NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627999 | 6cku | 30422 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 HT1 ASP 1 3.545 16.895 -2.621 2 H2 ASP 1 HT2 ASP 1 2.368 17.210 -3.795 3 H3 ASP 1 HT3 ASP 1 3.939 16.797 -4.264 4 HA ASP 1 HA ASP 1 2.374 14.948 -4.524 5 HB2 ASP 1 HB2 ASP 1 3.891 13.582 -2.634 6 HB3 ASP 1 HB1 ASP 1 4.337 13.872 -4.313 7 H VAL 2 HN VAL 2 2.170 12.915 -2.633 8 HA VAL 2 HA VAL 2 0.115 14.017 -0.835 9 HB VAL 2 HB VAL 2 0.300 11.121 -1.617 10 HG11 VAL 2 HG11 VAL 2 -2.340 12.177 -1.288 11 HG12 VAL 2 HG12 VAL 2 -1.349 12.613 0.104 12 HG13 VAL 2 HG13 VAL 2 -1.519 10.920 -0.362 13 HG21 VAL 2 HG21 VAL 2 -1.620 12.828 -3.072 14 HG22 VAL 2 HG22 VAL 2 -0.720 11.412 -3.614 15 HG23 VAL 2 HG23 VAL 2 0.073 12.985 -3.540 16 H GLN 3 HN GLN 3 0.571 14.022 1.260 17 HA GLN 3 HA GLN 3 2.879 12.638 2.277 18 HB2 GLN 3 HB2 GLN 3 0.840 14.492 3.471 19 HB3 GLN 3 HB1 GLN 3 1.981 13.633 4.495 20 HG2 GLN 3 HG2 GLN 3 3.780 14.618 2.936 21 HG3 GLN 3 HG1 GLN 3 2.511 15.736 2.439 22 HE21 GLN 3 HE21 GLN 3 4.627 16.870 3.494 23 HE22 GLN 3 HE22 GLN 3 4.344 17.400 5.114 24 H CYS 4 HN CYS 4 2.836 10.568 2.802 25 HA CYS 4 HA CYS 4 0.563 8.985 3.079 26 HB2 CYS 4 HB2 CYS 4 3.420 8.620 3.946 27 HB3 CYS 4 HB1 CYS 4 2.203 7.390 4.273 28 H GLY 5 HN GLY 5 2.302 10.882 5.440 29 HA2 GLY 5 HA2 GLY 5 0.653 11.549 7.283 30 HA3 GLY 5 HA1 GLY 5 0.552 9.819 7.564 31 H GLY 6 HN GLY 6 2.958 12.435 7.331 32 HA2 GLY 6 HA2 GLY 6 4.870 12.833 8.536 33 HA3 GLY 6 HA1 GLY 6 4.047 12.032 9.867 34 H GLY 7 HN GLY 7 5.797 11.294 6.858 35 HA2 GLY 7 HA2 GLY 7 7.814 9.780 7.877 36 HA3 GLY 7 HA1 GLY 7 6.476 8.647 7.769 37 H PHE 8 HN PHE 8 5.566 8.195 5.677 38 HA PHE 8 HA PHE 8 7.597 8.355 3.585 39 HB2 PHE 8 HB2 PHE 8 5.324 6.560 4.200 40 HB3 PHE 8 HB1 PHE 8 5.678 6.816 2.496 41 HD1 PHE 8 HD1 PHE 8 7.493 5.737 1.463 42 HD2 PHE 8 HD2 PHE 8 7.133 5.693 5.703 43 HE1 PHE 8 HE1 PHE 8 9.291 4.063 1.594 44 HE2 PHE 8 HE2 PHE 8 8.932 4.020 5.842 45 HZ PHE 8 HZ PHE 8 10.013 3.203 3.786 46 H SER 9 HN SER 9 6.339 8.212 1.297 47 HA SER 9 HA SER 9 4.161 10.038 0.997 48 HB2 SER 9 HB2 SER 9 5.959 11.377 -0.620 49 HB3 SER 9 HB1 SER 9 5.384 11.934 0.952 50 HG SER 9 HG SER 9 7.567 10.172 0.802 51 H CYS 10 HN CYS 10 3.405 10.149 -1.191 52 HA CYS 10 HA CYS 10 4.719 8.316 -3.066 53 HB2 CYS 10 HB2 CYS 10 1.973 8.099 -1.947 54 HB3 CYS 10 HB1 CYS 10 2.176 7.734 -3.657 55 H HIS 11 HN HIS 11 3.659 8.489 -5.289 56 HA HIS 11 HA HIS 11 3.623 11.295 -5.987 57 HB2 HIS 11 HB2 HIS 11 4.363 8.882 -7.284 58 HB3 HIS 11 HB1 HIS 11 3.099 9.635 -8.253 59 HD1 HIS 11 HD1 HIS 11 6.038 11.174 -6.381 60 HD2 HIS 11 HD2 HIS 11 4.395 10.998 -10.194 61 HE1 HIS 11 HE1 HIS 11 7.466 12.682 -7.798 62 HE2 HIS 11 HE2 HIS 11 6.418 12.608 -10.087 63 H ASP 12 HN ASP 12 2.065 12.035 -7.710 64 HA ASP 12 HA ASP 12 -0.537 12.053 -6.698 65 HB2 ASP 12 HB2 ASP 12 0.875 13.341 -8.779 66 HB3 ASP 12 HB1 ASP 12 -0.559 12.631 -9.516 67 H GLY 13 HN GLY 13 -2.274 10.793 -6.978 68 HA2 GLY 13 HA2 GLY 13 -3.694 9.321 -8.159 69 HA3 GLY 13 HA1 GLY 13 -2.351 8.914 -9.218 70 H GLU 14 HN GLU 14 -0.875 8.766 -6.402 71 HA GLU 14 HA GLU 14 -1.324 5.890 -6.167 72 HB2 GLU 14 HB2 GLU 14 0.710 7.493 -4.640 73 HB3 GLU 14 HB1 GLU 14 0.724 5.773 -4.990 74 HG2 GLU 14 HG2 GLU 14 0.948 7.887 -7.112 75 HG3 GLU 14 HG1 GLU 14 2.339 7.164 -6.305 76 H THR 15 HN THR 15 -1.090 5.045 -3.821 77 HA THR 15 HA THR 15 -2.640 6.704 -1.957 78 HB THR 15 HB THR 15 -3.252 3.775 -2.286 79 HG1 THR 15 HG1 THR 15 -3.674 4.846 -4.289 80 HG21 THR 15 HG21 THR 15 -5.429 4.527 -1.301 81 HG22 THR 15 HG22 THR 15 -4.718 6.127 -1.087 82 HG23 THR 15 HG23 THR 15 -4.040 4.740 -0.235 83 H CYS 16 HN CYS 16 -2.017 6.548 0.133 84 HA CYS 16 HA CYS 16 0.319 4.905 0.692 85 HB2 CYS 16 HB2 CYS 16 -1.032 7.101 2.269 86 HB3 CYS 16 HB1 CYS 16 0.393 6.224 2.822 87 H CYS 17 HN CYS 17 0.129 2.971 1.567 88 HA CYS 17 HA CYS 17 -2.200 2.402 3.282 89 HB2 CYS 17 HB2 CYS 17 -0.724 0.680 1.302 90 HB3 CYS 17 HB1 CYS 17 -1.678 -0.037 2.597 91 HA PRO 18 HA PRO 18 1.045 1.669 6.270 92 HB2 PRO 18 HB2 PRO 18 -0.475 1.719 8.457 93 HB3 PRO 18 HB1 PRO 18 -0.210 3.187 7.508 94 HG2 PRO 18 HG2 PRO 18 -2.597 1.400 7.609 95 HG3 PRO 18 HG1 PRO 18 -2.520 3.163 7.453 96 HD2 PRO 18 HD2 PRO 18 -2.875 1.332 5.356 97 HD3 PRO 18 HD1 PRO 18 -2.436 3.039 5.185 98 H THR 19 HN THR 19 0.957 -0.592 5.075 99 HA THR 19 HA THR 19 -0.443 -2.684 6.446 100 HB THR 19 HB THR 19 0.063 -2.933 4.078 101 HG1 THR 19 HG1 THR 19 0.297 -4.762 5.813 102 HG21 THR 19 HG21 THR 19 2.898 -3.531 4.358 103 HG22 THR 19 HG22 THR 19 2.522 -1.845 4.713 104 HG23 THR 19 HG23 THR 19 2.065 -2.541 3.158 105 H SER 20 HN SER 20 1.941 -0.853 7.539 106 HA SER 20 HA SER 20 3.033 -2.998 9.201 107 HB2 SER 20 HB2 SER 20 4.533 -1.408 7.260 108 HB3 SER 20 HB1 SER 20 5.208 -1.313 8.887 109 HG SER 20 HG SER 20 5.340 -3.563 8.916 110 H GLN 21 HN GLN 21 4.860 -1.377 10.608 111 HA GLN 21 HA GLN 21 2.987 0.392 12.027 112 HB2 GLN 21 HB2 GLN 21 5.211 -1.376 12.900 113 HB3 GLN 21 HB1 GLN 21 4.966 0.112 13.804 114 HG2 GLN 21 HG2 GLN 21 2.461 -1.231 13.375 115 HG3 GLN 21 HG1 GLN 21 3.632 -2.315 14.126 116 HE21 GLN 21 HE21 GLN 21 2.560 1.062 14.384 117 HE22 GLN 21 HE22 GLN 21 2.530 1.098 16.111 118 H THR 22 HN THR 22 6.088 0.228 10.452 119 HA THR 22 HA THR 22 6.348 3.140 10.772 120 HB THR 22 HB THR 22 7.963 2.069 12.285 121 HG1 THR 22 HG1 THR 22 9.895 3.031 11.198 122 HG21 THR 22 HG21 THR 22 8.220 0.184 10.255 123 HG22 THR 22 HG22 THR 22 9.180 0.280 11.731 124 HG23 THR 22 HG23 THR 22 9.757 1.048 10.252 125 H THR 23 HN THR 23 5.723 0.821 8.664 126 HA THR 23 HA THR 23 7.305 2.053 6.503 127 HB THR 23 HB THR 23 6.099 -0.660 6.170 128 HG1 THR 23 HG1 THR 23 7.900 -0.051 8.077 129 HG21 THR 23 HG21 THR 23 7.928 -0.980 4.652 130 HG22 THR 23 HG22 THR 23 8.714 0.497 5.208 131 HG23 THR 23 HG23 THR 23 7.203 0.590 4.304 132 H TRP 24 HN TRP 24 6.288 2.398 4.499 133 HA TRP 24 HA TRP 24 3.343 2.262 4.506 134 HB2 TRP 24 HB2 TRP 24 5.128 4.605 3.933 135 HB3 TRP 24 HB1 TRP 24 3.579 4.471 3.110 136 HD1 TRP 24 HD1 TRP 24 5.117 5.316 6.464 137 HE1 TRP 24 HE1 TRP 24 3.275 6.188 8.040 138 HE3 TRP 24 HE3 TRP 24 1.035 4.192 3.622 139 HZ2 TRP 24 HZ2 TRP 24 0.454 6.369 8.066 140 HZ3 TRP 24 HZ3 TRP 24 -1.200 4.742 4.487 141 HH2 TRP 24 HH2 TRP 24 -1.482 5.807 6.660 142 H GLY 25 HN GLY 25 2.434 1.591 2.609 143 HA2 GLY 25 HA2 GLY 25 4.308 1.013 0.403 144 HA3 GLY 25 HA1 GLY 25 2.887 0.050 0.773 145 H CYS 26 HN CYS 26 3.761 1.458 -1.703 146 HA CYS 26 HA CYS 26 1.683 3.477 -2.047 147 HB2 CYS 26 HB2 CYS 26 4.236 3.301 -3.027 148 HB3 CYS 26 HB1 CYS 26 3.291 2.716 -4.392 149 H CYS 27 HN CYS 27 -0.272 2.884 -2.685 150 HA CYS 27 HA CYS 27 -0.543 0.561 -4.476 151 HB2 CYS 27 HB2 CYS 27 -1.919 1.212 -1.924 152 HB3 CYS 27 HB1 CYS 27 -2.895 0.489 -3.198 153 HA PRO 28 HA PRO 28 -3.081 3.211 -6.964 154 HB2 PRO 28 HB2 PRO 28 -4.532 1.457 -8.356 155 HB3 PRO 28 HB1 PRO 28 -2.773 1.521 -8.526 156 HG2 PRO 28 HG2 PRO 28 -4.458 -0.401 -6.978 157 HG3 PRO 28 HG1 PRO 28 -3.013 -0.713 -7.955 158 HD2 PRO 28 HD2 PRO 28 -3.044 -0.454 -5.194 159 HD3 PRO 28 HD1 PRO 28 -1.612 -0.247 -6.219 160 H SER 29 HN SER 29 -5.370 3.712 -7.583 161 HA SER 29 HA SER 29 -7.509 4.261 -7.055 162 HB2 SER 29 HB2 SER 29 -7.269 1.497 -6.370 163 HB3 SER 29 HB1 SER 29 -8.273 2.286 -5.155 164 HG SER 29 HG SER 29 -8.820 1.718 -7.765 165 HA PRO 30 HA PRO 30 -6.690 6.717 -3.420 166 HB2 PRO 30 HB2 PRO 30 -9.140 7.975 -3.381 167 HB3 PRO 30 HB1 PRO 30 -7.770 8.478 -4.377 168 HG2 PRO 30 HG2 PRO 30 -10.149 6.824 -5.121 169 HG3 PRO 30 HG1 PRO 30 -9.350 8.114 -6.039 170 HD2 PRO 30 HD2 PRO 30 -8.934 5.530 -6.613 171 HD3 PRO 30 HD1 PRO 30 -7.623 6.723 -6.728 172 H LYS 31 HN LYS 31 -10.054 5.504 -3.645 173 HA LYS 31 HA LYS 31 -10.114 5.118 -0.773 174 HB2 LYS 31 HB2 LYS 31 -12.272 4.415 -2.760 175 HB3 LYS 31 HB1 LYS 31 -12.450 4.672 -1.029 176 HG2 LYS 31 HG2 LYS 31 -11.309 6.980 -2.357 177 HG3 LYS 31 HG1 LYS 31 -12.878 6.529 -3.026 178 HD2 LYS 31 HD2 LYS 31 -12.863 6.410 -0.130 179 HD3 LYS 31 HD1 LYS 31 -12.418 8.011 -0.724 180 HE2 LYS 31 HE2 LYS 31 -14.472 8.411 -1.582 181 HE3 LYS 31 HE1 LYS 31 -14.719 6.730 -2.052 182 HZ1 LYS 31 HZ1 LYS 31 -15.896 7.976 0.053 183 HZ2 LYS 31 HZ2 LYS 31 -14.652 7.099 0.791 184 HZ3 LYS 31 HZ3 LYS 31 -15.796 6.301 -0.167 185 H ALA 32 HN ALA 32 -8.426 3.421 -2.618 186 HA ALA 32 HA ALA 32 -9.442 0.827 -2.840 187 HB1 ALA 32 HB1 ALA 32 -6.560 1.480 -2.276 188 HB2 ALA 32 HB2 ALA 32 -7.316 1.742 -3.847 189 HB3 ALA 32 HB3 ALA 32 -7.212 0.113 -3.179 190 H VAL 33 HN VAL 33 -8.803 -1.089 -1.571 191 HA VAL 33 HA VAL 33 -8.693 -0.491 1.311 192 HB VAL 33 HB VAL 33 -9.902 -2.895 -0.073 193 HG11 VAL 33 HG11 VAL 33 -10.034 -3.959 1.890 194 HG12 VAL 33 HG12 VAL 33 -10.493 -2.493 2.756 195 HG13 VAL 33 HG13 VAL 33 -8.792 -2.832 2.435 196 HG21 VAL 33 HG21 VAL 33 -11.615 -1.462 -0.332 197 HG22 VAL 33 HG22 VAL 33 -10.987 -0.336 0.872 198 HG23 VAL 33 HG23 VAL 33 -11.890 -1.761 1.384 199 H CYS 34 HN CYS 34 -6.684 -0.797 2.024 200 HA CYS 34 HA CYS 34 -4.810 -2.492 0.716 201 HB2 CYS 34 HB2 CYS 34 -4.315 -1.563 3.502 202 HB3 CYS 34 HB1 CYS 34 -3.237 -1.575 2.111 203 H CYS 35 HN CYS 35 -4.880 -4.634 0.807 204 HA CYS 35 HA CYS 35 -6.210 -6.150 2.767 205 HB2 CYS 35 HB2 CYS 35 -5.153 -6.723 0.332 206 HB3 CYS 35 HB1 CYS 35 -3.933 -7.436 1.381 207 H ASP 36 HN ASP 36 -5.677 -6.398 4.795 208 HA ASP 36 HA ASP 36 -2.915 -5.934 5.640 209 HB2 ASP 36 HB2 ASP 36 -4.138 -6.004 7.972 210 HB3 ASP 36 HB1 ASP 36 -4.214 -4.571 6.952 211 H ASP 37 HN ASP 37 -4.953 -8.594 5.042 212 HA ASP 37 HA ASP 37 -4.354 -10.314 7.146 213 HB2 ASP 37 HB2 ASP 37 -5.988 -10.760 5.293 214 HB3 ASP 37 HB1 ASP 37 -4.622 -11.081 4.230 215 H MET 38 HN MET 38 -2.590 -9.553 4.205 216 HA MET 38 HA MET 38 -0.173 -10.702 5.405 217 HB2 MET 38 HB2 MET 38 -1.068 -11.048 2.535 218 HB3 MET 38 HB1 MET 38 0.513 -11.508 3.153 219 HG2 MET 38 HG2 MET 38 -1.636 -12.647 4.721 220 HG3 MET 38 HG1 MET 38 -1.741 -13.098 3.021 221 HE1 MET 38 HE1 MET 38 -0.148 -15.745 2.494 222 HE2 MET 38 HE2 MET 38 1.286 -14.802 2.088 223 HE3 MET 38 HE3 MET 38 -0.319 -14.162 1.737 224 H GLN 39 HN GLN 39 -0.354 -9.419 2.152 225 HA GLN 39 HA GLN 39 0.395 -6.755 2.941 226 HB2 GLN 39 HB2 GLN 39 2.520 -8.248 2.963 227 HB3 GLN 39 HB1 GLN 39 2.373 -8.216 1.211 228 HG2 GLN 39 HG2 GLN 39 2.153 -5.558 2.263 229 HG3 GLN 39 HG1 GLN 39 3.617 -6.335 2.865 230 HE21 GLN 39 HE21 GLN 39 2.963 -4.192 0.794 231 HE22 GLN 39 HE22 GLN 39 3.888 -4.663 -0.587 232 H HIS 40 HN HIS 40 -1.603 -6.385 1.746 233 HA HIS 40 HA HIS 40 -1.036 -6.017 -1.082 234 HB2 HIS 40 HB2 HIS 40 -2.140 -8.409 -0.425 235 HB3 HIS 40 HB1 HIS 40 -3.581 -7.450 -0.743 236 HD1 HIS 40 HD1 HIS 40 -4.085 -6.850 -3.160 237 HD2 HIS 40 HD2 HIS 40 -0.429 -8.764 -2.674 238 HE1 HIS 40 HE1 HIS 40 -3.307 -7.413 -5.484 239 HE2 HIS 40 HE2 HIS 40 -1.052 -8.492 -5.169 240 H CYS 41 HN CYS 41 -3.354 -5.506 -2.176 241 HA CYS 41 HA CYS 41 -5.141 -3.900 -0.654 242 HB2 CYS 41 HB2 CYS 41 -4.581 -1.731 -1.659 243 HB3 CYS 41 HB1 CYS 41 -3.239 -2.348 -0.701 244 H CYS 42 HN CYS 42 -6.891 -3.097 -1.971 245 HA CYS 42 HA CYS 42 -6.877 -4.025 -4.752 246 HB2 CYS 42 HB2 CYS 42 -9.016 -4.669 -2.715 247 HB3 CYS 42 HB1 CYS 42 -9.161 -4.962 -4.446 248 HA PRO 43 HA PRO 43 -8.699 -0.190 -5.847 249 HB2 PRO 43 HB2 PRO 43 -10.623 -1.771 -7.483 250 HB3 PRO 43 HB1 PRO 43 -9.569 -0.433 -7.959 251 HG2 PRO 43 HG2 PRO 43 -8.932 -2.907 -8.640 252 HG3 PRO 43 HG1 PRO 43 -7.680 -1.789 -8.060 253 HD2 PRO 43 HD2 PRO 43 -9.053 -4.015 -6.596 254 HD3 PRO 43 HD1 PRO 43 -7.337 -3.551 -6.587 255 H ALA 44 HN ALA 44 -10.148 1.113 -5.024 256 HA ALA 44 HA ALA 44 -11.862 0.593 -3.007 257 HB1 ALA 44 HB1 ALA 44 -12.906 2.620 -4.864 258 HB2 ALA 44 HB2 ALA 44 -11.216 2.818 -4.399 259 HB3 ALA 44 HB3 ALA 44 -12.470 2.754 -3.160 260 H GLY 45 HN GLY 45 -13.490 -0.783 -2.829 261 HA2 GLY 45 HA2 GLY 45 -15.876 -1.044 -3.466 262 HA3 GLY 45 HA1 GLY 45 -15.320 -1.063 -5.131 263 H TYR 46 HN TYR 46 -12.934 -2.743 -3.827 264 HA TYR 46 HA TYR 46 -14.396 -5.281 -4.127 265 HB2 TYR 46 HB2 TYR 46 -11.455 -4.684 -4.506 266 HB3 TYR 46 HB1 TYR 46 -12.192 -6.273 -4.673 267 HD1 TYR 46 HD1 TYR 46 -10.759 -4.007 -6.603 268 HD2 TYR 46 HD2 TYR 46 -14.608 -5.772 -6.192 269 HE1 TYR 46 HE1 TYR 46 -11.221 -3.538 -8.972 270 HE2 TYR 46 HE2 TYR 46 -15.080 -5.308 -8.560 271 HH TYR 46 HH TYR 46 -12.619 -4.151 -10.732 272 H LYS 47 HN LYS 47 -13.411 -7.143 -2.899 273 HA LYS 47 HA LYS 47 -12.448 -6.308 -0.248 274 HB2 LYS 47 HB2 LYS 47 -14.865 -6.786 -0.127 275 HB3 LYS 47 HB1 LYS 47 -14.577 -8.389 -0.789 276 HG2 LYS 47 HG2 LYS 47 -12.879 -8.157 1.428 277 HG3 LYS 47 HG1 LYS 47 -14.436 -7.491 1.927 278 HD2 LYS 47 HD2 LYS 47 -14.248 -10.117 0.484 279 HD3 LYS 47 HD1 LYS 47 -14.039 -10.013 2.233 280 HE2 LYS 47 HE2 LYS 47 -16.239 -9.023 2.466 281 HE3 LYS 47 HE1 LYS 47 -16.446 -9.013 0.715 282 HZ1 LYS 47 HZ1 LYS 47 -15.820 -11.614 1.401 283 HZ2 LYS 47 HZ2 LYS 47 -17.325 -11.022 0.907 284 HZ3 LYS 47 HZ3 LYS 47 -16.949 -11.104 2.554 285 H CYS 48 HN CYS 48 -11.194 -7.888 0.876 286 HA CYS 48 HA CYS 48 -9.690 -9.590 -0.921 287 HB2 CYS 48 HB2 CYS 48 -9.332 -8.532 1.828 288 HB3 CYS 48 HB1 CYS 48 -8.558 -10.072 1.469 289 H GLY 49 HN GLY 49 -10.039 -11.690 -1.222 290 HA2 GLY 49 HA2 GLY 49 -11.759 -13.097 0.718 291 HA3 GLY 49 HA1 GLY 49 -11.629 -13.502 -0.986 292 HA PRO 50 HA PRO 50 -8.676 -16.106 1.652 293 HB2 PRO 50 HB2 PRO 50 -10.383 -18.401 1.105 294 HB3 PRO 50 HB1 PRO 50 -9.853 -17.756 2.659 295 HG2 PRO 50 HG2 PRO 50 -12.425 -17.618 1.804 296 HG3 PRO 50 HG1 PRO 50 -11.697 -16.411 2.879 297 HD2 PRO 50 HD2 PRO 50 -12.178 -16.277 -0.075 298 HD3 PRO 50 HD1 PRO 50 -12.400 -15.020 1.161 299 H GLY 51 HN GLY 51 -9.950 -16.000 -1.460 300 HA2 GLY 51 HA2 GLY 51 -8.445 -18.248 -2.508 301 HA3 GLY 51 HA1 GLY 51 -9.431 -17.129 -3.436 302 H GLY 52 HN GLY 52 -7.263 -15.621 -1.299 303 HA2 GLY 52 HA2 GLY 52 -5.201 -14.618 -1.584 304 HA3 GLY 52 HA1 GLY 52 -4.974 -15.590 -3.030 305 H THR 53 HN THR 53 -7.741 -14.444 -3.858 306 HA THR 53 HA THR 53 -6.651 -11.946 -4.972 307 HB THR 53 HB THR 53 -8.353 -12.232 -6.781 308 HG1 THR 53 HG1 THR 53 -9.512 -13.869 -5.280 309 HG21 THR 53 HG21 THR 53 -6.768 -13.249 -7.985 310 HG22 THR 53 HG22 THR 53 -6.946 -14.750 -7.076 311 HG23 THR 53 HG23 THR 53 -5.885 -13.475 -6.476 312 H CYS 54 HN CYS 54 -8.723 -10.569 -5.791 313 HA CYS 54 HA CYS 54 -10.334 -10.166 -3.364 314 HB2 CYS 54 HB2 CYS 54 -8.955 -8.336 -5.186 315 HB3 CYS 54 HB1 CYS 54 -10.612 -7.858 -4.833 316 H ILE 55 HN ILE 55 -12.526 -9.690 -3.525 317 HA ILE 55 HA ILE 55 -13.787 -10.455 -6.076 318 HB ILE 55 HB ILE 55 -15.701 -11.271 -4.732 319 HG12 ILE 55 HG12 ILE 55 -13.879 -10.965 -2.339 320 HG13 ILE 55 HG11 ILE 55 -15.144 -9.808 -2.739 321 HG21 ILE 55 HG21 ILE 55 -14.795 -13.314 -4.697 322 HG22 ILE 55 HG22 ILE 55 -13.562 -12.843 -3.528 323 HG23 ILE 55 HG23 ILE 55 -13.316 -12.526 -5.245 324 HD11 ILE 55 HD11 ILE 55 -16.267 -11.099 -1.255 325 HD12 ILE 55 HD12 ILE 55 -15.353 -12.554 -1.655 326 HD13 ILE 55 HD13 ILE 55 -16.632 -11.992 -2.732 327 H SER 56 HN SER 56 -16.324 -9.754 -5.752 328 HA SER 56 HA SER 56 -16.387 -6.978 -4.817 329 HB2 SER 56 HB2 SER 56 -16.996 -6.064 -6.832 330 HB3 SER 56 HB1 SER 56 -15.994 -7.387 -7.427 331 HG SER 56 HG SER 56 -18.572 -6.939 -7.887 Start of MODEL 2 1 H1 ASP 1 HT1 ASP 1 4.843 16.966 -2.254 2 H2 ASP 1 HT2 ASP 1 4.198 17.371 -3.765 3 H3 ASP 1 HT3 ASP 1 5.684 16.567 -3.667 4 HA ASP 1 HA ASP 1 3.504 15.276 -4.228 5 HB2 ASP 1 HB2 ASP 1 5.960 14.599 -2.717 6 HB3 ASP 1 HB1 ASP 1 4.671 13.401 -2.654 7 H VAL 2 HN VAL 2 2.788 13.272 -2.553 8 HA VAL 2 HA VAL 2 1.154 14.682 -0.562 9 HB VAL 2 HB VAL 2 0.688 11.833 -1.375 10 HG11 VAL 2 HG11 VAL 2 -0.809 12.288 0.272 11 HG12 VAL 2 HG12 VAL 2 -1.735 12.908 -1.096 12 HG13 VAL 2 HG13 VAL 2 -0.829 14.018 -0.069 13 HG21 VAL 2 HG21 VAL 2 -1.029 13.156 -2.991 14 HG22 VAL 2 HG22 VAL 2 0.535 12.530 -3.514 15 HG23 VAL 2 HG23 VAL 2 0.372 14.226 -3.062 16 H GLN 3 HN GLN 3 1.460 14.371 1.557 17 HA GLN 3 HA GLN 3 3.552 12.556 2.414 18 HB2 GLN 3 HB2 GLN 3 2.405 13.671 4.701 19 HB3 GLN 3 HB1 GLN 3 3.875 14.196 3.895 20 HG2 GLN 3 HG2 GLN 3 1.274 15.215 2.889 21 HG3 GLN 3 HG1 GLN 3 1.903 15.857 4.406 22 HE21 GLN 3 HE21 GLN 3 2.161 15.841 1.000 23 HE22 GLN 3 HE22 GLN 3 3.458 16.975 0.862 24 H CYS 4 HN CYS 4 3.145 10.520 2.874 25 HA CYS 4 HA CYS 4 0.654 9.332 3.031 26 HB2 CYS 4 HB2 CYS 4 3.336 8.465 4.100 27 HB3 CYS 4 HB1 CYS 4 1.908 7.438 4.188 28 H GLY 5 HN GLY 5 2.746 9.172 5.874 29 HA2 GLY 5 HA2 GLY 5 0.833 10.518 7.561 30 HA3 GLY 5 HA1 GLY 5 0.860 8.774 7.782 31 H GLY 6 HN GLY 6 3.091 7.826 8.166 32 HA2 GLY 6 HA2 GLY 6 4.239 9.144 10.409 33 HA3 GLY 6 HA1 GLY 6 4.835 7.674 9.651 34 H GLY 7 HN GLY 7 5.878 8.106 7.408 35 HA2 GLY 7 HA2 GLY 7 7.196 10.689 7.227 36 HA3 GLY 7 HA1 GLY 7 8.244 9.337 7.619 37 H PHE 8 HN PHE 8 5.755 8.222 5.659 38 HA PHE 8 HA PHE 8 7.574 8.173 3.380 39 HB2 PHE 8 HB2 PHE 8 5.179 6.603 4.208 40 HB3 PHE 8 HB1 PHE 8 5.548 6.703 2.489 41 HD1 PHE 8 HD1 PHE 8 6.820 5.016 1.616 42 HD2 PHE 8 HD2 PHE 8 7.362 6.088 5.699 43 HE1 PHE 8 HE1 PHE 8 8.475 3.215 1.865 44 HE2 PHE 8 HE2 PHE 8 9.020 4.290 5.955 45 HZ PHE 8 HZ PHE 8 9.580 2.849 4.037 46 H SER 9 HN SER 9 6.166 8.116 1.192 47 HA SER 9 HA SER 9 4.065 10.042 1.028 48 HB2 SER 9 HB2 SER 9 5.561 11.522 -0.558 49 HB3 SER 9 HB1 SER 9 5.582 11.787 1.186 50 HG SER 9 HG SER 9 7.642 11.335 -0.284 51 H CYS 10 HN CYS 10 3.246 10.286 -1.139 52 HA CYS 10 HA CYS 10 4.367 8.440 -3.115 53 HB2 CYS 10 HB2 CYS 10 1.655 8.328 -1.884 54 HB3 CYS 10 HB1 CYS 10 1.804 7.952 -3.596 55 H HIS 11 HN HIS 11 2.982 8.688 -5.232 56 HA HIS 11 HA HIS 11 3.153 11.490 -5.926 57 HB2 HIS 11 HB2 HIS 11 2.307 9.279 -7.784 58 HB3 HIS 11 HB1 HIS 11 3.096 10.804 -8.181 59 HD1 HIS 11 HD1 HIS 11 3.871 7.419 -8.171 60 HD2 HIS 11 HD2 HIS 11 5.813 10.756 -6.635 61 HE1 HIS 11 HE1 HIS 11 6.278 6.738 -7.915 62 HE2 HIS 11 HE2 HIS 11 7.414 8.742 -6.895 63 H ASP 12 HN ASP 12 1.474 12.495 -7.306 64 HA ASP 12 HA ASP 12 -0.981 12.643 -5.987 65 HB2 ASP 12 HB2 ASP 12 0.056 13.622 -8.611 66 HB3 ASP 12 HB1 ASP 12 -1.679 13.690 -8.325 67 H GLY 13 HN GLY 13 -2.869 11.579 -6.168 68 HA2 GLY 13 HA2 GLY 13 -4.526 10.303 -7.253 69 HA3 GLY 13 HA1 GLY 13 -3.356 9.879 -8.495 70 H GLU 14 HN GLU 14 -1.597 9.404 -5.879 71 HA GLU 14 HA GLU 14 -2.227 6.553 -5.797 72 HB2 GLU 14 HB2 GLU 14 0.067 7.988 -4.467 73 HB3 GLU 14 HB1 GLU 14 -0.080 6.261 -4.754 74 HG2 GLU 14 HG2 GLU 14 -0.030 8.221 -7.017 75 HG3 GLU 14 HG1 GLU 14 1.456 7.629 -6.272 76 H THR 15 HN THR 15 -1.959 5.475 -3.594 77 HA THR 15 HA THR 15 -3.122 7.136 -1.461 78 HB THR 15 HB THR 15 -4.011 4.326 -2.140 79 HG1 THR 15 HG1 THR 15 -6.024 5.490 -2.599 80 HG21 THR 15 HG21 THR 15 -5.587 4.525 -0.375 81 HG22 THR 15 HG22 THR 15 -5.223 6.236 -0.149 82 HG23 THR 15 HG23 THR 15 -4.032 5.015 0.296 83 H CYS 16 HN CYS 16 -2.227 6.871 0.501 84 HA CYS 16 HA CYS 16 -0.037 4.961 0.739 85 HB2 CYS 16 HB2 CYS 16 -0.902 7.236 2.534 86 HB3 CYS 16 HB1 CYS 16 0.493 6.201 2.835 87 H CYS 17 HN CYS 17 -0.272 3.078 1.725 88 HA CYS 17 HA CYS 17 -2.439 2.787 3.699 89 HB2 CYS 17 HB2 CYS 17 -1.687 1.039 1.393 90 HB3 CYS 17 HB1 CYS 17 -2.354 0.296 2.843 91 HA PRO 18 HA PRO 18 1.058 1.442 6.148 92 HB2 PRO 18 HB2 PRO 18 -0.157 1.430 8.528 93 HB3 PRO 18 HB1 PRO 18 0.194 2.950 7.692 94 HG2 PRO 18 HG2 PRO 18 -2.385 1.442 7.878 95 HG3 PRO 18 HG1 PRO 18 -2.097 3.186 8.005 96 HD2 PRO 18 HD2 PRO 18 -2.972 1.912 5.721 97 HD3 PRO 18 HD1 PRO 18 -2.124 3.471 5.738 98 H THR 19 HN THR 19 1.006 -0.655 5.031 99 HA THR 19 HA THR 19 -0.643 -2.740 6.196 100 HB THR 19 HB THR 19 0.078 -4.152 4.469 101 HG1 THR 19 HG1 THR 19 1.962 -3.547 3.171 102 HG21 THR 19 HG21 THR 19 0.409 -2.156 2.539 103 HG22 THR 19 HG22 THR 19 -0.600 -1.430 3.792 104 HG23 THR 19 HG23 THR 19 -1.100 -2.934 3.018 105 H SER 20 HN SER 20 2.030 -1.251 7.227 106 HA SER 20 HA SER 20 2.898 -3.580 8.741 107 HB2 SER 20 HB2 SER 20 4.345 -3.298 6.627 108 HB3 SER 20 HB1 SER 20 4.991 -1.863 7.420 109 HG SER 20 HG SER 20 6.141 -3.923 7.767 110 H GLN 21 HN GLN 21 4.986 -2.588 10.112 111 HA GLN 21 HA GLN 21 3.747 -0.818 11.944 112 HB2 GLN 21 HB2 GLN 21 6.016 -2.498 11.911 113 HB3 GLN 21 HB1 GLN 21 6.596 -0.884 12.302 114 HG2 GLN 21 HG2 GLN 21 4.323 -2.236 13.733 115 HG3 GLN 21 HG1 GLN 21 6.003 -2.303 14.265 116 HE21 GLN 21 HE21 GLN 21 6.935 0.158 13.967 117 HE22 GLN 21 HE22 GLN 21 6.037 1.298 14.904 118 H THR 22 HN THR 22 6.920 -0.260 10.432 119 HA THR 22 HA THR 22 6.211 2.588 10.229 120 HB THR 22 HB THR 22 8.133 2.113 11.686 121 HG1 THR 22 HG1 THR 22 7.995 4.013 10.166 122 HG21 THR 22 HG21 THR 22 10.158 1.157 10.882 123 HG22 THR 22 HG22 THR 22 9.576 1.160 9.217 124 HG23 THR 22 HG23 THR 22 8.859 0.066 10.399 125 H THR 23 HN THR 23 5.641 0.400 8.261 126 HA THR 23 HA THR 23 7.175 1.443 5.972 127 HB THR 23 HB THR 23 5.553 -1.045 5.714 128 HG1 THR 23 HG1 THR 23 7.605 -2.130 6.456 129 HG21 THR 23 HG21 THR 23 6.623 -1.020 3.759 130 HG22 THR 23 HG22 THR 23 8.130 -1.303 4.629 131 HG23 THR 23 HG23 THR 23 7.615 0.345 4.270 132 H TRP 24 HN TRP 24 5.986 1.655 3.928 133 HA TRP 24 HA TRP 24 3.099 2.028 4.236 134 HB2 TRP 24 HB2 TRP 24 5.098 4.141 3.516 135 HB3 TRP 24 HB1 TRP 24 3.466 4.219 2.862 136 HD1 TRP 24 HD1 TRP 24 5.428 4.765 6.051 137 HE1 TRP 24 HE1 TRP 24 3.873 5.767 7.841 138 HE3 TRP 24 HE3 TRP 24 0.977 4.224 3.631 139 HZ2 TRP 24 HZ2 TRP 24 1.112 6.260 8.176 140 HZ3 TRP 24 HZ3 TRP 24 -1.079 4.980 4.747 141 HH2 TRP 24 HH2 TRP 24 -1.009 5.976 6.970 142 H GLY 25 HN GLY 25 1.975 1.318 2.546 143 HA2 GLY 25 HA2 GLY 25 3.466 0.579 0.119 144 HA3 GLY 25 HA1 GLY 25 1.945 -0.134 0.634 145 H CYS 26 HN CYS 26 2.917 1.313 -1.862 146 HA CYS 26 HA CYS 26 0.995 3.520 -1.933 147 HB2 CYS 26 HB2 CYS 26 3.520 3.498 -2.804 148 HB3 CYS 26 HB1 CYS 26 2.734 2.914 -4.267 149 H CYS 27 HN CYS 27 -0.944 3.231 -2.768 150 HA CYS 27 HA CYS 27 -1.358 1.022 -4.670 151 HB2 CYS 27 HB2 CYS 27 -2.616 1.367 -2.289 152 HB3 CYS 27 HB1 CYS 27 -3.717 2.229 -3.357 153 HA PRO 28 HA PRO 28 -2.275 4.150 -7.677 154 HB2 PRO 28 HB2 PRO 28 -3.388 2.608 -9.588 155 HB3 PRO 28 HB1 PRO 28 -1.658 2.560 -9.226 156 HG2 PRO 28 HG2 PRO 28 -3.831 0.698 -8.342 157 HG3 PRO 28 HG1 PRO 28 -2.204 0.316 -8.937 158 HD2 PRO 28 HD2 PRO 28 -2.850 0.336 -6.294 159 HD3 PRO 28 HD1 PRO 28 -1.227 0.724 -6.897 160 H SER 29 HN SER 29 -4.723 2.155 -6.242 161 HA SER 29 HA SER 29 -6.887 3.701 -7.441 162 HB2 SER 29 HB2 SER 29 -6.636 1.064 -6.342 163 HB3 SER 29 HB1 SER 29 -7.896 1.933 -5.467 164 HG SER 29 HG SER 29 -7.760 1.857 -8.294 165 HA PRO 30 HA PRO 30 -7.160 6.510 -4.032 166 HB2 PRO 30 HB2 PRO 30 -9.749 7.300 -4.312 167 HB3 PRO 30 HB1 PRO 30 -8.445 7.859 -5.364 168 HG2 PRO 30 HG2 PRO 30 -10.485 5.728 -5.842 169 HG3 PRO 30 HG1 PRO 30 -9.866 6.958 -6.959 170 HD2 PRO 30 HD2 PRO 30 -9.020 4.381 -6.996 171 HD3 PRO 30 HD1 PRO 30 -7.976 5.742 -7.451 172 H LYS 31 HN LYS 31 -10.408 5.091 -4.232 173 HA LYS 31 HA LYS 31 -10.540 4.787 -1.390 174 HB2 LYS 31 HB2 LYS 31 -12.499 3.476 -3.233 175 HB3 LYS 31 HB1 LYS 31 -12.776 4.237 -1.674 176 HG2 LYS 31 HG2 LYS 31 -13.561 5.970 -2.818 177 HG3 LYS 31 HG1 LYS 31 -11.883 6.320 -3.237 178 HD2 LYS 31 HD2 LYS 31 -12.285 5.884 -5.381 179 HD3 LYS 31 HD1 LYS 31 -12.902 4.282 -4.973 180 HE2 LYS 31 HE2 LYS 31 -14.968 5.908 -4.216 181 HE3 LYS 31 HE1 LYS 31 -14.339 6.744 -5.636 182 HZ1 LYS 31 HZ1 LYS 31 -15.890 4.377 -5.502 183 HZ2 LYS 31 HZ2 LYS 31 -14.433 4.066 -6.303 184 HZ3 LYS 31 HZ3 LYS 31 -15.458 5.293 -6.857 185 H ALA 32 HN ALA 32 -8.465 3.211 -2.829 186 HA ALA 32 HA ALA 32 -9.187 0.469 -2.834 187 HB1 ALA 32 HB1 ALA 32 -6.559 1.918 -2.779 188 HB2 ALA 32 HB2 ALA 32 -7.289 0.993 -4.091 189 HB3 ALA 32 HB3 ALA 32 -6.644 0.159 -2.677 190 H VAL 33 HN VAL 33 -9.215 -1.023 -1.235 191 HA VAL 33 HA VAL 33 -8.960 -0.084 1.496 192 HB VAL 33 HB VAL 33 -9.620 -2.872 0.538 193 HG11 VAL 33 HG11 VAL 33 -10.696 -1.868 3.078 194 HG12 VAL 33 HG12 VAL 33 -8.945 -2.081 3.043 195 HG13 VAL 33 HG13 VAL 33 -10.007 -3.441 2.677 196 HG21 VAL 33 HG21 VAL 33 -11.857 -2.331 0.425 197 HG22 VAL 33 HG22 VAL 33 -11.115 -0.860 -0.203 198 HG23 VAL 33 HG23 VAL 33 -11.679 -0.920 1.466 199 H CYS 34 HN CYS 34 -7.249 -0.393 2.803 200 HA CYS 34 HA CYS 34 -4.883 -1.612 1.738 201 HB2 CYS 34 HB2 CYS 34 -5.163 -0.814 4.612 202 HB3 CYS 34 HB1 CYS 34 -3.750 -0.733 3.570 203 H CYS 35 HN CYS 35 -5.361 -3.804 1.455 204 HA CYS 35 HA CYS 35 -6.482 -5.545 3.301 205 HB2 CYS 35 HB2 CYS 35 -5.641 -5.901 0.821 206 HB3 CYS 35 HB1 CYS 35 -4.183 -6.473 1.623 207 H ASP 36 HN ASP 36 -5.900 -5.659 5.356 208 HA ASP 36 HA ASP 36 -3.087 -5.449 6.095 209 HB2 ASP 36 HB2 ASP 36 -3.816 -4.983 8.308 210 HB3 ASP 36 HB1 ASP 36 -4.870 -4.072 7.231 211 H ASP 37 HN ASP 37 -5.387 -7.923 5.568 212 HA ASP 37 HA ASP 37 -4.813 -9.768 7.556 213 HB2 ASP 37 HB2 ASP 37 -6.354 -9.822 5.335 214 HB3 ASP 37 HB1 ASP 37 -5.015 -10.828 4.791 215 H MET 38 HN MET 38 -3.082 -8.971 4.615 216 HA MET 38 HA MET 38 -0.767 -10.491 5.608 217 HB2 MET 38 HB2 MET 38 -1.427 -10.012 2.695 218 HB3 MET 38 HB1 MET 38 -0.134 -11.015 3.340 219 HG2 MET 38 HG2 MET 38 -1.615 -12.672 4.053 220 HG3 MET 38 HG1 MET 38 -3.011 -11.603 3.926 221 HE1 MET 38 HE1 MET 38 -3.778 -11.436 0.193 222 HE2 MET 38 HE2 MET 38 -3.369 -10.340 1.513 223 HE3 MET 38 HE3 MET 38 -4.583 -11.596 1.754 224 H GLN 39 HN GLN 39 -0.508 -8.632 2.702 225 HA GLN 39 HA GLN 39 0.181 -6.175 3.991 226 HB2 GLN 39 HB2 GLN 39 2.295 -8.075 3.134 227 HB3 GLN 39 HB1 GLN 39 2.531 -6.391 2.691 228 HG2 GLN 39 HG2 GLN 39 2.280 -5.758 5.056 229 HG3 GLN 39 HG1 GLN 39 2.124 -7.464 5.473 230 HE21 GLN 39 HE21 GLN 39 3.917 -8.741 5.545 231 HE22 GLN 39 HE22 GLN 39 5.526 -8.137 5.375 232 H HIS 40 HN HIS 40 -1.601 -5.619 2.465 233 HA HIS 40 HA HIS 40 -0.541 -4.607 0.014 234 HB2 HIS 40 HB2 HIS 40 -1.209 -7.286 -0.120 235 HB3 HIS 40 HB1 HIS 40 -2.622 -6.481 -0.793 236 HD1 HIS 40 HD1 HIS 40 -2.440 -5.653 -3.150 237 HD2 HIS 40 HD2 HIS 40 1.249 -6.674 -1.536 238 HE1 HIS 40 HE1 HIS 40 -0.813 -5.527 -5.062 239 HE2 HIS 40 HE2 HIS 40 1.389 -6.265 -4.085 240 H CYS 41 HN CYS 41 -2.608 -4.307 -1.589 241 HA CYS 41 HA CYS 41 -4.843 -3.225 -0.038 242 HB2 CYS 41 HB2 CYS 41 -4.793 -1.151 -1.433 243 HB3 CYS 41 HB1 CYS 41 -3.413 -1.309 -0.352 244 H CYS 42 HN CYS 42 -6.808 -3.264 -1.097 245 HA CYS 42 HA CYS 42 -6.825 -4.606 -3.711 246 HB2 CYS 42 HB2 CYS 42 -8.505 -4.895 -1.278 247 HB3 CYS 42 HB1 CYS 42 -9.330 -5.031 -2.828 248 HA PRO 43 HA PRO 43 -8.576 -1.199 -5.865 249 HB2 PRO 43 HB2 PRO 43 -10.710 -3.171 -6.593 250 HB3 PRO 43 HB1 PRO 43 -9.837 -2.028 -7.624 251 HG2 PRO 43 HG2 PRO 43 -9.146 -4.584 -7.607 252 HG3 PRO 43 HG1 PRO 43 -7.903 -3.317 -7.638 253 HD2 PRO 43 HD2 PRO 43 -8.755 -5.079 -5.395 254 HD3 PRO 43 HD1 PRO 43 -7.157 -4.396 -5.754 255 H ALA 44 HN ALA 44 -10.155 0.317 -5.734 256 HA ALA 44 HA ALA 44 -11.488 0.721 -3.363 257 HB1 ALA 44 HB1 ALA 44 -12.385 1.804 -6.027 258 HB2 ALA 44 HB2 ALA 44 -11.020 2.437 -5.107 259 HB3 ALA 44 HB3 ALA 44 -12.648 2.517 -4.436 260 H GLY 45 HN GLY 45 -13.236 -0.115 -2.451 261 HA2 GLY 45 HA2 GLY 45 -15.364 -0.978 -2.242 262 HA3 GLY 45 HA1 GLY 45 -15.547 -0.854 -3.982 263 H TYR 46 HN TYR 46 -12.754 -2.609 -2.916 264 HA TYR 46 HA TYR 46 -14.211 -5.126 -3.393 265 HB2 TYR 46 HB2 TYR 46 -11.474 -4.277 -4.326 266 HB3 TYR 46 HB1 TYR 46 -11.944 -5.971 -4.245 267 HD1 TYR 46 HD1 TYR 46 -13.197 -6.953 -5.975 268 HD2 TYR 46 HD2 TYR 46 -12.841 -2.718 -5.795 269 HE1 TYR 46 HE1 TYR 46 -14.233 -6.777 -8.199 270 HE2 TYR 46 HE2 TYR 46 -13.875 -2.529 -8.016 271 HH TYR 46 HH TYR 46 -14.660 -5.389 -9.930 272 H LYS 47 HN LYS 47 -13.147 -7.043 -2.394 273 HA LYS 47 HA LYS 47 -11.646 -6.353 0.038 274 HB2 LYS 47 HB2 LYS 47 -13.020 -7.696 1.416 275 HB3 LYS 47 HB1 LYS 47 -14.121 -6.715 0.458 276 HG2 LYS 47 HG2 LYS 47 -15.175 -8.600 -0.044 277 HG3 LYS 47 HG1 LYS 47 -13.787 -9.006 -1.056 278 HD2 LYS 47 HD2 LYS 47 -12.994 -10.533 0.416 279 HD3 LYS 47 HD1 LYS 47 -13.503 -9.593 1.821 280 HE2 LYS 47 HE2 LYS 47 -15.906 -10.285 0.843 281 HE3 LYS 47 HE1 LYS 47 -14.953 -11.659 0.285 282 HZ1 LYS 47 HZ1 LYS 47 -14.376 -12.226 2.467 283 HZ2 LYS 47 HZ2 LYS 47 -16.025 -11.858 2.549 284 HZ3 LYS 47 HZ3 LYS 47 -14.881 -10.737 3.096 285 H CYS 48 HN CYS 48 -10.456 -8.131 0.981 286 HA CYS 48 HA CYS 48 -9.315 -9.836 -1.068 287 HB2 CYS 48 HB2 CYS 48 -8.494 -9.894 1.818 288 HB3 CYS 48 HB1 CYS 48 -7.516 -10.177 0.382 289 H GLY 49 HN GLY 49 -9.963 -11.850 -1.444 290 HA2 GLY 49 HA2 GLY 49 -11.280 -13.319 0.757 291 HA3 GLY 49 HA1 GLY 49 -11.810 -13.429 -0.915 292 HA PRO 50 HA PRO 50 -8.916 -17.013 0.221 293 HB2 PRO 50 HB2 PRO 50 -10.973 -18.355 -1.460 294 HB3 PRO 50 HB1 PRO 50 -10.198 -18.911 0.028 295 HG2 PRO 50 HG2 PRO 50 -12.708 -18.028 0.058 296 HG3 PRO 50 HG1 PRO 50 -11.593 -17.647 1.384 297 HD2 PRO 50 HD2 PRO 50 -12.534 -15.914 -0.862 298 HD3 PRO 50 HD1 PRO 50 -12.214 -15.492 0.833 299 H GLY 51 HN GLY 51 -7.187 -17.235 -1.038 300 HA2 GLY 51 HA2 GLY 51 -6.315 -18.070 -3.169 301 HA3 GLY 51 HA1 GLY 51 -7.558 -17.119 -3.966 302 H GLY 52 HN GLY 52 -6.973 -14.927 -1.915 303 HA2 GLY 52 HA2 GLY 52 -5.360 -13.262 -1.565 304 HA3 GLY 52 HA1 GLY 52 -4.311 -14.065 -2.722 305 H THR 53 HN THR 53 -7.649 -13.334 -3.440 306 HA THR 53 HA THR 53 -6.742 -11.212 -5.276 307 HB THR 53 HB THR 53 -7.876 -12.082 -7.019 308 HG1 THR 53 HG1 THR 53 -9.932 -11.696 -6.217 309 HG21 THR 53 HG21 THR 53 -6.597 -14.026 -6.014 310 HG22 THR 53 HG22 THR 53 -7.913 -14.452 -7.109 311 HG23 THR 53 HG23 THR 53 -8.138 -14.585 -5.364 312 H CYS 54 HN CYS 54 -8.637 -9.783 -5.973 313 HA CYS 54 HA CYS 54 -10.177 -9.096 -3.565 314 HB2 CYS 54 HB2 CYS 54 -9.707 -7.266 -5.910 315 HB3 CYS 54 HB1 CYS 54 -10.168 -6.840 -4.265 316 H ILE 55 HN ILE 55 -12.285 -9.389 -3.571 317 HA ILE 55 HA ILE 55 -13.698 -9.547 -6.152 318 HB ILE 55 HB ILE 55 -15.187 -11.237 -5.215 319 HG12 ILE 55 HG12 ILE 55 -13.439 -11.768 -2.884 320 HG13 ILE 55 HG11 ILE 55 -14.452 -10.333 -2.773 321 HG21 ILE 55 HG21 ILE 55 -12.247 -11.744 -5.283 322 HG22 ILE 55 HG22 ILE 55 -13.505 -12.265 -6.405 323 HG23 ILE 55 HG23 ILE 55 -13.347 -13.046 -4.831 324 HD11 ILE 55 HD11 ILE 55 -15.289 -12.663 -1.921 325 HD12 ILE 55 HD12 ILE 55 -15.705 -12.890 -3.619 326 HD13 ILE 55 HD13 ILE 55 -16.388 -11.537 -2.717 327 H SER 56 HN SER 56 -16.241 -9.588 -5.506 328 HA SER 56 HA SER 56 -16.641 -7.139 -3.922 329 HB2 SER 56 HB2 SER 56 -18.803 -6.987 -5.292 330 HB3 SER 56 HB1 SER 56 -17.292 -6.680 -6.149 331 HG SER 56 HG SER 56 -18.519 -8.083 -7.374 Start of MODEL 3 1 H1 ASP 1 HT1 ASP 1 1.913 15.274 -4.791 2 H2 ASP 1 HT2 ASP 1 3.584 15.168 -5.033 3 H3 ASP 1 HT3 ASP 1 2.975 15.985 -3.683 4 HA ASP 1 HA ASP 1 2.806 13.077 -4.222 5 HB2 ASP 1 HB2 ASP 1 4.188 14.589 -1.995 6 HB3 ASP 1 HB1 ASP 1 4.286 12.861 -2.320 7 H VAL 2 HN VAL 2 2.338 12.065 -1.879 8 HA VAL 2 HA VAL 2 0.044 13.486 -0.704 9 HB VAL 2 HB VAL 2 0.052 10.517 -1.259 10 HG11 VAL 2 HG11 VAL 2 -1.924 10.411 -0.193 11 HG12 VAL 2 HG12 VAL 2 -2.469 11.960 -0.833 12 HG13 VAL 2 HG13 VAL 2 -1.398 11.912 0.567 13 HG21 VAL 2 HG21 VAL 2 0.010 11.953 -3.334 14 HG22 VAL 2 HG22 VAL 2 -1.529 12.596 -2.758 15 HG23 VAL 2 HG23 VAL 2 -1.371 10.877 -3.120 16 H GLN 3 HN GLN 3 0.340 13.747 1.407 17 HA GLN 3 HA GLN 3 2.426 12.615 2.878 18 HB2 GLN 3 HB2 GLN 3 -0.085 14.074 3.602 19 HB3 GLN 3 HB1 GLN 3 0.868 13.329 4.879 20 HG2 GLN 3 HG2 GLN 3 2.708 14.720 3.313 21 HG3 GLN 3 HG1 GLN 3 1.311 15.787 3.453 22 HE21 GLN 3 HE21 GLN 3 0.369 15.582 5.843 23 HE22 GLN 3 HE22 GLN 3 1.549 15.879 7.069 24 H CYS 4 HN CYS 4 2.521 10.414 2.767 25 HA CYS 4 HA CYS 4 0.512 8.562 2.913 26 HB2 CYS 4 HB2 CYS 4 3.384 8.495 3.750 27 HB3 CYS 4 HB1 CYS 4 2.351 7.108 4.079 28 H GLY 5 HN GLY 5 2.221 10.061 5.630 29 HA2 GLY 5 HA2 GLY 5 0.328 10.379 7.441 30 HA3 GLY 5 HA1 GLY 5 0.502 8.631 7.510 31 H GLY 6 HN GLY 6 2.656 7.764 8.084 32 HA2 GLY 6 HA2 GLY 6 3.799 9.397 10.187 33 HA3 GLY 6 HA1 GLY 6 4.118 7.697 9.887 34 H GLY 7 HN GLY 7 4.578 10.794 8.153 35 HA2 GLY 7 HA2 GLY 7 6.549 11.750 7.436 36 HA3 GLY 7 HA1 GLY 7 7.422 10.402 8.134 37 H PHE 8 HN PHE 8 5.141 9.012 6.126 38 HA PHE 8 HA PHE 8 7.189 8.745 4.054 39 HB2 PHE 8 HB2 PHE 8 5.083 7.035 5.082 40 HB3 PHE 8 HB1 PHE 8 5.058 7.119 3.327 41 HD1 PHE 8 HD1 PHE 8 7.186 6.324 6.241 42 HD2 PHE 8 HD2 PHE 8 6.668 6.002 2.030 43 HE1 PHE 8 HE1 PHE 8 9.042 4.712 6.141 44 HE2 PHE 8 HE2 PHE 8 8.522 4.389 1.921 45 HZ PHE 8 HZ PHE 8 9.711 3.741 3.978 46 H SER 9 HN SER 9 5.927 8.220 1.812 47 HA SER 9 HA SER 9 3.782 9.961 1.155 48 HB2 SER 9 HB2 SER 9 6.539 11.000 0.912 49 HB3 SER 9 HB1 SER 9 5.516 11.232 -0.505 50 HG SER 9 HG SER 9 4.732 12.854 0.563 51 H CYS 10 HN CYS 10 3.212 9.880 -1.098 52 HA CYS 10 HA CYS 10 4.596 7.799 -2.644 53 HB2 CYS 10 HB2 CYS 10 1.639 8.034 -2.097 54 HB3 CYS 10 HB1 CYS 10 2.265 7.123 -3.464 55 H HIS 11 HN HIS 11 3.553 7.829 -4.993 56 HA HIS 11 HA HIS 11 3.931 10.550 -5.928 57 HB2 HIS 11 HB2 HIS 11 4.621 8.072 -6.944 58 HB3 HIS 11 HB1 HIS 11 3.271 8.561 -7.963 59 HD1 HIS 11 HD1 HIS 11 3.617 10.636 -9.476 60 HD2 HIS 11 HD2 HIS 11 6.963 9.564 -7.257 61 HE1 HIS 11 HE1 HIS 11 5.530 11.930 -10.473 62 HE2 HIS 11 HE2 HIS 11 7.556 11.209 -9.161 63 H ASP 12 HN ASP 12 2.492 11.388 -7.690 64 HA ASP 12 HA ASP 12 -0.126 11.667 -6.780 65 HB2 ASP 12 HB2 ASP 12 1.310 12.344 -9.303 66 HB3 ASP 12 HB1 ASP 12 -0.449 12.406 -9.319 67 H GLY 13 HN GLY 13 -1.894 10.451 -6.957 68 HA2 GLY 13 HA2 GLY 13 -3.431 9.097 -8.150 69 HA3 GLY 13 HA1 GLY 13 -2.117 8.563 -9.185 70 H GLU 14 HN GLU 14 -0.731 8.324 -6.286 71 HA GLU 14 HA GLU 14 -1.545 5.516 -6.032 72 HB2 GLU 14 HB2 GLU 14 0.773 6.582 -4.507 73 HB3 GLU 14 HB1 GLU 14 0.548 5.010 -5.256 74 HG2 GLU 14 HG2 GLU 14 0.760 7.333 -7.070 75 HG3 GLU 14 HG1 GLU 14 2.220 6.847 -6.207 76 H THR 15 HN THR 15 -1.577 4.591 -3.852 77 HA THR 15 HA THR 15 -2.701 6.477 -1.880 78 HB THR 15 HB THR 15 -3.573 3.623 -2.376 79 HG1 THR 15 HG1 THR 15 -4.244 5.629 -3.747 80 HG21 THR 15 HG21 THR 15 -3.705 4.218 -0.005 81 HG22 THR 15 HG22 THR 15 -5.315 4.081 -0.711 82 HG23 THR 15 HG23 THR 15 -4.614 5.672 -0.415 83 H CYS 16 HN CYS 16 -1.996 6.346 0.179 84 HA CYS 16 HA CYS 16 0.273 4.599 0.680 85 HB2 CYS 16 HB2 CYS 16 -0.891 6.864 2.307 86 HB3 CYS 16 HB1 CYS 16 0.575 5.973 2.719 87 H CYS 17 HN CYS 17 0.130 2.764 1.759 88 HA CYS 17 HA CYS 17 -2.078 2.396 3.666 89 HB2 CYS 17 HB2 CYS 17 -1.036 0.449 1.605 90 HB3 CYS 17 HB1 CYS 17 -2.029 -0.049 2.971 91 HA PRO 18 HA PRO 18 1.468 1.367 6.198 92 HB2 PRO 18 HB2 PRO 18 0.258 1.480 8.570 93 HB3 PRO 18 HB1 PRO 18 0.510 2.946 7.614 94 HG2 PRO 18 HG2 PRO 18 -1.972 1.319 7.972 95 HG3 PRO 18 HG1 PRO 18 -1.787 3.080 7.896 96 HD2 PRO 18 HD2 PRO 18 -2.569 1.447 5.781 97 HD3 PRO 18 HD1 PRO 18 -1.935 3.094 5.623 98 H THR 19 HN THR 19 1.324 -0.835 5.127 99 HA THR 19 HA THR 19 -0.180 -2.880 6.471 100 HB THR 19 HB THR 19 0.665 -4.386 4.884 101 HG1 THR 19 HG1 THR 19 2.563 -3.635 3.559 102 HG21 THR 19 HG21 THR 19 0.923 -1.922 3.219 103 HG22 THR 19 HG22 THR 19 -0.612 -2.252 4.021 104 HG23 THR 19 HG23 THR 19 0.056 -3.422 2.884 105 H SER 20 HN SER 20 2.220 -1.218 7.677 106 HA SER 20 HA SER 20 3.212 -3.455 9.246 107 HB2 SER 20 HB2 SER 20 4.870 -1.881 7.349 108 HB3 SER 20 HB1 SER 20 5.585 -2.240 8.921 109 HG SER 20 HG SER 20 5.630 -3.820 6.937 110 H GLN 21 HN GLN 21 5.336 -0.938 9.631 111 HA GLN 21 HA GLN 21 3.686 0.694 11.360 112 HB2 GLN 21 HB2 GLN 21 5.359 -1.456 12.385 113 HB3 GLN 21 HB1 GLN 21 5.804 0.106 13.060 114 HG2 GLN 21 HG2 GLN 21 2.929 -0.621 12.998 115 HG3 GLN 21 HG1 GLN 21 3.971 -1.427 14.170 116 HE21 GLN 21 HE21 GLN 21 3.007 1.756 12.987 117 HE22 GLN 21 HE22 GLN 21 3.202 2.575 14.495 118 H THR 22 HN THR 22 6.678 -0.016 9.765 119 HA THR 22 HA THR 22 7.472 2.806 10.063 120 HB THR 22 HB THR 22 9.002 1.452 11.382 121 HG1 THR 22 HG1 THR 22 10.546 1.976 9.108 122 HG21 THR 22 HG21 THR 22 9.783 -0.553 10.767 123 HG22 THR 22 HG22 THR 22 10.262 0.035 9.175 124 HG23 THR 22 HG23 THR 22 8.602 -0.489 9.459 125 H THR 23 HN THR 23 6.293 0.641 7.977 126 HA THR 23 HA THR 23 7.690 1.857 5.685 127 HB THR 23 HB THR 23 7.465 -0.209 4.424 128 HG1 THR 23 HG1 THR 23 6.646 -1.590 6.743 129 HG21 THR 23 HG21 THR 23 8.747 -1.684 6.359 130 HG22 THR 23 HG22 THR 23 9.011 -0.024 6.894 131 HG23 THR 23 HG23 THR 23 9.515 -0.521 5.279 132 H TRP 24 HN TRP 24 6.436 2.420 3.927 133 HA TRP 24 HA TRP 24 3.524 2.092 4.245 134 HB2 TRP 24 HB2 TRP 24 5.133 4.542 3.631 135 HB3 TRP 24 HB1 TRP 24 3.510 4.389 2.965 136 HD1 TRP 24 HD1 TRP 24 5.344 4.783 6.300 137 HE1 TRP 24 HE1 TRP 24 3.650 5.529 8.089 138 HE3 TRP 24 HE3 TRP 24 1.076 4.340 3.571 139 HZ2 TRP 24 HZ2 TRP 24 0.851 5.880 8.300 140 HZ3 TRP 24 HZ3 TRP 24 -1.076 4.890 4.626 141 HH2 TRP 24 HH2 TRP 24 -1.179 5.649 6.938 142 H GLY 25 HN GLY 25 2.403 1.464 2.469 143 HA2 GLY 25 HA2 GLY 25 3.999 0.949 0.049 144 HA3 GLY 25 HA1 GLY 25 2.540 0.085 0.507 145 H CYS 26 HN CYS 26 3.345 1.554 -1.967 146 HA CYS 26 HA CYS 26 1.206 3.569 -2.066 147 HB2 CYS 26 HB2 CYS 26 3.469 3.113 -4.024 148 HB3 CYS 26 HB1 CYS 26 2.293 4.420 -4.084 149 H CYS 27 HN CYS 27 -0.622 3.083 -3.111 150 HA CYS 27 HA CYS 27 -0.569 0.854 -5.036 151 HB2 CYS 27 HB2 CYS 27 -2.140 1.204 -2.636 152 HB3 CYS 27 HB1 CYS 27 -3.184 1.052 -4.044 153 HA PRO 28 HA PRO 28 -2.124 4.049 -7.765 154 HB2 PRO 28 HB2 PRO 28 -2.386 2.497 -9.969 155 HB3 PRO 28 HB1 PRO 28 -0.818 3.081 -9.398 156 HG2 PRO 28 HG2 PRO 28 -2.103 0.405 -8.995 157 HG3 PRO 28 HG1 PRO 28 -0.424 0.785 -9.424 158 HD2 PRO 28 HD2 PRO 28 -1.175 0.153 -6.899 159 HD3 PRO 28 HD1 PRO 28 0.153 1.278 -7.246 160 H SER 29 HN SER 29 -4.109 4.087 -6.439 161 HA SER 29 HA SER 29 -6.403 3.451 -8.003 162 HB2 SER 29 HB2 SER 29 -5.523 1.424 -6.231 163 HB3 SER 29 HB1 SER 29 -6.957 2.147 -5.502 164 HG SER 29 HG SER 29 -7.479 0.442 -6.942 165 HA PRO 30 HA PRO 30 -8.064 6.780 -5.632 166 HB2 PRO 30 HB2 PRO 30 -10.715 6.173 -5.503 167 HB3 PRO 30 HB1 PRO 30 -9.927 6.753 -6.974 168 HG2 PRO 30 HG2 PRO 30 -10.633 3.956 -6.180 169 HG3 PRO 30 HG1 PRO 30 -10.811 4.752 -7.754 170 HD2 PRO 30 HD2 PRO 30 -8.772 3.063 -7.207 171 HD3 PRO 30 HD1 PRO 30 -8.595 4.449 -8.303 172 H LYS 31 HN LYS 31 -10.735 5.675 -4.174 173 HA LYS 31 HA LYS 31 -9.477 5.556 -1.590 174 HB2 LYS 31 HB2 LYS 31 -11.846 6.520 -2.387 175 HB3 LYS 31 HB1 LYS 31 -12.361 4.909 -1.907 176 HG2 LYS 31 HG2 LYS 31 -11.253 5.325 0.307 177 HG3 LYS 31 HG1 LYS 31 -11.044 7.002 -0.202 178 HD2 LYS 31 HD2 LYS 31 -13.052 7.294 0.774 179 HD3 LYS 31 HD1 LYS 31 -13.674 6.628 -0.738 180 HE2 LYS 31 HE2 LYS 31 -12.912 4.521 1.072 181 HE3 LYS 31 HE1 LYS 31 -14.047 5.625 1.846 182 HZ1 LYS 31 HZ1 LYS 31 -15.688 4.737 0.681 183 HZ2 LYS 31 HZ2 LYS 31 -14.611 3.619 0.009 184 HZ3 LYS 31 HZ3 LYS 31 -14.908 5.085 -0.780 185 H ALA 32 HN ALA 32 -8.394 3.492 -2.784 186 HA ALA 32 HA ALA 32 -9.825 1.050 -2.682 187 HB1 ALA 32 HB1 ALA 32 -6.880 1.028 -2.354 188 HB2 ALA 32 HB2 ALA 32 -7.527 1.760 -3.822 189 HB3 ALA 32 HB3 ALA 32 -7.910 0.084 -3.430 190 H VAL 33 HN VAL 33 -9.432 -0.744 -1.228 191 HA VAL 33 HA VAL 33 -9.141 0.153 1.544 192 HB VAL 33 HB VAL 33 -9.996 -2.602 0.681 193 HG11 VAL 33 HG11 VAL 33 -9.577 -2.537 2.984 194 HG12 VAL 33 HG12 VAL 33 -11.324 -2.343 2.849 195 HG13 VAL 33 HG13 VAL 33 -10.303 -0.940 3.161 196 HG21 VAL 33 HG21 VAL 33 -11.336 -0.691 -0.408 197 HG22 VAL 33 HG22 VAL 33 -11.958 -0.400 1.216 198 HG23 VAL 33 HG23 VAL 33 -12.222 -1.960 0.437 199 H CYS 34 HN CYS 34 -7.272 -0.188 2.582 200 HA CYS 34 HA CYS 34 -5.145 -1.625 1.368 201 HB2 CYS 34 HB2 CYS 34 -5.290 -0.673 4.232 202 HB3 CYS 34 HB1 CYS 34 -3.841 -1.013 3.292 203 H CYS 35 HN CYS 35 -5.477 -3.787 1.127 204 HA CYS 35 HA CYS 35 -6.710 -5.531 2.920 205 HB2 CYS 35 HB2 CYS 35 -4.449 -6.101 0.985 206 HB3 CYS 35 HB1 CYS 35 -5.424 -7.331 1.783 207 H ASP 36 HN ASP 36 -6.212 -5.779 4.961 208 HA ASP 36 HA ASP 36 -3.441 -5.492 5.849 209 HB2 ASP 36 HB2 ASP 36 -6.048 -5.472 7.369 210 HB3 ASP 36 HB1 ASP 36 -4.465 -5.367 8.134 211 H ASP 37 HN ASP 37 -5.647 -8.024 5.188 212 HA ASP 37 HA ASP 37 -5.114 -9.847 7.214 213 HB2 ASP 37 HB2 ASP 37 -6.701 -10.019 5.153 214 HB3 ASP 37 HB1 ASP 37 -5.301 -10.715 4.341 215 H MET 38 HN MET 38 -3.314 -9.063 4.304 216 HA MET 38 HA MET 38 -0.974 -10.443 5.425 217 HB2 MET 38 HB2 MET 38 -1.992 -10.501 2.586 218 HB3 MET 38 HB1 MET 38 -0.324 -10.883 2.988 219 HG2 MET 38 HG2 MET 38 -1.741 -12.457 4.729 220 HG3 MET 38 HG1 MET 38 -2.737 -12.483 3.276 221 HE1 MET 38 HE1 MET 38 -0.577 -15.652 3.974 222 HE2 MET 38 HE2 MET 38 -1.758 -15.598 2.665 223 HE3 MET 38 HE3 MET 38 -2.123 -14.837 4.214 224 H GLN 39 HN GLN 39 -0.899 -8.878 2.323 225 HA GLN 39 HA GLN 39 -0.127 -6.310 3.358 226 HB2 GLN 39 HB2 GLN 39 1.881 -8.293 2.788 227 HB3 GLN 39 HB1 GLN 39 2.031 -6.960 1.653 228 HG2 GLN 39 HG2 GLN 39 2.297 -5.386 3.421 229 HG3 GLN 39 HG1 GLN 39 1.902 -6.603 4.634 230 HE21 GLN 39 HE21 GLN 39 3.490 -7.804 5.467 231 HE22 GLN 39 HE22 GLN 39 5.133 -7.786 4.933 232 H HIS 40 HN HIS 40 -2.020 -5.795 2.014 233 HA HIS 40 HA HIS 40 -1.201 -5.176 -0.686 234 HB2 HIS 40 HB2 HIS 40 -2.223 -7.690 -0.365 235 HB3 HIS 40 HB1 HIS 40 -3.652 -6.774 -0.833 236 HD1 HIS 40 HD1 HIS 40 -3.595 -5.635 -3.200 237 HD2 HIS 40 HD2 HIS 40 -0.392 -8.154 -2.384 238 HE1 HIS 40 HE1 HIS 40 -2.496 -6.067 -5.421 239 HE2 HIS 40 HE2 HIS 40 -0.538 -7.564 -4.898 240 H CYS 41 HN CYS 41 -3.401 -4.707 -2.006 241 HA CYS 41 HA CYS 41 -5.259 -3.147 -0.393 242 HB2 CYS 41 HB2 CYS 41 -4.861 -1.097 -1.425 243 HB3 CYS 41 HB1 CYS 41 -3.233 -1.735 -1.225 244 H CYS 42 HN CYS 42 -7.260 -2.810 -1.410 245 HA CYS 42 HA CYS 42 -7.646 -4.300 -3.920 246 HB2 CYS 42 HB2 CYS 42 -9.044 -4.417 -1.340 247 HB3 CYS 42 HB1 CYS 42 -10.118 -4.278 -2.725 248 HA PRO 43 HA PRO 43 -8.839 -0.456 -5.811 249 HB2 PRO 43 HB2 PRO 43 -10.748 -2.292 -7.206 250 HB3 PRO 43 HB1 PRO 43 -9.695 -1.040 -7.881 251 HG2 PRO 43 HG2 PRO 43 -9.008 -3.591 -8.075 252 HG3 PRO 43 HG1 PRO 43 -7.789 -2.359 -7.695 253 HD2 PRO 43 HD2 PRO 43 -9.071 -4.368 -5.906 254 HD3 PRO 43 HD1 PRO 43 -7.421 -3.713 -5.873 255 H ALA 44 HN ALA 44 -10.220 1.055 -5.228 256 HA ALA 44 HA ALA 44 -12.109 0.881 -3.282 257 HB1 ALA 44 HB1 ALA 44 -13.139 2.958 -4.378 258 HB2 ALA 44 HB2 ALA 44 -11.865 2.785 -5.585 259 HB3 ALA 44 HB3 ALA 44 -11.446 3.035 -3.891 260 H GLY 45 HN GLY 45 -13.704 -0.580 -3.221 261 HA2 GLY 45 HA2 GLY 45 -16.091 -0.728 -3.907 262 HA3 GLY 45 HA1 GLY 45 -15.500 -0.726 -5.562 263 H TYR 46 HN TYR 46 -13.303 -2.485 -3.836 264 HA TYR 46 HA TYR 46 -14.794 -4.996 -4.198 265 HB2 TYR 46 HB2 TYR 46 -11.965 -4.365 -5.050 266 HB3 TYR 46 HB1 TYR 46 -12.583 -6.007 -4.916 267 HD1 TYR 46 HD1 TYR 46 -12.779 -2.863 -6.803 268 HD2 TYR 46 HD2 TYR 46 -14.140 -6.886 -6.541 269 HE1 TYR 46 HE1 TYR 46 -13.660 -2.708 -9.093 270 HE2 TYR 46 HE2 TYR 46 -15.025 -6.742 -8.832 271 HH TYR 46 HH TYR 46 -15.850 -4.618 -10.355 272 H LYS 47 HN LYS 47 -13.827 -6.826 -2.972 273 HA LYS 47 HA LYS 47 -12.614 -5.876 -0.460 274 HB2 LYS 47 HB2 LYS 47 -15.042 -6.816 -0.486 275 HB3 LYS 47 HB1 LYS 47 -14.259 -8.382 -0.648 276 HG2 LYS 47 HG2 LYS 47 -13.188 -6.699 1.499 277 HG3 LYS 47 HG1 LYS 47 -14.870 -7.188 1.707 278 HD2 LYS 47 HD2 LYS 47 -13.376 -9.439 0.804 279 HD3 LYS 47 HD1 LYS 47 -12.523 -8.709 2.165 280 HE2 LYS 47 HE2 LYS 47 -14.778 -8.692 3.354 281 HE3 LYS 47 HE1 LYS 47 -15.335 -9.765 2.071 282 HZ1 LYS 47 HZ1 LYS 47 -12.851 -10.596 3.253 283 HZ2 LYS 47 HZ2 LYS 47 -14.259 -11.486 2.960 284 HZ3 LYS 47 HZ3 LYS 47 -14.128 -10.551 4.362 285 H CYS 48 HN CYS 48 -11.203 -7.391 0.647 286 HA CYS 48 HA CYS 48 -9.580 -8.880 -1.255 287 HB2 CYS 48 HB2 CYS 48 -9.012 -7.339 1.018 288 HB3 CYS 48 HB1 CYS 48 -8.627 -8.996 1.472 289 H GLY 49 HN GLY 49 -9.900 -10.976 -1.578 290 HA2 GLY 49 HA2 GLY 49 -11.340 -12.534 0.438 291 HA3 GLY 49 HA1 GLY 49 -11.050 -13.011 -1.229 292 HA PRO 50 HA PRO 50 -7.918 -15.117 1.522 293 HB2 PRO 50 HB2 PRO 50 -8.808 -17.634 1.448 294 HB3 PRO 50 HB1 PRO 50 -9.514 -16.447 2.552 295 HG2 PRO 50 HG2 PRO 50 -10.549 -17.449 -0.069 296 HG3 PRO 50 HG1 PRO 50 -11.432 -17.125 1.433 297 HD2 PRO 50 HD2 PRO 50 -11.310 -15.400 -0.722 298 HD3 PRO 50 HD1 PRO 50 -11.673 -14.908 0.943 299 H GLY 51 HN GLY 51 -8.525 -14.788 -1.591 300 HA2 GLY 51 HA2 GLY 51 -6.665 -16.923 -2.432 301 HA3 GLY 51 HA1 GLY 51 -7.903 -16.238 -3.473 302 H GLY 52 HN GLY 52 -6.336 -13.957 -1.498 303 HA2 GLY 52 HA2 GLY 52 -4.764 -12.332 -1.915 304 HA3 GLY 52 HA1 GLY 52 -4.041 -13.434 -3.078 305 H THR 53 HN THR 53 -7.369 -12.572 -3.440 306 HA THR 53 HA THR 53 -6.707 -10.548 -5.458 307 HB THR 53 HB THR 53 -8.694 -11.679 -6.791 308 HG1 THR 53 HG1 THR 53 -7.488 -14.019 -5.779 309 HG21 THR 53 HG21 THR 53 -6.754 -11.477 -8.001 310 HG22 THR 53 HG22 THR 53 -6.827 -13.231 -7.829 311 HG23 THR 53 HG23 THR 53 -5.776 -12.284 -6.776 312 H CYS 54 HN CYS 54 -8.693 -9.358 -6.194 313 HA CYS 54 HA CYS 54 -10.376 -8.831 -3.865 314 HB2 CYS 54 HB2 CYS 54 -10.090 -7.250 -6.429 315 HB3 CYS 54 HB1 CYS 54 -10.978 -6.747 -4.994 316 H ILE 55 HN ILE 55 -12.513 -9.214 -3.798 317 HA ILE 55 HA ILE 55 -13.837 -10.122 -6.266 318 HB ILE 55 HB ILE 55 -15.182 -11.677 -4.816 319 HG12 ILE 55 HG12 ILE 55 -12.982 -11.622 -2.807 320 HG13 ILE 55 HG11 ILE 55 -14.201 -10.355 -2.712 321 HG21 ILE 55 HG21 ILE 55 -13.679 -12.829 -6.099 322 HG22 ILE 55 HG22 ILE 55 -13.104 -13.257 -4.487 323 HG23 ILE 55 HG23 ILE 55 -12.285 -11.996 -5.410 324 HD11 ILE 55 HD11 ILE 55 -14.420 -12.678 -1.441 325 HD12 ILE 55 HD12 ILE 55 -15.180 -13.129 -2.968 326 HD13 ILE 55 HD13 ILE 55 -15.817 -11.777 -2.031 327 H SER 56 HN SER 56 -16.245 -10.027 -6.109 328 HA SER 56 HA SER 56 -17.049 -7.431 -5.255 329 HB2 SER 56 HB2 SER 56 -17.939 -8.872 -7.237 330 HB3 SER 56 HB1 SER 56 -18.997 -9.587 -6.020 331 HG SER 56 HG SER 56 -18.882 -6.826 -6.018 Start of MODEL 4 1 H1 ASP 1 HT1 ASP 1 4.504 16.842 -3.814 2 H2 ASP 1 HT2 ASP 1 4.490 16.266 -5.405 3 H3 ASP 1 HT3 ASP 1 5.877 16.088 -4.454 4 HA ASP 1 HA ASP 1 3.876 14.251 -4.791 5 HB2 ASP 1 HB2 ASP 1 5.168 13.138 -2.844 6 HB3 ASP 1 HB1 ASP 1 6.060 13.538 -4.310 7 H VAL 2 HN VAL 2 2.854 12.993 -2.935 8 HA VAL 2 HA VAL 2 1.371 14.889 -1.250 9 HB VAL 2 HB VAL 2 0.486 12.060 -1.514 10 HG11 VAL 2 HG11 VAL 2 -0.912 14.726 -1.386 11 HG12 VAL 2 HG12 VAL 2 -0.785 13.521 -0.104 12 HG13 VAL 2 HG13 VAL 2 -1.737 13.176 -1.548 13 HG21 VAL 2 HG21 VAL 2 -0.159 12.120 -3.678 14 HG22 VAL 2 HG22 VAL 2 1.172 13.266 -3.824 15 HG23 VAL 2 HG23 VAL 2 -0.480 13.852 -3.647 16 H GLN 3 HN GLN 3 1.452 14.778 0.931 17 HA GLN 3 HA GLN 3 3.380 12.981 2.128 18 HB2 GLN 3 HB2 GLN 3 2.327 15.545 2.754 19 HB3 GLN 3 HB1 GLN 3 1.937 14.472 4.093 20 HG2 GLN 3 HG2 GLN 3 4.087 15.703 4.330 21 HG3 GLN 3 HG1 GLN 3 4.222 13.949 4.454 22 HE21 GLN 3 HE21 GLN 3 4.861 16.745 2.470 23 HE22 GLN 3 HE22 GLN 3 6.011 15.988 1.426 24 H CYS 4 HN CYS 4 2.843 11.015 2.786 25 HA CYS 4 HA CYS 4 0.209 10.053 2.941 26 HB2 CYS 4 HB2 CYS 4 1.902 8.435 2.596 27 HB3 CYS 4 HB1 CYS 4 2.819 8.970 4.001 28 H GLY 5 HN GLY 5 2.424 10.015 5.684 29 HA2 GLY 5 HA2 GLY 5 1.594 11.540 7.610 30 HA3 GLY 5 HA1 GLY 5 0.157 10.532 7.477 31 H GLY 6 HN GLY 6 3.675 10.172 7.655 32 HA2 GLY 6 HA2 GLY 6 3.915 8.860 10.038 33 HA3 GLY 6 HA1 GLY 6 3.502 7.587 8.897 34 H GLY 7 HN GLY 7 5.143 10.008 7.291 35 HA2 GLY 7 HA2 GLY 7 7.572 10.359 7.342 36 HA3 GLY 7 HA1 GLY 7 7.730 8.655 7.727 37 H PHE 8 HN PHE 8 5.409 8.356 5.590 38 HA PHE 8 HA PHE 8 7.306 8.261 3.338 39 HB2 PHE 8 HB2 PHE 8 4.928 6.564 4.041 40 HB3 PHE 8 HB1 PHE 8 5.626 6.560 2.422 41 HD1 PHE 8 HD1 PHE 8 6.806 6.306 5.961 42 HD2 PHE 8 HD2 PHE 8 7.142 4.910 1.955 43 HE1 PHE 8 HE1 PHE 8 8.480 4.653 6.682 44 HE2 PHE 8 HE2 PHE 8 8.817 3.256 2.668 45 HZ PHE 8 HZ PHE 8 9.486 3.124 5.035 46 H SER 9 HN SER 9 5.893 8.030 1.181 47 HA SER 9 HA SER 9 3.706 9.919 1.049 48 HB2 SER 9 HB2 SER 9 5.491 10.800 -0.977 49 HB3 SER 9 HB1 SER 9 4.904 11.707 0.417 50 HG SER 9 HG SER 9 6.956 11.684 0.921 51 H CYS 10 HN CYS 10 2.734 9.993 -1.113 52 HA CYS 10 HA CYS 10 3.451 7.676 -2.781 53 HB2 CYS 10 HB2 CYS 10 0.874 8.349 -1.501 54 HB3 CYS 10 HB1 CYS 10 0.773 7.858 -3.186 55 H HIS 11 HN HIS 11 2.571 7.828 -5.005 56 HA HIS 11 HA HIS 11 3.048 10.484 -6.052 57 HB2 HIS 11 HB2 HIS 11 3.796 8.127 -6.999 58 HB3 HIS 11 HB1 HIS 11 2.230 8.202 -7.800 59 HD1 HIS 11 HD1 HIS 11 4.356 11.262 -7.312 60 HD2 HIS 11 HD2 HIS 11 3.293 8.609 -10.330 61 HE1 HIS 11 HE1 HIS 11 5.196 12.298 -9.445 62 HE2 HIS 11 HE2 HIS 11 4.535 10.679 -11.260 63 H ASP 12 HN ASP 12 1.594 11.183 -7.959 64 HA ASP 12 HA ASP 12 -0.952 11.772 -6.960 65 HB2 ASP 12 HB2 ASP 12 0.578 12.693 -9.033 66 HB3 ASP 12 HB1 ASP 12 -0.700 11.837 -9.892 67 H GLY 13 HN GLY 13 -2.821 10.711 -6.971 68 HA2 GLY 13 HA2 GLY 13 -4.501 9.334 -7.869 69 HA3 GLY 13 HA1 GLY 13 -3.323 8.661 -8.985 70 H GLU 14 HN GLU 14 -1.633 8.497 -6.277 71 HA GLU 14 HA GLU 14 -2.610 5.790 -5.694 72 HB2 GLU 14 HB2 GLU 14 -0.060 6.603 -4.484 73 HB3 GLU 14 HB1 GLU 14 -0.473 5.141 -5.369 74 HG2 GLU 14 HG2 GLU 14 -0.405 7.410 -7.134 75 HG3 GLU 14 HG1 GLU 14 1.104 7.266 -6.234 76 H THR 15 HN THR 15 -2.452 5.031 -3.429 77 HA THR 15 HA THR 15 -2.966 7.190 -1.492 78 HB THR 15 HB THR 15 -4.416 4.536 -1.502 79 HG1 THR 15 HG1 THR 15 -4.823 6.305 -3.255 80 HG21 THR 15 HG21 THR 15 -5.904 6.447 -0.152 81 HG22 THR 15 HG22 THR 15 -4.243 6.784 0.332 82 HG23 THR 15 HG23 THR 15 -4.925 5.177 0.582 83 H CYS 16 HN CYS 16 -2.068 6.911 0.536 84 HA CYS 16 HA CYS 16 -0.083 4.799 0.714 85 HB2 CYS 16 HB2 CYS 16 1.042 6.113 2.212 86 HB3 CYS 16 HB1 CYS 16 0.181 7.347 1.302 87 H CYS 17 HN CYS 17 -0.295 2.997 1.845 88 HA CYS 17 HA CYS 17 -2.345 2.863 3.957 89 HB2 CYS 17 HB2 CYS 17 -3.310 1.032 3.056 90 HB3 CYS 17 HB1 CYS 17 -2.559 1.575 1.560 91 HA PRO 18 HA PRO 18 1.102 1.334 6.302 92 HB2 PRO 18 HB2 PRO 18 -0.114 1.036 8.647 93 HB3 PRO 18 HB1 PRO 18 0.068 2.640 7.931 94 HG2 PRO 18 HG2 PRO 18 -2.336 0.858 7.987 95 HG3 PRO 18 HG1 PRO 18 -2.237 2.611 8.227 96 HD2 PRO 18 HD2 PRO 18 -2.935 1.365 5.841 97 HD3 PRO 18 HD1 PRO 18 -2.342 3.028 5.986 98 H THR 19 HN THR 19 1.881 -0.666 5.906 99 HA THR 19 HA THR 19 0.128 -2.983 6.074 100 HB THR 19 HB THR 19 1.844 -4.230 4.998 101 HG1 THR 19 HG1 THR 19 3.789 -2.386 4.712 102 HG21 THR 19 HG21 THR 19 0.695 -2.842 3.438 103 HG22 THR 19 HG22 THR 19 2.407 -2.768 3.023 104 HG23 THR 19 HG23 THR 19 1.652 -1.431 3.892 105 H SER 20 HN SER 20 2.258 -1.317 8.096 106 HA SER 20 HA SER 20 2.148 -3.468 10.038 107 HB2 SER 20 HB2 SER 20 4.846 -2.254 9.469 108 HB3 SER 20 HB1 SER 20 4.466 -3.706 10.394 109 HG SER 20 HG SER 20 4.297 -3.343 7.589 110 H GLN 21 HN GLN 21 4.619 -1.164 10.569 111 HA GLN 21 HA GLN 21 2.822 0.672 11.962 112 HB2 GLN 21 HB2 GLN 21 4.966 0.384 13.724 113 HB3 GLN 21 HB1 GLN 21 3.317 -0.170 13.969 114 HG2 GLN 21 HG2 GLN 21 4.119 -2.224 14.126 115 HG3 GLN 21 HG1 GLN 21 4.505 -2.142 12.407 116 HE21 GLN 21 HE21 GLN 21 6.621 -1.618 11.777 117 HE22 GLN 21 HE22 GLN 21 7.954 -1.791 12.861 118 H THR 22 HN THR 22 5.788 -0.021 10.371 119 HA THR 22 HA THR 22 6.440 2.847 10.375 120 HB THR 22 HB THR 22 8.907 1.884 10.104 121 HG1 THR 22 HG1 THR 22 7.903 -0.320 10.454 122 HG21 THR 22 HG21 THR 22 7.747 3.393 11.917 123 HG22 THR 22 HG22 THR 22 9.325 2.670 12.227 124 HG23 THR 22 HG23 THR 22 7.872 1.934 12.902 125 H THR 23 HN THR 23 5.288 0.547 8.547 126 HA THR 23 HA THR 23 6.912 1.241 6.187 127 HB THR 23 HB THR 23 5.160 -1.002 5.720 128 HG1 THR 23 HG1 THR 23 5.896 -2.407 7.240 129 HG21 THR 23 HG21 THR 23 7.578 -0.089 4.828 130 HG22 THR 23 HG22 THR 23 6.912 -1.687 4.490 131 HG23 THR 23 HG23 THR 23 8.050 -1.469 5.819 132 H TRP 24 HN TRP 24 5.855 1.758 4.258 133 HA TRP 24 HA TRP 24 2.955 2.140 4.381 134 HB2 TRP 24 HB2 TRP 24 5.026 4.264 3.955 135 HB3 TRP 24 HB1 TRP 24 3.450 4.415 3.187 136 HD1 TRP 24 HD1 TRP 24 5.200 5.038 6.419 137 HE1 TRP 24 HE1 TRP 24 3.515 5.835 8.196 138 HE3 TRP 24 HE3 TRP 24 0.883 3.999 3.939 139 HZ2 TRP 24 HZ2 TRP 24 0.713 6.004 8.496 140 HZ3 TRP 24 HZ3 TRP 24 -1.263 4.518 5.022 141 HH2 TRP 24 HH2 TRP 24 -1.343 5.494 7.253 142 H GLY 25 HN GLY 25 1.908 1.945 2.427 143 HA2 GLY 25 HA2 GLY 25 3.625 1.383 0.087 144 HA3 GLY 25 HA1 GLY 25 2.243 0.374 0.488 145 H CYS 26 HN CYS 26 2.559 1.592 -1.997 146 HA CYS 26 HA CYS 26 0.609 3.791 -1.959 147 HB2 CYS 26 HB2 CYS 26 2.757 2.973 -3.881 148 HB3 CYS 26 HB1 CYS 26 1.375 3.886 -4.475 149 H CYS 27 HN CYS 27 -1.385 3.501 -2.714 150 HA CYS 27 HA CYS 27 -2.021 0.948 -4.021 151 HB2 CYS 27 HB2 CYS 27 -3.603 2.769 -2.224 152 HB3 CYS 27 HB1 CYS 27 -4.416 1.614 -3.272 153 HA PRO 28 HA PRO 28 -2.967 3.355 -7.636 154 HB2 PRO 28 HB2 PRO 28 -3.999 1.404 -9.166 155 HB3 PRO 28 HB1 PRO 28 -2.277 1.464 -8.769 156 HG2 PRO 28 HG2 PRO 28 -4.445 -0.199 -7.547 157 HG3 PRO 28 HG1 PRO 28 -2.796 -0.668 -7.999 158 HD2 PRO 28 HD2 PRO 28 -3.554 -0.050 -5.443 159 HD3 PRO 28 HD1 PRO 28 -1.901 0.153 -6.057 160 H SER 29 HN SER 29 -4.921 3.365 -5.422 161 HA SER 29 HA SER 29 -7.197 4.235 -6.925 162 HB2 SER 29 HB2 SER 29 -7.176 1.546 -5.803 163 HB3 SER 29 HB1 SER 29 -8.506 2.520 -5.178 164 HG SER 29 HG SER 29 -9.411 2.523 -7.090 165 HA PRO 30 HA PRO 30 -7.345 7.007 -3.470 166 HB2 PRO 30 HB2 PRO 30 -10.244 7.182 -4.081 167 HB3 PRO 30 HB1 PRO 30 -9.036 8.466 -3.981 168 HG2 PRO 30 HG2 PRO 30 -9.981 7.658 -6.339 169 HG3 PRO 30 HG1 PRO 30 -8.275 8.098 -6.139 170 HD2 PRO 30 HD2 PRO 30 -9.528 5.389 -6.312 171 HD3 PRO 30 HD1 PRO 30 -7.996 5.968 -6.997 172 H LYS 31 HN LYS 31 -10.531 5.436 -3.616 173 HA LYS 31 HA LYS 31 -10.440 4.964 -0.756 174 HB2 LYS 31 HB2 LYS 31 -12.639 4.267 -2.706 175 HB3 LYS 31 HB1 LYS 31 -12.768 4.361 -0.955 176 HG2 LYS 31 HG2 LYS 31 -11.822 6.857 -1.706 177 HG3 LYS 31 HG1 LYS 31 -13.014 6.444 -2.939 178 HD2 LYS 31 HD2 LYS 31 -14.546 7.172 -1.482 179 HD3 LYS 31 HD1 LYS 31 -14.244 5.673 -0.601 180 HE2 LYS 31 HE2 LYS 31 -12.370 6.941 0.573 181 HE3 LYS 31 HE1 LYS 31 -13.090 8.401 -0.103 182 HZ1 LYS 31 HZ1 LYS 31 -15.165 7.846 1.015 183 HZ2 LYS 31 HZ2 LYS 31 -13.898 7.989 2.128 184 HZ3 LYS 31 HZ3 LYS 31 -14.459 6.458 1.679 185 H ALA 32 HN ALA 32 -8.569 3.462 -2.286 186 HA ALA 32 HA ALA 32 -9.443 0.821 -2.809 187 HB1 ALA 32 HB1 ALA 32 -7.429 0.899 -3.757 188 HB2 ALA 32 HB2 ALA 32 -6.760 0.625 -2.148 189 HB3 ALA 32 HB3 ALA 32 -6.932 2.269 -2.763 190 H VAL 33 HN VAL 33 -8.776 -1.113 -1.588 191 HA VAL 33 HA VAL 33 -8.937 -0.661 1.316 192 HB VAL 33 HB VAL 33 -9.632 -3.239 -0.084 193 HG11 VAL 33 HG11 VAL 33 -10.846 -3.727 1.952 194 HG12 VAL 33 HG12 VAL 33 -10.458 -2.133 2.598 195 HG13 VAL 33 HG13 VAL 33 -9.175 -3.316 2.336 196 HG21 VAL 33 HG21 VAL 33 -11.802 -2.609 -0.448 197 HG22 VAL 33 HG22 VAL 33 -10.987 -1.073 -0.738 198 HG23 VAL 33 HG23 VAL 33 -11.772 -1.376 0.811 199 H CYS 34 HN CYS 34 -6.845 -0.657 1.976 200 HA CYS 34 HA CYS 34 -4.813 -2.239 0.810 201 HB2 CYS 34 HB2 CYS 34 -4.203 -0.215 1.918 202 HB3 CYS 34 HB1 CYS 34 -4.941 -0.738 3.427 203 H CYS 35 HN CYS 35 -5.148 -4.398 0.812 204 HA CYS 35 HA CYS 35 -6.331 -5.957 2.770 205 HB2 CYS 35 HB2 CYS 35 -4.945 -6.425 0.369 206 HB3 CYS 35 HB1 CYS 35 -4.095 -7.367 1.590 207 H ASP 36 HN ASP 36 -5.847 -5.853 4.844 208 HA ASP 36 HA ASP 36 -3.093 -5.501 5.712 209 HB2 ASP 36 HB2 ASP 36 -3.941 -4.826 7.781 210 HB3 ASP 36 HB1 ASP 36 -5.133 -4.222 6.634 211 H ASP 37 HN ASP 37 -5.370 -8.076 5.374 212 HA ASP 37 HA ASP 37 -4.743 -9.772 7.452 213 HB2 ASP 37 HB2 ASP 37 -5.379 -11.611 5.986 214 HB3 ASP 37 HB1 ASP 37 -6.454 -10.242 5.717 215 H MET 38 HN MET 38 -2.992 -9.164 4.470 216 HA MET 38 HA MET 38 -0.636 -10.467 5.639 217 HB2 MET 38 HB2 MET 38 -1.586 -10.687 2.777 218 HB3 MET 38 HB1 MET 38 -0.018 -11.242 3.349 219 HG2 MET 38 HG2 MET 38 -2.489 -12.244 4.673 220 HG3 MET 38 HG1 MET 38 -2.019 -12.899 3.105 221 HE1 MET 38 HE1 MET 38 -1.586 -15.622 4.710 222 HE2 MET 38 HE2 MET 38 -0.007 -15.669 3.923 223 HE3 MET 38 HE3 MET 38 -1.378 -14.912 3.109 224 H GLN 39 HN GLN 39 -0.622 -9.162 2.412 225 HA GLN 39 HA GLN 39 0.183 -6.525 3.197 226 HB2 GLN 39 HB2 GLN 39 2.326 -7.278 1.537 227 HB3 GLN 39 HB1 GLN 39 2.400 -6.834 3.235 228 HG2 GLN 39 HG2 GLN 39 2.167 -9.138 3.897 229 HG3 GLN 39 HG1 GLN 39 1.937 -9.628 2.219 230 HE21 GLN 39 HE21 GLN 39 3.680 -9.908 0.921 231 HE22 GLN 39 HE22 GLN 39 5.315 -9.770 1.460 232 H HIS 40 HN HIS 40 -1.711 -6.096 1.837 233 HA HIS 40 HA HIS 40 -0.936 -5.836 -0.942 234 HB2 HIS 40 HB2 HIS 40 -2.473 -8.102 -0.093 235 HB3 HIS 40 HB1 HIS 40 -3.445 -7.099 -1.167 236 HD1 HIS 40 HD1 HIS 40 -2.285 -6.564 -3.555 237 HD2 HIS 40 HD2 HIS 40 -0.667 -9.697 -1.356 238 HE1 HIS 40 HE1 HIS 40 -0.925 -7.902 -5.192 239 HE2 HIS 40 HE2 HIS 40 0.155 -9.709 -3.809 240 H CYS 41 HN CYS 41 -3.157 -5.333 -2.222 241 HA CYS 41 HA CYS 41 -4.818 -3.473 -0.726 242 HB2 CYS 41 HB2 CYS 41 -2.734 -2.265 -1.609 243 HB3 CYS 41 HB1 CYS 41 -3.414 -2.512 -3.213 244 H CYS 42 HN CYS 42 -6.757 -2.909 -1.810 245 HA CYS 42 HA CYS 42 -7.337 -4.498 -4.222 246 HB2 CYS 42 HB2 CYS 42 -8.734 -4.407 -1.617 247 HB3 CYS 42 HB1 CYS 42 -9.775 -4.337 -3.034 248 HA PRO 43 HA PRO 43 -8.439 -0.616 -6.057 249 HB2 PRO 43 HB2 PRO 43 -10.414 -2.262 -7.558 250 HB3 PRO 43 HB1 PRO 43 -9.188 -1.141 -8.163 251 HG2 PRO 43 HG2 PRO 43 -8.797 -3.750 -8.367 252 HG3 PRO 43 HG1 PRO 43 -7.464 -2.678 -7.889 253 HD2 PRO 43 HD2 PRO 43 -9.156 -4.465 -6.179 254 HD3 PRO 43 HD1 PRO 43 -7.404 -4.176 -6.117 255 H ALA 44 HN ALA 44 -9.761 0.930 -5.428 256 HA ALA 44 HA ALA 44 -11.689 0.797 -3.536 257 HB1 ALA 44 HB1 ALA 44 -11.962 2.733 -5.814 258 HB2 ALA 44 HB2 ALA 44 -10.665 2.861 -4.626 259 HB3 ALA 44 HB3 ALA 44 -12.349 2.974 -4.110 260 H GLY 45 HN GLY 45 -13.542 -0.236 -3.376 261 HA2 GLY 45 HA2 GLY 45 -15.849 -0.390 -4.150 262 HA3 GLY 45 HA1 GLY 45 -15.225 -0.478 -5.790 263 H TYR 46 HN TYR 46 -13.098 -2.325 -4.223 264 HA TYR 46 HA TYR 46 -14.741 -4.748 -4.555 265 HB2 TYR 46 HB2 TYR 46 -11.777 -4.360 -5.015 266 HB3 TYR 46 HB1 TYR 46 -12.593 -5.919 -5.059 267 HD1 TYR 46 HD1 TYR 46 -14.985 -5.507 -6.563 268 HD2 TYR 46 HD2 TYR 46 -11.157 -3.746 -7.147 269 HE1 TYR 46 HE1 TYR 46 -15.510 -5.169 -8.943 270 HE2 TYR 46 HE2 TYR 46 -11.671 -3.401 -9.527 271 HH TYR 46 HH TYR 46 -14.858 -4.157 -10.848 272 H LYS 47 HN LYS 47 -13.775 -6.661 -3.315 273 HA LYS 47 HA LYS 47 -12.998 -5.763 -0.619 274 HB2 LYS 47 HB2 LYS 47 -15.378 -6.859 -1.193 275 HB3 LYS 47 HB1 LYS 47 -14.452 -8.331 -0.937 276 HG2 LYS 47 HG2 LYS 47 -13.934 -6.419 1.153 277 HG3 LYS 47 HG1 LYS 47 -15.663 -6.741 0.997 278 HD2 LYS 47 HD2 LYS 47 -13.688 -8.993 1.038 279 HD3 LYS 47 HD1 LYS 47 -14.234 -8.250 2.543 280 HE2 LYS 47 HE2 LYS 47 -16.402 -8.985 2.276 281 HE3 LYS 47 HE1 LYS 47 -16.253 -9.112 0.524 282 HZ1 LYS 47 HZ1 LYS 47 -15.366 -11.172 0.657 283 HZ2 LYS 47 HZ2 LYS 47 -16.227 -11.216 2.112 284 HZ3 LYS 47 HZ3 LYS 47 -14.571 -10.879 2.121 285 H CYS 48 HN CYS 48 -11.703 -7.214 0.625 286 HA CYS 48 HA CYS 48 -9.772 -8.638 -0.998 287 HB2 CYS 48 HB2 CYS 48 -9.876 -7.558 1.746 288 HB3 CYS 48 HB1 CYS 48 -8.952 -9.045 1.568 289 H GLY 49 HN GLY 49 -9.178 -10.833 -0.693 290 HA2 GLY 49 HA2 GLY 49 -10.898 -12.508 0.952 291 HA3 GLY 49 HA1 GLY 49 -11.033 -12.747 -0.783 292 HA PRO 50 HA PRO 50 -7.547 -15.342 1.223 293 HB2 PRO 50 HB2 PRO 50 -9.169 -17.553 0.110 294 HB3 PRO 50 HB1 PRO 50 -8.382 -17.418 1.686 295 HG2 PRO 50 HG2 PRO 50 -11.037 -17.218 1.442 296 HG3 PRO 50 HG1 PRO 50 -10.140 -16.231 2.610 297 HD2 PRO 50 HD2 PRO 50 -11.262 -15.466 -0.055 298 HD3 PRO 50 HD1 PRO 50 -11.219 -14.539 1.459 299 H GLY 51 HN GLY 51 -5.845 -16.078 0.024 300 HA2 GLY 51 HA2 GLY 51 -4.789 -17.006 -1.869 301 HA3 GLY 51 HA1 GLY 51 -6.256 -16.730 -2.796 302 H GLY 52 HN GLY 52 -5.232 -14.082 -0.891 303 HA2 GLY 52 HA2 GLY 52 -4.475 -11.996 -1.468 304 HA3 GLY 52 HA1 GLY 52 -3.283 -12.861 -2.422 305 H THR 53 HN THR 53 -6.808 -12.594 -2.815 306 HA THR 53 HA THR 53 -6.348 -11.200 -5.363 307 HB THR 53 HB THR 53 -8.276 -12.549 -6.315 308 HG1 THR 53 HG1 THR 53 -9.188 -13.887 -4.960 309 HG21 THR 53 HG21 THR 53 -6.861 -14.345 -7.033 310 HG22 THR 53 HG22 THR 53 -5.822 -14.163 -5.621 311 HG23 THR 53 HG23 THR 53 -5.854 -12.907 -6.859 312 H CYS 54 HN CYS 54 -8.052 -9.878 -6.088 313 HA CYS 54 HA CYS 54 -9.792 -8.943 -3.932 314 HB2 CYS 54 HB2 CYS 54 -9.050 -7.730 -6.601 315 HB3 CYS 54 HB1 CYS 54 -10.217 -7.014 -5.495 316 H ILE 55 HN ILE 55 -11.894 -9.438 -3.878 317 HA ILE 55 HA ILE 55 -13.118 -10.543 -6.317 318 HB ILE 55 HB ILE 55 -14.780 -11.578 -4.707 319 HG12 ILE 55 HG12 ILE 55 -12.633 -11.104 -2.643 320 HG13 ILE 55 HG11 ILE 55 -14.018 -10.029 -2.809 321 HG21 ILE 55 HG21 ILE 55 -13.597 -13.482 -4.820 322 HG22 ILE 55 HG22 ILE 55 -12.208 -12.789 -3.984 323 HG23 ILE 55 HG23 ILE 55 -12.432 -12.501 -5.709 324 HD11 ILE 55 HD11 ILE 55 -15.160 -11.371 -1.481 325 HD12 ILE 55 HD12 ILE 55 -13.819 -12.515 -1.431 326 HD13 ILE 55 HD13 ILE 55 -15.041 -12.644 -2.696 327 H SER 56 HN SER 56 -15.274 -9.983 -6.828 328 HA SER 56 HA SER 56 -15.951 -7.272 -6.119 329 HB2 SER 56 HB2 SER 56 -17.431 -7.310 -7.922 330 HB3 SER 56 HB1 SER 56 -16.181 -8.441 -8.441 331 HG SER 56 HG SER 56 -18.358 -9.220 -8.713 Start of MODEL 5 1 H1 ASP 1 HT1 ASP 1 2.244 15.637 -4.211 2 H2 ASP 1 HT2 ASP 1 3.876 15.729 -3.776 3 H3 ASP 1 HT3 ASP 1 2.682 16.223 -2.685 4 HA ASP 1 HA ASP 1 2.839 13.454 -3.701 5 HB2 ASP 1 HB2 ASP 1 4.212 14.718 -1.323 6 HB3 ASP 1 HB1 ASP 1 3.975 12.979 -1.478 7 H VAL 2 HN VAL 2 2.297 12.219 -1.339 8 HA VAL 2 HA VAL 2 -0.166 13.442 -0.313 9 HB VAL 2 HB VAL 2 -0.047 10.531 -1.097 10 HG11 VAL 2 HG11 VAL 2 -1.731 11.835 0.616 11 HG12 VAL 2 HG12 VAL 2 -2.107 10.340 -0.241 12 HG13 VAL 2 HG13 VAL 2 -2.626 11.891 -0.902 13 HG21 VAL 2 HG21 VAL 2 -1.809 12.210 -2.686 14 HG22 VAL 2 HG22 VAL 2 -0.654 10.979 -3.197 15 HG23 VAL 2 HG23 VAL 2 -0.107 12.627 -2.887 16 H GLN 3 HN GLN 3 1.522 13.815 1.389 17 HA GLN 3 HA GLN 3 2.973 12.345 2.955 18 HB2 GLN 3 HB2 GLN 3 0.686 13.998 4.029 19 HB3 GLN 3 HB1 GLN 3 2.064 13.455 4.978 20 HG2 GLN 3 HG2 GLN 3 3.566 14.748 3.578 21 HG3 GLN 3 HG1 GLN 3 2.209 15.258 2.572 22 HE21 GLN 3 HE21 GLN 3 0.386 16.287 3.876 23 HE22 GLN 3 HE22 GLN 3 0.866 17.446 5.064 24 H CYS 4 HN CYS 4 2.848 10.215 3.272 25 HA CYS 4 HA CYS 4 0.477 8.742 3.638 26 HB2 CYS 4 HB2 CYS 4 3.347 8.079 4.320 27 HB3 CYS 4 HB1 CYS 4 2.025 6.921 4.399 28 H GLY 5 HN GLY 5 2.601 10.388 5.864 29 HA2 GLY 5 HA2 GLY 5 1.118 10.989 7.917 30 HA3 GLY 5 HA1 GLY 5 1.151 9.250 8.154 31 H GLY 6 HN GLY 6 3.481 11.876 7.496 32 HA2 GLY 6 HA2 GLY 6 5.491 12.380 8.489 33 HA3 GLY 6 HA1 GLY 6 4.884 11.553 9.917 34 H GLY 7 HN GLY 7 6.054 10.728 6.647 35 HA2 GLY 7 HA2 GLY 7 8.290 9.295 7.428 36 HA3 GLY 7 HA1 GLY 7 6.960 8.146 7.426 37 H PHE 8 HN PHE 8 5.761 7.866 5.407 38 HA PHE 8 HA PHE 8 7.582 8.082 3.120 39 HB2 PHE 8 HB2 PHE 8 5.454 6.208 3.944 40 HB3 PHE 8 HB1 PHE 8 5.548 6.543 2.220 41 HD1 PHE 8 HD1 PHE 8 7.629 5.504 5.118 42 HD2 PHE 8 HD2 PHE 8 7.076 5.394 0.899 43 HE1 PHE 8 HE1 PHE 8 9.476 3.890 4.922 44 HE2 PHE 8 HE2 PHE 8 8.922 3.779 0.696 45 HZ PHE 8 HZ PHE 8 10.124 3.025 2.709 46 H SER 9 HN SER 9 6.057 7.986 0.980 47 HA SER 9 HA SER 9 3.930 9.949 1.086 48 HB2 SER 9 HB2 SER 9 5.271 11.140 -0.906 49 HB3 SER 9 HB1 SER 9 5.455 11.631 0.778 50 HG SER 9 HG SER 9 7.114 9.754 -0.556 51 H CYS 10 HN CYS 10 2.715 10.077 -0.873 52 HA CYS 10 HA CYS 10 3.274 7.925 -2.799 53 HB2 CYS 10 HB2 CYS 10 0.844 8.450 -1.198 54 HB3 CYS 10 HB1 CYS 10 0.567 8.081 -2.895 55 H HIS 11 HN HIS 11 2.754 8.329 -4.932 56 HA HIS 11 HA HIS 11 2.634 11.132 -5.653 57 HB2 HIS 11 HB2 HIS 11 3.959 9.082 -6.764 58 HB3 HIS 11 HB1 HIS 11 2.500 9.026 -7.748 59 HD1 HIS 11 HD1 HIS 11 2.249 10.777 -9.548 60 HD2 HIS 11 HD2 HIS 11 5.442 11.531 -6.999 61 HE1 HIS 11 HE1 HIS 11 3.515 12.676 -10.602 62 HE2 HIS 11 HE2 HIS 11 5.372 13.192 -8.979 63 H ASP 12 HN ASP 12 1.203 11.610 -7.703 64 HA ASP 12 HA ASP 12 -1.458 11.593 -6.892 65 HB2 ASP 12 HB2 ASP 12 -0.007 12.283 -9.385 66 HB3 ASP 12 HB1 ASP 12 -1.738 11.997 -9.541 67 H GLY 13 HN GLY 13 -2.991 10.091 -6.926 68 HA2 GLY 13 HA2 GLY 13 -4.304 8.423 -7.992 69 HA3 GLY 13 HA1 GLY 13 -2.917 8.006 -8.989 70 H GLU 14 HN GLU 14 -1.292 8.140 -6.379 71 HA GLU 14 HA GLU 14 -1.754 5.347 -5.674 72 HB2 GLU 14 HB2 GLU 14 0.489 6.817 -4.428 73 HB3 GLU 14 HB1 GLU 14 0.448 5.205 -5.125 74 HG2 GLU 14 HG2 GLU 14 0.095 7.065 -7.230 75 HG3 GLU 14 HG1 GLU 14 1.453 7.607 -6.243 76 H THR 15 HN THR 15 -1.849 4.646 -3.497 77 HA THR 15 HA THR 15 -2.780 6.697 -1.601 78 HB THR 15 HB THR 15 -3.875 3.922 -2.081 79 HG1 THR 15 HG1 THR 15 -4.984 6.547 -2.152 80 HG21 THR 15 HG21 THR 15 -4.315 5.779 0.256 81 HG22 THR 15 HG22 THR 15 -3.769 4.102 0.291 82 HG23 THR 15 HG23 THR 15 -5.430 4.479 -0.167 83 H CYS 16 HN CYS 16 -2.180 6.465 0.545 84 HA CYS 16 HA CYS 16 0.155 4.784 0.977 85 HB2 CYS 16 HB2 CYS 16 -1.096 6.962 2.661 86 HB3 CYS 16 HB1 CYS 16 0.360 6.077 3.103 87 H CYS 17 HN CYS 17 -0.033 2.839 1.855 88 HA CYS 17 HA CYS 17 -2.253 2.343 3.720 89 HB2 CYS 17 HB2 CYS 17 -2.955 0.691 2.391 90 HB3 CYS 17 HB1 CYS 17 -1.650 1.025 1.262 91 HA PRO 18 HA PRO 18 1.173 1.238 6.361 92 HB2 PRO 18 HB2 PRO 18 -0.147 1.310 8.671 93 HB3 PRO 18 HB1 PRO 18 0.133 2.794 7.752 94 HG2 PRO 18 HG2 PRO 18 -2.351 1.160 8.000 95 HG3 PRO 18 HG1 PRO 18 -2.169 2.920 7.904 96 HD2 PRO 18 HD2 PRO 18 -2.825 1.206 5.778 97 HD3 PRO 18 HD1 PRO 18 -2.286 2.891 5.637 98 H THR 19 HN THR 19 1.267 -0.927 5.384 99 HA THR 19 HA THR 19 -0.371 -3.005 6.561 100 HB THR 19 HB THR 19 0.039 -3.407 4.290 101 HG1 THR 19 HG1 THR 19 1.044 -5.362 4.358 102 HG21 THR 19 HG21 THR 19 3.004 -3.040 4.701 103 HG22 THR 19 HG22 THR 19 1.934 -1.752 4.144 104 HG23 THR 19 HG23 THR 19 2.137 -3.212 3.175 105 H SER 20 HN SER 20 2.226 -1.347 7.628 106 HA SER 20 HA SER 20 2.955 -3.460 9.474 107 HB2 SER 20 HB2 SER 20 5.199 -2.057 8.044 108 HB3 SER 20 HB1 SER 20 5.256 -3.534 9.006 109 HG SER 20 HG SER 20 5.141 -4.447 7.109 110 H GLN 21 HN GLN 21 2.277 -0.310 8.790 111 HA GLN 21 HA GLN 21 2.108 1.540 10.100 112 HB2 GLN 21 HB2 GLN 21 2.989 -0.471 12.084 113 HB3 GLN 21 HB1 GLN 21 3.280 1.210 12.507 114 HG2 GLN 21 HG2 GLN 21 0.966 1.735 12.349 115 HG3 GLN 21 HG1 GLN 21 0.598 0.160 11.646 116 HE21 GLN 21 HE21 GLN 21 2.107 -1.461 13.317 117 HE22 GLN 21 HE22 GLN 21 1.425 -1.422 14.903 118 H THR 22 HN THR 22 5.199 -0.126 10.001 119 HA THR 22 HA THR 22 6.618 2.422 10.253 120 HB THR 22 HB THR 22 8.675 1.027 10.335 121 HG1 THR 22 HG1 THR 22 7.389 -0.789 9.209 122 HG21 THR 22 HG21 THR 22 8.463 0.624 12.570 123 HG22 THR 22 HG22 THR 22 6.905 -0.182 12.389 124 HG23 THR 22 HG23 THR 22 6.998 1.578 12.336 125 H THR 23 HN THR 23 5.714 0.000 7.960 126 HA THR 23 HA THR 23 7.334 1.346 5.896 127 HB THR 23 HB THR 23 6.519 -1.072 4.792 128 HG1 THR 23 HG1 THR 23 6.267 -1.427 7.323 129 HG21 THR 23 HG21 THR 23 8.656 -0.846 4.199 130 HG22 THR 23 HG22 THR 23 9.109 -1.467 5.786 131 HG23 THR 23 HG23 THR 23 8.956 0.271 5.531 132 H TRP 24 HN TRP 24 6.054 2.729 4.864 133 HA TRP 24 HA TRP 24 3.228 2.175 4.496 134 HB2 TRP 24 HB2 TRP 24 5.012 4.545 4.064 135 HB3 TRP 24 HB1 TRP 24 3.433 4.491 3.288 136 HD1 TRP 24 HD1 TRP 24 5.087 5.017 6.658 137 HE1 TRP 24 HE1 TRP 24 3.297 5.724 8.370 138 HE3 TRP 24 HE3 TRP 24 0.918 4.167 3.849 139 HZ2 TRP 24 HZ2 TRP 24 0.478 5.893 8.503 140 HZ3 TRP 24 HZ3 TRP 24 -1.289 4.621 4.835 141 HH2 TRP 24 HH2 TRP 24 -1.502 5.465 7.110 142 H GLY 25 HN GLY 25 2.222 1.720 2.581 143 HA2 GLY 25 HA2 GLY 25 4.006 1.311 0.255 144 HA3 GLY 25 HA1 GLY 25 2.616 0.298 0.611 145 H CYS 26 HN CYS 26 3.306 1.852 -1.808 146 HA CYS 26 HA CYS 26 1.127 3.817 -1.881 147 HB2 CYS 26 HB2 CYS 26 3.629 3.418 -3.436 148 HB3 CYS 26 HB1 CYS 26 2.251 4.083 -4.304 149 H CYS 27 HN CYS 27 -0.732 3.396 -2.923 150 HA CYS 27 HA CYS 27 -0.802 1.089 -4.750 151 HB2 CYS 27 HB2 CYS 27 -2.465 1.690 -2.365 152 HB3 CYS 27 HB1 CYS 27 -3.276 0.969 -3.751 153 HA PRO 28 HA PRO 28 -2.464 4.274 -7.458 154 HB2 PRO 28 HB2 PRO 28 -2.856 2.612 -9.592 155 HB3 PRO 28 HB1 PRO 28 -1.294 3.327 -9.181 156 HG2 PRO 28 HG2 PRO 28 -2.344 0.590 -8.577 157 HG3 PRO 28 HG1 PRO 28 -0.731 1.072 -9.139 158 HD2 PRO 28 HD2 PRO 28 -1.218 0.479 -6.560 159 HD3 PRO 28 HD1 PRO 28 -0.057 1.739 -7.028 160 H SER 29 HN SER 29 -4.367 4.320 -6.022 161 HA SER 29 HA SER 29 -6.755 3.905 -7.411 162 HB2 SER 29 HB2 SER 29 -5.884 1.650 -5.723 163 HB3 SER 29 HB1 SER 29 -7.533 2.197 -5.422 164 HG SER 29 HG SER 29 -6.869 0.583 -7.268 165 HA PRO 30 HA PRO 30 -7.678 7.237 -4.604 166 HB2 PRO 30 HB2 PRO 30 -10.448 6.200 -5.080 167 HB3 PRO 30 HB1 PRO 30 -9.851 7.864 -5.108 168 HG2 PRO 30 HG2 PRO 30 -10.285 6.566 -7.381 169 HG3 PRO 30 HG1 PRO 30 -8.867 7.617 -7.200 170 HD2 PRO 30 HD2 PRO 30 -9.033 4.644 -7.217 171 HD3 PRO 30 HD1 PRO 30 -7.729 5.708 -7.781 172 H LYS 31 HN LYS 31 -10.543 5.492 -3.786 173 HA LYS 31 HA LYS 31 -9.626 5.258 -1.047 174 HB2 LYS 31 HB2 LYS 31 -12.309 4.445 -2.167 175 HB3 LYS 31 HB1 LYS 31 -11.908 4.775 -0.487 176 HG2 LYS 31 HG2 LYS 31 -11.800 7.072 -0.835 177 HG3 LYS 31 HG1 LYS 31 -11.631 6.895 -2.582 178 HD2 LYS 31 HD2 LYS 31 -13.870 6.578 -2.905 179 HD3 LYS 31 HD1 LYS 31 -14.104 5.845 -1.317 180 HE2 LYS 31 HE2 LYS 31 -13.721 8.771 -1.931 181 HE3 LYS 31 HE1 LYS 31 -15.194 7.989 -1.358 182 HZ1 LYS 31 HZ1 LYS 31 -14.339 8.842 0.572 183 HZ2 LYS 31 HZ2 LYS 31 -12.729 8.606 0.115 184 HZ3 LYS 31 HZ3 LYS 31 -13.670 7.289 0.606 185 H ALA 32 HN ALA 32 -8.118 3.601 -2.529 186 HA ALA 32 HA ALA 32 -9.011 1.005 -2.976 187 HB1 ALA 32 HB1 ALA 32 -6.737 0.368 -3.092 188 HB2 ALA 32 HB2 ALA 32 -6.236 1.699 -2.048 189 HB3 ALA 32 HB3 ALA 32 -6.817 2.030 -3.680 190 H VAL 33 HN VAL 33 -8.400 -0.953 -1.777 191 HA VAL 33 HA VAL 33 -8.649 -0.584 1.134 192 HB VAL 33 HB VAL 33 -9.370 -3.240 0.216 193 HG11 VAL 33 HG11 VAL 33 -10.870 -1.103 1.725 194 HG12 VAL 33 HG12 VAL 33 -9.886 -2.390 2.423 195 HG13 VAL 33 HG13 VAL 33 -11.376 -2.785 1.566 196 HG21 VAL 33 HG21 VAL 33 -11.420 -1.259 -0.621 197 HG22 VAL 33 HG22 VAL 33 -11.108 -2.888 -1.219 198 HG23 VAL 33 HG23 VAL 33 -10.065 -1.554 -1.710 199 H CYS 34 HN CYS 34 -6.600 -0.763 1.833 200 HA CYS 34 HA CYS 34 -4.686 -2.506 0.643 201 HB2 CYS 34 HB2 CYS 34 -3.766 -0.570 1.563 202 HB3 CYS 34 HB1 CYS 34 -4.700 -0.712 3.048 203 H CYS 35 HN CYS 35 -4.809 -4.647 0.840 204 HA CYS 35 HA CYS 35 -6.101 -6.015 2.943 205 HB2 CYS 35 HB2 CYS 35 -5.011 -6.733 0.497 206 HB3 CYS 35 HB1 CYS 35 -3.960 -7.539 1.657 207 H ASP 36 HN ASP 36 -5.472 -6.338 4.945 208 HA ASP 36 HA ASP 36 -2.732 -5.684 5.699 209 HB2 ASP 36 HB2 ASP 36 -5.234 -6.033 7.347 210 HB3 ASP 36 HB1 ASP 36 -3.649 -5.671 8.023 211 H ASP 37 HN ASP 37 -4.559 -8.538 5.157 212 HA ASP 37 HA ASP 37 -3.737 -10.237 7.166 213 HB2 ASP 37 HB2 ASP 37 -4.217 -10.691 4.226 214 HB3 ASP 37 HB1 ASP 37 -3.759 -12.013 5.296 215 H MET 38 HN MET 38 -2.026 -9.242 4.255 216 HA MET 38 HA MET 38 0.489 -10.100 5.490 217 HB2 MET 38 HB2 MET 38 -0.654 -11.005 2.912 218 HB3 MET 38 HB1 MET 38 1.045 -10.554 2.876 219 HG2 MET 38 HG2 MET 38 -0.203 -12.596 4.698 220 HG3 MET 38 HG1 MET 38 0.767 -12.934 3.266 221 HE1 MET 38 HE1 MET 38 3.203 -11.889 2.993 222 HE2 MET 38 HE2 MET 38 3.284 -13.564 3.539 223 HE3 MET 38 HE3 MET 38 4.336 -12.347 4.263 224 H GLN 39 HN GLN 39 0.080 -8.912 2.209 225 HA GLN 39 HA GLN 39 0.570 -6.177 2.915 226 HB2 GLN 39 HB2 GLN 39 2.630 -6.296 1.216 227 HB3 GLN 39 HB1 GLN 39 2.834 -6.488 2.951 228 HG2 GLN 39 HG2 GLN 39 3.525 -8.592 2.743 229 HG3 GLN 39 HG1 GLN 39 2.238 -8.995 1.608 230 HE21 GLN 39 HE21 GLN 39 2.554 -8.439 -0.626 231 HE22 GLN 39 HE22 GLN 39 4.153 -8.380 -1.279 232 H HIS 40 HN HIS 40 -1.497 -6.060 1.764 233 HA HIS 40 HA HIS 40 -1.032 -5.871 -1.118 234 HB2 HIS 40 HB2 HIS 40 -2.572 -8.002 0.126 235 HB3 HIS 40 HB1 HIS 40 -3.499 -7.116 -1.080 236 HD1 HIS 40 HD1 HIS 40 -2.133 -6.861 -3.479 237 HD2 HIS 40 HD2 HIS 40 -1.046 -9.962 -0.937 238 HE1 HIS 40 HE1 HIS 40 -0.894 -8.508 -4.919 239 HE2 HIS 40 HE2 HIS 40 -0.190 -10.346 -3.346 240 H CYS 41 HN CYS 41 -3.386 -5.431 -2.148 241 HA CYS 41 HA CYS 41 -5.203 -3.810 -0.752 242 HB2 CYS 41 HB2 CYS 41 -4.536 -1.637 -1.152 243 HB3 CYS 41 HB1 CYS 41 -2.971 -2.404 -0.900 244 H CYS 42 HN CYS 42 -6.794 -2.808 -2.207 245 HA CYS 42 HA CYS 42 -6.590 -3.608 -5.010 246 HB2 CYS 42 HB2 CYS 42 -8.527 -4.723 -3.043 247 HB3 CYS 42 HB1 CYS 42 -9.110 -4.390 -4.670 248 HA PRO 43 HA PRO 43 -8.547 0.178 -6.045 249 HB2 PRO 43 HB2 PRO 43 -10.519 -1.377 -7.648 250 HB3 PRO 43 HB1 PRO 43 -9.481 -0.031 -8.135 251 HG2 PRO 43 HG2 PRO 43 -8.875 -2.502 -8.875 252 HG3 PRO 43 HG1 PRO 43 -7.600 -1.388 -8.340 253 HD2 PRO 43 HD2 PRO 43 -8.892 -3.641 -6.852 254 HD3 PRO 43 HD1 PRO 43 -7.185 -3.151 -6.893 255 H ALA 44 HN ALA 44 -10.008 1.468 -5.174 256 HA ALA 44 HA ALA 44 -11.640 0.897 -3.102 257 HB1 ALA 44 HB1 ALA 44 -12.407 3.028 -3.245 258 HB2 ALA 44 HB2 ALA 44 -12.733 2.915 -4.975 259 HB3 ALA 44 HB3 ALA 44 -11.082 3.157 -4.401 260 H GLY 45 HN GLY 45 -13.350 -0.345 -2.802 261 HA2 GLY 45 HA2 GLY 45 -15.699 -0.730 -3.379 262 HA3 GLY 45 HA1 GLY 45 -15.206 -0.736 -5.065 263 H TYR 46 HN TYR 46 -12.731 -2.347 -3.894 264 HA TYR 46 HA TYR 46 -14.076 -4.932 -4.238 265 HB2 TYR 46 HB2 TYR 46 -11.199 -4.066 -4.492 266 HB3 TYR 46 HB1 TYR 46 -11.659 -5.762 -4.434 267 HD1 TYR 46 HD1 TYR 46 -11.716 -6.794 -6.480 268 HD2 TYR 46 HD2 TYR 46 -12.842 -2.699 -6.245 269 HE1 TYR 46 HE1 TYR 46 -12.126 -6.774 -8.904 270 HE2 TYR 46 HE2 TYR 46 -13.256 -2.668 -8.670 271 HH TYR 46 HH TYR 46 -13.643 -4.080 -10.491 272 H LYS 47 HN LYS 47 -13.115 -6.770 -2.937 273 HA LYS 47 HA LYS 47 -12.425 -5.898 -0.212 274 HB2 LYS 47 HB2 LYS 47 -14.895 -6.820 -0.820 275 HB3 LYS 47 HB1 LYS 47 -14.084 -8.334 -0.448 276 HG2 LYS 47 HG2 LYS 47 -13.463 -6.360 1.542 277 HG3 LYS 47 HG1 LYS 47 -15.210 -6.517 1.346 278 HD2 LYS 47 HD2 LYS 47 -13.525 -8.974 1.546 279 HD3 LYS 47 HD1 LYS 47 -13.920 -8.071 3.010 280 HE2 LYS 47 HE2 LYS 47 -16.108 -8.751 1.107 281 HE3 LYS 47 HE1 LYS 47 -15.466 -10.022 2.147 282 HZ1 LYS 47 HZ1 LYS 47 -16.377 -7.413 3.210 283 HZ2 LYS 47 HZ2 LYS 47 -16.085 -8.842 4.064 284 HZ3 LYS 47 HZ3 LYS 47 -17.420 -8.733 3.033 285 H CYS 48 HN CYS 48 -11.420 -7.610 1.107 286 HA CYS 48 HA CYS 48 -9.506 -9.088 -0.487 287 HB2 CYS 48 HB2 CYS 48 -9.788 -8.485 2.444 288 HB3 CYS 48 HB1 CYS 48 -8.659 -9.716 1.888 289 H GLY 49 HN GLY 49 -9.458 -11.247 -0.800 290 HA2 GLY 49 HA2 GLY 49 -11.615 -12.814 0.471 291 HA3 GLY 49 HA1 GLY 49 -10.990 -13.121 -1.141 292 HA PRO 50 HA PRO 50 -8.746 -15.688 2.172 293 HB2 PRO 50 HB2 PRO 50 -9.901 -18.097 1.750 294 HB3 PRO 50 HB1 PRO 50 -10.550 -16.920 2.896 295 HG2 PRO 50 HG2 PRO 50 -11.434 -17.536 0.105 296 HG3 PRO 50 HG1 PRO 50 -12.415 -17.228 1.550 297 HD2 PRO 50 HD2 PRO 50 -11.944 -15.348 -0.367 298 HD3 PRO 50 HD1 PRO 50 -12.234 -14.949 1.338 299 H GLY 51 HN GLY 51 -9.659 -16.195 -1.169 300 HA2 GLY 51 HA2 GLY 51 -7.509 -18.076 -1.659 301 HA3 GLY 51 HA1 GLY 51 -8.638 -17.449 -2.848 302 H GLY 52 HN GLY 52 -6.966 -15.217 -0.792 303 HA2 GLY 52 HA2 GLY 52 -5.301 -13.688 -1.202 304 HA3 GLY 52 HA1 GLY 52 -4.657 -14.823 -2.378 305 H THR 53 HN THR 53 -7.874 -14.069 -3.027 306 HA THR 53 HA THR 53 -7.048 -12.061 -5.022 307 HB THR 53 HB THR 53 -9.050 -12.846 -6.344 308 HG1 THR 53 HG1 THR 53 -9.803 -14.053 -4.299 309 HG21 THR 53 HG21 THR 53 -7.630 -14.101 -7.530 310 HG22 THR 53 HG22 THR 53 -7.483 -15.288 -6.235 311 HG23 THR 53 HG23 THR 53 -6.466 -13.847 -6.229 312 H CYS 54 HN CYS 54 -8.820 -10.559 -5.683 313 HA CYS 54 HA CYS 54 -10.302 -9.735 -3.294 314 HB2 CYS 54 HB2 CYS 54 -9.283 -8.269 -5.701 315 HB3 CYS 54 HB1 CYS 54 -10.592 -7.587 -4.740 316 H ILE 55 HN ILE 55 -12.462 -9.035 -3.429 317 HA ILE 55 HA ILE 55 -13.962 -10.272 -5.644 318 HB ILE 55 HB ILE 55 -15.865 -10.067 -3.784 319 HG12 ILE 55 HG12 ILE 55 -13.350 -10.559 -2.174 320 HG13 ILE 55 HG11 ILE 55 -14.273 -9.062 -2.142 321 HG21 ILE 55 HG21 ILE 55 -15.667 -12.381 -3.466 322 HG22 ILE 55 HG22 ILE 55 -13.911 -12.340 -3.631 323 HG23 ILE 55 HG23 ILE 55 -14.936 -12.082 -5.043 324 HD11 ILE 55 HD11 ILE 55 -15.014 -10.178 -0.264 325 HD12 ILE 55 HD12 ILE 55 -14.997 -11.749 -1.064 326 HD13 ILE 55 HD13 ILE 55 -16.251 -10.573 -1.459 327 H SER 56 HN SER 56 -15.717 -9.203 -6.518 328 HA SER 56 HA SER 56 -15.580 -6.315 -6.361 329 HB2 SER 56 HB2 SER 56 -17.708 -6.987 -8.043 330 HB3 SER 56 HB1 SER 56 -16.064 -6.585 -8.536 331 HG SER 56 HG SER 56 -17.005 -9.187 -7.896 Start of MODEL 6 1 H1 ASP 1 HT1 ASP 1 3.248 16.383 -3.965 2 H2 ASP 1 HT2 ASP 1 4.923 16.167 -4.055 3 H3 ASP 1 HT3 ASP 1 4.198 16.550 -2.574 4 HA ASP 1 HA ASP 1 3.934 14.028 -4.104 5 HB2 ASP 1 HB2 ASP 1 4.891 13.099 -1.961 6 HB3 ASP 1 HB1 ASP 1 5.986 14.135 -2.870 7 H VAL 2 HN VAL 2 3.032 12.363 -2.282 8 HA VAL 2 HA VAL 2 0.524 13.552 -1.287 9 HB VAL 2 HB VAL 2 0.716 10.668 -2.095 10 HG11 VAL 2 HG11 VAL 2 -1.200 11.750 -0.743 11 HG12 VAL 2 HG12 VAL 2 -1.607 10.710 -2.108 12 HG13 VAL 2 HG13 VAL 2 -1.673 12.464 -2.284 13 HG21 VAL 2 HG21 VAL 2 -0.537 12.333 -4.103 14 HG22 VAL 2 HG22 VAL 2 0.698 11.087 -4.283 15 HG23 VAL 2 HG23 VAL 2 1.165 12.740 -3.889 16 H GLN 3 HN GLN 3 2.205 13.782 0.561 17 HA GLN 3 HA GLN 3 3.344 12.017 2.148 18 HB2 GLN 3 HB2 GLN 3 1.885 13.342 4.071 19 HB3 GLN 3 HB1 GLN 3 3.384 13.906 3.350 20 HG2 GLN 3 HG2 GLN 3 2.353 15.660 2.497 21 HG3 GLN 3 HG1 GLN 3 1.217 14.619 1.642 22 HE21 GLN 3 HE21 GLN 3 0.937 17.226 3.086 23 HE22 GLN 3 HE22 GLN 3 -0.368 16.976 4.192 24 H CYS 4 HN CYS 4 2.873 10.020 2.700 25 HA CYS 4 HA CYS 4 0.289 8.910 2.738 26 HB2 CYS 4 HB2 CYS 4 2.809 7.870 4.052 27 HB3 CYS 4 HB1 CYS 4 1.365 6.927 3.697 28 H GLY 5 HN GLY 5 2.442 8.923 5.554 29 HA2 GLY 5 HA2 GLY 5 0.498 10.233 7.229 30 HA3 GLY 5 HA1 GLY 5 0.651 8.509 7.541 31 H GLY 6 HN GLY 6 2.975 7.739 7.834 32 HA2 GLY 6 HA2 GLY 6 4.135 9.223 9.964 33 HA3 GLY 6 HA1 GLY 6 4.807 7.780 9.215 34 H GLY 7 HN GLY 7 5.635 8.241 6.864 35 HA2 GLY 7 HA2 GLY 7 6.648 10.891 6.413 36 HA3 GLY 7 HA1 GLY 7 7.885 9.787 6.988 37 H PHE 8 HN PHE 8 5.410 8.354 5.040 38 HA PHE 8 HA PHE 8 7.385 8.000 2.919 39 HB2 PHE 8 HB2 PHE 8 4.871 6.598 3.701 40 HB3 PHE 8 HB1 PHE 8 5.413 6.485 2.031 41 HD1 PHE 8 HD1 PHE 8 6.745 4.712 1.477 42 HD2 PHE 8 HD2 PHE 8 6.831 6.175 5.473 43 HE1 PHE 8 HE1 PHE 8 8.305 2.914 2.099 44 HE2 PHE 8 HE2 PHE 8 8.393 4.381 6.101 45 HZ PHE 8 HZ PHE 8 9.132 2.747 4.413 46 H SER 9 HN SER 9 6.192 7.791 0.638 47 HA SER 9 HA SER 9 4.111 9.631 0.076 48 HB2 SER 9 HB2 SER 9 6.013 10.986 -1.383 49 HB3 SER 9 HB1 SER 9 5.307 11.543 0.133 50 HG SER 9 HG SER 9 7.797 11.167 -0.262 51 H CYS 10 HN CYS 10 3.686 9.840 -2.236 52 HA CYS 10 HA CYS 10 5.198 8.140 -4.022 53 HB2 CYS 10 HB2 CYS 10 2.844 7.162 -2.734 54 HB3 CYS 10 HB1 CYS 10 2.517 7.344 -4.455 55 H HIS 11 HN HIS 11 3.553 7.977 -6.161 56 HA HIS 11 HA HIS 11 3.579 10.707 -7.079 57 HB2 HIS 11 HB2 HIS 11 3.622 8.064 -8.276 58 HB3 HIS 11 HB1 HIS 11 2.554 9.164 -9.142 59 HD1 HIS 11 HD1 HIS 11 4.116 11.765 -8.985 60 HD2 HIS 11 HD2 HIS 11 5.874 8.085 -9.782 61 HE1 HIS 11 HE1 HIS 11 6.259 12.291 -10.192 62 HE2 HIS 11 HE2 HIS 11 7.279 10.047 -10.715 63 H ASP 12 HN ASP 12 1.951 11.789 -8.138 64 HA ASP 12 HA ASP 12 -0.481 12.044 -6.877 65 HB2 ASP 12 HB2 ASP 12 0.039 12.650 -9.795 66 HB3 ASP 12 HB1 ASP 12 -1.223 13.355 -8.791 67 H GLY 13 HN GLY 13 -2.509 11.204 -7.096 68 HA2 GLY 13 HA2 GLY 13 -4.225 9.942 -8.094 69 HA3 GLY 13 HA1 GLY 13 -3.059 9.317 -9.253 70 H GLU 14 HN GLU 14 -1.503 9.054 -6.445 71 HA GLU 14 HA GLU 14 -2.266 6.236 -6.158 72 HB2 GLU 14 HB2 GLU 14 -0.180 5.858 -5.205 73 HB3 GLU 14 HB1 GLU 14 0.159 7.126 -6.377 74 HG2 GLU 14 HG2 GLU 14 1.240 8.003 -4.593 75 HG3 GLU 14 HG1 GLU 14 -0.360 8.675 -4.294 76 H THR 15 HN THR 15 -2.068 5.364 -3.872 77 HA THR 15 HA THR 15 -3.081 7.184 -1.823 78 HB THR 15 HB THR 15 -4.485 4.659 -2.711 79 HG1 THR 15 HG1 THR 15 -5.123 6.668 -3.669 80 HG21 THR 15 HG21 THR 15 -4.685 4.275 -0.472 81 HG22 THR 15 HG22 THR 15 -5.987 5.453 -0.642 82 HG23 THR 15 HG23 THR 15 -4.407 5.963 -0.047 83 H CYS 16 HN CYS 16 -2.212 6.726 0.169 84 HA CYS 16 HA CYS 16 -0.306 4.527 0.251 85 HB2 CYS 16 HB2 CYS 16 -0.773 6.827 2.154 86 HB3 CYS 16 HB1 CYS 16 0.489 5.610 2.341 87 H CYS 17 HN CYS 17 -0.400 2.819 1.616 88 HA CYS 17 HA CYS 17 -2.632 2.671 3.507 89 HB2 CYS 17 HB2 CYS 17 -2.194 0.993 1.119 90 HB3 CYS 17 HB1 CYS 17 -2.563 0.110 2.597 91 HA PRO 18 HA PRO 18 0.757 1.042 5.916 92 HB2 PRO 18 HB2 PRO 18 -0.457 1.014 8.294 93 HB3 PRO 18 HB1 PRO 18 -0.073 2.545 7.492 94 HG2 PRO 18 HG2 PRO 18 -2.687 1.103 7.673 95 HG3 PRO 18 HG1 PRO 18 -2.352 2.838 7.801 96 HD2 PRO 18 HD2 PRO 18 -3.259 1.552 5.514 97 HD3 PRO 18 HD1 PRO 18 -2.445 3.127 5.540 98 H THR 19 HN THR 19 0.932 -1.047 5.035 99 HA THR 19 HA THR 19 -0.962 -3.104 5.780 100 HB THR 19 HB THR 19 0.267 -4.578 4.366 101 HG1 THR 19 HG1 THR 19 2.354 -3.054 5.094 102 HG21 THR 19 HG21 THR 19 0.629 -3.041 2.292 103 HG22 THR 19 HG22 THR 19 -0.053 -1.789 3.329 104 HG23 THR 19 HG23 THR 19 -0.992 -3.235 2.959 105 H SER 20 HN SER 20 1.434 -1.660 7.441 106 HA SER 20 HA SER 20 1.765 -3.962 9.178 107 HB2 SER 20 HB2 SER 20 3.868 -3.025 7.403 108 HB3 SER 20 HB1 SER 20 4.363 -2.958 9.094 109 HG SER 20 HG SER 20 3.373 -5.209 7.679 110 H GLN 21 HN GLN 21 4.035 -1.345 9.330 111 HA GLN 21 HA GLN 21 2.502 0.395 10.973 112 HB2 GLN 21 HB2 GLN 21 3.455 -1.857 12.299 113 HB3 GLN 21 HB1 GLN 21 4.623 -0.605 12.696 114 HG2 GLN 21 HG2 GLN 21 3.148 -0.269 14.379 115 HG3 GLN 21 HG1 GLN 21 2.424 0.785 13.166 116 HE21 GLN 21 HE21 GLN 21 2.385 -2.721 13.709 117 HE22 GLN 21 HE22 GLN 21 0.665 -2.874 13.721 118 H THR 22 HN THR 22 5.547 -0.713 9.718 119 HA THR 22 HA THR 22 6.637 2.011 10.010 120 HB THR 22 HB THR 22 7.978 0.427 11.276 121 HG1 THR 22 HG1 THR 22 9.855 0.628 9.421 122 HG21 THR 22 HG21 THR 22 9.017 -1.491 10.330 123 HG22 THR 22 HG22 THR 22 8.531 -1.032 8.697 124 HG23 THR 22 HG23 THR 22 7.318 -1.564 9.862 125 H THR 23 HN THR 23 5.326 -0.094 7.843 126 HA THR 23 HA THR 23 6.901 0.999 5.603 127 HB THR 23 HB THR 23 5.485 -1.088 4.512 128 HG1 THR 23 HG1 THR 23 5.001 -1.655 6.808 129 HG21 THR 23 HG21 THR 23 7.726 -2.333 4.788 130 HG22 THR 23 HG22 THR 23 8.280 -0.859 5.582 131 HG23 THR 23 HG23 THR 23 7.725 -0.804 3.910 132 H TRP 24 HN TRP 24 5.649 1.287 3.566 133 HA TRP 24 HA TRP 24 2.798 1.780 3.940 134 HB2 TRP 24 HB2 TRP 24 4.858 3.892 3.411 135 HB3 TRP 24 HB1 TRP 24 3.242 4.070 2.734 136 HD1 TRP 24 HD1 TRP 24 5.150 4.286 5.996 137 HE1 TRP 24 HE1 TRP 24 3.586 5.170 7.840 138 HE3 TRP 24 HE3 TRP 24 0.744 4.097 3.452 139 HZ2 TRP 24 HZ2 TRP 24 0.831 5.715 8.163 140 HZ3 TRP 24 HZ3 TRP 24 -1.318 4.810 4.590 141 HH2 TRP 24 HH2 TRP 24 -1.269 5.602 6.895 142 H GLY 25 HN GLY 25 1.753 0.950 2.265 143 HA2 GLY 25 HA2 GLY 25 3.219 0.486 -0.232 144 HA3 GLY 25 HA1 GLY 25 1.727 -0.306 0.249 145 H CYS 26 HN CYS 26 2.554 1.209 -2.210 146 HA CYS 26 HA CYS 26 0.601 3.394 -2.159 147 HB2 CYS 26 HB2 CYS 26 2.695 2.700 -4.230 148 HB3 CYS 26 HB1 CYS 26 1.631 4.101 -4.284 149 H CYS 27 HN CYS 27 -1.274 3.298 -3.222 150 HA CYS 27 HA CYS 27 -1.723 1.041 -5.060 151 HB2 CYS 27 HB2 CYS 27 -3.052 1.632 -2.612 152 HB3 CYS 27 HB1 CYS 27 -4.195 1.915 -3.921 153 HA PRO 28 HA PRO 28 -2.990 4.263 -7.846 154 HB2 PRO 28 HB2 PRO 28 -3.719 2.762 -9.922 155 HB3 PRO 28 HB1 PRO 28 -2.034 2.813 -9.388 156 HG2 PRO 28 HG2 PRO 28 -4.110 0.717 -8.916 157 HG3 PRO 28 HG1 PRO 28 -2.386 0.526 -9.276 158 HD2 PRO 28 HD2 PRO 28 -3.526 0.392 -6.740 159 HD3 PRO 28 HD1 PRO 28 -1.808 0.679 -7.079 160 H SER 29 HN SER 29 -4.943 3.713 -5.842 161 HA SER 29 HA SER 29 -7.346 4.298 -7.371 162 HB2 SER 29 HB2 SER 29 -7.347 2.098 -5.292 163 HB3 SER 29 HB1 SER 29 -8.714 2.633 -6.271 164 HG SER 29 HG SER 29 -6.428 1.186 -7.047 165 HA PRO 30 HA PRO 30 -8.125 7.252 -4.204 166 HB2 PRO 30 HB2 PRO 30 -10.852 6.936 -3.837 167 HB3 PRO 30 HB1 PRO 30 -10.104 7.903 -5.112 168 HG2 PRO 30 HG2 PRO 30 -11.179 5.116 -5.229 169 HG3 PRO 30 HG1 PRO 30 -11.307 6.421 -6.425 170 HD2 PRO 30 HD2 PRO 30 -9.565 4.415 -6.741 171 HD3 PRO 30 HD1 PRO 30 -9.149 6.076 -7.214 172 H LYS 31 HN LYS 31 -10.872 5.617 -2.978 173 HA LYS 31 HA LYS 31 -10.033 5.506 -0.365 174 HB2 LYS 31 HB2 LYS 31 -12.073 3.907 -1.882 175 HB3 LYS 31 HB1 LYS 31 -11.774 3.588 -0.179 176 HG2 LYS 31 HG2 LYS 31 -12.478 5.759 0.447 177 HG3 LYS 31 HG1 LYS 31 -12.483 6.312 -1.229 178 HD2 LYS 31 HD2 LYS 31 -14.719 5.923 -0.944 179 HD3 LYS 31 HD1 LYS 31 -14.208 4.329 -1.507 180 HE2 LYS 31 HE2 LYS 31 -15.207 3.545 0.333 181 HE3 LYS 31 HE1 LYS 31 -13.801 4.162 1.199 182 HZ1 LYS 31 HZ1 LYS 31 -15.205 6.351 1.185 183 HZ2 LYS 31 HZ2 LYS 31 -15.484 5.156 2.348 184 HZ3 LYS 31 HZ3 LYS 31 -16.504 5.281 1.005 185 H ALA 32 HN ALA 32 -10.549 2.475 -2.118 186 HA ALA 32 HA ALA 32 -9.393 0.524 -2.213 187 HB1 ALA 32 HB1 ALA 32 -7.294 0.814 -2.862 188 HB2 ALA 32 HB2 ALA 32 -6.813 1.339 -1.249 189 HB3 ALA 32 HB3 ALA 32 -7.437 2.512 -2.408 190 H VAL 33 HN VAL 33 -9.041 -1.196 -0.888 191 HA VAL 33 HA VAL 33 -9.083 -0.648 1.999 192 HB VAL 33 HB VAL 33 -9.708 -3.324 0.784 193 HG11 VAL 33 HG11 VAL 33 -11.067 -3.575 2.799 194 HG12 VAL 33 HG12 VAL 33 -10.638 -1.939 3.298 195 HG13 VAL 33 HG13 VAL 33 -9.394 -3.186 3.202 196 HG21 VAL 33 HG21 VAL 33 -12.064 -1.745 1.388 197 HG22 VAL 33 HG22 VAL 33 -11.678 -2.693 -0.048 198 HG23 VAL 33 HG23 VAL 33 -11.104 -1.032 0.089 199 H CYS 34 HN CYS 34 -7.100 -0.742 2.846 200 HA CYS 34 HA CYS 34 -4.935 -2.122 1.659 201 HB2 CYS 34 HB2 CYS 34 -4.749 -1.467 4.539 202 HB3 CYS 34 HB1 CYS 34 -3.646 -1.093 3.221 203 H CYS 35 HN CYS 35 -5.198 -4.302 1.440 204 HA CYS 35 HA CYS 35 -6.401 -6.074 3.182 205 HB2 CYS 35 HB2 CYS 35 -3.927 -6.749 1.590 206 HB3 CYS 35 HB1 CYS 35 -5.240 -7.827 2.049 207 H ASP 36 HN ASP 36 -6.040 -6.147 5.275 208 HA ASP 36 HA ASP 36 -3.383 -5.749 6.367 209 HB2 ASP 36 HB2 ASP 36 -5.601 -4.756 7.267 210 HB3 ASP 36 HB1 ASP 36 -5.832 -6.342 7.998 211 H ASP 37 HN ASP 37 -5.385 -8.442 5.552 212 HA ASP 37 HA ASP 37 -4.814 -10.305 7.483 213 HB2 ASP 37 HB2 ASP 37 -4.851 -10.803 4.497 214 HB3 ASP 37 HB1 ASP 37 -5.116 -12.005 5.757 215 H MET 38 HN MET 38 -2.817 -9.303 4.756 216 HA MET 38 HA MET 38 -0.496 -10.497 6.098 217 HB2 MET 38 HB2 MET 38 -1.582 -11.208 3.509 218 HB3 MET 38 HB1 MET 38 0.061 -10.602 3.353 219 HG2 MET 38 HG2 MET 38 0.533 -12.783 3.704 220 HG3 MET 38 HG1 MET 38 0.461 -12.256 5.384 221 HE1 MET 38 HE1 MET 38 -0.097 -15.349 5.712 222 HE2 MET 38 HE2 MET 38 -1.467 -14.954 6.751 223 HE3 MET 38 HE3 MET 38 -0.049 -13.904 6.720 224 H GLN 39 HN GLN 39 -0.397 -8.985 2.941 225 HA GLN 39 HA GLN 39 0.199 -6.376 3.963 226 HB2 GLN 39 HB2 GLN 39 2.473 -6.372 2.757 227 HB3 GLN 39 HB1 GLN 39 2.387 -7.143 4.334 228 HG2 GLN 39 HG2 GLN 39 1.933 -9.296 2.910 229 HG3 GLN 39 HG1 GLN 39 2.726 -8.360 1.643 230 HE21 GLN 39 HE21 GLN 39 4.800 -8.763 1.479 231 HE22 GLN 39 HE22 GLN 39 5.869 -9.180 2.770 232 H HIS 40 HN HIS 40 -1.677 -6.005 2.555 233 HA HIS 40 HA HIS 40 -0.794 -5.470 -0.164 234 HB2 HIS 40 HB2 HIS 40 -2.569 -7.723 0.507 235 HB3 HIS 40 HB1 HIS 40 -3.111 -6.713 -0.828 236 HD1 HIS 40 HD1 HIS 40 -1.586 -9.732 -0.544 237 HD2 HIS 40 HD2 HIS 40 -0.380 -6.241 -2.447 238 HE1 HIS 40 HE1 HIS 40 0.085 -10.455 -2.278 239 HE2 HIS 40 HE2 HIS 40 0.846 -8.320 -3.377 240 H CYS 41 HN CYS 41 -2.955 -4.916 -1.492 241 HA CYS 41 HA CYS 41 -4.791 -3.274 0.044 242 HB2 CYS 41 HB2 CYS 41 -3.251 -1.554 -0.244 243 HB3 CYS 41 HB1 CYS 41 -2.690 -2.177 -1.791 244 H CYS 42 HN CYS 42 -6.686 -2.731 -1.134 245 HA CYS 42 HA CYS 42 -6.937 -4.080 -3.741 246 HB2 CYS 42 HB2 CYS 42 -8.560 -4.355 -1.286 247 HB3 CYS 42 HB1 CYS 42 -9.472 -4.205 -2.784 248 HA PRO 43 HA PRO 43 -8.047 -0.092 -5.347 249 HB2 PRO 43 HB2 PRO 43 -9.826 -1.779 -7.060 250 HB3 PRO 43 HB1 PRO 43 -8.718 -0.482 -7.524 251 HG2 PRO 43 HG2 PRO 43 -8.021 -3.006 -7.907 252 HG3 PRO 43 HG1 PRO 43 -6.836 -1.833 -7.300 253 HD2 PRO 43 HD2 PRO 43 -8.305 -3.976 -5.828 254 HD3 PRO 43 HD1 PRO 43 -6.643 -3.390 -5.611 255 H ALA 44 HN ALA 44 -9.526 1.362 -4.798 256 HA ALA 44 HA ALA 44 -11.524 1.024 -2.995 257 HB1 ALA 44 HB1 ALA 44 -11.127 3.237 -3.315 258 HB2 ALA 44 HB2 ALA 44 -12.575 3.094 -4.312 259 HB3 ALA 44 HB3 ALA 44 -10.980 3.073 -5.065 260 H GLY 45 HN GLY 45 -13.471 0.129 -2.946 261 HA2 GLY 45 HA2 GLY 45 -15.650 -0.256 -3.846 262 HA3 GLY 45 HA1 GLY 45 -14.958 -0.194 -5.461 263 H TYR 46 HN TYR 46 -12.769 -1.948 -3.859 264 HA TYR 46 HA TYR 46 -14.189 -4.486 -4.329 265 HB2 TYR 46 HB2 TYR 46 -11.349 -3.704 -4.977 266 HB3 TYR 46 HB1 TYR 46 -11.857 -5.386 -4.873 267 HD1 TYR 46 HD1 TYR 46 -13.729 -6.164 -6.421 268 HD2 TYR 46 HD2 TYR 46 -11.679 -2.472 -6.943 269 HE1 TYR 46 HE1 TYR 46 -14.487 -6.080 -8.759 270 HE2 TYR 46 HE2 TYR 46 -12.432 -2.379 -9.283 271 HH TYR 46 HH TYR 46 -14.556 -3.458 -10.578 272 H LYS 47 HN LYS 47 -13.160 -6.342 -3.130 273 HA LYS 47 HA LYS 47 -12.226 -5.444 -0.481 274 HB2 LYS 47 HB2 LYS 47 -14.607 -6.471 -0.757 275 HB3 LYS 47 HB1 LYS 47 -13.745 -7.999 -0.878 276 HG2 LYS 47 HG2 LYS 47 -12.728 -6.597 1.367 277 HG3 LYS 47 HG1 LYS 47 -14.491 -6.565 1.447 278 HD2 LYS 47 HD2 LYS 47 -12.974 -9.097 0.884 279 HD3 LYS 47 HD1 LYS 47 -13.286 -8.548 2.533 280 HE2 LYS 47 HE2 LYS 47 -15.368 -9.113 0.423 281 HE3 LYS 47 HE1 LYS 47 -14.979 -10.147 1.796 282 HZ1 LYS 47 HZ1 LYS 47 -16.265 -7.484 1.821 283 HZ2 LYS 47 HZ2 LYS 47 -15.584 -8.157 3.214 284 HZ3 LYS 47 HZ3 LYS 47 -16.862 -8.944 2.434 285 H CYS 48 HN CYS 48 -10.835 -6.903 0.680 286 HA CYS 48 HA CYS 48 -8.962 -8.235 -1.084 287 HB2 CYS 48 HB2 CYS 48 -8.910 -7.818 1.913 288 HB3 CYS 48 HB1 CYS 48 -7.598 -8.512 0.968 289 H GLY 49 HN GLY 49 -8.277 -10.417 -0.839 290 HA2 GLY 49 HA2 GLY 49 -10.200 -12.143 0.590 291 HA3 GLY 49 HA1 GLY 49 -9.707 -12.498 -1.058 292 HA PRO 50 HA PRO 50 -6.782 -14.527 2.030 293 HB2 PRO 50 HB2 PRO 50 -7.434 -17.110 1.620 294 HB3 PRO 50 HB1 PRO 50 -8.294 -16.096 2.784 295 HG2 PRO 50 HG2 PRO 50 -9.077 -16.869 0.001 296 HG3 PRO 50 HG1 PRO 50 -10.076 -16.787 1.463 297 HD2 PRO 50 HD2 PRO 50 -10.032 -14.833 -0.443 298 HD3 PRO 50 HD1 PRO 50 -10.396 -14.525 1.266 299 H GLY 51 HN GLY 51 -7.702 -15.115 -1.286 300 HA2 GLY 51 HA2 GLY 51 -5.218 -16.500 -1.901 301 HA3 GLY 51 HA1 GLY 51 -6.523 -16.150 -3.023 302 H GLY 52 HN GLY 52 -5.509 -13.503 -1.118 303 HA2 GLY 52 HA2 GLY 52 -4.338 -11.589 -1.604 304 HA3 GLY 52 HA1 GLY 52 -3.315 -12.584 -2.629 305 H THR 53 HN THR 53 -6.778 -12.193 -3.065 306 HA THR 53 HA THR 53 -6.266 -10.520 -5.433 307 HB THR 53 HB THR 53 -8.477 -11.980 -6.171 308 HG1 THR 53 HG1 THR 53 -6.652 -13.663 -4.776 309 HG21 THR 53 HG21 THR 53 -7.100 -11.863 -7.935 310 HG22 THR 53 HG22 THR 53 -6.386 -13.356 -7.325 311 HG23 THR 53 HG23 THR 53 -5.663 -11.800 -6.915 312 H CYS 54 HN CYS 54 -8.060 -9.220 -6.121 313 HA CYS 54 HA CYS 54 -9.779 -8.459 -3.880 314 HB2 CYS 54 HB2 CYS 54 -9.227 -7.023 -6.486 315 HB3 CYS 54 HB1 CYS 54 -10.179 -6.391 -5.148 316 H ILE 55 HN ILE 55 -11.925 -8.742 -3.877 317 HA ILE 55 HA ILE 55 -13.180 -9.725 -6.358 318 HB ILE 55 HB ILE 55 -14.842 -10.797 -4.640 319 HG12 ILE 55 HG12 ILE 55 -12.311 -10.875 -3.000 320 HG13 ILE 55 HG11 ILE 55 -13.571 -9.680 -2.717 321 HG21 ILE 55 HG21 ILE 55 -12.130 -11.842 -5.402 322 HG22 ILE 55 HG22 ILE 55 -13.689 -12.172 -6.158 323 HG23 ILE 55 HG23 ILE 55 -13.323 -12.836 -4.566 324 HD11 ILE 55 HD11 ILE 55 -14.717 -12.304 -2.833 325 HD12 ILE 55 HD12 ILE 55 -14.735 -11.128 -1.519 326 HD13 ILE 55 HD13 ILE 55 -13.392 -12.261 -1.669 327 H SER 56 HN SER 56 -15.460 -9.262 -6.606 328 HA SER 56 HA SER 56 -16.076 -6.556 -5.886 329 HB2 SER 56 HB2 SER 56 -16.696 -7.908 -8.055 330 HB3 SER 56 HB1 SER 56 -18.099 -8.401 -7.105 331 HG SER 56 HG SER 56 -17.336 -5.693 -7.440 Start of MODEL 7 1 H1 ASP 1 HT1 ASP 1 3.782 16.597 -2.085 2 H2 ASP 1 HT2 ASP 1 2.768 16.544 -3.437 3 H3 ASP 1 HT3 ASP 1 4.430 16.286 -3.617 4 HA ASP 1 HA ASP 1 3.203 14.208 -3.741 5 HB2 ASP 1 HB2 ASP 1 4.441 13.373 -1.425 6 HB3 ASP 1 HB1 ASP 1 5.226 13.551 -2.990 7 H VAL 2 HN VAL 2 2.408 12.432 -2.131 8 HA VAL 2 HA VAL 2 0.177 13.617 -0.640 9 HB VAL 2 HB VAL 2 0.304 10.683 -1.072 10 HG11 VAL 2 HG11 VAL 2 -2.018 10.824 -1.094 11 HG12 VAL 2 HG12 VAL 2 -2.008 12.521 -1.577 12 HG13 VAL 2 HG13 VAL 2 -1.546 12.068 0.063 13 HG21 VAL 2 HG21 VAL 2 -0.382 12.587 -3.310 14 HG22 VAL 2 HG22 VAL 2 -0.509 10.829 -3.350 15 HG23 VAL 2 HG23 VAL 2 1.074 11.596 -3.229 16 H GLN 3 HN GLN 3 0.406 13.791 1.484 17 HA GLN 3 HA GLN 3 2.431 12.385 2.933 18 HB2 GLN 3 HB2 GLN 3 0.744 14.637 3.367 19 HB3 GLN 3 HB1 GLN 3 0.499 13.520 4.703 20 HG2 GLN 3 HG2 GLN 3 2.672 13.698 5.431 21 HG3 GLN 3 HG1 GLN 3 3.272 14.197 3.851 22 HE21 GLN 3 HE21 GLN 3 1.976 16.316 3.131 23 HE22 GLN 3 HE22 GLN 3 2.060 17.589 4.296 24 H CYS 4 HN CYS 4 2.210 10.256 3.243 25 HA CYS 4 HA CYS 4 -0.339 8.982 3.496 26 HB2 CYS 4 HB2 CYS 4 2.229 7.644 4.263 27 HB3 CYS 4 HB1 CYS 4 0.813 6.964 3.470 28 H GLY 5 HN GLY 5 2.188 9.974 5.751 29 HA2 GLY 5 HA2 GLY 5 0.660 10.423 7.938 30 HA3 GLY 5 HA1 GLY 5 0.899 8.684 7.996 31 H GLY 6 HN GLY 6 2.952 7.845 8.456 32 HA2 GLY 6 HA2 GLY 6 4.493 9.192 10.304 33 HA3 GLY 6 HA1 GLY 6 5.052 7.814 9.369 34 H GLY 7 HN GLY 7 5.752 8.387 7.064 35 HA2 GLY 7 HA2 GLY 7 6.657 11.070 6.612 36 HA3 GLY 7 HA1 GLY 7 7.961 10.005 7.108 37 H PHE 8 HN PHE 8 5.350 8.656 5.251 38 HA PHE 8 HA PHE 8 7.215 8.313 3.018 39 HB2 PHE 8 HB2 PHE 8 4.976 6.759 4.108 40 HB3 PHE 8 HB1 PHE 8 5.000 6.848 2.353 41 HD1 PHE 8 HD1 PHE 8 6.510 5.569 1.098 42 HD2 PHE 8 HD2 PHE 8 7.009 5.897 5.310 43 HE1 PHE 8 HE1 PHE 8 8.214 3.795 1.029 44 HE2 PHE 8 HE2 PHE 8 8.715 4.126 5.251 45 HZ PHE 8 HZ PHE 8 9.319 3.070 3.109 46 H SER 9 HN SER 9 5.740 8.014 0.870 47 HA SER 9 HA SER 9 3.630 9.852 0.486 48 HB2 SER 9 HB2 SER 9 5.213 11.285 -1.143 49 HB3 SER 9 HB1 SER 9 4.931 11.734 0.539 50 HG SER 9 HG SER 9 7.185 11.658 -0.143 51 H CYS 10 HN CYS 10 2.948 9.980 -1.756 52 HA CYS 10 HA CYS 10 4.267 8.101 -3.570 53 HB2 CYS 10 HB2 CYS 10 2.150 7.233 -2.160 54 HB3 CYS 10 HB1 CYS 10 1.306 7.980 -3.511 55 H HIS 11 HN HIS 11 2.734 8.132 -5.700 56 HA HIS 11 HA HIS 11 2.983 10.851 -6.642 57 HB2 HIS 11 HB2 HIS 11 3.140 8.283 -7.809 58 HB3 HIS 11 HB1 HIS 11 1.802 9.112 -8.598 59 HD1 HIS 11 HD1 HIS 11 4.080 11.673 -7.670 60 HD2 HIS 11 HD2 HIS 11 3.970 8.841 -10.710 61 HE1 HIS 11 HE1 HIS 11 5.642 12.530 -9.444 62 HE2 HIS 11 HE2 HIS 11 5.491 10.846 -11.311 63 H ASP 12 HN ASP 12 1.271 11.742 -8.110 64 HA ASP 12 HA ASP 12 -1.070 12.244 -6.684 65 HB2 ASP 12 HB2 ASP 12 -0.612 12.557 -9.659 66 HB3 ASP 12 HB1 ASP 12 -1.880 13.342 -8.721 67 H GLY 13 HN GLY 13 -3.042 11.329 -6.606 68 HA2 GLY 13 HA2 GLY 13 -4.840 9.999 -7.279 69 HA3 GLY 13 HA1 GLY 13 -3.875 9.421 -8.629 70 H GLU 14 HN GLU 14 -1.813 9.071 -6.183 71 HA GLU 14 HA GLU 14 -2.481 6.256 -5.861 72 HB2 GLU 14 HB2 GLU 14 -0.076 7.809 -4.898 73 HB3 GLU 14 HB1 GLU 14 -0.257 6.062 -4.849 74 HG2 GLU 14 HG2 GLU 14 -0.345 7.616 -7.413 75 HG3 GLU 14 HG1 GLU 14 1.160 7.035 -6.706 76 H THR 15 HN THR 15 -2.017 5.309 -3.621 77 HA THR 15 HA THR 15 -2.725 7.040 -1.395 78 HB THR 15 HB THR 15 -4.341 4.533 -1.834 79 HG1 THR 15 HG1 THR 15 -5.025 7.194 -2.615 80 HG21 THR 15 HG21 THR 15 -5.806 5.468 -0.189 81 HG22 THR 15 HG22 THR 15 -4.964 7.018 -0.235 82 HG23 THR 15 HG23 THR 15 -4.161 5.597 0.436 83 H CYS 16 HN CYS 16 -1.333 6.480 0.228 84 HA CYS 16 HA CYS 16 0.031 3.946 0.055 85 HB2 CYS 16 HB2 CYS 16 0.518 5.620 2.427 86 HB3 CYS 16 HB1 CYS 16 1.657 4.910 1.289 87 H CYS 17 HN CYS 17 0.319 2.619 2.020 88 HA CYS 17 HA CYS 17 -1.965 2.618 3.842 89 HB2 CYS 17 HB2 CYS 17 -1.206 0.388 1.968 90 HB3 CYS 17 HB1 CYS 17 -2.054 0.060 3.476 91 HA PRO 18 HA PRO 18 1.404 1.599 6.541 92 HB2 PRO 18 HB2 PRO 18 0.063 1.551 8.856 93 HB3 PRO 18 HB1 PRO 18 0.291 3.059 7.962 94 HG2 PRO 18 HG2 PRO 18 -2.119 1.298 8.125 95 HG3 PRO 18 HG1 PRO 18 -2.021 3.068 8.117 96 HD2 PRO 18 HD2 PRO 18 -2.615 1.498 5.908 97 HD3 PRO 18 HD1 PRO 18 -2.012 3.161 5.840 98 H THR 19 HN THR 19 1.092 -0.610 5.215 99 HA THR 19 HA THR 19 -0.155 -2.771 6.568 100 HB THR 19 HB THR 19 0.896 -4.208 4.978 101 HG1 THR 19 HG1 THR 19 2.756 -3.720 3.987 102 HG21 THR 19 HG21 THR 19 -0.210 -1.641 4.074 103 HG22 THR 19 HG22 THR 19 -0.655 -3.288 3.625 104 HG23 THR 19 HG23 THR 19 0.727 -2.506 2.855 105 H SER 20 HN SER 20 2.335 -0.974 7.590 106 HA SER 20 HA SER 20 3.337 -3.090 9.304 107 HB2 SER 20 HB2 SER 20 4.941 -1.796 7.168 108 HB3 SER 20 HB1 SER 20 5.726 -1.965 8.738 109 HG SER 20 HG SER 20 6.142 -3.886 7.937 110 H GLN 21 HN GLN 21 5.564 -1.492 10.242 111 HA GLN 21 HA GLN 21 4.042 0.597 11.647 112 HB2 GLN 21 HB2 GLN 21 6.469 -0.987 12.495 113 HB3 GLN 21 HB1 GLN 21 5.839 0.387 13.396 114 HG2 GLN 21 HG2 GLN 21 3.602 -1.095 13.151 115 HG3 GLN 21 HG1 GLN 21 4.824 -2.364 13.176 116 HE21 GLN 21 HE21 GLN 21 4.963 0.744 14.818 117 HE22 GLN 21 HE22 GLN 21 4.955 0.104 16.424 118 H THR 22 HN THR 22 6.777 -0.040 9.636 119 HA THR 22 HA THR 22 7.403 2.834 9.630 120 HB THR 22 HB THR 22 9.756 2.453 9.539 121 HG1 THR 22 HG1 THR 22 9.776 -0.252 9.963 122 HG21 THR 22 HG21 THR 22 8.325 0.969 11.713 123 HG22 THR 22 HG22 THR 22 9.172 2.514 11.787 124 HG23 THR 22 HG23 THR 22 10.087 1.011 11.671 125 H THR 23 HN THR 23 6.149 0.473 7.891 126 HA THR 23 HA THR 23 7.403 1.373 5.381 127 HB THR 23 HB THR 23 6.802 -1.332 6.346 128 HG1 THR 23 HG1 THR 23 8.295 -0.773 4.044 129 HG21 THR 23 HG21 THR 23 6.038 -0.567 3.525 130 HG22 THR 23 HG22 THR 23 4.960 -1.193 4.772 131 HG23 THR 23 HG23 THR 23 6.230 -2.220 4.108 132 H TRP 24 HN TRP 24 6.080 1.871 3.661 133 HA TRP 24 HA TRP 24 3.176 1.828 4.155 134 HB2 TRP 24 HB2 TRP 24 4.923 4.121 3.320 135 HB3 TRP 24 HB1 TRP 24 3.248 4.058 2.780 136 HD1 TRP 24 HD1 TRP 24 5.357 4.522 5.930 137 HE1 TRP 24 HE1 TRP 24 3.861 5.486 7.790 138 HE3 TRP 24 HE3 TRP 24 0.856 4.176 3.577 139 HZ2 TRP 24 HZ2 TRP 24 1.112 6.026 8.193 140 HZ3 TRP 24 HZ3 TRP 24 -1.163 4.932 4.755 141 HH2 TRP 24 HH2 TRP 24 -1.035 5.836 7.010 142 H GLY 25 HN GLY 25 2.097 0.834 2.561 143 HA2 GLY 25 HA2 GLY 25 3.481 0.275 0.049 144 HA3 GLY 25 HA1 GLY 25 1.992 -0.477 0.599 145 H CYS 26 HN CYS 26 2.904 1.043 -1.905 146 HA CYS 26 HA CYS 26 0.976 3.230 -1.936 147 HB2 CYS 26 HB2 CYS 26 3.286 2.421 -3.621 148 HB3 CYS 26 HB1 CYS 26 1.986 3.309 -4.410 149 H CYS 27 HN CYS 27 -0.945 3.154 -2.861 150 HA CYS 27 HA CYS 27 -1.620 0.834 -4.550 151 HB2 CYS 27 HB2 CYS 27 -2.753 1.448 -2.129 152 HB3 CYS 27 HB1 CYS 27 -3.853 2.240 -3.248 153 HA PRO 28 HA PRO 28 -2.626 4.021 -7.509 154 HB2 PRO 28 HB2 PRO 28 -3.268 2.142 -9.496 155 HB3 PRO 28 HB1 PRO 28 -1.685 2.860 -9.207 156 HG2 PRO 28 HG2 PRO 28 -2.404 0.156 -8.851 157 HG3 PRO 28 HG1 PRO 28 -0.896 0.929 -8.341 158 HD2 PRO 28 HD2 PRO 28 -3.316 0.262 -6.751 159 HD3 PRO 28 HD1 PRO 28 -1.616 0.362 -6.243 160 H SER 29 HN SER 29 -4.647 3.890 -5.789 161 HA SER 29 HA SER 29 -6.999 3.842 -7.516 162 HB2 SER 29 HB2 SER 29 -7.574 2.713 -4.873 163 HB3 SER 29 HB1 SER 29 -8.091 2.167 -6.468 164 HG SER 29 HG SER 29 -5.495 1.746 -5.406 165 HA PRO 30 HA PRO 30 -8.212 7.512 -5.399 166 HB2 PRO 30 HB2 PRO 30 -10.862 7.066 -4.800 167 HB3 PRO 30 HB1 PRO 30 -10.266 7.565 -6.386 168 HG2 PRO 30 HG2 PRO 30 -11.004 4.839 -5.410 169 HG3 PRO 30 HG1 PRO 30 -11.320 5.592 -6.984 170 HD2 PRO 30 HD2 PRO 30 -9.350 3.795 -6.645 171 HD3 PRO 30 HD1 PRO 30 -9.178 5.171 -7.755 172 H LYS 31 HN LYS 31 -10.129 4.996 -3.726 173 HA LYS 31 HA LYS 31 -9.325 6.141 -1.165 174 HB2 LYS 31 HB2 LYS 31 -11.258 3.873 -1.655 175 HB3 LYS 31 HB1 LYS 31 -11.079 4.822 -0.187 176 HG2 LYS 31 HG2 LYS 31 -11.779 6.829 -1.555 177 HG3 LYS 31 HG1 LYS 31 -12.230 5.685 -2.821 178 HD2 LYS 31 HD2 LYS 31 -13.249 5.340 -0.027 179 HD3 LYS 31 HD1 LYS 31 -14.030 6.474 -1.129 180 HE2 LYS 31 HE2 LYS 31 -14.178 4.556 -2.776 181 HE3 LYS 31 HE1 LYS 31 -13.701 3.501 -1.447 182 HZ1 LYS 31 HZ1 LYS 31 -16.221 4.879 -1.913 183 HZ2 LYS 31 HZ2 LYS 31 -15.697 4.811 -0.306 184 HZ3 LYS 31 HZ3 LYS 31 -15.924 3.383 -1.181 185 H ALA 32 HN ALA 32 -9.427 2.973 -2.755 186 HA ALA 32 HA ALA 32 -8.111 1.136 -2.621 187 HB1 ALA 32 HB1 ALA 32 -5.936 1.576 -2.681 188 HB2 ALA 32 HB2 ALA 32 -5.937 2.181 -1.025 189 HB3 ALA 32 HB3 ALA 32 -6.356 3.258 -2.357 190 H VAL 33 HN VAL 33 -8.262 -0.596 -1.372 191 HA VAL 33 HA VAL 33 -8.742 -0.220 1.506 192 HB VAL 33 HB VAL 33 -9.322 -2.795 0.088 193 HG11 VAL 33 HG11 VAL 33 -9.468 -2.354 2.621 194 HG12 VAL 33 HG12 VAL 33 -10.810 -3.184 1.834 195 HG13 VAL 33 HG13 VAL 33 -10.944 -1.472 2.230 196 HG21 VAL 33 HG21 VAL 33 -10.430 -1.320 -1.381 197 HG22 VAL 33 HG22 VAL 33 -10.981 -0.291 -0.059 198 HG23 VAL 33 HG23 VAL 33 -11.672 -1.899 -0.272 199 H CYS 34 HN CYS 34 -6.929 -0.534 2.642 200 HA CYS 34 HA CYS 34 -4.718 -2.025 1.663 201 HB2 CYS 34 HB2 CYS 34 -5.020 -1.307 4.553 202 HB3 CYS 34 HB1 CYS 34 -3.575 -1.287 3.546 203 H CYS 35 HN CYS 35 -5.042 -4.188 1.372 204 HA CYS 35 HA CYS 35 -6.541 -5.879 3.032 205 HB2 CYS 35 HB2 CYS 35 -5.340 -6.247 0.661 206 HB3 CYS 35 HB1 CYS 35 -4.124 -6.994 1.691 207 H ASP 36 HN ASP 36 -6.222 -6.281 5.085 208 HA ASP 36 HA ASP 36 -3.577 -5.920 6.252 209 HB2 ASP 36 HB2 ASP 36 -4.687 -5.814 8.384 210 HB3 ASP 36 HB1 ASP 36 -5.552 -4.787 7.244 211 H ASP 37 HN ASP 37 -5.523 -8.562 5.228 212 HA ASP 37 HA ASP 37 -5.074 -10.489 7.141 213 HB2 ASP 37 HB2 ASP 37 -5.460 -10.505 4.197 214 HB3 ASP 37 HB1 ASP 37 -4.786 -11.971 4.905 215 H MET 38 HN MET 38 -2.938 -9.359 4.586 216 HA MET 38 HA MET 38 -0.672 -10.548 6.017 217 HB2 MET 38 HB2 MET 38 -1.248 -10.742 3.060 218 HB3 MET 38 HB1 MET 38 0.349 -11.024 3.739 219 HG2 MET 38 HG2 MET 38 -1.098 -12.669 5.285 220 HG3 MET 38 HG1 MET 38 -2.070 -12.700 3.815 221 HE1 MET 38 HE1 MET 38 0.136 -15.831 4.498 222 HE2 MET 38 HE2 MET 38 -0.376 -14.583 5.634 223 HE3 MET 38 HE3 MET 38 1.328 -14.737 5.201 224 H GLN 39 HN GLN 39 -0.483 -8.975 2.888 225 HA GLN 39 HA GLN 39 0.050 -6.375 3.978 226 HB2 GLN 39 HB2 GLN 39 2.222 -7.438 4.368 227 HB3 GLN 39 HB1 GLN 39 2.287 -7.960 2.691 228 HG2 GLN 39 HG2 GLN 39 2.039 -5.361 2.257 229 HG3 GLN 39 HG1 GLN 39 2.751 -5.281 3.869 230 HE21 GLN 39 HE21 GLN 39 4.856 -5.011 3.803 231 HE22 GLN 39 HE22 GLN 39 5.940 -5.687 2.639 232 H HIS 40 HN HIS 40 -1.800 -6.013 2.520 233 HA HIS 40 HA HIS 40 -0.855 -5.477 -0.191 234 HB2 HIS 40 HB2 HIS 40 -2.944 -7.524 0.451 235 HB3 HIS 40 HB1 HIS 40 -3.017 -6.638 -1.066 236 HD1 HIS 40 HD1 HIS 40 -0.918 -6.962 -2.691 237 HD2 HIS 40 HD2 HIS 40 -1.177 -9.614 0.499 238 HE1 HIS 40 HE1 HIS 40 0.611 -8.871 -3.276 239 HE2 HIS 40 HE2 HIS 40 0.386 -10.495 -1.364 240 H CYS 41 HN CYS 41 -2.972 -4.873 -1.549 241 HA CYS 41 HA CYS 41 -4.932 -3.324 -0.151 242 HB2 CYS 41 HB2 CYS 41 -4.323 -1.152 -0.862 243 HB3 CYS 41 HB1 CYS 41 -2.833 -1.847 -0.239 244 H CYS 42 HN CYS 42 -6.656 -2.697 -1.572 245 HA CYS 42 HA CYS 42 -6.413 -3.699 -4.326 246 HB2 CYS 42 HB2 CYS 42 -7.606 -5.267 -2.627 247 HB3 CYS 42 HB1 CYS 42 -8.936 -4.119 -2.749 248 HA PRO 43 HA PRO 43 -8.022 0.138 -5.787 249 HB2 PRO 43 HB2 PRO 43 -9.845 -1.633 -7.368 250 HB3 PRO 43 HB1 PRO 43 -8.889 -0.244 -7.899 251 HG2 PRO 43 HG2 PRO 43 -8.057 -2.718 -8.398 252 HG3 PRO 43 HG1 PRO 43 -6.907 -1.452 -7.932 253 HD2 PRO 43 HD2 PRO 43 -7.944 -3.743 -6.350 254 HD3 PRO 43 HD1 PRO 43 -6.374 -2.925 -6.258 255 H ALA 44 HN ALA 44 -9.381 1.439 -4.820 256 HA ALA 44 HA ALA 44 -11.255 0.909 -2.958 257 HB1 ALA 44 HB1 ALA 44 -11.841 3.106 -3.044 258 HB2 ALA 44 HB2 ALA 44 -11.940 3.128 -4.804 259 HB3 ALA 44 HB3 ALA 44 -10.366 3.174 -4.009 260 H GLY 45 HN GLY 45 -13.043 -0.252 -2.928 261 HA2 GLY 45 HA2 GLY 45 -15.362 -0.386 -3.706 262 HA3 GLY 45 HA1 GLY 45 -14.737 -0.274 -5.346 263 H TYR 46 HN TYR 46 -12.507 -2.162 -4.006 264 HA TYR 46 HA TYR 46 -13.987 -4.606 -4.704 265 HB2 TYR 46 HB2 TYR 46 -11.067 -3.884 -4.838 266 HB3 TYR 46 HB1 TYR 46 -11.600 -5.560 -4.888 267 HD1 TYR 46 HD1 TYR 46 -14.209 -4.812 -6.491 268 HD2 TYR 46 HD2 TYR 46 -10.069 -4.002 -7.042 269 HE1 TYR 46 HE1 TYR 46 -14.576 -4.620 -8.913 270 HE2 TYR 46 HE2 TYR 46 -10.424 -3.808 -9.466 271 HH TYR 46 HH TYR 46 -12.602 -4.955 -11.105 272 H LYS 47 HN LYS 47 -13.060 -6.607 -3.561 273 HA LYS 47 HA LYS 47 -12.535 -6.017 -0.728 274 HB2 LYS 47 HB2 LYS 47 -14.901 -6.584 -0.982 275 HB3 LYS 47 HB1 LYS 47 -14.472 -8.071 -1.813 276 HG2 LYS 47 HG2 LYS 47 -13.249 -7.776 0.831 277 HG3 LYS 47 HG1 LYS 47 -15.013 -7.864 0.841 278 HD2 LYS 47 HD2 LYS 47 -14.458 -9.857 -0.880 279 HD3 LYS 47 HD1 LYS 47 -13.010 -9.916 0.127 280 HE2 LYS 47 HE2 LYS 47 -14.516 -11.384 1.163 281 HE3 LYS 47 HE1 LYS 47 -14.603 -9.905 2.119 282 HZ1 LYS 47 HZ1 LYS 47 -16.654 -9.339 1.163 283 HZ2 LYS 47 HZ2 LYS 47 -16.782 -10.989 1.515 284 HZ3 LYS 47 HZ3 LYS 47 -16.505 -10.484 -0.075 285 H CYS 48 HN CYS 48 -11.301 -7.553 0.400 286 HA CYS 48 HA CYS 48 -9.542 -9.120 -1.293 287 HB2 CYS 48 HB2 CYS 48 -9.427 -7.927 1.369 288 HB3 CYS 48 HB1 CYS 48 -8.793 -9.568 1.343 289 H GLY 49 HN GLY 49 -10.272 -11.083 -1.883 290 HA2 GLY 49 HA2 GLY 49 -12.046 -12.587 -0.153 291 HA3 GLY 49 HA1 GLY 49 -11.515 -13.049 -1.764 292 HA PRO 50 HA PRO 50 -9.239 -15.371 1.777 293 HB2 PRO 50 HB2 PRO 50 -10.686 -17.704 0.677 294 HB3 PRO 50 HB1 PRO 50 -10.421 -17.236 2.359 295 HG2 PRO 50 HG2 PRO 50 -12.826 -16.989 1.213 296 HG3 PRO 50 HG1 PRO 50 -12.232 -15.797 2.384 297 HD2 PRO 50 HD2 PRO 50 -12.352 -15.627 -0.604 298 HD3 PRO 50 HD1 PRO 50 -12.700 -14.377 0.610 299 H GLY 51 HN GLY 51 -7.366 -16.476 1.372 300 HA2 GLY 51 HA2 GLY 51 -5.731 -17.590 0.181 301 HA3 GLY 51 HA1 GLY 51 -6.929 -17.933 -1.058 302 H GLY 52 HN GLY 52 -6.318 -14.666 -0.004 303 HA2 GLY 52 HA2 GLY 52 -5.435 -12.848 -1.097 304 HA3 GLY 52 HA1 GLY 52 -4.301 -13.970 -1.838 305 H THR 53 HN THR 53 -7.117 -12.057 -2.280 306 HA THR 53 HA THR 53 -6.992 -12.243 -5.098 307 HB THR 53 HB THR 53 -9.614 -13.065 -4.927 308 HG1 THR 53 HG1 THR 53 -9.500 -15.011 -3.670 309 HG21 THR 53 HG21 THR 53 -7.390 -13.801 -6.302 310 HG22 THR 53 HG22 THR 53 -8.942 -14.630 -6.408 311 HG23 THR 53 HG23 THR 53 -7.684 -15.248 -5.338 312 H CYS 54 HN CYS 54 -9.083 -11.122 -6.049 313 HA CYS 54 HA CYS 54 -10.170 -9.186 -4.145 314 HB2 CYS 54 HB2 CYS 54 -8.405 -8.587 -6.459 315 HB3 CYS 54 HB1 CYS 54 -9.773 -7.511 -6.198 316 H ILE 55 HN ILE 55 -12.284 -8.920 -4.402 317 HA ILE 55 HA ILE 55 -13.483 -9.377 -7.043 318 HB ILE 55 HB ILE 55 -15.401 -10.546 -5.869 319 HG12 ILE 55 HG12 ILE 55 -13.372 -11.118 -3.715 320 HG13 ILE 55 HG11 ILE 55 -14.526 -9.796 -3.568 321 HG21 ILE 55 HG21 ILE 55 -13.588 -11.632 -7.253 322 HG22 ILE 55 HG22 ILE 55 -14.414 -12.682 -6.101 323 HG23 ILE 55 HG23 ILE 55 -12.806 -12.060 -5.731 324 HD11 ILE 55 HD11 ILE 55 -15.919 -12.172 -4.306 325 HD12 ILE 55 HD12 ILE 55 -16.072 -11.196 -2.844 326 HD13 ILE 55 HD13 ILE 55 -14.889 -12.502 -2.912 327 H SER 56 HN SER 56 -16.133 -9.048 -6.370 328 HA SER 56 HA SER 56 -16.245 -6.436 -5.031 329 HB2 SER 56 HB2 SER 56 -16.206 -5.981 -7.422 330 HB3 SER 56 HB1 SER 56 -17.519 -7.128 -7.688 331 HG SER 56 HG SER 56 -17.613 -4.656 -6.307 Start of MODEL 8 1 H1 ASP 1 HT1 ASP 1 2.859 15.939 -5.962 2 H2 ASP 1 HT2 ASP 1 3.138 16.960 -4.643 3 H3 ASP 1 HT3 ASP 1 1.569 16.426 -4.981 4 HA ASP 1 HA ASP 1 2.589 14.081 -4.690 5 HB2 ASP 1 HB2 ASP 1 4.350 15.554 -2.766 6 HB3 ASP 1 HB1 ASP 1 4.550 13.945 -3.453 7 H VAL 2 HN VAL 2 1.514 13.041 -3.081 8 HA VAL 2 HA VAL 2 0.210 14.731 -1.047 9 HB VAL 2 HB VAL 2 -0.819 12.027 -1.838 10 HG11 VAL 2 HG11 VAL 2 -2.044 12.681 -0.040 11 HG12 VAL 2 HG12 VAL 2 -2.982 13.477 -1.304 12 HG13 VAL 2 HG13 VAL 2 -1.808 14.399 -0.363 13 HG21 VAL 2 HG21 VAL 2 -1.379 12.694 -3.876 14 HG22 VAL 2 HG22 VAL 2 -0.632 14.266 -3.589 15 HG23 VAL 2 HG23 VAL 2 -2.328 14.006 -3.177 16 H GLN 3 HN GLN 3 2.200 14.428 0.231 17 HA GLN 3 HA GLN 3 3.400 12.193 1.113 18 HB2 GLN 3 HB2 GLN 3 3.477 13.386 3.423 19 HB3 GLN 3 HB1 GLN 3 4.246 14.140 2.034 20 HG2 GLN 3 HG2 GLN 3 2.664 15.792 1.877 21 HG3 GLN 3 HG1 GLN 3 1.421 14.827 2.671 22 HE21 GLN 3 HE21 GLN 3 4.727 15.528 3.697 23 HE22 GLN 3 HE22 GLN 3 4.293 16.329 5.166 24 H CYS 4 HN CYS 4 3.124 10.609 2.656 25 HA CYS 4 HA CYS 4 0.380 9.879 3.186 26 HB2 CYS 4 HB2 CYS 4 1.959 8.154 2.512 27 HB3 CYS 4 HB1 CYS 4 2.957 8.477 3.929 28 H GLY 5 HN GLY 5 3.259 10.146 5.277 29 HA2 GLY 5 HA2 GLY 5 1.807 11.591 7.287 30 HA3 GLY 5 HA1 GLY 5 2.088 9.917 7.728 31 H GLY 6 HN GLY 6 3.902 9.473 8.762 32 HA2 GLY 6 HA2 GLY 6 6.082 11.460 8.626 33 HA3 GLY 6 HA1 GLY 6 5.730 10.473 10.039 34 H GLY 7 HN GLY 7 6.556 10.109 6.585 35 HA2 GLY 7 HA2 GLY 7 8.899 8.723 6.898 36 HA3 GLY 7 HA1 GLY 7 7.653 7.493 7.001 37 H PHE 8 HN PHE 8 5.935 7.774 5.105 38 HA PHE 8 HA PHE 8 7.541 8.002 2.645 39 HB2 PHE 8 HB2 PHE 8 5.210 6.237 3.354 40 HB3 PHE 8 HB1 PHE 8 5.760 6.454 1.695 41 HD1 PHE 8 HD1 PHE 8 7.403 5.807 4.995 42 HD2 PHE 8 HD2 PHE 8 7.016 4.729 0.896 43 HE1 PHE 8 HE1 PHE 8 9.086 4.040 5.304 44 HE2 PHE 8 HE2 PHE 8 8.697 2.959 1.198 45 HZ PHE 8 HZ PHE 8 9.735 2.613 3.405 46 H SER 9 HN SER 9 5.795 7.996 0.711 47 HA SER 9 HA SER 9 3.626 9.849 1.077 48 HB2 SER 9 HB2 SER 9 5.483 10.864 -0.977 49 HB3 SER 9 HB1 SER 9 4.518 11.748 0.204 50 HG SER 9 HG SER 9 6.760 11.944 0.608 51 H CYS 10 HN CYS 10 2.450 10.190 -0.996 52 HA CYS 10 HA CYS 10 3.017 8.055 -2.939 53 HB2 CYS 10 HB2 CYS 10 0.491 8.686 -1.496 54 HB3 CYS 10 HB1 CYS 10 0.359 8.206 -3.183 55 H HIS 11 HN HIS 11 2.208 8.435 -5.088 56 HA HIS 11 HA HIS 11 2.497 11.213 -5.843 57 HB2 HIS 11 HB2 HIS 11 1.927 8.914 -7.709 58 HB3 HIS 11 HB1 HIS 11 2.725 10.439 -8.074 59 HD1 HIS 11 HD1 HIS 11 3.542 7.056 -7.716 60 HD2 HIS 11 HD2 HIS 11 5.245 10.564 -6.278 61 HE1 HIS 11 HE1 HIS 11 5.919 6.465 -7.142 62 HE2 HIS 11 HE2 HIS 11 6.927 8.599 -6.263 63 H ASP 12 HN ASP 12 0.996 11.950 -7.721 64 HA ASP 12 HA ASP 12 -1.555 12.349 -6.683 65 HB2 ASP 12 HB2 ASP 12 -0.682 13.904 -8.276 66 HB3 ASP 12 HB1 ASP 12 -0.478 12.643 -9.488 67 H GLY 13 HN GLY 13 -3.318 11.126 -6.613 68 HA2 GLY 13 HA2 GLY 13 -4.973 9.720 -7.523 69 HA3 GLY 13 HA1 GLY 13 -3.823 9.187 -8.737 70 H GLU 14 HN GLU 14 -1.922 8.880 -6.236 71 HA GLU 14 HA GLU 14 -2.663 6.092 -5.830 72 HB2 GLU 14 HB2 GLU 14 -0.234 7.223 -4.552 73 HB3 GLU 14 HB1 GLU 14 -0.470 5.671 -5.339 74 HG2 GLU 14 HG2 GLU 14 -0.724 7.686 -7.311 75 HG3 GLU 14 HG1 GLU 14 0.725 8.027 -6.363 76 H THR 15 HN THR 15 -2.194 5.192 -3.577 77 HA THR 15 HA THR 15 -3.025 7.026 -1.447 78 HB THR 15 HB THR 15 -4.286 4.317 -1.941 79 HG1 THR 15 HG1 THR 15 -4.926 6.817 -2.811 80 HG21 THR 15 HG21 THR 15 -3.977 5.717 0.450 81 HG22 THR 15 HG22 THR 15 -5.098 4.391 0.139 82 HG23 THR 15 HG23 THR 15 -5.629 6.062 -0.061 83 H CYS 16 HN CYS 16 -2.000 6.636 0.484 84 HA CYS 16 HA CYS 16 0.025 4.550 0.447 85 HB2 CYS 16 HB2 CYS 16 1.129 5.709 2.159 86 HB3 CYS 16 HB1 CYS 16 0.458 6.979 1.140 87 H CYS 17 HN CYS 17 -0.081 2.713 1.532 88 HA CYS 17 HA CYS 17 -2.133 2.416 3.622 89 HB2 CYS 17 HB2 CYS 17 -1.433 0.618 1.323 90 HB3 CYS 17 HB1 CYS 17 -2.103 -0.062 2.802 91 HA PRO 18 HA PRO 18 1.394 1.040 5.960 92 HB2 PRO 18 HB2 PRO 18 0.202 0.693 8.310 93 HB3 PRO 18 HB1 PRO 18 0.321 2.306 7.597 94 HG2 PRO 18 HG2 PRO 18 -2.013 0.429 7.644 95 HG3 PRO 18 HG1 PRO 18 -1.980 2.181 7.915 96 HD2 PRO 18 HD2 PRO 18 -2.651 0.965 5.516 97 HD3 PRO 18 HD1 PRO 18 -2.086 2.638 5.683 98 H THR 19 HN THR 19 2.245 -0.912 5.574 99 HA THR 19 HA THR 19 0.594 -3.299 5.643 100 HB THR 19 HB THR 19 2.293 -4.416 4.525 101 HG1 THR 19 HG1 THR 19 4.487 -3.704 4.600 102 HG21 THR 19 HG21 THR 19 2.208 -1.525 3.792 103 HG22 THR 19 HG22 THR 19 1.648 -2.933 2.888 104 HG23 THR 19 HG23 THR 19 3.373 -2.573 2.981 105 H SER 20 HN SER 20 2.423 -1.586 7.870 106 HA SER 20 HA SER 20 2.339 -3.814 9.721 107 HB2 SER 20 HB2 SER 20 4.964 -2.368 9.416 108 HB3 SER 20 HB1 SER 20 4.632 -3.878 10.266 109 HG SER 20 HG SER 20 5.432 -3.567 7.770 110 H GLN 21 HN GLN 21 4.464 -1.088 10.169 111 HA GLN 21 HA GLN 21 2.557 0.601 11.462 112 HB2 GLN 21 HB2 GLN 21 3.550 -1.483 13.030 113 HB3 GLN 21 HB1 GLN 21 4.514 -0.087 13.497 114 HG2 GLN 21 HG2 GLN 21 2.333 1.153 13.795 115 HG3 GLN 21 HG1 GLN 21 1.534 -0.410 13.635 116 HE21 GLN 21 HE21 GLN 21 0.789 0.238 15.821 117 HE22 GLN 21 HE22 GLN 21 1.771 -0.206 17.170 118 H THR 22 HN THR 22 5.661 -0.198 10.336 119 HA THR 22 HA THR 22 6.542 2.589 10.705 120 HB THR 22 HB THR 22 8.818 1.899 10.969 121 HG1 THR 22 HG1 THR 22 8.914 0.112 9.616 122 HG21 THR 22 HG21 THR 22 7.233 0.001 12.691 123 HG22 THR 22 HG22 THR 22 7.262 1.743 12.961 124 HG23 THR 22 HG23 THR 22 8.753 0.810 13.077 125 H THR 23 HN THR 23 5.532 0.354 8.552 126 HA THR 23 HA THR 23 7.259 1.358 6.387 127 HB THR 23 HB THR 23 6.322 -0.634 5.094 128 HG1 THR 23 HG1 THR 23 4.732 -1.537 6.204 129 HG21 THR 23 HG21 THR 23 8.013 -2.092 5.891 130 HG22 THR 23 HG22 THR 23 7.952 -1.394 7.511 131 HG23 THR 23 HG23 THR 23 8.612 -0.457 6.171 132 H TRP 24 HN TRP 24 6.134 1.525 4.237 133 HA TRP 24 HA TRP 24 3.284 2.062 4.334 134 HB2 TRP 24 HB2 TRP 24 5.360 4.200 4.113 135 HB3 TRP 24 HB1 TRP 24 3.870 4.372 3.194 136 HD1 TRP 24 HD1 TRP 24 5.293 5.087 6.514 137 HE1 TRP 24 HE1 TRP 24 3.444 5.800 8.162 138 HE3 TRP 24 HE3 TRP 24 1.225 3.717 3.780 139 HZ2 TRP 24 HZ2 TRP 24 0.626 5.782 8.276 140 HZ3 TRP 24 HZ3 TRP 24 -1.018 4.113 4.714 141 HH2 TRP 24 HH2 TRP 24 -1.308 5.113 6.918 142 H GLY 25 HN GLY 25 2.301 1.915 2.346 143 HA2 GLY 25 HA2 GLY 25 4.086 1.487 0.028 144 HA3 GLY 25 HA1 GLY 25 2.719 0.431 0.348 145 H CYS 26 HN CYS 26 3.077 1.831 -2.078 146 HA CYS 26 HA CYS 26 0.933 3.848 -1.920 147 HB2 CYS 26 HB2 CYS 26 3.399 3.667 -3.581 148 HB3 CYS 26 HB1 CYS 26 1.973 4.392 -4.314 149 H CYS 27 HN CYS 27 -0.896 3.537 -3.034 150 HA CYS 27 HA CYS 27 -1.003 1.270 -4.912 151 HB2 CYS 27 HB2 CYS 27 -2.392 1.536 -2.512 152 HB3 CYS 27 HB1 CYS 27 -3.573 1.982 -3.738 153 HA PRO 28 HA PRO 28 -2.218 4.532 -7.721 154 HB2 PRO 28 HB2 PRO 28 -2.519 3.003 -9.925 155 HB3 PRO 28 HB1 PRO 28 -0.931 3.434 -9.279 156 HG2 PRO 28 HG2 PRO 28 -2.482 0.895 -8.961 157 HG3 PRO 28 HG1 PRO 28 -0.752 1.117 -9.280 158 HD2 PRO 28 HD2 PRO 28 -1.754 0.565 -6.808 159 HD3 PRO 28 HD1 PRO 28 -0.266 1.498 -7.067 160 H SER 29 HN SER 29 -4.241 3.269 -5.983 161 HA SER 29 HA SER 29 -6.527 3.280 -7.841 162 HB2 SER 29 HB2 SER 29 -5.789 1.385 -5.833 163 HB3 SER 29 HB1 SER 29 -7.284 2.171 -5.326 164 HG SER 29 HG SER 29 -6.770 0.750 -7.718 165 HA PRO 30 HA PRO 30 -8.227 6.929 -6.051 166 HB2 PRO 30 HB2 PRO 30 -10.708 5.342 -5.564 167 HB3 PRO 30 HB1 PRO 30 -10.510 6.901 -6.374 168 HG2 PRO 30 HG2 PRO 30 -10.915 4.685 -7.789 169 HG3 PRO 30 HG1 PRO 30 -9.783 5.929 -8.352 170 HD2 PRO 30 HD2 PRO 30 -9.222 3.275 -7.113 171 HD3 PRO 30 HD1 PRO 30 -8.323 4.148 -8.369 172 H LYS 31 HN LYS 31 -10.087 4.514 -4.246 173 HA LYS 31 HA LYS 31 -9.196 5.724 -1.745 174 HB2 LYS 31 HB2 LYS 31 -11.624 5.251 -2.183 175 HB3 LYS 31 HB1 LYS 31 -11.240 3.535 -2.170 176 HG2 LYS 31 HG2 LYS 31 -10.390 3.820 0.158 177 HG3 LYS 31 HG1 LYS 31 -11.004 5.475 0.116 178 HD2 LYS 31 HD2 LYS 31 -13.254 4.475 -0.488 179 HD3 LYS 31 HD1 LYS 31 -12.565 2.908 -0.063 180 HE2 LYS 31 HE2 LYS 31 -12.126 3.671 2.189 181 HE3 LYS 31 HE1 LYS 31 -12.684 5.292 1.779 182 HZ1 LYS 31 HZ1 LYS 31 -14.890 4.435 1.418 183 HZ2 LYS 31 HZ2 LYS 31 -14.365 3.983 2.962 184 HZ3 LYS 31 HZ3 LYS 31 -14.372 2.850 1.706 185 H ALA 32 HN ALA 32 -9.597 2.452 -3.060 186 HA ALA 32 HA ALA 32 -8.413 0.539 -2.849 187 HB1 ALA 32 HB1 ALA 32 -6.472 1.447 -3.651 188 HB2 ALA 32 HB2 ALA 32 -5.947 0.886 -2.063 189 HB3 ALA 32 HB3 ALA 32 -6.322 2.591 -2.317 190 H VAL 33 HN VAL 33 -8.642 -0.994 -1.400 191 HA VAL 33 HA VAL 33 -8.728 -0.293 1.442 192 HB VAL 33 HB VAL 33 -9.501 -2.893 0.100 193 HG11 VAL 33 HG11 VAL 33 -9.058 -2.240 2.821 194 HG12 VAL 33 HG12 VAL 33 -9.678 -3.746 2.142 195 HG13 VAL 33 HG13 VAL 33 -10.794 -2.457 2.595 196 HG21 VAL 33 HG21 VAL 33 -11.692 -2.184 -0.012 197 HG22 VAL 33 HG22 VAL 33 -10.828 -0.693 -0.386 198 HG23 VAL 33 HG23 VAL 33 -11.471 -0.957 1.235 199 H CYS 34 HN CYS 34 -6.937 -0.558 2.597 200 HA CYS 34 HA CYS 34 -4.660 -1.914 1.598 201 HB2 CYS 34 HB2 CYS 34 -4.995 -1.197 4.489 202 HB3 CYS 34 HB1 CYS 34 -3.546 -1.137 3.492 203 H CYS 35 HN CYS 35 -5.117 -4.105 1.239 204 HA CYS 35 HA CYS 35 -6.378 -5.871 2.955 205 HB2 CYS 35 HB2 CYS 35 -5.132 -6.101 0.540 206 HB3 CYS 35 HB1 CYS 35 -3.996 -6.953 1.581 207 H ASP 36 HN ASP 36 -5.968 -5.972 5.053 208 HA ASP 36 HA ASP 36 -3.233 -5.793 6.031 209 HB2 ASP 36 HB2 ASP 36 -5.610 -4.772 6.967 210 HB3 ASP 36 HB1 ASP 36 -5.334 -6.147 8.033 211 H ASP 37 HN ASP 37 -5.532 -8.292 5.363 212 HA ASP 37 HA ASP 37 -5.047 -10.122 7.373 213 HB2 ASP 37 HB2 ASP 37 -6.034 -10.190 4.637 214 HB3 ASP 37 HB1 ASP 37 -5.127 -11.646 5.035 215 H MET 38 HN MET 38 -3.181 -9.425 4.475 216 HA MET 38 HA MET 38 -0.922 -10.907 5.639 217 HB2 MET 38 HB2 MET 38 -0.257 -11.042 3.073 218 HB3 MET 38 HB1 MET 38 -1.298 -12.249 3.816 219 HG2 MET 38 HG2 MET 38 -3.217 -11.380 2.824 220 HG3 MET 38 HG1 MET 38 -2.442 -9.840 2.457 221 HE1 MET 38 HE1 MET 38 -2.960 -13.613 0.558 222 HE2 MET 38 HE2 MET 38 -3.673 -12.358 -0.454 223 HE3 MET 38 HE3 MET 38 -4.042 -12.416 1.270 224 H GLN 39 HN GLN 39 -0.544 -9.223 2.644 225 HA GLN 39 HA GLN 39 0.204 -6.716 3.842 226 HB2 GLN 39 HB2 GLN 39 2.279 -8.564 2.655 227 HB3 GLN 39 HB1 GLN 39 2.528 -6.831 2.796 228 HG2 GLN 39 HG2 GLN 39 1.910 -7.272 5.308 229 HG3 GLN 39 HG1 GLN 39 2.418 -8.912 4.914 230 HE21 GLN 39 HE21 GLN 39 4.565 -9.300 4.359 231 HE22 GLN 39 HE22 GLN 39 5.822 -8.169 4.714 232 H HIS 40 HN HIS 40 -1.562 -6.114 2.350 233 HA HIS 40 HA HIS 40 -0.485 -5.389 -0.224 234 HB2 HIS 40 HB2 HIS 40 -1.539 -7.900 -0.138 235 HB3 HIS 40 HB1 HIS 40 -2.929 -6.955 -0.662 236 HD1 HIS 40 HD1 HIS 40 -3.099 -7.102 -3.116 237 HD2 HIS 40 HD2 HIS 40 0.854 -6.823 -1.866 238 HE1 HIS 40 HE1 HIS 40 -1.730 -7.046 -5.224 239 HE2 HIS 40 HE2 HIS 40 0.664 -6.944 -4.443 240 H CYS 41 HN CYS 41 -2.526 -4.812 -1.721 241 HA CYS 41 HA CYS 41 -4.522 -3.306 -0.220 242 HB2 CYS 41 HB2 CYS 41 -3.148 -1.484 -0.437 243 HB3 CYS 41 HB1 CYS 41 -2.328 -2.135 -1.851 244 H CYS 42 HN CYS 42 -6.415 -2.894 -1.416 245 HA CYS 42 HA CYS 42 -6.539 -4.234 -4.034 246 HB2 CYS 42 HB2 CYS 42 -8.045 -4.719 -1.626 247 HB3 CYS 42 HB1 CYS 42 -9.126 -4.222 -2.924 248 HA PRO 43 HA PRO 43 -8.122 -0.549 -5.836 249 HB2 PRO 43 HB2 PRO 43 -10.029 -1.531 -7.535 250 HB3 PRO 43 HB1 PRO 43 -8.293 -1.598 -7.855 251 HG2 PRO 43 HG2 PRO 43 -10.103 -3.719 -6.763 252 HG3 PRO 43 HG1 PRO 43 -8.813 -3.861 -7.973 253 HD2 PRO 43 HD2 PRO 43 -8.438 -4.604 -5.419 254 HD3 PRO 43 HD1 PRO 43 -7.139 -3.858 -6.373 255 H ALA 44 HN ALA 44 -9.474 0.960 -5.191 256 HA ALA 44 HA ALA 44 -11.339 0.784 -3.227 257 HB1 ALA 44 HB1 ALA 44 -12.098 2.935 -3.826 258 HB2 ALA 44 HB2 ALA 44 -11.688 2.692 -5.525 259 HB3 ALA 44 HB3 ALA 44 -10.407 2.869 -4.324 260 H GLY 45 HN GLY 45 -13.373 0.070 -2.986 261 HA2 GLY 45 HA2 GLY 45 -15.607 -0.269 -3.714 262 HA3 GLY 45 HA1 GLY 45 -15.031 -0.315 -5.372 263 H TYR 46 HN TYR 46 -12.823 -2.175 -3.963 264 HA TYR 46 HA TYR 46 -14.466 -4.602 -4.260 265 HB2 TYR 46 HB2 TYR 46 -11.540 -4.160 -4.879 266 HB3 TYR 46 HB1 TYR 46 -12.326 -5.734 -4.900 267 HD1 TYR 46 HD1 TYR 46 -13.144 -6.525 -6.906 268 HD2 TYR 46 HD2 TYR 46 -12.716 -2.324 -6.387 269 HE1 TYR 46 HE1 TYR 46 -13.810 -6.174 -9.246 270 HE2 TYR 46 HE2 TYR 46 -13.382 -1.962 -8.727 271 HH TYR 46 HH TYR 46 -13.292 -4.118 -11.019 272 H LYS 47 HN LYS 47 -13.575 -6.515 -3.064 273 HA LYS 47 HA LYS 47 -12.494 -5.699 -0.449 274 HB2 LYS 47 HB2 LYS 47 -14.968 -6.372 -0.554 275 HB3 LYS 47 HB1 LYS 47 -14.388 -8.006 -0.848 276 HG2 LYS 47 HG2 LYS 47 -13.026 -6.919 1.415 277 HG3 LYS 47 HG1 LYS 47 -14.766 -6.712 1.619 278 HD2 LYS 47 HD2 LYS 47 -13.462 -9.319 0.850 279 HD3 LYS 47 HD1 LYS 47 -13.855 -8.869 2.510 280 HE2 LYS 47 HE2 LYS 47 -15.780 -9.222 0.217 281 HE3 LYS 47 HE1 LYS 47 -15.608 -10.268 1.626 282 HZ1 LYS 47 HZ1 LYS 47 -16.431 -7.419 1.757 283 HZ2 LYS 47 HZ2 LYS 47 -16.418 -8.531 3.031 284 HZ3 LYS 47 HZ3 LYS 47 -17.511 -8.721 1.755 285 H CYS 48 HN CYS 48 -11.317 -7.383 0.710 286 HA CYS 48 HA CYS 48 -9.639 -8.902 -1.102 287 HB2 CYS 48 HB2 CYS 48 -9.496 -8.064 1.752 288 HB3 CYS 48 HB1 CYS 48 -8.595 -9.500 1.277 289 H GLY 49 HN GLY 49 -9.335 -11.134 -1.060 290 HA2 GLY 49 HA2 GLY 49 -11.141 -12.705 0.641 291 HA3 GLY 49 HA1 GLY 49 -11.242 -12.913 -1.101 292 HA PRO 50 HA PRO 50 -7.981 -15.749 0.982 293 HB2 PRO 50 HB2 PRO 50 -9.746 -17.856 -0.116 294 HB3 PRO 50 HB1 PRO 50 -8.959 -17.757 1.461 295 HG2 PRO 50 HG2 PRO 50 -11.590 -17.376 1.207 296 HG3 PRO 50 HG1 PRO 50 -10.630 -16.431 2.361 297 HD2 PRO 50 HD2 PRO 50 -11.682 -15.641 -0.328 298 HD3 PRO 50 HD1 PRO 50 -11.594 -14.692 1.172 299 H GLY 51 HN GLY 51 -6.384 -16.820 -0.172 300 HA2 GLY 51 HA2 GLY 51 -5.475 -17.888 -2.085 301 HA3 GLY 51 HA1 GLY 51 -6.800 -17.242 -3.042 302 H GLY 52 HN GLY 52 -6.549 -14.533 -2.081 303 HA2 GLY 52 HA2 GLY 52 -4.846 -12.800 -2.069 304 HA3 GLY 52 HA1 GLY 52 -3.907 -13.796 -3.172 305 H THR 53 HN THR 53 -7.361 -13.221 -3.443 306 HA THR 53 HA THR 53 -6.866 -11.518 -5.795 307 HB THR 53 HB THR 53 -8.501 -12.623 -7.092 308 HG1 THR 53 HG1 THR 53 -9.416 -13.458 -4.633 309 HG21 THR 53 HG21 THR 53 -7.543 -14.699 -7.451 310 HG22 THR 53 HG22 THR 53 -7.312 -15.006 -5.729 311 HG23 THR 53 HG23 THR 53 -6.263 -13.865 -6.570 312 H CYS 54 HN CYS 54 -8.617 -10.083 -6.347 313 HA CYS 54 HA CYS 54 -10.111 -9.252 -3.975 314 HB2 CYS 54 HB2 CYS 54 -8.646 -7.802 -5.788 315 HB3 CYS 54 HB1 CYS 54 -10.293 -7.554 -6.360 316 H ILE 55 HN ILE 55 -12.284 -9.234 -3.856 317 HA ILE 55 HA ILE 55 -13.789 -10.127 -6.231 318 HB ILE 55 HB ILE 55 -15.394 -11.147 -4.504 319 HG12 ILE 55 HG12 ILE 55 -13.064 -11.571 -2.730 320 HG13 ILE 55 HG11 ILE 55 -13.774 -9.960 -2.684 321 HG21 ILE 55 HG21 ILE 55 -13.587 -12.256 -6.057 322 HG22 ILE 55 HG22 ILE 55 -14.446 -13.202 -4.841 323 HG23 ILE 55 HG23 ILE 55 -12.811 -12.625 -4.516 324 HD11 ILE 55 HD11 ILE 55 -14.588 -11.960 -1.127 325 HD12 ILE 55 HD12 ILE 55 -15.647 -12.233 -2.512 326 HD13 ILE 55 HD13 ILE 55 -15.662 -10.678 -1.682 327 H SER 56 HN SER 56 -16.122 -9.563 -6.156 328 HA SER 56 HA SER 56 -16.534 -6.978 -4.801 329 HB2 SER 56 HB2 SER 56 -17.690 -6.148 -6.668 330 HB3 SER 56 HB1 SER 56 -16.346 -7.037 -7.385 331 HG SER 56 HG SER 56 -17.694 -8.509 -8.129 Start of MODEL 9 1 H1 ASP 1 HT1 ASP 1 2.021 16.637 -4.211 2 H2 ASP 1 HT2 ASP 1 3.229 16.368 -5.365 3 H3 ASP 1 HT3 ASP 1 3.650 16.660 -3.753 4 HA ASP 1 HA ASP 1 2.591 14.234 -4.996 5 HB2 ASP 1 HB2 ASP 1 4.676 14.919 -2.916 6 HB3 ASP 1 HB1 ASP 1 4.230 13.263 -3.316 7 H VAL 2 HN VAL 2 2.129 12.475 -3.277 8 HA VAL 2 HA VAL 2 0.053 13.552 -1.512 9 HB VAL 2 HB VAL 2 0.546 10.667 -2.257 10 HG11 VAL 2 HG11 VAL 2 -1.102 11.881 -0.302 11 HG12 VAL 2 HG12 VAL 2 -1.024 10.181 -0.766 12 HG13 VAL 2 HG13 VAL 2 -2.152 11.266 -1.578 13 HG21 VAL 2 HG21 VAL 2 -0.640 10.913 -4.143 14 HG22 VAL 2 HG22 VAL 2 -0.246 12.626 -3.987 15 HG23 VAL 2 HG23 VAL 2 -1.790 12.017 -3.389 16 H GLN 3 HN GLN 3 1.028 14.173 0.342 17 HA GLN 3 HA GLN 3 3.159 12.805 1.596 18 HB2 GLN 3 HB2 GLN 3 2.247 15.252 1.892 19 HB3 GLN 3 HB1 GLN 3 1.260 14.519 3.150 20 HG2 GLN 3 HG2 GLN 3 3.713 13.529 3.757 21 HG3 GLN 3 HG1 GLN 3 4.126 15.114 3.104 22 HE21 GLN 3 HE21 GLN 3 2.527 13.386 5.647 23 HE22 GLN 3 HE22 GLN 3 2.292 14.736 6.700 24 H CYS 4 HN CYS 4 3.004 10.801 2.356 25 HA CYS 4 HA CYS 4 0.514 9.727 3.333 26 HB2 CYS 4 HB2 CYS 4 3.307 8.547 3.232 27 HB3 CYS 4 HB1 CYS 4 1.871 7.672 3.756 28 H GLY 5 HN GLY 5 3.396 11.117 4.641 29 HA2 GLY 5 HA2 GLY 5 3.031 12.114 6.910 30 HA3 GLY 5 HA1 GLY 5 2.439 10.524 7.373 31 H GLY 6 HN GLY 6 4.475 11.611 8.824 32 HA2 GLY 6 HA2 GLY 6 7.084 11.298 8.120 33 HA3 GLY 6 HA1 GLY 6 6.481 10.888 9.719 34 H GLY 7 HN GLY 7 7.354 9.656 6.567 35 HA2 GLY 7 HA2 GLY 7 8.427 7.277 7.390 36 HA3 GLY 7 HA1 GLY 7 6.721 6.927 7.169 37 H PHE 8 HN PHE 8 5.802 7.590 4.978 38 HA PHE 8 HA PHE 8 7.834 7.028 2.913 39 HB2 PHE 8 HB2 PHE 8 5.133 5.949 3.404 40 HB3 PHE 8 HB1 PHE 8 5.515 6.303 1.723 41 HD1 PHE 8 HD1 PHE 8 6.766 4.455 4.694 42 HD2 PHE 8 HD2 PHE 8 6.771 4.821 0.454 43 HE1 PHE 8 HE1 PHE 8 7.993 2.329 4.515 44 HE2 PHE 8 HE2 PHE 8 7.996 2.696 0.267 45 HZ PHE 8 HZ PHE 8 8.609 1.447 2.298 46 H SER 9 HN SER 9 6.625 7.465 0.659 47 HA SER 9 HA SER 9 5.059 9.818 0.440 48 HB2 SER 9 HB2 SER 9 7.194 10.841 -0.941 49 HB3 SER 9 HB1 SER 9 6.733 11.327 0.690 50 HG SER 9 HG SER 9 8.612 10.608 1.266 51 H CYS 10 HN CYS 10 4.316 10.088 -1.692 52 HA CYS 10 HA CYS 10 5.496 8.385 -3.754 53 HB2 CYS 10 HB2 CYS 10 2.942 7.895 -2.422 54 HB3 CYS 10 HB1 CYS 10 2.812 7.962 -4.174 55 H HIS 11 HN HIS 11 3.827 8.618 -5.777 56 HA HIS 11 HA HIS 11 4.019 11.429 -6.454 57 HB2 HIS 11 HB2 HIS 11 2.993 9.342 -8.338 58 HB3 HIS 11 HB1 HIS 11 3.946 10.783 -8.681 59 HD1 HIS 11 HD1 HIS 11 4.241 7.191 -7.980 60 HD2 HIS 11 HD2 HIS 11 6.742 10.508 -8.008 61 HE1 HIS 11 HE1 HIS 11 6.579 6.267 -7.990 62 HE2 HIS 11 HE2 HIS 11 8.075 8.294 -7.907 63 H ASP 12 HN ASP 12 2.379 12.623 -7.477 64 HA ASP 12 HA ASP 12 -0.044 12.766 -6.163 65 HB2 ASP 12 HB2 ASP 12 -0.805 14.020 -8.305 66 HB3 ASP 12 HB1 ASP 12 0.536 14.681 -7.374 67 H GLY 13 HN GLY 13 -2.001 11.820 -6.364 68 HA2 GLY 13 HA2 GLY 13 -3.721 10.688 -7.554 69 HA3 GLY 13 HA1 GLY 13 -2.515 10.128 -8.705 70 H GLU 14 HN GLU 14 -1.055 9.696 -5.842 71 HA GLU 14 HA GLU 14 -1.724 6.856 -5.810 72 HB2 GLU 14 HB2 GLU 14 0.200 6.574 -4.433 73 HB3 GLU 14 HB1 GLU 14 0.637 7.729 -5.687 74 HG2 GLU 14 HG2 GLU 14 1.409 8.974 -4.012 75 HG3 GLU 14 HG1 GLU 14 -0.283 9.368 -3.719 76 H THR 15 HN THR 15 -1.828 5.800 -3.586 77 HA THR 15 HA THR 15 -3.388 7.418 -1.689 78 HB THR 15 HB THR 15 -4.069 4.597 -2.551 79 HG1 THR 15 HG1 THR 15 -4.826 5.996 -4.096 80 HG21 THR 15 HG21 THR 15 -4.709 6.094 -0.176 81 HG22 THR 15 HG22 THR 15 -5.113 4.427 -0.588 82 HG23 THR 15 HG23 THR 15 -6.173 5.742 -1.095 83 H CYS 16 HN CYS 16 -2.719 7.231 0.359 84 HA CYS 16 HA CYS 16 -0.567 5.361 0.936 85 HB2 CYS 16 HB2 CYS 16 -1.688 7.507 2.737 86 HB3 CYS 16 HB1 CYS 16 -0.132 6.690 2.886 87 H CYS 17 HN CYS 17 -0.948 3.452 1.808 88 HA CYS 17 HA CYS 17 -3.201 3.189 3.686 89 HB2 CYS 17 HB2 CYS 17 -4.136 1.735 2.261 90 HB3 CYS 17 HB1 CYS 17 -2.726 1.768 1.214 91 HA PRO 18 HA PRO 18 0.252 1.844 6.204 92 HB2 PRO 18 HB2 PRO 18 -0.962 1.991 8.576 93 HB3 PRO 18 HB1 PRO 18 -0.570 3.456 7.663 94 HG2 PRO 18 HG2 PRO 18 -3.189 2.022 7.905 95 HG3 PRO 18 HG1 PRO 18 -2.856 3.764 7.974 96 HD2 PRO 18 HD2 PRO 18 -3.757 2.448 5.730 97 HD3 PRO 18 HD1 PRO 18 -2.844 3.969 5.695 98 H THR 19 HN THR 19 -0.143 -0.278 5.012 99 HA THR 19 HA THR 19 -1.668 -2.244 6.523 100 HB THR 19 HB THR 19 -1.814 -2.292 4.078 101 HG1 THR 19 HG1 THR 19 -1.504 -4.314 5.629 102 HG21 THR 19 HG21 THR 19 1.011 -1.982 4.238 103 HG22 THR 19 HG22 THR 19 -0.014 -1.985 2.803 104 HG23 THR 19 HG23 THR 19 0.668 -3.498 3.402 105 H SER 20 HN SER 20 1.246 -0.939 6.995 106 HA SER 20 HA SER 20 2.403 -3.489 7.914 107 HB2 SER 20 HB2 SER 20 4.039 -1.100 7.065 108 HB3 SER 20 HB1 SER 20 4.595 -2.747 7.362 109 HG SER 20 HG SER 20 2.695 -2.180 5.356 110 H GLN 21 HN GLN 21 4.499 -2.588 9.374 111 HA GLN 21 HA GLN 21 3.152 -1.467 11.687 112 HB2 GLN 21 HB2 GLN 21 5.166 -3.368 11.322 113 HB3 GLN 21 HB1 GLN 21 5.980 -1.988 12.044 114 HG2 GLN 21 HG2 GLN 21 3.514 -3.295 13.166 115 HG3 GLN 21 HG1 GLN 21 5.162 -3.633 13.692 116 HE21 GLN 21 HE21 GLN 21 2.459 -1.904 14.369 117 HE22 GLN 21 HE22 GLN 21 3.153 -0.635 15.314 118 H THR 22 HN THR 22 6.163 -0.794 9.887 119 HA THR 22 HA THR 22 5.873 2.028 10.678 120 HB THR 22 HB THR 22 7.711 0.934 11.938 121 HG1 THR 22 HG1 THR 22 9.274 2.556 11.361 122 HG21 THR 22 HG21 THR 22 9.309 -0.312 10.978 123 HG22 THR 22 HG22 THR 22 9.547 0.848 9.672 124 HG23 THR 22 HG23 THR 22 8.258 -0.350 9.562 125 H THR 23 HN THR 23 5.159 0.475 8.194 126 HA THR 23 HA THR 23 6.691 2.139 6.303 127 HB THR 23 HB THR 23 7.079 0.438 4.883 128 HG1 THR 23 HG1 THR 23 5.511 -0.975 4.232 129 HG21 THR 23 HG21 THR 23 6.917 -1.889 6.053 130 HG22 THR 23 HG22 THR 23 6.501 -0.935 7.476 131 HG23 THR 23 HG23 THR 23 8.045 -0.680 6.665 132 H TRP 24 HN TRP 24 5.394 2.110 4.081 133 HA TRP 24 HA TRP 24 2.525 2.441 4.584 134 HB2 TRP 24 HB2 TRP 24 4.455 4.561 3.750 135 HB3 TRP 24 HB1 TRP 24 2.840 4.585 3.052 136 HD1 TRP 24 HD1 TRP 24 4.715 5.303 6.258 137 HE1 TRP 24 HE1 TRP 24 3.106 6.376 7.957 138 HE3 TRP 24 HE3 TRP 24 0.338 4.594 3.757 139 HZ2 TRP 24 HZ2 TRP 24 0.334 6.864 8.192 140 HZ3 TRP 24 HZ3 TRP 24 -1.756 5.387 4.777 141 HH2 TRP 24 HH2 TRP 24 -1.754 6.494 6.950 142 H GLY 25 HN GLY 25 1.345 1.557 3.007 143 HA2 GLY 25 HA2 GLY 25 2.706 0.610 0.616 144 HA3 GLY 25 HA1 GLY 25 1.085 0.179 1.122 145 H CYS 26 HN CYS 26 2.579 1.450 -1.304 146 HA CYS 26 HA CYS 26 0.908 3.798 -1.748 147 HB2 CYS 26 HB2 CYS 26 3.443 3.567 -2.304 148 HB3 CYS 26 HB1 CYS 26 2.882 2.699 -3.728 149 H CYS 27 HN CYS 27 -1.076 3.438 -2.510 150 HA CYS 27 HA CYS 27 -1.454 1.298 -4.499 151 HB2 CYS 27 HB2 CYS 27 -2.784 1.685 -2.100 152 HB3 CYS 27 HB1 CYS 27 -3.895 2.351 -3.294 153 HA PRO 28 HA PRO 28 -2.402 4.598 -7.334 154 HB2 PRO 28 HB2 PRO 28 -3.135 3.116 -9.449 155 HB3 PRO 28 HB1 PRO 28 -1.455 3.192 -8.903 156 HG2 PRO 28 HG2 PRO 28 -3.510 1.071 -8.416 157 HG3 PRO 28 HG1 PRO 28 -1.796 0.894 -8.835 158 HD2 PRO 28 HD2 PRO 28 -2.775 0.661 -6.286 159 HD3 PRO 28 HD1 PRO 28 -1.115 1.161 -6.664 160 H SER 29 HN SER 29 -4.699 2.079 -6.515 161 HA SER 29 HA SER 29 -6.968 3.001 -7.836 162 HB2 SER 29 HB2 SER 29 -6.445 1.300 -5.461 163 HB3 SER 29 HB1 SER 29 -8.072 1.965 -5.606 164 HG SER 29 HG SER 29 -8.443 0.551 -7.100 165 HA PRO 30 HA PRO 30 -8.355 6.787 -6.058 166 HB2 PRO 30 HB2 PRO 30 -10.898 5.367 -5.395 167 HB3 PRO 30 HB1 PRO 30 -10.654 6.897 -6.243 168 HG2 PRO 30 HG2 PRO 30 -11.271 4.695 -7.596 169 HG3 PRO 30 HG1 PRO 30 -10.092 5.852 -8.241 170 HD2 PRO 30 HD2 PRO 30 -9.639 3.186 -6.982 171 HD3 PRO 30 HD1 PRO 30 -8.750 3.981 -8.298 172 H LYS 31 HN LYS 31 -10.282 4.568 -4.085 173 HA LYS 31 HA LYS 31 -9.197 5.796 -1.677 174 HB2 LYS 31 HB2 LYS 31 -11.337 3.671 -1.857 175 HB3 LYS 31 HB1 LYS 31 -11.004 4.744 -0.505 176 HG2 LYS 31 HG2 LYS 31 -11.513 6.421 -2.681 177 HG3 LYS 31 HG1 LYS 31 -12.722 5.139 -2.767 178 HD2 LYS 31 HD2 LYS 31 -12.547 5.854 -0.060 179 HD3 LYS 31 HD1 LYS 31 -12.554 7.371 -0.963 180 HE2 LYS 31 HE2 LYS 31 -14.814 6.943 -0.614 181 HE3 LYS 31 HE1 LYS 31 -14.533 6.348 -2.251 182 HZ1 LYS 31 HZ1 LYS 31 -14.679 4.168 -1.577 183 HZ2 LYS 31 HZ2 LYS 31 -15.828 4.898 -0.573 184 HZ3 LYS 31 HZ3 LYS 31 -14.299 4.509 0.035 185 H ALA 32 HN ALA 32 -9.808 2.494 -2.838 186 HA ALA 32 HA ALA 32 -8.754 0.520 -2.517 187 HB1 ALA 32 HB1 ALA 32 -6.349 0.504 -2.384 188 HB2 ALA 32 HB2 ALA 32 -6.332 2.212 -1.942 189 HB3 ALA 32 HB3 ALA 32 -6.880 1.720 -3.546 190 H VAL 33 HN VAL 33 -9.181 -0.750 -0.894 191 HA VAL 33 HA VAL 33 -9.075 0.161 1.836 192 HB VAL 33 HB VAL 33 -9.572 -2.677 0.959 193 HG11 VAL 33 HG11 VAL 33 -9.249 -2.099 3.387 194 HG12 VAL 33 HG12 VAL 33 -10.780 -2.882 2.993 195 HG13 VAL 33 HG13 VAL 33 -10.726 -1.142 3.276 196 HG21 VAL 33 HG21 VAL 33 -11.030 -0.461 0.088 197 HG22 VAL 33 HG22 VAL 33 -11.984 -1.159 1.396 198 HG23 VAL 33 HG23 VAL 33 -11.520 -2.154 0.017 199 H CYS 34 HN CYS 34 -7.485 -0.152 3.267 200 HA CYS 34 HA CYS 34 -4.983 -1.212 2.423 201 HB2 CYS 34 HB2 CYS 34 -5.572 0.630 4.205 202 HB3 CYS 34 HB1 CYS 34 -5.632 -0.744 5.302 203 H CYS 35 HN CYS 35 -5.623 -3.423 1.847 204 HA CYS 35 HA CYS 35 -6.724 -5.312 3.532 205 HB2 CYS 35 HB2 CYS 35 -5.881 -5.483 1.047 206 HB3 CYS 35 HB1 CYS 35 -4.401 -6.073 1.794 207 H ASP 36 HN ASP 36 -6.170 -5.494 5.592 208 HA ASP 36 HA ASP 36 -3.370 -5.372 6.384 209 HB2 ASP 36 HB2 ASP 36 -5.957 -4.909 7.707 210 HB3 ASP 36 HB1 ASP 36 -4.735 -5.681 8.714 211 H ASP 37 HN ASP 37 -5.682 -7.803 5.692 212 HA ASP 37 HA ASP 37 -5.159 -9.758 7.570 213 HB2 ASP 37 HB2 ASP 37 -6.772 -9.803 5.557 214 HB3 ASP 37 HB1 ASP 37 -5.391 -10.383 4.630 215 H MET 38 HN MET 38 -3.340 -8.829 4.718 216 HA MET 38 HA MET 38 -1.057 -10.395 5.712 217 HB2 MET 38 HB2 MET 38 -2.293 -10.322 3.033 218 HB3 MET 38 HB1 MET 38 -0.542 -10.164 3.039 219 HG2 MET 38 HG2 MET 38 -1.893 -12.351 4.566 220 HG3 MET 38 HG1 MET 38 -1.580 -12.503 2.838 221 HE1 MET 38 HE1 MET 38 1.727 -11.422 2.451 222 HE2 MET 38 HE2 MET 38 0.421 -12.365 1.733 223 HE3 MET 38 HE3 MET 38 1.874 -13.174 2.320 224 H GLN 39 HN GLN 39 -0.777 -8.443 2.860 225 HA GLN 39 HA GLN 39 -0.061 -6.040 4.236 226 HB2 GLN 39 HB2 GLN 39 2.285 -6.062 3.154 227 HB3 GLN 39 HB1 GLN 39 2.045 -6.973 4.638 228 HG2 GLN 39 HG2 GLN 39 2.165 -9.010 3.566 229 HG3 GLN 39 HG1 GLN 39 1.733 -8.328 1.999 230 HE21 GLN 39 HE21 GLN 39 4.222 -7.556 4.408 231 HE22 GLN 39 HE22 GLN 39 5.556 -7.657 3.314 232 H HIS 40 HN HIS 40 -1.841 -5.395 2.747 233 HA HIS 40 HA HIS 40 -0.776 -4.327 0.321 234 HB2 HIS 40 HB2 HIS 40 -1.496 -6.985 0.107 235 HB3 HIS 40 HB1 HIS 40 -2.902 -6.134 -0.522 236 HD1 HIS 40 HD1 HIS 40 -2.777 -5.547 -2.919 237 HD2 HIS 40 HD2 HIS 40 0.995 -6.056 -1.254 238 HE1 HIS 40 HE1 HIS 40 -1.162 -5.309 -4.830 239 HE2 HIS 40 HE2 HIS 40 1.106 -5.730 -3.817 240 H CYS 41 HN CYS 41 -2.823 -3.953 -1.256 241 HA CYS 41 HA CYS 41 -5.045 -2.869 0.309 242 HB2 CYS 41 HB2 CYS 41 -4.935 -0.809 -1.196 243 HB3 CYS 41 HB1 CYS 41 -3.703 -0.930 0.056 244 H CYS 42 HN CYS 42 -7.010 -2.941 -0.751 245 HA CYS 42 HA CYS 42 -6.979 -4.271 -3.372 246 HB2 CYS 42 HB2 CYS 42 -8.460 -4.765 -0.946 247 HB3 CYS 42 HB1 CYS 42 -9.569 -4.443 -2.280 248 HA PRO 43 HA PRO 43 -8.670 -0.851 -5.558 249 HB2 PRO 43 HB2 PRO 43 -10.770 -2.797 -6.423 250 HB3 PRO 43 HB1 PRO 43 -9.810 -1.674 -7.395 251 HG2 PRO 43 HG2 PRO 43 -9.192 -4.253 -7.342 252 HG3 PRO 43 HG1 PRO 43 -7.917 -3.021 -7.320 253 HD2 PRO 43 HD2 PRO 43 -8.927 -4.741 -5.109 254 HD3 PRO 43 HD1 PRO 43 -7.290 -4.122 -5.403 255 H ALA 44 HN ALA 44 -9.998 0.751 -5.035 256 HA ALA 44 HA ALA 44 -11.609 0.778 -2.804 257 HB1 ALA 44 HB1 ALA 44 -12.210 2.932 -3.385 258 HB2 ALA 44 HB2 ALA 44 -12.255 2.567 -5.109 259 HB3 ALA 44 HB3 ALA 44 -10.705 2.715 -4.279 260 H GLY 45 HN GLY 45 -13.123 -0.827 -2.596 261 HA2 GLY 45 HA2 GLY 45 -15.597 -0.923 -2.892 262 HA3 GLY 45 HA1 GLY 45 -15.278 -0.834 -4.617 263 H TYR 46 HN TYR 46 -12.936 -2.710 -3.075 264 HA TYR 46 HA TYR 46 -14.472 -5.182 -3.445 265 HB2 TYR 46 HB2 TYR 46 -11.706 -4.670 -4.563 266 HB3 TYR 46 HB1 TYR 46 -12.550 -6.215 -4.597 267 HD1 TYR 46 HD1 TYR 46 -12.510 -2.790 -5.954 268 HD2 TYR 46 HD2 TYR 46 -14.264 -6.658 -6.209 269 HE1 TYR 46 HE1 TYR 46 -13.540 -2.173 -8.099 270 HE2 TYR 46 HE2 TYR 46 -15.299 -6.051 -8.356 271 HH TYR 46 HH TYR 46 -15.374 -2.827 -9.517 272 H LYS 47 HN LYS 47 -13.407 -7.075 -2.444 273 HA LYS 47 HA LYS 47 -11.737 -6.290 -0.146 274 HB2 LYS 47 HB2 LYS 47 -12.885 -7.983 1.194 275 HB3 LYS 47 HB1 LYS 47 -14.025 -6.798 0.567 276 HG2 LYS 47 HG2 LYS 47 -15.230 -8.415 -0.336 277 HG3 LYS 47 HG1 LYS 47 -13.845 -8.931 -1.301 278 HD2 LYS 47 HD2 LYS 47 -13.499 -10.722 -0.011 279 HD3 LYS 47 HD1 LYS 47 -13.627 -9.771 1.471 280 HE2 LYS 47 HE2 LYS 47 -15.844 -10.215 1.728 281 HE3 LYS 47 HE1 LYS 47 -16.135 -10.314 -0.009 282 HZ1 LYS 47 HZ1 LYS 47 -16.186 -12.442 1.476 283 HZ2 LYS 47 HZ2 LYS 47 -14.508 -12.396 1.265 284 HZ3 LYS 47 HZ3 LYS 47 -15.525 -12.498 -0.081 285 H CYS 48 HN CYS 48 -10.451 -8.075 0.778 286 HA CYS 48 HA CYS 48 -9.165 -9.564 -1.348 287 HB2 CYS 48 HB2 CYS 48 -8.436 -9.662 1.575 288 HB3 CYS 48 HB1 CYS 48 -7.402 -9.962 0.183 289 H GLY 49 HN GLY 49 -8.805 -11.841 -1.308 290 HA2 GLY 49 HA2 GLY 49 -10.666 -13.347 0.416 291 HA3 GLY 49 HA1 GLY 49 -10.617 -13.638 -1.315 292 HA PRO 50 HA PRO 50 -7.567 -16.390 1.116 293 HB2 PRO 50 HB2 PRO 50 -9.242 -18.572 0.051 294 HB3 PRO 50 HB1 PRO 50 -8.629 -18.321 1.689 295 HG2 PRO 50 HG2 PRO 50 -11.222 -17.986 1.102 296 HG3 PRO 50 HG1 PRO 50 -10.395 -16.955 2.285 297 HD2 PRO 50 HD2 PRO 50 -11.111 -16.373 -0.566 298 HD3 PRO 50 HD1 PRO 50 -11.223 -15.320 0.861 299 H GLY 51 HN GLY 51 -8.985 -16.281 -2.054 300 HA2 GLY 51 HA2 GLY 51 -7.041 -18.042 -3.260 301 HA3 GLY 51 HA1 GLY 51 -8.257 -17.094 -4.102 302 H GLY 52 HN GLY 52 -6.310 -15.372 -1.868 303 HA2 GLY 52 HA2 GLY 52 -4.694 -13.768 -2.143 304 HA3 GLY 52 HA1 GLY 52 -4.056 -14.788 -3.423 305 H THR 53 HN THR 53 -7.299 -13.762 -3.817 306 HA THR 53 HA THR 53 -6.429 -11.618 -5.642 307 HB THR 53 HB THR 53 -8.743 -12.423 -6.800 308 HG1 THR 53 HG1 THR 53 -8.092 -14.887 -6.862 309 HG21 THR 53 HG21 THR 53 -6.068 -13.676 -7.411 310 HG22 THR 53 HG22 THR 53 -6.499 -12.022 -7.842 311 HG23 THR 53 HG23 THR 53 -7.393 -13.375 -8.536 312 H CYS 54 HN CYS 54 -8.293 -10.150 -6.246 313 HA CYS 54 HA CYS 54 -9.796 -9.524 -3.805 314 HB2 CYS 54 HB2 CYS 54 -8.171 -7.880 -5.087 315 HB3 CYS 54 HB1 CYS 54 -9.589 -7.619 -6.097 316 H ILE 55 HN ILE 55 -11.917 -9.807 -3.745 317 HA ILE 55 HA ILE 55 -13.360 -10.145 -6.295 318 HB ILE 55 HB ILE 55 -15.045 -11.394 -4.761 319 HG12 ILE 55 HG12 ILE 55 -12.607 -12.100 -3.177 320 HG13 ILE 55 HG11 ILE 55 -13.519 -10.661 -2.734 321 HG21 ILE 55 HG21 ILE 55 -12.453 -12.820 -5.259 322 HG22 ILE 55 HG22 ILE 55 -13.497 -12.297 -6.580 323 HG23 ILE 55 HG23 ILE 55 -14.100 -13.441 -5.381 324 HD11 ILE 55 HD11 ILE 55 -14.414 -12.315 -1.386 325 HD12 ILE 55 HD12 ILE 55 -14.372 -13.524 -2.670 326 HD13 ILE 55 HD13 ILE 55 -15.560 -12.221 -2.722 327 H SER 56 HN SER 56 -15.781 -9.696 -6.045 328 HA SER 56 HA SER 56 -16.086 -6.998 -5.188 329 HB2 SER 56 HB2 SER 56 -18.481 -7.338 -5.868 330 HB3 SER 56 HB1 SER 56 -17.312 -7.744 -7.123 331 HG SER 56 HG SER 56 -17.538 -9.961 -6.391 Start of MODEL 10 1 H1 ASP 1 HT1 ASP 1 1.906 15.091 -5.314 2 H2 ASP 1 HT2 ASP 1 3.582 14.874 -5.376 3 H3 ASP 1 HT3 ASP 1 2.884 15.685 -4.066 4 HA ASP 1 HA ASP 1 2.658 12.812 -4.738 5 HB2 ASP 1 HB2 ASP 1 3.741 14.290 -2.326 6 HB3 ASP 1 HB1 ASP 1 3.693 12.540 -2.514 7 H VAL 2 HN VAL 2 1.741 11.730 -2.572 8 HA VAL 2 HA VAL 2 -0.712 13.178 -1.818 9 HB VAL 2 HB VAL 2 -0.571 10.205 -2.333 10 HG11 VAL 2 HG11 VAL 2 -3.060 10.420 -2.285 11 HG12 VAL 2 HG12 VAL 2 -2.851 12.080 -1.728 12 HG13 VAL 2 HG13 VAL 2 -2.271 10.739 -0.741 13 HG21 VAL 2 HG21 VAL 2 -1.830 10.633 -4.377 14 HG22 VAL 2 HG22 VAL 2 -0.270 11.453 -4.419 15 HG23 VAL 2 HG23 VAL 2 -1.739 12.369 -4.082 16 H GLN 3 HN GLN 3 -0.715 13.540 0.289 17 HA GLN 3 HA GLN 3 0.980 12.784 2.214 18 HB2 GLN 3 HB2 GLN 3 -1.940 12.836 2.899 19 HB3 GLN 3 HB1 GLN 3 -0.577 13.451 3.824 20 HG2 GLN 3 HG2 GLN 3 -0.274 15.186 2.040 21 HG3 GLN 3 HG1 GLN 3 -1.802 14.638 1.351 22 HE21 GLN 3 HE21 GLN 3 -3.509 15.745 1.953 23 HE22 GLN 3 HE22 GLN 3 -3.692 16.623 3.430 24 H CYS 4 HN CYS 4 1.775 10.820 2.542 25 HA CYS 4 HA CYS 4 -0.011 8.502 2.643 26 HB2 CYS 4 HB2 CYS 4 2.976 8.755 2.584 27 HB3 CYS 4 HB1 CYS 4 2.145 7.220 2.747 28 H GLY 5 HN GLY 5 -0.685 9.790 4.673 29 HA2 GLY 5 HA2 GLY 5 -0.811 9.972 6.975 30 HA3 GLY 5 HA1 GLY 5 -0.379 8.272 6.913 31 H GLY 6 HN GLY 6 1.855 7.702 7.044 32 HA2 GLY 6 HA2 GLY 6 3.255 9.160 9.034 33 HA3 GLY 6 HA1 GLY 6 3.877 7.782 8.137 34 H GLY 7 HN GLY 7 5.935 8.842 8.051 35 HA2 GLY 7 HA2 GLY 7 6.137 11.363 6.648 36 HA3 GLY 7 HA1 GLY 7 7.469 10.403 7.271 37 H PHE 8 HN PHE 8 5.032 9.007 5.163 38 HA PHE 8 HA PHE 8 7.130 8.673 3.135 39 HB2 PHE 8 HB2 PHE 8 4.686 7.102 3.850 40 HB3 PHE 8 HB1 PHE 8 5.359 6.976 2.229 41 HD1 PHE 8 HD1 PHE 8 6.580 6.926 5.761 42 HD2 PHE 8 HD2 PHE 8 6.826 5.262 1.851 43 HE1 PHE 8 HE1 PHE 8 8.236 5.292 6.564 44 HE2 PHE 8 HE2 PHE 8 8.479 3.623 2.648 45 HZ PHE 8 HZ PHE 8 9.186 3.637 5.007 46 H SER 9 HN SER 9 5.851 8.201 0.893 47 HA SER 9 HA SER 9 3.717 9.953 0.257 48 HB2 SER 9 HB2 SER 9 4.993 11.551 -1.164 49 HB3 SER 9 HB1 SER 9 5.376 11.709 0.550 50 HG SER 9 HG SER 9 7.291 11.693 -0.581 51 H CYS 10 HN CYS 10 3.230 9.959 -2.060 52 HA CYS 10 HA CYS 10 4.670 7.996 -3.662 53 HB2 CYS 10 HB2 CYS 10 1.923 7.646 -2.607 54 HB3 CYS 10 HB1 CYS 10 2.168 7.233 -4.301 55 H HIS 11 HN HIS 11 3.089 7.842 -5.848 56 HA HIS 11 HA HIS 11 3.401 10.485 -6.955 57 HB2 HIS 11 HB2 HIS 11 3.814 8.069 -8.013 58 HB3 HIS 11 HB1 HIS 11 2.152 8.305 -8.545 59 HD1 HIS 11 HD1 HIS 11 1.762 10.621 -9.936 60 HD2 HIS 11 HD2 HIS 11 5.669 9.244 -9.610 61 HE1 HIS 11 HE1 HIS 11 3.045 11.800 -11.750 62 HE2 HIS 11 HE2 HIS 11 5.396 10.912 -11.567 63 H ASP 12 HN ASP 12 1.692 11.329 -8.462 64 HA ASP 12 HA ASP 12 -0.600 12.011 -7.035 65 HB2 ASP 12 HB2 ASP 12 0.341 12.363 -9.822 66 HB3 ASP 12 HB1 ASP 12 -1.390 12.544 -9.556 67 H GLY 13 HN GLY 13 -2.567 11.147 -6.802 68 HA2 GLY 13 HA2 GLY 13 -4.453 9.886 -7.370 69 HA3 GLY 13 HA1 GLY 13 -3.550 9.170 -8.695 70 H GLU 14 HN GLU 14 -1.412 8.821 -6.362 71 HA GLU 14 HA GLU 14 -2.290 6.106 -5.784 72 HB2 GLU 14 HB2 GLU 14 0.296 7.327 -4.872 73 HB3 GLU 14 HB1 GLU 14 -0.067 5.635 -5.182 74 HG2 GLU 14 HG2 GLU 14 -0.032 7.719 -7.344 75 HG3 GLU 14 HG1 GLU 14 1.397 6.803 -6.866 76 H THR 15 HN THR 15 -1.778 5.255 -3.549 77 HA THR 15 HA THR 15 -2.140 7.168 -1.380 78 HB THR 15 HB THR 15 -4.086 4.883 -1.804 79 HG1 THR 15 HG1 THR 15 -4.449 6.688 -3.221 80 HG21 THR 15 HG21 THR 15 -5.217 5.672 0.142 81 HG22 THR 15 HG22 THR 15 -4.202 7.111 0.230 82 HG23 THR 15 HG23 THR 15 -3.512 5.525 0.569 83 H CYS 16 HN CYS 16 -0.830 6.514 0.299 84 HA CYS 16 HA CYS 16 0.330 3.881 0.110 85 HB2 CYS 16 HB2 CYS 16 0.860 6.066 2.129 86 HB3 CYS 16 HB1 CYS 16 1.781 4.577 1.953 87 H CYS 17 HN CYS 17 0.582 2.548 2.091 88 HA CYS 17 HA CYS 17 -1.751 2.643 3.866 89 HB2 CYS 17 HB2 CYS 17 -2.664 0.893 2.802 90 HB3 CYS 17 HB1 CYS 17 -1.225 0.657 1.813 91 HA PRO 18 HA PRO 18 1.432 1.632 6.784 92 HB2 PRO 18 HB2 PRO 18 -0.033 1.693 8.996 93 HB3 PRO 18 HB1 PRO 18 0.151 3.158 8.022 94 HG2 PRO 18 HG2 PRO 18 -2.146 1.232 8.122 95 HG3 PRO 18 HG1 PRO 18 -2.176 3.005 8.102 96 HD2 PRO 18 HD2 PRO 18 -2.522 1.393 5.862 97 HD3 PRO 18 HD1 PRO 18 -2.010 3.090 5.825 98 H THR 19 HN THR 19 0.891 -0.630 5.385 99 HA THR 19 HA THR 19 -0.342 -2.699 6.889 100 HB THR 19 HB THR 19 -0.110 -2.855 4.457 101 HG1 THR 19 HG1 THR 19 1.384 -5.025 4.926 102 HG21 THR 19 HG21 THR 19 2.698 -3.684 4.493 103 HG22 THR 19 HG22 THR 19 2.454 -1.972 4.839 104 HG23 THR 19 HG23 THR 19 1.833 -2.667 3.342 105 H SER 20 HN SER 20 2.389 -1.055 7.594 106 HA SER 20 HA SER 20 3.523 -3.355 9.033 107 HB2 SER 20 HB2 SER 20 5.030 -1.222 7.507 108 HB3 SER 20 HB1 SER 20 5.793 -2.290 8.684 109 HG SER 20 HG SER 20 6.046 -3.307 6.771 110 H GLN 21 HN GLN 21 5.557 -1.868 10.320 111 HA GLN 21 HA GLN 21 3.909 -0.354 12.208 112 HB2 GLN 21 HB2 GLN 21 6.751 -1.295 12.593 113 HB3 GLN 21 HB1 GLN 21 5.633 -0.734 13.829 114 HG2 GLN 21 HG2 GLN 21 4.210 -2.779 12.871 115 HG3 GLN 21 HG1 GLN 21 5.830 -3.360 12.493 116 HE21 GLN 21 HE21 GLN 21 5.763 -5.016 13.975 117 HE22 GLN 21 HE22 GLN 21 5.815 -4.749 15.681 118 H THR 22 HN THR 22 6.836 -0.094 10.252 119 HA THR 22 HA THR 22 6.692 2.826 10.564 120 HB THR 22 HB THR 22 9.202 2.889 10.504 121 HG1 THR 22 HG1 THR 22 8.851 0.093 10.940 122 HG21 THR 22 HG21 THR 22 9.103 1.555 12.956 123 HG22 THR 22 HG22 THR 22 7.468 2.166 12.700 124 HG23 THR 22 HG23 THR 22 8.838 3.276 12.672 125 H THR 23 HN THR 23 5.836 0.929 8.434 126 HA THR 23 HA THR 23 7.375 2.140 6.234 127 HB THR 23 HB THR 23 6.198 -0.441 5.540 128 HG1 THR 23 HG1 THR 23 8.277 -0.334 7.492 129 HG21 THR 23 HG21 THR 23 9.095 0.323 5.391 130 HG22 THR 23 HG22 THR 23 7.912 1.051 4.305 131 HG23 THR 23 HG23 THR 23 8.156 -0.695 4.299 132 H TRP 24 HN TRP 24 6.148 2.010 4.121 133 HA TRP 24 HA TRP 24 3.241 2.039 4.429 134 HB2 TRP 24 HB2 TRP 24 4.939 4.416 3.733 135 HB3 TRP 24 HB1 TRP 24 3.332 4.264 3.029 136 HD1 TRP 24 HD1 TRP 24 5.092 4.884 6.358 137 HE1 TRP 24 HE1 TRP 24 3.369 5.762 8.060 138 HE3 TRP 24 HE3 TRP 24 0.863 4.254 3.602 139 HZ2 TRP 24 HZ2 TRP 24 0.570 6.130 8.203 140 HZ3 TRP 24 HZ3 TRP 24 -1.301 4.887 4.580 141 HH2 TRP 24 HH2 TRP 24 -1.439 5.805 6.828 142 H GLY 25 HN GLY 25 2.364 0.967 2.757 143 HA2 GLY 25 HA2 GLY 25 3.998 0.451 0.386 144 HA3 GLY 25 HA1 GLY 25 2.515 -0.386 0.826 145 H CYS 26 HN CYS 26 3.354 0.934 -1.724 146 HA CYS 26 HA CYS 26 1.536 3.192 -1.908 147 HB2 CYS 26 HB2 CYS 26 3.893 2.840 -3.070 148 HB3 CYS 26 HB1 CYS 26 2.903 2.081 -4.312 149 H CYS 27 HN CYS 27 -0.475 3.078 -2.532 150 HA CYS 27 HA CYS 27 -1.453 0.641 -3.857 151 HB2 CYS 27 HB2 CYS 27 -2.742 2.627 -2.006 152 HB3 CYS 27 HB1 CYS 27 -3.736 1.639 -3.064 153 HA PRO 28 HA PRO 28 -2.111 3.262 -7.411 154 HB2 PRO 28 HB2 PRO 28 -3.178 1.436 -9.055 155 HB3 PRO 28 HB1 PRO 28 -1.473 1.376 -8.589 156 HG2 PRO 28 HG2 PRO 28 -3.783 -0.206 -7.532 157 HG3 PRO 28 HG1 PRO 28 -2.143 -0.750 -7.929 158 HD2 PRO 28 HD2 PRO 28 -2.998 -0.175 -5.383 159 HD3 PRO 28 HD1 PRO 28 -1.305 -0.083 -5.907 160 H SER 29 HN SER 29 -4.098 3.371 -5.282 161 HA SER 29 HA SER 29 -6.344 4.244 -6.868 162 HB2 SER 29 HB2 SER 29 -7.303 2.526 -4.691 163 HB3 SER 29 HB1 SER 29 -7.866 2.655 -6.358 164 HG SER 29 HG SER 29 -5.477 1.321 -5.621 165 HA PRO 30 HA PRO 30 -6.624 7.274 -3.681 166 HB2 PRO 30 HB2 PRO 30 -9.318 7.739 -3.586 167 HB3 PRO 30 HB1 PRO 30 -8.259 8.362 -4.855 168 HG2 PRO 30 HG2 PRO 30 -10.038 5.955 -4.885 169 HG3 PRO 30 HG1 PRO 30 -9.781 7.174 -6.149 170 HD2 PRO 30 HD2 PRO 30 -8.593 4.762 -6.241 171 HD3 PRO 30 HD1 PRO 30 -7.780 6.228 -6.828 172 H LYS 31 HN LYS 31 -9.811 6.023 -2.982 173 HA LYS 31 HA LYS 31 -9.033 5.550 -0.241 174 HB2 LYS 31 HB2 LYS 31 -11.463 6.149 -1.637 175 HB3 LYS 31 HB1 LYS 31 -11.699 4.695 -0.675 176 HG2 LYS 31 HG2 LYS 31 -10.738 5.985 1.274 177 HG3 LYS 31 HG1 LYS 31 -10.882 7.427 0.266 178 HD2 LYS 31 HD2 LYS 31 -13.257 5.655 0.567 179 HD3 LYS 31 HD1 LYS 31 -12.811 6.703 1.916 180 HE2 LYS 31 HE2 LYS 31 -13.361 7.581 -0.918 181 HE3 LYS 31 HE1 LYS 31 -14.440 7.789 0.460 182 HZ1 LYS 31 HZ1 LYS 31 -12.519 9.072 1.492 183 HZ2 LYS 31 HZ2 LYS 31 -13.362 9.826 0.235 184 HZ3 LYS 31 HZ3 LYS 31 -11.854 9.121 -0.063 185 H ALA 32 HN ALA 32 -7.636 3.806 -1.715 186 HA ALA 32 HA ALA 32 -8.820 1.316 -2.252 187 HB1 ALA 32 HB1 ALA 32 -5.962 1.815 -1.436 188 HB2 ALA 32 HB2 ALA 32 -6.593 2.064 -3.064 189 HB3 ALA 32 HB3 ALA 32 -6.586 0.448 -2.358 190 H VAL 33 HN VAL 33 -8.217 -0.720 -1.079 191 HA VAL 33 HA VAL 33 -8.414 -0.359 1.839 192 HB VAL 33 HB VAL 33 -9.387 -2.911 0.745 193 HG11 VAL 33 HG11 VAL 33 -10.183 -2.905 2.820 194 HG12 VAL 33 HG12 VAL 33 -11.333 -1.666 2.317 195 HG13 VAL 33 HG13 VAL 33 -9.786 -1.199 3.023 196 HG21 VAL 33 HG21 VAL 33 -10.409 -1.802 -0.995 197 HG22 VAL 33 HG22 VAL 33 -10.613 -0.315 -0.070 198 HG23 VAL 33 HG23 VAL 33 -11.653 -1.704 0.252 199 H CYS 34 HN CYS 34 -6.351 -0.735 2.503 200 HA CYS 34 HA CYS 34 -4.576 -2.505 1.235 201 HB2 CYS 34 HB2 CYS 34 -4.066 -0.551 2.871 202 HB3 CYS 34 HB1 CYS 34 -4.277 -1.772 4.124 203 H CYS 35 HN CYS 35 -4.843 -4.641 1.093 204 HA CYS 35 HA CYS 35 -6.403 -6.220 2.801 205 HB2 CYS 35 HB2 CYS 35 -4.879 -6.643 0.480 206 HB3 CYS 35 HB1 CYS 35 -4.201 -7.733 1.684 207 H ASP 36 HN ASP 36 -6.105 -6.572 4.859 208 HA ASP 36 HA ASP 36 -3.439 -6.347 6.019 209 HB2 ASP 36 HB2 ASP 36 -5.776 -5.293 6.834 210 HB3 ASP 36 HB1 ASP 36 -5.778 -6.782 7.775 211 H ASP 37 HN ASP 37 -5.572 -8.882 5.087 212 HA ASP 37 HA ASP 37 -5.205 -10.751 7.096 213 HB2 ASP 37 HB2 ASP 37 -6.025 -10.764 4.321 214 HB3 ASP 37 HB1 ASP 37 -5.041 -12.180 4.680 215 H MET 38 HN MET 38 -3.131 -9.902 4.385 216 HA MET 38 HA MET 38 -0.889 -11.218 5.744 217 HB2 MET 38 HB2 MET 38 -1.254 -11.270 2.746 218 HB3 MET 38 HB1 MET 38 -0.042 -12.122 3.694 219 HG2 MET 38 HG2 MET 38 -2.677 -12.849 4.567 220 HG3 MET 38 HG1 MET 38 -2.520 -13.075 2.826 221 HE1 MET 38 HE1 MET 38 -2.979 -14.712 5.450 222 HE2 MET 38 HE2 MET 38 -1.515 -15.284 6.249 223 HE3 MET 38 HE3 MET 38 -2.311 -16.292 5.041 224 H GLN 39 HN GLN 39 -0.698 -9.752 2.571 225 HA GLN 39 HA GLN 39 0.035 -7.161 3.564 226 HB2 GLN 39 HB2 GLN 39 2.078 -9.135 3.137 227 HB3 GLN 39 HB1 GLN 39 2.253 -7.857 1.943 228 HG2 GLN 39 HG2 GLN 39 3.042 -6.424 3.444 229 HG3 GLN 39 HG1 GLN 39 1.774 -6.813 4.605 230 HE21 GLN 39 HE21 GLN 39 3.872 -6.368 5.897 231 HE22 GLN 39 HE22 GLN 39 4.775 -7.775 6.334 232 H HIS 40 HN HIS 40 -1.806 -6.669 2.149 233 HA HIS 40 HA HIS 40 -0.887 -6.317 -0.600 234 HB2 HIS 40 HB2 HIS 40 -2.304 -8.571 -0.075 235 HB3 HIS 40 HB1 HIS 40 -3.596 -7.461 -0.520 236 HD1 HIS 40 HD1 HIS 40 -3.629 -6.595 -2.962 237 HD2 HIS 40 HD2 HIS 40 -0.608 -9.333 -2.159 238 HE1 HIS 40 HE1 HIS 40 -2.749 -7.303 -5.209 239 HE2 HIS 40 HE2 HIS 40 -0.968 -9.012 -4.700 240 H CYS 41 HN CYS 41 -2.992 -5.522 -1.926 241 HA CYS 41 HA CYS 41 -4.418 -3.489 -0.394 242 HB2 CYS 41 HB2 CYS 41 -2.326 -2.440 -1.233 243 HB3 CYS 41 HB1 CYS 41 -2.811 -2.850 -2.873 244 H CYS 42 HN CYS 42 -6.333 -2.737 -1.381 245 HA CYS 42 HA CYS 42 -7.164 -4.228 -3.781 246 HB2 CYS 42 HB2 CYS 42 -8.618 -3.825 -1.183 247 HB3 CYS 42 HB1 CYS 42 -9.513 -4.089 -2.674 248 HA PRO 43 HA PRO 43 -7.928 -0.220 -5.541 249 HB2 PRO 43 HB2 PRO 43 -10.089 -1.693 -6.977 250 HB3 PRO 43 HB1 PRO 43 -8.814 -0.652 -7.623 251 HG2 PRO 43 HG2 PRO 43 -8.608 -3.276 -7.872 252 HG3 PRO 43 HG1 PRO 43 -7.186 -2.308 -7.432 253 HD2 PRO 43 HD2 PRO 43 -8.928 -4.010 -5.688 254 HD3 PRO 43 HD1 PRO 43 -7.162 -3.823 -5.677 255 H ALA 44 HN ALA 44 -9.187 1.456 -5.028 256 HA ALA 44 HA ALA 44 -11.016 1.469 -3.005 257 HB1 ALA 44 HB1 ALA 44 -11.707 3.475 -4.983 258 HB2 ALA 44 HB2 ALA 44 -9.966 3.364 -4.723 259 HB3 ALA 44 HB3 ALA 44 -11.044 3.667 -3.360 260 H GLY 45 HN GLY 45 -12.753 0.196 -2.867 261 HA2 GLY 45 HA2 GLY 45 -15.148 0.178 -3.448 262 HA3 GLY 45 HA1 GLY 45 -14.649 0.221 -5.134 263 H TYR 46 HN TYR 46 -12.519 -1.701 -3.480 264 HA TYR 46 HA TYR 46 -14.021 -4.135 -4.184 265 HB2 TYR 46 HB2 TYR 46 -11.090 -3.481 -4.402 266 HB3 TYR 46 HB1 TYR 46 -11.656 -5.146 -4.368 267 HD1 TYR 46 HD1 TYR 46 -12.144 -6.189 -6.372 268 HD2 TYR 46 HD2 TYR 46 -12.285 -1.941 -6.184 269 HE1 TYR 46 HE1 TYR 46 -12.563 -6.103 -8.793 270 HE2 TYR 46 HE2 TYR 46 -12.705 -1.843 -8.605 271 HH TYR 46 HH TYR 46 -13.309 -3.079 -10.422 272 H LYS 47 HN LYS 47 -13.226 -6.104 -2.957 273 HA LYS 47 HA LYS 47 -12.567 -5.398 -0.178 274 HB2 LYS 47 HB2 LYS 47 -14.139 -7.047 0.636 275 HB3 LYS 47 HB1 LYS 47 -14.978 -5.909 -0.411 276 HG2 LYS 47 HG2 LYS 47 -15.645 -7.533 -1.765 277 HG3 LYS 47 HG1 LYS 47 -14.005 -8.168 -1.915 278 HD2 LYS 47 HD2 LYS 47 -14.601 -9.915 -0.677 279 HD3 LYS 47 HD1 LYS 47 -14.905 -8.826 0.677 280 HE2 LYS 47 HE2 LYS 47 -17.160 -8.777 0.311 281 HE3 LYS 47 HE1 LYS 47 -16.994 -9.061 -1.422 282 HZ1 LYS 47 HZ1 LYS 47 -16.059 -11.298 0.044 283 HZ2 LYS 47 HZ2 LYS 47 -17.295 -11.220 -1.109 284 HZ3 LYS 47 HZ3 LYS 47 -17.637 -10.915 0.519 285 H CYS 48 HN CYS 48 -11.613 -7.134 1.068 286 HA CYS 48 HA CYS 48 -9.721 -8.637 -0.525 287 HB2 CYS 48 HB2 CYS 48 -10.034 -8.056 2.401 288 HB3 CYS 48 HB1 CYS 48 -8.963 -9.349 1.873 289 H GLY 49 HN GLY 49 -9.511 -10.859 -0.598 290 HA2 GLY 49 HA2 GLY 49 -11.460 -12.506 0.821 291 HA3 GLY 49 HA1 GLY 49 -11.541 -12.523 -0.934 292 HA PRO 50 HA PRO 50 -8.479 -15.747 0.700 293 HB2 PRO 50 HB2 PRO 50 -9.688 -17.897 -0.471 294 HB3 PRO 50 HB1 PRO 50 -10.039 -17.356 1.175 295 HG2 PRO 50 HG2 PRO 50 -11.552 -16.835 -1.357 296 HG3 PRO 50 HG1 PRO 50 -12.171 -17.253 0.252 297 HD2 PRO 50 HD2 PRO 50 -12.198 -14.724 -0.677 298 HD3 PRO 50 HD1 PRO 50 -11.939 -15.092 1.041 299 H GLY 51 HN GLY 51 -6.797 -16.517 -0.508 300 HA2 GLY 51 HA2 GLY 51 -5.760 -17.300 -2.487 301 HA3 GLY 51 HA1 GLY 51 -7.076 -16.610 -3.424 302 H GLY 52 HN GLY 52 -5.873 -14.538 -1.011 303 HA2 GLY 52 HA2 GLY 52 -4.726 -12.555 -1.124 304 HA3 GLY 52 HA1 GLY 52 -3.607 -13.423 -2.162 305 H THR 53 HN THR 53 -7.007 -12.694 -2.813 306 HA THR 53 HA THR 53 -6.152 -10.815 -4.907 307 HB THR 53 HB THR 53 -8.086 -11.787 -6.302 308 HG1 THR 53 HG1 THR 53 -7.931 -14.266 -5.597 309 HG21 THR 53 HG21 THR 53 -6.632 -13.475 -7.298 310 HG22 THR 53 HG22 THR 53 -5.611 -13.463 -5.860 311 HG23 THR 53 HG23 THR 53 -5.709 -12.030 -6.884 312 H CYS 54 HN CYS 54 -7.841 -9.365 -5.647 313 HA CYS 54 HA CYS 54 -9.723 -8.728 -3.486 314 HB2 CYS 54 HB2 CYS 54 -8.743 -7.006 -5.774 315 HB3 CYS 54 HB1 CYS 54 -9.817 -6.479 -4.484 316 H ILE 55 HN ILE 55 -11.896 -8.596 -3.822 317 HA ILE 55 HA ILE 55 -12.865 -9.199 -6.543 318 HB ILE 55 HB ILE 55 -14.849 -10.230 -5.023 319 HG12 ILE 55 HG12 ILE 55 -12.323 -11.067 -3.596 320 HG13 ILE 55 HG11 ILE 55 -13.393 -9.813 -2.980 321 HG21 ILE 55 HG21 ILE 55 -12.871 -11.162 -6.782 322 HG22 ILE 55 HG22 ILE 55 -14.370 -11.967 -6.317 323 HG23 ILE 55 HG23 ILE 55 -12.885 -12.280 -5.418 324 HD11 ILE 55 HD11 ILE 55 -13.555 -12.488 -2.425 325 HD12 ILE 55 HD12 ILE 55 -14.797 -12.265 -3.657 326 HD13 ILE 55 HD13 ILE 55 -14.837 -11.301 -2.181 327 H SER 56 HN SER 56 -15.339 -8.786 -6.655 328 HA SER 56 HA SER 56 -17.021 -7.266 -6.707 329 HB2 SER 56 HB2 SER 56 -16.032 -7.024 -3.894 330 HB3 SER 56 HB1 SER 56 -17.218 -5.859 -4.482 331 HG SER 56 HG SER 56 -18.545 -7.662 -5.049 Start of MODEL 11 1 H1 ASP 1 HT1 ASP 1 5.655 15.713 -2.329 2 H2 ASP 1 HT2 ASP 1 4.393 16.637 -2.973 3 H3 ASP 1 HT3 ASP 1 5.490 15.870 -4.007 4 HA ASP 1 HA ASP 1 3.632 14.516 -4.108 5 HB2 ASP 1 HB2 ASP 1 5.627 13.513 -2.076 6 HB3 ASP 1 HB1 ASP 1 4.338 12.494 -2.708 7 H VAL 2 HN VAL 2 2.560 12.730 -2.353 8 HA VAL 2 HA VAL 2 0.885 14.469 -0.711 9 HB VAL 2 HB VAL 2 0.506 11.534 -1.318 10 HG11 VAL 2 HG11 VAL 2 -0.770 13.264 0.505 11 HG12 VAL 2 HG12 VAL 2 -1.227 11.618 0.066 12 HG13 VAL 2 HG13 VAL 2 -1.902 12.987 -0.817 13 HG21 VAL 2 HG21 VAL 2 -1.399 12.831 -2.759 14 HG22 VAL 2 HG22 VAL 2 0.134 12.253 -3.415 15 HG23 VAL 2 HG23 VAL 2 -0.034 13.936 -2.915 16 H GLN 3 HN GLN 3 0.853 14.441 1.460 17 HA GLN 3 HA GLN 3 2.959 13.205 2.895 18 HB2 GLN 3 HB2 GLN 3 1.005 15.190 3.385 19 HB3 GLN 3 HB1 GLN 3 0.805 13.968 4.635 20 HG2 GLN 3 HG2 GLN 3 2.404 15.078 5.713 21 HG3 GLN 3 HG1 GLN 3 3.512 14.286 4.593 22 HE21 GLN 3 HE21 GLN 3 1.224 16.967 4.209 23 HE22 GLN 3 HE22 GLN 3 2.388 18.107 3.635 24 H CYS 4 HN CYS 4 2.979 11.017 2.865 25 HA CYS 4 HA CYS 4 0.737 9.340 2.990 26 HB2 CYS 4 HB2 CYS 4 3.669 8.975 3.395 27 HB3 CYS 4 HB1 CYS 4 2.591 7.681 3.901 28 H GLY 5 HN GLY 5 2.856 10.580 5.533 29 HA2 GLY 5 HA2 GLY 5 2.159 11.003 7.752 30 HA3 GLY 5 HA1 GLY 5 0.781 9.938 7.495 31 H GLY 6 HN GLY 6 4.325 9.777 7.490 32 HA2 GLY 6 HA2 GLY 6 4.751 8.121 9.610 33 HA3 GLY 6 HA1 GLY 6 4.327 7.015 8.309 34 H GLY 7 HN GLY 7 5.709 9.567 6.815 35 HA2 GLY 7 HA2 GLY 7 8.104 10.123 6.752 36 HA3 GLY 7 HA1 GLY 7 8.420 8.424 7.063 37 H PHE 8 HN PHE 8 5.906 8.247 5.020 38 HA PHE 8 HA PHE 8 7.705 8.148 2.693 39 HB2 PHE 8 HB2 PHE 8 5.411 6.481 3.582 40 HB3 PHE 8 HB1 PHE 8 5.640 6.689 1.850 41 HD1 PHE 8 HD1 PHE 8 7.277 5.471 0.700 42 HD2 PHE 8 HD2 PHE 8 7.320 5.567 4.954 43 HE1 PHE 8 HE1 PHE 8 8.995 3.709 0.719 44 HE2 PHE 8 HE2 PHE 8 9.038 3.807 4.982 45 HZ PHE 8 HZ PHE 8 9.877 2.876 2.862 46 H SER 9 HN SER 9 6.198 8.142 0.586 47 HA SER 9 HA SER 9 4.091 10.095 0.614 48 HB2 SER 9 HB2 SER 9 5.680 11.331 -1.255 49 HB3 SER 9 HB1 SER 9 5.458 11.886 0.404 50 HG SER 9 HG SER 9 7.648 11.709 -0.004 51 H CYS 10 HN CYS 10 3.026 10.266 -1.452 52 HA CYS 10 HA CYS 10 3.925 8.340 -3.475 53 HB2 CYS 10 HB2 CYS 10 1.372 8.288 -1.946 54 HB3 CYS 10 HB1 CYS 10 1.306 7.862 -3.654 55 H HIS 11 HN HIS 11 2.116 8.451 -5.316 56 HA HIS 11 HA HIS 11 2.391 11.113 -6.381 57 HB2 HIS 11 HB2 HIS 11 1.687 8.462 -7.441 58 HB3 HIS 11 HB1 HIS 11 0.858 9.802 -8.226 59 HD1 HIS 11 HD1 HIS 11 2.887 11.897 -8.582 60 HD2 HIS 11 HD2 HIS 11 3.861 7.872 -8.921 61 HE1 HIS 11 HE1 HIS 11 4.993 11.828 -9.954 62 HE2 HIS 11 HE2 HIS 11 5.603 9.387 -10.085 63 H ASP 12 HN ASP 12 0.756 12.463 -7.114 64 HA ASP 12 HA ASP 12 -1.398 12.753 -5.338 65 HB2 ASP 12 HB2 ASP 12 -2.005 14.700 -6.617 66 HB3 ASP 12 HB1 ASP 12 -0.249 14.627 -6.501 67 H GLY 13 HN GLY 13 -1.481 10.224 -6.926 68 HA2 GLY 13 HA2 GLY 13 -4.299 10.402 -7.584 69 HA3 GLY 13 HA1 GLY 13 -3.207 9.840 -8.851 70 H GLU 14 HN GLU 14 -2.387 9.249 -5.596 71 HA GLU 14 HA GLU 14 -3.378 6.475 -5.719 72 HB2 GLU 14 HB2 GLU 14 -0.784 6.663 -4.409 73 HB3 GLU 14 HB1 GLU 14 -1.344 5.531 -5.628 74 HG2 GLU 14 HG2 GLU 14 -0.721 8.279 -6.523 75 HG3 GLU 14 HG1 GLU 14 0.631 7.249 -6.055 76 H THR 15 HN THR 15 -2.446 5.472 -3.401 77 HA THR 15 HA THR 15 -3.169 7.341 -1.266 78 HB THR 15 HB THR 15 -4.439 4.609 -1.573 79 HG1 THR 15 HG1 THR 15 -6.293 6.420 -1.492 80 HG21 THR 15 HG21 THR 15 -5.071 6.751 0.454 81 HG22 THR 15 HG22 THR 15 -3.963 5.418 0.774 82 HG23 THR 15 HG23 THR 15 -5.658 5.088 0.415 83 H CYS 16 HN CYS 16 -2.185 6.919 0.692 84 HA CYS 16 HA CYS 16 0.045 5.065 0.593 85 HB2 CYS 16 HB2 CYS 16 -0.750 7.017 2.759 86 HB3 CYS 16 HB1 CYS 16 0.785 6.156 2.645 87 H CYS 17 HN CYS 17 0.133 3.141 1.579 88 HA CYS 17 HA CYS 17 -2.034 2.449 3.447 89 HB2 CYS 17 HB2 CYS 17 -1.248 1.232 0.999 90 HB3 CYS 17 HB1 CYS 17 -0.864 0.115 2.303 91 HA PRO 18 HA PRO 18 1.392 1.582 6.187 92 HB2 PRO 18 HB2 PRO 18 -0.017 1.278 8.427 93 HB3 PRO 18 HB1 PRO 18 0.101 2.858 7.646 94 HG2 PRO 18 HG2 PRO 18 -2.153 0.901 7.627 95 HG3 PRO 18 HG1 PRO 18 -2.203 2.671 7.691 96 HD2 PRO 18 HD2 PRO 18 -2.548 1.103 5.397 97 HD3 PRO 18 HD1 PRO 18 -2.207 2.837 5.425 98 H THR 19 HN THR 19 2.305 -0.390 5.741 99 HA THR 19 HA THR 19 0.748 -2.820 6.102 100 HB THR 19 HB THR 19 2.748 -3.970 5.189 101 HG1 THR 19 HG1 THR 19 4.575 -2.917 5.163 102 HG21 THR 19 HG21 THR 19 2.085 -1.665 3.385 103 HG22 THR 19 HG22 THR 19 0.876 -2.884 3.786 104 HG23 THR 19 HG23 THR 19 2.366 -3.355 2.968 105 H SER 20 HN SER 20 2.676 -0.888 8.049 106 HA SER 20 HA SER 20 2.888 -3.001 10.014 107 HB2 SER 20 HB2 SER 20 5.438 -1.645 9.975 108 HB3 SER 20 HB1 SER 20 5.095 -3.373 9.898 109 HG SER 20 HG SER 20 6.161 -2.719 8.024 110 H GLN 21 HN GLN 21 4.908 -0.159 10.064 111 HA GLN 21 HA GLN 21 3.095 1.575 11.386 112 HB2 GLN 21 HB2 GLN 21 3.936 1.511 13.625 113 HB3 GLN 21 HB1 GLN 21 3.504 -0.134 13.180 114 HG2 GLN 21 HG2 GLN 21 5.984 -0.391 12.555 115 HG3 GLN 21 HG1 GLN 21 6.220 1.075 13.508 116 HE21 GLN 21 HE21 GLN 21 7.260 -1.550 14.028 117 HE22 GLN 21 HE22 GLN 21 6.641 -2.045 15.563 118 H THR 22 HN THR 22 6.131 0.694 10.156 119 HA THR 22 HA THR 22 7.029 3.498 10.258 120 HB THR 22 HB THR 22 9.341 2.782 10.415 121 HG1 THR 22 HG1 THR 22 9.765 0.824 9.746 122 HG21 THR 22 HG21 THR 22 8.678 1.144 12.620 123 HG22 THR 22 HG22 THR 22 7.391 2.340 12.460 124 HG23 THR 22 HG23 THR 22 9.066 2.865 12.624 125 H THR 23 HN THR 23 6.013 0.986 8.392 126 HA THR 23 HA THR 23 7.536 1.893 6.037 127 HB THR 23 HB THR 23 6.030 -0.644 5.840 128 HG1 THR 23 HG1 THR 23 7.036 -0.701 7.972 129 HG21 THR 23 HG21 THR 23 7.316 -0.100 3.962 130 HG22 THR 23 HG22 THR 23 8.299 -1.290 4.815 131 HG23 THR 23 HG23 THR 23 8.688 0.426 4.939 132 H TRP 24 HN TRP 24 6.397 2.224 4.084 133 HA TRP 24 HA TRP 24 3.476 2.208 4.231 134 HB2 TRP 24 HB2 TRP 24 5.207 4.624 3.832 135 HB3 TRP 24 HB1 TRP 24 3.615 4.549 3.083 136 HD1 TRP 24 HD1 TRP 24 5.315 4.964 6.456 137 HE1 TRP 24 HE1 TRP 24 3.544 5.619 8.209 138 HE3 TRP 24 HE3 TRP 24 1.127 4.277 3.646 139 HZ2 TRP 24 HZ2 TRP 24 0.726 5.812 8.367 140 HZ3 TRP 24 HZ3 TRP 24 -1.076 4.704 4.661 141 HH2 TRP 24 HH2 TRP 24 -1.265 5.463 6.972 142 H GLY 25 HN GLY 25 2.612 1.404 2.436 143 HA2 GLY 25 HA2 GLY 25 4.311 1.222 0.036 144 HA3 GLY 25 HA1 GLY 25 2.978 0.142 0.418 145 H CYS 26 HN CYS 26 3.423 1.628 -2.039 146 HA CYS 26 HA CYS 26 1.402 3.721 -1.997 147 HB2 CYS 26 HB2 CYS 26 3.716 3.484 -3.399 148 HB3 CYS 26 HB1 CYS 26 2.555 2.899 -4.586 149 H CYS 27 HN CYS 27 -0.647 3.422 -2.509 150 HA CYS 27 HA CYS 27 -1.427 0.918 -3.844 151 HB2 CYS 27 HB2 CYS 27 -2.861 2.691 -1.873 152 HB3 CYS 27 HB1 CYS 27 -3.723 1.501 -2.841 153 HA PRO 28 HA PRO 28 -2.573 3.634 -7.218 154 HB2 PRO 28 HB2 PRO 28 -3.391 1.280 -8.682 155 HB3 PRO 28 HB1 PRO 28 -1.971 2.295 -8.934 156 HG2 PRO 28 HG2 PRO 28 -1.851 -0.285 -8.033 157 HG3 PRO 28 HG1 PRO 28 -0.625 0.943 -7.675 158 HD2 PRO 28 HD2 PRO 28 -2.877 -0.043 -5.965 159 HD3 PRO 28 HD1 PRO 28 -1.203 0.349 -5.511 160 H SER 29 HN SER 29 -4.471 3.561 -5.224 161 HA SER 29 HA SER 29 -6.876 3.864 -6.715 162 HB2 SER 29 HB2 SER 29 -6.409 1.270 -5.689 163 HB3 SER 29 HB1 SER 29 -7.639 2.003 -4.658 164 HG SER 29 HG SER 29 -8.636 1.021 -6.412 165 HA PRO 30 HA PRO 30 -7.439 6.778 -3.434 166 HB2 PRO 30 HB2 PRO 30 -10.160 7.120 -3.643 167 HB3 PRO 30 HB1 PRO 30 -8.975 7.902 -4.694 168 HG2 PRO 30 HG2 PRO 30 -10.620 5.455 -5.185 169 HG3 PRO 30 HG1 PRO 30 -10.224 6.781 -6.294 170 HD2 PRO 30 HD2 PRO 30 -8.951 4.414 -6.403 171 HD3 PRO 30 HD1 PRO 30 -8.115 5.943 -6.744 172 H LYS 31 HN LYS 31 -10.602 5.271 -3.265 173 HA LYS 31 HA LYS 31 -10.185 4.701 -0.458 174 HB2 LYS 31 HB2 LYS 31 -12.640 3.883 -0.696 175 HB3 LYS 31 HB1 LYS 31 -12.299 5.604 -0.803 176 HG2 LYS 31 HG2 LYS 31 -12.097 4.885 -3.404 177 HG3 LYS 31 HG1 LYS 31 -13.316 3.747 -2.831 178 HD2 LYS 31 HD2 LYS 31 -14.866 5.358 -2.544 179 HD3 LYS 31 HD1 LYS 31 -13.687 6.519 -1.930 180 HE2 LYS 31 HE2 LYS 31 -12.863 6.688 -4.342 181 HE3 LYS 31 HE1 LYS 31 -14.352 5.853 -4.784 182 HZ1 LYS 31 HZ1 LYS 31 -15.002 7.957 -3.056 183 HZ2 LYS 31 HZ2 LYS 31 -15.414 7.777 -4.686 184 HZ3 LYS 31 HZ3 LYS 31 -13.986 8.577 -4.258 185 H ALA 32 HN ALA 32 -8.453 3.136 -1.568 186 HA ALA 32 HA ALA 32 -9.471 0.581 -2.389 187 HB1 ALA 32 HB1 ALA 32 -6.794 0.285 -1.620 188 HB2 ALA 32 HB2 ALA 32 -6.924 1.905 -2.303 189 HB3 ALA 32 HB3 ALA 32 -7.427 0.506 -3.250 190 H VAL 33 HN VAL 33 -8.765 -1.438 -1.248 191 HA VAL 33 HA VAL 33 -9.175 -1.144 1.650 192 HB VAL 33 HB VAL 33 -9.535 -3.745 0.205 193 HG11 VAL 33 HG11 VAL 33 -10.938 -4.302 2.011 194 HG12 VAL 33 HG12 VAL 33 -11.089 -2.620 2.518 195 HG13 VAL 33 HG13 VAL 33 -9.560 -3.472 2.732 196 HG21 VAL 33 HG21 VAL 33 -11.165 -2.913 -1.065 197 HG22 VAL 33 HG22 VAL 33 -11.091 -1.349 -0.251 198 HG23 VAL 33 HG23 VAL 33 -12.080 -2.647 0.418 199 H CYS 34 HN CYS 34 -7.273 -1.205 2.664 200 HA CYS 34 HA CYS 34 -4.944 -2.410 1.621 201 HB2 CYS 34 HB2 CYS 34 -5.459 -0.592 3.591 202 HB3 CYS 34 HB1 CYS 34 -5.023 -2.008 4.539 203 H CYS 35 HN CYS 35 -5.150 -4.590 1.195 204 HA CYS 35 HA CYS 35 -6.374 -6.512 2.787 205 HB2 CYS 35 HB2 CYS 35 -5.011 -6.567 0.417 206 HB3 CYS 35 HB1 CYS 35 -3.883 -7.402 1.479 207 H ASP 36 HN ASP 36 -6.039 -6.801 4.854 208 HA ASP 36 HA ASP 36 -3.392 -6.366 5.999 209 HB2 ASP 36 HB2 ASP 36 -5.401 -5.252 6.973 210 HB3 ASP 36 HB1 ASP 36 -5.999 -6.841 7.444 211 H ASP 37 HN ASP 37 -5.386 -9.057 5.108 212 HA ASP 37 HA ASP 37 -4.752 -10.914 7.066 213 HB2 ASP 37 HB2 ASP 37 -5.306 -11.128 4.123 214 HB3 ASP 37 HB1 ASP 37 -4.804 -12.557 5.023 215 H MET 38 HN MET 38 -2.939 -9.852 4.257 216 HA MET 38 HA MET 38 -0.522 -11.065 5.408 217 HB2 MET 38 HB2 MET 38 -1.204 -10.905 2.462 218 HB3 MET 38 HB1 MET 38 0.291 -11.535 3.138 219 HG2 MET 38 HG2 MET 38 -0.640 -13.500 3.733 220 HG3 MET 38 HG1 MET 38 -2.201 -12.773 4.110 221 HE1 MET 38 HE1 MET 38 -3.831 -12.261 0.713 222 HE2 MET 38 HE2 MET 38 -3.507 -11.567 2.301 223 HE3 MET 38 HE3 MET 38 -4.375 -13.096 2.168 224 H GLN 39 HN GLN 39 -0.407 -9.354 2.396 225 HA GLN 39 HA GLN 39 0.019 -6.768 3.574 226 HB2 GLN 39 HB2 GLN 39 2.219 -8.007 3.866 227 HB3 GLN 39 HB1 GLN 39 2.343 -8.026 2.113 228 HG2 GLN 39 HG2 GLN 39 2.943 -5.873 2.002 229 HG3 GLN 39 HG1 GLN 39 1.813 -5.387 3.265 230 HE21 GLN 39 HE21 GLN 39 2.635 -6.927 5.365 231 HE22 GLN 39 HE22 GLN 39 4.232 -6.469 5.838 232 H HIS 40 HN HIS 40 -1.795 -6.355 2.096 233 HA HIS 40 HA HIS 40 -0.783 -5.733 -0.567 234 HB2 HIS 40 HB2 HIS 40 -2.371 -8.079 -0.061 235 HB3 HIS 40 HB1 HIS 40 -3.219 -6.988 -1.154 236 HD1 HIS 40 HD1 HIS 40 -1.997 -6.427 -3.426 237 HD2 HIS 40 HD2 HIS 40 -0.220 -9.414 -1.150 238 HE1 HIS 40 HE1 HIS 40 -0.395 -7.590 -4.977 239 HE2 HIS 40 HE2 HIS 40 0.741 -9.327 -3.551 240 H CYS 41 HN CYS 41 -2.846 -5.110 -1.989 241 HA CYS 41 HA CYS 41 -4.619 -3.335 -0.474 242 HB2 CYS 41 HB2 CYS 41 -2.370 -2.357 -1.706 243 HB3 CYS 41 HB1 CYS 41 -3.574 -2.183 -2.977 244 H CYS 42 HN CYS 42 -6.608 -2.950 -1.498 245 HA CYS 42 HA CYS 42 -7.066 -4.485 -3.973 246 HB2 CYS 42 HB2 CYS 42 -8.490 -4.523 -1.397 247 HB3 CYS 42 HB1 CYS 42 -9.536 -4.402 -2.806 248 HA PRO 43 HA PRO 43 -8.148 -0.575 -5.796 249 HB2 PRO 43 HB2 PRO 43 -9.925 -2.348 -7.417 250 HB3 PRO 43 HB1 PRO 43 -8.800 -1.092 -7.949 251 HG2 PRO 43 HG2 PRO 43 -8.125 -3.637 -8.187 252 HG3 PRO 43 HG1 PRO 43 -6.933 -2.446 -7.628 253 HD2 PRO 43 HD2 PRO 43 -8.467 -4.473 -6.053 254 HD3 PRO 43 HD1 PRO 43 -6.782 -3.939 -5.868 255 H ALA 44 HN ALA 44 -9.630 0.896 -5.324 256 HA ALA 44 HA ALA 44 -11.629 0.610 -3.498 257 HB1 ALA 44 HB1 ALA 44 -12.648 2.684 -4.608 258 HB2 ALA 44 HB2 ALA 44 -11.298 2.579 -5.737 259 HB3 ALA 44 HB3 ALA 44 -10.992 2.797 -4.014 260 H GLY 45 HN GLY 45 -13.222 -0.844 -3.551 261 HA2 GLY 45 HA2 GLY 45 -15.548 -1.004 -4.453 262 HA3 GLY 45 HA1 GLY 45 -14.799 -1.056 -6.041 263 H TYR 46 HN TYR 46 -12.703 -2.751 -4.236 264 HA TYR 46 HA TYR 46 -14.185 -5.277 -4.550 265 HB2 TYR 46 HB2 TYR 46 -11.248 -4.821 -5.127 266 HB3 TYR 46 HB1 TYR 46 -12.100 -6.356 -5.259 267 HD1 TYR 46 HD1 TYR 46 -10.815 -3.754 -7.112 268 HD2 TYR 46 HD2 TYR 46 -14.342 -6.111 -6.794 269 HE1 TYR 46 HE1 TYR 46 -11.364 -3.236 -9.452 270 HE2 TYR 46 HE2 TYR 46 -14.901 -5.602 -9.134 271 HH TYR 46 HH TYR 46 -13.795 -4.895 -11.179 272 H LYS 47 HN LYS 47 -13.225 -7.074 -3.235 273 HA LYS 47 HA LYS 47 -11.966 -6.086 -0.769 274 HB2 LYS 47 HB2 LYS 47 -13.470 -7.275 0.617 275 HB3 LYS 47 HB1 LYS 47 -14.471 -6.426 -0.552 276 HG2 LYS 47 HG2 LYS 47 -15.412 -8.331 -1.164 277 HG3 LYS 47 HG1 LYS 47 -13.836 -8.993 -1.602 278 HD2 LYS 47 HD2 LYS 47 -14.279 -10.490 0.022 279 HD3 LYS 47 HD1 LYS 47 -13.748 -9.197 1.101 280 HE2 LYS 47 HE2 LYS 47 -16.599 -9.739 0.275 281 HE3 LYS 47 HE1 LYS 47 -15.877 -10.183 1.822 282 HZ1 LYS 47 HZ1 LYS 47 -15.674 -7.948 2.438 283 HZ2 LYS 47 HZ2 LYS 47 -17.218 -8.059 1.755 284 HZ3 LYS 47 HZ3 LYS 47 -15.947 -7.382 0.867 285 H CYS 48 HN CYS 48 -10.968 -7.796 0.538 286 HA CYS 48 HA CYS 48 -9.543 -9.660 -1.164 287 HB2 CYS 48 HB2 CYS 48 -9.269 -8.857 1.731 288 HB3 CYS 48 HB1 CYS 48 -8.337 -10.179 1.037 289 H GLY 49 HN GLY 49 -10.197 -11.677 -1.500 290 HA2 GLY 49 HA2 GLY 49 -12.288 -12.825 0.155 291 HA3 GLY 49 HA1 GLY 49 -11.631 -13.510 -1.324 292 HA PRO 50 HA PRO 50 -10.096 -15.802 2.554 293 HB2 PRO 50 HB2 PRO 50 -11.145 -18.112 1.031 294 HB3 PRO 50 HB1 PRO 50 -11.331 -17.714 2.741 295 HG2 PRO 50 HG2 PRO 50 -13.369 -17.455 1.032 296 HG3 PRO 50 HG1 PRO 50 -13.121 -16.300 2.354 297 HD2 PRO 50 HD2 PRO 50 -12.488 -16.014 -0.557 298 HD3 PRO 50 HD1 PRO 50 -13.157 -14.819 0.575 299 H GLY 51 HN GLY 51 -9.879 -16.190 -0.909 300 HA2 GLY 51 HA2 GLY 51 -7.368 -17.695 -0.623 301 HA3 GLY 51 HA1 GLY 51 -8.312 -17.553 -2.098 302 H GLY 52 HN GLY 52 -7.616 -14.783 -0.089 303 HA2 GLY 52 HA2 GLY 52 -6.523 -12.819 -0.579 304 HA3 GLY 52 HA1 GLY 52 -5.222 -13.877 -1.102 305 H THR 53 HN THR 53 -7.936 -11.922 -2.115 306 HA THR 53 HA THR 53 -6.810 -11.357 -4.634 307 HB THR 53 HB THR 53 -9.105 -12.411 -5.702 308 HG1 THR 53 HG1 THR 53 -9.674 -13.741 -4.063 309 HG21 THR 53 HG21 THR 53 -7.638 -13.350 -7.105 310 HG22 THR 53 HG22 THR 53 -6.915 -14.320 -5.822 311 HG23 THR 53 HG23 THR 53 -6.377 -12.661 -6.081 312 H CYS 54 HN CYS 54 -8.051 -9.748 -5.773 313 HA CYS 54 HA CYS 54 -9.944 -8.386 -4.026 314 HB2 CYS 54 HB2 CYS 54 -8.565 -7.519 -6.573 315 HB3 CYS 54 HB1 CYS 54 -9.699 -6.518 -5.676 316 H ILE 55 HN ILE 55 -11.853 -9.510 -4.236 317 HA ILE 55 HA ILE 55 -12.980 -9.767 -6.940 318 HB ILE 55 HB ILE 55 -14.728 -11.190 -5.686 319 HG12 ILE 55 HG12 ILE 55 -12.556 -11.724 -3.713 320 HG13 ILE 55 HG11 ILE 55 -13.577 -10.314 -3.448 321 HG21 ILE 55 HG21 ILE 55 -11.935 -12.301 -5.786 322 HG22 ILE 55 HG22 ILE 55 -12.899 -11.979 -7.228 323 HG23 ILE 55 HG23 ILE 55 -13.456 -13.157 -6.038 324 HD11 ILE 55 HD11 ILE 55 -15.554 -11.758 -3.489 325 HD12 ILE 55 HD12 ILE 55 -14.414 -12.221 -2.226 326 HD13 ILE 55 HD13 ILE 55 -14.510 -13.162 -3.713 327 H SER 56 HN SER 56 -15.534 -9.676 -6.796 328 HA SER 56 HA SER 56 -16.247 -7.230 -5.317 329 HB2 SER 56 HB2 SER 56 -15.977 -7.176 -7.946 330 HB3 SER 56 HB1 SER 56 -17.593 -7.882 -7.906 331 HG SER 56 HG SER 56 -17.632 -5.893 -6.204 Start of MODEL 12 1 H1 ASP 1 HT1 ASP 1 3.705 16.707 -4.291 2 H2 ASP 1 HT2 ASP 1 4.137 16.641 -2.657 3 H3 ASP 1 HT3 ASP 1 2.550 17.027 -3.098 4 HA ASP 1 HA ASP 1 2.628 14.722 -4.271 5 HB2 ASP 1 HB2 ASP 1 5.060 14.861 -2.678 6 HB3 ASP 1 HB1 ASP 1 4.070 13.474 -2.234 7 H VAL 2 HN VAL 2 2.298 12.760 -2.370 8 HA VAL 2 HA VAL 2 0.257 13.937 -0.599 9 HB VAL 2 HB VAL 2 0.219 11.080 -1.539 10 HG11 VAL 2 HG11 VAL 2 -2.280 12.521 -1.056 11 HG12 VAL 2 HG12 VAL 2 -1.237 12.393 0.361 12 HG13 VAL 2 HG13 VAL 2 -1.754 10.937 -0.488 13 HG21 VAL 2 HG21 VAL 2 -1.663 12.194 -3.093 14 HG22 VAL 2 HG22 VAL 2 -0.000 11.935 -3.623 15 HG23 VAL 2 HG23 VAL 2 -0.503 13.522 -3.039 16 H GLN 3 HN GLN 3 0.682 13.796 1.497 17 HA GLN 3 HA GLN 3 2.858 12.182 2.463 18 HB2 GLN 3 HB2 GLN 3 1.192 14.363 3.476 19 HB3 GLN 3 HB1 GLN 3 1.569 13.156 4.698 20 HG2 GLN 3 HG2 GLN 3 3.985 13.411 4.036 21 HG3 GLN 3 HG1 GLN 3 3.487 14.807 3.081 22 HE21 GLN 3 HE21 GLN 3 4.791 13.943 5.923 23 HE22 GLN 3 HE22 GLN 3 4.304 15.277 6.907 24 H CYS 4 HN CYS 4 2.564 10.061 2.660 25 HA CYS 4 HA CYS 4 0.283 8.597 2.797 26 HB2 CYS 4 HB2 CYS 4 2.936 8.032 4.126 27 HB3 CYS 4 HB1 CYS 4 1.652 6.842 3.956 28 H GLY 5 HN GLY 5 1.674 10.461 5.368 29 HA2 GLY 5 HA2 GLY 5 -0.229 10.981 7.023 30 HA3 GLY 5 HA1 GLY 5 -0.182 9.245 7.302 31 H GLY 6 HN GLY 6 2.012 8.362 7.928 32 HA2 GLY 6 HA2 GLY 6 2.921 9.708 10.238 33 HA3 GLY 6 HA1 GLY 6 3.681 8.307 9.497 34 H GLY 7 HN GLY 7 4.861 8.878 7.353 35 HA2 GLY 7 HA2 GLY 7 5.942 11.550 7.240 36 HA3 GLY 7 HA1 GLY 7 7.075 10.364 7.859 37 H PHE 8 HN PHE 8 5.060 8.839 5.622 38 HA PHE 8 HA PHE 8 7.211 8.929 3.662 39 HB2 PHE 8 HB2 PHE 8 4.945 7.108 4.233 40 HB3 PHE 8 HB1 PHE 8 5.445 7.236 2.551 41 HD1 PHE 8 HD1 PHE 8 6.802 5.527 1.890 42 HD2 PHE 8 HD2 PHE 8 7.219 7.056 5.840 43 HE1 PHE 8 HE1 PHE 8 8.639 3.944 2.303 44 HE2 PHE 8 HE2 PHE 8 9.059 5.476 6.260 45 HZ PHE 8 HZ PHE 8 9.771 3.918 4.491 46 H SER 9 HN SER 9 6.193 8.620 1.289 47 HA SER 9 HA SER 9 4.029 10.453 0.740 48 HB2 SER 9 HB2 SER 9 6.073 11.405 -0.959 49 HB3 SER 9 HB1 SER 9 5.285 12.273 0.358 50 HG SER 9 HG SER 9 7.710 10.847 0.366 51 H CYS 10 HN CYS 10 3.270 10.306 -1.428 52 HA CYS 10 HA CYS 10 4.569 8.331 -3.140 53 HB2 CYS 10 HB2 CYS 10 1.949 8.000 -1.798 54 HB3 CYS 10 HB1 CYS 10 2.060 7.480 -3.473 55 H HIS 11 HN HIS 11 2.807 8.041 -5.135 56 HA HIS 11 HA HIS 11 2.838 10.676 -6.341 57 HB2 HIS 11 HB2 HIS 11 2.181 7.977 -7.526 58 HB3 HIS 11 HB1 HIS 11 2.343 9.476 -8.434 59 HD1 HIS 11 HD1 HIS 11 4.940 10.483 -6.947 60 HD2 HIS 11 HD2 HIS 11 4.379 6.703 -8.581 61 HE1 HIS 11 HE1 HIS 11 7.249 9.596 -7.398 62 HE2 HIS 11 HE2 HIS 11 6.887 7.278 -8.319 63 H ASP 12 HN ASP 12 1.140 11.654 -7.385 64 HA ASP 12 HA ASP 12 -1.316 11.732 -6.071 65 HB2 ASP 12 HB2 ASP 12 -0.087 13.091 -8.239 66 HB3 ASP 12 HB1 ASP 12 -1.668 12.554 -8.798 67 H GLY 13 HN GLY 13 -3.266 10.747 -6.373 68 HA2 GLY 13 HA2 GLY 13 -4.869 9.430 -7.469 69 HA3 GLY 13 HA1 GLY 13 -3.664 9.009 -8.677 70 H GLU 14 HN GLU 14 -2.057 8.582 -5.912 71 HA GLU 14 HA GLU 14 -2.786 5.730 -5.814 72 HB2 GLU 14 HB2 GLU 14 -0.605 5.219 -5.431 73 HB3 GLU 14 HB1 GLU 14 -0.354 6.765 -6.229 74 HG2 GLU 14 HG2 GLU 14 0.955 7.106 -4.431 75 HG3 GLU 14 HG1 GLU 14 -0.575 7.643 -3.736 76 H THR 15 HN THR 15 -2.406 4.682 -3.596 77 HA THR 15 HA THR 15 -3.377 6.448 -1.452 78 HB THR 15 HB THR 15 -4.221 3.570 -1.854 79 HG1 THR 15 HG1 THR 15 -5.998 4.325 -2.822 80 HG21 THR 15 HG21 THR 15 -4.641 5.597 0.257 81 HG22 THR 15 HG22 THR 15 -4.611 3.837 0.364 82 HG23 THR 15 HG23 THR 15 -6.060 4.661 -0.214 83 H CYS 16 HN CYS 16 -2.302 6.299 0.439 84 HA CYS 16 HA CYS 16 -0.061 4.438 0.579 85 HB2 CYS 16 HB2 CYS 16 -0.837 6.861 2.197 86 HB3 CYS 16 HB1 CYS 16 0.482 5.795 2.676 87 H CYS 17 HN CYS 17 -0.039 2.664 1.831 88 HA CYS 17 HA CYS 17 -2.180 2.385 3.838 89 HB2 CYS 17 HB2 CYS 17 -2.908 0.738 2.466 90 HB3 CYS 17 HB1 CYS 17 -1.357 0.603 1.642 91 HA PRO 18 HA PRO 18 1.224 1.515 6.578 92 HB2 PRO 18 HB2 PRO 18 -0.176 1.273 8.833 93 HB3 PRO 18 HB1 PRO 18 -0.086 2.831 7.998 94 HG2 PRO 18 HG2 PRO 18 -2.299 0.820 8.024 95 HG3 PRO 18 HG1 PRO 18 -2.390 2.588 8.088 96 HD2 PRO 18 HD2 PRO 18 -2.735 1.039 5.796 97 HD3 PRO 18 HD1 PRO 18 -2.356 2.771 5.819 98 H THR 19 HN THR 19 1.996 -0.513 5.903 99 HA THR 19 HA THR 19 0.466 -2.895 6.556 100 HB THR 19 HB THR 19 1.982 -4.121 5.223 101 HG1 THR 19 HG1 THR 19 3.953 -3.058 4.456 102 HG21 THR 19 HG21 THR 19 1.833 -3.065 3.122 103 HG22 THR 19 HG22 THR 19 1.941 -1.454 3.831 104 HG23 THR 19 HG23 THR 19 0.480 -2.419 4.051 105 H SER 20 HN SER 20 2.615 -0.972 8.204 106 HA SER 20 HA SER 20 3.151 -3.102 10.098 107 HB2 SER 20 HB2 SER 20 5.474 -1.453 9.106 108 HB3 SER 20 HB1 SER 20 5.517 -2.886 10.133 109 HG SER 20 HG SER 20 4.952 -2.709 7.371 110 H GLN 21 HN GLN 21 5.197 -0.335 10.183 111 HA GLN 21 HA GLN 21 3.386 1.137 11.937 112 HB2 GLN 21 HB2 GLN 21 5.772 1.350 13.301 113 HB3 GLN 21 HB1 GLN 21 4.407 0.350 13.776 114 HG2 GLN 21 HG2 GLN 21 5.763 -1.395 13.685 115 HG3 GLN 21 HG1 GLN 21 5.806 -1.193 11.933 116 HE21 GLN 21 HE21 GLN 21 7.807 -1.371 11.246 117 HE22 GLN 21 HE22 GLN 21 9.206 -0.676 11.982 118 H THR 22 HN THR 22 6.868 1.265 11.202 119 HA THR 22 HA THR 22 6.563 4.082 10.481 120 HB THR 22 HB THR 22 8.881 4.343 10.789 121 HG1 THR 22 HG1 THR 22 10.257 2.454 11.023 122 HG21 THR 22 HG21 THR 22 7.864 2.317 12.781 123 HG22 THR 22 HG22 THR 22 7.801 4.075 12.915 124 HG23 THR 22 HG23 THR 22 9.353 3.240 12.985 125 H THR 23 HN THR 23 6.024 1.467 8.845 126 HA THR 23 HA THR 23 7.483 2.336 6.435 127 HB THR 23 HB THR 23 6.423 -0.301 6.098 128 HG1 THR 23 HG1 THR 23 7.865 0.171 8.494 129 HG21 THR 23 HG21 THR 23 8.279 0.570 4.824 130 HG22 THR 23 HG22 THR 23 8.823 -0.840 5.734 131 HG23 THR 23 HG23 THR 23 9.235 0.782 6.291 132 H TRP 24 HN TRP 24 6.263 3.168 4.881 133 HA TRP 24 HA TRP 24 3.382 2.562 4.893 134 HB2 TRP 24 HB2 TRP 24 4.923 5.060 4.367 135 HB3 TRP 24 HB1 TRP 24 3.418 4.815 3.485 136 HD1 TRP 24 HD1 TRP 24 4.753 5.630 6.940 137 HE1 TRP 24 HE1 TRP 24 2.779 6.205 8.491 138 HE3 TRP 24 HE3 TRP 24 0.920 4.286 3.873 139 HZ2 TRP 24 HZ2 TRP 24 -0.048 6.094 8.412 140 HZ3 TRP 24 HZ3 TRP 24 -1.393 4.539 4.675 141 HH2 TRP 24 HH2 TRP 24 -1.861 5.424 6.896 142 H GLY 25 HN GLY 25 2.674 1.366 3.275 143 HA2 GLY 25 HA2 GLY 25 4.350 0.914 0.947 144 HA3 GLY 25 HA1 GLY 25 2.870 0.059 1.352 145 H CYS 26 HN CYS 26 3.807 1.289 -1.172 146 HA CYS 26 HA CYS 26 1.822 3.403 -1.588 147 HB2 CYS 26 HB2 CYS 26 4.388 3.304 -2.388 148 HB3 CYS 26 HB1 CYS 26 3.629 2.554 -3.786 149 H CYS 27 HN CYS 27 -0.121 2.798 -2.264 150 HA CYS 27 HA CYS 27 -0.387 0.369 -3.900 151 HB2 CYS 27 HB2 CYS 27 -2.218 1.769 -1.980 152 HB3 CYS 27 HB1 CYS 27 -2.892 0.726 -3.228 153 HA PRO 28 HA PRO 28 -1.403 3.194 -7.224 154 HB2 PRO 28 HB2 PRO 28 -1.665 1.381 -9.185 155 HB3 PRO 28 HB1 PRO 28 -0.086 1.798 -8.509 156 HG2 PRO 28 HG2 PRO 28 -1.821 -0.574 -7.949 157 HG3 PRO 28 HG1 PRO 28 -0.063 -0.498 -8.167 158 HD2 PRO 28 HD2 PRO 28 -1.310 -0.606 -5.721 159 HD3 PRO 28 HD1 PRO 28 0.300 0.090 -5.987 160 H SER 29 HN SER 29 -3.460 3.779 -6.242 161 HA SER 29 HA SER 29 -5.675 3.224 -7.876 162 HB2 SER 29 HB2 SER 29 -6.943 2.197 -5.699 163 HB3 SER 29 HB1 SER 29 -6.263 1.214 -6.997 164 HG SER 29 HG SER 29 -5.160 1.804 -4.465 165 HA PRO 30 HA PRO 30 -7.094 6.996 -6.069 166 HB2 PRO 30 HB2 PRO 30 -9.849 5.898 -6.136 167 HB3 PRO 30 HB1 PRO 30 -9.197 7.350 -6.904 168 HG2 PRO 30 HG2 PRO 30 -9.775 5.193 -8.355 169 HG3 PRO 30 HG1 PRO 30 -8.337 6.169 -8.708 170 HD2 PRO 30 HD2 PRO 30 -8.540 3.550 -7.266 171 HD3 PRO 30 HD1 PRO 30 -7.340 4.086 -8.462 172 H LYS 31 HN LYS 31 -9.507 4.688 -4.860 173 HA LYS 31 HA LYS 31 -8.980 5.614 -2.127 174 HB2 LYS 31 HB2 LYS 31 -11.287 4.157 -3.405 175 HB3 LYS 31 HB1 LYS 31 -11.092 4.205 -1.658 176 HG2 LYS 31 HG2 LYS 31 -11.074 6.748 -3.217 177 HG3 LYS 31 HG1 LYS 31 -12.603 5.946 -2.853 178 HD2 LYS 31 HD2 LYS 31 -12.479 6.423 -0.641 179 HD3 LYS 31 HD1 LYS 31 -10.722 6.258 -0.596 180 HE2 LYS 31 HE2 LYS 31 -10.385 8.445 -0.993 181 HE3 LYS 31 HE1 LYS 31 -11.692 8.531 -2.174 182 HZ1 LYS 31 HZ1 LYS 31 -11.867 8.757 0.771 183 HZ2 LYS 31 HZ2 LYS 31 -13.228 8.425 -0.177 184 HZ3 LYS 31 HZ3 LYS 31 -12.374 9.868 -0.401 185 H ALA 32 HN ALA 32 -10.143 2.519 -3.308 186 HA ALA 32 HA ALA 32 -9.519 0.374 -2.992 187 HB1 ALA 32 HB1 ALA 32 -7.687 0.448 -4.276 188 HB2 ALA 32 HB2 ALA 32 -6.853 0.217 -2.740 189 HB3 ALA 32 HB3 ALA 32 -7.009 1.835 -3.425 190 H VAL 33 HN VAL 33 -9.209 -1.154 -1.490 191 HA VAL 33 HA VAL 33 -8.653 -0.252 1.254 192 HB VAL 33 HB VAL 33 -9.859 -2.913 0.522 193 HG11 VAL 33 HG11 VAL 33 -8.962 -2.223 2.861 194 HG12 VAL 33 HG12 VAL 33 -10.517 -3.046 2.733 195 HG13 VAL 33 HG13 VAL 33 -10.461 -1.297 2.963 196 HG21 VAL 33 HG21 VAL 33 -11.467 -1.641 -0.498 197 HG22 VAL 33 HG22 VAL 33 -11.160 -0.237 0.524 198 HG23 VAL 33 HG23 VAL 33 -12.063 -1.611 1.163 199 H CYS 34 HN CYS 34 -6.647 -0.700 1.963 200 HA CYS 34 HA CYS 34 -4.868 -2.349 0.528 201 HB2 CYS 34 HB2 CYS 34 -4.042 -0.484 1.817 202 HB3 CYS 34 HB1 CYS 34 -4.643 -1.196 3.313 203 H CYS 35 HN CYS 35 -5.298 -4.490 0.349 204 HA CYS 35 HA CYS 35 -6.488 -6.152 2.227 205 HB2 CYS 35 HB2 CYS 35 -5.457 -6.492 -0.298 206 HB3 CYS 35 HB1 CYS 35 -4.341 -7.437 0.682 207 H ASP 36 HN ASP 36 -5.891 -6.525 4.228 208 HA ASP 36 HA ASP 36 -3.164 -6.127 5.083 209 HB2 ASP 36 HB2 ASP 36 -5.342 -5.428 6.312 210 HB3 ASP 36 HB1 ASP 36 -5.360 -7.097 6.877 211 H ASP 37 HN ASP 37 -5.134 -8.889 4.259 212 HA ASP 37 HA ASP 37 -4.276 -10.904 5.834 213 HB2 ASP 37 HB2 ASP 37 -5.065 -10.675 3.017 214 HB3 ASP 37 HB1 ASP 37 -4.049 -12.073 3.355 215 H MET 38 HN MET 38 -2.469 -9.506 3.138 216 HA MET 38 HA MET 38 -0.004 -10.586 4.310 217 HB2 MET 38 HB2 MET 38 -0.896 -10.760 1.437 218 HB3 MET 38 HB1 MET 38 0.804 -10.838 1.879 219 HG2 MET 38 HG2 MET 38 0.563 -12.869 2.963 220 HG3 MET 38 HG1 MET 38 -1.177 -12.668 3.164 221 HE1 MET 38 HE1 MET 38 0.560 -15.449 0.403 222 HE2 MET 38 HE2 MET 38 -0.189 -15.585 1.993 223 HE3 MET 38 HE3 MET 38 1.286 -14.640 1.793 224 H GLN 39 HN GLN 39 -0.245 -8.878 1.257 225 HA GLN 39 HA GLN 39 0.184 -6.291 2.384 226 HB2 GLN 39 HB2 GLN 39 2.483 -7.343 2.478 227 HB3 GLN 39 HB1 GLN 39 2.428 -7.456 0.724 228 HG2 GLN 39 HG2 GLN 39 2.280 -5.050 0.538 229 HG3 GLN 39 HG1 GLN 39 2.228 -4.896 2.294 230 HE21 GLN 39 HE21 GLN 39 4.249 -6.950 0.246 231 HE22 GLN 39 HE22 GLN 39 5.757 -6.299 0.778 232 H HIS 40 HN HIS 40 -1.815 -6.091 1.093 233 HA HIS 40 HA HIS 40 -1.149 -5.462 -1.684 234 HB2 HIS 40 HB2 HIS 40 -3.234 -7.506 -0.923 235 HB3 HIS 40 HB1 HIS 40 -3.142 -6.757 -2.512 236 HD1 HIS 40 HD1 HIS 40 -0.844 -7.243 -3.851 237 HD2 HIS 40 HD2 HIS 40 -1.651 -9.694 -0.595 238 HE1 HIS 40 HE1 HIS 40 0.649 -9.248 -4.131 239 HE2 HIS 40 HE2 HIS 40 0.168 -10.702 -2.131 240 H CYS 41 HN CYS 41 -3.450 -4.978 -2.814 241 HA CYS 41 HA CYS 41 -5.164 -3.394 -1.091 242 HB2 CYS 41 HB2 CYS 41 -4.599 -1.789 -3.394 243 HB3 CYS 41 HB1 CYS 41 -4.382 -1.385 -1.695 244 H CYS 42 HN CYS 42 -7.209 -3.003 -1.998 245 HA CYS 42 HA CYS 42 -7.721 -4.410 -4.533 246 HB2 CYS 42 HB2 CYS 42 -9.042 -4.628 -1.887 247 HB3 CYS 42 HB1 CYS 42 -10.095 -4.655 -3.297 248 HA PRO 43 HA PRO 43 -9.279 -0.609 -6.163 249 HB2 PRO 43 HB2 PRO 43 -11.392 -1.781 -7.608 250 HB3 PRO 43 HB1 PRO 43 -9.767 -1.438 -8.206 251 HG2 PRO 43 HG2 PRO 43 -10.915 -3.986 -7.183 252 HG3 PRO 43 HG1 PRO 43 -9.707 -3.723 -8.455 253 HD2 PRO 43 HD2 PRO 43 -9.004 -4.625 -6.037 254 HD3 PRO 43 HD1 PRO 43 -7.973 -3.483 -6.927 255 H ALA 44 HN ALA 44 -10.588 0.856 -5.334 256 HA ALA 44 HA ALA 44 -12.258 0.559 -3.212 257 HB1 ALA 44 HB1 ALA 44 -11.990 2.765 -3.549 258 HB2 ALA 44 HB2 ALA 44 -13.492 2.623 -4.463 259 HB3 ALA 44 HB3 ALA 44 -11.942 2.596 -5.304 260 H GLY 45 HN GLY 45 -14.239 -0.236 -2.827 261 HA2 GLY 45 HA2 GLY 45 -16.527 -0.588 -3.396 262 HA3 GLY 45 HA1 GLY 45 -16.069 -0.599 -5.094 263 H TYR 46 HN TYR 46 -13.710 -2.372 -3.807 264 HA TYR 46 HA TYR 46 -15.238 -4.871 -4.105 265 HB2 TYR 46 HB2 TYR 46 -12.400 -4.161 -4.823 266 HB3 TYR 46 HB1 TYR 46 -12.921 -5.835 -4.663 267 HD1 TYR 46 HD1 TYR 46 -14.110 -2.702 -6.333 268 HD2 TYR 46 HD2 TYR 46 -13.514 -6.905 -6.616 269 HE1 TYR 46 HE1 TYR 46 -14.943 -2.658 -8.646 270 HE2 TYR 46 HE2 TYR 46 -14.345 -6.872 -8.931 271 HH TYR 46 HH TYR 46 -15.047 -5.607 -10.621 272 H LYS 47 HN LYS 47 -14.333 -6.743 -2.905 273 HA LYS 47 HA LYS 47 -13.254 -5.918 -0.287 274 HB2 LYS 47 HB2 LYS 47 -15.486 -6.530 0.142 275 HB3 LYS 47 HB1 LYS 47 -15.434 -7.867 -0.995 276 HG2 LYS 47 HG2 LYS 47 -13.550 -8.129 1.224 277 HG3 LYS 47 HG1 LYS 47 -15.245 -8.083 1.713 278 HD2 LYS 47 HD2 LYS 47 -14.354 -9.849 -0.537 279 HD3 LYS 47 HD1 LYS 47 -14.156 -10.364 1.139 280 HE2 LYS 47 HE2 LYS 47 -16.566 -10.196 -0.505 281 HE3 LYS 47 HE1 LYS 47 -16.233 -11.177 0.920 282 HZ1 LYS 47 HZ1 LYS 47 -17.147 -8.358 0.844 283 HZ2 LYS 47 HZ2 LYS 47 -16.586 -9.108 2.252 284 HZ3 LYS 47 HZ3 LYS 47 -17.970 -9.695 1.475 285 H CYS 48 HN CYS 48 -11.904 -7.503 0.808 286 HA CYS 48 HA CYS 48 -10.317 -9.031 -1.085 287 HB2 CYS 48 HB2 CYS 48 -9.954 -8.039 1.701 288 HB3 CYS 48 HB1 CYS 48 -9.060 -9.480 1.231 289 H GLY 49 HN GLY 49 -10.239 -11.225 -1.205 290 HA2 GLY 49 HA2 GLY 49 -12.070 -12.688 0.586 291 HA3 GLY 49 HA1 GLY 49 -11.712 -13.156 -1.069 292 HA PRO 50 HA PRO 50 -9.175 -15.678 2.037 293 HB2 PRO 50 HB2 PRO 50 -10.036 -17.780 0.119 294 HB3 PRO 50 HB1 PRO 50 -9.971 -17.824 1.884 295 HG2 PRO 50 HG2 PRO 50 -12.302 -17.611 0.611 296 HG3 PRO 50 HG1 PRO 50 -11.999 -16.724 2.118 297 HD2 PRO 50 HD2 PRO 50 -11.997 -15.730 -0.702 298 HD3 PRO 50 HD1 PRO 50 -12.589 -14.939 0.774 299 H GLY 51 HN GLY 51 -7.059 -15.619 1.661 300 HA2 GLY 51 HA2 GLY 51 -5.053 -16.089 0.592 301 HA3 GLY 51 HA1 GLY 51 -5.954 -16.642 -0.810 302 H GLY 52 HN GLY 52 -7.009 -13.633 0.248 303 HA2 GLY 52 HA2 GLY 52 -6.615 -11.468 -0.446 304 HA3 GLY 52 HA1 GLY 52 -5.048 -11.995 -1.042 305 H THR 53 HN THR 53 -8.271 -11.191 -1.848 306 HA THR 53 HA THR 53 -7.651 -11.063 -4.634 307 HB THR 53 HB THR 53 -9.891 -12.509 -5.028 308 HG1 THR 53 HG1 THR 53 -9.377 -14.496 -3.691 309 HG21 THR 53 HG21 THR 53 -7.389 -14.100 -4.829 310 HG22 THR 53 HG22 THR 53 -7.374 -12.676 -5.871 311 HG23 THR 53 HG23 THR 53 -8.543 -13.965 -6.156 312 H CYS 54 HN CYS 54 -9.009 -9.662 -5.703 313 HA CYS 54 HA CYS 54 -10.899 -8.234 -4.019 314 HB2 CYS 54 HB2 CYS 54 -10.029 -7.551 -6.826 315 HB3 CYS 54 HB1 CYS 54 -10.800 -6.485 -5.655 316 H ILE 55 HN ILE 55 -12.838 -9.162 -3.930 317 HA ILE 55 HA ILE 55 -14.126 -9.964 -6.457 318 HB ILE 55 HB ILE 55 -15.655 -10.958 -4.315 319 HG12 ILE 55 HG12 ILE 55 -12.757 -11.752 -3.982 320 HG13 ILE 55 HG11 ILE 55 -13.552 -10.562 -2.958 321 HG21 ILE 55 HG21 ILE 55 -15.655 -12.741 -5.646 322 HG22 ILE 55 HG22 ILE 55 -13.903 -12.911 -5.547 323 HG23 ILE 55 HG23 ILE 55 -14.616 -11.813 -6.728 324 HD11 ILE 55 HD11 ILE 55 -14.891 -12.142 -1.942 325 HD12 ILE 55 HD12 ILE 55 -13.370 -13.009 -2.163 326 HD13 ILE 55 HD13 ILE 55 -14.716 -13.293 -3.267 327 H SER 56 HN SER 56 -16.427 -9.542 -6.654 328 HA SER 56 HA SER 56 -17.107 -6.935 -5.569 329 HB2 SER 56 HB2 SER 56 -17.957 -8.570 -7.872 330 HB3 SER 56 HB1 SER 56 -19.241 -7.624 -7.120 331 HG SER 56 HG SER 56 -17.512 -5.868 -7.256 Start of MODEL 13 1 H1 ASP 1 HT1 ASP 1 3.622 16.777 -4.420 2 H2 ASP 1 HT2 ASP 1 4.995 16.289 -5.279 3 H3 ASP 1 HT3 ASP 1 5.159 16.961 -3.735 4 HA ASP 1 HA ASP 1 4.149 14.302 -4.499 5 HB2 ASP 1 HB2 ASP 1 5.733 13.708 -2.585 6 HB3 ASP 1 HB1 ASP 1 6.477 14.345 -4.048 7 H VAL 2 HN VAL 2 3.441 12.973 -2.597 8 HA VAL 2 HA VAL 2 1.815 14.593 -0.743 9 HB VAL 2 HB VAL 2 0.986 11.840 -1.595 10 HG11 VAL 2 HG11 VAL 2 -1.135 12.462 -0.823 11 HG12 VAL 2 HG12 VAL 2 -0.743 14.181 -0.859 12 HG13 VAL 2 HG13 VAL 2 -0.019 13.136 0.364 13 HG21 VAL 2 HG21 VAL 2 -0.576 13.569 -3.085 14 HG22 VAL 2 HG22 VAL 2 0.709 12.528 -3.698 15 HG23 VAL 2 HG23 VAL 2 1.059 14.205 -3.276 16 H GLN 3 HN GLN 3 1.997 14.152 1.373 17 HA GLN 3 HA GLN 3 3.852 12.052 2.176 18 HB2 GLN 3 HB2 GLN 3 3.061 14.631 3.217 19 HB3 GLN 3 HB1 GLN 3 2.927 13.394 4.459 20 HG2 GLN 3 HG2 GLN 3 5.369 12.885 3.252 21 HG3 GLN 3 HG1 GLN 3 5.276 14.644 3.333 22 HE21 GLN 3 HE21 GLN 3 7.128 13.127 4.764 23 HE22 GLN 3 HE22 GLN 3 6.789 13.289 6.450 24 H CYS 4 HN CYS 4 3.193 10.145 2.916 25 HA CYS 4 HA CYS 4 0.505 9.389 3.047 26 HB2 CYS 4 HB2 CYS 4 2.786 8.024 4.486 27 HB3 CYS 4 HB1 CYS 4 1.275 7.296 3.957 28 H GLY 5 HN GLY 5 2.655 9.262 5.886 29 HA2 GLY 5 HA2 GLY 5 0.918 10.915 7.470 30 HA3 GLY 5 HA1 GLY 5 0.755 9.206 7.846 31 H GLY 6 HN GLY 6 3.354 11.591 7.313 32 HA2 GLY 6 HA2 GLY 6 5.222 12.067 8.569 33 HA3 GLY 6 HA1 GLY 6 4.448 11.234 9.909 34 H GLY 7 HN GLY 7 5.830 10.357 6.738 35 HA2 GLY 7 HA2 GLY 7 7.976 8.877 7.707 36 HA3 GLY 7 HA1 GLY 7 6.620 7.768 7.573 37 H PHE 8 HN PHE 8 5.660 7.435 5.475 38 HA PHE 8 HA PHE 8 7.672 7.574 3.377 39 HB2 PHE 8 HB2 PHE 8 5.064 6.100 3.666 40 HB3 PHE 8 HB1 PHE 8 5.915 6.174 2.129 41 HD1 PHE 8 HD1 PHE 8 6.541 5.332 5.707 42 HD2 PHE 8 HD2 PHE 8 7.412 4.514 1.623 43 HE1 PHE 8 HE1 PHE 8 7.933 3.421 6.390 44 HE2 PHE 8 HE2 PHE 8 8.806 2.602 2.298 45 HZ PHE 8 HZ PHE 8 9.067 2.053 4.684 46 H SER 9 HN SER 9 6.690 7.849 1.093 47 HA SER 9 HA SER 9 4.676 9.951 0.955 48 HB2 SER 9 HB2 SER 9 6.919 10.605 -0.779 49 HB3 SER 9 HB1 SER 9 6.057 11.628 0.369 50 HG SER 9 HG SER 9 8.179 9.832 0.935 51 H CYS 10 HN CYS 10 3.848 10.249 -1.233 52 HA CYS 10 HA CYS 10 4.646 8.212 -3.164 53 HB2 CYS 10 HB2 CYS 10 2.005 8.346 -1.782 54 HB3 CYS 10 HB1 CYS 10 2.044 7.853 -3.472 55 H HIS 11 HN HIS 11 3.062 8.406 -5.103 56 HA HIS 11 HA HIS 11 3.432 11.075 -6.132 57 HB2 HIS 11 HB2 HIS 11 2.903 8.423 -7.245 58 HB3 HIS 11 HB1 HIS 11 2.039 9.708 -8.081 59 HD1 HIS 11 HD1 HIS 11 3.432 9.722 -10.194 60 HD2 HIS 11 HD2 HIS 11 5.708 10.167 -6.745 61 HE1 HIS 11 HE1 HIS 11 5.740 10.337 -10.984 62 HE2 HIS 11 HE2 HIS 11 7.088 10.647 -8.879 63 H ASP 12 HN ASP 12 1.857 12.462 -6.949 64 HA ASP 12 HA ASP 12 -0.533 12.580 -5.423 65 HB2 ASP 12 HB2 ASP 12 -0.988 14.627 -6.669 66 HB3 ASP 12 HB1 ASP 12 0.695 14.589 -6.152 67 H GLY 13 HN GLY 13 -0.585 10.152 -6.824 68 HA2 GLY 13 HA2 GLY 13 -3.100 10.390 -8.161 69 HA3 GLY 13 HA1 GLY 13 -1.771 9.838 -9.187 70 H GLU 14 HN GLU 14 -1.449 9.234 -5.897 71 HA GLU 14 HA GLU 14 -2.442 6.466 -6.104 72 HB2 GLU 14 HB2 GLU 14 -0.016 6.805 -4.473 73 HB3 GLU 14 HB1 GLU 14 -0.452 5.516 -5.583 74 HG2 GLU 14 HG2 GLU 14 0.089 7.895 -7.067 75 HG3 GLU 14 HG1 GLU 14 1.418 7.578 -5.954 76 H THR 15 HN THR 15 -2.047 5.478 -3.678 77 HA THR 15 HA THR 15 -2.885 7.457 -1.699 78 HB THR 15 HB THR 15 -4.381 4.871 -2.232 79 HG1 THR 15 HG1 THR 15 -4.702 7.400 -3.136 80 HG21 THR 15 HG21 THR 15 -5.926 5.835 -0.450 81 HG22 THR 15 HG22 THR 15 -4.600 6.923 -0.036 82 HG23 THR 15 HG23 THR 15 -4.388 5.178 0.113 83 H CYS 16 HN CYS 16 -2.068 7.071 0.311 84 HA CYS 16 HA CYS 16 -0.189 4.859 0.550 85 HB2 CYS 16 HB2 CYS 16 -0.696 7.308 2.240 86 HB3 CYS 16 HB1 CYS 16 0.455 6.054 2.684 87 H CYS 17 HN CYS 17 -0.566 3.062 1.707 88 HA CYS 17 HA CYS 17 -2.814 3.088 3.609 89 HB2 CYS 17 HB2 CYS 17 -3.665 1.160 2.764 90 HB3 CYS 17 HB1 CYS 17 -2.849 1.703 1.303 91 HA PRO 18 HA PRO 18 0.274 1.730 6.481 92 HB2 PRO 18 HB2 PRO 18 -1.289 1.368 8.623 93 HB3 PRO 18 HB1 PRO 18 -1.004 2.980 7.952 94 HG2 PRO 18 HG2 PRO 18 -3.379 1.191 7.643 95 HG3 PRO 18 HG1 PRO 18 -3.320 2.947 7.876 96 HD2 PRO 18 HD2 PRO 18 -3.662 1.684 5.433 97 HD3 PRO 18 HD1 PRO 18 -3.074 3.341 5.643 98 H THR 19 HN THR 19 1.108 -0.217 5.933 99 HA THR 19 HA THR 19 -0.476 -2.635 6.036 100 HB THR 19 HB THR 19 1.092 -3.571 4.740 101 HG1 THR 19 HG1 THR 19 3.477 -2.936 5.395 102 HG21 THR 19 HG21 THR 19 1.915 -0.691 4.734 103 HG22 THR 19 HG22 THR 19 1.107 -1.624 3.475 104 HG23 THR 19 HG23 THR 19 2.823 -1.875 3.794 105 H SER 20 HN SER 20 1.361 -0.855 8.255 106 HA SER 20 HA SER 20 1.104 -2.979 10.209 107 HB2 SER 20 HB2 SER 20 3.717 -2.119 9.105 108 HB3 SER 20 HB1 SER 20 3.633 -2.294 10.858 109 HG SER 20 HG SER 20 2.640 -4.425 10.335 110 H GLN 21 HN GLN 21 3.403 -0.407 10.647 111 HA GLN 21 HA GLN 21 1.521 1.417 11.840 112 HB2 GLN 21 HB2 GLN 21 2.587 1.351 14.086 113 HB3 GLN 21 HB1 GLN 21 1.726 -0.128 13.683 114 HG2 GLN 21 HG2 GLN 21 4.132 -0.853 12.841 115 HG3 GLN 21 HG1 GLN 21 4.628 0.346 14.036 116 HE21 GLN 21 HE21 GLN 21 4.313 -0.056 16.196 117 HE22 GLN 21 HE22 GLN 21 3.830 -1.597 16.808 118 H THR 22 HN THR 22 4.629 0.513 10.746 119 HA THR 22 HA THR 22 5.501 3.323 10.858 120 HB THR 22 HB THR 22 7.784 2.668 11.210 121 HG1 THR 22 HG1 THR 22 7.807 0.711 10.050 122 HG21 THR 22 HG21 THR 22 7.669 1.644 13.423 123 HG22 THR 22 HG22 THR 22 6.017 1.114 13.106 124 HG23 THR 22 HG23 THR 22 6.383 2.835 13.225 125 H THR 23 HN THR 23 4.593 0.801 8.957 126 HA THR 23 HA THR 23 6.331 1.574 6.714 127 HB THR 23 HB THR 23 4.497 -0.723 6.377 128 HG1 THR 23 HG1 THR 23 5.382 -1.960 7.877 129 HG21 THR 23 HG21 THR 23 5.926 -0.534 4.594 130 HG22 THR 23 HG22 THR 23 6.861 -1.629 5.612 131 HG23 THR 23 HG23 THR 23 7.248 0.091 5.580 132 H TRP 24 HN TRP 24 5.318 1.834 4.597 133 HA TRP 24 HA TRP 24 2.450 2.352 4.605 134 HB2 TRP 24 HB2 TRP 24 4.564 4.448 4.336 135 HB3 TRP 24 HB1 TRP 24 3.081 4.614 3.401 136 HD1 TRP 24 HD1 TRP 24 4.464 5.080 6.867 137 HE1 TRP 24 HE1 TRP 24 2.603 5.937 8.428 138 HE3 TRP 24 HE3 TRP 24 0.458 4.391 3.788 139 HZ2 TRP 24 HZ2 TRP 24 -0.205 6.273 8.354 140 HZ3 TRP 24 HZ3 TRP 24 -1.783 4.999 4.601 141 HH2 TRP 24 HH2 TRP 24 -2.104 5.917 6.834 142 H GLY 25 HN GLY 25 1.764 1.194 2.930 143 HA2 GLY 25 HA2 GLY 25 3.462 0.759 0.615 144 HA3 GLY 25 HA1 GLY 25 1.893 0.025 0.913 145 H CYS 26 HN CYS 26 2.980 1.308 -1.505 146 HA CYS 26 HA CYS 26 1.250 3.658 -1.777 147 HB2 CYS 26 HB2 CYS 26 3.793 3.366 -2.563 148 HB3 CYS 26 HB1 CYS 26 2.994 2.771 -4.014 149 H CYS 27 HN CYS 27 -0.599 3.605 -2.884 150 HA CYS 27 HA CYS 27 -1.158 1.233 -4.546 151 HB2 CYS 27 HB2 CYS 27 -2.779 2.647 -2.493 152 HB3 CYS 27 HB1 CYS 27 -3.626 1.974 -3.882 153 HA PRO 28 HA PRO 28 -1.803 4.329 -7.712 154 HB2 PRO 28 HB2 PRO 28 -2.263 2.671 -9.767 155 HB3 PRO 28 HB1 PRO 28 -0.652 2.842 -9.060 156 HG2 PRO 28 HG2 PRO 28 -2.685 0.689 -8.642 157 HG3 PRO 28 HG1 PRO 28 -0.930 0.548 -8.844 158 HD2 PRO 28 HD2 PRO 28 -2.220 0.479 -6.415 159 HD3 PRO 28 HD1 PRO 28 -0.525 0.955 -6.632 160 H SER 29 HN SER 29 -4.011 3.607 -5.912 161 HA SER 29 HA SER 29 -6.208 4.201 -7.737 162 HB2 SER 29 HB2 SER 29 -6.665 2.115 -5.625 163 HB3 SER 29 HB1 SER 29 -7.591 2.435 -7.091 164 HG SER 29 HG SER 29 -6.405 0.618 -7.486 165 HA PRO 30 HA PRO 30 -7.491 7.042 -4.623 166 HB2 PRO 30 HB2 PRO 30 -10.223 6.716 -4.625 167 HB3 PRO 30 HB1 PRO 30 -9.330 7.656 -5.824 168 HG2 PRO 30 HG2 PRO 30 -10.369 4.859 -5.998 169 HG3 PRO 30 HG1 PRO 30 -10.370 6.134 -7.230 170 HD2 PRO 30 HD2 PRO 30 -8.580 4.130 -7.272 171 HD3 PRO 30 HD1 PRO 30 -8.152 5.775 -7.787 172 H LYS 31 HN LYS 31 -10.327 5.246 -3.855 173 HA LYS 31 HA LYS 31 -9.687 5.039 -1.132 174 HB2 LYS 31 HB2 LYS 31 -11.850 4.090 -2.899 175 HB3 LYS 31 HB1 LYS 31 -11.606 3.130 -1.446 176 HG2 LYS 31 HG2 LYS 31 -13.221 4.719 -0.868 177 HG3 LYS 31 HG1 LYS 31 -11.717 5.318 -0.162 178 HD2 LYS 31 HD2 LYS 31 -11.433 6.808 -2.110 179 HD3 LYS 31 HD1 LYS 31 -12.979 6.241 -2.744 180 HE2 LYS 31 HE2 LYS 31 -14.187 7.244 -1.006 181 HE3 LYS 31 HE1 LYS 31 -12.753 7.428 0.003 182 HZ1 LYS 31 HZ1 LYS 31 -13.095 8.859 -2.569 183 HZ2 LYS 31 HZ2 LYS 31 -11.966 9.171 -1.349 184 HZ3 LYS 31 HZ3 LYS 31 -13.605 9.503 -1.089 185 H ALA 32 HN ALA 32 -10.523 2.122 -2.927 186 HA ALA 32 HA ALA 32 -9.595 0.047 -3.041 187 HB1 ALA 32 HB1 ALA 32 -7.120 1.709 -2.650 188 HB2 ALA 32 HB2 ALA 32 -7.724 0.951 -4.126 189 HB3 ALA 32 HB3 ALA 32 -7.056 -0.045 -2.833 190 H VAL 33 HN VAL 33 -9.146 -1.702 -1.719 191 HA VAL 33 HA VAL 33 -9.113 -1.129 1.154 192 HB VAL 33 HB VAL 33 -9.713 -3.722 -0.284 193 HG11 VAL 33 HG11 VAL 33 -8.782 -4.037 1.971 194 HG12 VAL 33 HG12 VAL 33 -10.469 -4.543 1.870 195 HG13 VAL 33 HG13 VAL 33 -10.053 -3.005 2.626 196 HG21 VAL 33 HG21 VAL 33 -11.794 -2.996 -0.550 197 HG22 VAL 33 HG22 VAL 33 -11.308 -1.421 0.078 198 HG23 VAL 33 HG23 VAL 33 -11.923 -2.658 1.175 199 H CYS 34 HN CYS 34 -7.082 -0.931 1.853 200 HA CYS 34 HA CYS 34 -4.825 -2.131 0.714 201 HB2 CYS 34 HB2 CYS 34 -4.546 -0.141 1.984 202 HB3 CYS 34 HB1 CYS 34 -5.267 -0.870 3.415 203 H CYS 35 HN CYS 35 -5.375 -4.390 0.514 204 HA CYS 35 HA CYS 35 -5.917 -6.077 2.673 205 HB2 CYS 35 HB2 CYS 35 -4.345 -6.808 0.193 206 HB3 CYS 35 HB1 CYS 35 -5.249 -7.902 1.235 207 H ASP 36 HN ASP 36 -4.783 -6.520 4.353 208 HA ASP 36 HA ASP 36 -1.937 -5.933 4.449 209 HB2 ASP 36 HB2 ASP 36 -3.785 -6.735 6.698 210 HB3 ASP 36 HB1 ASP 36 -2.158 -6.080 6.855 211 H ASP 37 HN ASP 37 -3.994 -8.742 4.259 212 HA ASP 37 HA ASP 37 -2.693 -10.717 5.580 213 HB2 ASP 37 HB2 ASP 37 -4.658 -10.893 3.922 214 HB3 ASP 37 HB1 ASP 37 -3.427 -11.065 2.673 215 H MET 38 HN MET 38 -1.750 -9.218 2.564 216 HA MET 38 HA MET 38 0.967 -10.282 2.907 217 HB2 MET 38 HB2 MET 38 -0.544 -9.828 0.321 218 HB3 MET 38 HB1 MET 38 1.171 -10.198 0.411 219 HG2 MET 38 HG2 MET 38 -0.864 -12.016 1.638 220 HG3 MET 38 HG1 MET 38 -0.484 -12.096 -0.081 221 HE1 MET 38 HE1 MET 38 -0.046 -14.783 1.202 222 HE2 MET 38 HE2 MET 38 -0.084 -14.002 2.783 223 HE3 MET 38 HE3 MET 38 1.308 -14.980 2.315 224 H GLN 39 HN GLN 39 0.451 -8.195 0.254 225 HA GLN 39 HA GLN 39 0.726 -5.751 1.748 226 HB2 GLN 39 HB2 GLN 39 3.074 -6.951 1.355 227 HB3 GLN 39 HB1 GLN 39 2.924 -6.176 -0.218 228 HG2 GLN 39 HG2 GLN 39 2.640 -4.671 2.363 229 HG3 GLN 39 HG1 GLN 39 4.190 -4.906 1.558 230 HE21 GLN 39 HE21 GLN 39 1.490 -2.957 1.813 231 HE22 GLN 39 HE22 GLN 39 1.724 -1.995 0.397 232 H HIS 40 HN HIS 40 -1.307 -5.350 0.579 233 HA HIS 40 HA HIS 40 -0.940 -3.810 -1.733 234 HB2 HIS 40 HB2 HIS 40 -1.840 -5.184 -3.509 235 HB3 HIS 40 HB1 HIS 40 -0.430 -5.984 -2.818 236 HD1 HIS 40 HD1 HIS 40 -3.867 -6.577 -3.741 237 HD2 HIS 40 HD2 HIS 40 -1.236 -8.120 -0.919 238 HE1 HIS 40 HE1 HIS 40 -4.864 -8.770 -3.024 239 HE2 HIS 40 HE2 HIS 40 -3.208 -9.730 -1.386 240 H CYS 41 HN CYS 41 -2.977 -3.114 -2.755 241 HA CYS 41 HA CYS 41 -5.294 -3.610 -1.016 242 HB2 CYS 41 HB2 CYS 41 -5.891 -1.313 -1.085 243 HB3 CYS 41 HB1 CYS 41 -4.172 -1.354 -0.708 244 H CYS 42 HN CYS 42 -7.179 -4.096 -2.022 245 HA CYS 42 HA CYS 42 -7.124 -4.378 -4.902 246 HB2 CYS 42 HB2 CYS 42 -8.159 -5.974 -3.074 247 HB3 CYS 42 HB1 CYS 42 -9.560 -4.926 -3.248 248 HA PRO 43 HA PRO 43 -9.006 -0.657 -6.276 249 HB2 PRO 43 HB2 PRO 43 -11.061 -1.859 -7.805 250 HB3 PRO 43 HB1 PRO 43 -9.477 -1.328 -8.374 251 HG2 PRO 43 HG2 PRO 43 -10.379 -4.035 -7.523 252 HG3 PRO 43 HG1 PRO 43 -9.238 -3.584 -8.805 253 HD2 PRO 43 HD2 PRO 43 -8.337 -4.578 -6.521 254 HD3 PRO 43 HD1 PRO 43 -7.504 -3.195 -7.269 255 H ALA 44 HN ALA 44 -10.298 0.664 -5.319 256 HA ALA 44 HA ALA 44 -11.956 0.304 -3.252 257 HB1 ALA 44 HB1 ALA 44 -13.157 2.362 -3.910 258 HB2 ALA 44 HB2 ALA 44 -12.393 2.268 -5.498 259 HB3 ALA 44 HB3 ALA 44 -11.406 2.511 -4.056 260 H GLY 45 HN GLY 45 -13.678 -0.859 -2.866 261 HA2 GLY 45 HA2 GLY 45 -16.053 -1.200 -3.365 262 HA3 GLY 45 HA1 GLY 45 -15.606 -1.293 -5.061 263 H TYR 46 HN TYR 46 -13.159 -2.987 -3.840 264 HA TYR 46 HA TYR 46 -14.733 -5.478 -3.746 265 HB2 TYR 46 HB2 TYR 46 -12.008 -4.957 -4.941 266 HB3 TYR 46 HB1 TYR 46 -12.642 -6.572 -4.654 267 HD1 TYR 46 HD1 TYR 46 -14.695 -7.316 -5.880 268 HD2 TYR 46 HD2 TYR 46 -12.669 -3.700 -6.838 269 HE1 TYR 46 HE1 TYR 46 -15.828 -7.267 -8.062 270 HE2 TYR 46 HE2 TYR 46 -13.797 -3.640 -9.021 271 HH TYR 46 HH TYR 46 -15.268 -6.196 -10.404 272 H LYS 47 HN LYS 47 -13.564 -7.273 -2.584 273 HA LYS 47 HA LYS 47 -11.942 -6.229 -0.363 274 HB2 LYS 47 HB2 LYS 47 -13.165 -7.497 1.244 275 HB3 LYS 47 HB1 LYS 47 -14.340 -6.595 0.297 276 HG2 LYS 47 HG2 LYS 47 -15.354 -8.450 -0.385 277 HG3 LYS 47 HG1 LYS 47 -13.827 -9.217 -0.823 278 HD2 LYS 47 HD2 LYS 47 -14.434 -10.616 0.863 279 HD3 LYS 47 HD1 LYS 47 -13.615 -9.386 1.828 280 HE2 LYS 47 HE2 LYS 47 -16.395 -8.719 1.348 281 HE3 LYS 47 HE1 LYS 47 -16.222 -10.283 2.144 282 HZ1 LYS 47 HZ1 LYS 47 -14.569 -8.935 3.632 283 HZ2 LYS 47 HZ2 LYS 47 -16.233 -8.890 3.932 284 HZ3 LYS 47 HZ3 LYS 47 -15.488 -7.614 3.109 285 H CYS 48 HN CYS 48 -10.556 -7.753 0.656 286 HA CYS 48 HA CYS 48 -9.506 -9.702 -1.211 287 HB2 CYS 48 HB2 CYS 48 -8.242 -9.685 1.411 288 HB3 CYS 48 HB1 CYS 48 -7.545 -9.358 -0.172 289 H GLY 49 HN GLY 49 -9.187 -11.917 -0.754 290 HA2 GLY 49 HA2 GLY 49 -10.740 -12.993 1.504 291 HA3 GLY 49 HA1 GLY 49 -11.062 -13.574 -0.123 292 HA PRO 50 HA PRO 50 -7.742 -16.183 2.039 293 HB2 PRO 50 HB2 PRO 50 -9.558 -18.366 1.220 294 HB3 PRO 50 HB1 PRO 50 -8.764 -18.089 2.773 295 HG2 PRO 50 HG2 PRO 50 -11.393 -17.705 2.473 296 HG3 PRO 50 HG1 PRO 50 -10.417 -16.649 3.512 297 HD2 PRO 50 HD2 PRO 50 -11.448 -16.157 0.744 298 HD3 PRO 50 HD1 PRO 50 -11.366 -15.047 2.128 299 H GLY 51 HN GLY 51 -6.136 -16.156 0.571 300 HA2 GLY 51 HA2 GLY 51 -5.064 -17.596 -1.101 301 HA3 GLY 51 HA1 GLY 51 -6.597 -17.613 -1.958 302 H GLY 52 HN GLY 52 -5.688 -14.601 -0.588 303 HA2 GLY 52 HA2 GLY 52 -5.058 -12.608 -1.531 304 HA3 GLY 52 HA1 GLY 52 -4.016 -13.561 -2.576 305 H THR 53 HN THR 53 -7.551 -13.599 -2.372 306 HA THR 53 HA THR 53 -7.630 -12.842 -5.215 307 HB THR 53 HB THR 53 -9.935 -13.862 -5.178 308 HG1 THR 53 HG1 THR 53 -9.038 -14.889 -2.672 309 HG21 THR 53 HG21 THR 53 -8.583 -15.363 -6.193 310 HG22 THR 53 HG22 THR 53 -8.815 -16.278 -4.705 311 HG23 THR 53 HG23 THR 53 -7.369 -15.290 -4.916 312 H CYS 54 HN CYS 54 -10.111 -12.023 -5.628 313 HA CYS 54 HA CYS 54 -10.797 -10.012 -3.624 314 HB2 CYS 54 HB2 CYS 54 -9.883 -9.448 -6.421 315 HB3 CYS 54 HB1 CYS 54 -11.062 -8.384 -5.659 316 H ILE 55 HN ILE 55 -12.912 -9.858 -3.343 317 HA ILE 55 HA ILE 55 -14.714 -10.696 -5.514 318 HB ILE 55 HB ILE 55 -16.188 -11.551 -3.500 319 HG12 ILE 55 HG12 ILE 55 -13.469 -12.268 -2.438 320 HG13 ILE 55 HG11 ILE 55 -14.269 -10.788 -1.920 321 HG21 ILE 55 HG21 ILE 55 -15.892 -13.464 -4.584 322 HG22 ILE 55 HG22 ILE 55 -14.266 -13.630 -3.921 323 HG23 ILE 55 HG23 ILE 55 -14.520 -12.740 -5.423 324 HD11 ILE 55 HD11 ILE 55 -14.792 -12.376 -0.290 325 HD12 ILE 55 HD12 ILE 55 -15.127 -13.625 -1.490 326 HD13 ILE 55 HD13 ILE 55 -16.239 -12.270 -1.294 327 H SER 56 HN SER 56 -17.115 -10.202 -4.643 328 HA SER 56 HA SER 56 -17.264 -7.730 -3.146 329 HB2 SER 56 HB2 SER 56 -16.898 -6.599 -5.135 330 HB3 SER 56 HB1 SER 56 -17.655 -7.857 -6.112 331 HG SER 56 HG SER 56 -18.831 -5.767 -5.712 Start of MODEL 14 1 H1 ASP 1 HT1 ASP 1 4.586 15.150 -4.897 2 H2 ASP 1 HT2 ASP 1 6.151 14.793 -4.364 3 H3 ASP 1 HT3 ASP 1 5.152 15.799 -3.442 4 HA ASP 1 HA ASP 1 4.735 12.912 -3.970 5 HB2 ASP 1 HB2 ASP 1 4.888 13.179 -1.282 6 HB3 ASP 1 HB1 ASP 1 6.281 12.835 -2.303 7 H VAL 2 HN VAL 2 3.227 12.284 -1.851 8 HA VAL 2 HA VAL 2 0.785 13.842 -2.300 9 HB VAL 2 HB VAL 2 1.099 10.979 -1.398 10 HG11 VAL 2 HG11 VAL 2 -1.549 11.396 -2.087 11 HG12 VAL 2 HG12 VAL 2 -1.131 12.825 -1.143 12 HG13 VAL 2 HG13 VAL 2 -0.914 11.216 -0.453 13 HG21 VAL 2 HG21 VAL 2 -0.492 11.275 -3.719 14 HG22 VAL 2 HG22 VAL 2 1.076 10.483 -3.556 15 HG23 VAL 2 HG23 VAL 2 0.990 12.198 -3.962 16 H GLN 3 HN GLN 3 1.039 11.649 0.366 17 HA GLN 3 HA GLN 3 1.956 13.064 2.472 18 HB2 GLN 3 HB2 GLN 3 -0.443 14.321 1.486 19 HB3 GLN 3 HB1 GLN 3 -0.729 13.690 3.102 20 HG2 GLN 3 HG2 GLN 3 1.755 14.932 3.252 21 HG3 GLN 3 HG1 GLN 3 0.765 16.007 2.266 22 HE21 GLN 3 HE21 GLN 3 0.983 14.357 5.352 23 HE22 GLN 3 HE22 GLN 3 -0.069 15.424 6.212 24 H CYS 4 HN CYS 4 2.117 10.589 2.335 25 HA CYS 4 HA CYS 4 0.076 8.842 2.859 26 HB2 CYS 4 HB2 CYS 4 2.889 8.694 3.965 27 HB3 CYS 4 HB1 CYS 4 1.759 7.350 3.859 28 H GLY 5 HN GLY 5 1.909 10.727 5.236 29 HA2 GLY 5 HA2 GLY 5 0.750 11.597 7.177 30 HA3 GLY 5 HA1 GLY 5 -0.236 10.141 7.175 31 H GLY 6 HN GLY 6 3.221 10.945 7.192 32 HA2 GLY 6 HA2 GLY 6 3.862 10.078 9.724 33 HA3 GLY 6 HA1 GLY 6 3.930 8.639 8.713 34 H GLY 7 HN GLY 7 5.607 8.375 7.266 35 HA2 GLY 7 HA2 GLY 7 7.564 10.571 7.123 36 HA3 GLY 7 HA1 GLY 7 8.084 8.955 7.574 37 H PHE 8 HN PHE 8 5.716 8.325 5.442 38 HA PHE 8 HA PHE 8 7.653 8.039 3.277 39 HB2 PHE 8 HB2 PHE 8 5.253 6.616 4.132 40 HB3 PHE 8 HB1 PHE 8 5.318 6.878 2.395 41 HD1 PHE 8 HD1 PHE 8 7.277 5.532 5.243 42 HD2 PHE 8 HD2 PHE 8 6.640 5.531 1.036 43 HE1 PHE 8 HE1 PHE 8 8.832 3.638 5.013 44 HE2 PHE 8 HE2 PHE 8 8.193 3.637 0.797 45 HZ PHE 8 HZ PHE 8 9.291 2.688 2.788 46 H SER 9 HN SER 9 6.313 7.995 1.053 47 HA SER 9 HA SER 9 4.438 10.077 0.621 48 HB2 SER 9 HB2 SER 9 7.349 10.673 0.215 49 HB3 SER 9 HB1 SER 9 6.170 11.363 -0.900 50 HG SER 9 HG SER 9 6.806 12.177 1.558 51 H CYS 10 HN CYS 10 3.794 10.192 -1.627 52 HA CYS 10 HA CYS 10 5.065 8.319 -3.447 53 HB2 CYS 10 HB2 CYS 10 3.047 7.348 -1.921 54 HB3 CYS 10 HB1 CYS 10 2.150 7.934 -3.318 55 H HIS 11 HN HIS 11 3.335 8.199 -5.484 56 HA HIS 11 HA HIS 11 3.464 10.892 -6.503 57 HB2 HIS 11 HB2 HIS 11 2.757 8.255 -7.771 58 HB3 HIS 11 HB1 HIS 11 2.730 9.782 -8.648 59 HD1 HIS 11 HD1 HIS 11 5.164 11.120 -8.466 60 HD2 HIS 11 HD2 HIS 11 5.145 6.999 -7.926 61 HE1 HIS 11 HE1 HIS 11 7.537 10.381 -8.848 62 HE2 HIS 11 HE2 HIS 11 7.505 7.884 -8.511 63 H ASP 12 HN ASP 12 1.854 12.007 -7.535 64 HA ASP 12 HA ASP 12 -0.574 12.289 -6.203 65 HB2 ASP 12 HB2 ASP 12 0.717 13.768 -8.051 66 HB3 ASP 12 HB1 ASP 12 -0.535 13.063 -9.068 67 H GLY 13 HN GLY 13 -2.656 11.575 -6.573 68 HA2 GLY 13 HA2 GLY 13 -4.363 10.375 -7.630 69 HA3 GLY 13 HA1 GLY 13 -3.203 9.830 -8.832 70 H GLU 14 HN GLU 14 -1.624 9.310 -6.091 71 HA GLU 14 HA GLU 14 -2.575 6.526 -5.936 72 HB2 GLU 14 HB2 GLU 14 -0.439 5.881 -5.653 73 HB3 GLU 14 HB1 GLU 14 -0.032 7.488 -6.230 74 HG2 GLU 14 HG2 GLU 14 1.134 7.671 -4.352 75 HG3 GLU 14 HG1 GLU 14 -0.423 7.915 -3.563 76 H THR 15 HN THR 15 -2.296 5.506 -3.684 77 HA THR 15 HA THR 15 -3.075 7.379 -1.564 78 HB THR 15 HB THR 15 -4.422 4.723 -2.112 79 HG1 THR 15 HG1 THR 15 -4.923 6.722 -3.442 80 HG21 THR 15 HG21 THR 15 -4.224 6.315 0.265 81 HG22 THR 15 HG22 THR 15 -5.069 4.787 0.021 82 HG23 THR 15 HG23 THR 15 -5.894 6.311 -0.302 83 H CYS 16 HN CYS 16 -2.135 6.964 0.389 84 HA CYS 16 HA CYS 16 -0.165 4.822 0.445 85 HB2 CYS 16 HB2 CYS 16 -0.646 7.082 2.383 86 HB3 CYS 16 HB1 CYS 16 0.709 5.955 2.435 87 H CYS 17 HN CYS 17 -0.322 3.029 1.620 88 HA CYS 17 HA CYS 17 -2.562 2.810 3.514 89 HB2 CYS 17 HB2 CYS 17 -3.183 0.861 2.591 90 HB3 CYS 17 HB1 CYS 17 -2.172 1.322 1.229 91 HA PRO 18 HA PRO 18 0.747 1.985 6.387 92 HB2 PRO 18 HB2 PRO 18 -0.680 2.164 8.630 93 HB3 PRO 18 HB1 PRO 18 -0.398 3.591 7.626 94 HG2 PRO 18 HG2 PRO 18 -2.842 1.892 7.860 95 HG3 PRO 18 HG1 PRO 18 -2.710 3.650 7.676 96 HD2 PRO 18 HD2 PRO 18 -3.226 1.826 5.619 97 HD3 PRO 18 HD1 PRO 18 -2.686 3.500 5.408 98 H THR 19 HN THR 19 0.288 -0.308 5.155 99 HA THR 19 HA THR 19 -1.052 -2.278 6.724 100 HB THR 19 HB THR 19 -0.723 -2.475 4.264 101 HG1 THR 19 HG1 THR 19 -0.941 -4.550 4.596 102 HG21 THR 19 HG21 THR 19 1.376 -3.084 3.326 103 HG22 THR 19 HG22 THR 19 2.110 -3.270 4.920 104 HG23 THR 19 HG23 THR 19 1.672 -1.666 4.333 105 H SER 20 HN SER 20 1.592 -0.624 7.510 106 HA SER 20 HA SER 20 2.653 -2.824 9.114 107 HB2 SER 20 HB2 SER 20 4.322 -1.026 7.342 108 HB3 SER 20 HB1 SER 20 4.994 -2.037 8.622 109 HG SER 20 HG SER 20 3.400 -3.541 7.114 110 H GLN 21 HN GLN 21 4.505 -1.753 10.584 111 HA GLN 21 HA GLN 21 3.156 0.468 11.929 112 HB2 GLN 21 HB2 GLN 21 5.476 -0.480 13.343 113 HB3 GLN 21 HB1 GLN 21 3.789 -0.510 13.835 114 HG2 GLN 21 HG2 GLN 21 3.455 -2.652 13.029 115 HG3 GLN 21 HG1 GLN 21 4.842 -2.566 11.942 116 HE21 GLN 21 HE21 GLN 21 6.981 -2.292 13.094 117 HE22 GLN 21 HE22 GLN 21 7.228 -3.255 14.507 118 H THR 22 HN THR 22 6.127 -0.358 10.298 119 HA THR 22 HA THR 22 7.000 2.442 10.579 120 HB THR 22 HB THR 22 9.368 1.413 10.214 121 HG1 THR 22 HG1 THR 22 7.783 -0.805 10.708 122 HG21 THR 22 HG21 THR 22 8.845 2.584 12.225 123 HG22 THR 22 HG22 THR 22 9.583 1.052 12.695 124 HG23 THR 22 HG23 THR 22 7.835 1.261 12.806 125 H THR 23 HN THR 23 5.724 0.363 8.467 126 HA THR 23 HA THR 23 7.235 1.497 6.206 127 HB THR 23 HB THR 23 5.899 -1.021 5.584 128 HG1 THR 23 HG1 THR 23 6.939 -2.313 6.949 129 HG21 THR 23 HG21 THR 23 8.754 -1.012 5.256 130 HG22 THR 23 HG22 THR 23 8.079 0.519 4.696 131 HG23 THR 23 HG23 THR 23 7.493 -1.003 4.023 132 H TRP 24 HN TRP 24 6.096 2.223 4.470 133 HA TRP 24 HA TRP 24 3.149 2.198 4.693 134 HB2 TRP 24 HB2 TRP 24 5.091 4.367 4.041 135 HB3 TRP 24 HB1 TRP 24 3.560 4.367 3.179 136 HD1 TRP 24 HD1 TRP 24 5.092 5.158 6.536 137 HE1 TRP 24 HE1 TRP 24 3.302 6.209 8.060 138 HE3 TRP 24 HE3 TRP 24 0.978 4.280 3.661 139 HZ2 TRP 24 HZ2 TRP 24 0.507 6.606 8.040 140 HZ3 TRP 24 HZ3 TRP 24 -1.224 5.019 4.479 141 HH2 TRP 24 HH2 TRP 24 -1.449 6.163 6.622 142 H GLY 25 HN GLY 25 2.112 1.258 3.028 143 HA2 GLY 25 HA2 GLY 25 3.658 0.545 0.646 144 HA3 GLY 25 HA1 GLY 25 2.104 -0.129 1.108 145 H CYS 26 HN CYS 26 3.183 1.194 -1.403 146 HA CYS 26 HA CYS 26 1.385 3.483 -1.621 147 HB2 CYS 26 HB2 CYS 26 3.671 2.449 -3.247 148 HB3 CYS 26 HB1 CYS 26 2.476 3.485 -4.020 149 H CYS 27 HN CYS 27 -0.568 3.328 -2.445 150 HA CYS 27 HA CYS 27 -1.257 0.960 -4.055 151 HB2 CYS 27 HB2 CYS 27 -2.849 2.611 -2.107 152 HB3 CYS 27 HB1 CYS 27 -3.653 1.615 -3.315 153 HA PRO 28 HA PRO 28 -2.149 3.758 -7.377 154 HB2 PRO 28 HB2 PRO 28 -3.510 2.139 -9.020 155 HB3 PRO 28 HB1 PRO 28 -1.794 1.882 -8.680 156 HG2 PRO 28 HG2 PRO 28 -4.181 0.480 -7.550 157 HG3 PRO 28 HG1 PRO 28 -2.627 -0.196 -8.066 158 HD2 PRO 28 HD2 PRO 28 -3.300 0.351 -5.449 159 HD3 PRO 28 HD1 PRO 28 -1.637 0.253 -6.057 160 H SER 29 HN SER 29 -5.009 1.721 -6.692 161 HA SER 29 HA SER 29 -6.919 3.527 -7.607 162 HB2 SER 29 HB2 SER 29 -7.212 1.415 -5.459 163 HB3 SER 29 HB1 SER 29 -8.543 2.198 -6.311 164 HG SER 29 HG SER 29 -8.282 0.752 -7.797 165 HA PRO 30 HA PRO 30 -7.232 6.737 -4.614 166 HB2 PRO 30 HB2 PRO 30 -10.173 6.557 -4.824 167 HB3 PRO 30 HB1 PRO 30 -9.099 7.907 -5.202 168 HG2 PRO 30 HG2 PRO 30 -10.301 6.492 -7.134 169 HG3 PRO 30 HG1 PRO 30 -8.658 7.131 -7.333 170 HD2 PRO 30 HD2 PRO 30 -9.547 4.346 -6.696 171 HD3 PRO 30 HD1 PRO 30 -8.240 4.896 -7.766 172 H LYS 31 HN LYS 31 -10.401 5.611 -3.774 173 HA LYS 31 HA LYS 31 -9.613 5.295 -1.029 174 HB2 LYS 31 HB2 LYS 31 -12.208 5.203 -2.518 175 HB3 LYS 31 HB1 LYS 31 -12.128 4.587 -0.873 176 HG2 LYS 31 HG2 LYS 31 -10.994 6.907 -0.400 177 HG3 LYS 31 HG1 LYS 31 -11.848 7.372 -1.873 178 HD2 LYS 31 HD2 LYS 31 -13.959 6.733 -0.915 179 HD3 LYS 31 HD1 LYS 31 -13.157 6.065 0.508 180 HE2 LYS 31 HE2 LYS 31 -12.472 8.223 1.235 181 HE3 LYS 31 HE1 LYS 31 -12.951 8.958 -0.295 182 HZ1 LYS 31 HZ1 LYS 31 -14.822 7.706 1.643 183 HZ2 LYS 31 HZ2 LYS 31 -15.246 8.512 0.217 184 HZ3 LYS 31 HZ3 LYS 31 -14.550 9.370 1.498 185 H ALA 32 HN ALA 32 -8.387 3.389 -2.758 186 HA ALA 32 HA ALA 32 -9.634 0.875 -2.762 187 HB1 ALA 32 HB1 ALA 32 -6.689 1.000 -2.467 188 HB2 ALA 32 HB2 ALA 32 -7.403 1.800 -3.868 189 HB3 ALA 32 HB3 ALA 32 -7.681 0.080 -3.599 190 H VAL 33 HN VAL 33 -8.988 -1.022 -1.480 191 HA VAL 33 HA VAL 33 -8.609 -0.316 1.349 192 HB VAL 33 HB VAL 33 -9.581 -3.010 0.488 193 HG11 VAL 33 HG11 VAL 33 -9.668 -1.299 2.909 194 HG12 VAL 33 HG12 VAL 33 -9.380 -3.032 2.754 195 HG13 VAL 33 HG13 VAL 33 -11.021 -2.396 2.634 196 HG21 VAL 33 HG21 VAL 33 -10.973 -0.497 -0.011 197 HG22 VAL 33 HG22 VAL 33 -11.909 -1.630 0.966 198 HG23 VAL 33 HG23 VAL 33 -11.308 -2.120 -0.618 199 H CYS 34 HN CYS 34 -6.545 -0.584 1.949 200 HA CYS 34 HA CYS 34 -4.708 -2.215 0.553 201 HB2 CYS 34 HB2 CYS 34 -3.928 -0.277 1.734 202 HB3 CYS 34 HB1 CYS 34 -4.543 -0.890 3.265 203 H CYS 35 HN CYS 35 -4.910 -4.358 0.495 204 HA CYS 35 HA CYS 35 -6.154 -5.985 2.380 205 HB2 CYS 35 HB2 CYS 35 -3.946 -6.656 0.423 206 HB3 CYS 35 HB1 CYS 35 -4.853 -7.857 1.335 207 H ASP 36 HN ASP 36 -5.653 -6.075 4.437 208 HA ASP 36 HA ASP 36 -2.886 -5.795 5.307 209 HB2 ASP 36 HB2 ASP 36 -5.450 -5.102 6.398 210 HB3 ASP 36 HB1 ASP 36 -4.574 -6.113 7.544 211 H ASP 37 HN ASP 37 -5.110 -8.326 4.716 212 HA ASP 37 HA ASP 37 -4.569 -10.143 6.731 213 HB2 ASP 37 HB2 ASP 37 -5.792 -10.196 4.174 214 HB3 ASP 37 HB1 ASP 37 -4.628 -11.517 4.208 215 H MET 38 HN MET 38 -2.744 -9.379 3.824 216 HA MET 38 HA MET 38 -0.403 -10.699 5.001 217 HB2 MET 38 HB2 MET 38 -0.904 -10.797 2.038 218 HB3 MET 38 HB1 MET 38 0.200 -11.771 2.999 219 HG2 MET 38 HG2 MET 38 -1.375 -13.276 3.529 220 HG3 MET 38 HG1 MET 38 -2.637 -12.055 3.692 221 HE1 MET 38 HE1 MET 38 -4.629 -12.681 2.472 222 HE2 MET 38 HE2 MET 38 -4.719 -12.548 0.716 223 HE3 MET 38 HE3 MET 38 -4.145 -11.183 1.675 224 H GLN 39 HN GLN 39 -0.492 -9.319 1.783 225 HA GLN 39 HA GLN 39 0.377 -6.718 2.618 226 HB2 GLN 39 HB2 GLN 39 2.364 -8.661 2.298 227 HB3 GLN 39 HB1 GLN 39 2.396 -7.741 0.800 228 HG2 GLN 39 HG2 GLN 39 3.475 -6.086 1.788 229 HG3 GLN 39 HG1 GLN 39 2.215 -5.945 3.014 230 HE21 GLN 39 HE21 GLN 39 3.205 -5.841 4.902 231 HE22 GLN 39 HE22 GLN 39 4.439 -6.915 5.459 232 H HIS 40 HN HIS 40 -1.588 -6.264 1.348 233 HA HIS 40 HA HIS 40 -0.905 -5.926 -1.458 234 HB2 HIS 40 HB2 HIS 40 -2.079 -8.282 -0.848 235 HB3 HIS 40 HB1 HIS 40 -3.502 -7.293 -1.154 236 HD1 HIS 40 HD1 HIS 40 -4.234 -7.322 -3.504 237 HD2 HIS 40 HD2 HIS 40 -0.149 -8.000 -3.165 238 HE1 HIS 40 HE1 HIS 40 -3.424 -7.727 -5.850 239 HE2 HIS 40 HE2 HIS 40 -0.949 -8.141 -5.621 240 H CYS 41 HN CYS 41 -3.136 -5.303 -2.651 241 HA CYS 41 HA CYS 41 -4.644 -3.397 -1.033 242 HB2 CYS 41 HB2 CYS 41 -2.530 -2.431 -2.346 243 HB3 CYS 41 HB1 CYS 41 -3.670 -2.445 -3.688 244 H CYS 42 HN CYS 42 -6.704 -2.957 -1.855 245 HA CYS 42 HA CYS 42 -7.486 -4.510 -4.232 246 HB2 CYS 42 HB2 CYS 42 -8.521 -4.607 -1.499 247 HB3 CYS 42 HB1 CYS 42 -9.783 -4.348 -2.699 248 HA PRO 43 HA PRO 43 -8.657 -0.545 -5.902 249 HB2 PRO 43 HB2 PRO 43 -10.595 -2.336 -7.320 250 HB3 PRO 43 HB1 PRO 43 -9.582 -1.037 -7.968 251 HG2 PRO 43 HG2 PRO 43 -8.837 -3.540 -8.320 252 HG3 PRO 43 HG1 PRO 43 -7.636 -2.322 -7.843 253 HD2 PRO 43 HD2 PRO 43 -8.951 -4.435 -6.185 254 HD3 PRO 43 HD1 PRO 43 -7.276 -3.846 -6.142 255 H ALA 44 HN ALA 44 -9.945 0.910 -5.075 256 HA ALA 44 HA ALA 44 -11.782 0.658 -3.123 257 HB1 ALA 44 HB1 ALA 44 -11.803 2.669 -5.367 258 HB2 ALA 44 HB2 ALA 44 -11.018 2.823 -3.795 259 HB3 ALA 44 HB3 ALA 44 -12.778 2.807 -3.903 260 H GLY 45 HN GLY 45 -13.489 -0.620 -2.977 261 HA2 GLY 45 HA2 GLY 45 -15.866 -0.759 -3.616 262 HA3 GLY 45 HA1 GLY 45 -15.325 -0.743 -5.287 263 H TYR 46 HN TYR 46 -13.072 -2.587 -3.777 264 HA TYR 46 HA TYR 46 -14.646 -5.046 -4.178 265 HB2 TYR 46 HB2 TYR 46 -11.800 -4.409 -4.936 266 HB3 TYR 46 HB1 TYR 46 -12.358 -6.068 -4.761 267 HD1 TYR 46 HD1 TYR 46 -11.242 -4.798 -7.284 268 HD2 TYR 46 HD2 TYR 46 -15.229 -5.263 -5.871 269 HE1 TYR 46 HE1 TYR 46 -12.062 -4.765 -9.601 270 HE2 TYR 46 HE2 TYR 46 -16.058 -5.232 -8.184 271 HH TYR 46 HH TYR 46 -15.390 -4.479 -10.371 272 H LYS 47 HN LYS 47 -13.667 -6.967 -3.030 273 HA LYS 47 HA LYS 47 -12.629 -6.140 -0.396 274 HB2 LYS 47 HB2 LYS 47 -14.967 -6.931 -0.299 275 HB3 LYS 47 HB1 LYS 47 -14.473 -8.456 -1.021 276 HG2 LYS 47 HG2 LYS 47 -12.881 -7.879 1.303 277 HG3 LYS 47 HG1 LYS 47 -14.601 -7.823 1.690 278 HD2 LYS 47 HD2 LYS 47 -13.440 -10.088 0.106 279 HD3 LYS 47 HD1 LYS 47 -13.372 -10.081 1.869 280 HE2 LYS 47 HE2 LYS 47 -15.757 -10.208 0.066 281 HE3 LYS 47 HE1 LYS 47 -15.325 -11.257 1.415 282 HZ1 LYS 47 HZ1 LYS 47 -16.967 -10.001 2.350 283 HZ2 LYS 47 HZ2 LYS 47 -16.602 -8.616 1.449 284 HZ3 LYS 47 HZ3 LYS 47 -15.627 -9.052 2.760 285 H CYS 48 HN CYS 48 -11.094 -7.496 0.609 286 HA CYS 48 HA CYS 48 -9.545 -9.090 -1.273 287 HB2 CYS 48 HB2 CYS 48 -8.746 -7.305 0.584 288 HB3 CYS 48 HB1 CYS 48 -8.636 -8.783 1.533 289 H GLY 49 HN GLY 49 -9.691 -11.235 -1.361 290 HA2 GLY 49 HA2 GLY 49 -11.240 -12.650 0.643 291 HA3 GLY 49 HA1 GLY 49 -10.614 -13.317 -0.857 292 HA PRO 50 HA PRO 50 -7.990 -14.611 2.878 293 HB2 PRO 50 HB2 PRO 50 -9.009 -17.315 2.480 294 HB3 PRO 50 HB1 PRO 50 -9.017 -16.326 3.942 295 HG2 PRO 50 HG2 PRO 50 -11.274 -16.940 2.573 296 HG3 PRO 50 HG1 PRO 50 -11.081 -15.434 3.489 297 HD2 PRO 50 HD2 PRO 50 -10.850 -15.906 0.541 298 HD3 PRO 50 HD1 PRO 50 -11.595 -14.548 1.411 299 H GLY 51 HN GLY 51 -8.177 -15.009 -0.356 300 HA2 GLY 51 HA2 GLY 51 -6.045 -17.025 -0.514 301 HA3 GLY 51 HA1 GLY 51 -7.027 -16.468 -1.859 302 H GLY 52 HN GLY 52 -6.738 -13.658 -1.327 303 HA2 GLY 52 HA2 GLY 52 -4.771 -12.160 -1.032 304 HA3 GLY 52 HA1 GLY 52 -3.876 -13.333 -1.986 305 H THR 53 HN THR 53 -7.147 -12.654 -2.857 306 HA THR 53 HA THR 53 -6.246 -10.864 -5.010 307 HB THR 53 HB THR 53 -6.996 -12.168 -6.672 308 HG1 THR 53 HG1 THR 53 -9.151 -13.313 -5.277 309 HG21 THR 53 HG21 THR 53 -7.580 -14.515 -4.985 310 HG22 THR 53 HG22 THR 53 -5.986 -13.795 -4.762 311 HG23 THR 53 HG23 THR 53 -6.488 -14.349 -6.360 312 H CYS 54 HN CYS 54 -8.140 -9.757 -6.086 313 HA CYS 54 HA CYS 54 -9.953 -8.822 -3.992 314 HB2 CYS 54 HB2 CYS 54 -9.259 -7.676 -6.703 315 HB3 CYS 54 HB1 CYS 54 -10.433 -6.963 -5.602 316 H ILE 55 HN ILE 55 -11.971 -9.510 -3.902 317 HA ILE 55 HA ILE 55 -13.292 -10.393 -6.380 318 HB ILE 55 HB ILE 55 -14.522 -12.080 -4.967 319 HG12 ILE 55 HG12 ILE 55 -12.286 -12.103 -3.026 320 HG13 ILE 55 HG11 ILE 55 -13.446 -10.793 -2.843 321 HG21 ILE 55 HG21 ILE 55 -13.103 -13.611 -5.755 322 HG22 ILE 55 HG22 ILE 55 -11.780 -13.021 -4.748 323 HG23 ILE 55 HG23 ILE 55 -12.120 -12.252 -6.299 324 HD11 ILE 55 HD11 ILE 55 -14.370 -12.376 -1.490 325 HD12 ILE 55 HD12 ILE 55 -13.815 -13.718 -2.492 326 HD13 ILE 55 HD13 ILE 55 -15.191 -12.741 -3.008 327 H SER 56 HN SER 56 -15.718 -10.508 -6.094 328 HA SER 56 HA SER 56 -16.880 -8.811 -4.077 329 HB2 SER 56 HB2 SER 56 -17.909 -7.289 -5.866 330 HB3 SER 56 HB1 SER 56 -16.210 -7.022 -5.475 331 HG SER 56 HG SER 56 -17.318 -8.304 -7.736 Start of MODEL 15 1 H1 ASP 1 HT1 ASP 1 2.811 16.552 -3.833 2 H2 ASP 1 HT2 ASP 1 4.480 16.329 -3.994 3 H3 ASP 1 HT3 ASP 1 3.813 16.649 -2.473 4 HA ASP 1 HA ASP 1 3.364 14.214 -4.101 5 HB2 ASP 1 HB2 ASP 1 4.548 13.170 -2.089 6 HB3 ASP 1 HB1 ASP 1 5.548 14.120 -3.186 7 H VAL 2 HN VAL 2 2.812 12.516 -2.059 8 HA VAL 2 HA VAL 2 0.374 13.651 -0.849 9 HB VAL 2 HB VAL 2 0.624 10.728 -1.467 10 HG11 VAL 2 HG11 VAL 2 -1.703 12.631 -1.223 11 HG12 VAL 2 HG12 VAL 2 -1.203 11.417 -0.044 12 HG13 VAL 2 HG13 VAL 2 -1.834 10.917 -1.614 13 HG21 VAL 2 HG21 VAL 2 1.134 11.919 -3.561 14 HG22 VAL 2 HG22 VAL 2 -0.380 12.812 -3.405 15 HG23 VAL 2 HG23 VAL 2 -0.407 11.065 -3.637 16 H GLN 3 HN GLN 3 0.658 13.866 1.269 17 HA GLN 3 HA GLN 3 2.634 12.553 2.777 18 HB2 GLN 3 HB2 GLN 3 0.111 13.890 3.770 19 HB3 GLN 3 HB1 GLN 3 1.537 13.529 4.732 20 HG2 GLN 3 HG2 GLN 3 2.844 15.114 3.541 21 HG3 GLN 3 HG1 GLN 3 1.579 15.340 2.334 22 HE21 GLN 3 HE21 GLN 3 2.883 17.318 4.002 23 HE22 GLN 3 HE22 GLN 3 1.635 18.083 4.921 24 H CYS 4 HN CYS 4 2.537 10.349 2.639 25 HA CYS 4 HA CYS 4 0.353 8.687 2.708 26 HB2 CYS 4 HB2 CYS 4 3.200 8.358 3.569 27 HB3 CYS 4 HB1 CYS 4 2.049 7.068 3.898 28 H GLY 5 HN GLY 5 2.015 10.186 5.421 29 HA2 GLY 5 HA2 GLY 5 0.144 10.553 7.221 30 HA3 GLY 5 HA1 GLY 5 0.257 8.801 7.312 31 H GLY 6 HN GLY 6 2.364 7.868 7.891 32 HA2 GLY 6 HA2 GLY 6 3.456 9.109 10.168 33 HA3 GLY 6 HA1 GLY 6 4.136 7.718 9.332 34 H GLY 7 HN GLY 7 5.222 8.336 7.156 35 HA2 GLY 7 HA2 GLY 7 6.335 10.980 7.013 36 HA3 GLY 7 HA1 GLY 7 7.481 9.804 7.631 37 H PHE 8 HN PHE 8 5.287 8.426 5.400 38 HA PHE 8 HA PHE 8 7.427 8.391 3.400 39 HB2 PHE 8 HB2 PHE 8 5.045 6.657 3.937 40 HB3 PHE 8 HB1 PHE 8 5.780 6.658 2.338 41 HD1 PHE 8 HD1 PHE 8 7.289 4.989 1.940 42 HD2 PHE 8 HD2 PHE 8 6.916 6.512 5.896 43 HE1 PHE 8 HE1 PHE 8 8.974 3.372 2.717 44 HE2 PHE 8 HE2 PHE 8 8.602 4.901 6.680 45 HZ PHE 8 HZ PHE 8 9.632 3.328 5.090 46 H SER 9 HN SER 9 6.399 8.140 1.053 47 HA SER 9 HA SER 9 4.144 9.835 0.535 48 HB2 SER 9 HB2 SER 9 5.178 11.702 -0.397 49 HB3 SER 9 HB1 SER 9 6.211 11.364 0.991 50 HG SER 9 HG SER 9 7.358 11.731 -1.004 51 H CYS 10 HN CYS 10 3.619 9.964 -1.741 52 HA CYS 10 HA CYS 10 5.082 8.211 -3.537 53 HB2 CYS 10 HB2 CYS 10 2.657 7.407 -2.191 54 HB3 CYS 10 HB1 CYS 10 2.425 7.435 -3.935 55 H HIS 11 HN HIS 11 3.372 8.056 -5.646 56 HA HIS 11 HA HIS 11 3.409 10.784 -6.577 57 HB2 HIS 11 HB2 HIS 11 2.715 8.199 -7.968 58 HB3 HIS 11 HB1 HIS 11 2.786 9.768 -8.765 59 HD1 HIS 11 HD1 HIS 11 5.022 10.500 -9.600 60 HD2 HIS 11 HD2 HIS 11 5.296 7.344 -6.913 61 HE1 HIS 11 HE1 HIS 11 7.437 9.801 -9.630 62 HE2 HIS 11 HE2 HIS 11 7.594 7.940 -7.940 63 H ASP 12 HN ASP 12 1.750 11.893 -7.537 64 HA ASP 12 HA ASP 12 -0.661 12.056 -6.191 65 HB2 ASP 12 HB2 ASP 12 -1.427 13.519 -7.958 66 HB3 ASP 12 HB1 ASP 12 0.284 13.824 -7.675 67 H GLY 13 HN GLY 13 -2.664 11.172 -6.406 68 HA2 GLY 13 HA2 GLY 13 -4.389 9.970 -7.458 69 HA3 GLY 13 HA1 GLY 13 -3.252 9.466 -8.699 70 H GLU 14 HN GLU 14 -1.600 8.947 -5.971 71 HA GLU 14 HA GLU 14 -2.291 6.107 -5.970 72 HB2 GLU 14 HB2 GLU 14 -0.233 5.719 -4.906 73 HB3 GLU 14 HB1 GLU 14 0.096 7.023 -6.040 74 HG2 GLU 14 HG2 GLU 14 1.134 7.837 -4.192 75 HG3 GLU 14 HG1 GLU 14 -0.469 8.531 -3.969 76 H THR 15 HN THR 15 -2.063 5.022 -3.728 77 HA THR 15 HA THR 15 -3.463 6.559 -1.657 78 HB THR 15 HB THR 15 -4.105 3.739 -2.564 79 HG1 THR 15 HG1 THR 15 -5.789 6.030 -2.361 80 HG21 THR 15 HG21 THR 15 -5.088 3.295 -0.602 81 HG22 THR 15 HG22 THR 15 -5.813 4.900 -0.505 82 HG23 THR 15 HG23 THR 15 -4.154 4.646 0.039 83 H CYS 16 HN CYS 16 -2.465 6.400 0.288 84 HA CYS 16 HA CYS 16 -0.191 4.594 0.494 85 HB2 CYS 16 HB2 CYS 16 -1.137 6.844 2.274 86 HB3 CYS 16 HB1 CYS 16 0.300 5.872 2.583 87 H CYS 17 HN CYS 17 -0.216 2.734 1.563 88 HA CYS 17 HA CYS 17 -2.354 2.297 3.546 89 HB2 CYS 17 HB2 CYS 17 -3.143 0.659 2.248 90 HB3 CYS 17 HB1 CYS 17 -1.822 0.867 1.110 91 HA PRO 18 HA PRO 18 1.199 1.278 6.069 92 HB2 PRO 18 HB2 PRO 18 -0.031 1.212 8.426 93 HB3 PRO 18 HB1 PRO 18 0.124 2.737 7.542 94 HG2 PRO 18 HG2 PRO 18 -2.238 0.911 7.761 95 HG3 PRO 18 HG1 PRO 18 -2.181 2.681 7.839 96 HD2 PRO 18 HD2 PRO 18 -2.843 1.219 5.582 97 HD3 PRO 18 HD1 PRO 18 -2.252 2.892 5.568 98 H THR 19 HN THR 19 1.750 -0.804 5.397 99 HA THR 19 HA THR 19 0.095 -3.050 6.211 100 HB THR 19 HB THR 19 1.126 -4.287 4.617 101 HG1 THR 19 HG1 THR 19 3.523 -3.403 4.141 102 HG21 THR 19 HG21 THR 19 2.346 -1.866 3.420 103 HG22 THR 19 HG22 THR 19 0.614 -1.807 3.752 104 HG23 THR 19 HG23 THR 19 1.270 -3.064 2.702 105 H SER 20 HN SER 20 2.331 -1.263 7.797 106 HA SER 20 HA SER 20 2.953 -3.469 9.576 107 HB2 SER 20 HB2 SER 20 4.805 -3.139 7.741 108 HB3 SER 20 HB1 SER 20 5.271 -1.762 8.742 109 HG SER 20 HG SER 20 5.190 -4.500 9.445 110 H GLN 21 HN GLN 21 4.943 -2.063 11.050 111 HA GLN 21 HA GLN 21 3.316 -0.516 12.749 112 HB2 GLN 21 HB2 GLN 21 6.077 0.192 13.105 113 HB3 GLN 21 HB1 GLN 21 5.037 -0.757 14.155 114 HG2 GLN 21 HG2 GLN 21 5.809 -2.748 13.360 115 HG3 GLN 21 HG1 GLN 21 6.200 -2.090 11.771 116 HE21 GLN 21 HE21 GLN 21 7.156 -1.652 15.163 117 HE22 GLN 21 HE22 GLN 21 8.852 -1.554 14.850 118 H THR 22 HN THR 22 5.654 0.370 10.252 119 HA THR 22 HA THR 22 4.464 3.046 10.183 120 HB THR 22 HB THR 22 6.410 3.532 11.417 121 HG1 THR 22 HG1 THR 22 6.094 4.564 9.138 122 HG21 THR 22 HG21 THR 22 8.494 2.552 11.191 123 HG22 THR 22 HG22 THR 22 8.226 2.129 9.499 124 HG23 THR 22 HG23 THR 22 7.423 1.214 10.775 125 H THR 23 HN THR 23 6.636 0.731 8.611 126 HA THR 23 HA THR 23 7.132 1.645 6.171 127 HB THR 23 HB THR 23 5.890 -1.080 6.584 128 HG1 THR 23 HG1 THR 23 7.611 -1.318 7.806 129 HG21 THR 23 HG21 THR 23 7.957 -0.284 4.546 130 HG22 THR 23 HG22 THR 23 6.227 -0.206 4.210 131 HG23 THR 23 HG23 THR 23 6.980 -1.751 4.603 132 H TRP 24 HN TRP 24 6.080 2.616 4.582 133 HA TRP 24 HA TRP 24 3.168 2.268 4.400 134 HB2 TRP 24 HB2 TRP 24 5.004 4.549 3.761 135 HB3 TRP 24 HB1 TRP 24 3.431 4.441 2.976 136 HD1 TRP 24 HD1 TRP 24 5.058 5.431 6.223 137 HE1 TRP 24 HE1 TRP 24 3.254 6.233 7.876 138 HE3 TRP 24 HE3 TRP 24 0.914 3.996 3.635 139 HZ2 TRP 24 HZ2 TRP 24 0.432 6.251 8.050 140 HZ3 TRP 24 HZ3 TRP 24 -1.303 4.432 4.603 141 HH2 TRP 24 HH2 TRP 24 -1.535 5.536 6.763 142 H GLY 25 HN GLY 25 2.215 1.548 2.579 143 HA2 GLY 25 HA2 GLY 25 3.997 0.850 0.336 144 HA3 GLY 25 HA1 GLY 25 2.555 -0.048 0.780 145 H CYS 26 HN CYS 26 3.385 1.213 -1.765 146 HA CYS 26 HA CYS 26 1.460 3.359 -2.149 147 HB2 CYS 26 HB2 CYS 26 3.916 2.912 -3.224 148 HB3 CYS 26 HB1 CYS 26 2.884 2.253 -4.489 149 H CYS 27 HN CYS 27 -0.579 2.808 -2.449 150 HA CYS 27 HA CYS 27 -1.211 0.405 -4.027 151 HB2 CYS 27 HB2 CYS 27 -2.866 1.829 -1.935 152 HB3 CYS 27 HB1 CYS 27 -3.367 0.395 -2.826 153 HA PRO 28 HA PRO 28 -3.247 3.063 -6.945 154 HB2 PRO 28 HB2 PRO 28 -4.644 1.268 -8.339 155 HB3 PRO 28 HB1 PRO 28 -2.876 1.250 -8.346 156 HG2 PRO 28 HG2 PRO 28 -4.785 -0.499 -6.860 157 HG3 PRO 28 HG1 PRO 28 -3.248 -0.918 -7.633 158 HD2 PRO 28 HD2 PRO 28 -3.615 -0.432 -4.913 159 HD3 PRO 28 HD1 PRO 28 -2.059 -0.410 -5.763 160 H SER 29 HN SER 29 -5.690 2.881 -8.067 161 HA SER 29 HA SER 29 -7.894 3.371 -7.826 162 HB2 SER 29 HB2 SER 29 -7.389 1.312 -5.838 163 HB3 SER 29 HB1 SER 29 -8.684 2.400 -5.336 164 HG SER 29 HG SER 29 -8.585 0.602 -7.444 165 HA PRO 30 HA PRO 30 -8.198 7.189 -5.662 166 HB2 PRO 30 HB2 PRO 30 -11.030 6.537 -5.073 167 HB3 PRO 30 HB1 PRO 30 -10.348 7.920 -5.934 168 HG2 PRO 30 HG2 PRO 30 -11.605 5.972 -7.252 169 HG3 PRO 30 HG1 PRO 30 -10.167 6.758 -7.930 170 HD2 PRO 30 HD2 PRO 30 -10.422 4.089 -6.602 171 HD3 PRO 30 HD1 PRO 30 -9.448 4.561 -8.012 172 H LYS 31 HN LYS 31 -10.335 4.854 -3.987 173 HA LYS 31 HA LYS 31 -9.388 5.873 -1.418 174 HB2 LYS 31 HB2 LYS 31 -11.624 3.968 -2.135 175 HB3 LYS 31 HB1 LYS 31 -11.191 4.396 -0.485 176 HG2 LYS 31 HG2 LYS 31 -12.388 6.256 -0.586 177 HG3 LYS 31 HG1 LYS 31 -11.569 6.767 -2.064 178 HD2 LYS 31 HD2 LYS 31 -13.540 4.605 -2.394 179 HD3 LYS 31 HD1 LYS 31 -14.206 6.165 -1.909 180 HE2 LYS 31 HE2 LYS 31 -13.410 7.233 -3.829 181 HE3 LYS 31 HE1 LYS 31 -12.258 5.945 -4.177 182 HZ1 LYS 31 HZ1 LYS 31 -14.771 6.243 -5.247 183 HZ2 LYS 31 HZ2 LYS 31 -14.925 4.961 -4.154 184 HZ3 LYS 31 HZ3 LYS 31 -13.767 4.887 -5.385 185 H ALA 32 HN ALA 32 -10.138 2.641 -2.680 186 HA ALA 32 HA ALA 32 -9.094 0.639 -2.535 187 HB1 ALA 32 HB1 ALA 32 -6.670 0.585 -2.564 188 HB2 ALA 32 HB2 ALA 32 -6.611 2.283 -2.088 189 HB3 ALA 32 HB3 ALA 32 -7.277 1.829 -3.656 190 H VAL 33 HN VAL 33 -9.106 -0.841 -1.000 191 HA VAL 33 HA VAL 33 -8.717 -0.008 1.783 192 HB VAL 33 HB VAL 33 -9.661 -2.735 0.947 193 HG11 VAL 33 HG11 VAL 33 -10.960 -1.512 3.211 194 HG12 VAL 33 HG12 VAL 33 -9.205 -1.475 3.394 195 HG13 VAL 33 HG13 VAL 33 -10.033 -3.009 3.121 196 HG21 VAL 33 HG21 VAL 33 -11.807 -0.864 1.550 197 HG22 VAL 33 HG22 VAL 33 -11.669 -2.049 0.251 198 HG23 VAL 33 HG23 VAL 33 -10.937 -0.455 0.071 199 H CYS 34 HN CYS 34 -6.841 -0.464 2.780 200 HA CYS 34 HA CYS 34 -4.817 -1.953 1.434 201 HB2 CYS 34 HB2 CYS 34 -4.138 -0.085 2.740 202 HB3 CYS 34 HB1 CYS 34 -4.943 -0.703 4.174 203 H CYS 35 HN CYS 35 -5.040 -4.082 1.246 204 HA CYS 35 HA CYS 35 -6.300 -5.813 3.060 205 HB2 CYS 35 HB2 CYS 35 -5.546 -6.208 0.589 206 HB3 CYS 35 HB1 CYS 35 -4.026 -6.718 1.315 207 H ASP 36 HN ASP 36 -5.725 -6.142 5.064 208 HA ASP 36 HA ASP 36 -2.929 -5.850 5.865 209 HB2 ASP 36 HB2 ASP 36 -5.543 -5.668 7.297 210 HB3 ASP 36 HB1 ASP 36 -4.091 -6.058 8.216 211 H ASP 37 HN ASP 37 -5.148 -8.362 5.196 212 HA ASP 37 HA ASP 37 -4.527 -10.278 7.106 213 HB2 ASP 37 HB2 ASP 37 -6.105 -10.284 4.938 214 HB3 ASP 37 HB1 ASP 37 -4.736 -11.171 4.274 215 H MET 38 HN MET 38 -2.831 -9.322 4.187 216 HA MET 38 HA MET 38 -0.440 -10.714 5.166 217 HB2 MET 38 HB2 MET 38 -1.745 -10.910 2.490 218 HB3 MET 38 HB1 MET 38 0.013 -10.910 2.547 219 HG2 MET 38 HG2 MET 38 -1.023 -12.719 4.511 220 HG3 MET 38 HG1 MET 38 -1.729 -13.071 2.935 221 HE1 MET 38 HE1 MET 38 1.389 -13.151 0.720 222 HE2 MET 38 HE2 MET 38 -0.318 -12.743 0.882 223 HE3 MET 38 HE3 MET 38 0.184 -14.433 0.833 224 H GLN 39 HN GLN 39 -0.550 -9.070 2.096 225 HA GLN 39 HA GLN 39 0.250 -6.524 3.144 226 HB2 GLN 39 HB2 GLN 39 2.411 -6.617 1.706 227 HB3 GLN 39 HB1 GLN 39 2.427 -7.350 3.305 228 HG2 GLN 39 HG2 GLN 39 1.591 -9.366 1.557 229 HG3 GLN 39 HG1 GLN 39 2.922 -8.543 0.745 230 HE21 GLN 39 HE21 GLN 39 4.943 -8.381 1.861 231 HE22 GLN 39 HE22 GLN 39 5.382 -9.568 3.039 232 H HIS 40 HN HIS 40 -1.709 -6.004 1.904 233 HA HIS 40 HA HIS 40 -1.035 -5.343 -0.829 234 HB2 HIS 40 HB2 HIS 40 -2.291 -7.842 -0.324 235 HB3 HIS 40 HB1 HIS 40 -3.458 -6.803 -1.134 236 HD1 HIS 40 HD1 HIS 40 -2.131 -9.320 -2.459 237 HD2 HIS 40 HD2 HIS 40 -0.903 -5.385 -2.991 238 HE1 HIS 40 HE1 HIS 40 -0.906 -9.288 -4.656 239 HE2 HIS 40 HE2 HIS 40 -0.219 -6.886 -4.983 240 H CYS 41 HN CYS 41 -3.336 -4.882 -2.010 241 HA CYS 41 HA CYS 41 -5.144 -3.419 -0.279 242 HB2 CYS 41 HB2 CYS 41 -4.516 -1.633 -2.405 243 HB3 CYS 41 HB1 CYS 41 -4.316 -1.382 -0.674 244 H CYS 42 HN CYS 42 -7.132 -2.929 -1.300 245 HA CYS 42 HA CYS 42 -7.519 -4.242 -3.906 246 HB2 CYS 42 HB2 CYS 42 -8.591 -5.112 -1.584 247 HB3 CYS 42 HB1 CYS 42 -9.841 -3.978 -2.084 248 HA PRO 43 HA PRO 43 -8.908 -0.509 -5.790 249 HB2 PRO 43 HB2 PRO 43 -11.328 -2.118 -6.503 250 HB3 PRO 43 HB1 PRO 43 -10.333 -1.072 -7.524 251 HG2 PRO 43 HG2 PRO 43 -10.061 -3.714 -7.632 252 HG3 PRO 43 HG1 PRO 43 -8.644 -2.651 -7.724 253 HD2 PRO 43 HD2 PRO 43 -9.582 -4.364 -5.484 254 HD3 PRO 43 HD1 PRO 43 -7.933 -3.881 -5.926 255 H ALA 44 HN ALA 44 -10.410 1.170 -5.572 256 HA ALA 44 HA ALA 44 -11.607 1.432 -3.035 257 HB1 ALA 44 HB1 ALA 44 -11.204 3.084 -5.372 258 HB2 ALA 44 HB2 ALA 44 -11.331 3.545 -3.675 259 HB3 ALA 44 HB3 ALA 44 -12.788 3.361 -4.650 260 H GLY 45 HN GLY 45 -13.130 -0.138 -2.631 261 HA2 GLY 45 HA2 GLY 45 -15.600 -0.198 -2.561 262 HA3 GLY 45 HA1 GLY 45 -15.560 -0.013 -4.308 263 H TYR 46 HN TYR 46 -13.059 -1.983 -3.230 264 HA TYR 46 HA TYR 46 -14.614 -4.397 -3.892 265 HB2 TYR 46 HB2 TYR 46 -11.747 -3.656 -4.455 266 HB3 TYR 46 HB1 TYR 46 -12.280 -5.331 -4.470 267 HD1 TYR 46 HD1 TYR 46 -12.093 -5.942 -6.709 268 HD2 TYR 46 HD2 TYR 46 -14.093 -2.321 -5.718 269 HE1 TYR 46 HE1 TYR 46 -12.806 -5.702 -9.050 270 HE2 TYR 46 HE2 TYR 46 -14.814 -2.072 -8.055 271 HH TYR 46 HH TYR 46 -13.926 -4.475 -10.518 272 H LYS 47 HN LYS 47 -13.503 -6.426 -2.969 273 HA LYS 47 HA LYS 47 -12.657 -5.888 -0.199 274 HB2 LYS 47 HB2 LYS 47 -15.024 -6.933 -0.717 275 HB3 LYS 47 HB1 LYS 47 -14.092 -8.410 -0.918 276 HG2 LYS 47 HG2 LYS 47 -13.335 -7.041 1.500 277 HG3 LYS 47 HG1 LYS 47 -15.072 -7.345 1.455 278 HD2 LYS 47 HD2 LYS 47 -13.178 -9.530 0.709 279 HD3 LYS 47 HD1 LYS 47 -13.434 -9.151 2.413 280 HE2 LYS 47 HE2 LYS 47 -15.715 -9.648 0.522 281 HE3 LYS 47 HE1 LYS 47 -14.906 -10.960 1.379 282 HZ1 LYS 47 HZ1 LYS 47 -16.925 -9.282 2.321 283 HZ2 LYS 47 HZ2 LYS 47 -15.531 -8.932 3.214 284 HZ3 LYS 47 HZ3 LYS 47 -16.121 -10.515 3.155 285 H CYS 48 HN CYS 48 -11.032 -7.193 0.663 286 HA CYS 48 HA CYS 48 -9.402 -8.556 -1.328 287 HB2 CYS 48 HB2 CYS 48 -8.503 -6.867 0.385 288 HB3 CYS 48 HB1 CYS 48 -8.707 -8.147 1.578 289 H GLY 49 HN GLY 49 -9.428 -10.693 -1.567 290 HA2 GLY 49 HA2 GLY 49 -10.932 -12.317 0.308 291 HA3 GLY 49 HA1 GLY 49 -10.248 -12.849 -1.220 292 HA PRO 50 HA PRO 50 -7.477 -14.102 2.408 293 HB2 PRO 50 HB2 PRO 50 -8.336 -16.592 2.960 294 HB3 PRO 50 HB1 PRO 50 -9.065 -15.168 3.710 295 HG2 PRO 50 HG2 PRO 50 -10.063 -16.842 1.453 296 HG3 PRO 50 HG1 PRO 50 -10.967 -16.084 2.773 297 HD2 PRO 50 HD2 PRO 50 -10.768 -15.075 0.203 298 HD3 PRO 50 HD1 PRO 50 -11.186 -14.116 1.635 299 H GLY 51 HN GLY 51 -6.242 -13.953 0.327 300 HA2 GLY 51 HA2 GLY 51 -4.561 -14.991 -0.909 301 HA3 GLY 51 HA1 GLY 51 -5.157 -16.560 -0.356 302 H GLY 52 HN GLY 52 -7.924 -15.818 -1.175 303 HA2 GLY 52 HA2 GLY 52 -8.042 -16.977 -3.682 304 HA3 GLY 52 HA1 GLY 52 -9.255 -15.854 -3.063 305 H THR 53 HN THR 53 -8.880 -13.547 -3.345 306 HA THR 53 HA THR 53 -6.853 -12.310 -4.619 307 HB THR 53 HB THR 53 -8.196 -12.006 -6.941 308 HG1 THR 53 HG1 THR 53 -9.650 -13.635 -6.813 309 HG21 THR 53 HG21 THR 53 -5.978 -12.354 -7.257 310 HG22 THR 53 HG22 THR 53 -6.491 -14.007 -7.602 311 HG23 THR 53 HG23 THR 53 -5.888 -13.587 -5.990 312 H CYS 54 HN CYS 54 -8.016 -10.312 -6.105 313 HA CYS 54 HA CYS 54 -9.664 -9.061 -4.067 314 HB2 CYS 54 HB2 CYS 54 -7.951 -8.154 -6.251 315 HB3 CYS 54 HB1 CYS 54 -9.471 -7.267 -6.175 316 H ILE 55 HN ILE 55 -11.800 -8.888 -4.137 317 HA ILE 55 HA ILE 55 -13.169 -9.593 -6.651 318 HB ILE 55 HB ILE 55 -15.107 -10.040 -4.891 319 HG12 ILE 55 HG12 ILE 55 -12.561 -10.538 -3.323 320 HG13 ILE 55 HG11 ILE 55 -13.800 -9.349 -2.937 321 HG21 ILE 55 HG21 ILE 55 -13.940 -12.439 -4.705 322 HG22 ILE 55 HG22 ILE 55 -12.933 -11.732 -5.969 323 HG23 ILE 55 HG23 ILE 55 -14.680 -11.846 -6.192 324 HD11 ILE 55 HD11 ILE 55 -13.628 -11.836 -1.861 325 HD12 ILE 55 HD12 ILE 55 -14.799 -12.090 -3.158 326 HD13 ILE 55 HD13 ILE 55 -15.098 -10.862 -1.929 327 H SER 56 HN SER 56 -15.154 -8.541 -7.142 328 HA SER 56 HA SER 56 -15.152 -5.751 -6.376 329 HB2 SER 56 HB2 SER 56 -17.056 -5.624 -8.053 330 HB3 SER 56 HB1 SER 56 -15.506 -6.164 -8.701 331 HG SER 56 HG SER 56 -16.690 -8.339 -7.930 Start of MODEL 16 1 H1 ASP 1 HT1 ASP 1 -1.895 14.690 -3.366 2 H2 ASP 1 HT2 ASP 1 -2.711 13.740 -4.504 3 H3 ASP 1 HT3 ASP 1 -1.756 15.038 -5.017 4 HA ASP 1 HA ASP 1 -0.541 13.065 -5.415 5 HB2 ASP 1 HB2 ASP 1 1.065 13.625 -3.150 6 HB3 ASP 1 HB1 ASP 1 1.288 14.184 -4.798 7 H VAL 2 HN VAL 2 -0.139 13.136 -2.056 8 HA VAL 2 HA VAL 2 -1.487 10.643 -1.566 9 HB VAL 2 HB VAL 2 1.479 10.798 -1.741 10 HG11 VAL 2 HG11 VAL 2 0.172 8.770 0.054 11 HG12 VAL 2 HG12 VAL 2 0.928 10.242 0.666 12 HG13 VAL 2 HG13 VAL 2 1.895 9.051 -0.204 13 HG21 VAL 2 HG21 VAL 2 0.054 8.268 -2.108 14 HG22 VAL 2 HG22 VAL 2 1.225 9.078 -3.149 15 HG23 VAL 2 HG23 VAL 2 -0.468 9.569 -3.177 16 H GLN 3 HN GLN 3 -1.302 9.980 0.786 17 HA GLN 3 HA GLN 3 -0.437 11.938 2.684 18 HB2 GLN 3 HB2 GLN 3 -3.276 11.825 1.865 19 HB3 GLN 3 HB1 GLN 3 -2.979 11.816 3.601 20 HG2 GLN 3 HG2 GLN 3 -1.473 13.846 3.139 21 HG3 GLN 3 HG1 GLN 3 -2.314 13.929 1.591 22 HE21 GLN 3 HE21 GLN 3 -3.591 12.988 4.742 23 HE22 GLN 3 HE22 GLN 3 -4.746 14.267 4.857 24 H CYS 4 HN CYS 4 0.673 9.815 2.967 25 HA CYS 4 HA CYS 4 -0.525 7.474 3.788 26 HB2 CYS 4 HB2 CYS 4 1.999 8.348 5.130 27 HB3 CYS 4 HB1 CYS 4 1.571 6.774 4.470 28 H GLY 5 HN GLY 5 0.810 9.944 5.976 29 HA2 GLY 5 HA2 GLY 5 -1.419 9.686 7.772 30 HA3 GLY 5 HA1 GLY 5 0.039 8.927 8.384 31 H GLY 6 HN GLY 6 1.843 10.811 7.177 32 HA2 GLY 6 HA2 GLY 6 1.532 13.452 7.552 33 HA3 GLY 6 HA1 GLY 6 1.666 12.870 9.204 34 H GLY 7 HN GLY 7 3.514 10.656 8.113 35 HA2 GLY 7 HA2 GLY 7 5.915 12.335 8.208 36 HA3 GLY 7 HA1 GLY 7 5.832 10.636 8.642 37 H PHE 8 HN PHE 8 4.547 9.582 6.354 38 HA PHE 8 HA PHE 8 6.713 9.980 4.405 39 HB2 PHE 8 HB2 PHE 8 4.858 7.678 4.957 40 HB3 PHE 8 HB1 PHE 8 5.764 7.785 3.452 41 HD1 PHE 8 HD1 PHE 8 7.735 6.631 3.367 42 HD2 PHE 8 HD2 PHE 8 6.408 8.150 7.115 43 HE1 PHE 8 HE1 PHE 8 9.690 5.619 4.466 44 HE2 PHE 8 HE2 PHE 8 8.360 7.142 8.221 45 HZ PHE 8 HZ PHE 8 10.005 5.874 6.896 46 H SER 9 HN SER 9 5.934 9.387 2.078 47 HA SER 9 HA SER 9 3.285 10.317 1.417 48 HB2 SER 9 HB2 SER 9 4.089 12.147 -0.069 49 HB3 SER 9 HB1 SER 9 4.402 12.466 1.639 50 HG SER 9 HG SER 9 6.289 12.913 0.642 51 H CYS 10 HN CYS 10 3.230 10.585 -1.128 52 HA CYS 10 HA CYS 10 5.019 8.800 -2.516 53 HB2 CYS 10 HB2 CYS 10 2.337 7.916 -1.681 54 HB3 CYS 10 HB1 CYS 10 2.694 7.662 -3.385 55 H HIS 11 HN HIS 11 3.793 8.452 -4.881 56 HA HIS 11 HA HIS 11 3.639 11.175 -5.831 57 HB2 HIS 11 HB2 HIS 11 4.355 8.622 -6.945 58 HB3 HIS 11 HB1 HIS 11 3.150 9.397 -7.968 59 HD1 HIS 11 HD1 HIS 11 4.013 12.304 -7.822 60 HD2 HIS 11 HD2 HIS 11 6.685 9.148 -8.233 61 HE1 HIS 11 HE1 HIS 11 6.079 13.302 -8.850 62 HE2 HIS 11 HE2 HIS 11 7.710 11.389 -9.017 63 H ASP 12 HN ASP 12 2.045 11.774 -7.467 64 HA ASP 12 HA ASP 12 -0.552 11.709 -6.422 65 HB2 ASP 12 HB2 ASP 12 -1.242 12.753 -8.561 66 HB3 ASP 12 HB1 ASP 12 0.183 13.522 -7.871 67 H GLY 13 HN GLY 13 -2.105 10.239 -6.518 68 HA2 GLY 13 HA2 GLY 13 -3.512 8.757 -7.765 69 HA3 GLY 13 HA1 GLY 13 -2.137 8.370 -8.785 70 H GLU 14 HN GLU 14 -0.498 8.146 -6.133 71 HA GLU 14 HA GLU 14 -1.090 5.321 -5.827 72 HB2 GLU 14 HB2 GLU 14 1.049 6.645 -4.236 73 HB3 GLU 14 HB1 GLU 14 1.044 5.072 -5.021 74 HG2 GLU 14 HG2 GLU 14 1.033 7.533 -6.697 75 HG3 GLU 14 HG1 GLU 14 2.530 7.018 -5.922 76 H THR 15 HN THR 15 -0.916 4.381 -3.578 77 HA THR 15 HA THR 15 -2.275 6.093 -1.603 78 HB THR 15 HB THR 15 -2.940 3.176 -1.971 79 HG1 THR 15 HG1 THR 15 -4.200 5.473 -3.091 80 HG21 THR 15 HG21 THR 15 -3.848 3.617 0.049 81 HG22 THR 15 HG22 THR 15 -5.119 4.390 -0.899 82 HG23 THR 15 HG23 THR 15 -3.821 5.362 -0.206 83 H CYS 16 HN CYS 16 -1.402 6.062 0.365 84 HA CYS 16 HA CYS 16 0.837 4.284 0.884 85 HB2 CYS 16 HB2 CYS 16 -0.172 6.832 1.975 86 HB3 CYS 16 HB1 CYS 16 0.588 5.761 3.150 87 H CYS 17 HN CYS 17 0.535 2.388 1.847 88 HA CYS 17 HA CYS 17 -1.664 2.129 3.777 89 HB2 CYS 17 HB2 CYS 17 -2.431 0.495 2.453 90 HB3 CYS 17 HB1 CYS 17 -0.989 0.541 1.451 91 HA PRO 18 HA PRO 18 1.758 1.177 6.479 92 HB2 PRO 18 HB2 PRO 18 0.419 1.170 8.787 93 HB3 PRO 18 HB1 PRO 18 0.639 2.669 7.875 94 HG2 PRO 18 HG2 PRO 18 -1.764 0.895 8.040 95 HG3 PRO 18 HG1 PRO 18 -1.675 2.665 8.054 96 HD2 PRO 18 HD2 PRO 18 -2.262 1.126 5.824 97 HD3 PRO 18 HD1 PRO 18 -1.645 2.790 5.777 98 H THR 19 HN THR 19 2.022 -0.959 5.518 99 HA THR 19 HA THR 19 0.494 -3.140 6.689 100 HB THR 19 HB THR 19 0.906 -3.320 4.329 101 HG1 THR 19 HG1 THR 19 2.777 -5.146 5.381 102 HG21 THR 19 HG21 THR 19 2.762 -2.080 3.775 103 HG22 THR 19 HG22 THR 19 3.428 -3.711 3.690 104 HG23 THR 19 HG23 THR 19 3.717 -2.713 5.115 105 H SER 20 HN SER 20 2.902 -1.366 7.848 106 HA SER 20 HA SER 20 3.985 -3.596 9.383 107 HB2 SER 20 HB2 SER 20 5.446 -2.339 7.310 108 HB3 SER 20 HB1 SER 20 6.133 -1.764 8.829 109 HG SER 20 HG SER 20 6.898 -3.865 7.836 110 H GLN 21 HN GLN 21 6.048 -1.277 10.120 111 HA GLN 21 HA GLN 21 4.320 0.457 11.667 112 HB2 GLN 21 HB2 GLN 21 4.604 -1.596 13.063 113 HB3 GLN 21 HB1 GLN 21 6.338 -1.305 13.066 114 HG2 GLN 21 HG2 GLN 21 5.450 -0.492 15.115 115 HG3 GLN 21 HG1 GLN 21 5.900 0.900 14.130 116 HE21 GLN 21 HE21 GLN 21 3.435 -0.631 15.862 117 HE22 GLN 21 HE22 GLN 21 2.136 0.419 15.423 118 H THR 22 HN THR 22 7.390 -0.443 10.386 119 HA THR 22 HA THR 22 8.523 2.152 11.186 120 HB THR 22 HB THR 22 10.260 0.914 11.869 121 HG1 THR 22 HG1 THR 22 11.597 1.310 10.286 122 HG21 THR 22 HG21 THR 22 8.740 -1.230 10.556 123 HG22 THR 22 HG22 THR 22 9.553 -1.210 12.120 124 HG23 THR 22 HG23 THR 22 10.477 -1.513 10.650 125 H THR 23 HN THR 23 7.076 0.653 8.612 126 HA THR 23 HA THR 23 8.290 2.560 6.749 127 HB THR 23 HB THR 23 8.204 0.759 4.953 128 HG1 THR 23 HG1 THR 23 8.411 -1.399 5.825 129 HG21 THR 23 HG21 THR 23 10.207 0.148 7.109 130 HG22 THR 23 HG22 THR 23 10.269 1.645 6.179 131 HG23 THR 23 HG23 THR 23 10.419 0.091 5.358 132 H TRP 24 HN TRP 24 7.048 2.596 4.638 133 HA TRP 24 HA TRP 24 4.157 2.205 5.096 134 HB2 TRP 24 HB2 TRP 24 5.672 4.639 4.282 135 HB3 TRP 24 HB1 TRP 24 4.159 4.337 3.437 136 HD1 TRP 24 HD1 TRP 24 5.532 5.512 6.747 137 HE1 TRP 24 HE1 TRP 24 3.590 6.276 8.258 138 HE3 TRP 24 HE3 TRP 24 1.634 3.832 3.944 139 HZ2 TRP 24 HZ2 TRP 24 0.782 6.173 8.255 140 HZ3 TRP 24 HZ3 TRP 24 -0.656 4.200 4.761 141 HH2 TRP 24 HH2 TRP 24 -1.064 5.350 6.870 142 H GLY 25 HN GLY 25 2.930 1.675 3.233 143 HA2 GLY 25 HA2 GLY 25 4.583 0.658 1.013 144 HA3 GLY 25 HA1 GLY 25 3.018 0.016 1.478 145 H CYS 26 HN CYS 26 4.173 1.150 -1.081 146 HA CYS 26 HA CYS 26 2.153 3.240 -1.553 147 HB2 CYS 26 HB2 CYS 26 4.762 3.533 -1.976 148 HB3 CYS 26 HB1 CYS 26 4.361 2.748 -3.498 149 H CYS 27 HN CYS 27 0.398 2.562 -2.571 150 HA CYS 27 HA CYS 27 0.612 0.276 -4.409 151 HB2 CYS 27 HB2 CYS 27 -0.977 0.389 -2.274 152 HB3 CYS 27 HB1 CYS 27 -2.036 1.211 -3.414 153 HA PRO 28 HA PRO 28 -0.318 3.228 -7.629 154 HB2 PRO 28 HB2 PRO 28 -0.363 1.505 -9.699 155 HB3 PRO 28 HB1 PRO 28 1.146 1.977 -8.908 156 HG2 PRO 28 HG2 PRO 28 -0.483 -0.509 -8.557 157 HG3 PRO 28 HG1 PRO 28 1.277 -0.333 -8.683 158 HD2 PRO 28 HD2 PRO 28 -0.045 -0.641 -6.311 159 HD3 PRO 28 HD1 PRO 28 1.502 0.214 -6.467 160 H SER 29 HN SER 29 -2.501 3.257 -6.384 161 HA SER 29 HA SER 29 -4.580 2.796 -8.315 162 HB2 SER 29 HB2 SER 29 -4.461 1.186 -5.765 163 HB3 SER 29 HB1 SER 29 -5.984 1.496 -6.600 164 HG SER 29 HG SER 29 -4.726 -0.503 -7.135 165 HA PRO 30 HA PRO 30 -6.375 6.298 -6.317 166 HB2 PRO 30 HB2 PRO 30 -9.049 5.791 -6.430 167 HB3 PRO 30 HB1 PRO 30 -8.092 6.259 -7.840 168 HG2 PRO 30 HG2 PRO 30 -8.965 3.530 -6.964 169 HG3 PRO 30 HG1 PRO 30 -8.984 4.241 -8.589 170 HD2 PRO 30 HD2 PRO 30 -7.051 2.538 -7.802 171 HD3 PRO 30 HD1 PRO 30 -6.720 3.889 -8.908 172 H LYS 31 HN LYS 31 -9.210 5.499 -5.061 173 HA LYS 31 HA LYS 31 -8.207 5.420 -2.369 174 HB2 LYS 31 HB2 LYS 31 -10.458 6.440 -3.508 175 HB3 LYS 31 HB1 LYS 31 -11.086 4.955 -2.807 176 HG2 LYS 31 HG2 LYS 31 -10.385 5.605 -0.621 177 HG3 LYS 31 HG1 LYS 31 -9.501 6.993 -1.261 178 HD2 LYS 31 HD2 LYS 31 -11.336 8.259 -1.234 179 HD3 LYS 31 HD1 LYS 31 -12.258 7.039 -2.114 180 HE2 LYS 31 HE2 LYS 31 -11.690 6.653 0.793 181 HE3 LYS 31 HE1 LYS 31 -12.976 7.753 0.295 182 HZ1 LYS 31 HZ1 LYS 31 -14.222 5.915 0.277 183 HZ2 LYS 31 HZ2 LYS 31 -12.891 4.873 0.228 184 HZ3 LYS 31 HZ3 LYS 31 -13.470 5.569 -1.200 185 H ALA 32 HN ALA 32 -7.291 3.177 -3.572 186 HA ALA 32 HA ALA 32 -8.964 0.901 -3.256 187 HB1 ALA 32 HB1 ALA 32 -6.003 0.643 -3.168 188 HB2 ALA 32 HB2 ALA 32 -6.742 1.287 -4.633 189 HB3 ALA 32 HB3 ALA 32 -7.196 -0.313 -4.046 190 H VAL 33 HN VAL 33 -8.767 -0.794 -1.700 191 HA VAL 33 HA VAL 33 -8.065 0.174 0.969 192 HB VAL 33 HB VAL 33 -9.377 -2.460 0.300 193 HG11 VAL 33 HG11 VAL 33 -8.836 -2.641 2.502 194 HG12 VAL 33 HG12 VAL 33 -10.369 -1.786 2.673 195 HG13 VAL 33 HG13 VAL 33 -8.850 -0.897 2.763 196 HG21 VAL 33 HG21 VAL 33 -10.949 -0.055 1.126 197 HG22 VAL 33 HG22 VAL 33 -11.487 -1.516 0.299 198 HG23 VAL 33 HG23 VAL 33 -10.547 -0.305 -0.573 199 H CYS 34 HN CYS 34 -6.269 -0.524 2.014 200 HA CYS 34 HA CYS 34 -4.411 -2.159 0.591 201 HB2 CYS 34 HB2 CYS 34 -3.324 -0.520 1.779 202 HB3 CYS 34 HB1 CYS 34 -4.381 -0.672 3.179 203 H CYS 35 HN CYS 35 -4.967 -4.266 0.392 204 HA CYS 35 HA CYS 35 -6.195 -5.882 2.315 205 HB2 CYS 35 HB2 CYS 35 -4.450 -6.436 -0.066 206 HB3 CYS 35 HB1 CYS 35 -4.884 -7.753 1.017 207 H ASP 36 HN ASP 36 -5.486 -6.231 4.277 208 HA ASP 36 HA ASP 36 -2.648 -6.102 4.884 209 HB2 ASP 36 HB2 ASP 36 -3.261 -5.786 7.133 210 HB3 ASP 36 HB1 ASP 36 -4.470 -4.902 6.205 211 H ASP 37 HN ASP 37 -4.998 -8.594 4.363 212 HA ASP 37 HA ASP 37 -4.241 -10.552 6.142 213 HB2 ASP 37 HB2 ASP 37 -5.979 -10.513 4.129 214 HB3 ASP 37 HB1 ASP 37 -4.667 -11.338 3.293 215 H MET 38 HN MET 38 -2.727 -9.628 3.097 216 HA MET 38 HA MET 38 -0.306 -11.067 3.936 217 HB2 MET 38 HB2 MET 38 -1.657 -11.096 1.246 218 HB3 MET 38 HB1 MET 38 0.067 -11.405 1.397 219 HG2 MET 38 HG2 MET 38 -2.074 -12.962 2.826 220 HG3 MET 38 HG1 MET 38 -1.324 -13.449 1.307 221 HE1 MET 38 HE1 MET 38 -0.633 -15.940 3.064 222 HE2 MET 38 HE2 MET 38 1.059 -15.831 2.574 223 HE3 MET 38 HE3 MET 38 -0.216 -15.336 1.460 224 H GLN 39 HN GLN 39 -0.587 -9.394 0.888 225 HA GLN 39 HA GLN 39 0.348 -6.881 1.899 226 HB2 GLN 39 HB2 GLN 39 2.448 -8.199 1.853 227 HB3 GLN 39 HB1 GLN 39 2.188 -8.526 0.145 228 HG2 GLN 39 HG2 GLN 39 3.793 -6.768 0.364 229 HG3 GLN 39 HG1 GLN 39 2.302 -6.096 -0.297 230 HE21 GLN 39 HE21 GLN 39 1.250 -4.532 0.797 231 HE22 GLN 39 HE22 GLN 39 1.788 -3.860 2.294 232 H HIS 40 HN HIS 40 -1.697 -6.339 0.794 233 HA HIS 40 HA HIS 40 -1.179 -5.673 -1.982 234 HB2 HIS 40 HB2 HIS 40 -2.490 -8.117 -1.372 235 HB3 HIS 40 HB1 HIS 40 -3.679 -7.035 -2.091 236 HD1 HIS 40 HD1 HIS 40 -1.542 -5.631 -4.019 237 HD2 HIS 40 HD2 HIS 40 -2.243 -9.707 -3.630 238 HE1 HIS 40 HE1 HIS 40 -0.758 -6.656 -6.177 239 HE2 HIS 40 HE2 HIS 40 -1.298 -9.107 -5.963 240 H CYS 41 HN CYS 41 -3.521 -5.079 -3.004 241 HA CYS 41 HA CYS 41 -5.177 -3.597 -1.151 242 HB2 CYS 41 HB2 CYS 41 -4.407 -1.861 -3.365 243 HB3 CYS 41 HB1 CYS 41 -4.496 -1.507 -1.645 244 H CYS 42 HN CYS 42 -7.216 -3.055 -2.054 245 HA CYS 42 HA CYS 42 -7.727 -4.224 -4.711 246 HB2 CYS 42 HB2 CYS 42 -9.485 -4.226 -2.254 247 HB3 CYS 42 HB1 CYS 42 -10.057 -4.669 -3.856 248 HA PRO 43 HA PRO 43 -9.081 -0.364 -6.345 249 HB2 PRO 43 HB2 PRO 43 -11.521 -1.948 -7.070 250 HB3 PRO 43 HB1 PRO 43 -10.590 -0.809 -8.053 251 HG2 PRO 43 HG2 PRO 43 -10.243 -3.412 -8.377 252 HG3 PRO 43 HG1 PRO 43 -8.848 -2.316 -8.384 253 HD2 PRO 43 HD2 PRO 43 -9.751 -4.218 -6.278 254 HD3 PRO 43 HD1 PRO 43 -8.107 -3.695 -6.703 255 H ALA 44 HN ALA 44 -10.324 1.350 -5.801 256 HA ALA 44 HA ALA 44 -11.453 1.555 -3.296 257 HB1 ALA 44 HB1 ALA 44 -12.718 3.570 -4.472 258 HB2 ALA 44 HB2 ALA 44 -11.570 3.204 -5.759 259 HB3 ALA 44 HB3 ALA 44 -10.986 3.613 -4.146 260 H GLY 45 HN GLY 45 -12.956 0.032 -2.730 261 HA2 GLY 45 HA2 GLY 45 -15.445 0.060 -2.521 262 HA3 GLY 45 HA1 GLY 45 -15.471 0.049 -4.279 263 H TYR 46 HN TYR 46 -12.943 -1.834 -3.078 264 HA TYR 46 HA TYR 46 -14.584 -4.271 -3.313 265 HB2 TYR 46 HB2 TYR 46 -11.789 -3.716 -4.311 266 HB3 TYR 46 HB1 TYR 46 -12.432 -5.347 -4.153 267 HD1 TYR 46 HD1 TYR 46 -13.425 -2.065 -5.656 268 HD2 TYR 46 HD2 TYR 46 -13.359 -6.301 -6.034 269 HE1 TYR 46 HE1 TYR 46 -14.447 -1.876 -7.885 270 HE2 TYR 46 HE2 TYR 46 -14.380 -6.124 -8.264 271 HH TYR 46 HH TYR 46 -14.865 -4.681 -9.960 272 H LYS 47 HN LYS 47 -13.713 -6.159 -2.171 273 HA LYS 47 HA LYS 47 -12.150 -5.413 0.209 274 HB2 LYS 47 HB2 LYS 47 -13.510 -6.954 1.538 275 HB3 LYS 47 HB1 LYS 47 -14.507 -5.698 0.817 276 HG2 LYS 47 HG2 LYS 47 -15.729 -7.172 -0.320 277 HG3 LYS 47 HG1 LYS 47 -14.308 -8.078 -0.845 278 HD2 LYS 47 HD2 LYS 47 -15.054 -9.687 0.525 279 HD3 LYS 47 HD1 LYS 47 -14.430 -8.672 1.826 280 HE2 LYS 47 HE2 LYS 47 -17.137 -8.015 0.853 281 HE3 LYS 47 HE1 LYS 47 -16.973 -9.553 1.700 282 HZ1 LYS 47 HZ1 LYS 47 -15.928 -7.021 2.821 283 HZ2 LYS 47 HZ2 LYS 47 -16.215 -8.482 3.624 284 HZ3 LYS 47 HZ3 LYS 47 -17.516 -7.539 3.096 285 H CYS 48 HN CYS 48 -11.002 -7.243 1.223 286 HA CYS 48 HA CYS 48 -9.825 -8.917 -0.822 287 HB2 CYS 48 HB2 CYS 48 -8.891 -7.712 1.519 288 HB3 CYS 48 HB1 CYS 48 -8.895 -9.437 1.877 289 H GLY 49 HN GLY 49 -9.761 -11.162 -0.813 290 HA2 GLY 49 HA2 GLY 49 -11.794 -12.450 0.902 291 HA3 GLY 49 HA1 GLY 49 -11.526 -12.899 -0.776 292 HA PRO 50 HA PRO 50 -8.971 -15.510 2.330 293 HB2 PRO 50 HB2 PRO 50 -10.121 -17.904 1.589 294 HB3 PRO 50 HB1 PRO 50 -10.607 -16.953 2.996 295 HG2 PRO 50 HG2 PRO 50 -11.841 -17.083 0.276 296 HG3 PRO 50 HG1 PRO 50 -12.629 -17.021 1.863 297 HD2 PRO 50 HD2 PRO 50 -12.452 -14.848 0.302 298 HD3 PRO 50 HD1 PRO 50 -12.315 -14.733 2.069 299 H GLY 51 HN GLY 51 -9.782 -15.420 -1.010 300 HA2 GLY 51 HA2 GLY 51 -7.522 -17.180 -1.693 301 HA3 GLY 51 HA1 GLY 51 -8.820 -16.721 -2.785 302 H GLY 52 HN GLY 52 -7.354 -14.309 -0.771 303 HA2 GLY 52 HA2 GLY 52 -6.094 -12.457 -1.266 304 HA3 GLY 52 HA1 GLY 52 -5.227 -13.494 -2.390 305 H THR 53 HN THR 53 -8.645 -12.957 -2.751 306 HA THR 53 HA THR 53 -8.083 -11.396 -5.183 307 HB THR 53 HB THR 53 -10.251 -12.161 -6.029 308 HG1 THR 53 HG1 THR 53 -10.366 -13.666 -3.608 309 HG21 THR 53 HG21 THR 53 -9.534 -14.249 -6.686 310 HG22 THR 53 HG22 THR 53 -8.931 -14.664 -5.082 311 HG23 THR 53 HG23 THR 53 -8.021 -13.554 -6.105 312 H CYS 54 HN CYS 54 -10.160 -10.088 -5.834 313 HA CYS 54 HA CYS 54 -11.050 -8.572 -3.469 314 HB2 CYS 54 HB2 CYS 54 -10.548 -7.427 -6.221 315 HB3 CYS 54 HB1 CYS 54 -10.960 -6.533 -4.763 316 H ILE 55 HN ILE 55 -13.177 -8.467 -3.186 317 HA ILE 55 HA ILE 55 -14.926 -8.991 -5.504 318 HB ILE 55 HB ILE 55 -16.361 -9.609 -3.156 319 HG12 ILE 55 HG12 ILE 55 -13.801 -11.202 -3.246 320 HG13 ILE 55 HG11 ILE 55 -14.009 -9.822 -2.173 321 HG21 ILE 55 HG21 ILE 55 -16.975 -11.383 -4.383 322 HG22 ILE 55 HG22 ILE 55 -15.309 -11.859 -4.715 323 HG23 ILE 55 HG23 ILE 55 -16.070 -10.588 -5.672 324 HD11 ILE 55 HD11 ILE 55 -15.467 -12.438 -2.147 325 HD12 ILE 55 HD12 ILE 55 -16.062 -11.019 -1.285 326 HD13 ILE 55 HD13 ILE 55 -14.490 -11.706 -0.876 327 H SER 56 HN SER 56 -17.295 -8.288 -4.892 328 HA SER 56 HA SER 56 -17.100 -5.538 -3.863 329 HB2 SER 56 HB2 SER 56 -18.394 -6.706 -6.199 330 HB3 SER 56 HB1 SER 56 -19.502 -5.722 -5.243 331 HG SER 56 HG SER 56 -17.060 -4.552 -5.563
Contact the webmaster for help, if required. Friday, May 3, 2024 11:40:40 PM GMT (wattos1)