAL 4 HG13 VAL 4 6.587 -0.823 10.541 33 HG21 VAL 4 HG21 VAL 4 7.533 -2.099 13.670 34 HG22 VAL 4 HG22 VAL 4 6.256 -2.148 12.431 35 HG23 VAL 4 HG23 VAL 4 7.435 -3.477 12.548 36 H TYR 5 HN TYR 5 11.751 -1.901 12.611 37 HA TYR 5 HA TYR 5 11.304 -3.935 14.689 38 HB2 TYR 5 HB2 TYR 5 13.638 -2.836 13.081 39 HB3 TYR 5 HB3 TYR 5 13.988 -3.337 14.723 40 HD1 TYR 5 HD2 TYR 5 12.351 -5.739 15.081 41 HD2 TYR 5 HD1 TYR 5 14.555 -4.432 11.655 42 HE1 TYR 5 HE2 TYR 5 12.569 -8.146 14.294 43 HE2 TYR 5 HE1 TYR 5 14.766 -6.844 10.880 44 HH TYR 5 HH TYR 5 14.427 -9.366 12.731 45 H ALA 6 HN ALA 6 11.673 -3.395 16.870 46 HA ALA 6 HA ALA 6 12.434 -0.631 17.413 47 HB1 ALA 6 HB1 ALA 6 10.364 -0.017 18.030 48 HB2 ALA 6 HB2 ALA 6 9.749 -1.593 17.475 49 HB3 ALA 6 HB3 ALA 6 10.274 -1.386 19.163 50 H TYR 7 HN TYR 7 13.511 -0.372 19.405 51 HA TYR 7 HA TYR 7 13.679 -2.705 21.136 52 HB2 TYR 7 HB2 TYR 7 15.495 -2.801 19.328 53 HB3 TYR 7 HB3 TYR 7 16.027 -1.204 19.816 54 HD1 TYR 7 HD2 TYR 7 16.696 -0.966 22.372 55 HD2 TYR 7 HD1 TYR 7 16.547 -4.671 20.238 56 HE1 TYR 7 HE2 TYR 7 18.269 -2.016 24.071 57 HE2 TYR 7 HE1 TYR 7 18.120 -5.709 21.945 58 HH TYR 7 HH TYR 7 19.907 -3.889 24.087 59 H VAL 8 HN VAL 8 13.000 -1.804 23.031 60 HA VAL 8 HA VAL 8 14.144 0.815 23.711 61 HB VAL 8 HB VAL 8 11.620 -0.492 24.742 62 HG11 VAL 8 HG11 VAL 8 11.616 2.339 25.038 63 HG12 VAL 8 HG12 VAL 8 11.640 1.093 26.309 64 HG13 VAL 8 HG13 VAL 8 13.169 1.738 25.665 65 HG21 VAL 8 HG21 VAL 8 10.488 1.322 23.362 66 HG22 VAL 8 HG22 VAL 8 12.051 1.540 22.538 67 HG23 VAL 8 HG23 VAL 8 11.209 -0.026 22.450 68 H ARG 9 HN ARG 9 15.401 0.997 25.531 69 HA ARG 9 HA ARG 9 15.293 -1.158 27.430 70 HB2 ARG 9 HB2 ARG 9 17.048 -1.982 25.968 71 HB3 ARG 9 HB3 ARG 9 17.789 -0.399 25.847 72 HG2 ARG 9 HG2 ARG 9 18.639 -0.481 28.072 73 HG3 ARG 9 HG3 ARG 9 17.518 -1.738 28.556 74 HD2 ARG 9 HD2 ARG 9 18.933 -3.391 27.877 75 HD3 ARG 9 HD3 ARG 9 19.172 -2.644 26.310 76 HE ARG 9 HE ARG 9 21.076 -1.488 27.143 77 HH11 ARG 9 HH22 ARG 9 19.442 -3.258 29.741 78 HH12 ARG 9 HH21 ARG 9 20.759 -3.090 30.853 79 HH22 ARG 9 HH1 ARG 9 22.732 -1.915 30.167 80 H ILE 10 HN ILE 10 15.268 -0.224 29.455 81 HA ILE 10 HA ILE 10 16.960 2.058 29.966 82 HB ILE 10 HB ILE 10 14.084 2.412 30.676 83 HG12 ILE 10 HG12 ILE 10 15.239 3.119 27.962 84 HG13 ILE 10 HG13 ILE 10 14.072 1.848 28.267 85 HG21 ILE 10 HG21 ILE 10 15.696 4.686 29.757 86 HG22 ILE 10 HG22 ILE 10 14.711 4.487 31.226 87 HG23 ILE 10 HG23 ILE 10 16.370 3.845 31.173 88 HD11 ILE 10 HD11 ILE 10 13.143 4.132 27.487 89 HD12 ILE 10 HD12 ILE 10 12.367 3.396 28.910 90 HD13 ILE 10 HD13 ILE 10 13.540 4.718 29.121 91 H ARG 11 HN ARG 11 17.282 2.414 32.259 92 HA ARG 11 HA ARG 11 17.606 1.745 34.286 93 HB2 ARG 11 HB2 ARG 11 14.793 0.757 33.805 94 HB3 ARG 11 HB3 ARG 11 15.592 0.232 35.274 95 HG2 ARG 11 HG2 ARG 11 14.979 2.211 36.202 96 HG3 ARG 11 HG3 ARG 11 16.171 2.980 35.172 97 HD2 ARG 11 HD2 ARG 11 14.496 3.368 33.416 98 HD3 ARG 11 HD3 ARG 11 13.301 2.425 34.283 99 HE ARG 11 HE ARG 11 14.182 4.473 36.045 100 HH11 ARG 11 HH22 ARG 11 12.421 4.198 32.983 101 HH12 ARG 11 HH21 ARG 11 11.511 5.651 33.233 102 HH22 ARG 11 HH1 ARG 11 11.857 6.923 35.234 103 H GLY 12 HN GLY 12 15.665 -1.181 33.404 104 HA2 GLY 12 HA1 GLY 12 18.026 -2.796 32.978 105 HA3 GLY 12 HA2 GLY 12 17.208 -3.104 34.497 106 H VAL 13 HN VAL 13 15.356 -1.945 31.699 107 HA VAL 13 HA VAL 13 14.267 -4.661 31.409 108 HB VAL 13 HB VAL 13 12.842 -2.007 31.138 109 HG11 VAL 13 HG11 VAL 13 11.976 -4.871 30.746 110 HG12 VAL 13 HG12 VAL 13 10.807 -3.609 31.202 111 HG13 VAL 13 HG13 VAL 13 11.727 -3.463 29.686 112 HG21 VAL 13 HG21 VAL 13 13.412 -3.662 33.456 113 HG22 VAL 13 HG22 VAL 13 12.653 -2.054 33.364 114 HG23 VAL 13 HG23 VAL 13 11.659 -3.520 33.182 115 H LEU 14 HN LEU 14 13.604 -5.281 29.243 116 HA LEU 14 HA LEU 14 14.567 -3.521 27.127 117 HB2 LEU 14 HB2 LEU 14 16.477 -4.866 27.558 118 HB3 LEU 14 HB3 LEU 14 15.521 -6.332 27.642 119 HG LEU 14 HG LEU 14 15.366 -6.551 25.366 120 HD11 LEU 14 HD11 LEU 14 15.890 -4.446 23.855 121 HD12 LEU 14 HD12 LEU 14 14.274 -4.715 24.553 122 HD13 LEU 14 HD13 LEU 14 15.395 -3.563 25.319 123 HD21 LEU 14 HD21 LEU 14 17.549 -5.982 24.331 124 HD22 LEU 14 HD22 LEU 14 17.939 -5.004 25.767 125 HD23 LEU 14 HD23 LEU 14 17.699 -6.760 25.925 126 H VAL 15 HN VAL 15 12.890 -3.228 25.771 127 HA VAL 15 HA VAL 15 11.095 -5.524 25.389 128 HB VAL 15 HB VAL 15 10.151 -2.705 25.087 129 HG11 VAL 15 HG11 VAL 15 8.989 -5.227 24.850 130 HG12 VAL 15 HG12 VAL 15 8.416 -4.632 26.427 131 HG13 VAL 15 HG13 VAL 15 8.135 -3.669 24.956 132 HG21 VAL 15 HG21 VAL 15 10.969 -3.981 27.642 133 HG22 VAL 15 HG22 VAL 15 10.836 -2.261 27.204 134 HG23 VAL 15 HG23 VAL 15 9.376 -3.186 27.633 135 H ARG 16 HN ARG 16 12.033 -6.326 23.506 136 HA ARG 16 HA ARG 16 12.618 -4.436 21.428 137 HB2 ARG 16 HB2 ARG 16 12.947 -7.469 21.628 138 HB3 ARG 16 HB3 ARG 16 13.387 -6.556 20.198 139 HG2 ARG 16 HG2 ARG 16 14.902 -5.124 21.676 140 HG3 ARG 16 HG3 ARG 16 14.560 -6.224 22.997 141 HD2 ARG 16 HD2 ARG 16 16.547 -6.525 20.981 142 HD3 ARG 16 HD3 ARG 16 16.134 -7.673 22.239 143 HE ARG 16 HE ARG 16 15.257 -7.757 19.425 144 HH11 ARG 16 HH22 ARG 16 14.751 -9.014 22.699 145 HH12 ARG 16 HH21 ARG 16 13.940 -10.446 22.158 146 HH22 ARG 16 HH1 ARG 16 13.620 -10.796 19.809 147 H TYR 17 HN TYR 17 10.788 -3.717 20.338 148 HA TYR 17 HA TYR 17 8.613 -5.582 19.875 149 HB2 TYR 17 HB2 TYR 17 8.776 -2.931 20.540 150 HB3 TYR 17 HB3 TYR 17 8.856 -2.743 18.800 151 HD1 TYR 17 HD2 TYR 17 6.939 -3.576 17.375 152 HD2 TYR 17 HD1 TYR 17 6.710 -3.390 21.643 153 HE1 TYR 17 HE2 TYR 17 4.404 -3.709 17.251 154 HE2 TYR 17 HE1 TYR 17 4.175 -3.523 21.505 155 HH TYR 17 HH TYR 17 2.512 -3.176 18.513 156 H ARG 18 HN ARG 18 7.710 -5.965 17.739 157 HA ARG 18 HA ARG 18 9.347 -5.176 15.529 158 HB2 ARG 18 HB2 ARG 18 9.262 -7.735 14.773 159 HB3 ARG 18 HB3 ARG 18 10.553 -7.163 15.811 160 HG2 ARG 18 HG2 ARG 18 9.379 -7.971 17.815 161 HG3 ARG 18 HG3 ARG 18 7.965 -8.393 16.868 162 HD2 ARG 18 HD2 ARG 18 8.863 -10.463 16.596 163 HD3 ARG 18 HD3 ARG 18 10.079 -9.737 15.565 164 HE ARG 18 HE ARG 18 11.637 -9.801 17.348 165 HH11 ARG 18 HH22 ARG 18 8.413 -10.713 18.501 166 HH12 ARG 18 HH21 ARG 18 8.990 -11.307 20.022 167 HH22 ARG 18 HH1 ARG 18 11.336 -11.222 20.503 168 H ARG 19 HN ARG 19 8.275 -5.946 13.384 169 HA ARG 19 HA ARG 19 5.766 -7.049 13.374 170 HB2 ARG 19 HB2 ARG 19 5.309 -4.754 14.554 171 HB3 ARG 19 HB3 ARG 19 5.573 -4.033 12.979 172 HG2 ARG 19 HG2 ARG 19 3.653 -6.358 13.201 173 HG3 ARG 19 HG3 ARG 19 3.127 -4.781 13.754 174 HD2 ARG 19 HD2 ARG 19 4.333 -4.217 11.280 175 HD3 ARG 19 HD3 ARG 19 3.539 -5.754 10.995 176 HE ARG 19 HE ARG 19 1.464 -4.684 11.161 177 HH11 ARG 19 HH22 ARG 19 3.934 -2.597 12.609 178 HH12 ARG 19 HH21 ARG 19 2.853 -1.261 12.829 179 HH22 ARG 19 HH1 ARG 19 0.567 -1.476 12.142 180 H CYS 20 HN CYS 20 4.897 -7.149 11.157 181 HA CYS 20 HA CYS 20 6.370 -5.715 9.134 182 HB2 CYS 20 HB2 CYS 20 6.408 -8.737 9.266 183 HB3 CYS 20 HB3 CYS 20 6.887 -7.794 7.869 184 H TRP 21 HN TRP 21 5.130 -5.587 7.161 185 HA TRP 21 HA TRP 21 2.671 -7.107 7.017 186 HB2 TRP 21 HB2 TRP 21 1.823 -5.357 8.330 187 HB3 TRP 21 HB3 TRP 21 2.740 -4.135 7.472 188 HD1 TRP 21 HD1 TRP 21 -0.665 -5.604 7.546 189 HE1 TRP 21 HE1 TRP 21 -2.170 -4.868 5.507 190 HE3 TRP 21 HE3 TRP 21 3.133 -3.692 4.757 191 HZ2 TRP 21 HZ2 TRP 21 -1.615 -3.597 3.012 192 HZ3 TRP 21 HZ3 TRP 21 2.566 -2.722 2.532 193 HH2 TRP 21 HH2 TRP 21 0.287 -2.656 1.650 194 H1 ARG 31 HN ARG 31 8.213 -0.941 3.543 195 HA ARG 31 HA ARG 31 10.293 1.006 3.228 196 HB2 ARG 31 HB2 ARG 31 7.657 1.562 4.562 197 HB3 ARG 31 HB3 ARG 31 9.081 2.141 5.403 198 HG2 ARG 31 HG2 ARG 31 8.065 3.806 3.767 199 HG3 ARG 31 HG3 ARG 31 9.772 3.492 3.524 200 HD2 ARG 31 HD2 ARG 31 8.748 3.413 1.338 201 HD3 ARG 31 HD3 ARG 31 9.122 1.755 1.764 202 HE ARG 31 HE ARG 31 6.525 2.134 2.713 203 HH11 ARG 31 HH22 ARG 31 8.104 2.443 -0.444 204 HH12 ARG 31 HH21 ARG 31 6.671 2.062 -1.337 205 HH22 ARG 31 HH1 ARG 31 4.641 1.587 -0.154 206 H TRP 32 HN TRP 32 11.084 1.521 5.749 207 HA TRP 32 HA TRP 32 10.842 -0.912 7.331 208 HB2 TRP 32 HB2 TRP 32 13.300 -0.024 5.915 209 HB3 TRP 32 HB3 TRP 32 13.488 -0.574 7.569 210 HD1 TRP 32 HD1 TRP 32 12.391 -1.910 4.109 211 HE1 TRP 32 HE1 TRP 32 12.491 -4.546 4.035 212 HE3 TRP 32 HE3 TRP 32 13.395 -2.535 9.055 213 HZ2 TRP 32 HZ2 TRP 32 12.968 -6.552 6.009 214 HZ3 TRP 32 HZ3 TRP 32 13.663 -4.865 9.900 215 HH2 TRP 32 HH2 TRP 32 13.465 -6.833 8.465 216 H CYS 33 HN CYS 33 9.961 0.040 9.141 217 HA CYS 33 HA CYS 33 10.887 2.669 9.899 218 HB2 CYS 33 HB2 CYS 33 8.583 0.927 10.590 219 HB3 CYS 33 HB3 CYS 33 9.150 2.010 11.845 220 H VAL 34 HN VAL 34 11.695 3.062 12.142 221 HA VAL 34 HA VAL 34 12.582 0.730 13.601 222 HB VAL 34 HB VAL 34 14.928 1.516 13.634 223 HG11 VAL 34 HG11 VAL 34 13.893 -0.238 12.001 224 HG12 VAL 34 HG12 VAL 34 14.199 0.999 10.758 225 HG13 VAL 34 HG13 VAL 34 15.549 0.351 11.720 226 HG21 VAL 34 HG21 VAL 34 14.437 3.873 12.955 227 HG22 VAL 34 HG22 VAL 34 15.750 3.113 12.024 228 HG23 VAL 34 HG23 VAL 34 14.133 3.288 11.301 229 H TYR 35 HN TYR 35 12.275 1.126 15.735 230 HA TYR 35 HA TYR 35 12.601 3.864 16.681 231 HB2 TYR 35 HB2 TYR 35 10.130 2.947 15.959 232 HB3 TYR 35 HB3 TYR 35 10.219 2.159 17.522 233 HD1 TYR 35 HD2 TYR 35 10.667 3.646 19.589 234 HD2 TYR 35 HD1 TYR 35 9.466 5.201 15.788 235 HE1 TYR 35 HE2 TYR 35 9.881 5.790 20.706 236 HE2 TYR 35 HE1 TYR 35 8.684 7.340 16.918 237 HH TYR 35 HH TYR 35 9.366 8.565 19.115 238 H ALA 36 HN ALA 36 14.196 3.577 18.176 239 HA ALA 36 HA ALA 36 13.746 1.436 20.136 240 HB1 ALA 36 HB1 ALA 36 15.525 0.635 18.765 241 HB2 ALA 36 HB2 ALA 36 16.294 2.238 18.693 242 HB3 ALA 36 HB3 ALA 36 16.306 1.313 20.214 243 H TYR 37 HN TYR 37 14.842 1.909 22.265 244 HA TYR 37 HA TYR 37 15.480 4.704 22.698 245 HB2 TYR 37 HB2 TYR 37 12.887 4.105 22.884 246 HB3 TYR 37 HB3 TYR 37 13.342 3.221 24.327 247 HD1 TYR 37 HD2 TYR 37 14.621 4.557 26.169 248 HD2 TYR 37 HD1 TYR 37 12.392 6.393 23.013 249 HE1 TYR 37 HE2 TYR 37 14.452 6.700 27.527 250 HE2 TYR 37 HE1 TYR 37 12.230 8.530 24.381 251 HH TYR 37 HH TYR 37 12.342 8.906 27.152 252 H VAL 38 HN VAL 38 17.582 3.563 23.045 253 HA VAL 38 HA VAL 38 17.624 2.076 25.568 254 HB VAL 38 HB VAL 38 19.628 2.302 23.314 255 HG11 VAL 38 HG11 VAL 38 19.739 0.696 25.889 256 HG12 VAL 38 HG12 VAL 38 20.852 0.498 24.514 257 HG13 VAL 38 HG13 VAL 38 20.812 2.034 25.412 258 HG21 VAL 38 HG21 VAL 38 19.026 -0.300 23.379 259 HG22 VAL 38 HG22 VAL 38 17.490 0.338 24.015 260 HG23 VAL 38 HG23 VAL 38 18.084 0.870 22.423 261 H ARG 39 HN ARG 39 18.924 2.754 27.307 262 HA ARG 39 HA ARG 39 20.261 5.294 26.900 263 HB2 ARG 39 HB2 ARG 39 17.895 5.491 27.998 264 HB3 ARG 39 HB3 ARG 39 18.613 4.730 29.404 265 HG2 ARG 39 HG2 ARG 39 20.269 6.537 29.610 266 HG3 ARG 39 HG3 ARG 39 19.737 7.253 28.102 267 HD2 ARG 39 HD2 ARG 39 18.332 8.530 29.365 268 HD3 ARG 39 HD3 ARG 39 17.353 7.088 29.547 269 HE ARG 39 HE ARG 39 19.451 6.992 31.488 270 HH11 ARG 39 HH22 ARG 39 16.506 8.835 30.792 271 HH12 ARG 39 HH21 ARG 39 16.212 9.229 32.453 272 HH22 ARG 39 HH1 ARG 39 17.728 8.440 34.133 273 H ILE 40 HN ILE 40 22.231 5.473 28.046 274 HA ILE 40 HA ILE 40 22.767 3.538 30.140 275 HB ILE 40 HB ILE 40 24.107 3.570 27.466 276 HG12 ILE 40 HG12 ILE 40 22.543 1.724 29.064 277 HG13 ILE 40 HG13 ILE 40 22.967 1.657 27.365 278 HG21 ILE 40 HG21 ILE 40 26.052 2.412 28.404 279 HG22 ILE 40 HG22 ILE 40 25.910 4.072 29.031 280 HG23 ILE 40 HG23 ILE 40 25.430 2.692 30.048 281 HD11 ILE 40 HD11 ILE 40 23.877 -0.289 28.637 282 HD12 ILE 40 HD12 ILE 40 25.173 0.690 27.909 283 HD13 ILE 40 HD13 ILE 40 24.821 0.832 29.648 284 H ARG 41 HN ARG 41 24.851 4.085 31.292 285 HA ARG 41 HA ARG 41 25.825 5.601 32.523 286 HB2 ARG 41 HB2 ARG 41 26.541 6.483 29.695 287 HB3 ARG 41 HB3 ARG 41 27.245 7.281 31.088 288 HG2 ARG 41 HG2 ARG 41 27.375 4.266 30.608 289 HG3 ARG 41 HG3 ARG 41 28.647 5.382 30.155 290 HD2 ARG 41 HD2 ARG 41 28.005 5.964 32.887 291 HD3 ARG 41 HD3 ARG 41 28.097 4.218 32.763 292 HE ARG 41 HE ARG 41 30.312 5.529 31.392 293 HH11 ARG 41 HH22 ARG 41 29.170 4.436 34.563 294 HH12 ARG 41 HH21 ARG 41 30.764 4.291 35.226 295 HH22 ARG 41 HH1 ARG 41 32.657 4.828 33.857 296 H GLY 42 HN GLY 42 25.381 8.028 29.918 297 HA2 GLY 42 HA1 GLY 42 23.174 9.311 31.328 298 HA3 GLY 42 HA2 GLY 42 24.693 10.184 31.296 299 H VAL 43 HN VAL 43 23.580 7.990 28.682 300 HA VAL 43 HA VAL 43 22.967 10.338 27.046 301 HB VAL 43 HB VAL 43 24.466 8.083 25.810 302 HG11 VAL 43 HG11 VAL 43 24.304 9.523 24.110 303 HG12 VAL 43 HG12 VAL 43 23.705 10.814 25.180 304 HG13 VAL 43 HG13 VAL 43 25.456 10.570 24.974 305 HG21 VAL 43 HG21 VAL 43 25.944 8.322 27.604 306 HG22 VAL 43 HG22 VAL 43 26.614 9.424 26.377 307 HG23 VAL 43 HG23 VAL 43 25.662 10.074 27.734 308 H LEU 44 HN LEU 44 20.946 10.129 26.248 309 HA LEU 44 HA LEU 44 19.852 7.420 26.111 310 HB2 LEU 44 HB2 LEU 44 18.368 8.548 27.377 311 HB3 LEU 44 HB3 LEU 44 18.771 10.107 26.687 312 HG LEU 44 HG LEU 44 17.460 9.537 24.659 313 HD11 LEU 44 HD11 LEU 44 15.781 7.509 25.279 314 HD12 LEU 44 HD12 LEU 44 17.252 7.324 24.295 315 HD13 LEU 44 HD13 LEU 44 17.284 6.920 26.028 316 HD21 LEU 44 HD21 LEU 44 15.403 9.090 26.683 317 HD22 LEU 44 HD22 LEU 44 16.552 10.372 27.134 318 HD23 LEU 44 HD23 LEU 44 15.666 10.473 25.594 319 H VAL 45 HN VAL 45 19.898 6.429 24.174 320 HA VAL 45 HA VAL 45 20.020 8.143 21.805 321 HB VAL 45 HB VAL 45 20.530 5.180 21.927 322 HG11 VAL 45 HG11 VAL 45 22.181 5.978 20.055 323 HG12 VAL 45 HG12 VAL 45 20.445 5.810 19.697 324 HG13 VAL 45 HG13 VAL 45 21.138 7.419 20.013 325 HG21 VAL 45 HG21 VAL 45 22.241 7.408 22.932 326 HG22 VAL 45 HG22 VAL 45 22.129 5.714 23.467 327 HG23 VAL 45 HG23 VAL 45 23.036 6.123 21.991 328 H ARG 46 HN ARG 46 18.015 8.618 21.040 329 HA ARG 46 HA ARG 46 16.134 6.395 21.015 330 HB2 ARG 46 HB2 ARG 46 15.433 9.370 20.933 331 HB3 ARG 46 HB3 ARG 46 14.318 8.036 21.155 332 HG2 ARG 46 HG2 ARG 46 15.402 7.461 23.320 333 HG3 ARG 46 HG3 ARG 46 16.571 8.746 23.094 334 HD2 ARG 46 HD2 ARG 46 13.582 9.328 23.088 335 HD3 ARG 46 HD3 ARG 46 14.481 9.236 24.589 336 HE ARG 46 HE ARG 46 15.958 10.950 22.899 337 HH11 ARG 46 HH22 ARG 46 12.749 10.919 24.399 338 HH12 ARG 46 HH21 ARG 46 12.633 12.645 24.480 339 HH22 ARG 46 HH1 ARG 46 14.443 13.983 23.654 340 H TYR 47 HN TYR 47 15.948 5.563 18.957 341 HA TYR 47 HA TYR 47 16.439 7.373 16.711 342 HB2 TYR 47 HB2 TYR 47 17.592 5.054 17.183 343 HB3 TYR 47 HB3 TYR 47 16.035 4.325 16.842 344 HD1 TYR 47 HD1 TYR 47 14.965 5.388 14.508 345 HD2 TYR 47 HD2 TYR 47 19.114 4.930 15.448 346 HE1 TYR 47 HE1 TYR 47 15.531 5.357 12.030 347 HE2 TYR 47 HE2 TYR 47 19.665 4.900 12.966 348 HH TYR 47 HH TYR 47 17.277 4.517 10.595 349 H ARG 48 HN ARG 48 14.878 7.879 15.205 350 HA ARG 48 HA ARG 48 12.469 6.328 15.205 351 HB2 ARG 48 HB2 ARG 48 11.187 8.675 15.257 352 HB3 ARG 48 HB3 ARG 48 11.587 7.847 16.749 353 HG2 ARG 48 HG2 ARG 48 13.044 9.479 17.391 354 HG3 ARG 48 HG3 ARG 48 13.824 9.515 15.822 355 HD2 ARG 48 HD2 ARG 48 12.540 11.656 16.613 356 HD3 ARG 48 HD3 ARG 48 12.322 11.128 14.957 357 HE ARG 48 HE ARG 48 10.363 9.873 16.674 358 HH11 ARG 48 HH22 ARG 48 11.115 12.956 15.097 359 HH12 ARG 48 HH21 ARG 48 9.462 13.471 15.039 360 HH22 ARG 48 HH1 ARG 48 7.755 12.042 15.927 361 H ARG 49 HN ARG 49 12.465 5.834 13.020 362 HA ARG 49 HA ARG 49 11.887 7.772 11.171 363 HB2 ARG 49 HB2 ARG 49 14.433 8.229 11.636 364 HB3 ARG 49 HB3 ARG 49 14.725 6.755 10.735 365 HG2 ARG 49 HG2 ARG 49 14.756 8.986 9.408 366 HG3 ARG 49 HG3 ARG 49 13.852 7.652 8.717 367 HD2 ARG 49 HD2 ARG 49 12.638 9.906 8.718 368 HD3 ARG 49 HD3 ARG 49 11.738 8.576 9.418 369 HE ARG 49 HE ARG 49 13.345 10.106 11.354 370 HH11 ARG 49 HH22 ARG 49 10.182 9.761 9.795 371 HH12 ARG 49 HH21 ARG 49 9.336 10.615 11.042 372 HH22 ARG 49 HH1 ARG 49 10.559 11.471 12.916 373 H CYS 50 HN CYS 50 12.108 6.788 8.807 374 HA CYS 50 HA CYS 50 12.241 3.890 8.894 375 HB2 CYS 50 HB2 CYS 50 9.882 5.156 7.540 376 HB3 CYS 50 HB3 CYS 50 10.123 3.488 8.019 377 H TRP 51 HN TRP 51 12.514 2.988 6.674 378 HA TRP 51 HA TRP 51 13.554 5.040 4.843 379 HB2 TRP 51 HB2 TRP 51 15.366 3.729 5.499 380 HB3 TRP 51 HB3 TRP 51 14.440 2.241 5.471 381 HD1 TRP 51 HD1 TRP 51 16.460 4.518 3.166 382 HE1 TRP 51 HE1 TRP 51 16.811 3.438 0.784 383 HE3 TRP 51 HE3 TRP 51 13.220 0.661 3.859 384 HZ2 TRP 51 HZ2 TRP 51 15.718 1.143 -0.514 385 HZ3 TRP 51 HZ3 TRP 51 12.920 -0.954 1.985 386 HH2 TRP 51 HH2 TRP 51 14.105 -0.760 -0.144 Start of MODEL 19 1 H1 ARG 1 HN ARG 1 10.123 -6.637 0.430 2 HA ARG 1 HA ARG 1 7.734 -6.952 2.017 3 HB2 ARG 1 HB2 ARG 1 9.557 -8.772 1.769 4 HB3 ARG 1 HB3 ARG 1 10.587 -7.755 2.757 5 HG2 ARG 1 HG2 ARG 1 9.621 -9.114 4.397 6 HG3 ARG 1 HG3 ARG 1 8.531 -7.742 4.430 7 HD2 ARG 1 HD2 ARG 1 6.836 -9.208 4.033 8 HD3 ARG 1 HD3 ARG 1 7.456 -9.367 2.402 9 HE ARG 1 HE ARG 1 8.471 -11.431 2.983 10 HH11 ARG 1 HH22 ARG 1 7.123 -9.862 5.859 11 HH12 ARG 1 HH21 ARG 1 7.274 -11.273 6.852 12 HH22 ARG 1 HH1 ARG 1 8.187 -13.279 5.910 13 H TRP 2 HN TRP 2 7.390 -5.825 3.995 14 HA TRP 2 HA TRP 2 9.471 -3.911 4.762 15 HB2 TRP 2 HB2 TRP 2 6.631 -3.025 4.875 16 HB3 TRP 2 HB3 TRP 2 8.102 -2.084 4.726 17 HD1 TRP 2 HD1 TRP 2 5.372 -3.610 2.611 18 HE1 TRP 2 HE1 TRP 2 5.719 -3.152 0.035 19 HE3 TRP 2 HE3 TRP 2 10.126 -1.857 3.029 20 HZ2 TRP 2 HZ2 TRP 2 7.894 -2.130 -1.503 21 HZ3 TRP 2 HZ3 TRP 2 11.291 -1.149 0.941 22 HH2 TRP 2 HH2 TRP 2 10.251 -1.264 -1.268 23 H CYS 3 HN CYS 3 9.544 -3.533 7.038 24 HA CYS 3 HA CYS 3 7.526 -4.811 8.658 25 HB2 CYS 3 HB2 CYS 3 10.400 -5.724 8.619 26 HB3 CYS 3 HB3 CYS 3 9.366 -5.953 10.015 27 H VAL 4 HN VAL 4 8.630 -4.515 11.154 28 HA VAL 4 HA VAL 4 9.926 -1.912 11.243 29 HB VAL 4 HB VAL 4 8.271 -0.798 12.316 30 HG11 VAL 4 HG11 VAL 4 7.367 -1.269 10.132 31 HG12 VAL 4 HG12 VAL 4 6.749 -2.848 10.674 32 HG13 VAL 4 HG13 VAL 4 6.041 -1.347 11.316 33 HG21 VAL 4 HG21 VAL 4 7.918 -2.026 14.264 34 HG22 VAL 4 HG22 VAL 4 6.324 -2.081 13.474 35 HG23 VAL 4 HG23 VAL 4 7.413 -3.485 13.378 36 H TYR 5 HN TYR 5 11.450 -1.845 12.842 37 HA TYR 5 HA TYR 5 11.296 -3.978 14.864 38 HB2 TYR 5 HB2 TYR 5 13.446 -2.894 13.007 39 HB3 TYR 5 HB3 TYR 5 13.971 -3.395 14.601 40 HD1 TYR 5 HD1 TYR 5 12.265 -4.597 11.516 41 HD2 TYR 5 HD2 TYR 5 14.298 -5.688 15.119 42 HE1 TYR 5 HE1 TYR 5 12.383 -7.011 10.727 43 HE2 TYR 5 HE2 TYR 5 14.409 -8.098 14.318 44 HH TYR 5 HH TYR 5 14.410 -9.247 12.070 45 H ALA 6 HN ALA 6 11.301 -3.280 16.946 46 HA ALA 6 HA ALA 6 12.401 -0.601 17.438 47 HB1 ALA 6 HB1 ALA 6 10.363 0.107 18.057 48 HB2 ALA 6 HB2 ALA 6 9.676 -1.485 17.655 49 HB3 ALA 6 HB3 ALA 6 10.299 -1.173 19.293 50 H TYR 7 HN TYR 7 13.409 -0.324 19.510 51 HA TYR 7 HA TYR 7 13.606 -2.680 21.195 52 HB2 TYR 7 HB2 TYR 7 15.406 -2.786 19.378 53 HB3 TYR 7 HB3 TYR 7 15.948 -1.188 19.853 54 HD1 TYR 7 HD1 TYR 7 16.555 -0.977 22.464 55 HD2 TYR 7 HD2 TYR 7 16.557 -4.618 20.218 56 HE1 TYR 7 HE1 TYR 7 18.145 -2.024 24.149 57 HE2 TYR 7 HE2 TYR 7 18.147 -5.653 21.910 58 HH TYR 7 HH TYR 7 19.839 -4.835 23.522 59 H VAL 8 HN VAL 8 13.043 -1.846 23.147 60 HA VAL 8 HA VAL 8 14.202 0.768 23.832 61 HB VAL 8 HB VAL 8 11.672 -0.461 24.930 62 HG11 VAL 8 HG11 VAL 8 11.722 2.393 25.021 63 HG12 VAL 8 HG12 VAL 8 11.716 1.236 26.373 64 HG13 VAL 8 HG13 VAL 8 13.260 1.791 25.684 65 HG21 VAL 8 HG21 VAL 8 12.152 0.995 22.401 66 HG22 VAL 8 HG22 VAL 8 10.817 -0.084 22.873 67 HG23 VAL 8 HG23 VAL 8 10.811 1.619 23.391 68 H ARG 9 HN ARG 9 15.467 0.894 25.650 69 HA ARG 9 HA ARG 9 15.303 -1.279 27.524 70 HB2 ARG 9 HB2 ARG 9 17.050 -2.229 26.244 71 HB3 ARG 9 HB3 ARG 9 17.709 -0.669 25.791 72 HG2 ARG 9 HG2 ARG 9 18.610 -0.315 28.036 73 HG3 ARG 9 HG3 ARG 9 17.774 -1.726 28.653 74 HD2 ARG 9 HD2 ARG 9 19.518 -3.052 28.060 75 HD3 ARG 9 HD3 ARG 9 19.343 -2.573 26.384 76 HE ARG 9 HE ARG 9 20.654 -0.411 27.378 77 HH11 ARG 9 HH22 ARG 9 21.272 -3.870 27.832 78 HH12 ARG 9 HH21 ARG 9 22.978 -3.663 28.053 79 HH22 ARG 9 HH1 ARG 9 23.915 -1.459 27.954 80 H ILE 10 HN ILE 10 15.263 -0.347 29.547 81 HA ILE 10 HA ILE 10 17.033 1.868 30.098 82 HB ILE 10 HB ILE 10 14.156 2.306 30.767 83 HG12 ILE 10 HG12 ILE 10 15.401 3.012 28.092 84 HG13 ILE 10 HG13 ILE 10 14.167 1.795 28.352 85 HG21 ILE 10 HG21 ILE 10 15.623 4.632 29.966 86 HG22 ILE 10 HG22 ILE 10 14.953 4.215 31.562 87 HG23 ILE 10 HG23 ILE 10 16.599 3.697 31.124 88 HD11 ILE 10 HD11 ILE 10 12.689 3.484 27.949 89 HD12 ILE 10 HD12 ILE 10 13.048 3.998 29.615 90 HD13 ILE 10 HD13 ILE 10 13.912 4.741 28.248 91 H ARG 11 HN ARG 11 17.312 2.214 32.408 92 HA ARG 11 HA ARG 11 17.577 1.527 34.438 93 HB2 ARG 11 HB2 ARG 11 14.763 0.609 33.875 94 HB3 ARG 11 HB3 ARG 11 15.515 -0.009 35.332 95 HG2 ARG 11 HG2 ARG 11 14.949 1.939 36.349 96 HG3 ARG 11 HG3 ARG 11 16.166 2.729 35.367 97 HD2 ARG 11 HD2 ARG 11 14.585 3.444 33.741 98 HD3 ARG 11 HD3 ARG 11 13.408 2.231 34.206 99 HE ARG 11 HE ARG 11 13.742 3.803 36.498 100 HH11 ARG 11 HH22 ARG 11 12.756 4.405 33.148 101 HH12 ARG 11 HH21 ARG 11 11.746 5.751 33.556 102 HH22 ARG 11 HH1 ARG 11 11.557 6.424 35.849 103 H GLY 12 HN GLY 12 15.637 -1.376 33.482 104 HA2 GLY 12 HA1 GLY 12 17.987 -3.004 33.079 105 HA3 GLY 12 HA2 GLY 12 17.156 -3.315 34.590 106 H VAL 13 HN VAL 13 15.346 -2.133 31.771 107 HA VAL 13 HA VAL 13 14.269 -4.847 31.428 108 HB VAL 13 HB VAL 13 12.769 -2.231 31.214 109 HG11 VAL 13 HG11 VAL 13 10.775 -3.801 31.302 110 HG12 VAL 13 HG12 VAL 13 11.739 -3.850 29.807 111 HG13 VAL 13 HG13 VAL 13 11.922 -5.134 31.026 112 HG21 VAL 13 HG21 VAL 13 13.492 -3.790 33.546 113 HG22 VAL 13 HG22 VAL 13 12.635 -2.234 33.442 114 HG23 VAL 13 HG23 VAL 13 11.725 -3.760 33.332 115 H LEU 14 HN LEU 14 13.529 -5.362 29.240 116 HA LEU 14 HA LEU 14 14.488 -3.524 27.190 117 HB2 LEU 14 HB2 LEU 14 16.374 -4.952 27.582 118 HB3 LEU 14 HB3 LEU 14 15.375 -6.390 27.512 119 HG LEU 14 HG LEU 14 15.226 -6.368 25.215 120 HD11 LEU 14 HD11 LEU 14 15.635 -3.384 25.382 121 HD12 LEU 14 HD12 LEU 14 15.774 -4.273 23.846 122 HD13 LEU 14 HD13 LEU 14 14.241 -4.294 24.750 123 HD21 LEU 14 HD21 LEU 14 17.542 -6.754 25.851 124 HD22 LEU 14 HD22 LEU 14 17.455 -5.911 24.286 125 HD23 LEU 14 HD23 LEU 14 17.881 -5.009 25.761 126 H VAL 15 HN VAL 15 12.714 -3.102 25.996 127 HA VAL 15 HA VAL 15 10.869 -5.347 25.551 128 HB VAL 15 HB VAL 15 10.071 -2.481 25.249 129 HG11 VAL 15 HG11 VAL 15 8.774 -4.934 25.001 130 HG12 VAL 15 HG12 VAL 15 8.239 -4.321 26.584 131 HG13 VAL 15 HG13 VAL 15 8.005 -3.333 25.122 132 HG21 VAL 15 HG21 VAL 15 10.727 -2.055 27.368 133 HG22 VAL 15 HG22 VAL 15 9.279 -2.991 27.809 134 HG23 VAL 15 HG23 VAL 15 10.875 -3.779 27.783 135 H ARG 16 HN ARG 16 11.768 -6.203 23.668 136 HA ARG 16 HA ARG 16 12.393 -4.348 21.566 137 HB2 ARG 16 HB2 ARG 16 12.769 -7.334 21.984 138 HB3 ARG 16 HB3 ARG 16 12.934 -6.660 20.374 139 HG2 ARG 16 HG2 ARG 16 14.541 -4.911 21.529 140 HG3 ARG 16 HG3 ARG 16 14.601 -6.071 22.842 141 HD2 ARG 16 HD2 ARG 16 16.460 -6.572 21.369 142 HD3 ARG 16 HD3 ARG 16 15.284 -7.853 21.158 143 HE ARG 16 HE ARG 16 14.797 -5.711 19.272 144 HH11 ARG 16 HH22 ARG 16 16.939 -8.470 19.872 145 HH12 ARG 16 HH21 ARG 16 17.318 -8.698 18.197 146 HH22 ARG 16 HH1 ARG 16 16.341 -7.242 16.563 147 H TYR 17 HN TYR 17 10.604 -3.607 20.435 148 HA TYR 17 HA TYR 17 8.374 -5.427 20.019 149 HB2 TYR 17 HB2 TYR 17 8.579 -2.784 20.689 150 HB3 TYR 17 HB3 TYR 17 8.664 -2.588 18.949 151 HD1 TYR 17 HD1 TYR 17 6.530 -3.855 21.716 152 HD2 TYR 17 HD2 TYR 17 6.708 -2.738 17.590 153 HE1 TYR 17 HE1 TYR 17 3.993 -3.941 21.576 154 HE2 TYR 17 HE2 TYR 17 4.170 -2.827 17.464 155 HH TYR 17 HH TYR 17 2.282 -4.128 20.072 156 H ARG 18 HN ARG 18 7.401 -5.679 17.858 157 HA ARG 18 HA ARG 18 9.127 -5.006 15.670 158 HB2 ARG 18 HB2 ARG 18 8.681 -7.815 16.663 159 HB3 ARG 18 HB3 ARG 18 8.674 -7.584 14.926 160 HG2 ARG 18 HG2 ARG 18 10.917 -6.828 14.877 161 HG3 ARG 18 HG3 ARG 18 10.904 -6.353 16.564 162 HD2 ARG 18 HD2 ARG 18 12.066 -8.332 16.820 163 HD3 ARG 18 HD3 ARG 18 10.452 -9.009 16.900 164 HE ARG 18 HE ARG 18 11.320 -8.823 14.148 165 HH11 ARG 18 HH22 ARG 18 11.782 -10.750 17.085 166 HH12 ARG 18 HH21 ARG 18 12.229 -12.184 16.223 167 HH22 ARG 18 HH1 ARG 18 12.298 -12.140 13.827 168 H ARG 19 HN ARG 19 7.973 -6.032 13.520 169 HA ARG 19 HA ARG 19 5.298 -6.619 13.619 170 HB2 ARG 19 HB2 ARG 19 5.433 -4.044 14.361 171 HB3 ARG 19 HB3 ARG 19 5.586 -3.768 12.637 172 HG2 ARG 19 HG2 ARG 19 3.396 -5.624 13.548 173 HG3 ARG 19 HG3 ARG 19 3.182 -3.913 13.865 174 HD2 ARG 19 HD2 ARG 19 4.129 -4.091 11.175 175 HD3 ARG 19 HD3 ARG 19 2.921 -5.350 11.340 176 HE ARG 19 HE ARG 19 1.337 -3.650 11.269 177 HH11 ARG 19 HH22 ARG 19 4.232 -2.369 12.860 178 HH12 ARG 19 HH21 ARG 19 3.541 -0.804 13.132 179 HH22 ARG 19 HH1 ARG 19 1.301 -0.366 12.400 180 H CYS 20 HN CYS 20 4.340 -6.693 11.374 181 HA CYS 20 HA CYS 20 6.196 -6.077 9.244 182 HB2 CYS 20 HB2 CYS 20 5.399 -8.869 10.003 183 HB3 CYS 20 HB3 CYS 20 5.683 -8.467 8.321 184 H TRP 21 HN TRP 21 5.058 -6.133 7.112 185 HA TRP 21 HA TRP 21 2.257 -5.481 7.475 186 HB2 TRP 21 HB2 TRP 21 4.154 -4.268 6.050 187 HB3 TRP 21 HB3 TRP 21 3.602 -5.387 4.820 188 HD1 TRP 21 HD1 TRP 21 1.951 -4.078 3.281 189 HE1 TRP 21 HE1 TRP 21 -0.066 -2.394 3.517 190 HE3 TRP 21 HE3 TRP 21 2.218 -3.648 8.341 191 HZ2 TRP 21 HZ2 TRP 21 -1.297 -1.100 5.743 192 HZ3 TRP 21 HZ3 TRP 21 0.572 -2.153 9.468 193 HH2 TRP 21 HH2 TRP 21 -1.142 -0.904 8.253 194 H1 ARG 31 HN ARG 31 5.880 -0.591 6.142 195 HA ARG 31 HA ARG 31 7.982 0.151 4.274 196 HB2 ARG 31 HB2 ARG 31 6.530 1.636 6.473 197 HB3 ARG 31 HB3 ARG 31 8.183 2.102 6.123 198 HG2 ARG 31 HG2 ARG 31 7.043 3.492 4.638 199 HG3 ARG 31 HG3 ARG 31 7.351 2.117 3.597 200 HD2 ARG 31 HD2 ARG 31 5.059 2.429 3.231 201 HD3 ARG 31 HD3 ARG 31 5.019 1.236 4.515 202 HE ARG 31 HE ARG 31 5.082 3.752 5.795 203 HH11 ARG 31 HH22 ARG 31 2.909 2.016 3.599 204 HH12 ARG 31 HH21 ARG 31 1.485 2.813 4.179 205 HH22 ARG 31 HH1 ARG 31 1.681 4.448 5.920 206 H TRP 32 HN TRP 32 9.909 1.218 5.943 207 HA TRP 32 HA TRP 32 10.556 -1.047 7.705 208 HB2 TRP 32 HB2 TRP 32 12.151 0.480 5.720 209 HB3 TRP 32 HB3 TRP 32 12.959 0.036 7.210 210 HD1 TRP 32 HD1 TRP 32 12.254 -1.365 3.871 211 HE1 TRP 32 HE1 TRP 32 12.709 -3.958 3.690 212 HE3 TRP 32 HE3 TRP 32 12.554 -2.195 8.879 213 HZ2 TRP 32 HZ2 TRP 32 13.134 -6.019 5.618 214 HZ3 TRP 32 HZ3 TRP 32 12.991 -4.526 9.646 215 HH2 TRP 32 HH2 TRP 32 13.278 -6.403 8.106 216 H CYS 33 HN CYS 33 9.456 -0.050 9.516 217 HA CYS 33 HA CYS 33 10.327 2.600 10.261 218 HB2 CYS 33 HB2 CYS 33 8.159 0.745 11.079 219 HB3 CYS 33 HB3 CYS 33 8.775 1.818 12.320 220 H VAL 34 HN VAL 34 11.382 3.013 12.359 221 HA VAL 34 HA VAL 34 12.410 0.716 13.777 222 HB VAL 34 HB VAL 34 14.691 1.163 13.449 223 HG11 VAL 34 HG11 VAL 34 13.606 -0.069 11.602 224 HG12 VAL 34 HG12 VAL 34 13.370 1.465 10.730 225 HG13 VAL 34 HG13 VAL 34 15.016 0.866 11.048 226 HG21 VAL 34 HG21 VAL 34 13.756 3.773 12.279 227 HG22 VAL 34 HG22 VAL 34 14.987 3.464 13.527 228 HG23 VAL 34 HG23 VAL 34 15.341 3.105 11.819 229 H TYR 35 HN TYR 35 12.155 1.175 15.897 230 HA TYR 35 HA TYR 35 12.704 3.896 16.783 231 HB2 TYR 35 HB2 TYR 35 10.145 3.150 16.179 232 HB3 TYR 35 HB3 TYR 35 10.245 2.375 17.747 233 HD1 TYR 35 HD2 TYR 35 10.569 3.747 19.806 234 HD2 TYR 35 HD1 TYR 35 9.951 5.543 15.973 235 HE1 TYR 35 HE2 TYR 35 9.986 5.954 20.926 236 HE2 TYR 35 HE1 TYR 35 9.371 7.744 17.106 237 HH TYR 35 HH TYR 35 9.675 8.106 20.604 238 H ALA 36 HN ALA 36 14.197 3.663 18.367 239 HA ALA 36 HA ALA 36 13.732 1.525 20.316 240 HB1 ALA 36 HB1 ALA 36 15.426 0.585 18.943 241 HB2 ALA 36 HB2 ALA 36 16.265 2.145 18.769 242 HB3 ALA 36 HB3 ALA 36 16.297 1.287 20.328 243 H TYR 37 HN TYR 37 14.782 1.978 22.430 244 HA TYR 37 HA TYR 37 15.632 4.735 22.797 245 HB2 TYR 37 HB2 TYR 37 13.028 4.338 23.038 246 HB3 TYR 37 HB3 TYR 37 13.424 3.372 24.445 247 HD1 TYR 37 HD1 TYR 37 14.628 4.486 26.398 248 HD2 TYR 37 HD2 TYR 37 12.899 6.705 23.174 249 HE1 TYR 37 HE1 TYR 37 14.634 6.587 27.830 250 HE2 TYR 37 HE2 TYR 37 12.911 8.798 24.616 251 HH TYR 37 HH TYR 37 12.910 9.376 26.945 252 H VAL 38 HN VAL 38 17.689 3.574 23.162 253 HA VAL 38 HA VAL 38 17.700 2.070 25.677 254 HB VAL 38 HB VAL 38 19.700 2.239 23.415 255 HG11 VAL 38 HG11 VAL 38 19.763 0.548 25.939 256 HG12 VAL 38 HG12 VAL 38 20.912 0.445 24.583 257 HG13 VAL 38 HG13 VAL 38 20.830 1.924 25.569 258 HG21 VAL 38 HG21 VAL 38 17.488 0.357 24.099 259 HG22 VAL 38 HG22 VAL 38 18.123 0.858 22.513 260 HG23 VAL 38 HG23 VAL 38 19.002 -0.347 23.483 261 H ARG 39 HN ARG 39 18.889 2.775 27.446 262 HA ARG 39 HA ARG 39 20.282 5.295 27.027 263 HB2 ARG 39 HB2 ARG 39 17.939 5.268 28.318 264 HB3 ARG 39 HB3 ARG 39 18.904 4.683 29.658 265 HG2 ARG 39 HG2 ARG 39 20.413 6.674 29.433 266 HG3 ARG 39 HG3 ARG 39 19.434 7.260 28.103 267 HD2 ARG 39 HD2 ARG 39 18.346 8.419 29.771 268 HD3 ARG 39 HD3 ARG 39 17.464 6.916 29.959 269 HE ARG 39 HE ARG 39 19.850 6.740 31.522 270 HH11 ARG 39 HH22 ARG 39 16.781 8.511 31.493 271 HH12 ARG 39 HH21 ARG 39 16.753 8.736 33.210 272 HH22 ARG 39 HH1 ARG 39 18.545 7.861 34.539 273 H ILE 40 HN ILE 40 22.301 5.483 28.093 274 HA ILE 40 HA ILE 40 22.991 3.394 30.004 275 HB ILE 40 HB ILE 40 24.786 4.029 27.671 276 HG12 ILE 40 HG12 ILE 40 22.519 2.095 27.862 277 HG13 ILE 40 HG13 ILE 40 23.094 3.021 26.490 278 HG21 ILE 40 HG21 ILE 40 25.948 1.996 28.357 279 HG22 ILE 40 HG22 ILE 40 25.878 3.174 29.690 280 HG23 ILE 40 HG23 ILE 40 24.788 1.766 29.687 281 HD11 ILE 40 HD11 ILE 40 25.104 1.571 26.323 282 HD12 ILE 40 HD12 ILE 40 24.550 0.643 27.737 283 HD13 ILE 40 HD13 ILE 40 23.610 0.607 26.226 284 H ARG 41 HN ARG 41 24.379 4.099 31.621 285 HA ARG 41 HA ARG 41 25.385 5.508 32.913 286 HB2 ARG 41 HB2 ARG 41 26.299 6.658 30.239 287 HB3 ARG 41 HB3 ARG 41 26.865 7.323 31.758 288 HG2 ARG 41 HG2 ARG 41 27.217 4.450 30.788 289 HG3 ARG 41 HG3 ARG 41 28.477 5.657 30.954 290 HD2 ARG 41 HD2 ARG 41 26.946 4.222 33.151 291 HD3 ARG 41 HD3 ARG 41 28.681 4.315 32.919 292 HE ARG 41 HE ARG 41 28.026 6.954 33.288 293 HH11 ARG 41 HH22 ARG 41 27.224 4.037 35.132 294 HH12 ARG 41 HH21 ARG 41 27.110 4.874 36.644 295 HH22 ARG 41 HH1 ARG 41 27.497 7.238 36.709 296 H GLY 42 HN GLY 42 24.824 7.950 30.297 297 HA2 GLY 42 HA1 GLY 42 22.546 9.088 31.680 298 HA3 GLY 42 HA2 GLY 42 24.008 10.051 31.754 299 H VAL 43 HN VAL 43 23.472 7.931 28.965 300 HA VAL 43 HA VAL 43 22.722 10.296 27.392 301 HB VAL 43 HB VAL 43 24.357 8.120 26.185 302 HG11 VAL 43 HG11 VAL 43 24.230 9.598 24.514 303 HG12 VAL 43 HG12 VAL 43 23.552 10.849 25.584 304 HG13 VAL 43 HG13 VAL 43 25.316 10.647 25.456 305 HG21 VAL 43 HG21 VAL 43 26.407 9.593 26.915 306 HG22 VAL 43 HG22 VAL 43 25.345 10.043 28.272 307 HG23 VAL 43 HG23 VAL 43 25.772 8.336 28.004 308 H LEU 44 HN LEU 44 20.842 10.062 26.290 309 HA LEU 44 HA LEU 44 19.752 7.352 26.149 310 HB2 LEU 44 HB2 LEU 44 18.144 8.539 27.191 311 HB3 LEU 44 HB3 LEU 44 18.632 10.065 26.479 312 HG LEU 44 HG LEU 44 17.542 9.430 24.356 313 HD11 LEU 44 HD11 LEU 44 17.008 7.334 23.878 314 HD12 LEU 44 HD12 LEU 44 17.585 6.825 25.483 315 HD13 LEU 44 HD13 LEU 44 15.880 7.284 25.254 316 HD21 LEU 44 HD21 LEU 44 15.157 9.445 25.266 317 HD22 LEU 44 HD22 LEU 44 15.895 9.442 26.886 318 HD23 LEU 44 HD23 LEU 44 16.227 10.780 25.759 319 H VAL 45 HN VAL 45 19.916 6.273 24.265 320 HA VAL 45 HA VAL 45 20.265 7.897 21.845 321 HB VAL 45 HB VAL 45 20.956 4.986 22.119 322 HG11 VAL 45 HG11 VAL 45 21.294 5.423 19.923 323 HG12 VAL 45 HG12 VAL 45 21.442 7.178 20.183 324 HG13 VAL 45 HG13 VAL 45 22.829 6.110 20.504 325 HG21 VAL 45 HG21 VAL 45 22.204 5.786 23.921 326 HG22 VAL 45 HG22 VAL 45 23.348 5.897 22.562 327 HG23 VAL 45 HG23 VAL 45 22.512 7.357 23.143 328 H ARG 46 HN ARG 46 18.091 8.273 21.316 329 HA ARG 46 HA ARG 46 16.528 5.847 20.953 330 HB2 ARG 46 HB2 ARG 46 14.661 7.807 20.702 331 HB3 ARG 46 HB3 ARG 46 15.103 7.126 22.255 332 HG2 ARG 46 HG2 ARG 46 16.784 8.949 22.581 333 HG3 ARG 46 HG3 ARG 46 16.354 9.628 21.024 334 HD2 ARG 46 HD2 ARG 46 14.269 9.200 23.206 335 HD3 ARG 46 HD3 ARG 46 15.229 10.664 23.128 336 HE ARG 46 HE ARG 46 14.172 10.258 20.532 337 HH11 ARG 46 HH22 ARG 46 12.936 10.912 23.787 338 HH12 ARG 46 HH21 ARG 46 11.521 11.735 23.219 339 HH22 ARG 46 HH1 ARG 46 11.172 11.976 20.860 340 H TYR 47 HN TYR 47 16.203 5.192 18.847 341 HA TYR 47 HA TYR 47 16.813 7.132 16.742 342 HB2 TYR 47 HB2 TYR 47 17.950 4.832 16.967 343 HB3 TYR 47 HB3 TYR 47 16.377 4.080 16.792 344 HD1 TYR 47 HD2 TYR 47 17.245 7.064 14.821 345 HD2 TYR 47 HD1 TYR 47 17.086 2.789 14.846 346 HE1 TYR 47 HE2 TYR 47 17.538 7.031 12.295 347 HE2 TYR 47 HE1 TYR 47 17.379 2.771 12.320 348 HH TYR 47 HH TYR 47 17.948 5.779 10.550 349 H ARG 48 HN ARG 48 15.372 7.558 15.026 350 HA ARG 48 HA ARG 48 12.837 6.222 15.096 351 HB2 ARG 48 HB2 ARG 48 11.645 8.523 15.012 352 HB3 ARG 48 HB3 ARG 48 12.243 8.006 16.577 353 HG2 ARG 48 HG2 ARG 48 14.460 9.307 15.743 354 HG3 ARG 48 HG3 ARG 48 13.292 10.167 14.760 355 HD2 ARG 48 HD2 ARG 48 11.989 10.181 17.185 356 HD3 ARG 48 HD3 ARG 48 13.656 10.188 17.728 357 HE ARG 48 HE ARG 48 13.706 12.129 15.797 358 HH11 ARG 48 HH22 ARG 48 11.509 11.582 18.522 359 HH12 ARG 48 HH21 ARG 48 11.141 13.263 18.723 360 HH22 ARG 48 HH1 ARG 48 12.158 14.870 17.265 361 H ARG 49 HN ARG 49 12.371 5.744 12.970 362 HA ARG 49 HA ARG 49 12.381 7.648 10.986 363 HB2 ARG 49 HB2 ARG 49 14.904 7.392 11.234 364 HB3 ARG 49 HB3 ARG 49 14.741 5.712 10.762 365 HG2 ARG 49 HG2 ARG 49 13.642 7.941 9.008 366 HG3 ARG 49 HG3 ARG 49 15.327 7.469 8.913 367 HD2 ARG 49 HD2 ARG 49 13.735 5.057 8.873 368 HD3 ARG 49 HD3 ARG 49 13.044 6.174 7.714 369 HE ARG 49 HE ARG 49 15.675 6.393 7.085 370 HH11 ARG 49 HH22 ARG 49 13.710 3.509 7.700 371 HH12 ARG 49 HH21 ARG 49 14.653 2.493 6.661 372 HH22 ARG 49 HH1 ARG 49 16.534 3.423 5.503 373 H CYS 50 HN CYS 50 11.547 6.742 8.951 374 HA CYS 50 HA CYS 50 11.098 3.870 8.980 375 HB2 CYS 50 HB2 CYS 50 8.855 5.870 8.628 376 HB3 CYS 50 HB3 CYS 50 8.727 4.132 8.447 377 H TRP 51 HN TRP 51 11.188 3.013 6.875 378 HA TRP 51 HA TRP 51 11.951 4.907 4.815 379 HB2 TRP 51 HB2 TRP 51 13.009 2.554 5.490 380 HB3 TRP 51 HB3 TRP 51 11.827 1.971 4.334 381 HD1 TRP 51 HD1 TRP 51 13.110 1.593 2.093 382 HE1 TRP 51 HE1 TRP 51 14.855 2.858 0.571 383 HE3 TRP 51 HE3 TRP 51 13.798 5.522 5.245 384 HZ2 TRP 51 HZ2 TRP 51 16.295 5.306 0.851 385 HZ3 TRP 51 HZ3 TRP 51 15.391 7.307 4.545 386 HH2 TRP 51 HH2 TRP 51 16.618 7.244 2.432 Start of MODEL 20 1 H1 ARG 1 HN ARG 1 8.768 -5.536 0.476 2 HA ARG 1 HA ARG 1 6.343 -5.692 2.081 3 HB2 ARG 1 HB2 ARG 1 8.863 -7.381 2.083 4 HB3 ARG 1 HB3 ARG 1 7.957 -7.209 3.573 5 HG2 ARG 1 HG2 ARG 1 7.346 -9.215 2.053 6 HG3 ARG 1 HG3 ARG 1 6.018 -8.254 2.671 7 HD2 ARG 1 HD2 ARG 1 5.725 -7.107 0.568 8 HD3 ARG 1 HD3 ARG 1 7.276 -7.654 -0.038 9 HE ARG 1 HE ARG 1 5.419 -9.833 0.634 10 HH11 ARG 1 HH22 ARG 1 6.543 -7.638 -1.910 11 HH12 ARG 1 HH21 ARG 1 5.985 -8.648 -3.201 12 HH22 ARG 1 HH1 ARG 1 4.893 -10.718 -2.683 13 H TRP 2 HN TRP 2 6.305 -4.447 3.979 14 HA TRP 2 HA TRP 2 8.755 -2.915 4.514 15 HB2 TRP 2 HB2 TRP 2 6.093 -2.024 5.506 16 HB3 TRP 2 HB3 TRP 2 7.499 -1.084 5.047 17 HD1 TRP 2 HD1 TRP 2 4.214 -1.213 3.870 18 HE1 TRP 2 HE1 TRP 2 3.860 -0.911 1.273 19 HE3 TRP 2 HE3 TRP 2 9.011 -2.278 2.562 20 HZ2 TRP 2 HZ2 TRP 2 5.587 -1.146 -0.987 21 HZ3 TRP 2 HZ3 TRP 2 9.594 -2.219 0.139 22 HH2 TRP 2 HH2 TRP 2 7.973 -1.678 -1.609 23 H CYS 3 HN CYS 3 9.749 -3.272 6.467 24 HA CYS 3 HA CYS 3 8.273 -4.943 8.358 25 HB2 CYS 3 HB2 CYS 3 11.135 -4.747 7.577 26 HB3 CYS 3 HB3 CYS 3 10.797 -5.077 9.265 27 H VAL 4 HN VAL 4 8.713 -4.419 10.729 28 HA VAL 4 HA VAL 4 9.575 -1.686 11.198 29 HB VAL 4 HB VAL 4 7.412 -1.520 12.674 30 HG11 VAL 4 HG11 VAL 4 7.186 0.191 11.261 31 HG12 VAL 4 HG12 VAL 4 8.133 -0.659 10.016 32 HG13 VAL 4 HG13 VAL 4 6.373 -0.903 10.117 33 HG21 VAL 4 HG21 VAL 4 5.929 -2.826 10.509 34 HG22 VAL 4 HG22 VAL 4 6.897 -3.963 11.477 35 HG23 VAL 4 HG23 VAL 4 5.700 -2.913 12.272 36 H TYR 5 HN TYR 5 11.115 -1.935 12.728 37 HA TYR 5 HA TYR 5 10.620 -3.987 14.778 38 HB2 TYR 5 HB2 TYR 5 12.992 -2.913 13.209 39 HB3 TYR 5 HB3 TYR 5 13.312 -3.418 14.856 40 HD1 TYR 5 HD1 TYR 5 11.632 -5.800 15.184 41 HD2 TYR 5 HD2 TYR 5 13.924 -4.522 11.806 42 HE1 TYR 5 HE1 TYR 5 11.835 -8.210 14.401 43 HE2 TYR 5 HE2 TYR 5 14.120 -6.936 11.034 44 HH TYR 5 HH TYR 5 13.929 -9.070 11.741 45 H ALA 6 HN ALA 6 11.419 -3.497 16.970 46 HA ALA 6 HA ALA 6 12.013 -0.718 17.512 47 HB1 ALA 6 HB1 ALA 6 9.340 -1.745 17.685 48 HB2 ALA 6 HB2 ALA 6 9.934 -1.462 19.339 49 HB3 ALA 6 HB3 ALA 6 9.942 -0.136 18.152 50 H TYR 7 HN TYR 7 13.077 -0.448 19.531 51 HA TYR 7 HA TYR 7 13.328 -2.777 21.238 52 HB2 TYR 7 HB2 TYR 7 15.122 -3.148 19.603 53 HB3 TYR 7 HB3 TYR 7 15.501 -1.438 19.534 54 HD1 TYR 7 HD2 TYR 7 14.922 -2.827 22.845 55 HD2 TYR 7 HD1 TYR 7 17.896 -2.101 19.856 56 HE1 TYR 7 HE2 TYR 7 16.753 -3.160 24.576 57 HE2 TYR 7 HE1 TYR 7 19.718 -2.437 21.598 58 HH TYR 7 HH TYR 7 19.864 -3.756 23.816 59 H VAL 8 HN VAL 8 12.855 -1.914 23.200 60 HA VAL 8 HA VAL 8 14.035 0.713 23.790 61 HB VAL 8 HB VAL 8 11.511 -0.522 24.907 62 HG11 VAL 8 HG11 VAL 8 11.612 2.308 25.223 63 HG12 VAL 8 HG12 VAL 8 11.620 1.050 26.482 64 HG13 VAL 8 HG13 VAL 8 13.157 1.643 25.806 65 HG21 VAL 8 HG21 VAL 8 10.688 0.019 22.867 66 HG22 VAL 8 HG22 VAL 8 10.665 1.665 23.544 67 HG23 VAL 8 HG23 VAL 8 12.017 1.147 22.508 68 H ARG 9 HN ARG 9 15.149 0.966 25.747 69 HA ARG 9 HA ARG 9 15.094 -1.143 27.640 70 HB2 ARG 9 HB2 ARG 9 16.733 -2.295 26.422 71 HB3 ARG 9 HB3 ARG 9 17.394 -0.833 25.717 72 HG2 ARG 9 HG2 ARG 9 18.457 -0.222 27.857 73 HG3 ARG 9 HG3 ARG 9 17.693 -1.576 28.665 74 HD2 ARG 9 HD2 ARG 9 19.399 -2.939 28.049 75 HD3 ARG 9 HD3 ARG 9 19.073 -2.619 26.357 76 HE ARG 9 HE ARG 9 20.434 -0.349 27.151 77 HH11 ARG 9 HH22 ARG 9 21.145 -3.811 27.411 78 HH12 ARG 9 HH21 ARG 9 22.862 -3.589 27.360 79 HH22 ARG 9 HH1 ARG 9 23.753 -1.373 27.166 80 H ILE 10 HN ILE 10 15.059 0.011 29.543 81 HA ILE 10 HA ILE 10 17.020 2.127 29.882 82 HB ILE 10 HB ILE 10 14.205 2.737 30.668 83 HG12 ILE 10 HG12 ILE 10 15.332 3.137 27.881 84 HG13 ILE 10 HG13 ILE 10 13.998 2.090 28.323 85 HG21 ILE 10 HG21 ILE 10 16.743 4.051 30.726 86 HG22 ILE 10 HG22 ILE 10 15.651 4.962 29.655 87 HG23 ILE 10 HG23 ILE 10 15.169 4.618 31.333 88 HD11 ILE 10 HD11 ILE 10 14.103 5.118 28.329 89 HD12 ILE 10 HD12 ILE 10 12.906 4.042 27.570 90 HD13 ILE 10 HD13 ILE 10 12.915 4.257 29.337 91 H ARG 11 HN ARG 11 16.894 2.910 32.297 92 HA ARG 11 HA ARG 11 17.440 2.224 34.301 93 HB2 ARG 11 HB2 ARG 11 14.546 1.458 33.916 94 HB3 ARG 11 HB3 ARG 11 15.316 0.962 35.410 95 HG2 ARG 11 HG2 ARG 11 14.886 3.045 36.206 96 HG3 ARG 11 HG3 ARG 11 16.140 3.629 35.129 97 HD2 ARG 11 HD2 ARG 11 14.593 4.304 33.467 98 HD3 ARG 11 HD3 ARG 11 13.349 3.206 34.030 99 HE ARG 11 HE ARG 11 13.843 5.004 36.158 100 HH11 ARG 11 HH22 ARG 11 12.629 5.169 32.833 101 HH12 ARG 11 HH21 ARG 11 11.637 6.557 33.132 102 HH22 ARG 11 HH1 ARG 11 11.597 7.520 35.327 103 H GLY 12 HN GLY 12 15.225 -0.567 34.078 104 HA2 GLY 12 HA1 GLY 12 17.484 -2.409 33.703 105 HA3 GLY 12 HA2 GLY 12 16.522 -2.532 35.163 106 H VAL 13 HN VAL 13 14.726 -1.348 32.438 107 HA VAL 13 HA VAL 13 13.488 -3.991 32.178 108 HB VAL 13 HB VAL 13 12.437 -1.233 31.514 109 HG11 VAL 13 HG11 VAL 13 11.103 -3.959 31.470 110 HG12 VAL 13 HG12 VAL 13 10.239 -2.409 31.341 111 HG13 VAL 13 HG13 VAL 13 11.406 -2.884 30.084 112 HG21 VAL 13 HG21 VAL 13 10.951 -2.525 33.583 113 HG22 VAL 13 HG22 VAL 13 12.675 -2.577 34.024 114 HG23 VAL 13 HG23 VAL 13 11.895 -1.018 33.664 115 H LEU 14 HN LEU 14 12.940 -4.788 30.042 116 HA LEU 14 HA LEU 14 14.271 -3.404 27.848 117 HB2 LEU 14 HB2 LEU 14 15.963 -4.893 28.610 118 HB3 LEU 14 HB3 LEU 14 14.834 -6.227 28.740 119 HG LEU 14 HG LEU 14 14.876 -6.689 26.502 120 HD11 LEU 14 HD11 LEU 14 15.701 -4.841 24.821 121 HD12 LEU 14 HD12 LEU 14 14.027 -4.848 25.427 122 HD13 LEU 14 HD13 LEU 14 15.225 -3.738 26.135 123 HD21 LEU 14 HD21 LEU 14 17.202 -6.351 25.611 124 HD22 LEU 14 HD22 LEU 14 17.539 -5.364 27.053 125 HD23 LEU 14 HD23 LEU 14 17.107 -7.082 27.231 126 H VAL 15 HN VAL 15 12.724 -3.066 26.355 127 HA VAL 15 HA VAL 15 10.771 -5.228 25.976 128 HB VAL 15 HB VAL 15 10.054 -2.359 25.529 129 HG11 VAL 15 HG11 VAL 15 7.988 -3.176 25.258 130 HG12 VAL 15 HG12 VAL 15 8.732 -4.793 25.241 131 HG13 VAL 15 HG13 VAL 15 8.085 -4.128 26.759 132 HG21 VAL 15 HG21 VAL 15 10.542 -1.883 27.681 133 HG22 VAL 15 HG22 VAL 15 9.051 -2.789 28.031 134 HG23 VAL 15 HG23 VAL 15 10.632 -3.598 28.150 135 H ARG 16 HN ARG 16 11.817 -6.157 24.200 136 HA ARG 16 HA ARG 16 12.502 -4.348 22.057 137 HB2 ARG 16 HB2 ARG 16 13.028 -7.335 22.458 138 HB3 ARG 16 HB3 ARG 16 13.538 -6.445 21.037 139 HG2 ARG 16 HG2 ARG 16 14.651 -4.806 22.820 140 HG3 ARG 16 HG3 ARG 16 14.527 -6.191 23.886 141 HD2 ARG 16 HD2 ARG 16 16.732 -6.031 22.625 142 HD3 ARG 16 HD3 ARG 16 15.900 -7.560 22.431 143 HE ARG 16 HE ARG 16 15.263 -5.540 20.379 144 HH11 ARG 16 HH22 ARG 16 17.307 -8.297 21.259 145 HH12 ARG 16 HH21 ARG 16 17.731 -8.664 19.621 146 HH22 ARG 16 HH1 ARG 16 16.846 -7.316 17.848 147 H TYR 17 HN TYR 17 10.751 -3.868 20.744 148 HA TYR 17 HA TYR 17 8.717 -5.896 20.328 149 HB2 TYR 17 HB2 TYR 17 8.686 -3.190 20.724 150 HB3 TYR 17 HB3 TYR 17 8.899 -3.167 18.985 151 HD1 TYR 17 HD1 TYR 17 6.758 -5.043 21.446 152 HD2 TYR 17 HD2 TYR 17 6.956 -2.865 17.769 153 HE1 TYR 17 HE1 TYR 17 4.252 -5.335 21.130 154 HE2 TYR 17 HE2 TYR 17 4.450 -3.165 17.466 155 HH TYR 17 HH TYR 17 2.654 -5.354 19.356 156 H ARG 18 HN ARG 18 7.915 -6.365 18.108 157 HA ARG 18 HA ARG 18 9.799 -5.824 16.020 158 HB2 ARG 18 HB2 ARG 18 9.622 -8.433 15.451 159 HB3 ARG 18 HB3 ARG 18 10.855 -7.841 16.547 160 HG2 ARG 18 HG2 ARG 18 9.373 -8.356 18.496 161 HG3 ARG 18 HG3 ARG 18 8.134 -8.939 17.403 162 HD2 ARG 18 HD2 ARG 18 9.122 -10.984 17.728 163 HD3 ARG 18 HD3 ARG 18 10.280 -10.427 16.535 164 HE ARG 18 HE ARG 18 11.033 -9.499 19.168 165 HH11 ARG 18 HH22 ARG 18 11.031 -12.403 17.138 166 HH12 ARG 18 HH21 ARG 18 12.376 -13.126 17.955 167 HH22 ARG 18 HH1 ARG 18 13.406 -11.961 19.779 168 H ARG 19 HN ARG 19 8.870 -6.307 13.852 169 HA ARG 19 HA ARG 19 6.322 -7.419 13.635 170 HB2 ARG 19 HB2 ARG 19 5.636 -5.241 14.653 171 HB3 ARG 19 HB3 ARG 19 6.481 -4.372 13.388 172 HG2 ARG 19 HG2 ARG 19 4.763 -4.638 11.917 173 HG3 ARG 19 HG3 ARG 19 4.644 -6.355 12.246 174 HD2 ARG 19 HD2 ARG 19 3.290 -5.923 14.266 175 HD3 ARG 19 HD3 ARG 19 3.506 -4.194 14.084 176 HE ARG 19 HE ARG 19 2.356 -5.419 11.697 177 HH11 ARG 19 HH22 ARG 19 1.578 -4.125 14.903 178 HH12 ARG 19 HH21 ARG 19 -0.067 -3.769 14.497 179 HH22 ARG 19 HH1 ARG 19 -0.865 -4.262 12.291 180 H CYS 20 HN CYS 20 5.734 -7.688 11.373 181 HA CYS 20 HA CYS 20 7.387 -6.366 9.416 182 HB2 CYS 20 HB2 CYS 20 7.715 -9.230 10.142 183 HB3 CYS 20 HB3 CYS 20 7.688 -8.848 8.432 184 H TRP 21 HN TRP 21 6.296 -6.278 7.384 185 HA TRP 21 HA TRP 21 3.605 -7.461 7.434 186 HB2 TRP 21 HB2 TRP 21 4.641 -4.897 6.230 187 HB3 TRP 21 HB3 TRP 21 3.109 -5.609 5.762 188 HD1 TRP 21 HD1 TRP 21 1.661 -6.291 8.373 189 HE1 TRP 21 HE1 TRP 21 1.008 -4.566 10.260 190 HE3 TRP 21 HE3 TRP 21 5.115 -2.784 7.095 191 HZ2 TRP 21 HZ2 TRP 21 1.988 -1.987 10.991 192 HZ3 TRP 21 HZ3 TRP 21 5.200 -0.692 8.447 193 HH2 TRP 21 HH2 TRP 21 3.710 -0.265 10.337 194 H1 ARG 31 HN ARG 31 7.574 0.327 3.711 195 HA ARG 31 HA ARG 31 10.338 0.896 3.194 196 HB2 ARG 31 HB2 ARG 31 8.104 2.166 4.754 197 HB3 ARG 31 HB3 ARG 31 9.725 2.458 5.353 198 HG2 ARG 31 HG2 ARG 31 9.659 4.189 3.833 199 HG3 ARG 31 HG3 ARG 31 10.184 2.939 2.723 200 HD2 ARG 31 HD2 ARG 31 8.352 3.633 1.508 201 HD3 ARG 31 HD3 ARG 31 7.493 2.533 2.568 202 HE ARG 31 HE ARG 31 7.602 4.973 3.962 203 HH11 ARG 31 HH22 ARG 31 6.269 3.844 0.879 204 HH12 ARG 31 HH21 ARG 31 4.988 5.009 0.864 205 HH22 ARG 31 HH1 ARG 31 4.797 6.568 2.674 206 H TRP 32 HN TRP 32 11.398 1.519 5.682 207 HA TRP 32 HA TRP 32 11.013 -0.892 7.304 208 HB2 TRP 32 HB2 TRP 32 13.490 0.018 5.935 209 HB3 TRP 32 HB3 TRP 32 13.657 -0.564 7.580 210 HD1 TRP 32 HD1 TRP 32 12.835 -1.826 4.052 211 HE1 TRP 32 HE1 TRP 32 12.844 -4.462 3.940 212 HE3 TRP 32 HE3 TRP 32 13.218 -2.561 9.069 213 HZ2 TRP 32 HZ2 TRP 32 13.007 -6.513 5.918 214 HZ3 TRP 32 HZ3 TRP 32 13.296 -4.912 9.896 215 HH2 TRP 32 HH2 TRP 32 13.197 -6.850 8.410 216 H CYS 33 HN CYS 33 9.917 0.236 8.944 217 HA CYS 33 HA CYS 33 11.063 2.722 9.867 218 HB2 CYS 33 HB2 CYS 33 8.489 1.283 10.233 219 HB3 CYS 33 HB3 CYS 33 9.028 2.285 11.567 220 H VAL 34 HN VAL 34 11.610 2.991 12.211 221 HA VAL 34 HA VAL 34 12.020 0.549 13.702 222 HB VAL 34 HB VAL 34 14.454 1.336 14.088 223 HG11 VAL 34 HG11 VAL 34 13.852 -0.797 13.058 224 HG12 VAL 34 HG12 VAL 34 13.624 0.006 11.486 225 HG13 VAL 34 HG13 VAL 34 15.244 -0.069 12.219 226 HG21 VAL 34 HG21 VAL 34 15.432 2.287 11.926 227 HG22 VAL 34 HG22 VAL 34 13.764 2.739 11.496 228 HG23 VAL 34 HG23 VAL 34 14.521 3.415 12.959 229 H TYR 35 HN TYR 35 11.898 0.915 15.910 230 HA TYR 35 HA TYR 35 12.099 3.677 16.823 231 HB2 TYR 35 HB2 TYR 35 9.678 2.862 16.129 232 HB3 TYR 35 HB3 TYR 35 9.788 1.763 17.490 233 HD1 TYR 35 HD1 TYR 35 11.000 5.293 17.307 234 HD2 TYR 35 HD2 TYR 35 8.139 2.574 18.959 235 HE1 TYR 35 HE1 TYR 35 10.149 7.120 18.858 236 HE2 TYR 35 HE2 TYR 35 7.298 4.410 20.504 237 HH TYR 35 HH TYR 35 8.101 7.656 20.050 238 H ALA 36 HN ALA 36 13.796 3.407 18.228 239 HA ALA 36 HA ALA 36 13.400 1.360 20.296 240 HB1 ALA 36 HB1 ALA 36 15.865 2.007 18.657 241 HB2 ALA 36 HB2 ALA 36 15.985 1.240 20.259 242 HB3 ALA 36 HB3 ALA 36 15.102 0.425 18.946 243 H TYR 37 HN TYR 37 14.559 1.911 22.358 244 HA TYR 37 HA TYR 37 15.306 4.698 22.629 245 HB2 TYR 37 HB2 TYR 37 12.696 4.175 22.922 246 HB3 TYR 37 HB3 TYR 37 13.181 3.394 24.414 247 HD1 TYR 37 HD1 TYR 37 14.522 4.824 26.121 248 HD2 TYR 37 HD2 TYR 37 12.292 6.490 22.872 249 HE1 TYR 37 HE1 TYR 37 14.450 7.069 27.311 250 HE2 TYR 37 HE2 TYR 37 12.228 8.729 24.073 251 HH TYR 37 HH TYR 37 12.437 9.645 26.180 252 H VAL 38 HN VAL 38 17.352 3.367 22.924 253 HA VAL 38 HA VAL 38 17.431 1.980 25.484 254 HB VAL 38 HB VAL 38 19.486 2.276 23.284 255 HG11 VAL 38 HG11 VAL 38 19.476 0.785 25.904 256 HG12 VAL 38 HG12 VAL 38 20.424 0.186 24.521 257 HG13 VAL 38 HG13 VAL 38 20.747 1.805 25.188 258 HG21 VAL 38 HG21 VAL 38 18.807 0.241 22.406 259 HG22 VAL 38 HG22 VAL 38 18.014 -0.270 23.916 260 HG23 VAL 38 HG23 VAL 38 17.252 0.965 22.884 261 H ARG 39 HN ARG 39 18.880 2.593 27.179 262 HA ARG 39 HA ARG 39 20.202 5.124 26.820 263 HB2 ARG 39 HB2 ARG 39 17.775 5.408 27.798 264 HB3 ARG 39 HB3 ARG 39 18.435 4.716 29.266 265 HG2 ARG 39 HG2 ARG 39 20.145 6.504 29.384 266 HG3 ARG 39 HG3 ARG 39 19.594 7.167 27.858 267 HD2 ARG 39 HD2 ARG 39 17.975 8.364 28.910 268 HD3 ARG 39 HD3 ARG 39 17.304 6.908 29.616 269 HE ARG 39 HE ARG 39 18.557 7.283 31.600 270 HH11 ARG 39 HH22 ARG 39 19.430 9.640 29.102 271 HH12 ARG 39 HH21 ARG 39 20.283 10.674 30.200 272 HH22 ARG 39 HH1 ARG 39 20.418 10.070 32.516 273 H ILE 40 HN ILE 40 22.131 5.230 28.029 274 HA ILE 40 HA ILE 40 22.473 3.451 30.274 275 HB ILE 40 HB ILE 40 23.759 3.000 27.623 276 HG12 ILE 40 HG12 ILE 40 22.135 1.534 29.530 277 HG13 ILE 40 HG13 ILE 40 22.476 1.189 27.846 278 HG21 ILE 40 HG21 ILE 40 25.118 2.435 30.273 279 HG22 ILE 40 HG22 ILE 40 25.645 1.832 28.683 280 HG23 ILE 40 HG23 ILE 40 25.661 3.579 29.022 281 HD11 ILE 40 HD11 ILE 40 24.619 0.131 28.443 282 HD12 ILE 40 HD12 ILE 40 24.381 0.571 30.152 283 HD13 ILE 40 HD13 ILE 40 23.299 -0.612 29.378 284 H ARG 41 HN ARG 41 24.482 3.958 31.480 285 HA ARG 41 HA ARG 41 25.735 5.418 32.470 286 HB2 ARG 41 HB2 ARG 41 26.324 6.162 29.570 287 HB3 ARG 41 HB3 ARG 41 27.185 6.912 30.899 288 HG2 ARG 41 HG2 ARG 41 27.012 3.886 30.559 289 HG3 ARG 41 HG3 ARG 41 28.296 4.840 29.846 290 HD2 ARG 41 HD2 ARG 41 28.060 5.639 32.608 291 HD3 ARG 41 HD3 ARG 41 28.073 3.887 32.567 292 HE ARG 41 HE ARG 41 30.117 4.780 30.804 293 HH11 ARG 41 HH22 ARG 41 29.400 4.840 34.274 294 HH12 ARG 41 HH21 ARG 41 31.067 4.874 34.743 295 HH22 ARG 41 HH1 ARG 41 32.764 4.864 33.051 296 H GLY 42 HN GLY 42 25.071 7.635 29.693 297 HA2 GLY 42 HA1 GLY 42 23.079 9.132 31.151 298 HA3 GLY 42 HA2 GLY 42 24.636 9.930 31.054 299 H VAL 43 HN VAL 43 23.602 7.695 28.490 300 HA VAL 43 HA VAL 43 22.934 10.002 26.807 301 HB VAL 43 HB VAL 43 24.436 7.709 25.642 302 HG11 VAL 43 HG11 VAL 43 24.335 9.078 23.884 303 HG12 VAL 43 HG12 VAL 43 23.616 10.367 24.880 304 HG13 VAL 43 HG13 VAL 43 25.386 10.221 24.755 305 HG21 VAL 43 HG21 VAL 43 26.602 8.839 26.173 306 HG22 VAL 43 HG22 VAL 43 25.725 9.897 27.305 307 HG23 VAL 43 HG23 VAL 43 25.788 8.142 27.594 308 H LEU 44 HN LEU 44 21.030 9.757 25.735 309 HA LEU 44 HA LEU 44 19.815 7.100 25.878 310 HB2 LEU 44 HB2 LEU 44 18.291 8.448 26.845 311 HB3 LEU 44 HB3 LEU 44 18.830 9.880 25.992 312 HG LEU 44 HG LEU 44 17.660 9.093 23.951 313 HD11 LEU 44 HD11 LEU 44 17.440 6.651 25.490 314 HD12 LEU 44 HD12 LEU 44 15.844 7.206 24.934 315 HD13 LEU 44 HD13 LEU 44 17.153 6.940 23.758 316 HD21 LEU 44 HD21 LEU 44 15.878 9.275 26.396 317 HD22 LEU 44 HD22 LEU 44 16.586 10.653 25.520 318 HD23 LEU 44 HD23 LEU 44 15.405 9.595 24.711 319 H VAL 45 HN VAL 45 20.079 5.852 24.111 320 HA VAL 45 HA VAL 45 20.414 7.215 21.546 321 HB VAL 45 HB VAL 45 20.801 4.280 22.024 322 HG11 VAL 45 HG11 VAL 45 21.112 5.975 19.823 323 HG12 VAL 45 HG12 VAL 45 22.769 5.686 20.404 324 HG13 VAL 45 HG13 VAL 45 21.720 4.310 19.986 325 HG21 VAL 45 HG21 VAL 45 23.264 4.933 22.489 326 HG22 VAL 45 HG22 VAL 45 22.600 6.518 22.951 327 HG23 VAL 45 HG23 VAL 45 22.087 5.052 23.820 328 H ARG 46 HN ARG 46 18.175 7.792 21.257 329 HA ARG 46 HA ARG 46 16.473 5.462 20.891 330 HB2 ARG 46 HB2 ARG 46 15.222 6.763 22.356 331 HB3 ARG 46 HB3 ARG 46 15.985 8.257 21.851 332 HG2 ARG 46 HG2 ARG 46 14.666 8.251 19.745 333 HG3 ARG 46 HG3 ARG 46 13.944 6.715 20.181 334 HD2 ARG 46 HD2 ARG 46 12.337 7.792 21.368 335 HD3 ARG 46 HD3 ARG 46 13.559 8.484 22.417 336 HE ARG 46 HE ARG 46 13.697 10.066 20.139 337 HH11 ARG 46 HH22 ARG 46 11.077 9.146 22.340 338 HH12 ARG 46 HH21 ARG 46 10.185 10.609 22.087 339 HH22 ARG 46 HH1 ARG 46 11.051 12.270 20.593 340 H TYR 47 HN TYR 47 15.043 5.447 18.960 341 HA TYR 47 HA TYR 47 15.809 7.351 16.877 342 HB2 TYR 47 HB2 TYR 47 17.079 5.011 16.958 343 HB3 TYR 47 HB3 TYR 47 15.539 4.317 16.492 344 HD1 TYR 47 HD2 TYR 47 17.023 7.533 15.307 345 HD2 TYR 47 HD1 TYR 47 15.981 3.501 14.327 346 HE1 TYR 47 HE2 TYR 47 17.556 7.982 12.862 347 HE2 TYR 47 HE1 TYR 47 16.516 3.964 11.885 348 HH TYR 47 HH TYR 47 17.714 7.156 10.876 349 H ARG 48 HN ARG 48 14.167 7.803 15.375 350 HA ARG 48 HA ARG 48 11.796 6.196 15.513 351 HB2 ARG 48 HB2 ARG 48 10.489 8.534 15.679 352 HB3 ARG 48 HB3 ARG 48 10.975 7.670 17.125 353 HG2 ARG 48 HG2 ARG 48 12.487 9.277 17.720 354 HG3 ARG 48 HG3 ARG 48 13.131 9.401 16.094 355 HD2 ARG 48 HD2 ARG 48 11.732 11.149 15.523 356 HD3 ARG 48 HD3 ARG 48 10.375 10.501 16.422 357 HE ARG 48 HE ARG 48 12.230 11.265 18.379 358 HH11 ARG 48 HH22 ARG 48 10.493 12.901 15.760 359 HH12 ARG 48 HH21 ARG 48 10.471 14.434 16.565 360 HH22 ARG 48 HH1 ARG 48 11.480 14.638 18.729 361 H ARG 49 HN ARG 49 12.361 5.709 13.286 362 HA ARG 49 HA ARG 49 11.270 7.522 11.470 363 HB2 ARG 49 HB2 ARG 49 13.760 8.354 11.982 364 HB3 ARG 49 HB3 ARG 49 14.210 7.052 10.900 365 HG2 ARG 49 HG2 ARG 49 13.343 9.651 10.171 366 HG3 ARG 49 HG3 ARG 49 13.652 8.303 9.095 367 HD2 ARG 49 HD2 ARG 49 11.403 8.906 8.608 368 HD3 ARG 49 HD3 ARG 49 11.238 7.508 9.652 369 HE ARG 49 HE ARG 49 11.283 9.745 11.369 370 HH11 ARG 49 HH22 ARG 49 9.227 8.546 8.745 371 HH12 ARG 49 HH21 ARG 49 7.791 9.292 9.361 372 HH22 ARG 49 HH1 ARG 49 7.910 10.572 11.384 373 H CYS 50 HN CYS 50 12.847 6.546 9.140 374 HA CYS 50 HA CYS 50 12.716 3.674 9.343 375 HB2 CYS 50 HB2 CYS 50 11.130 4.823 7.095 376 HB3 CYS 50 HB3 CYS 50 11.021 3.251 7.862 377 H TRP 51 HN TRP 51 12.890 3.124 6.565 378 HA TRP 51 HA TRP 51 14.878 4.924 5.469 379 HB2 TRP 51 HB2 TRP 51 16.356 3.621 6.745 380 HB3 TRP 51 HB3 TRP 51 15.506 2.130 6.390 381 HD1 TRP 51 HD1 TRP 51 18.393 4.175 5.169 382 HE1 TRP 51 HE1 TRP 51 19.468 3.217 2.957 383 HE3 TRP 51 HE3 TRP 51 14.626 0.924 4.124 384 HZ2 TRP 51 HZ2 TRP 51 18.640 1.251 1.061 385 HZ3 TRP 51 HZ3 TRP 51 14.837 -0.478 2.073 386 HH2 TRP 51 HH2 TRP 51 16.758 -0.353 0.566
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