NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10318 | 1pjv | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 -13.568 4.279 10.753 2 2H ALA 1 HT2 ALA 1 -13.784 5.858 10.117 3 3H ALA 1 HT3 ALA 1 -12.257 5.383 10.740 4 HA ALA 1 HA ALA 1 -13.620 4.374 8.339 5 1HB ALA 1 HB1 ALA 1 -12.609 6.454 7.873 6 2HB ALA 1 HB2 ALA 1 -11.485 5.230 7.282 7 3HB ALA 1 HB3 ALA 1 -11.170 6.052 8.810 8 H VAL 2 HN VAL 2 -12.117 2.972 7.044 9 HA VAL 2 HA VAL 2 -10.534 1.223 8.816 10 HB VAL 2 HB VAL 2 -11.756 0.008 6.406 11 1HG1 VAL 2 HG11 VAL 2 -10.809 -0.794 9.084 12 2HG1 VAL 2 HG12 VAL 2 -10.637 -1.603 7.526 13 3HG1 VAL 2 HG13 VAL 2 -12.154 -1.718 8.417 14 1HG2 VAL 2 HG21 VAL 2 -13.776 0.920 6.989 15 2HG2 VAL 2 HG22 VAL 2 -13.348 1.054 8.695 16 3HG2 VAL 2 HG23 VAL 2 -13.782 -0.514 8.016 17 H CYS 3 HN CYS 3 -9.062 -0.232 7.515 18 HA CYS 3 HA CYS 3 -7.282 1.397 6.022 19 1HB CYS 3 HB2 CYS 3 -6.468 -0.443 7.400 20 2HB CYS 3 HB1 CYS 3 -7.339 -1.603 6.405 21 H VAL 4 HN VAL 4 -7.419 1.943 3.956 22 HA VAL 4 HA VAL 4 -9.078 0.322 2.162 23 HB VAL 4 HB VAL 4 -7.921 3.028 1.524 24 1HG1 VAL 4 HG11 VAL 4 -9.494 1.128 0.103 25 2HG1 VAL 4 HG12 VAL 4 -8.922 2.707 -0.432 26 3HG1 VAL 4 HG13 VAL 4 -10.476 2.565 0.388 27 1HG2 VAL 4 HG21 VAL 4 -10.628 2.508 2.746 28 2HG2 VAL 4 HG22 VAL 4 -9.928 4.071 2.327 29 3HG2 VAL 4 HG23 VAL 4 -9.234 3.117 3.638 30 H TYR 5 HN TYR 5 -8.089 -1.097 0.912 31 HA TYR 5 HA TYR 5 -5.316 -1.303 0.592 32 1HB TYR 5 HB2 TYR 5 -7.301 -3.009 0.193 33 2HB TYR 5 HB1 TYR 5 -7.121 -2.455 -1.465 34 HD1 TYR 5 HD1 TYR 5 -4.841 -2.674 -2.567 35 HD2 TYR 5 HD2 TYR 5 -5.834 -4.610 1.089 36 HE1 TYR 5 HE1 TYR 5 -2.973 -4.238 -2.895 37 HE2 TYR 5 HE2 TYR 5 -3.967 -6.178 0.773 38 HH TYR 5 HH TYR 5 -1.922 -6.395 -0.412 39 H ARG 6 HN ARG 6 -7.792 0.024 -1.568 40 HA ARG 6 HA ARG 6 -6.068 0.565 -3.725 41 1HB ARG 6 HB2 ARG 6 -8.719 0.573 -3.455 42 2HB ARG 6 HB1 ARG 6 -8.426 2.296 -3.288 43 1HG ARG 6 HG2 ARG 6 -6.924 1.681 -5.481 44 2HG ARG 6 HG1 ARG 6 -8.303 0.593 -5.652 45 1HD ARG 6 HD2 ARG 6 -8.770 3.464 -4.980 46 2HD ARG 6 HD1 ARG 6 -8.384 3.017 -6.642 47 HE ARG 6 HE ARG 6 -10.504 1.458 -5.482 48 1HH1 ARG 6 HH11 ARG 6 -9.717 4.397 -7.191 49 2HH1 ARG 6 HH12 ARG 6 -11.303 4.579 -7.863 50 1HH2 ARG 6 HH21 ARG 6 -12.590 1.695 -6.365 51 2HH2 ARG 6 HH22 ARG 6 -12.934 3.045 -7.393 52 H THR 7 HN THR 7 -7.015 2.481 -0.918 53 HA THR 7 HA THR 7 -5.750 4.875 -1.850 54 HB THR 7 HB THR 7 -6.442 4.232 1.012 55 HG1 THR 7 HG1 THR 7 -8.511 4.985 0.559 56 1HG2 THR 7 HG21 THR 7 -5.400 6.297 1.004 57 2HG2 THR 7 HG22 THR 7 -7.112 6.706 0.905 58 3HG2 THR 7 HG23 THR 7 -6.108 6.760 -0.543 59 H CYS 8 HN CYS 8 -4.930 2.284 0.393 60 HA CYS 8 HA CYS 8 -2.429 3.409 1.176 61 1HB CYS 8 HB2 CYS 8 -3.834 1.626 2.397 62 2HB CYS 8 HB1 CYS 8 -3.097 0.476 1.288 63 H ASP 9 HN ASP 9 -3.497 1.251 -1.361 64 HA ASP 9 HA ASP 9 -0.930 0.384 -2.186 65 1HB ASP 9 HB2 ASP 9 -2.996 -0.828 -2.775 66 2HB ASP 9 HB1 ASP 9 -3.502 0.532 -3.773 67 H LYS 10 HN LYS 10 -3.151 2.870 -3.447 68 HA LYS 10 HA LYS 10 -1.455 3.803 -5.476 69 1HB LYS 10 HB2 LYS 10 -3.985 4.503 -4.391 70 2HB LYS 10 HB1 LYS 10 -3.020 5.965 -4.510 71 1HG LYS 10 HG2 LYS 10 -2.969 4.211 -6.870 72 2HG LYS 10 HG1 LYS 10 -4.517 4.981 -6.513 73 1HD LYS 10 HD2 LYS 10 -2.756 7.049 -6.182 74 2HD LYS 10 HD1 LYS 10 -2.018 6.142 -7.504 75 1HE LYS 10 HE2 LYS 10 -3.426 7.584 -8.633 76 2HE LYS 10 HE1 LYS 10 -4.418 6.133 -8.493 77 1HZ LYS 10 HZ1 LYS 10 -5.264 8.551 -7.808 78 2HZ LYS 10 HZ2 LYS 10 -4.641 8.047 -6.319 79 3HZ LYS 10 HZ3 LYS 10 -5.841 7.134 -7.085 80 H ASP 11 HN ASP 11 -1.966 5.011 -2.167 81 HA ASP 11 HA ASP 11 -0.178 7.144 -2.255 82 1HB ASP 11 HB2 ASP 11 -1.841 6.156 -0.369 83 2HB ASP 11 HB1 ASP 11 -0.294 5.626 0.272 84 H CYS 12 HN CYS 12 0.367 3.811 -1.156 85 HA CYS 12 HA CYS 12 3.084 4.038 -0.570 86 1HB CYS 12 HB2 CYS 12 1.581 2.089 -0.024 87 2HB CYS 12 HB1 CYS 12 1.739 1.578 -1.701 88 H LYS 13 HN LYS 13 1.468 3.194 -3.613 89 HA LYS 13 HA LYS 13 3.752 2.623 -5.122 90 1HB LYS 13 HB2 LYS 13 0.988 2.828 -5.586 91 2HB LYS 13 HB1 LYS 13 1.738 3.942 -6.720 92 1HG LYS 13 HG2 LYS 13 2.393 2.277 -8.024 93 2HG LYS 13 HG1 LYS 13 3.171 1.451 -6.673 94 1HD LYS 13 HD2 LYS 13 1.449 0.032 -6.394 95 2HD LYS 13 HD1 LYS 13 0.243 1.293 -6.661 96 1HE LYS 13 HE2 LYS 13 0.035 -0.312 -8.420 97 2HE LYS 13 HE1 LYS 13 0.740 1.153 -9.100 98 1HZ LYS 13 HZ1 LYS 13 1.730 -1.277 -9.508 99 2HZ LYS 13 HZ2 LYS 13 2.625 -0.839 -8.142 100 3HZ LYS 13 HZ3 LYS 13 2.679 0.124 -9.532 101 H ARG 14 HN ARG 14 2.152 5.681 -4.405 102 HA ARG 14 HA ARG 14 4.079 7.139 -6.033 103 1HB ARG 14 HB2 ARG 14 1.425 7.685 -4.914 104 2HB ARG 14 HB1 ARG 14 2.536 9.042 -4.790 105 1HG ARG 14 HG2 ARG 14 2.984 8.426 -7.328 106 2HG ARG 14 HG1 ARG 14 1.353 7.767 -7.189 107 1HD ARG 14 HD2 ARG 14 1.854 10.490 -6.112 108 2HD ARG 14 HD1 ARG 14 1.801 10.293 -7.863 109 HE ARG 14 HE ARG 14 -0.421 9.086 -6.500 110 1HH1 ARG 14 HH11 ARG 14 0.819 12.038 -7.887 111 2HH1 ARG 14 HH12 ARG 14 -0.751 12.720 -8.152 112 1HH2 ARG 14 HH21 ARG 14 -2.486 9.981 -6.848 113 2HH2 ARG 14 HH22 ARG 14 -2.627 11.553 -7.561 114 H ARG 15 HN ARG 15 4.346 5.796 -3.143 115 HA ARG 15 HA ARG 15 5.566 8.118 -1.837 116 1HB ARG 15 HB2 ARG 15 3.826 6.520 -0.708 117 2HB ARG 15 HB1 ARG 15 5.216 5.467 -0.491 118 1HG ARG 15 HG2 ARG 15 6.109 6.758 1.117 119 2HG ARG 15 HG1 ARG 15 5.608 8.261 0.337 120 1HD ARG 15 HD2 ARG 15 3.207 7.291 1.045 121 2HD ARG 15 HD1 ARG 15 4.200 6.583 2.319 122 HE ARG 15 HE ARG 15 4.840 9.302 2.084 123 1HH1 ARG 15 HH11 ARG 15 2.198 7.265 3.110 124 2HH1 ARG 15 HH12 ARG 15 1.587 8.417 4.249 125 1HH2 ARG 15 HH21 ARG 15 4.038 10.819 3.582 126 2HH2 ARG 15 HH22 ARG 15 2.631 10.435 4.517 127 H GLY 16 HN GLY 16 6.761 6.577 -4.069 128 1HA GLY 16 HA2 GLY 16 8.923 6.035 -4.638 129 2HA GLY 16 HA1 GLY 16 9.384 6.350 -2.975 130 H TYR 17 HN TYR 17 6.859 4.079 -3.762 131 HA TYR 17 HA TYR 17 8.702 1.849 -3.237 132 1HB TYR 17 HB2 TYR 17 5.978 2.277 -1.996 133 2HB TYR 17 HB1 TYR 17 6.869 0.760 -1.913 134 HD1 TYR 17 HD1 TYR 17 6.717 4.228 -0.738 135 HD2 TYR 17 HD2 TYR 17 8.818 0.539 -0.489 136 HE1 TYR 17 HE1 TYR 17 7.886 5.037 1.268 137 HE2 TYR 17 HE2 TYR 17 9.993 1.336 1.519 138 HH TYR 17 HH TYR 17 9.975 4.582 2.492 139 H ARG 18 HN ARG 18 7.656 -0.298 -3.811 140 HA ARG 18 HA ARG 18 6.710 -0.127 -6.509 141 1HB ARG 18 HB2 ARG 18 8.007 -2.057 -4.923 142 2HB ARG 18 HB1 ARG 18 6.473 -2.776 -5.392 143 1HG ARG 18 HG2 ARG 18 8.140 -1.444 -7.469 144 2HG ARG 18 HG1 ARG 18 8.596 -3.047 -6.890 145 1HD ARG 18 HD2 ARG 18 5.750 -2.717 -7.549 146 2HD ARG 18 HD1 ARG 18 6.855 -2.580 -8.917 147 HE ARG 18 HE ARG 18 6.183 -4.957 -7.479 148 1HH1 ARG 18 HH11 ARG 18 8.697 -3.399 -9.330 149 2HH1 ARG 18 HH12 ARG 18 9.434 -4.888 -9.818 150 1HH2 ARG 18 HH21 ARG 18 7.149 -6.917 -8.121 151 2HH2 ARG 18 HH22 ARG 18 8.554 -6.885 -9.132 152 H SER 19 HN SER 19 5.317 -1.248 -3.439 153 HA SER 19 HA SER 19 2.722 -0.373 -4.040 154 1HB SER 19 HB2 SER 19 2.654 -2.147 -5.692 155 2HB SER 19 HB1 SER 19 3.198 -3.327 -4.501 156 HG SER 19 HG SER 19 0.720 -2.617 -5.055 157 H GLY 20 HN GLY 20 1.084 -1.294 -2.458 158 1HA GLY 20 HA2 GLY 20 2.450 -2.146 0.019 159 2HA GLY 20 HA1 GLY 20 1.229 -0.883 0.023 160 H LYS 21 HN LYS 21 1.094 -3.195 1.602 161 HA LYS 21 HA LYS 21 -1.389 -4.348 0.560 162 1HB LYS 21 HB2 LYS 21 0.791 -6.029 1.809 163 2HB LYS 21 HB1 LYS 21 -0.745 -6.599 1.172 164 1HG LYS 21 HG2 LYS 21 -0.080 -6.001 -1.072 165 2HG LYS 21 HG1 LYS 21 1.427 -5.310 -0.467 166 1HD LYS 21 HD2 LYS 21 2.251 -7.432 0.178 167 2HD LYS 21 HD1 LYS 21 0.668 -8.187 -0.020 168 1HE LYS 21 HE2 LYS 21 2.099 -6.911 -2.328 169 2HE LYS 21 HE1 LYS 21 2.437 -8.572 -1.844 170 1HZ LYS 21 HZ1 LYS 21 0.314 -7.606 -3.406 171 2HZ LYS 21 HZ2 LYS 21 -0.334 -8.281 -1.997 172 3HZ LYS 21 HZ3 LYS 21 0.673 -9.207 -2.993 173 H CYS 22 HN CYS 22 -2.946 -4.636 2.080 174 HA CYS 22 HA CYS 22 -2.231 -3.896 4.833 175 1HB CYS 22 HB2 CYS 22 -3.923 -2.513 3.489 176 2HB CYS 22 HB1 CYS 22 -5.018 -3.876 3.693 177 H ILE 23 HN ILE 23 -1.930 -5.633 6.055 178 HA ILE 23 HA ILE 23 -4.011 -7.690 6.079 179 HB ILE 23 HB ILE 23 -1.063 -8.320 6.173 180 1HG1 ILE 23 HG12 ILE 23 -1.799 -7.576 3.925 181 2HG1 ILE 23 HG11 ILE 23 -1.320 -9.270 3.951 182 1HG2 ILE 23 HG21 ILE 23 -1.916 -10.097 7.277 183 2HG2 ILE 23 HG22 ILE 23 -2.276 -10.657 5.644 184 3HG2 ILE 23 HG23 ILE 23 -3.532 -9.877 6.606 185 1HD1 ILE 23 HD11 ILE 23 -3.500 -10.017 3.712 186 2HD1 ILE 23 HD12 ILE 23 -3.436 -8.599 2.666 187 3HD1 ILE 23 HD13 ILE 23 -4.188 -8.488 4.257 188 H ASN 24 HN ASN 24 -4.336 -8.694 8.083 189 HA ASN 24 HA ASN 24 -4.498 -8.753 10.354 190 1HB ASN 24 HB2 ASN 24 -1.564 -8.345 9.915 191 2HB ASN 24 HB1 ASN 24 -2.225 -8.377 11.545 192 1HD2 ASN 24 HD21 ASN 24 -0.995 -10.210 9.060 193 2HD2 ASN 24 HD22 ASN 24 -1.507 -11.771 9.597 194 H ASN 25 HN ASN 25 -5.073 -6.252 9.051 195 HA ASN 25 HA ASN 25 -5.675 -4.134 9.623 196 1HB ASN 25 HB2 ASN 25 -5.387 -5.508 12.165 197 2HB ASN 25 HB1 ASN 25 -4.991 -3.799 12.311 198 1HD2 ASN 25 HD21 ASN 25 -7.234 -5.225 13.425 199 2HD2 ASN 25 HD22 ASN 25 -8.659 -4.478 12.795 200 H ALA 26 HN ALA 26 -2.940 -4.833 8.772 201 HA ALA 26 HA ALA 26 -1.677 -2.311 9.540 202 1HB ALA 26 HB1 ALA 26 0.492 -3.389 9.903 203 2HB ALA 26 HB2 ALA 26 -0.258 -4.970 9.684 204 3HB ALA 26 HB3 ALA 26 -0.715 -3.959 11.055 205 H CYS 27 HN CYS 27 -1.101 -1.259 7.755 206 HA CYS 27 HA CYS 27 -0.921 -2.708 5.243 207 1HB CYS 27 HB2 CYS 27 -2.142 -0.421 5.732 208 2HB CYS 27 HB1 CYS 27 -0.541 0.246 5.432 209 H LYS 28 HN LYS 28 0.972 -3.595 4.788 210 HA LYS 28 HA LYS 28 3.436 -2.202 5.552 211 1HB LYS 28 HB2 LYS 28 2.744 -4.837 5.791 212 2HB LYS 28 HB1 LYS 28 3.663 -4.851 4.292 213 1HG LYS 28 HG2 LYS 28 5.488 -3.637 5.537 214 2HG LYS 28 HG1 LYS 28 4.582 -3.974 7.014 215 1HD LYS 28 HD2 LYS 28 4.951 -6.323 5.319 216 2HD LYS 28 HD1 LYS 28 6.469 -5.617 5.876 217 1HE LYS 28 HE2 LYS 28 5.388 -5.598 8.198 218 2HE LYS 28 HE1 LYS 28 4.186 -6.687 7.507 219 1HZ LYS 28 HZ1 LYS 28 7.085 -7.147 7.865 220 2HZ LYS 28 HZ2 LYS 28 6.166 -8.082 6.797 221 3HZ LYS 28 HZ3 LYS 28 5.792 -8.072 8.446 222 H CYS 29 HN CYS 29 4.594 -1.132 4.094 223 HA CYS 29 HA CYS 29 3.791 -1.128 1.334 224 1HB CYS 29 HB2 CYS 29 5.442 0.519 3.076 225 2HB CYS 29 HB1 CYS 29 6.072 0.388 1.441 226 H TYR 30 HN TYR 30 5.419 -1.303 -0.430 227 HA TYR 30 HA TYR 30 7.626 -3.130 0.164 228 1HB TYR 30 HB2 TYR 30 5.546 -3.663 -1.966 229 2HB TYR 30 HB1 TYR 30 6.994 -4.622 -1.680 230 HD1 TYR 30 HD1 TYR 30 7.107 -6.187 0.142 231 HD2 TYR 30 HD2 TYR 30 3.681 -3.718 -0.368 232 HE1 TYR 30 HE1 TYR 30 5.873 -7.577 1.752 233 HE2 TYR 30 HE2 TYR 30 2.438 -5.099 1.241 234 HH TYR 30 HH TYR 30 2.894 -7.873 2.022 235 HA PRO 31 HA PRO 31 9.241 0.038 -2.652 236 1HB PRO 31 HB2 PRO 31 11.858 -0.475 -2.155 237 2HB PRO 31 HB1 PRO 31 10.851 0.502 -1.080 238 1HG PRO 31 HG2 PRO 31 11.629 -2.380 -0.846 239 2HG PRO 31 HG1 PRO 31 11.579 -1.130 0.410 240 1HD PRO 31 HD2 PRO 31 9.615 -2.967 0.109 241 2HD PRO 31 HD1 PRO 31 9.298 -1.318 0.685 242 H TYR 32 HN TYR 32 10.925 -0.063 -4.425 243 HA TYR 32 HA TYR 32 10.319 -2.134 -6.209 244 1HB TYR 32 HB2 TYR 32 11.458 0.305 -6.467 245 2HB TYR 32 HB1 TYR 32 12.886 -0.714 -6.614 246 HD1 TYR 32 HD1 TYR 32 12.870 -2.546 -8.383 247 HD2 TYR 32 HD2 TYR 32 9.997 0.590 -8.280 248 HE1 TYR 32 HE1 TYR 32 12.324 -2.977 -10.741 249 HE2 TYR 32 HE2 TYR 32 9.442 0.167 -10.638 250 HH TYR 32 HH TYR 32 10.545 -0.842 -12.637 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 -15.422 2.701 9.193 2 2H ALA 1 HT2 ALA 1 -15.782 4.308 8.709 3 3H ALA 1 HT3 ALA 1 -14.595 4.018 9.913 4 HA ALA 1 HA ALA 1 -14.481 3.372 7.050 5 1HB ALA 1 HB1 ALA 1 -12.908 5.209 8.846 6 2HB ALA 1 HB2 ALA 1 -13.945 5.654 7.490 7 3HB ALA 1 HB3 ALA 1 -12.432 4.797 7.198 8 H VAL 2 HN VAL 2 -12.560 2.289 6.351 9 HA VAL 2 HA VAL 2 -11.030 0.887 8.414 10 HB VAL 2 HB VAL 2 -11.790 -0.837 6.147 11 1HG1 VAL 2 HG11 VAL 2 -12.116 -2.398 8.192 12 2HG1 VAL 2 HG12 VAL 2 -11.314 -1.106 9.085 13 3HG1 VAL 2 HG13 VAL 2 -10.489 -1.891 7.738 14 1HG2 VAL 2 HG21 VAL 2 -13.812 0.093 8.166 15 2HG2 VAL 2 HG22 VAL 2 -13.937 -1.480 7.378 16 3HG2 VAL 2 HG23 VAL 2 -13.970 -0.005 6.412 17 H CYS 3 HN CYS 3 -9.206 -0.370 7.421 18 HA CYS 3 HA CYS 3 -7.587 1.330 5.903 19 1HB CYS 3 HB2 CYS 3 -6.588 -0.308 7.343 20 2HB CYS 3 HB1 CYS 3 -7.374 -1.626 6.484 21 H VAL 4 HN VAL 4 -7.681 1.818 3.823 22 HA VAL 4 HA VAL 4 -9.046 0.005 1.976 23 HB VAL 4 HB VAL 4 -8.026 2.752 1.294 24 1HG1 VAL 4 HG11 VAL 4 -8.744 1.974 -0.695 25 2HG1 VAL 4 HG12 VAL 4 -10.338 2.385 -0.066 26 3HG1 VAL 4 HG13 VAL 4 -9.750 0.726 0.040 27 1HG2 VAL 4 HG21 VAL 4 -10.151 3.698 1.934 28 2HG2 VAL 4 HG22 VAL 4 -9.432 2.892 3.329 29 3HG2 VAL 4 HG23 VAL 4 -10.742 2.115 2.440 30 H TYR 5 HN TYR 5 -7.829 -1.419 0.945 31 HA TYR 5 HA TYR 5 -5.073 -1.500 0.863 32 1HB TYR 5 HB2 TYR 5 -6.493 -3.431 0.407 33 2HB TYR 5 HB1 TYR 5 -7.000 -2.696 -1.104 34 HD1 TYR 5 HD1 TYR 5 -4.606 -4.806 0.475 35 HD2 TYR 5 HD2 TYR 5 -5.188 -2.236 -2.865 36 HE1 TYR 5 HE1 TYR 5 -2.719 -5.883 -0.676 37 HE2 TYR 5 HE2 TYR 5 -3.302 -3.305 -4.025 38 HH TYR 5 HH TYR 5 -1.337 -4.596 -3.544 39 H ARG 6 HN ARG 6 -7.239 -0.465 -1.770 40 HA ARG 6 HA ARG 6 -5.212 0.242 -3.569 41 1HB ARG 6 HB2 ARG 6 -7.848 -0.011 -3.792 42 2HB ARG 6 HB1 ARG 6 -7.770 1.732 -3.617 43 1HG ARG 6 HG2 ARG 6 -5.811 0.858 -5.516 44 2HG ARG 6 HG1 ARG 6 -7.402 0.228 -5.945 45 1HD ARG 6 HD2 ARG 6 -8.342 2.406 -6.007 46 2HD ARG 6 HD1 ARG 6 -6.914 3.116 -5.255 47 HE ARG 6 HE ARG 6 -5.896 3.169 -7.308 48 1HH1 ARG 6 HH11 ARG 6 -8.714 1.118 -7.489 49 2HH1 ARG 6 HH12 ARG 6 -8.642 0.960 -9.212 50 1HH2 ARG 6 HH21 ARG 6 -5.800 2.962 -9.573 51 2HH2 ARG 6 HH22 ARG 6 -6.987 2.006 -10.395 52 H THR 7 HN THR 7 -6.845 2.146 -1.079 53 HA THR 7 HA THR 7 -5.692 4.628 -1.877 54 HB THR 7 HB THR 7 -6.631 4.066 0.919 55 HG1 THR 7 HG1 THR 7 -8.339 4.571 -1.284 56 1HG2 THR 7 HG21 THR 7 -6.474 6.438 -0.852 57 2HG2 THR 7 HG22 THR 7 -6.117 6.278 0.868 58 3HG2 THR 7 HG23 THR 7 -7.791 6.346 0.317 59 H CYS 8 HN CYS 8 -4.869 2.113 0.415 60 HA CYS 8 HA CYS 8 -2.697 3.500 1.632 61 1HB CYS 8 HB2 CYS 8 -3.974 1.464 2.536 62 2HB CYS 8 HB1 CYS 8 -2.967 0.500 1.462 63 H ASP 9 HN ASP 9 -2.958 1.131 -0.977 64 HA ASP 9 HA ASP 9 -0.217 0.819 -1.483 65 1HB ASP 9 HB2 ASP 9 -2.635 -0.131 -2.580 66 2HB ASP 9 HB1 ASP 9 -1.742 0.596 -3.909 67 H LYS 10 HN LYS 10 -2.627 2.994 -2.924 68 HA LYS 10 HA LYS 10 -0.847 4.228 -4.730 69 1HB LYS 10 HB2 LYS 10 -3.589 4.451 -4.032 70 2HB LYS 10 HB1 LYS 10 -2.890 6.061 -4.003 71 1HG LYS 10 HG2 LYS 10 -3.596 5.882 -6.182 72 2HG LYS 10 HG1 LYS 10 -1.903 5.399 -6.307 73 1HD LYS 10 HD2 LYS 10 -2.576 3.043 -6.222 74 2HD LYS 10 HD1 LYS 10 -4.267 3.532 -6.106 75 1HE LYS 10 HE2 LYS 10 -4.401 4.074 -8.300 76 2HE LYS 10 HE1 LYS 10 -2.737 4.655 -8.367 77 1HZ LYS 10 HZ1 LYS 10 -3.289 2.547 -9.638 78 2HZ LYS 10 HZ2 LYS 10 -3.367 1.776 -8.135 79 3HZ LYS 10 HZ3 LYS 10 -1.924 2.500 -8.639 80 H ASP 11 HN ASP 11 -1.837 5.041 -1.435 81 HA ASP 11 HA ASP 11 -0.623 7.549 -1.248 82 1HB ASP 11 HB2 ASP 11 -2.105 6.036 0.434 83 2HB ASP 11 HB1 ASP 11 -0.518 5.856 1.161 84 H CYS 12 HN CYS 12 0.652 4.356 -0.335 85 HA CYS 12 HA CYS 12 3.238 5.371 0.312 86 1HB CYS 12 HB2 CYS 12 2.138 3.215 1.158 87 2HB CYS 12 HB1 CYS 12 2.630 2.503 -0.375 88 H LYS 13 HN LYS 13 1.865 3.758 -2.529 89 HA LYS 13 HA LYS 13 4.197 3.353 -3.982 90 1HB LYS 13 HB2 LYS 13 1.334 3.762 -4.724 91 2HB LYS 13 HB1 LYS 13 2.543 3.792 -5.999 92 1HG LYS 13 HG2 LYS 13 2.967 1.578 -5.846 93 2HG LYS 13 HG1 LYS 13 2.685 1.532 -4.104 94 1HD LYS 13 HD2 LYS 13 0.719 0.583 -4.562 95 2HD LYS 13 HD1 LYS 13 0.203 2.155 -5.174 96 1HE LYS 13 HE2 LYS 13 1.767 0.624 -7.102 97 2HE LYS 13 HE1 LYS 13 0.285 -0.191 -6.608 98 1HZ LYS 13 HZ1 LYS 13 -0.599 1.076 -8.220 99 2HZ LYS 13 HZ2 LYS 13 0.635 2.232 -8.164 100 3HZ LYS 13 HZ3 LYS 13 -0.617 2.277 -7.027 101 H ARG 14 HN ARG 14 2.170 6.240 -3.744 102 HA ARG 14 HA ARG 14 3.525 7.748 -5.706 103 1HB ARG 14 HB2 ARG 14 1.441 8.189 -3.741 104 2HB ARG 14 HB1 ARG 14 2.522 9.572 -3.836 105 1HG ARG 14 HG2 ARG 14 1.209 8.317 -6.233 106 2HG ARG 14 HG1 ARG 14 0.531 9.678 -5.338 107 1HD ARG 14 HD2 ARG 14 3.157 10.424 -5.831 108 2HD ARG 14 HD1 ARG 14 2.650 9.626 -7.318 109 HE ARG 14 HE ARG 14 1.263 11.392 -7.749 110 1HH1 ARG 14 HH11 ARG 14 2.214 11.505 -4.394 111 2HH1 ARG 14 HH12 ARG 14 1.500 13.058 -4.114 112 1HH2 ARG 14 HH21 ARG 14 0.323 13.434 -7.385 113 2HH2 ARG 14 HH22 ARG 14 0.426 14.153 -5.812 114 H ARG 15 HN ARG 15 4.316 6.941 -2.447 115 HA ARG 15 HA ARG 15 6.104 9.128 -1.983 116 1HB ARG 15 HB2 ARG 15 4.909 7.431 -0.318 117 2HB ARG 15 HB1 ARG 15 6.414 6.546 -0.526 118 1HG ARG 15 HG2 ARG 15 7.550 7.958 0.769 119 2HG ARG 15 HG1 ARG 15 6.831 9.377 0.005 120 1HD ARG 15 HD2 ARG 15 4.721 8.393 1.411 121 2HD ARG 15 HD1 ARG 15 6.069 7.956 2.459 122 HE ARG 15 HE ARG 15 6.217 10.670 1.588 123 1HH1 ARG 15 HH11 ARG 15 4.686 8.544 3.894 124 2HH1 ARG 15 HH12 ARG 15 4.410 9.798 5.055 125 1HH2 ARG 15 HH21 ARG 15 5.857 12.320 3.115 126 2HH2 ARG 15 HH22 ARG 15 5.075 11.942 4.613 127 H GLY 16 HN GLY 16 6.615 5.661 -2.647 128 1HA GLY 16 HA2 GLY 16 8.613 5.946 -4.533 129 2HA GLY 16 HA1 GLY 16 9.421 5.927 -2.974 130 H TYR 17 HN TYR 17 6.536 4.133 -3.973 131 HA TYR 17 HA TYR 17 8.088 1.644 -3.758 132 1HB TYR 17 HB2 TYR 17 5.375 2.179 -2.535 133 2HB TYR 17 HB1 TYR 17 6.147 0.599 -2.607 134 HD1 TYR 17 HD1 TYR 17 6.629 4.047 -1.293 135 HD2 TYR 17 HD2 TYR 17 7.598 -0.078 -0.903 136 HE1 TYR 17 HE1 TYR 17 7.781 4.524 0.826 137 HE2 TYR 17 HE2 TYR 17 8.752 0.388 1.218 138 HH TYR 17 HH TYR 17 8.375 3.180 2.942 139 H ARG 18 HN ARG 18 6.546 -0.261 -4.500 140 HA ARG 18 HA ARG 18 5.198 0.612 -6.969 141 1HB ARG 18 HB2 ARG 18 7.531 -0.891 -6.800 142 2HB ARG 18 HB1 ARG 18 6.278 -2.084 -7.112 143 1HG ARG 18 HG2 ARG 18 6.544 0.407 -8.761 144 2HG ARG 18 HG1 ARG 18 7.452 -1.063 -9.120 145 1HD ARG 18 HD2 ARG 18 4.894 -1.999 -8.787 146 2HD ARG 18 HD1 ARG 18 4.634 -0.438 -9.563 147 HE ARG 18 HE ARG 18 5.539 -1.278 -11.493 148 1HH1 ARG 18 HH11 ARG 18 6.277 -3.442 -8.856 149 2HH1 ARG 18 HH12 ARG 18 6.902 -4.685 -9.887 150 1HH2 ARG 18 HH21 ARG 18 6.359 -2.913 -12.850 151 2HH2 ARG 18 HH22 ARG 18 6.950 -4.385 -12.154 152 H SER 19 HN SER 19 5.347 -1.819 -4.398 153 HA SER 19 HA SER 19 2.528 -2.447 -4.971 154 1HB SER 19 HB2 SER 19 4.065 -4.278 -5.734 155 2HB SER 19 HB1 SER 19 4.578 -4.476 -4.059 156 HG SER 19 HG SER 19 2.096 -5.040 -5.243 157 H GLY 20 HN GLY 20 1.914 -4.075 -2.919 158 1HA GLY 20 HA2 GLY 20 2.826 -3.666 -0.387 159 2HA GLY 20 HA1 GLY 20 1.851 -2.239 -0.703 160 H LYS 21 HN LYS 21 1.247 -3.998 1.341 161 HA LYS 21 HA LYS 21 -1.391 -4.898 0.483 162 1HB LYS 21 HB2 LYS 21 0.678 -6.672 1.771 163 2HB LYS 21 HB1 LYS 21 -1.041 -7.034 1.835 164 1HG LYS 21 HG2 LYS 21 -1.062 -6.988 -0.663 165 2HG LYS 21 HG1 LYS 21 0.697 -6.849 -0.612 166 1HD LYS 21 HD2 LYS 21 0.783 -8.961 0.678 167 2HD LYS 21 HD1 LYS 21 -0.967 -9.109 0.498 168 1HE LYS 21 HE2 LYS 21 0.489 -8.666 -2.010 169 2HE LYS 21 HE1 LYS 21 0.876 -10.182 -1.198 170 1HZ LYS 21 HZ1 LYS 21 -1.777 -10.196 -1.027 171 2HZ LYS 21 HZ2 LYS 21 -0.926 -10.890 -2.314 172 3HZ LYS 21 HZ3 LYS 21 -1.591 -9.343 -2.477 173 H CYS 22 HN CYS 22 -2.945 -4.708 2.041 174 HA CYS 22 HA CYS 22 -2.112 -3.380 4.507 175 1HB CYS 22 HB2 CYS 22 -3.799 -2.138 3.429 176 2HB CYS 22 HB1 CYS 22 -4.733 -3.576 3.038 177 H ILE 23 HN ILE 23 -1.843 -4.573 6.263 178 HA ILE 23 HA ILE 23 -3.090 -7.187 6.473 179 HB ILE 23 HB ILE 23 -1.297 -5.868 8.509 180 1HG1 ILE 23 HG12 ILE 23 -0.410 -7.791 6.359 181 2HG1 ILE 23 HG11 ILE 23 -0.317 -6.044 6.154 182 1HG2 ILE 23 HG21 ILE 23 -2.412 -8.591 8.103 183 2HG2 ILE 23 HG22 ILE 23 -2.157 -7.682 9.592 184 3HG2 ILE 23 HG23 ILE 23 -0.790 -8.446 8.781 185 1HD1 ILE 23 HD11 ILE 23 1.009 -7.554 8.389 186 2HD1 ILE 23 HD12 ILE 23 1.214 -5.851 7.978 187 3HD1 ILE 23 HD13 ILE 23 1.801 -7.101 6.881 188 H ASN 24 HN ASN 24 -4.295 -7.839 8.347 189 HA ASN 24 HA ASN 24 -6.499 -6.415 8.944 190 1HB ASN 24 HB2 ASN 24 -5.024 -8.387 10.666 191 2HB ASN 24 HB1 ASN 24 -6.594 -7.732 11.119 192 1HD2 ASN 24 HD21 ASN 24 -8.181 -7.803 9.149 193 2HD2 ASN 24 HD22 ASN 24 -8.281 -9.344 8.373 194 H ASN 25 HN ASN 25 -3.386 -5.874 10.297 195 HA ASN 25 HA ASN 25 -4.348 -3.453 11.555 196 1HB ASN 25 HB2 ASN 25 -4.116 -5.750 13.116 197 2HB ASN 25 HB1 ASN 25 -2.645 -4.844 13.454 198 1HD2 ASN 25 HD21 ASN 25 -6.041 -5.023 13.863 199 2HD2 ASN 25 HD22 ASN 25 -6.218 -3.633 14.873 200 H ALA 26 HN ALA 26 -2.595 -3.984 9.333 201 HA ALA 26 HA ALA 26 -0.494 -2.214 9.965 202 1HB ALA 26 HB1 ALA 26 0.807 -3.698 11.067 203 2HB ALA 26 HB2 ALA 26 1.291 -4.133 9.427 204 3HB ALA 26 HB3 ALA 26 0.077 -5.093 10.272 205 H CYS 27 HN CYS 27 -0.475 -1.142 8.096 206 HA CYS 27 HA CYS 27 -0.706 -2.627 5.583 207 1HB CYS 27 HB2 CYS 27 -2.107 -0.520 6.191 208 2HB CYS 27 HB1 CYS 27 -0.645 0.371 5.783 209 H LYS 28 HN LYS 28 1.086 -3.166 4.537 210 HA LYS 28 HA LYS 28 3.447 -1.426 4.819 211 1HB LYS 28 HB2 LYS 28 4.540 -3.798 4.114 212 2HB LYS 28 HB1 LYS 28 4.357 -3.260 5.776 213 1HG LYS 28 HG2 LYS 28 2.228 -4.499 5.906 214 2HG LYS 28 HG1 LYS 28 2.501 -5.088 4.265 215 1HD LYS 28 HD2 LYS 28 3.292 -6.828 5.593 216 2HD LYS 28 HD1 LYS 28 4.758 -5.935 5.183 217 1HE LYS 28 HE2 LYS 28 4.798 -4.873 7.319 218 2HE LYS 28 HE1 LYS 28 3.195 -5.491 7.719 219 1HZ LYS 28 HZ1 LYS 28 4.445 -7.013 8.803 220 2HZ LYS 28 HZ2 LYS 28 5.776 -6.847 7.772 221 3HZ LYS 28 HZ3 LYS 28 4.444 -7.769 7.289 222 H CYS 29 HN CYS 29 4.928 -1.433 2.987 223 HA CYS 29 HA CYS 29 3.601 -2.052 0.437 224 1HB CYS 29 HB2 CYS 29 5.359 0.134 0.036 225 2HB CYS 29 HB1 CYS 29 3.613 0.099 -0.144 226 H TYR 30 HN TYR 30 5.137 -2.208 -1.410 227 HA TYR 30 HA TYR 30 7.746 -3.246 -0.523 228 1HB TYR 30 HB2 TYR 30 6.156 -4.323 -2.852 229 2HB TYR 30 HB1 TYR 30 7.612 -5.009 -2.141 230 HD1 TYR 30 HD1 TYR 30 4.066 -5.078 -2.164 231 HD2 TYR 30 HD2 TYR 30 7.440 -5.764 0.335 232 HE1 TYR 30 HE1 TYR 30 2.678 -6.464 -0.680 233 HE2 TYR 30 HE2 TYR 30 6.062 -7.152 1.825 234 HH TYR 30 HH TYR 30 2.921 -8.211 0.969 235 HA PRO 31 HA PRO 31 9.126 0.020 -3.290 236 1HB PRO 31 HB2 PRO 31 11.797 -0.632 -3.112 237 2HB PRO 31 HB1 PRO 31 10.940 0.398 -1.962 238 1HG PRO 31 HG2 PRO 31 11.638 -2.500 -1.758 239 2HG PRO 31 HG1 PRO 31 11.677 -1.245 -0.508 240 1HD PRO 31 HD2 PRO 31 9.685 -3.048 -0.657 241 2HD PRO 31 HD1 PRO 31 9.402 -1.378 -0.125 242 H TYR 32 HN TYR 32 11.440 -2.636 -3.665 243 HA TYR 32 HA TYR 32 10.360 -3.245 -6.306 244 1HB TYR 32 HB2 TYR 32 12.781 -1.734 -5.802 245 2HB TYR 32 HB1 TYR 32 13.129 -3.209 -6.698 246 HD1 TYR 32 HD1 TYR 32 11.887 -3.631 -8.860 247 HD2 TYR 32 HD2 TYR 32 11.791 0.123 -6.862 248 HE1 TYR 32 HE1 TYR 32 11.121 -2.554 -10.933 249 HE2 TYR 32 HE2 TYR 32 11.024 1.211 -8.930 250 HH TYR 32 HH TYR 32 11.355 0.227 -11.758 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 -12.784 4.586 10.983 2 2H ALA 1 HT2 ALA 1 -13.742 3.236 10.529 3 3H ALA 1 HT3 ALA 1 -14.241 4.824 10.112 4 HA ALA 1 HA ALA 1 -13.395 4.066 8.178 5 1HB ALA 1 HB1 ALA 1 -12.406 6.162 8.523 6 2HB ALA 1 HB2 ALA 1 -11.077 5.120 8.015 7 3HB ALA 1 HB3 ALA 1 -11.275 5.529 9.719 8 H VAL 2 HN VAL 2 -12.623 2.326 7.172 9 HA VAL 2 HA VAL 2 -10.822 0.545 8.668 10 HB VAL 2 HB VAL 2 -12.098 -0.426 6.177 11 1HG1 VAL 2 HG11 VAL 2 -12.501 -2.322 8.025 12 2HG1 VAL 2 HG12 VAL 2 -11.133 -1.484 8.758 13 3HG1 VAL 2 HG13 VAL 2 -10.992 -2.149 7.130 14 1HG2 VAL 2 HG21 VAL 2 -13.641 0.432 8.575 15 2HG2 VAL 2 HG22 VAL 2 -14.113 -1.058 7.757 16 3HG2 VAL 2 HG23 VAL 2 -14.092 0.467 6.871 17 H CYS 3 HN CYS 3 -9.395 -0.812 7.222 18 HA CYS 3 HA CYS 3 -7.606 0.914 5.853 19 1HB CYS 3 HB2 CYS 3 -6.796 -1.037 7.057 20 2HB CYS 3 HB1 CYS 3 -7.715 -2.104 6.003 21 H VAL 4 HN VAL 4 -7.616 1.550 3.806 22 HA VAL 4 HA VAL 4 -9.333 0.111 1.900 23 HB VAL 4 HB VAL 4 -8.246 2.898 1.544 24 1HG1 VAL 4 HG11 VAL 4 -10.053 3.112 -0.072 25 2HG1 VAL 4 HG12 VAL 4 -10.590 1.472 0.290 26 3HG1 VAL 4 HG13 VAL 4 -9.023 1.738 -0.473 27 1HG2 VAL 4 HG21 VAL 4 -10.488 3.687 2.276 28 2HG2 VAL 4 HG22 VAL 4 -9.541 2.948 3.568 29 3HG2 VAL 4 HG23 VAL 4 -10.848 2.043 2.805 30 H TYR 5 HN TYR 5 -8.361 -1.087 0.420 31 HA TYR 5 HA TYR 5 -5.586 -1.285 0.126 32 1HB TYR 5 HB2 TYR 5 -7.571 -2.890 -0.555 33 2HB TYR 5 HB1 TYR 5 -7.367 -2.094 -2.109 34 HD1 TYR 5 HD1 TYR 5 -5.158 -3.578 0.522 35 HD2 TYR 5 HD2 TYR 5 -6.042 -3.204 -3.623 36 HE1 TYR 5 HE1 TYR 5 -3.294 -5.093 -0.006 37 HE2 TYR 5 HE2 TYR 5 -4.181 -4.717 -4.163 38 HH TYR 5 HH TYR 5 -2.855 -6.458 -3.101 39 H ARG 6 HN ARG 6 -7.994 0.342 -1.910 40 HA ARG 6 HA ARG 6 -6.163 1.196 -3.878 41 1HB ARG 6 HB2 ARG 6 -8.826 1.101 -3.777 42 2HB ARG 6 HB1 ARG 6 -8.599 2.794 -3.369 43 1HG ARG 6 HG2 ARG 6 -7.371 3.160 -5.425 44 2HG ARG 6 HG1 ARG 6 -7.505 1.446 -5.827 45 1HD ARG 6 HD2 ARG 6 -9.309 2.112 -6.993 46 2HD ARG 6 HD1 ARG 6 -10.104 2.068 -5.420 47 HE ARG 6 HE ARG 6 -9.107 4.577 -5.530 48 1HH1 ARG 6 HH11 ARG 6 -11.078 2.703 -7.718 49 2HH1 ARG 6 HH12 ARG 6 -11.901 4.084 -8.359 50 1HH2 ARG 6 HH21 ARG 6 -10.189 6.395 -6.373 51 2HH2 ARG 6 HH22 ARG 6 -11.396 6.181 -7.596 52 H THR 7 HN THR 7 -7.343 2.699 -0.909 53 HA THR 7 HA THR 7 -6.134 5.233 -1.431 54 HB THR 7 HB THR 7 -6.811 4.231 1.319 55 HG1 THR 7 HG1 THR 7 -8.669 5.188 -0.596 56 1HG2 THR 7 HG21 THR 7 -6.991 6.915 -0.017 57 2HG2 THR 7 HG22 THR 7 -5.938 6.438 1.315 58 3HG2 THR 7 HG23 THR 7 -7.680 6.551 1.565 59 H CYS 8 HN CYS 8 -5.279 2.379 0.445 60 HA CYS 8 HA CYS 8 -2.846 3.474 1.465 61 1HB CYS 8 HB2 CYS 8 -4.134 1.521 2.455 62 2HB CYS 8 HB1 CYS 8 -3.479 0.537 1.150 63 H ASP 9 HN ASP 9 -3.721 1.537 -1.332 64 HA ASP 9 HA ASP 9 -1.110 0.919 -2.185 65 1HB ASP 9 HB2 ASP 9 -3.113 -0.257 -3.008 66 2HB ASP 9 HB1 ASP 9 -3.626 1.207 -3.841 67 H LYS 10 HN LYS 10 -3.334 3.543 -3.104 68 HA LYS 10 HA LYS 10 -1.560 4.743 -4.948 69 1HB LYS 10 HB2 LYS 10 -4.197 5.195 -3.998 70 2HB LYS 10 HB1 LYS 10 -3.313 6.708 -3.901 71 1HG LYS 10 HG2 LYS 10 -3.196 6.940 -6.134 72 2HG LYS 10 HG1 LYS 10 -2.983 5.210 -6.409 73 1HD LYS 10 HD2 LYS 10 -5.244 4.800 -6.452 74 2HD LYS 10 HD1 LYS 10 -5.624 6.196 -5.441 75 1HE LYS 10 HE2 LYS 10 -4.505 6.560 -8.195 76 2HE LYS 10 HE1 LYS 10 -6.226 6.258 -7.958 77 1HZ LYS 10 HZ1 LYS 10 -4.665 8.502 -6.797 78 2HZ LYS 10 HZ2 LYS 10 -6.299 8.198 -6.486 79 3HZ LYS 10 HZ3 LYS 10 -5.799 8.613 -8.048 80 H ASP 11 HN ASP 11 -2.429 5.676 -1.618 81 HA ASP 11 HA ASP 11 -0.709 7.858 -1.401 82 1HB ASP 11 HB2 ASP 11 -2.539 6.620 0.215 83 2HB ASP 11 HB1 ASP 11 -1.032 6.282 1.044 84 H CYS 12 HN CYS 12 -0.186 4.437 -0.816 85 HA CYS 12 HA CYS 12 2.461 4.789 0.217 86 1HB CYS 12 HB2 CYS 12 0.902 2.864 0.741 87 2HB CYS 12 HB1 CYS 12 1.287 2.228 -0.855 88 H LYS 13 HN LYS 13 1.158 3.725 -2.940 89 HA LYS 13 HA LYS 13 3.654 3.116 -4.079 90 1HB LYS 13 HB2 LYS 13 2.528 3.254 -6.246 91 2HB LYS 13 HB1 LYS 13 1.558 2.363 -5.083 92 1HG LYS 13 HG2 LYS 13 0.026 3.707 -6.195 93 2HG LYS 13 HG1 LYS 13 0.337 4.567 -4.690 94 1HD LYS 13 HD2 LYS 13 1.074 6.353 -5.786 95 2HD LYS 13 HD1 LYS 13 2.216 5.376 -6.710 96 1HE LYS 13 HE2 LYS 13 0.921 5.408 -8.528 97 2HE LYS 13 HE1 LYS 13 -0.526 5.014 -7.600 98 1HZ LYS 13 HZ1 LYS 13 -1.105 7.168 -7.423 99 2HZ LYS 13 HZ2 LYS 13 -0.154 7.347 -8.810 100 3HZ LYS 13 HZ3 LYS 13 0.489 7.719 -7.290 101 H ARG 14 HN ARG 14 1.924 6.141 -3.716 102 HA ARG 14 HA ARG 14 3.518 7.639 -5.524 103 1HB ARG 14 HB2 ARG 14 2.493 9.589 -4.584 104 2HB ARG 14 HB1 ARG 14 1.268 8.333 -4.688 105 1HG ARG 14 HG2 ARG 14 0.906 8.372 -2.495 106 2HG ARG 14 HG1 ARG 14 2.631 8.312 -2.129 107 1HD ARG 14 HD2 ARG 14 1.480 10.361 -1.299 108 2HD ARG 14 HD1 ARG 14 2.837 10.680 -2.378 109 HE ARG 14 HE ARG 14 1.379 11.580 -3.904 110 1HH1 ARG 14 HH11 ARG 14 -0.433 9.856 -1.469 111 2HH1 ARG 14 HH12 ARG 14 -1.966 10.452 -2.011 112 1HH2 ARG 14 HH21 ARG 14 -0.636 12.363 -4.617 113 2HH2 ARG 14 HH22 ARG 14 -2.082 11.874 -3.798 114 H ARG 15 HN ARG 15 4.242 6.289 -2.512 115 HA ARG 15 HA ARG 15 6.213 8.312 -1.810 116 1HB ARG 15 HB2 ARG 15 5.527 5.715 -0.426 117 2HB ARG 15 HB1 ARG 15 6.577 6.976 0.206 118 1HG ARG 15 HG2 ARG 15 4.344 8.408 -0.251 119 2HG ARG 15 HG1 ARG 15 3.642 6.828 0.102 120 1HD ARG 15 HD2 ARG 15 4.375 6.829 2.263 121 2HD ARG 15 HD1 ARG 15 5.787 7.820 1.898 122 HE ARG 15 HE ARG 15 3.171 8.737 2.666 123 1HH1 ARG 15 HH11 ARG 15 6.143 9.586 1.046 124 2HH1 ARG 15 HH12 ARG 15 5.930 11.289 1.279 125 1HH2 ARG 15 HH21 ARG 15 2.889 10.976 2.974 126 2HH2 ARG 15 HH22 ARG 15 4.083 12.078 2.374 127 H GLY 16 HN GLY 16 6.354 6.371 -4.195 128 1HA GLY 16 HA2 GLY 16 8.133 5.509 -5.369 129 2HA GLY 16 HA1 GLY 16 9.169 5.946 -4.023 130 H TYR 17 HN TYR 17 6.398 3.724 -4.322 131 HA TYR 17 HA TYR 17 8.150 1.590 -3.284 132 1HB TYR 17 HB2 TYR 17 5.234 2.147 -2.760 133 2HB TYR 17 HB1 TYR 17 5.951 0.568 -2.451 134 HD1 TYR 17 HD1 TYR 17 6.313 4.175 -1.593 135 HD2 TYR 17 HD2 TYR 17 7.022 0.146 -0.423 136 HE1 TYR 17 HE1 TYR 17 7.067 4.954 0.614 137 HE2 TYR 17 HE2 TYR 17 7.777 0.914 1.787 138 HH TYR 17 HH TYR 17 8.739 3.016 2.776 139 H ARG 18 HN ARG 18 7.611 -0.600 -3.989 140 HA ARG 18 HA ARG 18 6.847 -0.596 -6.803 141 1HB ARG 18 HB2 ARG 18 8.798 -1.957 -5.319 142 2HB ARG 18 HB1 ARG 18 7.628 -3.185 -5.780 143 1HG ARG 18 HG2 ARG 18 8.047 -1.654 -8.080 144 2HG ARG 18 HG1 ARG 18 9.643 -1.888 -7.365 145 1HD ARG 18 HD2 ARG 18 9.335 -3.727 -8.794 146 2HD ARG 18 HD1 ARG 18 9.024 -4.347 -7.172 147 HE ARG 18 HE ARG 18 6.563 -3.649 -8.039 148 1HH1 ARG 18 HH11 ARG 18 9.100 -5.610 -9.418 149 2HH1 ARG 18 HH12 ARG 18 8.007 -6.638 -10.282 150 1HH2 ARG 18 HH21 ARG 18 5.124 -5.001 -9.173 151 2HH2 ARG 18 HH22 ARG 18 5.749 -6.293 -10.143 152 H SER 19 HN SER 19 6.108 -2.500 -3.874 153 HA SER 19 HA SER 19 3.326 -2.600 -4.545 154 1HB SER 19 HB2 SER 19 4.433 -4.372 -6.025 155 2HB SER 19 HB1 SER 19 4.713 -5.271 -4.535 156 HG SER 19 HG SER 19 2.682 -5.804 -4.499 157 H GLY 20 HN GLY 20 2.032 -3.443 -2.871 158 1HA GLY 20 HA2 GLY 20 3.354 -4.456 -0.482 159 2HA GLY 20 HA1 GLY 20 2.574 -2.890 -0.324 160 H LYS 21 HN LYS 21 1.276 -3.951 1.314 161 HA LYS 21 HA LYS 21 -1.236 -4.796 0.262 162 1HB LYS 21 HB2 LYS 21 0.626 -6.817 1.438 163 2HB LYS 21 HB1 LYS 21 -1.098 -6.972 1.747 164 1HG LYS 21 HG2 LYS 21 -1.084 -6.588 -0.937 165 2HG LYS 21 HG1 LYS 21 0.433 -7.458 -0.704 166 1HD LYS 21 HD2 LYS 21 -0.959 -9.084 0.722 167 2HD LYS 21 HD1 LYS 21 -2.360 -8.334 -0.046 168 1HE LYS 21 HE2 LYS 21 -1.825 -9.151 -2.131 169 2HE LYS 21 HE1 LYS 21 -0.110 -9.300 -1.748 170 1HZ LYS 21 HZ1 LYS 21 -2.324 -11.119 -1.077 171 2HZ LYS 21 HZ2 LYS 21 -0.942 -11.091 -0.102 172 3HZ LYS 21 HZ3 LYS 21 -0.810 -11.475 -1.744 173 H CYS 22 HN CYS 22 -2.822 -5.235 2.021 174 HA CYS 22 HA CYS 22 -2.142 -3.619 4.377 175 1HB CYS 22 HB2 CYS 22 -3.968 -2.650 3.178 176 2HB CYS 22 HB1 CYS 22 -4.788 -4.202 3.045 177 H ILE 23 HN ILE 23 -1.820 -4.658 6.214 178 HA ILE 23 HA ILE 23 -2.629 -7.424 6.506 179 HB ILE 23 HB ILE 23 -1.240 -5.693 8.551 180 1HG1 ILE 23 HG12 ILE 23 0.099 -7.581 6.615 181 2HG1 ILE 23 HG11 ILE 23 -0.079 -5.861 6.282 182 1HG2 ILE 23 HG21 ILE 23 -1.784 -8.613 8.272 183 2HG2 ILE 23 HG22 ILE 23 -1.939 -7.569 9.685 184 3HG2 ILE 23 HG23 ILE 23 -0.342 -8.071 9.131 185 1HD1 ILE 23 HD11 ILE 23 1.017 -6.122 8.874 186 2HD1 ILE 23 HD12 ILE 23 1.769 -5.465 7.420 187 3HD1 ILE 23 HD13 ILE 23 1.919 -7.182 7.793 188 H ASN 24 HN ASN 24 -3.785 -8.187 8.397 189 HA ASN 24 HA ASN 24 -6.269 -7.277 8.768 190 1HB ASN 24 HB2 ASN 24 -4.486 -8.577 10.813 191 2HB ASN 24 HB1 ASN 24 -6.208 -8.317 11.078 192 1HD2 ASN 24 HD21 ASN 24 -3.855 -10.332 9.749 193 2HD2 ASN 24 HD22 ASN 24 -4.904 -11.429 8.925 194 H ASN 25 HN ASN 25 -3.465 -5.920 10.242 195 HA ASN 25 HA ASN 25 -4.961 -3.578 11.011 196 1HB ASN 25 HB2 ASN 25 -4.628 -5.563 12.932 197 2HB ASN 25 HB1 ASN 25 -3.359 -4.398 13.296 198 1HD2 ASN 25 HD21 ASN 25 -4.145 -3.434 15.063 199 2HD2 ASN 25 HD22 ASN 25 -5.650 -2.590 15.139 200 H ALA 26 HN ALA 26 -2.918 -3.999 9.100 201 HA ALA 26 HA ALA 26 -1.157 -1.894 9.790 202 1HB ALA 26 HB1 ALA 26 -0.227 -4.647 10.321 203 2HB ALA 26 HB2 ALA 26 0.217 -3.126 11.096 204 3HB ALA 26 HB3 ALA 26 0.916 -3.559 9.535 205 H CYS 27 HN CYS 27 -1.171 -0.934 7.866 206 HA CYS 27 HA CYS 27 -0.978 -2.527 5.425 207 1HB CYS 27 HB2 CYS 27 -2.602 -0.501 5.897 208 2HB CYS 27 HB1 CYS 27 -1.204 0.458 5.427 209 H LYS 28 HN LYS 28 0.884 -2.758 4.337 210 HA LYS 28 HA LYS 28 2.941 -0.698 4.549 211 1HB LYS 28 HB2 LYS 28 3.085 -2.910 6.176 212 2HB LYS 28 HB1 LYS 28 4.069 -3.391 4.801 213 1HG LYS 28 HG2 LYS 28 5.757 -2.215 5.605 214 2HG LYS 28 HG1 LYS 28 4.795 -0.742 5.464 215 1HD LYS 28 HD2 LYS 28 4.000 -0.930 7.678 216 2HD LYS 28 HD1 LYS 28 4.554 -2.600 7.817 217 1HE LYS 28 HE2 LYS 28 6.897 -1.748 7.575 218 2HE LYS 28 HE1 LYS 28 6.248 -0.111 7.679 219 1HZ LYS 28 HZ1 LYS 28 5.520 -0.485 9.873 220 2HZ LYS 28 HZ2 LYS 28 7.097 -1.093 9.810 221 3HZ LYS 28 HZ3 LYS 28 5.781 -2.154 9.774 222 H CYS 29 HN CYS 29 4.763 -1.088 3.034 223 HA CYS 29 HA CYS 29 4.172 -2.832 0.780 224 1HB CYS 29 HB2 CYS 29 4.889 -0.074 0.043 225 2HB CYS 29 HB1 CYS 29 3.914 -1.242 -0.825 226 H TYR 30 HN TYR 30 5.971 -2.708 -0.874 227 HA TYR 30 HA TYR 30 8.548 -2.140 0.421 228 1HB TYR 30 HB2 TYR 30 8.381 -4.538 -1.328 229 2HB TYR 30 HB1 TYR 30 9.386 -4.246 0.087 230 HD1 TYR 30 HD1 TYR 30 6.260 -5.602 -1.141 231 HD2 TYR 30 HD2 TYR 30 8.420 -4.527 2.362 232 HE1 TYR 30 HE1 TYR 30 4.711 -6.944 0.217 233 HE2 TYR 30 HE2 TYR 30 6.879 -5.867 3.731 234 HH TYR 30 HH TYR 30 4.615 -6.754 3.619 235 HA PRO 31 HA PRO 31 9.483 -0.301 -3.503 236 1HB PRO 31 HB2 PRO 31 12.099 0.140 -3.184 237 2HB PRO 31 HB1 PRO 31 10.901 0.996 -2.205 238 1HG PRO 31 HG2 PRO 31 12.595 -1.364 -1.490 239 2HG PRO 31 HG1 PRO 31 12.192 0.061 -0.516 240 1HD PRO 31 HD2 PRO 31 10.930 -2.381 -0.304 241 2HD PRO 31 HD1 PRO 31 10.207 -0.833 0.177 242 H TYR 32 HN TYR 32 11.671 -0.483 -5.025 243 HA TYR 32 HA TYR 32 11.403 -2.996 -6.296 244 1HB TYR 32 HB2 TYR 32 12.614 -0.475 -6.872 245 2HB TYR 32 HB1 TYR 32 13.808 -1.736 -7.158 246 HD1 TYR 32 HD1 TYR 32 12.651 -3.894 -8.396 247 HD2 TYR 32 HD2 TYR 32 11.418 0.165 -8.726 248 HE1 TYR 32 HE1 TYR 32 11.607 -4.393 -10.565 249 HE2 TYR 32 HE2 TYR 32 10.370 -0.324 -10.896 250 HH TYR 32 HH TYR 32 9.463 -2.275 -12.106 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 -12.583 5.760 9.296 2 2H ALA 1 HT2 ALA 1 -13.649 4.637 10.036 3 3H ALA 1 HT3 ALA 1 -14.272 5.880 9.029 4 HA ALA 1 HA ALA 1 -14.329 3.937 7.798 5 1HB ALA 1 HB1 ALA 1 -13.703 5.688 6.399 6 2HB ALA 1 HB2 ALA 1 -12.496 4.445 6.065 7 3HB ALA 1 HB3 ALA 1 -12.093 5.808 7.109 8 H VAL 2 HN VAL 2 -12.661 2.468 6.461 9 HA VAL 2 HA VAL 2 -10.897 1.200 8.458 10 HB VAL 2 HB VAL 2 -11.921 -0.488 6.257 11 1HG1 VAL 2 HG11 VAL 2 -10.627 -0.820 8.729 12 2HG1 VAL 2 HG12 VAL 2 -11.149 -2.072 7.602 13 3HG1 VAL 2 HG13 VAL 2 -12.223 -1.551 8.900 14 1HG2 VAL 2 HG21 VAL 2 -14.026 0.387 6.639 15 2HG2 VAL 2 HG22 VAL 2 -13.704 0.695 8.346 16 3HG2 VAL 2 HG23 VAL 2 -13.982 -0.954 7.784 17 H CYS 3 HN CYS 3 -9.249 -0.257 7.402 18 HA CYS 3 HA CYS 3 -7.545 1.274 5.790 19 1HB CYS 3 HB2 CYS 3 -6.656 -0.446 7.230 20 2HB CYS 3 HB1 CYS 3 -7.561 -1.692 6.378 21 H VAL 4 HN VAL 4 -7.440 1.591 3.665 22 HA VAL 4 HA VAL 4 -9.044 -0.156 1.918 23 HB VAL 4 HB VAL 4 -8.183 2.668 1.301 24 1HG1 VAL 4 HG11 VAL 4 -9.955 2.523 -0.403 25 2HG1 VAL 4 HG12 VAL 4 -10.225 0.839 0.045 26 3HG1 VAL 4 HG13 VAL 4 -8.682 1.328 -0.653 27 1HG2 VAL 4 HG21 VAL 4 -10.483 1.640 2.854 28 2HG2 VAL 4 HG22 VAL 4 -10.814 2.924 1.692 29 3HG2 VAL 4 HG23 VAL 4 -9.630 3.178 2.973 30 H TYR 5 HN TYR 5 -7.944 -1.430 0.603 31 HA TYR 5 HA TYR 5 -5.166 -1.480 0.392 32 1HB TYR 5 HB2 TYR 5 -6.917 -3.301 -0.155 33 2HB TYR 5 HB1 TYR 5 -6.942 -2.567 -1.751 34 HD1 TYR 5 HD1 TYR 5 -5.316 -4.915 0.355 35 HD2 TYR 5 HD2 TYR 5 -4.673 -2.335 -2.967 36 HE1 TYR 5 HE1 TYR 5 -3.342 -6.236 -0.282 37 HE2 TYR 5 HE2 TYR 5 -2.698 -3.649 -3.613 38 HH TYR 5 HH TYR 5 -2.077 -6.618 -2.674 39 H ARG 6 HN ARG 6 -7.586 -0.010 -1.715 40 HA ARG 6 HA ARG 6 -5.769 0.721 -3.759 41 1HB ARG 6 HB2 ARG 6 -8.439 0.582 -3.634 42 2HB ARG 6 HB1 ARG 6 -8.230 2.305 -3.376 43 1HG ARG 6 HG2 ARG 6 -6.570 1.761 -5.516 44 2HG ARG 6 HG1 ARG 6 -7.987 0.751 -5.806 45 1HD ARG 6 HD2 ARG 6 -8.824 3.348 -4.932 46 2HD ARG 6 HD1 ARG 6 -7.695 3.514 -6.276 47 HE ARG 6 HE ARG 6 -9.270 2.611 -7.674 48 1HH1 ARG 6 HH11 ARG 6 -10.219 2.035 -4.366 49 2HH1 ARG 6 HH12 ARG 6 -11.791 1.446 -4.788 50 1HH2 ARG 6 HH21 ARG 6 -11.340 1.836 -8.231 51 2HH2 ARG 6 HH22 ARG 6 -12.428 1.332 -6.981 52 H THR 7 HN THR 7 -6.952 2.350 -0.869 53 HA THR 7 HA THR 7 -5.810 4.885 -1.550 54 HB THR 7 HB THR 7 -6.636 3.895 1.180 55 HG1 THR 7 HG1 THR 7 -8.294 3.763 -0.490 56 1HG2 THR 7 HG21 THR 7 -6.317 6.654 0.043 57 2HG2 THR 7 HG22 THR 7 -5.467 5.940 1.413 58 3HG2 THR 7 HG23 THR 7 -7.188 6.304 1.536 59 H CYS 8 HN CYS 8 -4.902 2.169 0.501 60 HA CYS 8 HA CYS 8 -2.504 3.361 1.477 61 1HB CYS 8 HB2 CYS 8 -3.811 1.391 2.485 62 2HB CYS 8 HB1 CYS 8 -3.002 0.395 1.281 63 H ASP 9 HN ASP 9 -3.327 1.322 -1.258 64 HA ASP 9 HA ASP 9 -0.685 0.735 -2.070 65 1HB ASP 9 HB2 ASP 9 -2.638 -0.556 -2.843 66 2HB ASP 9 HB1 ASP 9 -3.210 0.851 -3.735 67 H LYS 10 HN LYS 10 -3.028 3.190 -3.155 68 HA LYS 10 HA LYS 10 -1.350 4.406 -5.046 69 1HB LYS 10 HB2 LYS 10 -3.934 4.871 -3.945 70 2HB LYS 10 HB1 LYS 10 -3.047 6.386 -3.940 71 1HG LYS 10 HG2 LYS 10 -3.972 6.495 -6.011 72 2HG LYS 10 HG1 LYS 10 -2.472 5.654 -6.407 73 1HD LYS 10 HD2 LYS 10 -3.598 3.528 -6.392 74 2HD LYS 10 HD1 LYS 10 -5.086 4.275 -5.807 75 1HE LYS 10 HE2 LYS 10 -5.563 5.235 -7.846 76 2HE LYS 10 HE1 LYS 10 -3.876 5.236 -8.359 77 1HZ LYS 10 HZ1 LYS 10 -4.022 3.145 -9.144 78 2HZ LYS 10 HZ2 LYS 10 -5.672 3.500 -9.251 79 3HZ LYS 10 HZ3 LYS 10 -5.079 2.626 -7.930 80 H ASP 11 HN ASP 11 -1.931 5.179 -1.627 81 HA ASP 11 HA ASP 11 -0.265 7.428 -1.484 82 1HB ASP 11 HB2 ASP 11 -1.901 6.074 0.252 83 2HB ASP 11 HB1 ASP 11 -0.310 5.734 0.905 84 H CYS 12 HN CYS 12 0.348 3.995 -1.102 85 HA CYS 12 HA CYS 12 3.023 4.169 -0.240 86 1HB CYS 12 HB2 CYS 12 1.557 2.131 -0.114 87 2HB CYS 12 HB1 CYS 12 1.792 1.924 -1.846 88 H LYS 13 HN LYS 13 1.709 3.497 -3.505 89 HA LYS 13 HA LYS 13 4.182 3.456 -4.815 90 1HB LYS 13 HB2 LYS 13 2.880 3.899 -6.883 91 2HB LYS 13 HB1 LYS 13 2.212 2.599 -5.905 92 1HG LYS 13 HG2 LYS 13 0.588 4.244 -4.970 93 2HG LYS 13 HG1 LYS 13 1.183 5.414 -6.150 94 1HD LYS 13 HD2 LYS 13 -0.057 2.734 -6.775 95 2HD LYS 13 HD1 LYS 13 -0.844 4.303 -6.946 96 1HE LYS 13 HE2 LYS 13 1.620 4.430 -8.336 97 2HE LYS 13 HE1 LYS 13 0.827 2.925 -8.800 98 1HZ LYS 13 HZ1 LYS 13 0.317 5.259 -9.951 99 2HZ LYS 13 HZ2 LYS 13 -0.860 5.290 -8.738 100 3HZ LYS 13 HZ3 LYS 13 -0.824 4.014 -9.847 101 H ARG 14 HN ARG 14 2.119 6.123 -3.880 102 HA ARG 14 HA ARG 14 3.504 8.085 -5.437 103 1HB ARG 14 HB2 ARG 14 1.166 7.991 -3.809 104 2HB ARG 14 HB1 ARG 14 2.184 9.297 -3.220 105 1HG ARG 14 HG2 ARG 14 2.121 10.423 -5.272 106 2HG ARG 14 HG1 ARG 14 1.522 9.002 -6.130 107 1HD ARG 14 HD2 ARG 14 -0.424 10.180 -5.933 108 2HD ARG 14 HD1 ARG 14 -0.483 9.253 -4.434 109 HE ARG 14 HE ARG 14 0.794 11.524 -3.707 110 1HH1 ARG 14 HH11 ARG 14 -2.209 10.903 -5.373 111 2HH1 ARG 14 HH12 ARG 14 -2.976 12.340 -4.786 112 1HH2 ARG 14 HH21 ARG 14 -0.213 13.414 -2.933 113 2HH2 ARG 14 HH22 ARG 14 -1.843 13.766 -3.401 114 H ARG 15 HN ARG 15 4.125 6.514 -2.463 115 HA ARG 15 HA ARG 15 5.894 8.639 -1.529 116 1HB ARG 15 HB2 ARG 15 4.959 6.065 -0.264 117 2HB ARG 15 HB1 ARG 15 6.176 7.105 0.463 118 1HG ARG 15 HG2 ARG 15 3.548 8.272 -0.312 119 2HG ARG 15 HG1 ARG 15 3.666 7.297 1.154 120 1HD ARG 15 HD2 ARG 15 5.616 8.777 1.811 121 2HD ARG 15 HD1 ARG 15 5.136 9.835 0.485 122 HE ARG 15 HE ARG 15 3.363 10.560 1.743 123 1HH1 ARG 15 HH11 ARG 15 4.694 7.683 3.202 124 2HH1 ARG 15 HH12 ARG 15 3.740 7.819 4.640 125 1HH2 ARG 15 HH21 ARG 15 2.106 10.741 3.634 126 2HH2 ARG 15 HH22 ARG 15 2.269 9.555 4.886 127 H GLY 16 HN GLY 16 6.386 6.840 -3.912 128 1HA GLY 16 HA2 GLY 16 8.329 6.098 -4.901 129 2HA GLY 16 HA1 GLY 16 9.163 6.409 -3.390 130 H TYR 17 HN TYR 17 6.494 4.231 -4.314 131 HA TYR 17 HA TYR 17 8.155 1.969 -3.443 132 1HB TYR 17 HB2 TYR 17 5.296 2.523 -2.643 133 2HB TYR 17 HB1 TYR 17 6.061 0.949 -2.458 134 HD1 TYR 17 HD1 TYR 17 7.243 0.459 -0.512 135 HD2 TYR 17 HD2 TYR 17 6.472 4.525 -1.493 136 HE1 TYR 17 HE1 TYR 17 8.148 1.150 1.667 137 HE2 TYR 17 HE2 TYR 17 7.375 5.228 0.682 138 HH TYR 17 HH TYR 17 9.277 3.540 2.518 139 H ARG 18 HN ARG 18 6.807 -0.162 -4.019 140 HA ARG 18 HA ARG 18 6.007 0.155 -6.836 141 1HB ARG 18 HB2 ARG 18 7.668 -1.852 -5.426 142 2HB ARG 18 HB1 ARG 18 6.600 -2.469 -6.678 143 1HG ARG 18 HG2 ARG 18 8.555 -0.225 -7.111 144 2HG ARG 18 HG1 ARG 18 8.916 -1.922 -7.430 145 1HD ARG 18 HD2 ARG 18 7.892 -1.822 -9.400 146 2HD ARG 18 HD1 ARG 18 6.419 -1.211 -8.649 147 HE ARG 18 HE ARG 18 8.457 0.786 -9.002 148 1HH1 ARG 18 HH11 ARG 18 5.768 -0.858 -10.500 149 2HH1 ARG 18 HH12 ARG 18 5.441 0.426 -11.614 150 1HH2 ARG 18 HH21 ARG 18 8.030 2.477 -10.468 151 2HH2 ARG 18 HH22 ARG 18 6.725 2.319 -11.597 152 H SER 19 HN SER 19 5.409 -1.855 -3.954 153 HA SER 19 HA SER 19 2.575 -1.915 -4.637 154 1HB SER 19 HB2 SER 19 4.162 -4.447 -4.150 155 2HB SER 19 HB1 SER 19 2.420 -4.348 -4.401 156 HG SER 19 HG SER 19 4.441 -3.637 -6.263 157 H GLY 20 HN GLY 20 1.561 -3.550 -2.794 158 1HA GLY 20 HA2 GLY 20 2.716 -3.495 -0.229 159 2HA GLY 20 HA1 GLY 20 1.696 -2.076 -0.412 160 H LYS 21 HN LYS 21 1.206 -4.049 1.498 161 HA LYS 21 HA LYS 21 -1.408 -4.995 0.573 162 1HB LYS 21 HB2 LYS 21 0.859 -6.670 1.384 163 2HB LYS 21 HB1 LYS 21 -0.632 -7.038 2.240 164 1HG LYS 21 HG2 LYS 21 -1.425 -6.809 -0.399 165 2HG LYS 21 HG1 LYS 21 0.137 -7.626 -0.488 166 1HD LYS 21 HD2 LYS 21 -0.957 -9.003 1.531 167 2HD LYS 21 HD1 LYS 21 -2.429 -8.541 0.674 168 1HE LYS 21 HE2 LYS 21 -1.747 -10.652 -0.183 169 2HE LYS 21 HE1 LYS 21 -1.384 -9.446 -1.417 170 1HZ LYS 21 HZ1 LYS 21 0.662 -10.316 0.530 171 2HZ LYS 21 HZ2 LYS 21 0.883 -9.568 -0.971 172 3HZ LYS 21 HZ3 LYS 21 0.384 -11.182 -0.898 173 H CYS 22 HN CYS 22 -3.009 -4.874 2.078 174 HA CYS 22 HA CYS 22 -2.329 -3.524 4.566 175 1HB CYS 22 HB2 CYS 22 -4.122 -2.526 3.307 176 2HB CYS 22 HB1 CYS 22 -4.975 -4.062 3.210 177 H ILE 23 HN ILE 23 -1.817 -4.782 6.231 178 HA ILE 23 HA ILE 23 -2.920 -7.448 6.489 179 HB ILE 23 HB ILE 23 -1.153 -6.059 8.496 180 1HG1 ILE 23 HG12 ILE 23 -0.173 -7.815 6.247 181 2HG1 ILE 23 HG11 ILE 23 -0.238 -6.062 6.103 182 1HG2 ILE 23 HG21 ILE 23 -1.962 -8.006 9.458 183 2HG2 ILE 23 HG22 ILE 23 -0.425 -8.524 8.765 184 3HG2 ILE 23 HG23 ILE 23 -1.936 -8.890 7.933 185 1HD1 ILE 23 HD11 ILE 23 1.700 -5.875 7.144 186 2HD1 ILE 23 HD12 ILE 23 1.812 -7.634 7.189 187 3HD1 ILE 23 HD13 ILE 23 1.080 -6.762 8.536 188 H ASN 24 HN ASN 24 -3.961 -8.186 8.437 189 HA ASN 24 HA ASN 24 -6.256 -6.994 9.120 190 1HB ASN 24 HB2 ASN 24 -6.172 -8.262 11.288 191 2HB ASN 24 HB1 ASN 24 -5.839 -9.221 9.850 192 1HD2 ASN 24 HD21 ASN 24 -4.312 -10.642 10.207 193 2HD2 ASN 24 HD22 ASN 24 -2.891 -10.401 11.160 194 H ASN 25 HN ASN 25 -3.174 -6.063 10.346 195 HA ASN 25 HA ASN 25 -4.369 -3.720 11.551 196 1HB ASN 25 HB2 ASN 25 -3.877 -5.924 13.177 197 2HB ASN 25 HB1 ASN 25 -2.501 -4.863 13.462 198 1HD2 ASN 25 HD21 ASN 25 -5.989 -5.113 13.563 199 2HD2 ASN 25 HD22 ASN 25 -6.240 -3.816 14.677 200 H ALA 26 HN ALA 26 -2.568 -4.159 9.322 201 HA ALA 26 HA ALA 26 -0.704 -2.119 9.832 202 1HB ALA 26 HB1 ALA 26 0.215 -4.869 10.368 203 2HB ALA 26 HB2 ALA 26 0.756 -3.336 11.051 204 3HB ALA 26 HB3 ALA 26 1.314 -3.836 9.455 205 H CYS 27 HN CYS 27 -0.516 -1.189 7.901 206 HA CYS 27 HA CYS 27 -0.880 -2.772 5.493 207 1HB CYS 27 HB2 CYS 27 -1.856 -0.384 6.045 208 2HB CYS 27 HB1 CYS 27 -0.298 0.159 5.433 209 H LYS 28 HN LYS 28 0.860 -3.818 4.785 210 HA LYS 28 HA LYS 28 3.519 -2.740 5.180 211 1HB LYS 28 HB2 LYS 28 2.350 -5.339 4.536 212 2HB LYS 28 HB1 LYS 28 3.792 -4.988 3.594 213 1HG LYS 28 HG2 LYS 28 3.800 -4.604 6.557 214 2HG LYS 28 HG1 LYS 28 4.016 -6.210 5.858 215 1HD LYS 28 HD2 LYS 28 5.935 -5.434 4.595 216 2HD LYS 28 HD1 LYS 28 5.690 -3.790 5.188 217 1HE LYS 28 HE2 LYS 28 5.834 -5.076 7.529 218 2HE LYS 28 HE1 LYS 28 6.824 -6.161 6.552 219 1HZ LYS 28 HZ1 LYS 28 7.352 -3.291 6.359 220 2HZ LYS 28 HZ2 LYS 28 8.425 -4.595 6.268 221 3HZ LYS 28 HZ3 LYS 28 7.843 -4.084 7.772 222 H CYS 29 HN CYS 29 5.067 -2.618 3.393 223 HA CYS 29 HA CYS 29 3.856 -2.035 0.796 224 1HB CYS 29 HB2 CYS 29 5.314 -0.180 2.547 225 2HB CYS 29 HB1 CYS 29 5.713 -0.104 0.839 226 H TYR 30 HN TYR 30 5.476 -1.917 -0.969 227 HA TYR 30 HA TYR 30 7.987 -3.296 -0.377 228 1HB TYR 30 HB2 TYR 30 6.341 -4.194 -2.721 229 2HB TYR 30 HB1 TYR 30 7.657 -5.031 -1.907 230 HD1 TYR 30 HD1 TYR 30 4.125 -4.681 -2.181 231 HD2 TYR 30 HD2 TYR 30 7.218 -5.849 0.495 232 HE1 TYR 30 HE1 TYR 30 2.485 -5.932 -0.843 233 HE2 TYR 30 HE2 TYR 30 5.587 -7.104 1.841 234 HH TYR 30 HH TYR 30 3.186 -7.137 2.265 235 HA PRO 31 HA PRO 31 8.916 0.185 -3.162 236 1HB PRO 31 HB2 PRO 31 11.599 0.176 -2.625 237 2HB PRO 31 HB1 PRO 31 10.402 1.023 -1.642 238 1HG PRO 31 HG2 PRO 31 11.717 -1.617 -1.173 239 2HG PRO 31 HG1 PRO 31 11.313 -0.340 -0.012 240 1HD PRO 31 HD2 PRO 31 9.827 -2.589 -0.297 241 2HD PRO 31 HD1 PRO 31 9.128 -1.029 0.179 242 H TYR 32 HN TYR 32 11.303 -2.442 -2.843 243 HA TYR 32 HA TYR 32 12.661 -3.383 -4.425 244 1HB TYR 32 HB2 TYR 32 11.508 -5.197 -5.012 245 2HB TYR 32 HB1 TYR 32 10.113 -4.405 -4.300 246 HD1 TYR 32 HD1 TYR 32 8.217 -4.036 -5.598 247 HD2 TYR 32 HD2 TYR 32 11.936 -4.755 -7.535 248 HE1 TYR 32 HE1 TYR 32 7.063 -4.130 -7.767 249 HE2 TYR 32 HE2 TYR 32 10.793 -4.848 -9.709 250 HH TYR 32 HH TYR 32 7.430 -5.095 -10.009 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 -12.059 5.100 11.000 2 2H ALA 1 HT2 ALA 1 -11.252 6.494 10.408 3 3H ALA 1 HT3 ALA 1 -10.348 5.118 10.896 4 HA ALA 1 HA ALA 1 -12.340 4.982 8.758 5 1HB ALA 1 HB1 ALA 1 -9.567 6.074 8.668 6 2HB ALA 1 HB2 ALA 1 -11.019 6.611 7.822 7 3HB ALA 1 HB3 ALA 1 -10.179 5.153 7.294 8 H VAL 2 HN VAL 2 -11.580 3.267 7.186 9 HA VAL 2 HA VAL 2 -10.382 1.039 8.695 10 HB VAL 2 HB VAL 2 -11.699 -0.090 6.517 11 1HG1 VAL 2 HG11 VAL 2 -11.502 -0.598 9.115 12 2HG1 VAL 2 HG12 VAL 2 -12.752 -1.326 8.107 13 3HG1 VAL 2 HG13 VAL 2 -13.132 0.076 9.106 14 1HG2 VAL 2 HG21 VAL 2 -13.503 1.972 7.780 15 2HG2 VAL 2 HG22 VAL 2 -13.972 0.749 6.600 16 3HG2 VAL 2 HG23 VAL 2 -12.867 2.043 6.137 17 H CYS 3 HN CYS 3 -9.020 -0.429 7.562 18 HA CYS 3 HA CYS 3 -7.239 0.841 5.750 19 1HB CYS 3 HB2 CYS 3 -6.587 -0.923 7.404 20 2HB CYS 3 HB1 CYS 3 -7.418 -2.107 6.400 21 H VAL 4 HN VAL 4 -7.503 1.110 3.644 22 HA VAL 4 HA VAL 4 -9.250 -0.761 2.187 23 HB VAL 4 HB VAL 4 -8.478 2.025 1.323 24 1HG1 VAL 4 HG11 VAL 4 -9.145 0.862 -0.578 25 2HG1 VAL 4 HG12 VAL 4 -10.627 1.659 -0.052 26 3HG1 VAL 4 HG13 VAL 4 -10.376 -0.052 0.293 27 1HG2 VAL 4 HG21 VAL 4 -11.023 1.130 2.673 28 2HG2 VAL 4 HG22 VAL 4 -10.674 2.750 2.069 29 3HG2 VAL 4 HG23 VAL 4 -9.752 2.096 3.422 30 H TYR 5 HN TYR 5 -8.551 -1.723 0.318 31 HA TYR 5 HA TYR 5 -5.763 -2.085 -0.006 32 1HB TYR 5 HB2 TYR 5 -7.452 -3.809 -0.550 33 2HB TYR 5 HB1 TYR 5 -7.970 -2.822 -1.906 34 HD1 TYR 5 HD1 TYR 5 -4.887 -4.410 -0.533 35 HD2 TYR 5 HD2 TYR 5 -7.058 -3.228 -3.996 36 HE1 TYR 5 HE1 TYR 5 -3.189 -5.479 -1.955 37 HE2 TYR 5 HE2 TYR 5 -5.367 -4.295 -5.427 38 HH TYR 5 HH TYR 5 -3.279 -6.502 -4.477 39 H ARG 6 HN ARG 6 -8.188 -0.304 -1.871 40 HA ARG 6 HA ARG 6 -6.414 0.542 -3.902 41 1HB ARG 6 HB2 ARG 6 -9.083 0.540 -3.662 42 2HB ARG 6 HB1 ARG 6 -8.759 2.214 -3.246 43 1HG ARG 6 HG2 ARG 6 -9.057 2.397 -5.500 44 2HG ARG 6 HG1 ARG 6 -7.311 2.154 -5.429 45 1HD ARG 6 HD2 ARG 6 -7.839 -0.339 -5.675 46 2HD ARG 6 HD1 ARG 6 -9.453 0.181 -6.158 47 HE ARG 6 HE ARG 6 -7.030 0.372 -7.699 48 1HH1 ARG 6 HH11 ARG 6 -10.250 1.641 -7.246 49 2HH1 ARG 6 HH12 ARG 6 -10.382 2.226 -8.870 50 1HH2 ARG 6 HH21 ARG 6 -7.202 1.142 -9.834 51 2HH2 ARG 6 HH22 ARG 6 -8.652 1.943 -10.340 52 H THR 7 HN THR 7 -7.473 1.969 -0.856 53 HA THR 7 HA THR 7 -6.189 4.478 -1.265 54 HB THR 7 HB THR 7 -6.883 3.233 1.393 55 HG1 THR 7 HG1 THR 7 -8.598 4.749 -0.275 56 1HG2 THR 7 HG21 THR 7 -5.720 5.266 1.715 57 2HG2 THR 7 HG22 THR 7 -7.432 5.603 1.971 58 3HG2 THR 7 HG23 THR 7 -6.656 6.077 0.460 59 H CYS 8 HN CYS 8 -5.348 1.455 0.296 60 HA CYS 8 HA CYS 8 -2.866 2.332 1.376 61 1HB CYS 8 HB2 CYS 8 -4.006 0.355 2.255 62 2HB CYS 8 HB1 CYS 8 -3.834 -0.456 0.703 63 H ASP 9 HN ASP 9 -3.866 0.903 -1.666 64 HA ASP 9 HA ASP 9 -1.295 0.337 -2.678 65 1HB ASP 9 HB2 ASP 9 -3.540 -0.509 -3.553 66 2HB ASP 9 HB1 ASP 9 -3.700 1.051 -4.354 67 H LYS 10 HN LYS 10 -3.484 3.103 -3.196 68 HA LYS 10 HA LYS 10 -1.720 4.563 -4.832 69 1HB LYS 10 HB2 LYS 10 -3.137 6.504 -4.324 70 2HB LYS 10 HB1 LYS 10 -4.098 5.087 -4.724 71 1HG LYS 10 HG2 LYS 10 -4.675 4.739 -2.443 72 2HG LYS 10 HG1 LYS 10 -3.520 5.957 -1.904 73 1HD LYS 10 HD2 LYS 10 -5.468 7.167 -1.826 74 2HD LYS 10 HD1 LYS 10 -4.932 7.527 -3.468 75 1HE LYS 10 HE2 LYS 10 -6.514 5.104 -3.366 76 2HE LYS 10 HE1 LYS 10 -7.392 6.481 -2.700 77 1HZ LYS 10 HZ1 LYS 10 -7.354 7.585 -4.692 78 2HZ LYS 10 HZ2 LYS 10 -7.467 5.986 -5.233 79 3HZ LYS 10 HZ3 LYS 10 -5.975 6.782 -5.257 80 H ASP 11 HN ASP 11 -2.205 4.512 -1.333 81 HA ASP 11 HA ASP 11 -0.569 6.670 -0.648 82 1HB ASP 11 HB2 ASP 11 -2.117 4.956 0.755 83 2HB ASP 11 HB1 ASP 11 -0.521 4.342 1.162 84 H CYS 12 HN CYS 12 0.225 3.206 -0.805 85 HA CYS 12 HA CYS 12 2.967 3.518 -0.236 86 1HB CYS 12 HB2 CYS 12 1.573 1.378 -0.161 87 2HB CYS 12 HB1 CYS 12 1.804 1.293 -1.904 88 H LYS 13 HN LYS 13 1.181 3.352 -3.288 89 HA LYS 13 HA LYS 13 3.351 3.316 -5.040 90 1HB LYS 13 HB2 LYS 13 0.502 3.765 -5.207 91 2HB LYS 13 HB1 LYS 13 1.358 4.865 -6.278 92 1HG LYS 13 HG2 LYS 13 0.931 3.010 -7.605 93 2HG LYS 13 HG1 LYS 13 2.607 2.785 -7.101 94 1HD LYS 13 HD2 LYS 13 1.836 1.281 -5.305 95 2HD LYS 13 HD1 LYS 13 0.179 1.471 -5.882 96 1HE LYS 13 HE2 LYS 13 2.487 0.301 -7.433 97 2HE LYS 13 HE1 LYS 13 1.154 -0.600 -6.712 98 1HZ LYS 13 HZ1 LYS 13 0.940 1.396 -8.901 99 2HZ LYS 13 HZ2 LYS 13 -0.371 0.609 -8.179 100 3HZ LYS 13 HZ3 LYS 13 0.771 -0.280 -9.054 101 H ARG 14 HN ARG 14 1.757 5.998 -3.411 102 HA ARG 14 HA ARG 14 3.592 7.891 -4.677 103 1HB ARG 14 HB2 ARG 14 1.169 8.362 -2.933 104 2HB ARG 14 HB1 ARG 14 2.155 9.629 -3.647 105 1HG ARG 14 HG2 ARG 14 1.119 7.637 -5.541 106 2HG ARG 14 HG1 ARG 14 -0.099 8.642 -4.753 107 1HD ARG 14 HD2 ARG 14 1.023 10.649 -5.495 108 2HD ARG 14 HD1 ARG 14 2.339 9.697 -6.181 109 HE ARG 14 HE ARG 14 0.140 8.755 -7.458 110 1HH1 ARG 14 HH11 ARG 14 1.463 11.950 -6.983 111 2HH1 ARG 14 HH12 ARG 14 0.843 12.564 -8.478 112 1HH2 ARG 14 HH21 ARG 14 -0.675 9.562 -9.425 113 2HH2 ARG 14 HH22 ARG 14 -0.371 11.210 -9.864 114 H ARG 15 HN ARG 15 4.313 5.915 -2.534 115 HA ARG 15 HA ARG 15 5.352 7.851 -0.583 116 1HB ARG 15 HB2 ARG 15 3.890 5.363 -0.175 117 2HB ARG 15 HB1 ARG 15 5.413 5.395 0.702 118 1HG ARG 15 HG2 ARG 15 3.197 7.424 0.889 119 2HG ARG 15 HG1 ARG 15 3.627 6.215 2.100 120 1HD ARG 15 HD2 ARG 15 5.996 7.591 1.567 121 2HD ARG 15 HD1 ARG 15 4.748 8.834 1.632 122 HE ARG 15 HE ARG 15 5.742 7.255 3.818 123 1HH1 ARG 15 HH11 ARG 15 3.044 9.128 2.638 124 2HH1 ARG 15 HH12 ARG 15 2.430 9.473 4.220 125 1HH2 ARG 15 HH21 ARG 15 4.937 7.707 5.898 126 2HH2 ARG 15 HH22 ARG 15 3.505 8.667 6.072 127 H GLY 16 HN GLY 16 6.538 6.917 -3.092 128 1HA GLY 16 HA2 GLY 16 8.609 6.306 -3.863 129 2HA GLY 16 HA1 GLY 16 9.174 6.506 -2.212 130 H TYR 17 HN TYR 17 6.765 4.220 -3.445 131 HA TYR 17 HA TYR 17 8.617 2.028 -2.788 132 1HB TYR 17 HB2 TYR 17 5.751 2.389 -1.961 133 2HB TYR 17 HB1 TYR 17 6.445 0.777 -2.105 134 HD1 TYR 17 HD1 TYR 17 6.232 3.770 -0.095 135 HD2 TYR 17 HD2 TYR 17 8.392 0.149 -0.663 136 HE1 TYR 17 HE1 TYR 17 7.169 3.981 2.169 137 HE2 TYR 17 HE2 TYR 17 9.334 0.349 1.600 138 HH TYR 17 HH TYR 17 8.856 1.427 3.705 139 H ARG 18 HN ARG 18 7.653 -0.128 -3.684 140 HA ARG 18 HA ARG 18 7.087 0.369 -6.506 141 1HB ARG 18 HB2 ARG 18 8.468 -1.722 -4.984 142 2HB ARG 18 HB1 ARG 18 7.442 -2.343 -6.271 143 1HG ARG 18 HG2 ARG 18 9.373 -0.125 -6.810 144 2HG ARG 18 HG1 ARG 18 9.913 -1.804 -6.777 145 1HD ARG 18 HD2 ARG 18 9.395 -1.638 -8.987 146 2HD ARG 18 HD1 ARG 18 7.816 -2.118 -8.367 147 HE ARG 18 HE ARG 18 8.207 0.728 -8.459 148 1HH1 ARG 18 HH11 ARG 18 7.207 -2.082 -10.271 149 2HH1 ARG 18 HH12 ARG 18 6.231 -1.175 -11.378 150 1HH2 ARG 18 HH21 ARG 18 6.925 1.922 -9.913 151 2HH2 ARG 18 HH22 ARG 18 6.071 1.098 -11.175 152 H SER 19 HN SER 19 5.826 -1.507 -3.769 153 HA SER 19 HA SER 19 3.166 -1.347 -4.897 154 1HB SER 19 HB2 SER 19 2.737 -3.658 -5.119 155 2HB SER 19 HB1 SER 19 4.312 -3.426 -5.878 156 HG SER 19 HG SER 19 4.676 -5.093 -4.565 157 H GLY 20 HN GLY 20 1.529 -1.649 -3.383 158 1HA GLY 20 HA2 GLY 20 2.459 -2.032 -0.602 159 2HA GLY 20 HA1 GLY 20 1.259 -0.826 -1.042 160 H LYS 21 HN LYS 21 0.832 -2.787 0.913 161 HA LYS 21 HA LYS 21 -1.586 -3.965 -0.110 162 1HB LYS 21 HB2 LYS 21 0.295 -5.590 -0.690 163 2HB LYS 21 HB1 LYS 21 0.456 -5.860 1.040 164 1HG LYS 21 HG2 LYS 21 -1.585 -6.923 1.200 165 2HG LYS 21 HG1 LYS 21 -2.206 -6.176 -0.274 166 1HD LYS 21 HD2 LYS 21 -1.318 -7.765 -1.601 167 2HD LYS 21 HD1 LYS 21 0.165 -7.870 -0.651 168 1HE LYS 21 HE2 LYS 21 -1.672 -8.924 1.066 169 2HE LYS 21 HE1 LYS 21 -2.296 -9.455 -0.495 170 1HZ LYS 21 HZ1 LYS 21 0.563 -9.789 -0.052 171 2HZ LYS 21 HZ2 LYS 21 -0.536 -10.804 -0.841 172 3HZ LYS 21 HZ3 LYS 21 -0.458 -10.794 0.849 173 H CYS 22 HN CYS 22 -3.080 -4.253 1.470 174 HA CYS 22 HA CYS 22 -2.448 -3.230 4.085 175 1HB CYS 22 HB2 CYS 22 -4.572 -2.657 3.005 176 2HB CYS 22 HB1 CYS 22 -5.031 -4.356 2.983 177 H ILE 23 HN ILE 23 -1.390 -4.523 5.450 178 HA ILE 23 HA ILE 23 -2.437 -7.237 5.863 179 HB ILE 23 HB ILE 23 0.477 -6.483 6.082 180 1HG1 ILE 23 HG12 ILE 23 -0.379 -8.382 3.991 181 2HG1 ILE 23 HG11 ILE 23 -0.873 -6.713 3.725 182 1HG2 ILE 23 HG21 ILE 23 0.389 -8.312 7.404 183 2HG2 ILE 23 HG22 ILE 23 0.435 -9.158 5.857 184 3HG2 ILE 23 HG23 ILE 23 -1.106 -8.901 6.676 185 1HD1 ILE 23 HD11 ILE 23 1.714 -7.943 3.417 186 2HD1 ILE 23 HD12 ILE 23 1.788 -6.530 4.470 187 3HD1 ILE 23 HD13 ILE 23 1.128 -6.383 2.841 188 H ASN 24 HN ASN 24 -2.608 -7.931 7.969 189 HA ASN 24 HA ASN 24 -2.994 -7.686 10.206 190 1HB ASN 24 HB2 ASN 24 -0.298 -6.372 9.926 191 2HB ASN 24 HB1 ASN 24 -1.051 -6.704 11.481 192 1HD2 ASN 24 HD21 ASN 24 1.152 -7.815 9.384 193 2HD2 ASN 24 HD22 ASN 24 1.103 -9.503 9.745 194 H ASN 25 HN ASN 25 -4.519 -5.971 8.966 195 HA ASN 25 HA ASN 25 -5.598 -3.959 8.991 196 1HB ASN 25 HB2 ASN 25 -6.161 -3.149 11.199 197 2HB ASN 25 HB1 ASN 25 -6.141 -4.909 11.224 198 1HD2 ASN 25 HD21 ASN 25 -5.248 -5.726 12.959 199 2HD2 ASN 25 HD22 ASN 25 -3.964 -5.026 13.879 200 H ALA 26 HN ALA 26 -2.750 -3.849 8.342 201 HA ALA 26 HA ALA 26 -2.369 -0.993 8.822 202 1HB ALA 26 HB1 ALA 26 0.190 -1.741 9.072 203 2HB ALA 26 HB2 ALA 26 -0.592 -3.144 9.799 204 3HB ALA 26 HB3 ALA 26 -0.891 -1.532 10.450 205 H CYS 27 HN CYS 27 -1.798 0.039 7.015 206 HA CYS 27 HA CYS 27 -1.580 -1.305 4.550 207 1HB CYS 27 HB2 CYS 27 -2.393 1.008 4.751 208 2HB CYS 27 HB1 CYS 27 -0.786 1.531 5.243 209 H LYS 28 HN LYS 28 0.068 -2.635 4.126 210 HA LYS 28 HA LYS 28 2.755 -2.003 5.036 211 1HB LYS 28 HB2 LYS 28 1.316 -4.388 4.398 212 2HB LYS 28 HB1 LYS 28 2.740 -4.310 3.371 213 1HG LYS 28 HG2 LYS 28 3.198 -3.688 6.208 214 2HG LYS 28 HG1 LYS 28 2.715 -5.348 5.856 215 1HD LYS 28 HD2 LYS 28 4.566 -5.683 4.421 216 2HD LYS 28 HD1 LYS 28 4.932 -3.958 4.372 217 1HE LYS 28 HE2 LYS 28 5.033 -4.558 7.063 218 2HE LYS 28 HE1 LYS 28 5.732 -5.986 6.301 219 1HZ LYS 28 HZ1 LYS 28 6.745 -3.262 6.419 220 2HZ LYS 28 HZ2 LYS 28 6.985 -4.080 4.958 221 3HZ LYS 28 HZ3 LYS 28 7.585 -4.731 6.400 222 H CYS 29 HN CYS 29 4.591 -2.203 3.505 223 HA CYS 29 HA CYS 29 3.889 -1.300 0.803 224 1HB CYS 29 HB2 CYS 29 5.438 0.078 2.839 225 2HB CYS 29 HB1 CYS 29 6.279 -0.038 1.302 226 H TYR 30 HN TYR 30 5.690 -1.534 -0.768 227 HA TYR 30 HA TYR 30 7.644 -3.587 -0.055 228 1HB TYR 30 HB2 TYR 30 5.763 -3.822 -2.411 229 2HB TYR 30 HB1 TYR 30 7.097 -4.913 -2.054 230 HD1 TYR 30 HD1 TYR 30 3.706 -4.751 -1.967 231 HD2 TYR 30 HD2 TYR 30 6.954 -5.649 0.630 232 HE1 TYR 30 HE1 TYR 30 2.210 -6.122 -0.579 233 HE2 TYR 30 HE2 TYR 30 5.466 -7.022 2.025 234 HH TYR 30 HH TYR 30 2.644 -8.203 1.095 235 HA PRO 31 HA PRO 31 9.861 -0.534 -2.552 236 1HB PRO 31 HB2 PRO 31 12.333 -1.216 -1.733 237 2HB PRO 31 HB1 PRO 31 11.237 -0.273 -0.725 238 1HG PRO 31 HG2 PRO 31 11.879 -3.186 -0.598 239 2HG PRO 31 HG1 PRO 31 11.683 -2.023 0.725 240 1HD PRO 31 HD2 PRO 31 9.734 -3.778 -0.055 241 2HD PRO 31 HD1 PRO 31 9.403 -2.219 0.723 242 H TYR 32 HN TYR 32 10.982 -3.866 -2.172 243 HA TYR 32 HA TYR 32 12.663 -4.577 -3.952 244 1HB TYR 32 HB2 TYR 32 11.577 -6.623 -4.341 245 2HB TYR 32 HB1 TYR 32 10.954 -6.075 -2.793 246 HD1 TYR 32 HD1 TYR 32 8.849 -4.253 -3.393 247 HD2 TYR 32 HD2 TYR 32 9.943 -7.794 -5.482 248 HE1 TYR 32 HE1 TYR 32 6.552 -4.453 -4.243 249 HE2 TYR 32 HE2 TYR 32 7.646 -8.004 -6.338 250 HH TYR 32 HH TYR 32 5.657 -6.127 -6.752 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 -14.953 4.692 9.526 2 2H ALA 1 HT2 ALA 1 -13.238 4.764 9.515 3 3H ALA 1 HT3 ALA 1 -14.044 3.558 10.434 4 HA ALA 1 HA ALA 1 -14.945 2.639 8.409 5 1HB ALA 1 HB1 ALA 1 -15.022 4.242 6.793 6 2HB ALA 1 HB2 ALA 1 -13.504 3.462 6.345 7 3HB ALA 1 HB3 ALA 1 -13.485 4.961 7.275 8 H VAL 2 HN VAL 2 -13.362 1.451 6.734 9 HA VAL 2 HA VAL 2 -11.174 0.413 8.396 10 HB VAL 2 HB VAL 2 -11.887 -1.017 5.909 11 1HG1 VAL 2 HG11 VAL 2 -11.867 -2.863 7.834 12 2HG1 VAL 2 HG12 VAL 2 -10.922 -1.611 8.640 13 3HG1 VAL 2 HG13 VAL 2 -10.394 -2.249 7.083 14 1HG2 VAL 2 HG21 VAL 2 -13.783 -2.163 7.233 15 2HG2 VAL 2 HG22 VAL 2 -14.118 -0.619 6.450 16 3HG2 VAL 2 HG23 VAL 2 -13.809 -0.679 8.185 17 H CYS 3 HN CYS 3 -9.288 -0.456 7.121 18 HA CYS 3 HA CYS 3 -8.123 1.702 5.652 19 1HB CYS 3 HB2 CYS 3 -6.787 0.322 7.171 20 2HB CYS 3 HB1 CYS 3 -7.103 -1.097 6.180 21 H VAL 4 HN VAL 4 -8.335 2.068 3.548 22 HA VAL 4 HA VAL 4 -9.505 0.101 1.807 23 HB VAL 4 HB VAL 4 -8.297 2.711 0.921 24 1HG1 VAL 4 HG11 VAL 4 -10.142 2.556 -0.761 25 2HG1 VAL 4 HG12 VAL 4 -10.487 0.940 -0.145 26 3HG1 VAL 4 HG13 VAL 4 -8.926 1.285 -0.888 27 1HG2 VAL 4 HG21 VAL 4 -11.001 2.236 2.164 28 2HG2 VAL 4 HG22 VAL 4 -10.569 3.688 1.260 29 3HG2 VAL 4 HG23 VAL 4 -9.721 3.295 2.756 30 H TYR 5 HN TYR 5 -8.516 -1.208 0.402 31 HA TYR 5 HA TYR 5 -5.749 -1.690 0.587 32 1HB TYR 5 HB2 TYR 5 -7.891 -3.115 -0.234 33 2HB TYR 5 HB1 TYR 5 -7.186 -2.685 -1.783 34 HD1 TYR 5 HD1 TYR 5 -5.014 -3.569 -2.452 35 HD2 TYR 5 HD2 TYR 5 -6.739 -4.594 1.299 36 HE1 TYR 5 HE1 TYR 5 -3.408 -5.418 -2.226 37 HE2 TYR 5 HE2 TYR 5 -5.137 -6.444 1.538 38 HH TYR 5 HH TYR 5 -3.271 -7.395 0.705 39 H ARG 6 HN ARG 6 -7.691 -0.396 -2.105 40 HA ARG 6 HA ARG 6 -5.477 0.133 -3.770 41 1HB ARG 6 HB2 ARG 6 -8.120 -0.024 -4.174 42 2HB ARG 6 HB1 ARG 6 -7.938 1.720 -4.119 43 1HG ARG 6 HG2 ARG 6 -5.888 0.938 -5.777 44 2HG ARG 6 HG1 ARG 6 -7.198 -0.166 -6.199 45 1HD ARG 6 HD2 ARG 6 -8.020 2.631 -5.884 46 2HD ARG 6 HD1 ARG 6 -6.881 2.351 -7.201 47 HE ARG 6 HE ARG 6 -8.940 0.432 -7.308 48 1HH1 ARG 6 HH11 ARG 6 -8.386 3.833 -7.863 49 2HH1 ARG 6 HH12 ARG 6 -9.640 3.971 -9.049 50 1HH2 ARG 6 HH21 ARG 6 -10.590 0.613 -8.867 51 2HH2 ARG 6 HH22 ARG 6 -10.892 2.144 -9.619 52 H THR 7 HN THR 7 -7.181 2.094 -1.393 53 HA THR 7 HA THR 7 -5.959 4.550 -2.189 54 HB THR 7 HB THR 7 -7.036 4.105 0.567 55 HG1 THR 7 HG1 THR 7 -8.665 4.450 -1.723 56 1HG2 THR 7 HG21 THR 7 -6.317 6.332 0.116 57 2HG2 THR 7 HG22 THR 7 -8.080 6.312 0.142 58 3HG2 THR 7 HG23 THR 7 -7.222 6.370 -1.397 59 H CYS 8 HN CYS 8 -5.343 2.131 0.303 60 HA CYS 8 HA CYS 8 -3.177 3.565 1.484 61 1HB CYS 8 HB2 CYS 8 -4.636 1.631 2.452 62 2HB CYS 8 HB1 CYS 8 -3.470 0.587 1.652 63 H ASP 9 HN ASP 9 -3.515 1.216 -1.081 64 HA ASP 9 HA ASP 9 -0.774 0.587 -1.366 65 1HB ASP 9 HB2 ASP 9 -2.717 -0.740 -2.288 66 2HB ASP 9 HB1 ASP 9 -2.871 0.491 -3.537 67 H LYS 10 HN LYS 10 -2.900 2.861 -3.117 68 HA LYS 10 HA LYS 10 -0.839 3.855 -4.776 69 1HB LYS 10 HB2 LYS 10 -2.395 5.678 -5.315 70 2HB LYS 10 HB1 LYS 10 -3.164 4.103 -5.416 71 1HG LYS 10 HG2 LYS 10 -4.721 4.707 -3.964 72 2HG LYS 10 HG1 LYS 10 -3.507 5.204 -2.789 73 1HD LYS 10 HD2 LYS 10 -3.887 7.035 -5.060 74 2HD LYS 10 HD1 LYS 10 -5.266 6.888 -3.968 75 1HE LYS 10 HE2 LYS 10 -4.147 7.816 -2.208 76 2HE LYS 10 HE1 LYS 10 -2.576 7.239 -2.762 77 1HZ LYS 10 HZ1 LYS 10 -2.238 9.073 -3.988 78 2HZ LYS 10 HZ2 LYS 10 -3.375 9.773 -2.949 79 3HZ LYS 10 HZ3 LYS 10 -3.856 9.204 -4.467 80 H ASP 11 HN ASP 11 -2.129 4.920 -1.662 81 HA ASP 11 HA ASP 11 -0.743 7.358 -1.504 82 1HB ASP 11 HB2 ASP 11 -2.566 6.128 0.070 83 2HB ASP 11 HB1 ASP 11 -1.108 5.867 1.013 84 H CYS 12 HN CYS 12 0.084 4.155 -0.203 85 HA CYS 12 HA CYS 12 2.624 4.914 0.779 86 1HB CYS 12 HB2 CYS 12 1.332 2.873 1.470 87 2HB CYS 12 HB1 CYS 12 1.763 2.145 -0.074 88 H LYS 13 HN LYS 13 1.581 3.417 -2.261 89 HA LYS 13 HA LYS 13 4.103 2.945 -3.363 90 1HB LYS 13 HB2 LYS 13 1.364 3.339 -4.478 91 2HB LYS 13 HB1 LYS 13 2.727 3.371 -5.589 92 1HG LYS 13 HG2 LYS 13 3.225 1.157 -5.263 93 2HG LYS 13 HG1 LYS 13 2.496 1.118 -3.656 94 1HD LYS 13 HD2 LYS 13 0.963 -0.074 -4.914 95 2HD LYS 13 HD1 LYS 13 0.277 1.552 -4.939 96 1HE LYS 13 HE2 LYS 13 1.941 1.597 -7.107 97 2HE LYS 13 HE1 LYS 13 1.367 -0.070 -7.119 98 1HZ LYS 13 HZ1 LYS 13 -0.910 1.246 -6.702 99 2HZ LYS 13 HZ2 LYS 13 -0.339 0.834 -8.239 100 3HZ LYS 13 HZ3 LYS 13 -0.079 2.391 -7.631 101 H ARG 14 HN ARG 14 2.135 5.857 -3.282 102 HA ARG 14 HA ARG 14 3.697 7.348 -5.122 103 1HB ARG 14 HB2 ARG 14 1.281 7.737 -4.000 104 2HB ARG 14 HB1 ARG 14 2.247 8.796 -2.982 105 1HG ARG 14 HG2 ARG 14 3.144 9.742 -5.208 106 2HG ARG 14 HG1 ARG 14 1.730 8.963 -5.921 107 1HD ARG 14 HD2 ARG 14 1.154 11.229 -5.427 108 2HD ARG 14 HD1 ARG 14 0.314 10.190 -4.277 109 HE ARG 14 HE ARG 14 2.829 11.154 -3.295 110 1HH1 ARG 14 HH11 ARG 14 -0.553 11.925 -3.679 111 2HH1 ARG 14 HH12 ARG 14 -0.575 13.047 -2.361 112 1HH2 ARG 14 HH21 ARG 14 2.802 12.630 -1.561 113 2HH2 ARG 14 HH22 ARG 14 1.329 13.448 -1.158 114 H ARG 15 HN ARG 15 4.200 6.445 -1.856 115 HA ARG 15 HA ARG 15 5.811 8.654 -1.060 116 1HB ARG 15 HB2 ARG 15 4.640 6.763 0.353 117 2HB ARG 15 HB1 ARG 15 6.168 5.927 0.115 118 1HG ARG 15 HG2 ARG 15 7.271 7.261 1.542 119 2HG ARG 15 HG1 ARG 15 6.410 8.709 1.017 120 1HD ARG 15 HD2 ARG 15 4.419 7.355 2.255 121 2HD ARG 15 HD1 ARG 15 5.811 6.833 3.204 122 HE ARG 15 HE ARG 15 5.885 9.629 2.885 123 1HH1 ARG 15 HH11 ARG 15 4.089 7.152 4.563 124 2HH1 ARG 15 HH12 ARG 15 3.644 8.189 5.877 125 1HH2 ARG 15 HH21 ARG 15 5.302 10.993 4.612 126 2HH2 ARG 15 HH22 ARG 15 4.333 10.370 5.904 127 H GLY 16 HN GLY 16 6.657 5.314 -1.984 128 1HA GLY 16 HA2 GLY 16 8.713 5.898 -3.719 129 2HA GLY 16 HA1 GLY 16 9.443 5.870 -2.122 130 H TYR 17 HN TYR 17 6.793 3.853 -3.309 131 HA TYR 17 HA TYR 17 8.583 1.524 -3.180 132 1HB TYR 17 HB2 TYR 17 5.766 1.652 -2.085 133 2HB TYR 17 HB1 TYR 17 6.798 0.227 -2.108 134 HD1 TYR 17 HD1 TYR 17 8.585 -0.039 -0.513 135 HD2 TYR 17 HD2 TYR 17 6.239 3.509 -0.555 136 HE1 TYR 17 HE1 TYR 17 9.500 0.585 1.683 137 HE2 TYR 17 HE2 TYR 17 7.148 4.144 1.640 138 HH TYR 17 HH TYR 17 8.195 3.148 3.557 139 H ARG 18 HN ARG 18 7.368 -0.466 -4.128 140 HA ARG 18 HA ARG 18 6.351 0.366 -6.740 141 1HB ARG 18 HB2 ARG 18 7.841 -1.956 -5.705 142 2HB ARG 18 HB1 ARG 18 6.614 -2.345 -6.904 143 1HG ARG 18 HG2 ARG 18 7.940 -0.151 -7.965 144 2HG ARG 18 HG1 ARG 18 9.215 -1.134 -7.243 145 1HD ARG 18 HD2 ARG 18 9.138 -2.233 -9.206 146 2HD ARG 18 HD1 ARG 18 7.752 -3.043 -8.478 147 HE ARG 18 HE ARG 18 7.075 -0.624 -9.875 148 1HH1 ARG 18 HH11 ARG 18 7.615 -4.057 -10.197 149 2HH1 ARG 18 HH12 ARG 18 6.651 -4.201 -11.628 150 1HH2 ARG 18 HH21 ARG 18 5.804 -0.812 -11.756 151 2HH2 ARG 18 HH22 ARG 18 5.623 -2.359 -12.513 152 H SER 19 HN SER 19 5.495 -1.630 -3.960 153 HA SER 19 HA SER 19 2.692 -1.435 -4.709 154 1HB SER 19 HB2 SER 19 2.746 -4.069 -3.990 155 2HB SER 19 HB1 SER 19 2.737 -3.493 -5.657 156 HG SER 19 HG SER 19 5.135 -3.879 -4.209 157 H GLY 20 HN GLY 20 1.403 -2.800 -2.913 158 1HA GLY 20 HA2 GLY 20 2.522 -2.997 -0.331 159 2HA GLY 20 HA1 GLY 20 1.753 -1.427 -0.502 160 H LYS 21 HN LYS 21 0.944 -3.371 1.355 161 HA LYS 21 HA LYS 21 -1.817 -3.727 0.490 162 1HB LYS 21 HB2 LYS 21 -0.188 -6.008 1.624 163 2HB LYS 21 HB1 LYS 21 -1.901 -6.056 1.233 164 1HG LYS 21 HG2 LYS 21 -1.110 -7.009 -0.653 165 2HG LYS 21 HG1 LYS 21 -0.960 -5.323 -1.150 166 1HD LYS 21 HD2 LYS 21 1.307 -5.353 -1.037 167 2HD LYS 21 HD1 LYS 21 1.330 -6.480 0.321 168 1HE LYS 21 HE2 LYS 21 2.198 -7.742 -1.425 169 2HE LYS 21 HE1 LYS 21 0.500 -8.217 -1.391 170 1HZ LYS 21 HZ1 LYS 21 1.561 -7.652 -3.633 171 2HZ LYS 21 HZ2 LYS 21 1.424 -6.037 -3.152 172 3HZ LYS 21 HZ3 LYS 21 0.039 -6.997 -3.290 173 H CYS 22 HN CYS 22 -3.310 -3.758 2.176 174 HA CYS 22 HA CYS 22 -2.217 -2.920 4.768 175 1HB CYS 22 HB2 CYS 22 -3.988 -1.579 3.339 176 2HB CYS 22 HB1 CYS 22 -5.122 -2.690 4.100 177 H ILE 23 HN ILE 23 -1.868 -4.730 5.935 178 HA ILE 23 HA ILE 23 -4.201 -6.419 6.485 179 HB ILE 23 HB ILE 23 -1.400 -7.492 6.161 180 1HG1 ILE 23 HG12 ILE 23 -2.363 -6.740 4.005 181 2HG1 ILE 23 HG11 ILE 23 -2.153 -8.487 4.073 182 1HG2 ILE 23 HG21 ILE 23 -2.512 -8.898 7.651 183 2HG2 ILE 23 HG22 ILE 23 -2.743 -9.681 6.087 184 3HG2 ILE 23 HG23 ILE 23 -4.050 -8.737 6.802 185 1HD1 ILE 23 HD11 ILE 23 -4.439 -8.872 4.244 186 2HD1 ILE 23 HD12 ILE 23 -4.313 -7.558 3.074 187 3HD1 ILE 23 HD13 ILE 23 -4.777 -7.214 4.741 188 H ASN 24 HN ASN 24 -4.082 -7.563 8.539 189 HA ASN 24 HA ASN 24 -3.949 -7.432 10.816 190 1HB ASN 24 HB2 ASN 24 -1.765 -7.777 11.694 191 2HB ASN 24 HB1 ASN 24 -1.882 -8.616 10.157 192 1HD2 ASN 24 HD21 ASN 24 -0.335 -8.287 8.718 193 2HD2 ASN 24 HD22 ASN 24 0.825 -7.007 8.762 194 H ASN 25 HN ASN 25 -4.322 -4.952 9.449 195 HA ASN 25 HA ASN 25 -4.627 -2.753 9.982 196 1HB ASN 25 HB2 ASN 25 -4.456 -4.031 12.463 197 2HB ASN 25 HB1 ASN 25 -3.340 -2.675 12.584 198 1HD2 ASN 25 HD21 ASN 25 -6.557 -3.663 12.695 199 2HD2 ASN 25 HD22 ASN 25 -7.296 -2.103 12.767 200 H ALA 26 HN ALA 26 -2.325 -3.598 8.593 201 HA ALA 26 HA ALA 26 -0.620 -1.301 9.071 202 1HB ALA 26 HB1 ALA 26 1.432 -2.517 9.249 203 2HB ALA 26 HB2 ALA 26 0.604 -4.053 8.998 204 3HB ALA 26 HB3 ALA 26 0.326 -3.133 10.477 205 H CYS 27 HN CYS 27 0.100 -0.459 7.200 206 HA CYS 27 HA CYS 27 -0.603 -1.812 4.736 207 1HB CYS 27 HB2 CYS 27 -0.791 0.764 5.496 208 2HB CYS 27 HB1 CYS 27 0.775 0.807 4.701 209 H LYS 28 HN LYS 28 0.938 -3.480 4.665 210 HA LYS 28 HA LYS 28 3.743 -2.954 4.847 211 1HB LYS 28 HB2 LYS 28 2.278 -5.194 5.121 212 2HB LYS 28 HB1 LYS 28 2.798 -5.395 3.454 213 1HG LYS 28 HG2 LYS 28 4.430 -6.504 4.665 214 2HG LYS 28 HG1 LYS 28 5.160 -4.928 4.354 215 1HD LYS 28 HD2 LYS 28 4.004 -4.352 6.669 216 2HD LYS 28 HD1 LYS 28 4.155 -6.095 6.897 217 1HE LYS 28 HE2 LYS 28 6.556 -4.744 5.863 218 2HE LYS 28 HE1 LYS 28 6.089 -4.297 7.503 219 1HZ LYS 28 HZ1 LYS 28 6.384 -6.442 8.262 220 2HZ LYS 28 HZ2 LYS 28 7.647 -6.295 7.146 221 3HZ LYS 28 HZ3 LYS 28 6.241 -7.135 6.725 222 H CYS 29 HN CYS 29 4.850 -1.897 3.352 223 HA CYS 29 HA CYS 29 3.944 -1.948 0.576 224 1HB CYS 29 HB2 CYS 29 5.130 0.021 2.248 225 2HB CYS 29 HB1 CYS 29 6.214 -0.276 0.896 226 H TYR 30 HN TYR 30 5.580 -2.136 -1.146 227 HA TYR 30 HA TYR 30 7.940 -3.698 -0.399 228 1HB TYR 30 HB2 TYR 30 5.992 -4.559 -2.547 229 2HB TYR 30 HB1 TYR 30 7.483 -5.383 -2.103 230 HD1 TYR 30 HD1 TYR 30 4.222 -4.293 -0.655 231 HD2 TYR 30 HD2 TYR 30 7.416 -7.101 -0.540 232 HE1 TYR 30 HE1 TYR 30 2.985 -5.623 1.001 233 HE2 TYR 30 HE2 TYR 30 6.187 -8.440 1.117 234 HH TYR 30 HH TYR 30 2.973 -8.122 1.719 235 HA PRO 31 HA PRO 31 9.606 -0.852 -3.417 236 1HB PRO 31 HB2 PRO 31 12.171 -1.684 -3.327 237 2HB PRO 31 HB1 PRO 31 11.441 -0.740 -2.023 238 1HG PRO 31 HG2 PRO 31 11.897 -3.694 -2.196 239 2HG PRO 31 HG1 PRO 31 12.165 -2.598 -0.827 240 1HD PRO 31 HD2 PRO 31 9.963 -4.182 -1.054 241 2HD PRO 31 HD1 PRO 31 9.950 -2.617 -0.217 242 H TYR 32 HN TYR 32 11.553 -1.329 -5.185 243 HA TYR 32 HA TYR 32 10.291 -2.817 -7.210 244 1HB TYR 32 HB2 TYR 32 12.397 -1.004 -7.066 245 2HB TYR 32 HB1 TYR 32 13.153 -2.489 -7.634 246 HD1 TYR 32 HD1 TYR 32 11.619 0.444 -8.674 247 HD2 TYR 32 HD2 TYR 32 11.700 -3.720 -9.544 248 HE1 TYR 32 HE1 TYR 32 10.803 0.909 -10.947 249 HE2 TYR 32 HE2 TYR 32 10.884 -3.267 -11.819 250 HH TYR 32 HH TYR 32 9.454 -1.255 -12.895 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 -13.926 5.543 9.771 2 2H ALA 1 HT2 ALA 1 -12.414 5.771 10.550 3 3H ALA 1 HT3 ALA 1 -13.187 4.239 10.603 4 HA ALA 1 HA ALA 1 -13.059 4.350 8.087 5 1HB ALA 1 HB1 ALA 1 -12.078 6.813 8.541 6 2HB ALA 1 HB2 ALA 1 -11.699 5.860 7.106 7 3HB ALA 1 HB3 ALA 1 -10.575 5.893 8.465 8 H VAL 2 HN VAL 2 -11.766 2.726 7.311 9 HA VAL 2 HA VAL 2 -9.721 1.673 9.157 10 HB VAL 2 HB VAL 2 -11.013 -0.300 7.394 11 1HG1 VAL 2 HG11 VAL 2 -9.361 -0.341 9.586 12 2HG1 VAL 2 HG12 VAL 2 -10.238 -1.723 8.930 13 3HG1 VAL 2 HG13 VAL 2 -10.924 -0.795 10.264 14 1HG2 VAL 2 HG21 VAL 2 -12.909 -0.547 9.110 15 2HG2 VAL 2 HG22 VAL 2 -13.056 0.722 7.894 16 3HG2 VAL 2 HG23 VAL 2 -12.556 1.128 9.536 17 H CYS 3 HN CYS 3 -8.204 0.137 8.042 18 HA CYS 3 HA CYS 3 -6.955 1.473 5.878 19 1HB CYS 3 HB2 CYS 3 -5.655 0.202 7.501 20 2HB CYS 3 HB1 CYS 3 -6.464 -1.285 7.022 21 H VAL 4 HN VAL 4 -7.261 1.292 3.758 22 HA VAL 4 HA VAL 4 -8.863 -0.976 2.774 23 HB VAL 4 HB VAL 4 -8.561 1.715 1.441 24 1HG1 VAL 4 HG11 VAL 4 -10.293 -0.689 0.931 25 2HG1 VAL 4 HG12 VAL 4 -9.159 0.097 -0.166 26 3HG1 VAL 4 HG13 VAL 4 -10.664 0.905 0.273 27 1HG2 VAL 4 HG21 VAL 4 -10.907 0.735 3.060 28 2HG2 VAL 4 HG22 VAL 4 -10.714 2.316 2.303 29 3HG2 VAL 4 HG23 VAL 4 -9.687 1.858 3.661 30 H TYR 5 HN TYR 5 -8.297 -1.942 0.791 31 HA TYR 5 HA TYR 5 -5.540 -2.287 0.367 32 1HB TYR 5 HB2 TYR 5 -7.646 -3.767 -0.262 33 2HB TYR 5 HB1 TYR 5 -7.461 -2.939 -1.801 34 HD1 TYR 5 HD1 TYR 5 -5.676 -5.081 0.643 35 HD2 TYR 5 HD2 TYR 5 -5.817 -3.608 -3.346 36 HE1 TYR 5 HE1 TYR 5 -3.921 -6.678 -0.003 37 HE2 TYR 5 HE2 TYR 5 -4.063 -5.201 -4.003 38 HH TYR 5 HH TYR 5 -2.162 -6.452 -2.787 39 H ARG 6 HN ARG 6 -7.980 -0.632 -1.630 40 HA ARG 6 HA ARG 6 -6.188 0.288 -3.586 41 1HB ARG 6 HB2 ARG 6 -8.852 0.233 -3.405 42 2HB ARG 6 HB1 ARG 6 -8.581 1.907 -2.958 43 1HG ARG 6 HG2 ARG 6 -7.827 2.493 -5.031 44 2HG ARG 6 HG1 ARG 6 -7.232 0.871 -5.390 45 1HD ARG 6 HD2 ARG 6 -10.161 1.251 -5.049 46 2HD ARG 6 HD1 ARG 6 -9.414 1.847 -6.531 47 HE ARG 6 HE ARG 6 -8.483 -0.708 -6.267 48 1HH1 ARG 6 HH11 ARG 6 -11.646 0.759 -6.420 49 2HH1 ARG 6 HH12 ARG 6 -12.389 -0.623 -7.151 50 1HH2 ARG 6 HH21 ARG 6 -9.458 -2.526 -7.230 51 2HH2 ARG 6 HH22 ARG 6 -11.147 -2.489 -7.611 52 H THR 7 HN THR 7 -7.200 1.621 -0.505 53 HA THR 7 HA THR 7 -6.034 4.196 -0.922 54 HB THR 7 HB THR 7 -6.734 2.847 1.689 55 HG1 THR 7 HG1 THR 7 -8.300 4.342 -0.123 56 1HG2 THR 7 HG21 THR 7 -7.089 5.137 2.505 57 2HG2 THR 7 HG22 THR 7 -6.439 5.755 0.987 58 3HG2 THR 7 HG23 THR 7 -5.411 4.817 2.070 59 H CYS 8 HN CYS 8 -5.059 1.207 0.646 60 HA CYS 8 HA CYS 8 -2.590 2.190 1.663 61 1HB CYS 8 HB2 CYS 8 -3.649 0.189 2.595 62 2HB CYS 8 HB1 CYS 8 -3.463 -0.644 1.056 63 H ASP 9 HN ASP 9 -3.568 0.591 -1.314 64 HA ASP 9 HA ASP 9 -0.980 0.159 -2.351 65 1HB ASP 9 HB2 ASP 9 -3.444 -0.636 -3.105 66 2HB ASP 9 HB1 ASP 9 -3.187 0.666 -4.262 67 H LYS 10 HN LYS 10 -3.374 2.724 -2.973 68 HA LYS 10 HA LYS 10 -1.785 4.220 -4.732 69 1HB LYS 10 HB2 LYS 10 -3.319 6.054 -4.327 70 2HB LYS 10 HB1 LYS 10 -4.215 4.548 -4.460 71 1HG LYS 10 HG2 LYS 10 -4.415 4.440 -2.034 72 2HG LYS 10 HG1 LYS 10 -3.493 5.938 -1.887 73 1HD LYS 10 HD2 LYS 10 -5.877 6.379 -1.692 74 2HD LYS 10 HD1 LYS 10 -5.228 7.121 -3.155 75 1HE LYS 10 HE2 LYS 10 -6.079 4.486 -3.797 76 2HE LYS 10 HE1 LYS 10 -7.374 5.276 -2.899 77 1HZ LYS 10 HZ1 LYS 10 -7.895 6.097 -4.903 78 2HZ LYS 10 HZ2 LYS 10 -6.353 5.838 -5.548 79 3HZ LYS 10 HZ3 LYS 10 -6.654 7.207 -4.602 80 H ASP 11 HN ASP 11 -2.173 4.445 -1.207 81 HA ASP 11 HA ASP 11 -0.574 6.693 -0.782 82 1HB ASP 11 HB2 ASP 11 -2.026 5.069 0.824 83 2HB ASP 11 HB1 ASP 11 -0.399 4.556 1.240 84 H CYS 12 HN CYS 12 0.300 3.251 -0.692 85 HA CYS 12 HA CYS 12 3.042 3.637 -0.200 86 1HB CYS 12 HB2 CYS 12 1.699 1.482 0.016 87 2HB CYS 12 HB1 CYS 12 1.874 1.313 -1.727 88 H LYS 13 HN LYS 13 1.235 3.239 -3.229 89 HA LYS 13 HA LYS 13 3.428 3.191 -4.967 90 1HB LYS 13 HB2 LYS 13 0.584 3.316 -5.188 91 2HB LYS 13 HB1 LYS 13 1.273 4.527 -6.259 92 1HG LYS 13 HG2 LYS 13 1.112 2.635 -7.590 93 2HG LYS 13 HG1 LYS 13 2.803 2.645 -7.086 94 1HD LYS 13 HD2 LYS 13 2.575 0.782 -5.819 95 2HD LYS 13 HD1 LYS 13 0.930 1.191 -5.327 96 1HE LYS 13 HE2 LYS 13 0.740 -0.735 -6.677 97 2HE LYS 13 HE1 LYS 13 0.223 0.615 -7.685 98 1HZ LYS 13 HZ1 LYS 13 2.070 0.469 -8.993 99 2HZ LYS 13 HZ2 LYS 13 1.894 -1.161 -8.578 100 3HZ LYS 13 HZ3 LYS 13 3.036 -0.204 -7.778 101 H ARG 14 HN ARG 14 1.709 5.869 -3.484 102 HA ARG 14 HA ARG 14 3.253 7.805 -5.015 103 1HB ARG 14 HB2 ARG 14 0.757 7.835 -3.505 104 2HB ARG 14 HB1 ARG 14 1.771 9.230 -3.163 105 1HG ARG 14 HG2 ARG 14 1.548 10.083 -5.253 106 2HG ARG 14 HG1 ARG 14 1.390 8.495 -6.006 107 1HD ARG 14 HD2 ARG 14 -0.792 9.230 -4.181 108 2HD ARG 14 HD1 ARG 14 -0.659 10.236 -5.622 109 HE ARG 14 HE ARG 14 -1.497 7.493 -5.494 110 1HH1 ARG 14 HH11 ARG 14 -0.092 9.953 -7.531 111 2HH1 ARG 14 HH12 ARG 14 -0.598 9.198 -9.005 112 1HH2 ARG 14 HH21 ARG 14 -2.165 6.500 -7.431 113 2HH2 ARG 14 HH22 ARG 14 -1.776 7.238 -8.949 114 H ARG 15 HN ARG 15 4.116 5.963 -2.582 115 HA ARG 15 HA ARG 15 5.420 8.116 -1.070 116 1HB ARG 15 HB2 ARG 15 3.861 6.172 -0.037 117 2HB ARG 15 HB1 ARG 15 5.424 5.370 0.031 118 1HG ARG 15 HG2 ARG 15 6.206 6.729 1.654 119 2HG ARG 15 HG1 ARG 15 5.336 8.138 1.046 120 1HD ARG 15 HD2 ARG 15 3.803 7.846 2.624 121 2HD ARG 15 HD1 ARG 15 3.398 6.279 1.922 122 HE ARG 15 HE ARG 15 5.561 5.710 3.422 123 1HH1 ARG 15 HH11 ARG 15 2.591 7.402 4.128 124 2HH1 ARG 15 HH12 ARG 15 2.583 6.947 5.798 125 1HH2 ARG 15 HH21 ARG 15 5.550 5.109 5.617 126 2HH2 ARG 15 HH22 ARG 15 4.263 5.645 6.644 127 H GLY 16 HN GLY 16 6.319 7.039 -3.622 128 1HA GLY 16 HA2 GLY 16 8.290 6.421 -4.618 129 2HA GLY 16 HA1 GLY 16 9.060 6.797 -3.084 130 H TYR 17 HN TYR 17 6.666 4.299 -3.903 131 HA TYR 17 HA TYR 17 8.677 2.269 -3.186 132 1HB TYR 17 HB2 TYR 17 5.801 2.448 -2.295 133 2HB TYR 17 HB1 TYR 17 6.721 0.948 -2.219 134 HD1 TYR 17 HD1 TYR 17 9.266 1.555 -1.198 135 HD2 TYR 17 HD2 TYR 17 5.569 3.420 -0.225 136 HE1 TYR 17 HE1 TYR 17 10.187 2.228 0.980 137 HE2 TYR 17 HE2 TYR 17 6.480 4.100 1.957 138 HH TYR 17 HH TYR 17 8.731 4.518 2.963 139 H ARG 18 HN ARG 18 7.886 0.014 -3.882 140 HA ARG 18 HA ARG 18 7.255 0.190 -6.701 141 1HB ARG 18 HB2 ARG 18 8.786 -1.539 -5.098 142 2HB ARG 18 HB1 ARG 18 7.464 -2.515 -5.724 143 1HG ARG 18 HG2 ARG 18 9.466 -2.575 -7.151 144 2HG ARG 18 HG1 ARG 18 8.048 -1.943 -7.988 145 1HD ARG 18 HD2 ARG 18 9.342 0.263 -6.804 146 2HD ARG 18 HD1 ARG 18 10.600 -0.714 -7.562 147 HE ARG 18 HE ARG 18 8.523 -0.472 -9.394 148 1HH1 ARG 18 HH11 ARG 18 10.820 1.602 -7.781 149 2HH1 ARG 18 HH12 ARG 18 10.872 2.756 -9.070 150 1HH2 ARG 18 HH21 ARG 18 8.591 1.045 -11.091 151 2HH2 ARG 18 HH22 ARG 18 9.607 2.441 -10.949 152 H SER 19 HN SER 19 5.869 -1.363 -3.816 153 HA SER 19 HA SER 19 3.217 -1.081 -4.868 154 1HB SER 19 HB2 SER 19 2.752 -3.592 -4.697 155 2HB SER 19 HB1 SER 19 3.660 -3.050 -6.108 156 HG SER 19 HG SER 19 4.994 -4.555 -5.460 157 H GLY 20 HN GLY 20 1.579 -1.582 -3.329 158 1HA GLY 20 HA2 GLY 20 2.613 -2.009 -0.593 159 2HA GLY 20 HA1 GLY 20 1.385 -0.805 -0.953 160 H LYS 21 HN LYS 21 1.040 -2.822 0.951 161 HA LYS 21 HA LYS 21 -1.362 -4.055 -0.084 162 1HB LYS 21 HB2 LYS 21 0.562 -5.639 -0.593 163 2HB LYS 21 HB1 LYS 21 0.730 -5.846 1.145 164 1HG LYS 21 HG2 LYS 21 -1.224 -7.023 1.336 165 2HG LYS 21 HG1 LYS 21 -1.940 -6.277 -0.095 166 1HD LYS 21 HD2 LYS 21 -1.361 -8.083 -1.259 167 2HD LYS 21 HD1 LYS 21 0.331 -7.659 -0.999 168 1HE LYS 21 HE2 LYS 21 0.480 -9.637 0.036 169 2HE LYS 21 HE1 LYS 21 -0.343 -8.839 1.375 170 1HZ LYS 21 HZ1 LYS 21 -1.233 -11.059 0.226 171 2HZ LYS 21 HZ2 LYS 21 -2.055 -9.915 -0.711 172 3HZ LYS 21 HZ3 LYS 21 -2.253 -9.931 0.968 173 H CYS 22 HN CYS 22 -2.880 -3.872 1.421 174 HA CYS 22 HA CYS 22 -2.113 -3.243 4.152 175 1HB CYS 22 HB2 CYS 22 -3.827 -1.863 3.115 176 2HB CYS 22 HB1 CYS 22 -4.815 -3.284 2.794 177 H ILE 23 HN ILE 23 -1.911 -4.762 5.638 178 HA ILE 23 HA ILE 23 -3.699 -7.084 5.562 179 HB ILE 23 HB ILE 23 -0.754 -7.257 6.198 180 1HG1 ILE 23 HG12 ILE 23 -1.184 -6.822 3.793 181 2HG1 ILE 23 HG11 ILE 23 -0.493 -8.417 4.078 182 1HG2 ILE 23 HG21 ILE 23 -1.627 -9.788 5.685 183 2HG2 ILE 23 HG22 ILE 23 -3.025 -9.080 6.494 184 3HG2 ILE 23 HG23 ILE 23 -1.453 -9.084 7.292 185 1HD1 ILE 23 HD11 ILE 23 -3.444 -7.982 3.773 186 2HD1 ILE 23 HD12 ILE 23 -2.535 -9.489 3.655 187 3HD1 ILE 23 HD13 ILE 23 -2.375 -8.262 2.398 188 H ASN 24 HN ASN 24 -4.551 -7.637 7.498 189 HA ASN 24 HA ASN 24 -5.210 -7.345 9.668 190 1HB ASN 24 HB2 ASN 24 -2.214 -7.318 10.019 191 2HB ASN 24 HB1 ASN 24 -3.373 -7.523 11.327 192 1HD2 ASN 24 HD21 ASN 24 -4.672 -9.412 11.358 193 2HD2 ASN 24 HD22 ASN 24 -4.149 -10.855 10.565 194 H ASN 25 HN ASN 25 -5.679 -5.092 8.576 195 HA ASN 25 HA ASN 25 -5.799 -2.820 8.727 196 1HB ASN 25 HB2 ASN 25 -6.181 -1.969 10.944 197 2HB ASN 25 HB1 ASN 25 -6.870 -3.586 10.852 198 1HD2 ASN 25 HD21 ASN 25 -4.325 -1.621 12.167 199 2HD2 ASN 25 HD22 ASN 25 -3.798 -2.749 13.365 200 H ALA 26 HN ALA 26 -3.138 -3.928 8.243 201 HA ALA 26 HA ALA 26 -1.565 -1.624 9.179 202 1HB ALA 26 HB1 ALA 26 0.179 -2.884 9.913 203 2HB ALA 26 HB2 ALA 26 -0.140 -4.192 8.774 204 3HB ALA 26 HB3 ALA 26 -1.124 -4.029 10.229 205 H CYS 27 HN CYS 27 -1.392 -0.455 7.356 206 HA CYS 27 HA CYS 27 -1.284 -1.542 4.748 207 1HB CYS 27 HB2 CYS 27 -2.056 0.752 5.226 208 2HB CYS 27 HB1 CYS 27 -0.421 1.196 5.702 209 H LYS 28 HN LYS 28 0.334 -2.834 4.137 210 HA LYS 28 HA LYS 28 3.055 -2.312 5.030 211 1HB LYS 28 HB2 LYS 28 1.724 -4.635 4.673 212 2HB LYS 28 HB1 LYS 28 2.520 -4.502 3.111 213 1HG LYS 28 HG2 LYS 28 4.074 -5.688 4.295 214 2HG LYS 28 HG1 LYS 28 4.643 -4.039 4.562 215 1HD LYS 28 HD2 LYS 28 4.253 -4.154 6.763 216 2HD LYS 28 HD1 LYS 28 2.664 -4.884 6.526 217 1HE LYS 28 HE2 LYS 28 3.441 -6.923 6.979 218 2HE LYS 28 HE1 LYS 28 4.795 -6.729 5.866 219 1HZ LYS 28 HZ1 LYS 28 5.073 -6.954 8.501 220 2HZ LYS 28 HZ2 LYS 28 5.002 -5.270 8.366 221 3HZ LYS 28 HZ3 LYS 28 6.179 -6.137 7.516 222 H CYS 29 HN CYS 29 4.839 -2.405 3.430 223 HA CYS 29 HA CYS 29 4.077 -1.344 0.806 224 1HB CYS 29 HB2 CYS 29 5.597 -0.014 2.905 225 2HB CYS 29 HB1 CYS 29 6.387 0.022 1.336 226 H TYR 30 HN TYR 30 5.827 -1.465 -0.808 227 HA TYR 30 HA TYR 30 7.936 -3.390 -0.189 228 1HB TYR 30 HB2 TYR 30 6.082 -3.733 -2.551 229 2HB TYR 30 HB1 TYR 30 7.423 -4.782 -2.105 230 HD1 TYR 30 HD1 TYR 30 7.185 -5.457 0.583 231 HD2 TYR 30 HD2 TYR 30 4.026 -4.682 -2.159 232 HE1 TYR 30 HE1 TYR 30 5.669 -6.824 1.953 233 HE2 TYR 30 HE2 TYR 30 2.501 -6.046 -0.796 234 HH TYR 30 HH TYR 30 2.827 -6.764 2.171 235 HA PRO 31 HA PRO 31 9.854 -0.218 -2.769 236 1HB PRO 31 HB2 PRO 31 12.372 -0.620 -1.956 237 2HB PRO 31 HB1 PRO 31 11.185 0.175 -0.923 238 1HG PRO 31 HG2 PRO 31 12.170 -2.640 -0.842 239 2HG PRO 31 HG1 PRO 31 11.837 -1.531 0.499 240 1HD PRO 31 HD2 PRO 31 10.114 -3.505 -0.360 241 2HD PRO 31 HD1 PRO 31 9.616 -2.053 0.531 242 H TYR 32 HN TYR 32 11.224 -3.446 -2.350 243 HA TYR 32 HA TYR 32 12.978 -4.002 -4.134 244 1HB TYR 32 HB2 TYR 32 12.096 -6.166 -4.479 245 2HB TYR 32 HB1 TYR 32 11.526 -5.661 -2.899 246 HD1 TYR 32 HD1 TYR 32 10.494 -7.689 -5.221 247 HD2 TYR 32 HD2 TYR 32 9.223 -3.950 -3.637 248 HE1 TYR 32 HE1 TYR 32 8.188 -8.185 -5.913 249 HE2 TYR 32 HE2 TYR 32 6.915 -4.437 -4.324 250 HH TYR 32 HH TYR 32 5.568 -6.720 -4.768 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 -14.375 4.030 9.790 2 2H ALA 1 HT2 ALA 1 -13.803 5.564 10.306 3 3H ALA 1 HT3 ALA 1 -13.163 4.129 10.997 4 HA ALA 1 HA ALA 1 -12.983 4.662 8.129 5 1HB ALA 1 HB1 ALA 1 -10.928 5.794 8.395 6 2HB ALA 1 HB2 ALA 1 -10.872 5.443 10.122 7 3HB ALA 1 HB3 ALA 1 -12.062 6.582 9.492 8 H VAL 2 HN VAL 2 -12.097 2.972 7.133 9 HA VAL 2 HA VAL 2 -10.666 0.983 8.778 10 HB VAL 2 HB VAL 2 -11.831 0.082 6.213 11 1HG1 VAL 2 HG11 VAL 2 -10.822 -1.636 7.345 12 2HG1 VAL 2 HG12 VAL 2 -12.485 -1.808 7.908 13 3HG1 VAL 2 HG13 VAL 2 -11.286 -1.013 8.928 14 1HG2 VAL 2 HG21 VAL 2 -13.654 1.473 7.090 15 2HG2 VAL 2 HG22 VAL 2 -13.585 0.592 8.617 16 3HG2 VAL 2 HG23 VAL 2 -14.062 -0.243 7.138 17 H CYS 3 HN CYS 3 -9.225 -0.443 7.425 18 HA CYS 3 HA CYS 3 -7.367 1.247 6.024 19 1HB CYS 3 HB2 CYS 3 -6.609 -0.509 7.576 20 2HB CYS 3 HB1 CYS 3 -7.302 -1.735 6.522 21 H VAL 4 HN VAL 4 -7.425 1.659 3.922 22 HA VAL 4 HA VAL 4 -8.886 -0.174 2.155 23 HB VAL 4 HB VAL 4 -7.937 2.587 1.422 24 1HG1 VAL 4 HG11 VAL 4 -9.771 2.438 -0.217 25 2HG1 VAL 4 HG12 VAL 4 -10.118 0.803 0.345 26 3HG1 VAL 4 HG13 VAL 4 -8.576 1.159 -0.432 27 1HG2 VAL 4 HG21 VAL 4 -10.658 1.907 2.522 28 2HG2 VAL 4 HG22 VAL 4 -10.040 3.501 2.092 29 3HG2 VAL 4 HG23 VAL 4 -9.367 2.638 3.475 30 H TYR 5 HN TYR 5 -7.855 -1.352 0.675 31 HA TYR 5 HA TYR 5 -5.024 -1.462 0.622 32 1HB TYR 5 HB2 TYR 5 -6.437 -3.431 0.260 33 2HB TYR 5 HB1 TYR 5 -7.020 -2.721 -1.236 34 HD1 TYR 5 HD1 TYR 5 -5.198 -2.151 -3.019 35 HD2 TYR 5 HD2 TYR 5 -4.617 -4.866 0.204 36 HE1 TYR 5 HE1 TYR 5 -3.343 -3.200 -4.245 37 HE2 TYR 5 HE2 TYR 5 -2.761 -5.922 -1.013 38 HH TYR 5 HH TYR 5 -1.354 -4.535 -3.787 39 H ARG 6 HN ARG 6 -7.412 -0.396 -1.782 40 HA ARG 6 HA ARG 6 -5.534 0.334 -3.745 41 1HB ARG 6 HB2 ARG 6 -8.179 0.012 -3.770 42 2HB ARG 6 HB1 ARG 6 -8.121 1.759 -3.616 43 1HG ARG 6 HG2 ARG 6 -8.028 1.746 -5.847 44 2HG ARG 6 HG1 ARG 6 -6.326 1.346 -5.611 45 1HD ARG 6 HD2 ARG 6 -7.851 -1.053 -5.434 46 2HD ARG 6 HD1 ARG 6 -8.343 -0.186 -6.888 47 HE ARG 6 HE ARG 6 -5.493 -0.372 -6.555 48 1HH1 ARG 6 HH11 ARG 6 -8.339 -1.960 -7.803 49 2HH1 ARG 6 HH12 ARG 6 -7.458 -2.906 -8.955 50 1HH2 ARG 6 HH21 ARG 6 -4.334 -1.616 -8.069 51 2HH2 ARG 6 HH22 ARG 6 -5.184 -2.712 -9.106 52 H THR 7 HN THR 7 -7.027 2.162 -1.119 53 HA THR 7 HA THR 7 -5.981 4.679 -1.981 54 HB THR 7 HB THR 7 -6.798 4.100 0.849 55 HG1 THR 7 HG1 THR 7 -8.963 4.418 0.171 56 1HG2 THR 7 HG21 THR 7 -6.258 6.333 0.686 57 2HG2 THR 7 HG22 THR 7 -7.999 6.341 0.404 58 3HG2 THR 7 HG23 THR 7 -6.885 6.473 -0.957 59 H CYS 8 HN CYS 8 -5.074 2.259 0.415 60 HA CYS 8 HA CYS 8 -2.833 3.714 1.413 61 1HB CYS 8 HB2 CYS 8 -4.077 1.789 2.560 62 2HB CYS 8 HB1 CYS 8 -3.143 0.717 1.522 63 H ASP 9 HN ASP 9 -3.310 1.317 -1.106 64 HA ASP 9 HA ASP 9 -0.594 0.816 -1.667 65 1HB ASP 9 HB2 ASP 9 -2.432 -0.645 -2.437 66 2HB ASP 9 HB1 ASP 9 -2.978 0.630 -3.523 67 H LYS 10 HN LYS 10 -2.962 2.977 -3.224 68 HA LYS 10 HA LYS 10 -1.186 4.100 -5.082 69 1HB LYS 10 HB2 LYS 10 -3.889 4.456 -4.321 70 2HB LYS 10 HB1 LYS 10 -3.129 6.038 -4.329 71 1HG LYS 10 HG2 LYS 10 -4.157 5.494 -6.479 72 2HG LYS 10 HG1 LYS 10 -2.413 5.723 -6.616 73 1HD LYS 10 HD2 LYS 10 -2.478 3.781 -7.750 74 2HD LYS 10 HD1 LYS 10 -2.556 3.052 -6.145 75 1HE LYS 10 HE2 LYS 10 -5.136 3.448 -6.446 76 2HE LYS 10 HE1 LYS 10 -4.716 3.458 -8.159 77 1HZ LYS 10 HZ1 LYS 10 -3.526 1.282 -7.647 78 2HZ LYS 10 HZ2 LYS 10 -5.216 1.250 -7.693 79 3HZ LYS 10 HZ3 LYS 10 -4.411 1.264 -6.205 80 H ASP 11 HN ASP 11 -2.156 5.212 -1.849 81 HA ASP 11 HA ASP 11 -0.749 7.607 -1.791 82 1HB ASP 11 HB2 ASP 11 -2.350 6.297 -0.045 83 2HB ASP 11 HB1 ASP 11 -0.787 6.069 0.719 84 H CYS 12 HN CYS 12 0.288 4.381 -0.727 85 HA CYS 12 HA CYS 12 2.915 5.221 -0.030 86 1HB CYS 12 HB2 CYS 12 1.656 3.135 0.773 87 2HB CYS 12 HB1 CYS 12 2.149 2.400 -0.748 88 H LYS 13 HN LYS 13 1.461 3.889 -2.948 89 HA LYS 13 HA LYS 13 3.761 3.237 -4.372 90 1HB LYS 13 HB2 LYS 13 0.971 3.610 -4.952 91 2HB LYS 13 HB1 LYS 13 1.932 4.350 -6.223 92 1HG LYS 13 HG2 LYS 13 2.442 2.378 -7.093 93 2HG LYS 13 HG1 LYS 13 2.975 1.755 -5.530 94 1HD LYS 13 HD2 LYS 13 0.572 1.358 -4.961 95 2HD LYS 13 HD1 LYS 13 0.164 1.799 -6.621 96 1HE LYS 13 HE2 LYS 13 2.275 -0.231 -6.336 97 2HE LYS 13 HE1 LYS 13 0.675 -0.728 -5.788 98 1HZ LYS 13 HZ1 LYS 13 0.060 0.394 -8.112 99 2HZ LYS 13 HZ2 LYS 13 0.438 -1.246 -7.952 100 3HZ LYS 13 HZ3 LYS 13 1.619 -0.155 -8.475 101 H ARG 14 HN ARG 14 2.014 6.327 -4.218 102 HA ARG 14 HA ARG 14 3.808 7.712 -5.929 103 1HB ARG 14 HB2 ARG 14 2.710 9.757 -5.036 104 2HB ARG 14 HB1 ARG 14 1.572 8.552 -5.622 105 1HG ARG 14 HG2 ARG 14 1.088 7.856 -3.359 106 2HG ARG 14 HG1 ARG 14 2.302 8.973 -2.731 107 1HD ARG 14 HD2 ARG 14 0.281 10.105 -2.436 108 2HD ARG 14 HD1 ARG 14 0.951 10.802 -3.910 109 HE ARG 14 HE ARG 14 -0.622 8.808 -4.834 110 1HH1 ARG 14 HH11 ARG 14 -1.183 11.458 -2.634 111 2HH1 ARG 14 HH12 ARG 14 -2.858 11.608 -3.044 112 1HH2 ARG 14 HH21 ARG 14 -2.825 9.003 -5.375 113 2HH2 ARG 14 HH22 ARG 14 -3.791 10.214 -4.600 114 H ARG 15 HN ARG 15 4.146 6.620 -2.749 115 HA ARG 15 HA ARG 15 6.004 8.728 -1.979 116 1HB ARG 15 HB2 ARG 15 4.212 7.347 -0.506 117 2HB ARG 15 HB1 ARG 15 5.644 6.362 -0.239 118 1HG ARG 15 HG2 ARG 15 6.674 7.947 0.997 119 2HG ARG 15 HG1 ARG 15 5.982 9.279 0.068 120 1HD ARG 15 HD2 ARG 15 4.831 9.542 2.020 121 2HD ARG 15 HD1 ARG 15 3.747 8.427 1.189 122 HE ARG 15 HE ARG 15 5.732 7.123 2.807 123 1HH1 ARG 15 HH11 ARG 15 2.563 8.584 2.789 124 2HH1 ARG 15 HH12 ARG 15 2.013 7.706 4.176 125 1HH2 ARG 15 HH21 ARG 15 5.010 5.967 4.631 126 2HH2 ARG 15 HH22 ARG 15 3.402 6.220 5.223 127 H GLY 16 HN GLY 16 6.475 6.590 -4.120 128 1HA GLY 16 HA2 GLY 16 8.441 5.698 -4.936 129 2HA GLY 16 HA1 GLY 16 9.217 6.128 -3.424 130 H TYR 17 HN TYR 17 6.605 3.922 -4.448 131 HA TYR 17 HA TYR 17 8.071 1.713 -3.206 132 1HB TYR 17 HB2 TYR 17 5.194 2.444 -2.639 133 2HB TYR 17 HB1 TYR 17 5.893 0.877 -2.249 134 HD1 TYR 17 HD1 TYR 17 6.524 4.515 -1.686 135 HD2 TYR 17 HD2 TYR 17 6.786 0.562 -0.137 136 HE1 TYR 17 HE1 TYR 17 7.321 5.415 0.459 137 HE2 TYR 17 HE2 TYR 17 7.582 1.451 2.013 138 HH TYR 17 HH TYR 17 8.900 4.082 2.542 139 H ARG 18 HN ARG 18 7.347 -0.405 -3.934 140 HA ARG 18 HA ARG 18 6.454 -0.286 -6.709 141 1HB ARG 18 HB2 ARG 18 8.397 -1.786 -5.380 142 2HB ARG 18 HB1 ARG 18 7.122 -2.939 -5.743 143 1HG ARG 18 HG2 ARG 18 7.853 -1.160 -7.960 144 2HG ARG 18 HG1 ARG 18 9.118 -2.274 -7.437 145 1HD ARG 18 HD2 ARG 18 7.936 -3.440 -9.094 146 2HD ARG 18 HD1 ARG 18 7.341 -4.094 -7.569 147 HE ARG 18 HE ARG 18 5.600 -2.083 -8.167 148 1HH1 ARG 18 HH11 ARG 18 6.720 -4.932 -9.842 149 2HH1 ARG 18 HH12 ARG 18 5.242 -5.151 -10.718 150 1HH2 ARG 18 HH21 ARG 18 3.656 -2.368 -9.319 151 2HH2 ARG 18 HH22 ARG 18 3.503 -3.695 -10.421 152 H SER 19 HN SER 19 5.744 -2.237 -3.802 153 HA SER 19 HA SER 19 2.939 -2.318 -4.623 154 1HB SER 19 HB2 SER 19 4.025 -4.369 -5.531 155 2HB SER 19 HB1 SER 19 4.473 -4.821 -3.886 156 HG SER 19 HG SER 19 2.522 -5.525 -3.587 157 H GLY 20 HN GLY 20 1.803 -3.842 -2.782 158 1HA GLY 20 HA2 GLY 20 2.720 -3.837 -0.171 159 2HA GLY 20 HA1 GLY 20 1.973 -2.266 -0.417 160 H LYS 21 HN LYS 21 1.051 -4.134 1.451 161 HA LYS 21 HA LYS 21 -1.672 -4.454 0.506 162 1HB LYS 21 HB2 LYS 21 -1.565 -6.849 1.628 163 2HB LYS 21 HB1 LYS 21 -1.177 -6.612 -0.071 164 1HG LYS 21 HG2 LYS 21 1.185 -6.584 0.442 165 2HG LYS 21 HG1 LYS 21 0.833 -6.735 2.164 166 1HD LYS 21 HD2 LYS 21 0.296 -8.944 2.000 167 2HD LYS 21 HD1 LYS 21 -0.323 -8.782 0.356 168 1HE LYS 21 HE2 LYS 21 1.671 -9.242 -0.570 169 2HE LYS 21 HE1 LYS 21 2.553 -8.285 0.619 170 1HZ LYS 21 HZ1 LYS 21 1.892 -11.118 0.638 171 2HZ LYS 21 HZ2 LYS 21 1.803 -10.325 2.128 172 3HZ LYS 21 HZ3 LYS 21 3.250 -10.318 1.253 173 H CYS 22 HN CYS 22 -3.199 -4.860 2.237 174 HA CYS 22 HA CYS 22 -2.166 -3.927 4.829 175 1HB CYS 22 HB2 CYS 22 -3.812 -2.437 3.716 176 2HB CYS 22 HB1 CYS 22 -4.991 -3.744 3.764 177 H ILE 23 HN ILE 23 -1.778 -5.672 6.044 178 HA ILE 23 HA ILE 23 -3.895 -7.700 6.249 179 HB ILE 23 HB ILE 23 -1.608 -8.383 5.299 180 1HG1 ILE 23 HG12 ILE 23 -3.416 -9.917 6.135 181 2HG1 ILE 23 HG11 ILE 23 -1.787 -10.573 6.247 182 1HG2 ILE 23 HG21 ILE 23 -0.339 -7.150 7.086 183 2HG2 ILE 23 HG22 ILE 23 0.178 -8.810 6.791 184 3HG2 ILE 23 HG23 ILE 23 -0.815 -8.433 8.199 185 1HD1 ILE 23 HD11 ILE 23 -2.197 -9.333 8.690 186 2HD1 ILE 23 HD12 ILE 23 -2.258 -11.063 8.353 187 3HD1 ILE 23 HD13 ILE 23 -3.738 -10.105 8.316 188 H ASN 24 HN ASN 24 -4.612 -8.301 8.265 189 HA ASN 24 HA ASN 24 -5.151 -7.983 10.463 190 1HB ASN 24 HB2 ASN 24 -2.150 -7.899 10.516 191 2HB ASN 24 HB1 ASN 24 -3.107 -7.799 11.988 192 1HD2 ASN 24 HD21 ASN 24 -1.231 -9.850 10.765 193 2HD2 ASN 24 HD22 ASN 24 -2.105 -11.335 10.890 194 H ASN 25 HN ASN 25 -5.734 -5.787 9.197 195 HA ASN 25 HA ASN 25 -5.981 -3.524 9.260 196 1HB ASN 25 HB2 ASN 25 -6.418 -2.596 11.425 197 2HB ASN 25 HB1 ASN 25 -6.990 -4.259 11.438 198 1HD2 ASN 25 HD21 ASN 25 -4.571 -2.047 12.597 199 2HD2 ASN 25 HD22 ASN 25 -3.962 -3.059 13.858 200 H ALA 26 HN ALA 26 -3.257 -4.547 8.845 201 HA ALA 26 HA ALA 26 -1.807 -2.106 9.612 202 1HB ALA 26 HB1 ALA 26 -1.181 -4.129 11.010 203 2HB ALA 26 HB2 ALA 26 0.143 -3.295 10.196 204 3HB ALA 26 HB3 ALA 26 -0.486 -4.806 9.537 205 H CYS 27 HN CYS 27 -1.180 -1.052 7.854 206 HA CYS 27 HA CYS 27 -1.059 -2.422 5.298 207 1HB CYS 27 HB2 CYS 27 -2.058 -0.045 5.859 208 2HB CYS 27 HB1 CYS 27 -0.393 0.473 5.622 209 H LYS 28 HN LYS 28 0.745 -2.809 4.121 210 HA LYS 28 HA LYS 28 3.295 -1.680 4.952 211 1HB LYS 28 HB2 LYS 28 2.549 -4.171 5.899 212 2HB LYS 28 HB1 LYS 28 3.540 -4.555 4.498 213 1HG LYS 28 HG2 LYS 28 5.182 -2.817 5.570 214 2HG LYS 28 HG1 LYS 28 4.291 -3.209 7.042 215 1HD LYS 28 HD2 LYS 28 5.682 -5.187 5.236 216 2HD LYS 28 HD1 LYS 28 6.275 -4.619 6.798 217 1HE LYS 28 HE2 LYS 28 4.375 -5.607 7.919 218 2HE LYS 28 HE1 LYS 28 3.673 -6.082 6.373 219 1HZ LYS 28 HZ1 LYS 28 4.722 -8.003 6.702 220 2HZ LYS 28 HZ2 LYS 28 5.699 -7.380 7.933 221 3HZ LYS 28 HZ3 LYS 28 6.154 -7.188 6.315 222 H CYS 29 HN CYS 29 4.400 -1.087 3.213 223 HA CYS 29 HA CYS 29 3.865 -2.475 0.671 224 1HB CYS 29 HB2 CYS 29 4.866 0.015 -0.030 225 2HB CYS 29 HB1 CYS 29 3.183 -0.486 -0.107 226 H TYR 30 HN TYR 30 5.672 -2.367 -0.905 227 HA TYR 30 HA TYR 30 8.303 -2.142 0.370 228 1HB TYR 30 HB2 TYR 30 7.858 -4.422 -1.498 229 2HB TYR 30 HB1 TYR 30 8.975 -4.283 -0.144 230 HD1 TYR 30 HD1 TYR 30 8.199 -4.701 2.153 231 HD2 TYR 30 HD2 TYR 30 5.614 -5.224 -1.186 232 HE1 TYR 30 HE1 TYR 30 6.644 -5.981 3.563 233 HE2 TYR 30 HE2 TYR 30 4.053 -6.505 0.215 234 HH TYR 30 HH TYR 30 4.419 -7.965 2.516 235 HA PRO 31 HA PRO 31 9.266 -0.132 -3.463 236 1HB PRO 31 HB2 PRO 31 11.924 0.076 -3.211 237 2HB PRO 31 HB1 PRO 31 10.827 0.978 -2.159 238 1HG PRO 31 HG2 PRO 31 12.332 -1.548 -1.606 239 2HG PRO 31 HG1 PRO 31 12.084 -0.141 -0.557 240 1HD PRO 31 HD2 PRO 31 10.624 -2.465 -0.395 241 2HD PRO 31 HD1 PRO 31 10.037 -0.881 0.146 242 H TYR 32 HN TYR 32 11.384 -0.392 -5.069 243 HA TYR 32 HA TYR 32 10.886 -2.829 -6.441 244 1HB TYR 32 HB2 TYR 32 12.146 -0.344 -7.005 245 2HB TYR 32 HB1 TYR 32 13.307 -1.616 -7.368 246 HD1 TYR 32 HD1 TYR 32 12.380 -3.606 -8.804 247 HD2 TYR 32 HD2 TYR 32 10.584 0.246 -8.609 248 HE1 TYR 32 HE1 TYR 32 11.250 -4.030 -10.947 249 HE2 TYR 32 HE2 TYR 32 9.448 -0.168 -10.750 250 HH TYR 32 HH TYR 32 9.648 -1.557 -12.703 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 -13.981 5.786 9.299 2 2H ALA 1 HT2 ALA 1 -12.270 5.897 9.384 3 3H ALA 1 HT3 ALA 1 -13.103 4.721 10.316 4 HA ALA 1 HA ALA 1 -13.935 3.819 8.165 5 1HB ALA 1 HB1 ALA 1 -13.372 5.734 6.780 6 2HB ALA 1 HB2 ALA 1 -12.519 4.296 6.219 7 3HB ALA 1 HB3 ALA 1 -11.661 5.522 7.152 8 H VAL 2 HN VAL 2 -12.235 2.365 6.840 9 HA VAL 2 HA VAL 2 -10.303 1.347 8.823 10 HB VAL 2 HB VAL 2 -11.313 -0.581 6.834 11 1HG1 VAL 2 HG11 VAL 2 -9.883 -0.652 9.201 12 2HG1 VAL 2 HG12 VAL 2 -10.541 -2.037 8.330 13 3HG1 VAL 2 HG13 VAL 2 -11.464 -1.298 9.638 14 1HG2 VAL 2 HG21 VAL 2 -13.357 -1.045 8.220 15 2HG2 VAL 2 HG22 VAL 2 -13.424 0.436 7.265 16 3HG2 VAL 2 HG23 VAL 2 -13.101 0.517 8.997 17 H CYS 3 HN CYS 3 -8.611 -0.068 7.798 18 HA CYS 3 HA CYS 3 -7.078 1.408 6.002 19 1HB CYS 3 HB2 CYS 3 -6.028 -0.196 7.448 20 2HB CYS 3 HB1 CYS 3 -6.962 -1.516 6.755 21 H VAL 4 HN VAL 4 -7.155 1.669 3.873 22 HA VAL 4 HA VAL 4 -8.815 -0.178 2.296 23 HB VAL 4 HB VAL 4 -7.900 2.564 1.439 24 1HG1 VAL 4 HG11 VAL 4 -8.599 1.049 -0.347 25 2HG1 VAL 4 HG12 VAL 4 -9.735 2.384 -0.158 26 3HG1 VAL 4 HG13 VAL 4 -10.137 0.787 0.474 27 1HG2 VAL 4 HG21 VAL 4 -10.595 1.902 2.604 28 2HG2 VAL 4 HG22 VAL 4 -9.948 3.491 2.196 29 3HG2 VAL 4 HG23 VAL 4 -9.277 2.588 3.554 30 H TYR 5 HN TYR 5 -7.860 -1.500 0.907 31 HA TYR 5 HA TYR 5 -5.089 -1.707 0.632 32 1HB TYR 5 HB2 TYR 5 -6.906 -3.468 0.208 33 2HB TYR 5 HB1 TYR 5 -7.018 -2.761 -1.396 34 HD1 TYR 5 HD1 TYR 5 -4.956 -4.749 0.870 35 HD2 TYR 5 HD2 TYR 5 -5.205 -3.007 -3.003 36 HE1 TYR 5 HE1 TYR 5 -3.075 -6.147 0.126 37 HE2 TYR 5 HE2 TYR 5 -3.326 -4.400 -3.758 38 HH TYR 5 HH TYR 5 -2.340 -7.038 -2.426 39 H ARG 6 HN ARG 6 -7.496 -0.288 -1.547 40 HA ARG 6 HA ARG 6 -5.608 0.358 -3.567 41 1HB ARG 6 HB2 ARG 6 -8.268 0.124 -3.572 42 2HB ARG 6 HB1 ARG 6 -8.142 1.866 -3.395 43 1HG ARG 6 HG2 ARG 6 -7.100 2.132 -5.454 44 2HG ARG 6 HG1 ARG 6 -6.620 0.436 -5.534 45 1HD ARG 6 HD2 ARG 6 -8.390 0.212 -6.892 46 2HD ARG 6 HD1 ARG 6 -9.332 0.232 -5.402 47 HE ARG 6 HE ARG 6 -9.123 2.852 -6.024 48 1HH1 ARG 6 HH11 ARG 6 -10.140 0.052 -7.844 49 2HH1 ARG 6 HH12 ARG 6 -11.246 0.942 -8.834 50 1HH2 ARG 6 HH21 ARG 6 -10.577 4.024 -7.327 51 2HH2 ARG 6 HH22 ARG 6 -11.494 3.197 -8.541 52 H THR 7 HN THR 7 -7.081 2.195 -0.922 53 HA THR 7 HA THR 7 -5.952 4.690 -1.706 54 HB THR 7 HB THR 7 -6.707 4.075 1.128 55 HG1 THR 7 HG1 THR 7 -8.876 4.314 0.570 56 1HG2 THR 7 HG21 THR 7 -7.827 6.305 0.904 57 2HG2 THR 7 HG22 THR 7 -7.035 6.459 -0.665 58 3HG2 THR 7 HG23 THR 7 -6.067 6.322 0.803 59 H CYS 8 HN CYS 8 -5.021 2.099 0.457 60 HA CYS 8 HA CYS 8 -2.761 3.444 1.567 61 1HB CYS 8 HB2 CYS 8 -4.020 1.422 2.530 62 2HB CYS 8 HB1 CYS 8 -3.090 0.452 1.394 63 H ASP 9 HN ASP 9 -3.220 1.104 -1.042 64 HA ASP 9 HA ASP 9 -0.513 0.762 -1.706 65 1HB ASP 9 HB2 ASP 9 -2.445 -0.679 -2.461 66 2HB ASP 9 HB1 ASP 9 -2.841 0.583 -3.623 67 H LYS 10 HN LYS 10 -2.955 3.052 -2.885 68 HA LYS 10 HA LYS 10 -1.278 4.210 -4.847 69 1HB LYS 10 HB2 LYS 10 -3.959 4.523 -3.961 70 2HB LYS 10 HB1 LYS 10 -3.208 6.109 -4.019 71 1HG LYS 10 HG2 LYS 10 -3.040 6.100 -6.270 72 2HG LYS 10 HG1 LYS 10 -2.758 4.360 -6.351 73 1HD LYS 10 HD2 LYS 10 -4.859 4.477 -7.259 74 2HD LYS 10 HD1 LYS 10 -5.265 4.252 -5.556 75 1HE LYS 10 HE2 LYS 10 -4.917 7.025 -6.574 76 2HE LYS 10 HE1 LYS 10 -6.385 6.153 -7.014 77 1HZ LYS 10 HZ1 LYS 10 -5.632 6.064 -4.206 78 2HZ LYS 10 HZ2 LYS 10 -7.160 6.220 -4.914 79 3HZ LYS 10 HZ3 LYS 10 -6.147 7.568 -4.787 80 H ASP 11 HN ASP 11 -2.185 5.264 -1.574 81 HA ASP 11 HA ASP 11 -0.766 7.654 -1.526 82 1HB ASP 11 HB2 ASP 11 -2.323 6.285 0.241 83 2HB ASP 11 HB1 ASP 11 -0.740 6.121 0.977 84 H CYS 12 HN CYS 12 0.263 4.377 -0.701 85 HA CYS 12 HA CYS 12 2.907 5.171 0.043 86 1HB CYS 12 HB2 CYS 12 1.635 3.093 0.821 87 2HB CYS 12 HB1 CYS 12 2.083 2.380 -0.726 88 H LYS 13 HN LYS 13 1.572 3.509 -2.839 89 HA LYS 13 HA LYS 13 4.017 3.196 -4.159 90 1HB LYS 13 HB2 LYS 13 2.795 2.634 -6.077 91 2HB LYS 13 HB1 LYS 13 1.748 2.170 -4.745 92 1HG LYS 13 HG2 LYS 13 0.625 4.434 -5.059 93 2HG LYS 13 HG1 LYS 13 1.492 4.517 -6.592 94 1HD LYS 13 HD2 LYS 13 -0.257 2.193 -5.819 95 2HD LYS 13 HD1 LYS 13 -0.859 3.598 -6.702 96 1HE LYS 13 HE2 LYS 13 1.579 2.295 -7.759 97 2HE LYS 13 HE1 LYS 13 0.069 1.396 -7.910 98 1HZ LYS 13 HZ1 LYS 13 0.890 3.190 -9.686 99 2HZ LYS 13 HZ2 LYS 13 -0.034 4.193 -8.687 100 3HZ LYS 13 HZ3 LYS 13 -0.743 2.840 -9.413 101 H ARG 14 HN ARG 14 1.979 5.987 -3.802 102 HA ARG 14 HA ARG 14 3.133 7.473 -5.953 103 1HB ARG 14 HB2 ARG 14 1.143 7.934 -3.852 104 2HB ARG 14 HB1 ARG 14 2.100 9.358 -4.234 105 1HG ARG 14 HG2 ARG 14 1.485 8.513 -6.718 106 2HG ARG 14 HG1 ARG 14 0.066 7.958 -5.829 107 1HD ARG 14 HD2 ARG 14 -0.731 10.030 -5.651 108 2HD ARG 14 HD1 ARG 14 0.812 10.642 -5.056 109 HE ARG 14 HE ARG 14 1.127 10.288 -7.773 110 1HH1 ARG 14 HH11 ARG 14 -0.934 12.173 -5.680 111 2HH1 ARG 14 HH12 ARG 14 -1.123 13.462 -6.821 112 1HH2 ARG 14 HH21 ARG 14 0.880 11.983 -9.274 113 2HH2 ARG 14 HH22 ARG 14 -0.094 13.354 -8.861 114 H ARG 15 HN ARG 15 4.042 6.815 -2.691 115 HA ARG 15 HA ARG 15 5.756 9.101 -2.392 116 1HB ARG 15 HB2 ARG 15 4.637 7.366 -0.628 117 2HB ARG 15 HB1 ARG 15 6.268 6.716 -0.725 118 1HG ARG 15 HG2 ARG 15 7.133 8.403 0.451 119 2HG ARG 15 HG1 ARG 15 6.192 9.616 -0.419 120 1HD ARG 15 HD2 ARG 15 4.210 8.583 0.979 121 2HD ARG 15 HD1 ARG 15 5.522 8.094 2.052 122 HE ARG 15 HE ARG 15 5.702 10.849 1.349 123 1HH1 ARG 15 HH11 ARG 15 4.033 8.606 3.438 124 2HH1 ARG 15 HH12 ARG 15 3.688 9.795 4.648 125 1HH2 ARG 15 HH21 ARG 15 5.248 12.415 2.940 126 2HH2 ARG 15 HH22 ARG 15 4.377 11.958 4.366 127 H GLY 16 HN GLY 16 6.089 5.801 -3.499 128 1HA GLY 16 HA2 GLY 16 8.016 5.798 -5.213 129 2HA GLY 16 HA1 GLY 16 8.968 6.156 -3.786 130 H TYR 17 HN TYR 17 6.230 3.937 -4.173 131 HA TYR 17 HA TYR 17 8.034 1.750 -3.361 132 1HB TYR 17 HB2 TYR 17 5.128 2.215 -2.686 133 2HB TYR 17 HB1 TYR 17 5.942 0.676 -2.417 134 HD1 TYR 17 HD1 TYR 17 6.369 4.308 -1.643 135 HD2 TYR 17 HD2 TYR 17 6.899 0.291 -0.349 136 HE1 TYR 17 HE1 TYR 17 7.176 5.122 0.533 137 HE2 TYR 17 HE2 TYR 17 7.706 1.093 1.831 138 HH TYR 17 HH TYR 17 7.324 3.349 3.220 139 H ARG 18 HN ARG 18 7.332 -0.427 -4.078 140 HA ARG 18 HA ARG 18 6.521 -0.305 -6.878 141 1HB ARG 18 HB2 ARG 18 8.155 -2.110 -5.227 142 2HB ARG 18 HB1 ARG 18 7.141 -2.925 -6.410 143 1HG ARG 18 HG2 ARG 18 8.911 -0.632 -7.179 144 2HG ARG 18 HG1 ARG 18 9.513 -2.289 -7.100 145 1HD ARG 18 HD2 ARG 18 7.250 -2.640 -8.542 146 2HD ARG 18 HD1 ARG 18 7.711 -1.015 -9.048 147 HE ARG 18 HE ARG 18 9.887 -2.879 -9.130 148 1HH1 ARG 18 HH11 ARG 18 7.127 -1.661 -10.882 149 2HH1 ARG 18 HH12 ARG 18 7.759 -2.099 -12.433 150 1HH2 ARG 18 HH21 ARG 18 10.723 -3.456 -11.169 151 2HH2 ARG 18 HH22 ARG 18 9.801 -3.119 -12.596 152 H SER 19 HN SER 19 5.725 -2.189 -3.958 153 HA SER 19 HA SER 19 2.981 -2.436 -4.961 154 1HB SER 19 HB2 SER 19 4.573 -4.760 -3.852 155 2HB SER 19 HB1 SER 19 2.892 -4.807 -4.381 156 HG SER 19 HG SER 19 3.730 -4.136 -6.486 157 H GLY 20 HN GLY 20 1.482 -3.266 -3.227 158 1HA GLY 20 HA2 GLY 20 2.406 -2.651 -0.515 159 2HA GLY 20 HA1 GLY 20 1.058 -1.729 -1.156 160 H LYS 21 HN LYS 21 0.907 -3.296 1.167 161 HA LYS 21 HA LYS 21 -1.292 -5.023 0.426 162 1HB LYS 21 HB2 LYS 21 1.312 -6.063 1.429 163 2HB LYS 21 HB1 LYS 21 -0.157 -6.806 2.047 164 1HG LYS 21 HG2 LYS 21 0.017 -8.136 0.262 165 2HG LYS 21 HG1 LYS 21 -0.662 -6.768 -0.622 166 1HD LYS 21 HD2 LYS 21 1.754 -5.988 -0.917 167 2HD LYS 21 HD1 LYS 21 2.214 -7.608 -0.387 168 1HE LYS 21 HE2 LYS 21 1.549 -8.570 -2.318 169 2HE LYS 21 HE1 LYS 21 0.163 -7.495 -2.496 170 1HZ LYS 21 HZ1 LYS 21 2.771 -6.265 -2.836 171 2HZ LYS 21 HZ2 LYS 21 1.343 -6.035 -3.711 172 3HZ LYS 21 HZ3 LYS 21 2.326 -7.373 -4.035 173 H CYS 22 HN CYS 22 -2.873 -4.580 1.798 174 HA CYS 22 HA CYS 22 -2.252 -3.372 4.372 175 1HB CYS 22 HB2 CYS 22 -3.935 -2.207 3.160 176 2HB CYS 22 HB1 CYS 22 -4.809 -3.692 2.803 177 H ILE 23 HN ILE 23 -1.817 -4.774 5.958 178 HA ILE 23 HA ILE 23 -2.961 -7.406 6.038 179 HB ILE 23 HB ILE 23 -1.483 -6.068 8.297 180 1HG1 ILE 23 HG12 ILE 23 -0.216 -7.706 6.100 181 2HG1 ILE 23 HG11 ILE 23 -0.265 -5.947 6.061 182 1HG2 ILE 23 HG21 ILE 23 -0.735 -8.576 8.477 183 2HG2 ILE 23 HG22 ILE 23 -2.225 -8.859 7.577 184 3HG2 ILE 23 HG23 ILE 23 -2.280 -8.042 9.139 185 1HD1 ILE 23 HD11 ILE 23 1.866 -6.788 6.894 186 2HD1 ILE 23 HD12 ILE 23 1.027 -7.610 8.209 187 3HD1 ILE 23 HD13 ILE 23 1.014 -5.848 8.118 188 H ASN 24 HN ASN 24 -4.257 -8.244 7.755 189 HA ASN 24 HA ASN 24 -6.601 -6.982 8.233 190 1HB ASN 24 HB2 ASN 24 -5.190 -9.037 9.915 191 2HB ASN 24 HB1 ASN 24 -6.841 -8.515 10.240 192 1HD2 ASN 24 HD21 ASN 24 -8.049 -8.369 7.917 193 2HD2 ASN 24 HD22 ASN 24 -8.017 -9.875 7.071 194 H ASN 25 HN ASN 25 -3.650 -6.307 9.840 195 HA ASN 25 HA ASN 25 -4.975 -4.202 11.337 196 1HB ASN 25 HB2 ASN 25 -4.393 -6.622 12.595 197 2HB ASN 25 HB1 ASN 25 -3.094 -5.543 13.093 198 1HD2 ASN 25 HD21 ASN 25 -5.162 -6.647 14.729 199 2HD2 ASN 25 HD22 ASN 25 -6.064 -5.322 15.373 200 H ALA 26 HN ALA 26 -2.991 -4.369 9.117 201 HA ALA 26 HA ALA 26 -1.333 -2.248 9.902 202 1HB ALA 26 HB1 ALA 26 0.103 -3.424 11.187 203 2HB ALA 26 HB2 ALA 26 0.837 -3.790 9.626 204 3HB ALA 26 HB3 ALA 26 -0.257 -4.950 10.380 205 H CYS 27 HN CYS 27 -0.925 -1.194 8.072 206 HA CYS 27 HA CYS 27 -0.928 -2.675 5.553 207 1HB CYS 27 HB2 CYS 27 -2.270 -0.477 6.072 208 2HB CYS 27 HB1 CYS 27 -0.738 0.310 5.708 209 H LYS 28 HN LYS 28 0.884 -3.117 4.475 210 HA LYS 28 HA LYS 28 3.259 -1.460 4.945 211 1HB LYS 28 HB2 LYS 28 3.014 -3.886 6.145 212 2HB LYS 28 HB1 LYS 28 3.778 -4.349 4.631 213 1HG LYS 28 HG2 LYS 28 5.693 -3.893 5.674 214 2HG LYS 28 HG1 LYS 28 5.283 -2.202 5.385 215 1HD LYS 28 HD2 LYS 28 4.878 -1.810 7.560 216 2HD LYS 28 HD1 LYS 28 4.027 -3.341 7.772 217 1HE LYS 28 HE2 LYS 28 5.884 -4.430 8.460 218 2HE LYS 28 HE1 LYS 28 6.939 -3.537 7.366 219 1HZ LYS 28 HZ1 LYS 28 6.279 -1.610 9.058 220 2HZ LYS 28 HZ2 LYS 28 7.617 -2.617 9.292 221 3HZ LYS 28 HZ3 LYS 28 6.168 -2.935 10.104 222 H CYS 29 HN CYS 29 4.593 -1.193 3.197 223 HA CYS 29 HA CYS 29 3.798 -2.544 0.709 224 1HB CYS 29 HB2 CYS 29 4.916 -0.062 0.000 225 2HB CYS 29 HB1 CYS 29 3.242 -0.569 -0.170 226 H TYR 30 HN TYR 30 5.517 -2.486 -0.980 227 HA TYR 30 HA TYR 30 8.203 -2.564 0.224 228 1HB TYR 30 HB2 TYR 30 7.476 -4.455 -1.979 229 2HB TYR 30 HB1 TYR 30 8.712 -4.614 -0.736 230 HD1 TYR 30 HD1 TYR 30 5.015 -4.578 -1.198 231 HD2 TYR 30 HD2 TYR 30 8.299 -5.930 1.145 232 HE1 TYR 30 HE1 TYR 30 3.487 -5.976 0.127 233 HE2 TYR 30 HE2 TYR 30 6.780 -7.333 2.475 234 HH TYR 30 HH TYR 30 4.300 -7.322 3.057 235 HA PRO 31 HA PRO 31 9.068 0.084 -3.260 236 1HB PRO 31 HB2 PRO 31 11.669 0.535 -2.749 237 2HB PRO 31 HB1 PRO 31 10.385 1.244 -1.770 238 1HG PRO 31 HG2 PRO 31 12.145 -1.084 -1.181 239 2HG PRO 31 HG1 PRO 31 11.536 0.169 -0.088 240 1HD PRO 31 HD2 PRO 31 10.477 -2.381 -0.337 241 2HD PRO 31 HD1 PRO 31 9.618 -0.981 0.332 242 H TYR 32 HN TYR 32 11.508 -2.373 -2.465 243 HA TYR 32 HA TYR 32 12.985 -3.506 -3.792 244 1HB TYR 32 HB2 TYR 32 11.730 -5.308 -4.108 245 2HB TYR 32 HB1 TYR 32 10.280 -4.318 -4.066 246 HD1 TYR 32 HD1 TYR 32 8.878 -4.387 -5.901 247 HD2 TYR 32 HD2 TYR 32 13.000 -5.285 -6.447 248 HE1 TYR 32 HE1 TYR 32 8.441 -4.930 -8.259 249 HE2 TYR 32 HE2 TYR 32 12.575 -5.830 -8.807 250 HH TYR 32 HH TYR 32 9.629 -5.076 -10.366 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 -12.556 5.527 9.696 2 2H ALA 1 HT2 ALA 1 -13.039 4.200 10.670 3 3H ALA 1 HT3 ALA 1 -14.222 5.209 9.943 4 HA ALA 1 HA ALA 1 -14.236 3.404 8.608 5 1HB ALA 1 HB1 ALA 1 -13.927 5.490 7.353 6 2HB ALA 1 HB2 ALA 1 -13.220 4.107 6.519 7 3HB ALA 1 HB3 ALA 1 -12.182 5.241 7.383 8 H VAL 2 HN VAL 2 -12.929 1.906 7.145 9 HA VAL 2 HA VAL 2 -10.760 0.777 8.755 10 HB VAL 2 HB VAL 2 -11.705 -0.665 6.346 11 1HG1 VAL 2 HG11 VAL 2 -10.616 -1.256 9.026 12 2HG1 VAL 2 HG12 VAL 2 -10.279 -2.011 7.468 13 3HG1 VAL 2 HG13 VAL 2 -11.742 -2.437 8.356 14 1HG2 VAL 2 HG21 VAL 2 -13.871 -0.216 6.917 15 2HG2 VAL 2 HG22 VAL 2 -13.484 0.057 8.615 16 3HG2 VAL 2 HG23 VAL 2 -13.574 -1.587 7.985 17 H CYS 3 HN CYS 3 -9.021 -0.347 7.458 18 HA CYS 3 HA CYS 3 -7.653 1.624 5.916 19 1HB CYS 3 HB2 CYS 3 -6.445 0.102 7.399 20 2HB CYS 3 HB1 CYS 3 -6.978 -1.277 6.445 21 H VAL 4 HN VAL 4 -7.658 1.932 3.785 22 HA VAL 4 HA VAL 4 -9.051 -0.011 2.097 23 HB VAL 4 HB VAL 4 -8.091 2.706 1.225 24 1HG1 VAL 4 HG11 VAL 4 -9.971 2.479 -0.373 25 2HG1 VAL 4 HG12 VAL 4 -10.262 0.855 0.249 26 3HG1 VAL 4 HG13 VAL 4 -8.743 1.228 -0.564 27 1HG2 VAL 4 HG21 VAL 4 -10.723 2.028 2.535 28 2HG2 VAL 4 HG22 VAL 4 -10.328 3.568 1.770 29 3HG2 VAL 4 HG23 VAL 4 -9.452 3.048 3.209 30 H TYR 5 HN TYR 5 -7.960 -1.368 0.860 31 HA TYR 5 HA TYR 5 -5.163 -1.473 0.774 32 1HB TYR 5 HB2 TYR 5 -6.170 -3.524 0.441 33 2HB TYR 5 HB1 TYR 5 -7.361 -2.869 -0.668 34 HD1 TYR 5 HD1 TYR 5 -7.181 -3.965 -2.695 35 HD2 TYR 5 HD2 TYR 5 -3.626 -2.799 -0.671 36 HE1 TYR 5 HE1 TYR 5 -5.845 -4.756 -4.601 37 HE2 TYR 5 HE2 TYR 5 -2.279 -3.585 -2.573 38 HH TYR 5 HH TYR 5 -2.580 -5.297 -4.461 39 H ARG 6 HN ARG 6 -7.479 -0.494 -1.746 40 HA ARG 6 HA ARG 6 -5.541 0.144 -3.679 41 1HB ARG 6 HB2 ARG 6 -8.186 -0.152 -3.764 42 2HB ARG 6 HB1 ARG 6 -8.115 1.599 -3.678 43 1HG ARG 6 HG2 ARG 6 -6.510 1.497 -5.633 44 2HG ARG 6 HG1 ARG 6 -6.976 -0.197 -5.791 45 1HD ARG 6 HD2 ARG 6 -9.280 1.548 -5.541 46 2HD ARG 6 HD1 ARG 6 -8.263 1.990 -6.911 47 HE ARG 6 HE ARG 6 -8.642 -0.785 -6.937 48 1HH1 ARG 6 HH11 ARG 6 -10.467 2.153 -7.405 49 2HH1 ARG 6 HH12 ARG 6 -11.598 1.425 -8.495 50 1HH2 ARG 6 HH21 ARG 6 -10.129 -1.744 -8.371 51 2HH2 ARG 6 HH22 ARG 6 -11.407 -0.788 -9.043 52 H THR 7 HN THR 7 -7.074 2.092 -1.166 53 HA THR 7 HA THR 7 -5.980 4.562 -2.106 54 HB THR 7 HB THR 7 -6.850 4.149 0.729 55 HG1 THR 7 HG1 THR 7 -8.647 4.407 -1.445 56 1HG2 THR 7 HG21 THR 7 -7.937 6.321 0.392 57 2HG2 THR 7 HG22 THR 7 -7.305 6.364 -1.254 58 3HG2 THR 7 HG23 THR 7 -6.196 6.385 0.117 59 H CYS 8 HN CYS 8 -5.162 2.237 0.414 60 HA CYS 8 HA CYS 8 -2.929 3.724 1.392 61 1HB CYS 8 HB2 CYS 8 -4.291 1.864 2.574 62 2HB CYS 8 HB1 CYS 8 -3.245 0.752 1.701 63 H ASP 9 HN ASP 9 -3.416 1.257 -1.037 64 HA ASP 9 HA ASP 9 -0.690 0.630 -1.465 65 1HB ASP 9 HB2 ASP 9 -2.517 -0.847 -2.203 66 2HB ASP 9 HB1 ASP 9 -3.037 0.375 -3.359 67 H LYS 10 HN LYS 10 -2.958 2.767 -3.196 68 HA LYS 10 HA LYS 10 -1.072 3.721 -5.053 69 1HB LYS 10 HB2 LYS 10 -3.811 4.165 -4.456 70 2HB LYS 10 HB1 LYS 10 -3.021 5.728 -4.575 71 1HG LYS 10 HG2 LYS 10 -2.124 5.056 -6.782 72 2HG LYS 10 HG1 LYS 10 -3.056 3.562 -6.662 73 1HD LYS 10 HD2 LYS 10 -5.114 4.962 -6.416 74 2HD LYS 10 HD1 LYS 10 -4.122 6.381 -6.759 75 1HE LYS 10 HE2 LYS 10 -3.875 4.161 -8.677 76 2HE LYS 10 HE1 LYS 10 -5.446 4.960 -8.640 77 1HZ LYS 10 HZ1 LYS 10 -3.063 6.652 -8.724 78 2HZ LYS 10 HZ2 LYS 10 -4.585 6.895 -9.420 79 3HZ LYS 10 HZ3 LYS 10 -3.487 5.829 -10.141 80 H ASP 11 HN ASP 11 -2.312 5.226 -2.063 81 HA ASP 11 HA ASP 11 -0.740 7.520 -2.129 82 1HB ASP 11 HB2 ASP 11 -2.625 6.559 -0.444 83 2HB ASP 11 HB1 ASP 11 -1.182 6.324 0.527 84 H CYS 12 HN CYS 12 -0.091 4.402 -0.572 85 HA CYS 12 HA CYS 12 2.453 5.072 0.430 86 1HB CYS 12 HB2 CYS 12 1.076 3.117 1.162 87 2HB CYS 12 HB1 CYS 12 1.471 2.323 -0.359 88 H LYS 13 HN LYS 13 1.454 3.494 -2.597 89 HA LYS 13 HA LYS 13 4.030 2.955 -3.570 90 1HB LYS 13 HB2 LYS 13 2.437 1.828 -4.777 91 2HB LYS 13 HB1 LYS 13 1.306 3.171 -4.745 92 1HG LYS 13 HG2 LYS 13 3.788 3.469 -6.348 93 2HG LYS 13 HG1 LYS 13 2.505 2.424 -6.963 94 1HD LYS 13 HD2 LYS 13 1.503 4.963 -5.952 95 2HD LYS 13 HD1 LYS 13 2.663 5.165 -7.267 96 1HE LYS 13 HE2 LYS 13 1.175 3.186 -8.292 97 2HE LYS 13 HE1 LYS 13 -0.041 3.962 -7.278 98 1HZ LYS 13 HZ1 LYS 13 0.452 6.065 -8.388 99 2HZ LYS 13 HZ2 LYS 13 -0.058 4.891 -9.493 100 3HZ LYS 13 HZ3 LYS 13 1.581 5.291 -9.382 101 H ARG 14 HN ARG 14 2.110 5.862 -3.534 102 HA ARG 14 HA ARG 14 3.625 7.284 -5.479 103 1HB ARG 14 HB2 ARG 14 1.248 7.708 -4.135 104 2HB ARG 14 HB1 ARG 14 2.309 8.934 -3.456 105 1HG ARG 14 HG2 ARG 14 2.553 10.031 -5.461 106 2HG ARG 14 HG1 ARG 14 2.176 8.594 -6.414 107 1HD ARG 14 HD2 ARG 14 0.356 10.202 -6.532 108 2HD ARG 14 HD1 ARG 14 -0.161 8.736 -5.699 109 HE ARG 14 HE ARG 14 -0.528 9.988 -3.826 110 1HH1 ARG 14 HH11 ARG 14 1.560 11.786 -5.967 111 2HH1 ARG 14 HH12 ARG 14 1.525 13.222 -4.998 112 1HH2 ARG 14 HH21 ARG 14 -0.575 11.875 -2.551 113 2HH2 ARG 14 HH22 ARG 14 0.313 13.272 -3.059 114 H ARG 15 HN ARG 15 4.167 6.486 -2.190 115 HA ARG 15 HA ARG 15 5.826 8.705 -1.513 116 1HB ARG 15 HB2 ARG 15 4.626 6.946 0.017 117 2HB ARG 15 HB1 ARG 15 6.103 6.022 -0.212 118 1HG ARG 15 HG2 ARG 15 7.326 7.393 1.091 119 2HG ARG 15 HG1 ARG 15 6.462 8.840 0.567 120 1HD ARG 15 HD2 ARG 15 5.912 8.558 2.841 121 2HD ARG 15 HD1 ARG 15 4.505 7.999 1.937 122 HE ARG 15 HE ARG 15 6.356 5.904 2.607 123 1HH1 ARG 15 HH11 ARG 15 3.622 7.770 3.715 124 2HH1 ARG 15 HH12 ARG 15 3.089 6.558 4.831 125 1HH2 ARG 15 HH21 ARG 15 5.656 4.310 4.076 126 2HH2 ARG 15 HH22 ARG 15 4.244 4.594 5.037 127 H GLY 16 HN GLY 16 6.594 5.301 -2.258 128 1HA GLY 16 HA2 GLY 16 8.654 5.766 -4.037 129 2HA GLY 16 HA1 GLY 16 9.388 5.772 -2.442 130 H TYR 17 HN TYR 17 6.672 3.796 -3.546 131 HA TYR 17 HA TYR 17 8.390 1.419 -3.310 132 1HB TYR 17 HB2 TYR 17 5.542 1.637 -2.316 133 2HB TYR 17 HB1 TYR 17 6.577 0.218 -2.210 134 HD1 TYR 17 HD1 TYR 17 8.191 -0.003 -0.469 135 HD2 TYR 17 HD2 TYR 17 6.061 3.649 -0.948 136 HE1 TYR 17 HE1 TYR 17 9.016 0.760 1.719 137 HE2 TYR 17 HE2 TYR 17 6.881 4.421 1.237 138 HH TYR 17 HH TYR 17 8.316 2.380 3.489 139 H ARG 18 HN ARG 18 7.171 -0.567 -4.231 140 HA ARG 18 HA ARG 18 6.068 0.238 -6.833 141 1HB ARG 18 HB2 ARG 18 8.192 -1.385 -6.314 142 2HB ARG 18 HB1 ARG 18 6.897 -2.566 -6.453 143 1HG ARG 18 HG2 ARG 18 6.559 -2.145 -8.670 144 2HG ARG 18 HG1 ARG 18 7.125 -0.478 -8.553 145 1HD ARG 18 HD2 ARG 18 9.364 -1.103 -8.619 146 2HD ARG 18 HD1 ARG 18 9.014 -2.762 -8.134 147 HE ARG 18 HE ARG 18 9.007 -1.700 -10.796 148 1HH1 ARG 18 HH11 ARG 18 7.675 -4.171 -8.723 149 2HH1 ARG 18 HH12 ARG 18 7.333 -5.257 -10.028 150 1HH2 ARG 18 HH21 ARG 18 8.556 -3.125 -12.514 151 2HH2 ARG 18 HH22 ARG 18 7.833 -4.663 -12.181 152 H SER 19 HN SER 19 5.654 -2.141 -4.227 153 HA SER 19 HA SER 19 2.834 -2.396 -5.042 154 1HB SER 19 HB2 SER 19 3.917 -4.722 -3.624 155 2HB SER 19 HB1 SER 19 2.942 -4.650 -5.092 156 HG SER 19 HG SER 19 4.694 -4.929 -6.198 157 H GLY 20 HN GLY 20 1.792 -3.808 -3.012 158 1HA GLY 20 HA2 GLY 20 2.531 -3.358 -0.410 159 2HA GLY 20 HA1 GLY 20 1.724 -1.876 -0.896 160 H LYS 21 HN LYS 21 0.713 -3.313 1.161 161 HA LYS 21 HA LYS 21 -1.950 -3.793 0.308 162 1HB LYS 21 HB2 LYS 21 -0.140 -6.083 0.467 163 2HB LYS 21 HB1 LYS 21 -1.569 -6.272 1.474 164 1HG LYS 21 HG2 LYS 21 -2.972 -6.411 -0.296 165 2HG LYS 21 HG1 LYS 21 -2.001 -5.326 -1.293 166 1HD LYS 21 HD2 LYS 21 -0.290 -7.354 -1.149 167 2HD LYS 21 HD1 LYS 21 -1.783 -8.262 -0.901 168 1HE LYS 21 HE2 LYS 21 -1.460 -6.316 -3.166 169 2HE LYS 21 HE1 LYS 21 -0.940 -7.996 -3.300 170 1HZ LYS 21 HZ1 LYS 21 -3.425 -8.279 -2.350 171 2HZ LYS 21 HZ2 LYS 21 -3.034 -8.307 -3.995 172 3HZ LYS 21 HZ3 LYS 21 -3.611 -6.883 -3.288 173 H CYS 22 HN CYS 22 -3.399 -4.172 2.088 174 HA CYS 22 HA CYS 22 -2.200 -3.413 4.664 175 1HB CYS 22 HB2 CYS 22 -4.030 -1.987 3.419 176 2HB CYS 22 HB1 CYS 22 -5.132 -3.162 4.128 177 H ILE 23 HN ILE 23 -1.892 -5.129 5.906 178 HA ILE 23 HA ILE 23 -4.101 -7.041 6.207 179 HB ILE 23 HB ILE 23 -1.189 -7.807 6.348 180 1HG1 ILE 23 HG12 ILE 23 -1.770 -7.114 4.056 181 2HG1 ILE 23 HG11 ILE 23 -1.478 -8.848 4.151 182 1HG2 ILE 23 HG21 ILE 23 -2.138 -9.519 7.451 183 2HG2 ILE 23 HG22 ILE 23 -2.579 -10.073 5.836 184 3HG2 ILE 23 HG23 ILE 23 -3.745 -9.178 6.810 185 1HD1 ILE 23 HD11 ILE 23 -4.253 -7.762 4.350 186 2HD1 ILE 23 HD12 ILE 23 -3.712 -9.366 3.855 187 3HD1 ILE 23 HD13 ILE 23 -3.476 -7.985 2.783 188 H ASN 24 HN ASN 24 -4.557 -7.704 8.274 189 HA ASN 24 HA ASN 24 -4.749 -7.429 10.536 190 1HB ASN 24 HB2 ASN 24 -1.742 -7.588 10.356 191 2HB ASN 24 HB1 ASN 24 -2.706 -7.884 11.798 192 1HD2 ASN 24 HD21 ASN 24 -1.856 -9.974 11.966 193 2HD2 ASN 24 HD22 ASN 24 -2.379 -11.251 10.927 194 H ASN 25 HN ASN 25 -5.247 -5.110 9.624 195 HA ASN 25 HA ASN 25 -5.134 -2.839 9.834 196 1HB ASN 25 HB2 ASN 25 -4.991 -2.052 12.116 197 2HB ASN 25 HB1 ASN 25 -5.874 -3.574 12.090 198 1HD2 ASN 25 HD21 ASN 25 -2.955 -1.966 13.036 199 2HD2 ASN 25 HD22 ASN 25 -2.348 -3.222 14.054 200 H ALA 26 HN ALA 26 -2.703 -4.119 8.832 201 HA ALA 26 HA ALA 26 -0.837 -1.940 9.454 202 1HB ALA 26 HB1 ALA 26 -0.214 -4.015 10.717 203 2HB ALA 26 HB2 ALA 26 1.033 -3.405 9.629 204 3HB ALA 26 HB3 ALA 26 0.060 -4.800 9.162 205 H CYS 27 HN CYS 27 -0.381 -0.894 7.637 206 HA CYS 27 HA CYS 27 -0.820 -2.168 5.071 207 1HB CYS 27 HB2 CYS 27 -1.407 0.290 5.833 208 2HB CYS 27 HB1 CYS 27 0.250 0.607 5.334 209 H LYS 28 HN LYS 28 0.774 -3.486 4.446 210 HA LYS 28 HA LYS 28 3.555 -2.678 4.846 211 1HB LYS 28 HB2 LYS 28 3.880 -5.079 3.825 212 2HB LYS 28 HB1 LYS 28 3.437 -4.876 5.511 213 1HG LYS 28 HG2 LYS 28 1.334 -5.695 5.201 214 2HG LYS 28 HG1 LYS 28 1.252 -5.154 3.523 215 1HD LYS 28 HD2 LYS 28 3.247 -7.246 4.185 216 2HD LYS 28 HD1 LYS 28 1.546 -7.717 4.189 217 1HE LYS 28 HE2 LYS 28 1.822 -6.217 1.877 218 2HE LYS 28 HE1 LYS 28 3.316 -7.148 1.959 219 1HZ LYS 28 HZ1 LYS 28 1.643 -8.367 0.757 220 2HZ LYS 28 HZ2 LYS 28 0.558 -8.246 2.049 221 3HZ LYS 28 HZ3 LYS 28 1.970 -9.163 2.214 222 H CYS 29 HN CYS 29 4.729 -1.852 3.250 223 HA CYS 29 HA CYS 29 3.645 -1.957 0.527 224 1HB CYS 29 HB2 CYS 29 4.781 0.126 2.085 225 2HB CYS 29 HB1 CYS 29 5.836 -0.159 0.708 226 H TYR 30 HN TYR 30 5.257 -2.028 -1.255 227 HA TYR 30 HA TYR 30 7.558 -3.730 -0.560 228 1HB TYR 30 HB2 TYR 30 5.592 -4.021 -2.827 229 2HB TYR 30 HB1 TYR 30 7.171 -4.799 -2.847 230 HD1 TYR 30 HD1 TYR 30 3.791 -4.953 -1.619 231 HD2 TYR 30 HD2 TYR 30 7.725 -6.467 -1.041 232 HE1 TYR 30 HE1 TYR 30 2.871 -6.837 -0.335 233 HE2 TYR 30 HE2 TYR 30 6.816 -8.356 0.244 234 HH TYR 30 HH TYR 30 3.463 -9.070 0.340 235 HA PRO 31 HA PRO 31 9.460 -0.197 -2.683 236 1HB PRO 31 HB2 PRO 31 12.011 -0.822 -1.974 237 2HB PRO 31 HB1 PRO 31 10.891 0.026 -0.902 238 1HG PRO 31 HG2 PRO 31 11.629 -2.875 -0.961 239 2HG PRO 31 HG1 PRO 31 11.431 -1.798 0.435 240 1HD PRO 31 HD2 PRO 31 9.516 -3.547 -0.323 241 2HD PRO 31 HD1 PRO 31 9.130 -1.974 0.404 242 H TYR 32 HN TYR 32 11.467 -0.103 -4.170 243 HA TYR 32 HA TYR 32 11.035 -1.790 -6.361 244 1HB TYR 32 HB2 TYR 32 12.624 0.484 -5.776 245 2HB TYR 32 HB1 TYR 32 13.701 -0.734 -6.452 246 HD1 TYR 32 HD1 TYR 32 11.180 1.718 -7.159 247 HD2 TYR 32 HD2 TYR 32 13.098 -1.754 -8.697 248 HE1 TYR 32 HE1 TYR 32 10.400 2.295 -9.419 249 HE2 TYR 32 HE2 TYR 32 12.325 -1.186 -10.961 250 HH TYR 32 HH TYR 32 10.187 0.301 -11.857 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 -13.383 4.209 11.087 2 2H ALA 1 HT2 ALA 1 -13.603 5.772 10.414 3 3H ALA 1 HT3 ALA 1 -12.027 5.220 10.809 4 HA ALA 1 HA ALA 1 -13.818 4.170 8.727 5 1HB ALA 1 HB1 ALA 1 -12.899 6.116 7.866 6 2HB ALA 1 HB2 ALA 1 -11.764 4.879 7.327 7 3HB ALA 1 HB3 ALA 1 -11.371 5.891 8.717 8 H VAL 2 HN VAL 2 -12.175 2.916 7.152 9 HA VAL 2 HA VAL 2 -10.653 1.024 8.825 10 HB VAL 2 HB VAL 2 -11.880 -0.024 6.341 11 1HG1 VAL 2 HG11 VAL 2 -10.957 -1.004 8.968 12 2HG1 VAL 2 HG12 VAL 2 -10.786 -1.715 7.363 13 3HG1 VAL 2 HG13 VAL 2 -12.310 -1.867 8.237 14 1HG2 VAL 2 HG21 VAL 2 -13.904 0.827 6.948 15 2HG2 VAL 2 HG22 VAL 2 -13.467 0.947 8.653 16 3HG2 VAL 2 HG23 VAL 2 -13.906 -0.615 7.963 17 H CYS 3 HN CYS 3 -9.194 -0.368 7.444 18 HA CYS 3 HA CYS 3 -7.426 1.351 6.011 19 1HB CYS 3 HB2 CYS 3 -6.588 -0.491 7.391 20 2HB CYS 3 HB1 CYS 3 -7.391 -1.655 6.344 21 H VAL 4 HN VAL 4 -7.406 1.815 3.914 22 HA VAL 4 HA VAL 4 -9.071 0.197 2.112 23 HB VAL 4 HB VAL 4 -7.959 2.935 1.518 24 1HG1 VAL 4 HG11 VAL 4 -9.301 1.025 -0.040 25 2HG1 VAL 4 HG12 VAL 4 -8.940 2.699 -0.461 26 3HG1 VAL 4 HG13 VAL 4 -10.478 2.293 0.301 27 1HG2 VAL 4 HG21 VAL 4 -10.685 2.301 2.643 28 2HG2 VAL 4 HG22 VAL 4 -10.055 3.895 2.226 29 3HG2 VAL 4 HG23 VAL 4 -9.351 2.991 3.567 30 H TYR 5 HN TYR 5 -8.081 -1.151 0.783 31 HA TYR 5 HA TYR 5 -5.286 -1.327 0.524 32 1HB TYR 5 HB2 TYR 5 -7.260 -3.052 0.080 33 2HB TYR 5 HB1 TYR 5 -7.028 -2.496 -1.570 34 HD1 TYR 5 HD1 TYR 5 -4.719 -2.708 -2.603 35 HD2 TYR 5 HD2 TYR 5 -5.805 -4.634 1.031 36 HE1 TYR 5 HE1 TYR 5 -2.831 -4.260 -2.869 37 HE2 TYR 5 HE2 TYR 5 -3.918 -6.191 0.777 38 HH TYR 5 HH TYR 5 -2.310 -6.688 -2.022 39 H ARG 6 HN ARG 6 -7.768 -0.003 -1.624 40 HA ARG 6 HA ARG 6 -6.048 0.582 -3.774 41 1HB ARG 6 HB2 ARG 6 -8.700 0.560 -3.507 42 2HB ARG 6 HB1 ARG 6 -8.425 2.282 -3.315 43 1HG ARG 6 HG2 ARG 6 -6.926 1.776 -5.509 44 2HG ARG 6 HG1 ARG 6 -8.224 0.595 -5.703 45 1HD ARG 6 HD2 ARG 6 -9.079 3.301 -4.920 46 2HD ARG 6 HD1 ARG 6 -8.365 3.170 -6.527 47 HE ARG 6 HE ARG 6 -10.344 1.164 -6.037 48 1HH1 ARG 6 HH11 ARG 6 -9.871 4.489 -6.987 49 2HH1 ARG 6 HH12 ARG 6 -11.361 4.581 -7.864 50 1HH2 ARG 6 HH21 ARG 6 -12.305 1.284 -7.191 51 2HH2 ARG 6 HH22 ARG 6 -12.743 2.763 -7.980 52 H THR 7 HN THR 7 -7.021 2.450 -0.942 53 HA THR 7 HA THR 7 -5.776 4.868 -1.838 54 HB THR 7 HB THR 7 -6.494 4.157 1.004 55 HG1 THR 7 HG1 THR 7 -8.139 5.031 -1.119 56 1HG2 THR 7 HG21 THR 7 -5.424 6.201 1.091 57 2HG2 THR 7 HG22 THR 7 -7.125 6.649 0.959 58 3HG2 THR 7 HG23 THR 7 -6.080 6.725 -0.460 59 H CYS 8 HN CYS 8 -4.932 2.249 0.364 60 HA CYS 8 HA CYS 8 -2.442 3.391 1.161 61 1HB CYS 8 HB2 CYS 8 -3.827 1.586 2.371 62 2HB CYS 8 HB1 CYS 8 -3.083 0.452 1.249 63 H ASP 9 HN ASP 9 -3.496 1.261 -1.401 64 HA ASP 9 HA ASP 9 -0.922 0.418 -2.234 65 1HB ASP 9 HB2 ASP 9 -2.968 -0.807 -2.846 66 2HB ASP 9 HB1 ASP 9 -3.503 0.567 -3.809 67 H LYS 10 HN LYS 10 -3.153 2.923 -3.430 68 HA LYS 10 HA LYS 10 -1.471 3.897 -5.456 69 1HB LYS 10 HB2 LYS 10 -3.993 4.578 -4.329 70 2HB LYS 10 HB1 LYS 10 -3.030 6.041 -4.453 71 1HG LYS 10 HG2 LYS 10 -2.984 4.321 -6.830 72 2HG LYS 10 HG1 LYS 10 -4.553 5.032 -6.443 73 1HD LYS 10 HD2 LYS 10 -2.889 7.164 -6.109 74 2HD LYS 10 HD1 LYS 10 -2.093 6.298 -7.425 75 1HE LYS 10 HE2 LYS 10 -3.549 7.668 -8.575 76 2HE LYS 10 HE1 LYS 10 -4.485 6.180 -8.437 77 1HZ LYS 10 HZ1 LYS 10 -5.449 8.551 -7.783 78 2HZ LYS 10 HZ2 LYS 10 -4.796 8.115 -6.285 79 3HZ LYS 10 HZ3 LYS 10 -5.949 7.123 -7.024 80 H ASP 11 HN ASP 11 -1.973 5.040 -2.122 81 HA ASP 11 HA ASP 11 -0.186 7.175 -2.174 82 1HB ASP 11 HB2 ASP 11 -1.847 6.133 -0.307 83 2HB ASP 11 HB1 ASP 11 -0.291 5.621 0.328 84 H CYS 12 HN CYS 12 0.363 3.814 -1.165 85 HA CYS 12 HA CYS 12 3.084 4.041 -0.574 86 1HB CYS 12 HB2 CYS 12 1.576 2.084 -0.049 87 2HB CYS 12 HB1 CYS 12 1.745 1.591 -1.730 88 H LYS 13 HN LYS 13 1.449 3.239 -3.616 89 HA LYS 13 HA LYS 13 3.728 2.695 -5.146 90 1HB LYS 13 HB2 LYS 13 0.926 3.032 -5.599 91 2HB LYS 13 HB1 LYS 13 1.798 3.964 -6.808 92 1HG LYS 13 HG2 LYS 13 2.431 2.138 -7.909 93 2HG LYS 13 HG1 LYS 13 2.920 1.312 -6.428 94 1HD LYS 13 HD2 LYS 13 0.961 0.214 -6.247 95 2HD LYS 13 HD1 LYS 13 0.017 1.604 -6.786 96 1HE LYS 13 HE2 LYS 13 -0.118 -0.296 -8.349 97 2HE LYS 13 HE1 LYS 13 0.583 1.142 -9.090 98 1HZ LYS 13 HZ1 LYS 13 1.673 -1.231 -9.340 99 2HZ LYS 13 HZ2 LYS 13 2.421 -0.785 -7.890 100 3HZ LYS 13 HZ3 LYS 13 2.611 0.176 -9.269 101 H ARG 14 HN ARG 14 2.145 5.724 -4.323 102 HA ARG 14 HA ARG 14 4.036 7.227 -5.959 103 1HB ARG 14 HB2 ARG 14 1.395 7.743 -4.786 104 2HB ARG 14 HB1 ARG 14 2.506 9.101 -4.668 105 1HG ARG 14 HG2 ARG 14 2.916 8.593 -7.203 106 2HG ARG 14 HG1 ARG 14 1.340 7.807 -7.081 107 1HD ARG 14 HD2 ARG 14 1.499 10.472 -5.854 108 2HD ARG 14 HD1 ARG 14 1.717 10.446 -7.603 109 HE ARG 14 HE ARG 14 -0.551 8.931 -6.700 110 1HH1 ARG 14 HH11 ARG 14 0.586 12.096 -7.629 111 2HH1 ARG 14 HH12 ARG 14 -0.987 12.670 -8.069 112 1HH2 ARG 14 HH21 ARG 14 -2.621 9.683 -7.278 113 2HH2 ARG 14 HH22 ARG 14 -2.808 11.300 -7.870 114 H ARG 15 HN ARG 15 4.639 5.758 -3.334 115 HA ARG 15 HA ARG 15 5.849 8.053 -1.951 116 1HB ARG 15 HB2 ARG 15 4.019 6.364 -0.857 117 2HB ARG 15 HB1 ARG 15 5.517 5.560 -0.413 118 1HG ARG 15 HG2 ARG 15 5.984 7.071 1.151 119 2HG ARG 15 HG1 ARG 15 5.605 8.421 0.078 120 1HD ARG 15 HD2 ARG 15 3.226 8.118 0.527 121 2HD ARG 15 HD1 ARG 15 3.589 6.747 1.573 122 HE ARG 15 HE ARG 15 4.990 9.029 2.461 123 1HH1 ARG 15 HH11 ARG 15 1.764 7.702 2.332 124 2HH1 ARG 15 HH12 ARG 15 1.225 8.549 3.743 125 1HH2 ARG 15 HH21 ARG 15 4.282 10.143 4.317 126 2HH2 ARG 15 HH22 ARG 15 2.654 9.935 4.870 127 H GLY 16 HN GLY 16 7.041 6.697 -4.140 128 1HA GLY 16 HA2 GLY 16 9.098 5.874 -4.734 129 2HA GLY 16 HA1 GLY 16 9.604 6.189 -3.082 130 H TYR 17 HN TYR 17 6.904 4.095 -3.688 131 HA TYR 17 HA TYR 17 8.607 1.761 -3.117 132 1HB TYR 17 HB2 TYR 17 5.830 2.300 -2.043 133 2HB TYR 17 HB1 TYR 17 6.749 0.820 -1.787 134 HD1 TYR 17 HD1 TYR 17 5.712 3.587 -0.142 135 HD2 TYR 17 HD2 TYR 17 9.343 1.542 -0.999 136 HE1 TYR 17 HE1 TYR 17 6.736 4.578 1.862 137 HE2 TYR 17 HE2 TYR 17 10.377 2.527 1.003 138 HH TYR 17 HH TYR 17 8.725 3.866 3.457 139 H ARG 18 HN ARG 18 7.734 -0.298 -3.855 140 HA ARG 18 HA ARG 18 6.747 -0.113 -6.519 141 1HB ARG 18 HB2 ARG 18 8.076 -2.039 -4.976 142 2HB ARG 18 HB1 ARG 18 6.536 -2.775 -5.399 143 1HG ARG 18 HG2 ARG 18 8.132 -1.436 -7.527 144 2HG ARG 18 HG1 ARG 18 8.618 -3.033 -6.955 145 1HD ARG 18 HD2 ARG 18 5.752 -2.735 -7.532 146 2HD ARG 18 HD1 ARG 18 6.812 -2.583 -8.932 147 HE ARG 18 HE ARG 18 6.174 -4.971 -7.534 148 1HH1 ARG 18 HH11 ARG 18 8.760 -3.374 -9.249 149 2HH1 ARG 18 HH12 ARG 18 9.530 -4.853 -9.718 150 1HH2 ARG 18 HH21 ARG 18 7.185 -6.917 -8.150 151 2HH2 ARG 18 HH22 ARG 18 8.636 -6.864 -9.096 152 H SER 19 HN SER 19 5.343 -1.242 -3.458 153 HA SER 19 HA SER 19 2.744 -0.403 -4.086 154 1HB SER 19 HB2 SER 19 2.913 -2.298 -5.723 155 2HB SER 19 HB1 SER 19 3.099 -3.396 -4.356 156 HG SER 19 HG SER 19 1.046 -2.849 -3.667 157 H GLY 20 HN GLY 20 1.122 -1.209 -2.489 158 1HA GLY 20 HA2 GLY 20 2.457 -2.098 -0.007 159 2HA GLY 20 HA1 GLY 20 1.257 -0.815 -0.016 160 H LYS 21 HN LYS 21 1.073 -3.117 1.575 161 HA LYS 21 HA LYS 21 -1.431 -4.220 0.537 162 1HB LYS 21 HB2 LYS 21 0.671 -5.989 1.786 163 2HB LYS 21 HB1 LYS 21 -0.840 -6.485 1.036 164 1HG LYS 21 HG2 LYS 21 -0.013 -5.764 -1.138 165 2HG LYS 21 HG1 LYS 21 1.496 -5.231 -0.393 166 1HD LYS 21 HD2 LYS 21 2.171 -7.417 0.081 167 2HD LYS 21 HD1 LYS 21 0.536 -8.058 -0.100 168 1HE LYS 21 HE2 LYS 21 1.816 -6.769 -2.455 169 2HE LYS 21 HE1 LYS 21 2.374 -8.372 -1.977 170 1HZ LYS 21 HZ1 LYS 21 0.317 -7.963 -3.604 171 2HZ LYS 21 HZ2 LYS 21 -0.506 -8.018 -2.127 172 3HZ LYS 21 HZ3 LYS 21 0.452 -9.326 -2.610 173 H CYS 22 HN CYS 22 -2.972 -4.553 2.075 174 HA CYS 22 HA CYS 22 -2.228 -3.826 4.824 175 1HB CYS 22 HB2 CYS 22 -3.945 -2.449 3.490 176 2HB CYS 22 HB1 CYS 22 -5.034 -3.810 3.737 177 H ILE 23 HN ILE 23 -1.952 -5.538 6.075 178 HA ILE 23 HA ILE 23 -4.011 -7.615 6.087 179 HB ILE 23 HB ILE 23 -1.057 -8.220 6.171 180 1HG1 ILE 23 HG12 ILE 23 -1.821 -7.497 3.925 181 2HG1 ILE 23 HG11 ILE 23 -1.321 -9.185 3.957 182 1HG2 ILE 23 HG21 ILE 23 -1.878 -10.003 7.289 183 2HG2 ILE 23 HG22 ILE 23 -2.253 -10.572 5.663 184 3HG2 ILE 23 HG23 ILE 23 -3.504 -9.800 6.637 185 1HD1 ILE 23 HD11 ILE 23 -3.494 -9.959 3.742 186 2HD1 ILE 23 HD12 ILE 23 -3.455 -8.547 2.686 187 3HD1 ILE 23 HD13 ILE 23 -4.196 -8.434 4.282 188 H ASN 24 HN ASN 24 -4.336 -8.616 8.090 189 HA ASN 24 HA ASN 24 -4.501 -8.672 10.361 190 1HB ASN 24 HB2 ASN 24 -1.567 -8.276 9.920 191 2HB ASN 24 HB1 ASN 24 -2.226 -8.301 11.551 192 1HD2 ASN 24 HD21 ASN 24 -0.999 -10.146 9.078 193 2HD2 ASN 24 HD22 ASN 24 -1.521 -11.702 9.616 194 H ASN 25 HN ASN 25 -5.097 -6.178 9.080 195 HA ASN 25 HA ASN 25 -5.683 -4.056 9.651 196 1HB ASN 25 HB2 ASN 25 -5.521 -5.468 12.138 197 2HB ASN 25 HB1 ASN 25 -4.909 -3.834 12.375 198 1HD2 ASN 25 HD21 ASN 25 -7.319 -5.016 13.421 199 2HD2 ASN 25 HD22 ASN 25 -8.635 -4.061 12.837 200 H ALA 26 HN ALA 26 -2.950 -4.758 8.795 201 HA ALA 26 HA ALA 26 -1.687 -2.236 9.554 202 1HB ALA 26 HB1 ALA 26 0.476 -3.302 9.956 203 2HB ALA 26 HB2 ALA 26 -0.261 -4.888 9.733 204 3HB ALA 26 HB3 ALA 26 -0.742 -3.876 11.095 205 H CYS 27 HN CYS 27 -1.124 -1.205 7.753 206 HA CYS 27 HA CYS 27 -0.913 -2.687 5.265 207 1HB CYS 27 HB2 CYS 27 -2.146 -0.398 5.718 208 2HB CYS 27 HB1 CYS 27 -0.548 0.270 5.411 209 H LYS 28 HN LYS 28 0.975 -3.530 4.751 210 HA LYS 28 HA LYS 28 3.435 -2.138 5.543 211 1HB LYS 28 HB2 LYS 28 2.852 -4.694 5.962 212 2HB LYS 28 HB1 LYS 28 3.474 -4.860 4.326 213 1HG LYS 28 HG2 LYS 28 5.558 -3.722 5.073 214 2HG LYS 28 HG1 LYS 28 4.930 -3.767 6.721 215 1HD LYS 28 HD2 LYS 28 4.936 -6.322 5.226 216 2HD LYS 28 HD1 LYS 28 6.508 -5.678 5.705 217 1HE LYS 28 HE2 LYS 28 5.897 -5.671 8.002 218 2HE LYS 28 HE1 LYS 28 4.207 -5.998 7.618 219 1HZ LYS 28 HZ1 LYS 28 6.491 -7.825 7.666 220 2HZ LYS 28 HZ2 LYS 28 5.275 -8.121 6.529 221 3HZ LYS 28 HZ3 LYS 28 4.897 -8.075 8.177 222 H CYS 29 HN CYS 29 4.579 -1.060 4.081 223 HA CYS 29 HA CYS 29 3.793 -1.072 1.321 224 1HB CYS 29 HB2 CYS 29 5.450 0.570 3.060 225 2HB CYS 29 HB1 CYS 29 6.093 0.422 1.432 226 H TYR 30 HN TYR 30 5.414 -1.284 -0.445 227 HA TYR 30 HA TYR 30 7.599 -3.132 0.174 228 1HB TYR 30 HB2 TYR 30 5.501 -3.632 -1.946 229 2HB TYR 30 HB1 TYR 30 6.959 -4.591 -1.715 230 HD1 TYR 30 HD1 TYR 30 7.103 -6.223 0.029 231 HD2 TYR 30 HD2 TYR 30 3.697 -3.691 -0.257 232 HE1 TYR 30 HE1 TYR 30 5.916 -7.648 1.644 233 HE2 TYR 30 HE2 TYR 30 2.500 -5.108 1.357 234 HH TYR 30 HH TYR 30 2.586 -7.446 2.174 235 HA PRO 31 HA PRO 31 9.329 0.005 -2.600 236 1HB PRO 31 HB2 PRO 31 11.926 -0.668 -2.164 237 2HB PRO 31 HB1 PRO 31 10.994 0.348 -1.059 238 1HG PRO 31 HG2 PRO 31 11.611 -2.576 -0.878 239 2HG PRO 31 HG1 PRO 31 11.646 -1.343 0.397 240 1HD PRO 31 HD2 PRO 31 9.582 -3.063 0.105 241 2HD PRO 31 HD1 PRO 31 9.359 -1.403 0.693 242 H TYR 32 HN TYR 32 11.086 -0.165 -4.353 243 HA TYR 32 HA TYR 32 10.305 -2.071 -6.244 244 1HB TYR 32 HB2 TYR 32 11.714 0.229 -6.366 245 2HB TYR 32 HB1 TYR 32 13.028 -0.933 -6.518 246 HD1 TYR 32 HD1 TYR 32 12.933 -2.631 -8.384 247 HD2 TYR 32 HD2 TYR 32 10.291 0.697 -8.187 248 HE1 TYR 32 HE1 TYR 32 12.421 -2.904 -10.774 249 HE2 TYR 32 HE2 TYR 32 9.770 0.433 -10.575 250 HH TYR 32 HH TYR 32 9.840 -1.241 -12.302 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 -12.515 3.860 10.489 2 2H ALA 1 HT2 ALA 1 -12.949 5.372 9.803 3 3H ALA 1 HT3 ALA 1 -11.346 4.782 9.639 4 HA ALA 1 HA ALA 1 -13.793 3.644 8.472 5 1HB ALA 1 HB1 ALA 1 -13.216 5.511 7.194 6 2HB ALA 1 HB2 ALA 1 -12.462 4.162 6.346 7 3HB ALA 1 HB3 ALA 1 -11.487 5.214 7.372 8 H VAL 2 HN VAL 2 -12.859 2.204 6.518 9 HA VAL 2 HA VAL 2 -11.305 0.119 7.852 10 HB VAL 2 HB VAL 2 -12.305 -0.372 5.115 11 1HG1 VAL 2 HG11 VAL 2 -13.140 -2.233 7.136 12 2HG1 VAL 2 HG12 VAL 2 -11.425 -1.866 7.314 13 3HG1 VAL 2 HG13 VAL 2 -12.042 -2.472 5.778 14 1HG2 VAL 2 HG21 VAL 2 -14.598 -0.930 6.298 15 2HG2 VAL 2 HG22 VAL 2 -14.279 0.671 5.629 16 3HG2 VAL 2 HG23 VAL 2 -14.105 0.389 7.361 17 H CYS 3 HN CYS 3 -9.806 -1.149 6.404 18 HA CYS 3 HA CYS 3 -7.790 0.636 5.427 19 1HB CYS 3 HB2 CYS 3 -7.229 -1.439 6.637 20 2HB CYS 3 HB1 CYS 3 -7.917 -2.386 5.322 21 H VAL 4 HN VAL 4 -7.687 1.452 3.449 22 HA VAL 4 HA VAL 4 -9.166 0.132 1.287 23 HB VAL 4 HB VAL 4 -7.932 2.877 1.163 24 1HG1 VAL 4 HG11 VAL 4 -8.594 1.798 -0.955 25 2HG1 VAL 4 HG12 VAL 4 -9.540 3.245 -0.607 26 3HG1 VAL 4 HG13 VAL 4 -10.240 1.649 -0.340 27 1HG2 VAL 4 HG21 VAL 4 -9.380 2.989 3.046 28 2HG2 VAL 4 HG22 VAL 4 -10.636 2.070 2.216 29 3HG2 VAL 4 HG23 VAL 4 -10.249 3.708 1.690 30 H TYR 5 HN TYR 5 -8.123 -0.974 -0.217 31 HA TYR 5 HA TYR 5 -5.301 -1.227 -0.233 32 1HB TYR 5 HB2 TYR 5 -7.215 -2.859 -1.029 33 2HB TYR 5 HB1 TYR 5 -6.936 -2.064 -2.571 34 HD1 TYR 5 HD1 TYR 5 -4.347 -1.888 -3.225 35 HD2 TYR 5 HD2 TYR 5 -6.027 -4.787 -0.603 36 HE1 TYR 5 HE1 TYR 5 -2.439 -3.377 -3.658 37 HE2 TYR 5 HE2 TYR 5 -4.123 -6.284 -1.028 38 HH TYR 5 HH TYR 5 -2.421 -6.600 -2.938 39 H ARG 6 HN ARG 6 -7.589 0.446 -2.345 40 HA ARG 6 HA ARG 6 -5.691 1.272 -4.262 41 1HB ARG 6 HB2 ARG 6 -8.358 1.252 -4.220 42 2HB ARG 6 HB1 ARG 6 -8.092 2.931 -3.782 43 1HG ARG 6 HG2 ARG 6 -6.510 2.945 -5.843 44 2HG ARG 6 HG1 ARG 6 -7.427 1.514 -6.317 45 1HD ARG 6 HD2 ARG 6 -9.143 2.758 -6.990 46 2HD ARG 6 HD1 ARG 6 -9.200 3.607 -5.446 47 HE ARG 6 HE ARG 6 -7.074 4.667 -6.880 48 1HH1 ARG 6 HH11 ARG 6 -10.544 4.450 -7.182 49 2HH1 ARG 6 HH12 ARG 6 -10.685 5.931 -8.068 50 1HH2 ARG 6 HH21 ARG 6 -7.257 6.616 -8.043 51 2HH2 ARG 6 HH22 ARG 6 -8.819 7.161 -8.558 52 H THR 7 HN THR 7 -6.874 2.731 -1.284 53 HA THR 7 HA THR 7 -5.599 5.252 -1.726 54 HB THR 7 HB THR 7 -6.419 4.153 0.955 55 HG1 THR 7 HG1 THR 7 -8.109 5.416 -0.937 56 1HG2 THR 7 HG21 THR 7 -5.491 6.227 1.332 57 2HG2 THR 7 HG22 THR 7 -7.205 6.603 1.147 58 3HG2 THR 7 HG23 THR 7 -6.090 6.887 -0.190 59 H CYS 8 HN CYS 8 -4.854 2.332 0.092 60 HA CYS 8 HA CYS 8 -2.445 3.319 1.242 61 1HB CYS 8 HB2 CYS 8 -3.701 1.373 2.144 62 2HB CYS 8 HB1 CYS 8 -3.238 0.445 0.722 63 H ASP 9 HN ASP 9 -3.222 1.559 -1.700 64 HA ASP 9 HA ASP 9 -0.570 1.002 -2.487 65 1HB ASP 9 HB2 ASP 9 -2.682 -0.081 -3.377 66 2HB ASP 9 HB1 ASP 9 -2.928 1.375 -4.336 67 H LYS 10 HN LYS 10 -2.839 3.568 -3.478 68 HA LYS 10 HA LYS 10 -1.080 4.905 -5.201 69 1HB LYS 10 HB2 LYS 10 -3.694 5.315 -4.158 70 2HB LYS 10 HB1 LYS 10 -2.795 6.815 -4.002 71 1HG LYS 10 HG2 LYS 10 -2.165 6.031 -6.541 72 2HG LYS 10 HG1 LYS 10 -3.835 5.485 -6.380 73 1HD LYS 10 HD2 LYS 10 -4.612 7.661 -5.922 74 2HD LYS 10 HD1 LYS 10 -2.983 8.262 -5.609 75 1HE LYS 10 HE2 LYS 10 -3.377 9.088 -7.722 76 2HE LYS 10 HE1 LYS 10 -2.556 7.571 -8.086 77 1HZ LYS 10 HZ1 LYS 10 -5.459 7.468 -7.868 78 2HZ LYS 10 HZ2 LYS 10 -4.424 6.657 -8.932 79 3HZ LYS 10 HZ3 LYS 10 -4.833 8.273 -9.218 80 H ASP 11 HN ASP 11 -1.859 5.579 -1.790 81 HA ASP 11 HA ASP 11 -0.176 7.758 -1.425 82 1HB ASP 11 HB2 ASP 11 -1.910 6.414 0.155 83 2HB ASP 11 HB1 ASP 11 -0.382 5.880 0.836 84 H CYS 12 HN CYS 12 0.475 4.318 -0.834 85 HA CYS 12 HA CYS 12 3.164 4.678 -0.053 86 1HB CYS 12 HB2 CYS 12 1.719 2.620 0.321 87 2HB CYS 12 HB1 CYS 12 2.055 2.192 -1.353 88 H LYS 13 HN LYS 13 1.649 4.086 -3.188 89 HA LYS 13 HA LYS 13 3.918 3.562 -4.708 90 1HB LYS 13 HB2 LYS 13 1.174 4.283 -5.210 91 2HB LYS 13 HB1 LYS 13 2.228 5.153 -6.314 92 1HG LYS 13 HG2 LYS 13 2.222 3.335 -7.581 93 2HG LYS 13 HG1 LYS 13 3.219 2.569 -6.343 94 1HD LYS 13 HD2 LYS 13 1.509 1.314 -5.555 95 2HD LYS 13 HD1 LYS 13 0.313 2.581 -5.835 96 1HE LYS 13 HE2 LYS 13 0.034 0.540 -7.258 97 2HE LYS 13 HE1 LYS 13 0.180 2.052 -8.152 98 1HZ LYS 13 HZ1 LYS 13 1.512 0.281 -9.133 99 2HZ LYS 13 HZ2 LYS 13 2.384 0.115 -7.693 100 3HZ LYS 13 HZ3 LYS 13 2.492 1.547 -8.586 101 H ARG 14 HN ARG 14 2.400 6.682 -3.946 102 HA ARG 14 HA ARG 14 4.365 8.221 -5.319 103 1HB ARG 14 HB2 ARG 14 1.915 8.704 -3.919 104 2HB ARG 14 HB1 ARG 14 3.142 9.802 -3.303 105 1HG ARG 14 HG2 ARG 14 2.427 9.462 -6.208 106 2HG ARG 14 HG1 ARG 14 1.848 10.757 -5.159 107 1HD ARG 14 HD2 ARG 14 3.791 11.882 -5.272 108 2HD ARG 14 HD1 ARG 14 4.760 10.412 -5.172 109 HE ARG 14 HE ARG 14 3.714 10.324 -7.675 110 1HH1 ARG 14 HH11 ARG 14 5.534 12.715 -5.900 111 2HH1 ARG 14 HH12 ARG 14 6.293 13.368 -7.313 112 1HH2 ARG 14 HH21 ARG 14 4.712 11.182 -9.535 113 2HH2 ARG 14 HH22 ARG 14 5.827 12.498 -9.377 114 H ARG 15 HN ARG 15 4.460 6.535 -2.403 115 HA ARG 15 HA ARG 15 6.383 8.329 -1.152 116 1HB ARG 15 HB2 ARG 15 4.672 6.112 -0.260 117 2HB ARG 15 HB1 ARG 15 6.274 6.125 0.465 118 1HG ARG 15 HG2 ARG 15 4.293 8.392 0.504 119 2HG ARG 15 HG1 ARG 15 4.681 7.319 1.849 120 1HD ARG 15 HD2 ARG 15 7.142 8.293 1.001 121 2HD ARG 15 HD1 ARG 15 6.062 9.683 0.906 122 HE ARG 15 HE ARG 15 5.942 9.708 3.194 123 1HH1 ARG 15 HH11 ARG 15 7.325 6.675 2.162 124 2HH1 ARG 15 HH12 ARG 15 7.757 6.183 3.765 125 1HH2 ARG 15 HH21 ARG 15 6.510 9.063 5.304 126 2HH2 ARG 15 HH22 ARG 15 7.294 7.538 5.548 127 H GLY 16 HN GLY 16 6.850 6.630 -3.657 128 1HA GLY 16 HA2 GLY 16 8.741 5.710 -4.579 129 2HA GLY 16 HA1 GLY 16 9.543 5.947 -3.037 130 H TYR 17 HN TYR 17 6.676 4.012 -3.874 131 HA TYR 17 HA TYR 17 8.192 1.602 -3.142 132 1HB TYR 17 HB2 TYR 17 5.443 2.366 -2.153 133 2HB TYR 17 HB1 TYR 17 6.106 0.740 -2.018 134 HD1 TYR 17 HD1 TYR 17 7.617 0.182 -0.286 135 HD2 TYR 17 HD2 TYR 17 6.587 4.256 -0.953 136 HE1 TYR 17 HE1 TYR 17 8.710 0.799 1.829 137 HE2 TYR 17 HE2 TYR 17 7.678 4.884 1.159 138 HH TYR 17 HH TYR 17 9.493 3.941 2.647 139 H ARG 18 HN ARG 18 6.522 -0.374 -3.600 140 HA ARG 18 HA ARG 18 5.685 0.009 -6.392 141 1HB ARG 18 HB2 ARG 18 7.584 -1.664 -5.594 142 2HB ARG 18 HB1 ARG 18 6.204 -2.705 -5.279 143 1HG ARG 18 HG2 ARG 18 5.487 -2.337 -7.638 144 2HG ARG 18 HG1 ARG 18 7.009 -1.486 -7.904 145 1HD ARG 18 HD2 ARG 18 8.106 -3.404 -8.158 146 2HD ARG 18 HD1 ARG 18 7.489 -4.017 -6.626 147 HE ARG 18 HE ARG 18 6.498 -4.609 -9.265 148 1HH1 ARG 18 HH11 ARG 18 5.748 -4.553 -5.856 149 2HH1 ARG 18 HH12 ARG 18 4.492 -5.737 -5.986 150 1HH2 ARG 18 HH21 ARG 18 4.847 -6.167 -9.436 151 2HH2 ARG 18 HH22 ARG 18 3.981 -6.654 -8.018 152 H SER 19 HN SER 19 4.950 -2.206 -3.684 153 HA SER 19 HA SER 19 2.170 -1.548 -3.702 154 1HB SER 19 HB2 SER 19 2.685 -4.370 -4.593 155 2HB SER 19 HB1 SER 19 1.207 -3.417 -4.719 156 HG SER 19 HG SER 19 1.897 -2.575 -6.532 157 H GLY 20 HN GLY 20 0.905 -2.985 -2.222 158 1HA GLY 20 HA2 GLY 20 2.434 -4.672 -0.433 159 2HA GLY 20 HA1 GLY 20 1.899 -3.158 0.276 160 H LYS 21 HN LYS 21 0.823 -4.691 1.752 161 HA LYS 21 HA LYS 21 -1.920 -5.095 0.871 162 1HB LYS 21 HB2 LYS 21 -0.027 -7.276 1.497 163 2HB LYS 21 HB1 LYS 21 -1.606 -7.404 2.259 164 1HG LYS 21 HG2 LYS 21 -2.299 -6.799 -0.294 165 2HG LYS 21 HG1 LYS 21 -0.830 -7.742 -0.544 166 1HD LYS 21 HD2 LYS 21 -1.815 -9.658 0.090 167 2HD LYS 21 HD1 LYS 21 -2.652 -8.888 1.439 168 1HE LYS 21 HE2 LYS 21 -4.344 -8.023 -0.075 169 2HE LYS 21 HE1 LYS 21 -3.487 -8.712 -1.454 170 1HZ LYS 21 HZ1 LYS 21 -3.809 -10.925 -0.339 171 2HZ LYS 21 HZ2 LYS 21 -5.217 -10.197 -0.930 172 3HZ LYS 21 HZ3 LYS 21 -4.877 -10.157 0.726 173 H CYS 22 HN CYS 22 -3.352 -5.665 2.747 174 HA CYS 22 HA CYS 22 -2.433 -4.193 5.110 175 1HB CYS 22 HB2 CYS 22 -4.711 -3.875 3.663 176 2HB CYS 22 HB1 CYS 22 -5.277 -4.966 4.924 177 H ILE 23 HN ILE 23 -1.594 -5.466 6.625 178 HA ILE 23 HA ILE 23 -3.077 -7.885 7.380 179 HB ILE 23 HB ILE 23 -0.069 -7.675 7.438 180 1HG1 ILE 23 HG12 ILE 23 -0.582 -9.582 5.581 181 2HG1 ILE 23 HG11 ILE 23 -1.933 -8.490 5.289 182 1HG2 ILE 23 HG21 ILE 23 -0.648 -10.308 7.464 183 2HG2 ILE 23 HG22 ILE 23 -2.049 -9.666 8.321 184 3HG2 ILE 23 HG23 ILE 23 -0.423 -9.336 8.918 185 1HD1 ILE 23 HD11 ILE 23 -0.181 -6.642 5.176 186 2HD1 ILE 23 HD12 ILE 23 -0.262 -7.779 3.831 187 3HD1 ILE 23 HD13 ILE 23 1.000 -7.945 5.051 188 H ASN 24 HN ASN 24 -3.259 -8.288 9.559 189 HA ASN 24 HA ASN 24 -3.483 -7.709 11.758 190 1HB ASN 24 HB2 ASN 24 -0.598 -6.983 11.272 191 2HB ASN 24 HB1 ASN 24 -1.335 -7.054 12.868 192 1HD2 ASN 24 HD21 ASN 24 -0.459 -8.774 13.804 193 2HD2 ASN 24 HD22 ASN 24 -0.422 -10.368 13.138 194 H ASN 25 HN ASN 25 -4.719 -5.878 10.409 195 HA ASN 25 HA ASN 25 -5.378 -3.700 10.224 196 1HB ASN 25 HB2 ASN 25 -5.608 -2.539 12.331 197 2HB ASN 25 HB1 ASN 25 -5.926 -4.252 12.587 198 1HD2 ASN 25 HD21 ASN 25 -3.687 -1.639 13.115 199 2HD2 ASN 25 HD22 ASN 25 -2.767 -2.414 14.354 200 H ALA 26 HN ALA 26 -2.633 -4.239 9.406 201 HA ALA 26 HA ALA 26 -1.651 -1.486 9.531 202 1HB ALA 26 HB1 ALA 26 -0.368 -2.517 11.251 203 2HB ALA 26 HB2 ALA 26 0.685 -2.345 9.846 204 3HB ALA 26 HB3 ALA 26 -0.017 -3.916 10.236 205 H CYS 27 HN CYS 27 -1.359 -0.793 7.524 206 HA CYS 27 HA CYS 27 -1.196 -2.664 5.329 207 1HB CYS 27 HB2 CYS 27 -2.458 -0.355 5.477 208 2HB CYS 27 HB1 CYS 27 -0.901 0.290 4.970 209 H LYS 28 HN LYS 28 0.699 -3.558 4.850 210 HA LYS 28 HA LYS 28 3.121 -1.886 5.024 211 1HB LYS 28 HB2 LYS 28 2.551 -4.531 5.999 212 2HB LYS 28 HB1 LYS 28 3.864 -4.605 4.833 213 1HG LYS 28 HG2 LYS 28 5.169 -4.121 6.577 214 2HG LYS 28 HG1 LYS 28 4.601 -2.466 6.346 215 1HD LYS 28 HD2 LYS 28 2.737 -2.964 7.931 216 2HD LYS 28 HD1 LYS 28 3.490 -4.529 8.245 217 1HE LYS 28 HE2 LYS 28 5.589 -2.847 8.618 218 2HE LYS 28 HE1 LYS 28 4.247 -1.843 9.165 219 1HZ LYS 28 HZ1 LYS 28 3.672 -4.135 10.380 220 2HZ LYS 28 HZ2 LYS 28 4.621 -2.925 11.085 221 3HZ LYS 28 HZ3 LYS 28 5.360 -4.253 10.341 222 H CYS 29 HN CYS 29 4.108 -1.398 3.181 223 HA CYS 29 HA CYS 29 3.655 -3.120 0.840 224 1HB CYS 29 HB2 CYS 29 3.945 -0.856 -0.445 225 2HB CYS 29 HB1 CYS 29 2.383 -1.285 0.239 226 H TYR 30 HN TYR 30 5.313 -2.826 -0.879 227 HA TYR 30 HA TYR 30 7.937 -2.078 0.203 228 1HB TYR 30 HB2 TYR 30 7.856 -4.437 -1.583 229 2HB TYR 30 HB1 TYR 30 8.879 -4.118 -0.186 230 HD1 TYR 30 HD1 TYR 30 7.908 -4.449 2.122 231 HD2 TYR 30 HD2 TYR 30 5.926 -5.772 -1.402 232 HE1 TYR 30 HE1 TYR 30 6.508 -5.948 3.478 233 HE2 TYR 30 HE2 TYR 30 4.521 -7.275 -0.056 234 HH TYR 30 HH TYR 30 3.804 -7.115 2.732 235 HA PRO 31 HA PRO 31 8.486 -0.213 -3.775 236 1HB PRO 31 HB2 PRO 31 11.121 0.196 -3.767 237 2HB PRO 31 HB1 PRO 31 10.070 1.016 -2.605 238 1HG PRO 31 HG2 PRO 31 11.825 -1.372 -2.217 239 2HG PRO 31 HG1 PRO 31 11.541 -0.002 -1.130 240 1HD PRO 31 HD2 PRO 31 10.306 -2.475 -0.924 241 2HD PRO 31 HD1 PRO 31 9.686 -0.968 -0.224 242 H TYR 32 HN TYR 32 10.193 -0.357 -5.685 243 HA TYR 32 HA TYR 32 9.842 -2.873 -6.892 244 1HB TYR 32 HB2 TYR 32 11.177 -0.335 -7.580 245 2HB TYR 32 HB1 TYR 32 11.847 -1.760 -8.367 246 HD1 TYR 32 HD1 TYR 32 9.127 0.601 -8.291 247 HD2 TYR 32 HD2 TYR 32 10.327 -3.210 -9.754 248 HE1 TYR 32 HE1 TYR 32 7.311 0.671 -9.947 249 HE2 TYR 32 HE2 TYR 32 8.515 -3.150 -11.415 250 HH TYR 32 HH TYR 32 6.928 -0.462 -12.308 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 -13.052 3.761 10.471 2 2H ALA 1 HT2 ALA 1 -13.601 5.309 9.973 3 3H ALA 1 HT3 ALA 1 -11.919 4.976 10.050 4 HA ALA 1 HA ALA 1 -13.921 4.067 8.132 5 1HB ALA 1 HB1 ALA 1 -12.497 4.986 6.536 6 2HB ALA 1 HB2 ALA 1 -11.104 4.949 7.617 7 3HB ALA 1 HB3 ALA 1 -12.395 6.121 7.881 8 H VAL 2 HN VAL 2 -12.566 2.757 6.341 9 HA VAL 2 HA VAL 2 -11.392 0.467 7.772 10 HB VAL 2 HB VAL 2 -12.108 -0.458 5.247 11 1HG1 VAL 2 HG11 VAL 2 -12.385 -1.271 7.788 12 2HG1 VAL 2 HG12 VAL 2 -13.209 -2.035 6.428 13 3HG1 VAL 2 HG13 VAL 2 -14.059 -0.853 7.424 14 1HG2 VAL 2 HG21 VAL 2 -13.451 1.569 4.886 15 2HG2 VAL 2 HG22 VAL 2 -14.368 1.210 6.349 16 3HG2 VAL 2 HG23 VAL 2 -14.452 0.118 4.966 17 H CYS 3 HN CYS 3 -9.655 -0.661 6.776 18 HA CYS 3 HA CYS 3 -7.717 1.022 5.595 19 1HB CYS 3 HB2 CYS 3 -7.094 -0.887 6.987 20 2HB CYS 3 HB1 CYS 3 -7.795 -1.995 5.812 21 H VAL 4 HN VAL 4 -7.604 1.682 3.562 22 HA VAL 4 HA VAL 4 -8.958 0.124 1.480 23 HB VAL 4 HB VAL 4 -7.819 2.891 1.150 24 1HG1 VAL 4 HG11 VAL 4 -9.298 3.045 -0.719 25 2HG1 VAL 4 HG12 VAL 4 -10.084 1.526 -0.292 26 3HG1 VAL 4 HG13 VAL 4 -8.415 1.525 -0.860 27 1HG2 VAL 4 HG21 VAL 4 -9.441 2.780 3.061 28 2HG2 VAL 4 HG22 VAL 4 -10.664 2.252 1.905 29 3HG2 VAL 4 HG23 VAL 4 -9.922 3.844 1.739 30 H TYR 5 HN TYR 5 -7.806 -1.128 0.200 31 HA TYR 5 HA TYR 5 -4.983 -1.231 0.270 32 1HB TYR 5 HB2 TYR 5 -6.434 -3.178 -0.183 33 2HB TYR 5 HB1 TYR 5 -6.854 -2.464 -1.730 34 HD1 TYR 5 HD1 TYR 5 -4.831 -1.921 -3.312 35 HD2 TYR 5 HD2 TYR 5 -4.678 -4.680 -0.078 36 HE1 TYR 5 HE1 TYR 5 -2.894 -3.023 -4.352 37 HE2 TYR 5 HE2 TYR 5 -2.741 -5.789 -1.107 38 HH TYR 5 HH TYR 5 -1.788 -6.034 -3.446 39 H ARG 6 HN ARG 6 -7.255 -0.050 -2.188 40 HA ARG 6 HA ARG 6 -5.293 0.624 -4.092 41 1HB ARG 6 HB2 ARG 6 -7.942 0.408 -4.207 42 2HB ARG 6 HB1 ARG 6 -7.827 2.149 -4.014 43 1HG ARG 6 HG2 ARG 6 -6.263 2.175 -5.968 44 2HG ARG 6 HG1 ARG 6 -6.654 0.472 -6.212 45 1HD ARG 6 HD2 ARG 6 -8.233 1.348 -7.577 46 2HD ARG 6 HD1 ARG 6 -9.133 1.464 -6.065 47 HE ARG 6 HE ARG 6 -7.823 3.825 -6.181 48 1HH1 ARG 6 HH11 ARG 6 -9.865 2.121 -8.441 49 2HH1 ARG 6 HH12 ARG 6 -10.464 3.567 -9.182 50 1HH2 ARG 6 HH21 ARG 6 -8.610 5.728 -7.155 51 2HH2 ARG 6 HH22 ARG 6 -9.751 5.614 -8.453 52 H THR 7 HN THR 7 -6.898 2.565 -1.587 53 HA THR 7 HA THR 7 -5.634 4.998 -2.366 54 HB THR 7 HB THR 7 -6.829 4.333 0.325 55 HG1 THR 7 HG1 THR 7 -8.748 5.214 -0.577 56 1HG2 THR 7 HG21 THR 7 -6.333 6.929 -1.092 57 2HG2 THR 7 HG22 THR 7 -5.724 6.409 0.479 58 3HG2 THR 7 HG23 THR 7 -7.439 6.765 0.272 59 H CYS 8 HN CYS 8 -4.992 2.494 0.005 60 HA CYS 8 HA CYS 8 -2.791 3.826 1.236 61 1HB CYS 8 HB2 CYS 8 -4.121 1.943 2.260 62 2HB CYS 8 HB1 CYS 8 -3.294 0.846 1.159 63 H ASP 9 HN ASP 9 -3.104 1.440 -1.346 64 HA ASP 9 HA ASP 9 -0.367 0.954 -1.746 65 1HB ASP 9 HB2 ASP 9 -2.250 -0.419 -2.679 66 2HB ASP 9 HB1 ASP 9 -2.543 0.867 -3.845 67 H LYS 10 HN LYS 10 -2.596 3.236 -3.312 68 HA LYS 10 HA LYS 10 -0.692 4.359 -5.055 69 1HB LYS 10 HB2 LYS 10 -3.436 4.746 -4.431 70 2HB LYS 10 HB1 LYS 10 -2.644 6.313 -4.409 71 1HG LYS 10 HG2 LYS 10 -2.109 6.228 -6.641 72 2HG LYS 10 HG1 LYS 10 -2.152 4.465 -6.692 73 1HD LYS 10 HD2 LYS 10 -4.670 4.726 -6.218 74 2HD LYS 10 HD1 LYS 10 -4.438 6.407 -6.700 75 1HE LYS 10 HE2 LYS 10 -4.868 5.630 -8.764 76 2HE LYS 10 HE1 LYS 10 -3.182 5.117 -8.723 77 1HZ LYS 10 HZ1 LYS 10 -5.108 3.264 -7.581 78 2HZ LYS 10 HZ2 LYS 10 -3.750 2.960 -8.542 79 3HZ LYS 10 HZ3 LYS 10 -5.194 3.474 -9.258 80 H ASP 11 HN ASP 11 -1.777 5.306 -1.819 81 HA ASP 11 HA ASP 11 -0.409 7.724 -1.609 82 1HB ASP 11 HB2 ASP 11 -2.056 6.332 0.024 83 2HB ASP 11 HB1 ASP 11 -0.517 6.065 0.825 84 H CYS 12 HN CYS 12 0.620 4.473 -0.604 85 HA CYS 12 HA CYS 12 3.226 5.312 0.172 86 1HB CYS 12 HB2 CYS 12 1.972 3.214 0.928 87 2HB CYS 12 HB1 CYS 12 2.470 2.499 -0.602 88 H LYS 13 HN LYS 13 1.912 3.818 -2.763 89 HA LYS 13 HA LYS 13 4.285 3.313 -4.111 90 1HB LYS 13 HB2 LYS 13 2.506 2.418 -5.236 91 2HB LYS 13 HB1 LYS 13 1.462 3.788 -4.896 92 1HG LYS 13 HG2 LYS 13 3.730 4.096 -6.811 93 2HG LYS 13 HG1 LYS 13 2.233 3.313 -7.325 94 1HD LYS 13 HD2 LYS 13 1.339 5.554 -6.003 95 2HD LYS 13 HD1 LYS 13 2.797 6.130 -6.814 96 1HE LYS 13 HE2 LYS 13 1.858 4.993 -8.907 97 2HE LYS 13 HE1 LYS 13 0.333 4.912 -8.026 98 1HZ LYS 13 HZ1 LYS 13 1.313 7.045 -9.484 99 2HZ LYS 13 HZ2 LYS 13 1.425 7.520 -7.864 100 3HZ LYS 13 HZ3 LYS 13 -0.063 7.026 -8.499 101 H ARG 14 HN ARG 14 2.441 6.303 -3.819 102 HA ARG 14 HA ARG 14 3.952 7.785 -5.694 103 1HB ARG 14 HB2 ARG 14 1.708 8.459 -5.001 104 2HB ARG 14 HB1 ARG 14 2.275 8.709 -3.356 105 1HG ARG 14 HG2 ARG 14 2.502 10.836 -3.962 106 2HG ARG 14 HG1 ARG 14 3.969 10.296 -4.777 107 1HD ARG 14 HD2 ARG 14 2.664 9.940 -6.836 108 2HD ARG 14 HD1 ARG 14 1.228 10.546 -6.011 109 HE ARG 14 HE ARG 14 3.310 12.445 -5.848 110 1HH1 ARG 14 HH11 ARG 14 1.045 11.083 -8.127 111 2HH1 ARG 14 HH12 ARG 14 0.990 12.505 -9.113 112 1HH2 ARG 14 HH21 ARG 14 3.240 14.316 -7.145 113 2HH2 ARG 14 HH22 ARG 14 2.237 14.341 -8.557 114 H ARG 15 HN ARG 15 4.458 6.915 -2.375 115 HA ARG 15 HA ARG 15 6.373 8.971 -1.808 116 1HB ARG 15 HB2 ARG 15 5.932 6.331 -0.400 117 2HB ARG 15 HB1 ARG 15 6.826 7.707 0.230 118 1HG ARG 15 HG2 ARG 15 4.432 8.856 -0.307 119 2HG ARG 15 HG1 ARG 15 3.937 7.218 0.123 120 1HD ARG 15 HD2 ARG 15 4.455 7.506 2.285 121 2HD ARG 15 HD1 ARG 15 5.959 8.347 1.908 122 HE ARG 15 HE ARG 15 4.045 10.173 1.316 123 1HH1 ARG 15 HH11 ARG 15 4.737 8.249 4.144 124 2HH1 ARG 15 HH12 ARG 15 4.106 9.422 5.250 125 1HH2 ARG 15 HH21 ARG 15 3.215 11.717 2.770 126 2HH2 ARG 15 HH22 ARG 15 3.241 11.390 4.471 127 H GLY 16 HN GLY 16 6.533 5.570 -2.764 128 1HA GLY 16 HA2 GLY 16 8.635 5.554 -4.403 129 2HA GLY 16 HA1 GLY 16 9.418 5.626 -2.835 130 H TYR 17 HN TYR 17 6.490 3.881 -3.814 131 HA TYR 17 HA TYR 17 7.911 1.360 -3.284 132 1HB TYR 17 HB2 TYR 17 5.197 2.182 -2.248 133 2HB TYR 17 HB1 TYR 17 5.777 0.519 -2.232 134 HD1 TYR 17 HD1 TYR 17 6.924 3.919 -1.171 135 HD2 TYR 17 HD2 TYR 17 6.764 -0.240 -0.292 136 HE1 TYR 17 HE1 TYR 17 8.044 4.337 0.978 137 HE2 TYR 17 HE2 TYR 17 7.882 0.166 1.860 138 HH TYR 17 HH TYR 17 8.027 2.879 3.375 139 H ARG 18 HN ARG 18 6.380 -0.554 -3.983 140 HA ARG 18 HA ARG 18 5.249 0.156 -6.609 141 1HB ARG 18 HB2 ARG 18 6.074 -1.901 -7.523 142 2HB ARG 18 HB1 ARG 18 7.411 -1.070 -6.743 143 1HG ARG 18 HG2 ARG 18 7.832 -2.859 -5.518 144 2HG ARG 18 HG1 ARG 18 6.210 -2.793 -4.831 145 1HD ARG 18 HD2 ARG 18 5.755 -4.700 -5.875 146 2HD ARG 18 HD1 ARG 18 5.901 -3.845 -7.409 147 HE ARG 18 HE ARG 18 8.466 -4.549 -6.567 148 1HH1 ARG 18 HH11 ARG 18 5.528 -6.106 -7.627 149 2HH1 ARG 18 HH12 ARG 18 6.348 -7.477 -8.294 150 1HH2 ARG 18 HH21 ARG 18 9.546 -6.351 -7.444 151 2HH2 ARG 18 HH22 ARG 18 8.629 -7.617 -8.190 152 H SER 19 HN SER 19 4.911 -1.807 -3.713 153 HA SER 19 HA SER 19 2.102 -2.177 -4.341 154 1HB SER 19 HB2 SER 19 3.866 -4.577 -3.803 155 2HB SER 19 HB1 SER 19 2.124 -4.595 -4.076 156 HG SER 19 HG SER 19 2.567 -3.736 -6.184 157 H GLY 20 HN GLY 20 1.132 -3.665 -2.470 158 1HA GLY 20 HA2 GLY 20 2.258 -3.744 0.065 159 2HA GLY 20 HA1 GLY 20 1.476 -2.176 -0.077 160 H LYS 21 HN LYS 21 0.716 -4.113 1.798 161 HA LYS 21 HA LYS 21 -2.058 -4.494 0.992 162 1HB LYS 21 HB2 LYS 21 -0.656 -6.802 2.301 163 2HB LYS 21 HB1 LYS 21 -2.170 -6.791 1.408 164 1HG LYS 21 HG2 LYS 21 -0.890 -6.363 -0.668 165 2HG LYS 21 HG1 LYS 21 0.601 -6.519 0.263 166 1HD LYS 21 HD2 LYS 21 -1.506 -8.668 0.102 167 2HD LYS 21 HD1 LYS 21 -0.101 -8.592 -0.962 168 1HE LYS 21 HE2 LYS 21 1.268 -9.396 0.614 169 2HE LYS 21 HE1 LYS 21 0.586 -8.351 1.860 170 1HZ LYS 21 HZ1 LYS 21 -1.089 -10.561 0.989 171 2HZ LYS 21 HZ2 LYS 21 -0.833 -9.943 2.542 172 3HZ LYS 21 HZ3 LYS 21 0.303 -10.988 1.851 173 H CYS 22 HN CYS 22 -3.363 -5.349 2.924 174 HA CYS 22 HA CYS 22 -2.431 -3.938 5.330 175 1HB CYS 22 HB2 CYS 22 -4.756 -3.569 3.944 176 2HB CYS 22 HB1 CYS 22 -5.271 -4.707 5.185 177 H ILE 23 HN ILE 23 -1.238 -5.661 6.188 178 HA ILE 23 HA ILE 23 -2.735 -8.080 6.882 179 HB ILE 23 HB ILE 23 -0.573 -8.358 5.700 180 1HG1 ILE 23 HG12 ILE 23 0.418 -9.811 7.763 181 2HG1 ILE 23 HG11 ILE 23 -1.223 -9.530 8.337 182 1HG2 ILE 23 HG21 ILE 23 1.488 -7.769 6.627 183 2HG2 ILE 23 HG22 ILE 23 0.794 -7.493 8.224 184 3HG2 ILE 23 HG23 ILE 23 0.466 -6.360 6.913 185 1HD1 ILE 23 HD11 ILE 23 -0.874 -11.648 7.058 186 2HD1 ILE 23 HD12 ILE 23 -0.595 -10.657 5.626 187 3HD1 ILE 23 HD13 ILE 23 -2.156 -10.604 6.444 188 H ASN 24 HN ASN 24 -3.093 -8.695 8.958 189 HA ASN 24 HA ASN 24 -3.463 -8.432 11.193 190 1HB ASN 24 HB2 ASN 24 -0.584 -7.647 10.890 191 2HB ASN 24 HB1 ASN 24 -1.373 -7.623 12.462 192 1HD2 ASN 24 HD21 ASN 24 0.684 -9.362 10.866 193 2HD2 ASN 24 HD22 ASN 24 0.222 -10.968 11.306 194 H ASN 25 HN ASN 25 -4.541 -6.381 9.749 195 HA ASN 25 HA ASN 25 -5.425 -4.295 9.954 196 1HB ASN 25 HB2 ASN 25 -4.882 -5.194 12.665 197 2HB ASN 25 HB1 ASN 25 -4.809 -3.440 12.533 198 1HD2 ASN 25 HD21 ASN 25 -6.784 -5.836 13.332 199 2HD2 ASN 25 HD22 ASN 25 -8.310 -5.169 12.872 200 H ALA 26 HN ALA 26 -2.614 -4.665 9.142 201 HA ALA 26 HA ALA 26 -1.733 -1.903 9.596 202 1HB ALA 26 HB1 ALA 26 0.040 -4.335 9.790 203 2HB ALA 26 HB2 ALA 26 -0.415 -3.258 11.110 204 3HB ALA 26 HB3 ALA 26 0.603 -2.664 9.798 205 H CYS 27 HN CYS 27 -1.252 -0.878 7.764 206 HA CYS 27 HA CYS 27 -1.261 -2.376 5.278 207 1HB CYS 27 HB2 CYS 27 -2.435 -0.083 5.815 208 2HB CYS 27 HB1 CYS 27 -0.860 0.587 5.406 209 H LYS 28 HN LYS 28 0.624 -3.338 4.823 210 HA LYS 28 HA LYS 28 3.098 -1.776 5.123 211 1HB LYS 28 HB2 LYS 28 2.427 -4.523 5.684 212 2HB LYS 28 HB1 LYS 28 3.743 -4.453 4.521 213 1HG LYS 28 HG2 LYS 28 4.162 -2.582 6.677 214 2HG LYS 28 HG1 LYS 28 3.923 -4.221 7.285 215 1HD LYS 28 HD2 LYS 28 5.755 -5.054 6.085 216 2HD LYS 28 HD1 LYS 28 5.804 -3.651 5.016 217 1HE LYS 28 HE2 LYS 28 7.026 -2.434 6.463 218 2HE LYS 28 HE1 LYS 28 6.151 -3.043 7.867 219 1HZ LYS 28 HZ1 LYS 28 7.880 -4.951 6.521 220 2HZ LYS 28 HZ2 LYS 28 7.622 -4.701 8.174 221 3HZ LYS 28 HZ3 LYS 28 8.668 -3.683 7.319 222 H CYS 29 HN CYS 29 4.171 -1.139 3.365 223 HA CYS 29 HA CYS 29 3.427 -2.340 0.781 224 1HB CYS 29 HB2 CYS 29 4.303 0.025 -0.050 225 2HB CYS 29 HB1 CYS 29 2.637 -0.214 0.458 226 H TYR 30 HN TYR 30 5.063 -2.557 -0.804 227 HA TYR 30 HA TYR 30 7.812 -2.342 0.226 228 1HB TYR 30 HB2 TYR 30 6.996 -4.602 -1.575 229 2HB TYR 30 HB1 TYR 30 8.388 -4.488 -0.504 230 HD1 TYR 30 HD1 TYR 30 8.124 -4.860 1.916 231 HD2 TYR 30 HD2 TYR 30 4.860 -5.349 -0.769 232 HE1 TYR 30 HE1 TYR 30 6.894 -6.101 3.646 233 HE2 TYR 30 HE2 TYR 30 3.621 -6.590 0.954 234 HH TYR 30 HH TYR 30 4.029 -7.853 2.966 235 HA PRO 31 HA PRO 31 8.494 -0.408 -3.713 236 1HB PRO 31 HB2 PRO 31 11.119 0.010 -3.531 237 2HB PRO 31 HB1 PRO 31 9.993 0.830 -2.441 238 1HG PRO 31 HG2 PRO 31 11.751 -1.529 -1.930 239 2HG PRO 31 HG1 PRO 31 11.346 -0.177 -0.858 240 1HD PRO 31 HD2 PRO 31 10.156 -2.702 -0.816 241 2HD PRO 31 HD1 PRO 31 9.494 -1.235 -0.071 242 H TYR 32 HN TYR 32 10.060 -0.593 -5.614 243 HA TYR 32 HA TYR 32 9.960 -3.231 -6.628 244 1HB TYR 32 HB2 TYR 32 10.409 -0.647 -7.663 245 2HB TYR 32 HB1 TYR 32 11.832 -1.593 -8.085 246 HD1 TYR 32 HD1 TYR 32 8.292 -1.063 -8.691 247 HD2 TYR 32 HD2 TYR 32 11.595 -3.626 -9.479 248 HE1 TYR 32 HE1 TYR 32 7.053 -2.076 -10.557 249 HE2 TYR 32 HE2 TYR 32 10.365 -4.646 -11.348 250 HH TYR 32 HH TYR 32 8.527 -4.087 -12.867 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 -13.144 6.182 9.610 2 2H ALA 1 HT2 ALA 1 -11.465 5.832 9.659 3 3H ALA 1 HT3 ALA 1 -12.597 4.708 10.292 4 HA ALA 1 HA ALA 1 -13.563 4.706 7.972 5 1HB ALA 1 HB1 ALA 1 -12.186 5.354 6.205 6 2HB ALA 1 HB2 ALA 1 -10.759 5.466 7.234 7 3HB ALA 1 HB3 ALA 1 -12.037 6.674 7.365 8 H VAL 2 HN VAL 2 -12.391 3.101 6.348 9 HA VAL 2 HA VAL 2 -11.109 1.040 8.016 10 HB VAL 2 HB VAL 2 -12.060 -0.254 5.742 11 1HG1 VAL 2 HG11 VAL 2 -12.095 -0.672 8.383 12 2HG1 VAL 2 HG12 VAL 2 -13.076 -1.600 7.249 13 3HG1 VAL 2 HG13 VAL 2 -13.790 -0.253 8.136 14 1HG2 VAL 2 HG21 VAL 2 -13.420 1.713 5.186 15 2HG2 VAL 2 HG22 VAL 2 -14.195 1.615 6.767 16 3HG2 VAL 2 HG23 VAL 2 -14.418 0.317 5.593 17 H CYS 3 HN CYS 3 -9.560 -0.360 6.958 18 HA CYS 3 HA CYS 3 -7.602 1.041 5.531 19 1HB CYS 3 HB2 CYS 3 -7.089 -0.927 6.892 20 2HB CYS 3 HB1 CYS 3 -7.996 -1.948 5.782 21 H VAL 4 HN VAL 4 -7.597 1.680 3.494 22 HA VAL 4 HA VAL 4 -9.190 0.172 1.530 23 HB VAL 4 HB VAL 4 -8.189 3.002 1.229 24 1HG1 VAL 4 HG11 VAL 4 -8.727 1.794 -0.846 25 2HG1 VAL 4 HG12 VAL 4 -9.829 3.139 -0.553 26 3HG1 VAL 4 HG13 VAL 4 -10.351 1.486 -0.229 27 1HG2 VAL 4 HG21 VAL 4 -9.656 3.024 3.114 28 2HG2 VAL 4 HG22 VAL 4 -10.827 1.998 2.285 29 3HG2 VAL 4 HG23 VAL 4 -10.555 3.651 1.732 30 H TYR 5 HN TYR 5 -8.111 -1.016 0.116 31 HA TYR 5 HA TYR 5 -5.310 -1.080 -0.057 32 1HB TYR 5 HB2 TYR 5 -6.973 -2.919 -0.650 33 2HB TYR 5 HB1 TYR 5 -7.156 -2.091 -2.188 34 HD1 TYR 5 HD1 TYR 5 -5.204 -1.895 -3.726 35 HD2 TYR 5 HD2 TYR 5 -5.070 -4.273 -0.201 36 HE1 TYR 5 HE1 TYR 5 -3.234 -3.075 -4.605 37 HE2 TYR 5 HE2 TYR 5 -3.099 -5.458 -1.069 38 HH TYR 5 HH TYR 5 -2.112 -5.280 -4.281 39 H ARG 6 HN ARG 6 -7.746 0.491 -2.062 40 HA ARG 6 HA ARG 6 -5.988 1.303 -4.117 41 1HB ARG 6 HB2 ARG 6 -8.646 1.247 -3.907 42 2HB ARG 6 HB1 ARG 6 -8.378 2.937 -3.514 43 1HG ARG 6 HG2 ARG 6 -8.579 3.169 -5.747 44 2HG ARG 6 HG1 ARG 6 -6.860 2.775 -5.702 45 1HD ARG 6 HD2 ARG 6 -7.213 0.947 -6.911 46 2HD ARG 6 HD1 ARG 6 -8.375 0.352 -5.725 47 HE ARG 6 HE ARG 6 -9.822 2.140 -7.129 48 1HH1 ARG 6 HH11 ARG 6 -7.800 -0.536 -8.093 49 2HH1 ARG 6 HH12 ARG 6 -8.711 -0.870 -9.527 50 1HH2 ARG 6 HH21 ARG 6 -11.021 1.702 -9.015 51 2HH2 ARG 6 HH22 ARG 6 -10.539 0.400 -10.051 52 H THR 7 HN THR 7 -7.030 2.824 -1.111 53 HA THR 7 HA THR 7 -5.795 5.338 -1.675 54 HB THR 7 HB THR 7 -6.607 4.194 1.001 55 HG1 THR 7 HG1 THR 7 -8.277 4.365 -0.703 56 1HG2 THR 7 HG21 THR 7 -5.807 6.905 0.104 57 2HG2 THR 7 HG22 THR 7 -5.484 6.071 1.624 58 3HG2 THR 7 HG23 THR 7 -7.080 6.755 1.315 59 H CYS 8 HN CYS 8 -4.953 2.476 0.200 60 HA CYS 8 HA CYS 8 -2.465 3.508 1.135 61 1HB CYS 8 HB2 CYS 8 -3.818 1.565 2.123 62 2HB CYS 8 HB1 CYS 8 -3.119 0.580 0.842 63 H ASP 9 HN ASP 9 -3.482 1.631 -1.652 64 HA ASP 9 HA ASP 9 -0.910 0.933 -2.578 65 1HB ASP 9 HB2 ASP 9 -2.946 -0.194 -3.364 66 2HB ASP 9 HB1 ASP 9 -3.474 1.293 -4.145 67 H LYS 10 HN LYS 10 -3.098 3.609 -3.429 68 HA LYS 10 HA LYS 10 -1.379 4.801 -5.311 69 1HB LYS 10 HB2 LYS 10 -3.920 5.352 -4.165 70 2HB LYS 10 HB1 LYS 10 -2.950 6.813 -4.073 71 1HG LYS 10 HG2 LYS 10 -2.977 7.132 -6.297 72 2HG LYS 10 HG1 LYS 10 -2.865 5.407 -6.652 73 1HD LYS 10 HD2 LYS 10 -5.329 5.444 -5.648 74 2HD LYS 10 HD1 LYS 10 -5.255 7.114 -6.215 75 1HE LYS 10 HE2 LYS 10 -4.739 4.648 -7.876 76 2HE LYS 10 HE1 LYS 10 -6.197 5.639 -7.919 77 1HZ LYS 10 HZ1 LYS 10 -3.578 6.143 -9.070 78 2HZ LYS 10 HZ2 LYS 10 -4.340 7.483 -8.374 79 3HZ LYS 10 HZ3 LYS 10 -5.110 6.620 -9.609 80 H ASP 11 HN ASP 11 -1.866 5.428 -1.849 81 HA ASP 11 HA ASP 11 -0.074 7.572 -1.620 82 1HB ASP 11 HB2 ASP 11 -1.765 6.209 0.065 83 2HB ASP 11 HB1 ASP 11 -0.184 5.776 0.686 84 H CYS 12 HN CYS 12 0.342 4.101 -1.476 85 HA CYS 12 HA CYS 12 3.051 4.102 -0.642 86 1HB CYS 12 HB2 CYS 12 1.332 2.188 -0.580 87 2HB CYS 12 HB1 CYS 12 1.766 1.920 -2.263 88 H LYS 13 HN LYS 13 1.584 3.524 -3.857 89 HA LYS 13 HA LYS 13 3.996 3.330 -5.257 90 1HB LYS 13 HB2 LYS 13 2.654 3.845 -7.277 91 2HB LYS 13 HB1 LYS 13 1.923 2.607 -6.264 92 1HG LYS 13 HG2 LYS 13 0.124 3.928 -6.842 93 2HG LYS 13 HG1 LYS 13 0.571 4.554 -5.255 94 1HD LYS 13 HD2 LYS 13 0.890 6.581 -6.114 95 2HD LYS 13 HD1 LYS 13 2.074 5.937 -7.252 96 1HE LYS 13 HE2 LYS 13 0.190 5.284 -8.742 97 2HE LYS 13 HE1 LYS 13 -0.913 6.099 -7.633 98 1HZ LYS 13 HZ1 LYS 13 0.937 7.221 -9.565 99 2HZ LYS 13 HZ2 LYS 13 0.872 8.025 -8.079 100 3HZ LYS 13 HZ3 LYS 13 -0.536 7.829 -8.994 101 H ARG 14 HN ARG 14 2.201 6.107 -4.157 102 HA ARG 14 HA ARG 14 3.816 7.940 -5.728 103 1HB ARG 14 HB2 ARG 14 1.249 8.089 -4.867 104 2HB ARG 14 HB1 ARG 14 2.059 9.013 -3.610 105 1HG ARG 14 HG2 ARG 14 2.771 10.648 -5.088 106 2HG ARG 14 HG1 ARG 14 2.590 9.595 -6.493 107 1HD ARG 14 HD2 ARG 14 0.180 9.696 -6.300 108 2HD ARG 14 HD1 ARG 14 0.311 10.647 -4.822 109 HE ARG 14 HE ARG 14 1.625 11.887 -7.036 110 1HH1 ARG 14 HH11 ARG 14 -1.480 11.394 -5.521 111 2HH1 ARG 14 HH12 ARG 14 -2.169 12.842 -6.176 112 1HH2 ARG 14 HH21 ARG 14 0.721 13.791 -7.897 113 2HH2 ARG 14 HH22 ARG 14 -0.919 14.203 -7.525 114 H ARG 15 HN ARG 15 4.070 6.364 -2.759 115 HA ARG 15 HA ARG 15 5.675 8.484 -1.550 116 1HB ARG 15 HB2 ARG 15 4.301 6.051 -0.542 117 2HB ARG 15 HB1 ARG 15 5.768 6.543 0.292 118 1HG ARG 15 HG2 ARG 15 3.376 8.311 -0.172 119 2HG ARG 15 HG1 ARG 15 3.723 7.441 1.324 120 1HD ARG 15 HD2 ARG 15 6.056 8.704 1.024 121 2HD ARG 15 HD1 ARG 15 5.017 9.845 0.171 122 HE ARG 15 HE ARG 15 4.086 10.451 2.176 123 1HH1 ARG 15 HH11 ARG 15 5.894 7.497 2.608 124 2HH1 ARG 15 HH12 ARG 15 5.749 7.514 4.333 125 1HH2 ARG 15 HH21 ARG 15 3.895 10.475 4.445 126 2HH2 ARG 15 HH22 ARG 15 4.615 9.204 5.377 127 H GLY 16 HN GLY 16 6.486 6.809 -3.908 128 1HA GLY 16 HA2 GLY 16 8.482 6.001 -4.697 129 2HA GLY 16 HA1 GLY 16 9.192 6.431 -3.151 130 H TYR 17 HN TYR 17 6.566 4.158 -3.890 131 HA TYR 17 HA TYR 17 8.292 1.973 -2.929 132 1HB TYR 17 HB2 TYR 17 5.443 2.557 -2.124 133 2HB TYR 17 HB1 TYR 17 6.214 0.998 -1.855 134 HD1 TYR 17 HD1 TYR 17 7.906 0.726 -0.150 135 HD2 TYR 17 HD2 TYR 17 6.153 4.534 -0.874 136 HE1 TYR 17 HE1 TYR 17 8.845 1.554 1.966 137 HE2 TYR 17 HE2 TYR 17 7.088 5.373 1.239 138 HH TYR 17 HH TYR 17 7.876 4.473 3.391 139 H ARG 18 HN ARG 18 6.981 -0.214 -3.342 140 HA ARG 18 HA ARG 18 6.329 -0.154 -6.198 141 1HB ARG 18 HB2 ARG 18 8.159 -1.634 -5.536 142 2HB ARG 18 HB1 ARG 18 7.095 -2.471 -4.415 143 1HG ARG 18 HG2 ARG 18 7.054 -3.901 -6.192 144 2HG ARG 18 HG1 ARG 18 5.660 -2.885 -6.564 145 1HD ARG 18 HD2 ARG 18 7.499 -1.456 -7.819 146 2HD ARG 18 HD1 ARG 18 8.330 -3.010 -7.866 147 HE ARG 18 HE ARG 18 6.799 -3.748 -9.404 148 1HH1 ARG 18 HH11 ARG 18 5.608 -0.818 -7.930 149 2HH1 ARG 18 HH12 ARG 18 4.279 -0.658 -9.028 150 1HH2 ARG 18 HH21 ARG 18 5.051 -3.538 -10.850 151 2HH2 ARG 18 HH22 ARG 18 3.962 -2.201 -10.684 152 H SER 19 HN SER 19 5.244 -1.921 -3.278 153 HA SER 19 HA SER 19 2.481 -1.451 -4.011 154 1HB SER 19 HB2 SER 19 3.664 -4.234 -4.017 155 2HB SER 19 HB1 SER 19 1.932 -3.912 -3.943 156 HG SER 19 HG SER 19 3.684 -3.705 -6.063 157 H GLY 20 HN GLY 20 1.106 -3.027 -2.397 158 1HA GLY 20 HA2 GLY 20 2.292 -3.391 0.183 159 2HA GLY 20 HA1 GLY 20 1.303 -1.941 0.116 160 H LYS 21 HN LYS 21 0.674 -3.925 1.862 161 HA LYS 21 HA LYS 21 -1.960 -4.684 0.925 162 1HB LYS 21 HB2 LYS 21 0.206 -6.574 1.010 163 2HB LYS 21 HB1 LYS 21 -1.013 -7.024 2.194 164 1HG LYS 21 HG2 LYS 21 -2.723 -6.882 0.391 165 2HG LYS 21 HG1 LYS 21 -1.412 -6.618 -0.760 166 1HD LYS 21 HD2 LYS 21 -1.657 -8.889 -0.939 167 2HD LYS 21 HD1 LYS 21 -0.452 -8.808 0.348 168 1HE LYS 21 HE2 LYS 21 -2.000 -9.323 2.001 169 2HE LYS 21 HE1 LYS 21 -3.371 -8.840 1.004 170 1HZ LYS 21 HZ1 LYS 21 -1.747 -11.082 0.071 171 2HZ LYS 21 HZ2 LYS 21 -3.414 -10.825 -0.064 172 3HZ LYS 21 HZ3 LYS 21 -2.757 -11.356 1.401 173 H CYS 22 HN CYS 22 -3.422 -5.134 2.608 174 HA CYS 22 HA CYS 22 -2.580 -4.065 5.185 175 1HB CYS 22 HB2 CYS 22 -4.856 -3.694 3.704 176 2HB CYS 22 HB1 CYS 22 -5.387 -4.889 4.882 177 H ILE 23 HN ILE 23 -1.500 -5.668 6.243 178 HA ILE 23 HA ILE 23 -3.052 -8.085 6.866 179 HB ILE 23 HB ILE 23 -0.047 -7.997 6.602 180 1HG1 ILE 23 HG12 ILE 23 -1.671 -9.570 4.689 181 2HG1 ILE 23 HG11 ILE 23 -1.731 -7.822 4.490 182 1HG2 ILE 23 HG21 ILE 23 -2.032 -10.172 7.172 183 2HG2 ILE 23 HG22 ILE 23 -0.594 -9.717 8.087 184 3HG2 ILE 23 HG23 ILE 23 -0.429 -10.526 6.528 185 1HD1 ILE 23 HD11 ILE 23 -0.018 -8.640 3.080 186 2HD1 ILE 23 HD12 ILE 23 0.685 -9.601 4.381 187 3HD1 ILE 23 HD13 ILE 23 0.771 -7.840 4.439 188 H ASN 24 HN ASN 24 -2.944 -8.849 8.970 189 HA ASN 24 HA ASN 24 -2.844 -8.656 11.238 190 1HB ASN 24 HB2 ASN 24 -0.109 -7.789 10.374 191 2HB ASN 24 HB1 ASN 24 -0.563 -7.757 12.074 192 1HD2 ASN 24 HD21 ASN 24 1.271 -9.444 10.288 193 2HD2 ASN 24 HD22 ASN 24 0.907 -11.064 10.764 194 H ASN 25 HN ASN 25 -4.115 -6.527 9.888 195 HA ASN 25 HA ASN 25 -5.025 -4.488 10.318 196 1HB ASN 25 HB2 ASN 25 -4.104 -5.452 12.900 197 2HB ASN 25 HB1 ASN 25 -4.064 -3.694 12.814 198 1HD2 ASN 25 HD21 ASN 25 -5.892 -6.145 13.791 199 2HD2 ASN 25 HD22 ASN 25 -7.471 -5.480 13.570 200 H ALA 26 HN ALA 26 -2.360 -4.767 9.099 201 HA ALA 26 HA ALA 26 -1.553 -1.979 9.369 202 1HB ALA 26 HB1 ALA 26 0.378 -4.269 9.723 203 2HB ALA 26 HB2 ALA 26 -0.105 -3.100 10.951 204 3HB ALA 26 HB3 ALA 26 0.832 -2.574 9.553 205 H CYS 27 HN CYS 27 -0.978 -1.088 7.464 206 HA CYS 27 HA CYS 27 -1.196 -2.716 5.089 207 1HB CYS 27 HB2 CYS 27 -2.036 -0.251 5.544 208 2HB CYS 27 HB1 CYS 27 -0.417 0.166 4.995 209 H LYS 28 HN LYS 28 0.640 -4.030 5.166 210 HA LYS 28 HA LYS 28 3.278 -2.947 5.402 211 1HB LYS 28 HB2 LYS 28 2.339 -5.392 5.823 212 2HB LYS 28 HB1 LYS 28 2.795 -5.607 4.139 213 1HG LYS 28 HG2 LYS 28 4.698 -6.293 5.212 214 2HG LYS 28 HG1 LYS 28 5.067 -4.592 4.919 215 1HD LYS 28 HD2 LYS 28 4.930 -4.044 7.119 216 2HD LYS 28 HD1 LYS 28 3.672 -5.236 7.448 217 1HE LYS 28 HE2 LYS 28 5.318 -6.359 8.483 218 2HE LYS 28 HE1 LYS 28 5.777 -6.843 6.851 219 1HZ LYS 28 HZ1 LYS 28 7.748 -5.999 7.484 220 2HZ LYS 28 HZ2 LYS 28 7.082 -4.997 8.673 221 3HZ LYS 28 HZ3 LYS 28 7.050 -4.519 7.051 222 H CYS 29 HN CYS 29 4.370 -1.906 3.876 223 HA CYS 29 HA CYS 29 3.588 -2.320 1.077 224 1HB CYS 29 HB2 CYS 29 4.251 0.035 2.635 225 2HB CYS 29 HB1 CYS 29 5.118 -0.033 1.108 226 H TYR 30 HN TYR 30 5.058 -2.916 -0.439 227 HA TYR 30 HA TYR 30 7.775 -3.476 0.520 228 1HB TYR 30 HB2 TYR 30 7.207 -4.777 -1.965 229 2HB TYR 30 HB1 TYR 30 7.560 -5.501 -0.404 230 HD1 TYR 30 HD1 TYR 30 5.564 -5.738 1.235 231 HD2 TYR 30 HD2 TYR 30 5.123 -5.061 -2.941 232 HE1 TYR 30 HE1 TYR 30 3.264 -6.604 1.343 233 HE2 TYR 30 HE2 TYR 30 2.823 -5.923 -2.845 234 HH TYR 30 HH TYR 30 1.053 -6.276 -1.261 235 HA PRO 31 HA PRO 31 9.113 -0.446 -2.461 236 1HB PRO 31 HB2 PRO 31 11.754 -0.686 -2.133 237 2HB PRO 31 HB1 PRO 31 10.731 -0.024 -0.852 238 1HG PRO 31 HG2 PRO 31 11.898 -2.763 -1.121 239 2HG PRO 31 HG1 PRO 31 11.746 -1.747 0.323 240 1HD PRO 31 HD2 PRO 31 10.026 -3.807 -0.344 241 2HD PRO 31 HD1 PRO 31 9.617 -2.457 0.732 242 H TYR 32 HN TYR 32 10.100 -0.311 -4.522 243 HA TYR 32 HA TYR 32 10.048 -2.746 -6.019 244 1HB TYR 32 HB2 TYR 32 10.558 -1.285 -7.934 245 2HB TYR 32 HB1 TYR 32 9.211 -0.674 -6.989 246 HD1 TYR 32 HD1 TYR 32 9.402 1.393 -5.746 247 HD2 TYR 32 HD2 TYR 32 12.710 -0.131 -7.946 248 HE1 TYR 32 HE1 TYR 32 10.537 3.563 -5.533 249 HE2 TYR 32 HE2 TYR 32 13.854 2.035 -7.738 250 HH TYR 32 HH TYR 32 12.516 4.771 -7.121 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 -12.025 5.013 10.805 2 2H ALA 1 HT2 ALA 1 -12.847 6.296 10.015 3 3H ALA 1 HT3 ALA 1 -11.144 6.362 10.221 4 HA ALA 1 HA ALA 1 -12.750 4.731 8.413 5 1HB ALA 1 HB1 ALA 1 -10.133 5.985 7.765 6 2HB ALA 1 HB2 ALA 1 -11.541 7.028 7.964 7 3HB ALA 1 HB3 ALA 1 -11.556 5.748 6.751 8 H VAL 2 HN VAL 2 -11.914 2.862 7.509 9 HA VAL 2 HA VAL 2 -9.784 1.588 9.080 10 HB VAL 2 HB VAL 2 -11.267 -0.085 7.163 11 1HG1 VAL 2 HG11 VAL 2 -9.644 -0.483 9.340 12 2HG1 VAL 2 HG12 VAL 2 -10.664 -1.703 8.578 13 3HG1 VAL 2 HG13 VAL 2 -11.251 -0.817 9.984 14 1HG2 VAL 2 HG21 VAL 2 -13.200 1.082 7.740 15 2HG2 VAL 2 HG22 VAL 2 -12.664 1.342 9.400 16 3HG2 VAL 2 HG23 VAL 2 -13.182 -0.262 8.881 17 H CYS 3 HN CYS 3 -8.432 -0.006 7.842 18 HA CYS 3 HA CYS 3 -7.061 1.366 5.765 19 1HB CYS 3 HB2 CYS 3 -5.880 -0.095 7.328 20 2HB CYS 3 HB1 CYS 3 -6.786 -1.485 6.740 21 H VAL 4 HN VAL 4 -7.472 1.384 3.661 22 HA VAL 4 HA VAL 4 -9.188 -0.737 2.550 23 HB VAL 4 HB VAL 4 -8.761 2.004 1.365 24 1HG1 VAL 4 HG11 VAL 4 -10.762 -0.189 0.850 25 2HG1 VAL 4 HG12 VAL 4 -9.522 0.411 -0.249 26 3HG1 VAL 4 HG13 VAL 4 -10.887 1.440 0.185 27 1HG2 VAL 4 HG21 VAL 4 -9.774 2.205 3.594 28 2HG2 VAL 4 HG22 VAL 4 -11.042 1.079 3.109 29 3HG2 VAL 4 HG23 VAL 4 -10.904 2.647 2.314 30 H TYR 5 HN TYR 5 -8.712 -1.558 0.464 31 HA TYR 5 HA TYR 5 -5.971 -2.012 -0.020 32 1HB TYR 5 HB2 TYR 5 -8.070 -3.421 -0.668 33 2HB TYR 5 HB1 TYR 5 -8.036 -2.442 -2.127 34 HD1 TYR 5 HD1 TYR 5 -5.562 -4.311 -0.035 35 HD2 TYR 5 HD2 TYR 5 -7.000 -3.412 -3.936 36 HE1 TYR 5 HE1 TYR 5 -3.867 -5.809 -0.998 37 HE2 TYR 5 HE2 TYR 5 -5.310 -4.908 -4.911 38 HH TYR 5 HH TYR 5 -3.604 -7.152 -3.146 39 H ARG 6 HN ARG 6 -8.371 -0.070 -1.778 40 HA ARG 6 HA ARG 6 -6.599 0.872 -3.751 41 1HB ARG 6 HB2 ARG 6 -9.251 0.948 -3.490 42 2HB ARG 6 HB1 ARG 6 -8.879 2.564 -2.917 43 1HG ARG 6 HG2 ARG 6 -8.989 3.149 -5.065 44 2HG ARG 6 HG1 ARG 6 -7.383 2.428 -5.189 45 1HD ARG 6 HD2 ARG 6 -9.323 0.353 -5.392 46 2HD ARG 6 HD1 ARG 6 -9.778 1.650 -6.496 47 HE ARG 6 HE ARG 6 -7.513 -0.104 -6.718 48 1HH1 ARG 6 HH11 ARG 6 -8.817 3.008 -7.609 49 2HH1 ARG 6 HH12 ARG 6 -7.819 3.163 -9.016 50 1HH2 ARG 6 HH21 ARG 6 -6.199 0.098 -8.567 51 2HH2 ARG 6 HH22 ARG 6 -6.333 1.511 -9.560 52 H THR 7 HN THR 7 -7.480 2.090 -0.570 53 HA THR 7 HA THR 7 -6.120 4.586 -0.872 54 HB THR 7 HB THR 7 -7.013 3.153 1.634 55 HG1 THR 7 HG1 THR 7 -8.288 5.094 0.014 56 1HG2 THR 7 HG21 THR 7 -7.051 5.383 2.655 57 2HG2 THR 7 HG22 THR 7 -6.287 6.039 1.207 58 3HG2 THR 7 HG23 THR 7 -5.425 4.869 2.206 59 H CYS 8 HN CYS 8 -5.386 1.464 0.566 60 HA CYS 8 HA CYS 8 -2.858 2.212 1.637 61 1HB CYS 8 HB2 CYS 8 -4.028 0.266 2.499 62 2HB CYS 8 HB1 CYS 8 -3.988 -0.502 0.916 63 H ASP 9 HN ASP 9 -3.926 0.809 -1.408 64 HA ASP 9 HA ASP 9 -1.366 0.251 -2.454 65 1HB ASP 9 HB2 ASP 9 -3.600 -0.647 -3.277 66 2HB ASP 9 HB1 ASP 9 -3.821 0.904 -4.083 67 H LYS 10 HN LYS 10 -3.581 3.000 -2.956 68 HA LYS 10 HA LYS 10 -1.892 4.432 -4.681 69 1HB LYS 10 HB2 LYS 10 -4.409 4.833 -3.426 70 2HB LYS 10 HB1 LYS 10 -3.434 6.271 -3.167 71 1HG LYS 10 HG2 LYS 10 -3.212 6.673 -5.461 72 2HG LYS 10 HG1 LYS 10 -3.739 5.042 -5.883 73 1HD LYS 10 HD2 LYS 10 -5.939 5.552 -5.662 74 2HD LYS 10 HD1 LYS 10 -5.652 6.691 -4.345 75 1HE LYS 10 HE2 LYS 10 -6.111 8.251 -5.894 76 2HE LYS 10 HE1 LYS 10 -4.451 7.969 -6.417 77 1HZ LYS 10 HZ1 LYS 10 -5.122 6.913 -8.272 78 2HZ LYS 10 HZ2 LYS 10 -6.542 7.801 -8.041 79 3HZ LYS 10 HZ3 LYS 10 -6.461 6.190 -7.532 80 H ASP 11 HN ASP 11 -2.353 4.718 -1.162 81 HA ASP 11 HA ASP 11 -0.536 6.790 -0.725 82 1HB ASP 11 HB2 ASP 11 -2.195 5.310 0.848 83 2HB ASP 11 HB1 ASP 11 -0.625 4.707 1.345 84 H CYS 12 HN CYS 12 -0.097 3.296 -0.802 85 HA CYS 12 HA CYS 12 2.630 3.262 -0.099 86 1HB CYS 12 HB2 CYS 12 1.017 1.302 -0.124 87 2HB CYS 12 HB1 CYS 12 1.261 1.237 -1.867 88 H LYS 13 HN LYS 13 1.087 3.069 -3.326 89 HA LYS 13 HA LYS 13 3.511 3.027 -4.755 90 1HB LYS 13 HB2 LYS 13 2.150 3.646 -6.720 91 2HB LYS 13 HB1 LYS 13 1.448 2.321 -5.803 92 1HG LYS 13 HG2 LYS 13 -0.377 3.645 -6.298 93 2HG LYS 13 HG1 LYS 13 0.042 4.145 -4.661 94 1HD LYS 13 HD2 LYS 13 0.311 6.243 -5.344 95 2HD LYS 13 HD1 LYS 13 1.526 5.729 -6.514 96 1HE LYS 13 HE2 LYS 13 -0.148 5.336 -8.178 97 2HE LYS 13 HE1 LYS 13 -1.443 5.591 -7.009 98 1HZ LYS 13 HZ1 LYS 13 -1.240 7.556 -8.289 99 2HZ LYS 13 HZ2 LYS 13 0.438 7.617 -8.083 100 3HZ LYS 13 HZ3 LYS 13 -0.586 7.908 -6.769 101 H ARG 14 HN ARG 14 1.752 5.621 -3.284 102 HA ARG 14 HA ARG 14 3.275 7.622 -4.761 103 1HB ARG 14 HB2 ARG 14 0.827 7.648 -3.090 104 2HB ARG 14 HB1 ARG 14 1.822 9.097 -3.044 105 1HG ARG 14 HG2 ARG 14 1.175 7.974 -5.708 106 2HG ARG 14 HG1 ARG 14 -0.125 8.760 -4.810 107 1HD ARG 14 HD2 ARG 14 0.650 10.682 -5.634 108 2HD ARG 14 HD1 ARG 14 2.003 10.494 -4.519 109 HE ARG 14 HE ARG 14 2.798 9.075 -6.671 110 1HH1 ARG 14 HH11 ARG 14 1.568 12.320 -6.298 111 2HH1 ARG 14 HH12 ARG 14 2.447 12.943 -7.653 112 1HH2 ARG 14 HH21 ARG 14 3.956 9.894 -8.453 113 2HH2 ARG 14 HH22 ARG 14 3.802 11.566 -8.877 114 H ARG 15 HN ARG 15 4.071 5.711 -2.321 115 HA ARG 15 HA ARG 15 5.378 7.836 -0.771 116 1HB ARG 15 HB2 ARG 15 3.782 5.910 0.227 117 2HB ARG 15 HB1 ARG 15 5.327 5.079 0.306 118 1HG ARG 15 HG2 ARG 15 5.688 6.106 2.233 119 2HG ARG 15 HG1 ARG 15 5.836 7.614 1.331 120 1HD ARG 15 HD2 ARG 15 3.085 7.156 1.599 121 2HD ARG 15 HD1 ARG 15 3.786 6.770 3.170 122 HE ARG 15 HE ARG 15 3.575 9.364 1.952 123 1HH1 ARG 15 HH11 ARG 15 5.330 7.429 4.267 124 2HH1 ARG 15 HH12 ARG 15 5.867 8.793 5.188 125 1HH2 ARG 15 HH21 ARG 15 4.282 11.160 3.161 126 2HH2 ARG 15 HH22 ARG 15 5.272 10.912 4.561 127 H GLY 16 HN GLY 16 6.286 6.682 -3.327 128 1HA GLY 16 HA2 GLY 16 8.308 6.146 -4.266 129 2HA GLY 16 HA1 GLY 16 9.023 6.394 -2.682 130 H TYR 17 HN TYR 17 6.694 4.029 -3.990 131 HA TYR 17 HA TYR 17 8.579 1.892 -3.280 132 1HB TYR 17 HB2 TYR 17 5.671 2.047 -2.479 133 2HB TYR 17 HB1 TYR 17 6.605 0.555 -2.436 134 HD1 TYR 17 HD1 TYR 17 8.219 0.154 -0.704 135 HD2 TYR 17 HD2 TYR 17 6.212 3.894 -0.948 136 HE1 TYR 17 HE1 TYR 17 9.027 0.727 1.547 137 HE2 TYR 17 HE2 TYR 17 7.014 4.481 1.302 138 HH TYR 17 HH TYR 17 9.469 2.827 2.866 139 H ARG 18 HN ARG 18 7.580 -0.301 -4.118 140 HA ARG 18 HA ARG 18 6.681 0.209 -6.874 141 1HB ARG 18 HB2 ARG 18 7.792 -1.857 -7.518 142 2HB ARG 18 HB1 ARG 18 8.926 -0.776 -6.723 143 1HG ARG 18 HG2 ARG 18 8.938 -2.069 -4.757 144 2HG ARG 18 HG1 ARG 18 7.520 -2.989 -5.262 145 1HD ARG 18 HD2 ARG 18 10.272 -3.073 -6.489 146 2HD ARG 18 HD1 ARG 18 9.500 -4.342 -5.543 147 HE ARG 18 HE ARG 18 8.991 -3.667 -8.316 148 1HH1 ARG 18 HH11 ARG 18 7.910 -5.411 -5.489 149 2HH1 ARG 18 HH12 ARG 18 6.932 -6.516 -6.395 150 1HH2 ARG 18 HH21 ARG 18 7.703 -5.119 -9.502 151 2HH2 ARG 18 HH22 ARG 18 6.814 -6.351 -8.670 152 H SER 19 HN SER 19 6.030 -1.538 -3.932 153 HA SER 19 HA SER 19 3.463 -2.350 -5.036 154 1HB SER 19 HB2 SER 19 4.775 -4.517 -3.517 155 2HB SER 19 HB1 SER 19 3.735 -4.601 -4.938 156 HG SER 19 HG SER 19 5.442 -4.640 -6.158 157 H GLY 20 HN GLY 20 2.001 -3.221 -3.341 158 1HA GLY 20 HA2 GLY 20 2.698 -2.682 -0.585 159 2HA GLY 20 HA1 GLY 20 1.550 -1.545 -1.275 160 H LYS 21 HN LYS 21 0.967 -3.196 0.915 161 HA LYS 21 HA LYS 21 -1.436 -4.422 -0.029 162 1HB LYS 21 HB2 LYS 21 0.813 -6.066 -0.039 163 2HB LYS 21 HB1 LYS 21 -0.023 -6.490 1.448 164 1HG LYS 21 HG2 LYS 21 -1.557 -6.308 -1.104 165 2HG LYS 21 HG1 LYS 21 -0.572 -7.733 -0.768 166 1HD LYS 21 HD2 LYS 21 -1.843 -7.556 1.569 167 2HD LYS 21 HD1 LYS 21 -3.053 -6.778 0.546 168 1HE LYS 21 HE2 LYS 21 -1.855 -9.335 -0.385 169 2HE LYS 21 HE1 LYS 21 -3.025 -9.397 0.934 170 1HZ LYS 21 HZ1 LYS 21 -4.352 -7.855 -0.722 171 2HZ LYS 21 HZ2 LYS 21 -4.428 -9.542 -0.824 172 3HZ LYS 21 HZ3 LYS 21 -3.418 -8.676 -1.870 173 H CYS 22 HN CYS 22 -2.950 -4.342 1.515 174 HA CYS 22 HA CYS 22 -2.150 -3.426 4.158 175 1HB CYS 22 HB2 CYS 22 -3.957 -2.228 3.051 176 2HB CYS 22 HB1 CYS 22 -4.879 -3.718 2.885 177 H ILE 23 HN ILE 23 -1.726 -4.874 5.675 178 HA ILE 23 HA ILE 23 -3.446 -7.244 5.881 179 HB ILE 23 HB ILE 23 -0.478 -7.269 6.425 180 1HG1 ILE 23 HG12 ILE 23 -0.968 -6.972 4.013 181 2HG1 ILE 23 HG11 ILE 23 -0.227 -8.531 4.360 182 1HG2 ILE 23 HG21 ILE 23 -1.200 -9.011 7.677 183 2HG2 ILE 23 HG22 ILE 23 -1.159 -9.838 6.121 184 3HG2 ILE 23 HG23 ILE 23 -2.684 -9.210 6.745 185 1HD1 ILE 23 HD11 ILE 23 -1.863 -9.345 3.081 186 2HD1 ILE 23 HD12 ILE 23 -2.856 -7.897 3.259 187 3HD1 ILE 23 HD13 ILE 23 -2.872 -9.137 4.513 188 H ASN 24 HN ASN 24 -4.106 -7.780 7.911 189 HA ASN 24 HA ASN 24 -4.685 -7.381 10.086 190 1HB ASN 24 HB2 ASN 24 -1.701 -6.989 10.308 191 2HB ASN 24 HB1 ASN 24 -2.792 -7.300 11.652 192 1HD2 ASN 24 HD21 ASN 24 -1.893 -9.213 12.275 193 2HD2 ASN 24 HD22 ASN 24 -1.952 -10.650 11.318 194 H ASN 25 HN ASN 25 -5.440 -5.276 8.867 195 HA ASN 25 HA ASN 25 -5.769 -3.017 8.853 196 1HB ASN 25 HB2 ASN 25 -6.132 -2.043 11.037 197 2HB ASN 25 HB1 ASN 25 -6.714 -3.704 11.047 198 1HD2 ASN 25 HD21 ASN 25 -5.997 -5.028 12.573 199 2HD2 ASN 25 HD22 ASN 25 -4.694 -4.695 13.657 200 H ALA 26 HN ALA 26 -3.028 -3.880 8.337 201 HA ALA 26 HA ALA 26 -1.683 -1.360 9.026 202 1HB ALA 26 HB1 ALA 26 0.022 -3.772 8.868 203 2HB ALA 26 HB2 ALA 26 -0.990 -3.603 10.303 204 3HB ALA 26 HB3 ALA 26 0.169 -2.341 9.887 205 H CYS 27 HN CYS 27 -1.474 -0.348 7.137 206 HA CYS 27 HA CYS 27 -1.374 -1.655 4.625 207 1HB CYS 27 HB2 CYS 27 -2.225 0.643 4.921 208 2HB CYS 27 HB1 CYS 27 -0.601 1.184 5.331 209 H LYS 28 HN LYS 28 0.288 -2.954 4.139 210 HA LYS 28 HA LYS 28 2.994 -2.254 4.940 211 1HB LYS 28 HB2 LYS 28 1.742 -4.645 4.788 212 2HB LYS 28 HB1 LYS 28 2.532 -4.616 3.217 213 1HG LYS 28 HG2 LYS 28 4.648 -4.639 4.131 214 2HG LYS 28 HG1 LYS 28 4.100 -3.987 5.677 215 1HD LYS 28 HD2 LYS 28 2.844 -6.161 5.997 216 2HD LYS 28 HD1 LYS 28 3.738 -6.776 4.605 217 1HE LYS 28 HE2 LYS 28 5.841 -6.373 5.747 218 2HE LYS 28 HE1 LYS 28 4.985 -5.670 7.119 219 1HZ LYS 28 HZ1 LYS 28 5.633 -7.968 7.530 220 2HZ LYS 28 HZ2 LYS 28 4.731 -8.482 6.196 221 3HZ LYS 28 HZ3 LYS 28 3.949 -7.803 7.533 222 H CYS 29 HN CYS 29 4.768 -2.368 3.354 223 HA CYS 29 HA CYS 29 3.968 -1.655 0.633 224 1HB CYS 29 HB2 CYS 29 5.465 0.002 2.551 225 2HB CYS 29 HB1 CYS 29 6.013 0.033 0.885 226 H TYR 30 HN TYR 30 5.796 -1.721 -0.920 227 HA TYR 30 HA TYR 30 8.031 -3.399 -0.059 228 1HB TYR 30 HB2 TYR 30 6.390 -4.047 -2.512 229 2HB TYR 30 HB1 TYR 30 7.736 -4.973 -1.857 230 HD1 TYR 30 HD1 TYR 30 7.319 -6.742 -0.406 231 HD2 TYR 30 HD2 TYR 30 4.315 -3.785 -0.976 232 HE1 TYR 30 HE1 TYR 30 5.751 -8.086 0.929 233 HE2 TYR 30 HE2 TYR 30 2.739 -5.119 0.358 234 HH TYR 30 HH TYR 30 3.629 -7.566 2.352 235 HA PRO 31 HA PRO 31 9.809 -0.223 -2.727 236 1HB PRO 31 HB2 PRO 31 12.322 -0.396 -1.815 237 2HB PRO 31 HB1 PRO 31 11.044 0.367 -0.860 238 1HG PRO 31 HG2 PRO 31 12.206 -2.380 -0.618 239 2HG PRO 31 HG1 PRO 31 11.779 -1.229 0.661 240 1HD PRO 31 HD2 PRO 31 10.192 -3.335 -0.105 241 2HD PRO 31 HD1 PRO 31 9.577 -1.851 0.649 242 H TYR 32 HN TYR 32 12.216 -0.327 -3.834 243 HA TYR 32 HA TYR 32 12.022 -2.604 -5.631 244 1HB TYR 32 HB2 TYR 32 13.234 0.093 -5.731 245 2HB TYR 32 HB1 TYR 32 14.097 -1.165 -6.609 246 HD1 TYR 32 HD1 TYR 32 11.158 0.957 -6.527 247 HD2 TYR 32 HD2 TYR 32 12.966 -2.374 -8.460 248 HE1 TYR 32 HE1 TYR 32 9.586 1.200 -8.402 249 HE2 TYR 32 HE2 TYR 32 11.400 -2.140 -10.341 250 HH TYR 32 HH TYR 32 9.503 0.592 -10.826 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 -14.138 4.500 9.614 2 2H ALA 1 HT2 ALA 1 -12.654 4.102 10.379 3 3H ALA 1 HT3 ALA 1 -13.750 2.861 9.927 4 HA ALA 1 HA ALA 1 -13.468 3.462 7.625 5 1HB ALA 1 HB1 ALA 1 -11.443 4.903 7.130 6 2HB ALA 1 HB2 ALA 1 -11.521 5.419 8.815 7 3HB ALA 1 HB3 ALA 1 -12.874 5.740 7.731 8 H VAL 2 HN VAL 2 -12.957 1.302 7.581 9 HA VAL 2 HA VAL 2 -10.728 0.132 8.818 10 HB VAL 2 HB VAL 2 -11.155 -1.709 7.106 11 1HG1 VAL 2 HG11 VAL 2 -12.197 -1.283 9.499 12 2HG1 VAL 2 HG12 VAL 2 -12.713 -2.631 8.485 13 3HG1 VAL 2 HG13 VAL 2 -13.679 -1.157 8.552 14 1HG2 VAL 2 HG21 VAL 2 -13.756 -0.370 6.571 15 2HG2 VAL 2 HG22 VAL 2 -12.915 -1.609 5.638 16 3HG2 VAL 2 HG23 VAL 2 -12.350 0.062 5.596 17 H CYS 3 HN CYS 3 -8.948 -0.969 7.637 18 HA CYS 3 HA CYS 3 -7.334 0.839 6.275 19 1HB CYS 3 HB2 CYS 3 -6.348 -1.035 7.396 20 2HB CYS 3 HB1 CYS 3 -7.249 -2.177 6.409 21 H VAL 4 HN VAL 4 -7.482 1.637 4.296 22 HA VAL 4 HA VAL 4 -9.025 0.186 2.273 23 HB VAL 4 HB VAL 4 -7.947 2.990 2.022 24 1HG1 VAL 4 HG11 VAL 4 -9.562 3.255 0.304 25 2HG1 VAL 4 HG12 VAL 4 -10.352 1.734 0.719 26 3HG1 VAL 4 HG13 VAL 4 -8.744 1.723 -0.005 27 1HG2 VAL 4 HG21 VAL 4 -10.694 2.242 3.009 28 2HG2 VAL 4 HG22 VAL 4 -9.997 3.857 2.881 29 3HG2 VAL 4 HG23 VAL 4 -9.367 2.716 4.069 30 H TYR 5 HN TYR 5 -7.841 -1.185 1.111 31 HA TYR 5 HA TYR 5 -5.076 -1.091 0.752 32 1HB TYR 5 HB2 TYR 5 -6.682 -3.050 0.397 33 2HB TYR 5 HB1 TYR 5 -6.945 -2.374 -1.202 34 HD1 TYR 5 HD1 TYR 5 -4.977 -4.591 0.696 35 HD2 TYR 5 HD2 TYR 5 -4.776 -1.915 -2.605 36 HE1 TYR 5 HE1 TYR 5 -2.978 -5.764 -0.125 37 HE2 TYR 5 HE2 TYR 5 -2.777 -3.081 -3.436 38 HH TYR 5 HH TYR 5 -1.805 -5.480 -3.179 39 H ARG 6 HN ARG 6 -7.688 0.169 -1.257 40 HA ARG 6 HA ARG 6 -6.084 0.877 -3.464 41 1HB ARG 6 HB2 ARG 6 -8.717 0.739 -3.107 42 2HB ARG 6 HB1 ARG 6 -8.507 2.463 -2.851 43 1HG ARG 6 HG2 ARG 6 -8.958 2.349 -5.106 44 2HG ARG 6 HG1 ARG 6 -7.194 2.398 -5.076 45 1HD ARG 6 HD2 ARG 6 -7.256 0.564 -6.343 46 2HD ARG 6 HD1 ARG 6 -7.765 -0.295 -4.890 47 HE ARG 6 HE ARG 6 -9.873 -0.473 -5.770 48 1HH1 ARG 6 HH11 ARG 6 -8.073 1.890 -7.601 49 2HH1 ARG 6 HH12 ARG 6 -9.280 2.039 -8.833 50 1HH2 ARG 6 HH21 ARG 6 -11.462 -0.279 -7.390 51 2HH2 ARG 6 HH22 ARG 6 -11.205 0.808 -8.713 52 H THR 7 HN THR 7 -7.099 2.678 -0.590 53 HA THR 7 HA THR 7 -5.917 5.135 -1.448 54 HB THR 7 HB THR 7 -6.631 4.318 1.370 55 HG1 THR 7 HG1 THR 7 -8.662 5.161 0.934 56 1HG2 THR 7 HG21 THR 7 -5.536 6.336 1.584 57 2HG2 THR 7 HG22 THR 7 -7.226 6.822 1.440 58 3HG2 THR 7 HG23 THR 7 -6.149 6.949 0.048 59 H CYS 8 HN CYS 8 -4.975 2.478 0.648 60 HA CYS 8 HA CYS 8 -2.528 3.642 1.521 61 1HB CYS 8 HB2 CYS 8 -3.815 1.704 2.598 62 2HB CYS 8 HB1 CYS 8 -3.086 0.682 1.364 63 H ASP 9 HN ASP 9 -3.448 1.533 -1.134 64 HA ASP 9 HA ASP 9 -0.846 0.924 -2.034 65 1HB ASP 9 HB2 ASP 9 -2.885 -0.343 -2.687 66 2HB ASP 9 HB1 ASP 9 -3.400 1.036 -3.653 67 H LYS 10 HN LYS 10 -3.223 3.329 -3.155 68 HA LYS 10 HA LYS 10 -1.609 4.492 -5.127 69 1HB LYS 10 HB2 LYS 10 -4.164 4.957 -3.984 70 2HB LYS 10 HB1 LYS 10 -3.300 6.485 -4.011 71 1HG LYS 10 HG2 LYS 10 -3.332 6.622 -6.262 72 2HG LYS 10 HG1 LYS 10 -3.178 4.877 -6.479 73 1HD LYS 10 HD2 LYS 10 -5.336 5.197 -7.189 74 2HD LYS 10 HD1 LYS 10 -5.609 4.866 -5.477 75 1HE LYS 10 HE2 LYS 10 -5.111 7.686 -6.102 76 2HE LYS 10 HE1 LYS 10 -6.573 7.028 -6.836 77 1HZ LYS 10 HZ1 LYS 10 -7.381 7.673 -4.825 78 2HZ LYS 10 HZ2 LYS 10 -5.923 7.411 -4.008 79 3HZ LYS 10 HZ3 LYS 10 -6.908 6.100 -4.420 80 H ASP 11 HN ASP 11 -2.216 5.568 -1.784 81 HA ASP 11 HA ASP 11 -0.562 7.788 -1.755 82 1HB ASP 11 HB2 ASP 11 -2.143 6.568 0.072 83 2HB ASP 11 HB1 ASP 11 -0.557 6.154 0.696 84 H CYS 12 HN CYS 12 0.210 4.428 -0.934 85 HA CYS 12 HA CYS 12 2.952 4.934 -0.395 86 1HB CYS 12 HB2 CYS 12 1.507 2.930 0.332 87 2HB CYS 12 HB1 CYS 12 1.853 2.274 -1.264 88 H LYS 13 HN LYS 13 1.142 4.085 -3.278 89 HA LYS 13 HA LYS 13 3.234 3.279 -4.941 90 1HB LYS 13 HB2 LYS 13 0.500 3.806 -5.246 91 2HB LYS 13 HB1 LYS 13 1.294 4.892 -6.374 92 1HG LYS 13 HG2 LYS 13 1.263 3.162 -7.775 93 2HG LYS 13 HG1 LYS 13 2.618 2.548 -6.825 94 1HD LYS 13 HD2 LYS 13 1.400 0.868 -5.983 95 2HD LYS 13 HD1 LYS 13 0.021 1.919 -5.655 96 1HE LYS 13 HE2 LYS 13 -0.880 0.534 -7.242 97 2HE LYS 13 HE1 LYS 13 -0.259 1.829 -8.264 98 1HZ LYS 13 HZ1 LYS 13 0.249 -0.651 -8.813 99 2HZ LYS 13 HZ2 LYS 13 1.478 -0.460 -7.666 100 3HZ LYS 13 HZ3 LYS 13 1.440 0.531 -9.036 101 H ARG 14 HN ARG 14 1.910 6.519 -4.350 102 HA ARG 14 HA ARG 14 3.940 7.760 -5.994 103 1HB ARG 14 HB2 ARG 14 2.874 9.862 -5.388 104 2HB ARG 14 HB1 ARG 14 1.664 8.688 -5.887 105 1HG ARG 14 HG2 ARG 14 0.709 8.599 -3.846 106 2HG ARG 14 HG1 ARG 14 2.243 8.805 -2.998 107 1HD ARG 14 HD2 ARG 14 1.303 10.826 -2.537 108 2HD ARG 14 HD1 ARG 14 2.081 11.223 -4.068 109 HE ARG 14 HE ARG 14 0.012 11.456 -5.026 110 1HH1 ARG 14 HH11 ARG 14 -0.332 9.836 -1.954 111 2HH1 ARG 14 HH12 ARG 14 -2.061 9.928 -1.958 112 1HH2 ARG 14 HH21 ARG 14 -2.262 11.580 -5.031 113 2HH2 ARG 14 HH22 ARG 14 -3.157 10.917 -3.705 114 H ARG 15 HN ARG 15 4.158 6.378 -3.070 115 HA ARG 15 HA ARG 15 5.788 8.472 -1.848 116 1HB ARG 15 HB2 ARG 15 3.958 6.950 -0.672 117 2HB ARG 15 HB1 ARG 15 5.320 5.851 -0.512 118 1HG ARG 15 HG2 ARG 15 6.137 7.006 1.192 119 2HG ARG 15 HG1 ARG 15 6.086 8.509 0.269 120 1HD ARG 15 HD2 ARG 15 3.443 7.655 1.104 121 2HD ARG 15 HD1 ARG 15 4.533 7.858 2.475 122 HE ARG 15 HE ARG 15 4.693 10.066 0.693 123 1HH1 ARG 15 HH11 ARG 15 2.709 8.663 3.198 124 2HH1 ARG 15 HH12 ARG 15 2.027 10.180 3.681 125 1HH2 ARG 15 HH21 ARG 15 3.797 12.062 1.327 126 2HH2 ARG 15 HH22 ARG 15 2.644 12.110 2.618 127 H GLY 16 HN GLY 16 6.441 6.459 -4.159 128 1HA GLY 16 HA2 GLY 16 8.481 5.721 -4.944 129 2HA GLY 16 HA1 GLY 16 9.186 6.152 -3.398 130 H TYR 17 HN TYR 17 6.612 3.868 -4.328 131 HA TYR 17 HA TYR 17 8.252 1.696 -3.220 132 1HB TYR 17 HB2 TYR 17 5.328 2.203 -2.636 133 2HB TYR 17 HB1 TYR 17 6.170 0.710 -2.235 134 HD1 TYR 17 HD1 TYR 17 7.231 0.505 -0.175 135 HD2 TYR 17 HD2 TYR 17 6.322 4.388 -1.653 136 HE1 TYR 17 HE1 TYR 17 7.952 1.481 1.964 137 HE2 TYR 17 HE2 TYR 17 7.041 5.376 0.481 138 HH TYR 17 HH TYR 17 8.837 3.749 2.747 139 H ARG 18 HN ARG 18 7.273 -0.499 -3.831 140 HA ARG 18 HA ARG 18 6.486 -0.357 -6.658 141 1HB ARG 18 HB2 ARG 18 8.605 -1.641 -5.595 142 2HB ARG 18 HB1 ARG 18 7.410 -2.927 -5.516 143 1HG ARG 18 HG2 ARG 18 8.011 -1.388 -8.026 144 2HG ARG 18 HG1 ARG 18 8.830 -2.886 -7.580 145 1HD ARG 18 HD2 ARG 18 6.307 -3.696 -7.289 146 2HD ARG 18 HD1 ARG 18 6.046 -2.435 -8.492 147 HE ARG 18 HE ARG 18 8.161 -3.972 -9.401 148 1HH1 ARG 18 HH11 ARG 18 4.781 -4.435 -8.666 149 2HH1 ARG 18 HH12 ARG 18 4.572 -5.698 -9.832 150 1HH2 ARG 18 HH21 ARG 18 7.889 -5.633 -10.935 151 2HH2 ARG 18 HH22 ARG 18 6.337 -6.379 -11.120 152 H SER 19 HN SER 19 5.928 -2.400 -3.777 153 HA SER 19 HA SER 19 3.100 -2.439 -4.268 154 1HB SER 19 HB2 SER 19 4.002 -4.144 -5.898 155 2HB SER 19 HB1 SER 19 4.547 -5.083 -4.509 156 HG SER 19 HG SER 19 2.535 -5.831 -5.076 157 H GLY 20 HN GLY 20 1.907 -3.545 -2.585 158 1HA GLY 20 HA2 GLY 20 3.418 -4.509 -0.295 159 2HA GLY 20 HA1 GLY 20 2.540 -3.009 -0.047 160 H LYS 21 HN LYS 21 1.467 -4.266 1.635 161 HA LYS 21 HA LYS 21 -0.984 -5.414 0.610 162 1HB LYS 21 HB2 LYS 21 -0.833 -7.441 1.962 163 2HB LYS 21 HB1 LYS 21 0.472 -7.367 0.784 164 1HG LYS 21 HG2 LYS 21 1.603 -6.153 2.922 165 2HG LYS 21 HG1 LYS 21 0.562 -7.342 3.702 166 1HD LYS 21 HD2 LYS 21 1.779 -8.706 1.589 167 2HD LYS 21 HD1 LYS 21 3.059 -7.721 2.299 168 1HE LYS 21 HE2 LYS 21 1.278 -9.232 4.136 169 2HE LYS 21 HE1 LYS 21 2.473 -10.141 3.211 170 1HZ LYS 21 HZ1 LYS 21 3.248 -7.742 4.747 171 2HZ LYS 21 HZ2 LYS 21 4.219 -9.023 4.222 172 3HZ LYS 21 HZ3 LYS 21 3.134 -9.254 5.498 173 H CYS 22 HN CYS 22 -2.710 -5.103 1.946 174 HA CYS 22 HA CYS 22 -2.188 -3.507 4.341 175 1HB CYS 22 HB2 CYS 22 -3.743 -2.316 3.137 176 2HB CYS 22 HB1 CYS 22 -4.457 -3.757 2.426 177 H ILE 23 HN ILE 23 -1.806 -4.853 6.018 178 HA ILE 23 HA ILE 23 -3.114 -7.351 6.382 179 HB ILE 23 HB ILE 23 -1.697 -5.730 8.500 180 1HG1 ILE 23 HG12 ILE 23 -0.287 -6.045 6.480 181 2HG1 ILE 23 HG11 ILE 23 0.337 -6.910 7.880 182 1HG2 ILE 23 HG21 ILE 23 -2.681 -7.432 9.665 183 2HG2 ILE 23 HG22 ILE 23 -1.178 -8.220 9.185 184 3HG2 ILE 23 HG23 ILE 23 -2.663 -8.534 8.289 185 1HD1 ILE 23 HD11 ILE 23 -0.266 -8.981 7.017 186 2HD1 ILE 23 HD12 ILE 23 0.333 -8.095 5.615 187 3HD1 ILE 23 HD13 ILE 23 -1.403 -8.277 5.867 188 H ASN 24 HN ASN 24 -4.556 -7.926 8.108 189 HA ASN 24 HA ASN 24 -6.903 -6.620 8.243 190 1HB ASN 24 HB2 ASN 24 -5.598 -8.286 10.383 191 2HB ASN 24 HB1 ASN 24 -7.273 -7.753 10.475 192 1HD2 ASN 24 HD21 ASN 24 -8.775 -8.567 8.989 193 2HD2 ASN 24 HD22 ASN 24 -8.478 -10.026 8.112 194 H ASN 25 HN ASN 25 -4.069 -5.765 9.993 195 HA ASN 25 HA ASN 25 -5.311 -3.291 10.827 196 1HB ASN 25 HB2 ASN 25 -5.255 -5.416 12.634 197 2HB ASN 25 HB1 ASN 25 -3.899 -4.399 13.110 198 1HD2 ASN 25 HD21 ASN 25 -7.173 -4.899 13.394 199 2HD2 ASN 25 HD22 ASN 25 -7.624 -3.366 14.051 200 H ALA 26 HN ALA 26 -3.223 -3.899 8.969 201 HA ALA 26 HA ALA 26 -1.290 -2.013 9.803 202 1HB ALA 26 HB1 ALA 26 0.606 -3.886 9.617 203 2HB ALA 26 HB2 ALA 26 -0.688 -4.859 10.317 204 3HB ALA 26 HB3 ALA 26 -0.126 -3.409 11.149 205 H CYS 27 HN CYS 27 -1.047 -1.020 7.912 206 HA CYS 27 HA CYS 27 -0.898 -2.596 5.452 207 1HB CYS 27 HB2 CYS 27 -2.405 -0.527 5.745 208 2HB CYS 27 HB1 CYS 27 -0.922 0.412 5.616 209 H LYS 28 HN LYS 28 0.983 -2.987 4.458 210 HA LYS 28 HA LYS 28 3.222 -1.148 4.854 211 1HB LYS 28 HB2 LYS 28 3.067 -3.414 6.378 212 2HB LYS 28 HB1 LYS 28 4.023 -3.971 5.012 213 1HG LYS 28 HG2 LYS 28 5.744 -3.195 6.216 214 2HG LYS 28 HG1 LYS 28 5.258 -1.632 5.556 215 1HD LYS 28 HD2 LYS 28 3.742 -1.427 7.594 216 2HD LYS 28 HD1 LYS 28 4.637 -2.794 8.259 217 1HE LYS 28 HE2 LYS 28 6.719 -1.324 7.627 218 2HE LYS 28 HE1 LYS 28 5.548 -0.009 7.708 219 1HZ LYS 28 HZ1 LYS 28 5.005 -1.288 9.973 220 2HZ LYS 28 HZ2 LYS 28 6.131 -0.030 9.866 221 3HZ LYS 28 HZ3 LYS 28 6.656 -1.638 9.841 222 H CYS 29 HN CYS 29 4.522 -0.930 3.116 223 HA CYS 29 HA CYS 29 4.192 -2.811 0.885 224 1HB CYS 29 HB2 CYS 29 4.743 -0.359 -0.302 225 2HB CYS 29 HB1 CYS 29 3.195 -1.188 -0.293 226 H TYR 30 HN TYR 30 5.965 -2.535 -0.767 227 HA TYR 30 HA TYR 30 8.487 -1.632 0.405 228 1HB TYR 30 HB2 TYR 30 8.452 -4.298 -0.946 229 2HB TYR 30 HB1 TYR 30 9.571 -3.671 0.258 230 HD1 TYR 30 HD1 TYR 30 8.831 -3.536 2.656 231 HD2 TYR 30 HD2 TYR 30 6.555 -5.558 -0.315 232 HE1 TYR 30 HE1 TYR 30 7.597 -4.725 4.419 233 HE2 TYR 30 HE2 TYR 30 5.315 -6.753 1.439 234 HH TYR 30 HH TYR 30 6.308 -6.835 4.660 235 HA PRO 31 HA PRO 31 9.237 -0.301 -3.744 236 1HB PRO 31 HB2 PRO 31 11.884 0.113 -3.664 237 2HB PRO 31 HB1 PRO 31 10.763 1.113 -2.731 238 1HG PRO 31 HG2 PRO 31 12.462 -1.178 -1.825 239 2HG PRO 31 HG1 PRO 31 12.153 0.373 -1.022 240 1HD PRO 31 HD2 PRO 31 10.868 -1.967 -0.385 241 2HD PRO 31 HD1 PRO 31 10.182 -0.354 -0.115 242 H TYR 32 HN TYR 32 11.163 -0.688 -5.469 243 HA TYR 32 HA TYR 32 10.816 -3.309 -6.412 244 1HB TYR 32 HB2 TYR 32 11.897 -0.912 -7.396 245 2HB TYR 32 HB1 TYR 32 13.206 -2.085 -7.491 246 HD1 TYR 32 HD1 TYR 32 11.987 -4.559 -8.214 247 HD2 TYR 32 HD2 TYR 32 10.938 -0.633 -9.473 248 HE1 TYR 32 HE1 TYR 32 11.008 -5.486 -10.271 249 HE2 TYR 32 HE2 TYR 32 9.956 -1.549 -11.533 250 HH TYR 32 HH TYR 32 10.551 -4.558 -12.673 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 -13.532 5.149 9.796 2 2H ALA 1 HT2 ALA 1 -14.400 6.150 8.704 3 3H ALA 1 HT3 ALA 1 -12.689 6.254 8.793 4 HA ALA 1 HA ALA 1 -14.351 4.084 7.733 5 1HB ALA 1 HB1 ALA 1 -12.936 4.450 5.738 6 2HB ALA 1 HB2 ALA 1 -12.165 5.802 6.567 7 3HB ALA 1 HB3 ALA 1 -13.885 5.869 6.182 8 H VAL 2 HN VAL 2 -12.708 2.529 6.514 9 HA VAL 2 HA VAL 2 -10.738 1.672 8.535 10 HB VAL 2 HB VAL 2 -11.629 -0.343 6.577 11 1HG1 VAL 2 HG11 VAL 2 -10.268 -0.310 8.973 12 2HG1 VAL 2 HG12 VAL 2 -10.898 -1.738 8.153 13 3HG1 VAL 2 HG13 VAL 2 -11.852 -0.951 9.411 14 1HG2 VAL 2 HG21 VAL 2 -13.802 0.425 6.830 15 2HG2 VAL 2 HG22 VAL 2 -13.538 0.931 8.499 16 3HG2 VAL 2 HG23 VAL 2 -13.678 -0.783 8.109 17 H CYS 3 HN CYS 3 -8.972 0.288 7.599 18 HA CYS 3 HA CYS 3 -7.485 1.774 5.748 19 1HB CYS 3 HB2 CYS 3 -6.368 0.377 7.356 20 2HB CYS 3 HB1 CYS 3 -7.164 -1.063 6.734 21 H VAL 4 HN VAL 4 -7.076 1.553 3.596 22 HA VAL 4 HA VAL 4 -8.703 -0.424 2.133 23 HB VAL 4 HB VAL 4 -7.902 2.307 1.129 24 1HG1 VAL 4 HG11 VAL 4 -8.268 0.551 -0.582 25 2HG1 VAL 4 HG12 VAL 4 -9.427 1.877 -0.685 26 3HG1 VAL 4 HG13 VAL 4 -9.908 0.340 0.034 27 1HG2 VAL 4 HG21 VAL 4 -9.447 2.930 2.690 28 2HG2 VAL 4 HG22 VAL 4 -10.288 1.380 2.639 29 3HG2 VAL 4 HG23 VAL 4 -10.525 2.556 1.345 30 H TYR 5 HN TYR 5 -7.646 -1.742 0.783 31 HA TYR 5 HA TYR 5 -4.847 -1.868 0.746 32 1HB TYR 5 HB2 TYR 5 -5.856 -3.908 0.346 33 2HB TYR 5 HB1 TYR 5 -7.027 -3.220 -0.765 34 HD1 TYR 5 HD1 TYR 5 -3.779 -4.772 -0.429 35 HD2 TYR 5 HD2 TYR 5 -6.331 -2.657 -3.097 36 HE1 TYR 5 HE1 TYR 5 -2.406 -5.520 -2.327 37 HE2 TYR 5 HE2 TYR 5 -4.965 -3.401 -5.002 38 HH TYR 5 HH TYR 5 -2.810 -5.883 -4.862 39 H ARG 6 HN ARG 6 -7.133 -0.730 -1.722 40 HA ARG 6 HA ARG 6 -5.143 -0.071 -3.619 41 1HB ARG 6 HB2 ARG 6 -7.783 -0.398 -3.789 42 2HB ARG 6 HB1 ARG 6 -7.732 1.353 -3.668 43 1HG ARG 6 HG2 ARG 6 -7.108 1.561 -5.783 44 2HG ARG 6 HG1 ARG 6 -5.786 0.413 -5.567 45 1HD ARG 6 HD2 ARG 6 -6.931 -0.923 -6.943 46 2HD ARG 6 HD1 ARG 6 -8.006 -1.207 -5.574 47 HE ARG 6 HE ARG 6 -8.820 1.115 -6.938 48 1HH1 ARG 6 HH11 ARG 6 -8.737 -2.351 -7.335 49 2HH1 ARG 6 HH12 ARG 6 -10.120 -2.391 -8.376 50 1HH2 ARG 6 HH21 ARG 6 -10.640 1.065 -8.306 51 2HH2 ARG 6 HH22 ARG 6 -11.201 -0.452 -8.928 52 H THR 7 HN THR 7 -6.819 1.814 -1.140 53 HA THR 7 HA THR 7 -5.720 4.313 -1.968 54 HB THR 7 HB THR 7 -6.660 3.792 0.831 55 HG1 THR 7 HG1 THR 7 -8.381 4.137 -1.393 56 1HG2 THR 7 HG21 THR 7 -6.034 6.043 0.443 57 2HG2 THR 7 HG22 THR 7 -7.797 5.983 0.459 58 3HG2 THR 7 HG23 THR 7 -6.932 6.097 -1.074 59 H CYS 8 HN CYS 8 -4.894 1.882 0.425 60 HA CYS 8 HA CYS 8 -2.746 3.342 1.599 61 1HB CYS 8 HB2 CYS 8 -4.001 1.345 2.596 62 2HB CYS 8 HB1 CYS 8 -2.996 0.334 1.563 63 H ASP 9 HN ASP 9 -2.963 0.877 -0.923 64 HA ASP 9 HA ASP 9 -0.209 0.566 -1.378 65 1HB ASP 9 HB2 ASP 9 -2.052 -0.941 -2.219 66 2HB ASP 9 HB1 ASP 9 -2.395 0.276 -3.445 67 H LYS 10 HN LYS 10 -2.617 2.686 -2.911 68 HA LYS 10 HA LYS 10 -0.811 3.861 -4.736 69 1HB LYS 10 HB2 LYS 10 -3.568 4.117 -4.068 70 2HB LYS 10 HB1 LYS 10 -2.858 5.720 -4.142 71 1HG LYS 10 HG2 LYS 10 -2.144 3.923 -6.354 72 2HG LYS 10 HG1 LYS 10 -3.843 4.395 -6.270 73 1HD LYS 10 HD2 LYS 10 -1.732 6.485 -5.983 74 2HD LYS 10 HD1 LYS 10 -2.112 5.859 -7.589 75 1HE LYS 10 HE2 LYS 10 -4.598 6.321 -6.559 76 2HE LYS 10 HE1 LYS 10 -3.658 7.625 -5.836 77 1HZ LYS 10 HZ1 LYS 10 -4.257 7.112 -8.660 78 2HZ LYS 10 HZ2 LYS 10 -2.807 7.890 -8.273 79 3HZ LYS 10 HZ3 LYS 10 -4.282 8.570 -7.803 80 H ASP 11 HN ASP 11 -1.836 4.737 -1.475 81 HA ASP 11 HA ASP 11 -0.660 7.268 -1.334 82 1HB ASP 11 HB2 ASP 11 -2.136 5.782 0.373 83 2HB ASP 11 HB1 ASP 11 -0.549 5.617 1.107 84 H CYS 12 HN CYS 12 0.645 4.116 -0.327 85 HA CYS 12 HA CYS 12 3.218 5.157 0.304 86 1HB CYS 12 HB2 CYS 12 2.149 2.993 1.162 87 2HB CYS 12 HB1 CYS 12 2.633 2.280 -0.373 88 H LYS 13 HN LYS 13 1.897 3.448 -2.514 89 HA LYS 13 HA LYS 13 4.250 3.131 -3.963 90 1HB LYS 13 HB2 LYS 13 1.370 3.402 -4.728 91 2HB LYS 13 HB1 LYS 13 2.596 3.399 -5.988 92 1HG LYS 13 HG2 LYS 13 3.242 1.216 -5.534 93 2HG LYS 13 HG1 LYS 13 2.526 1.239 -3.920 94 1HD LYS 13 HD2 LYS 13 1.171 -0.114 -5.403 95 2HD LYS 13 HD1 LYS 13 0.285 1.342 -4.946 96 1HE LYS 13 HE2 LYS 13 -0.113 1.372 -7.186 97 2HE LYS 13 HE1 LYS 13 1.408 2.264 -7.164 98 1HZ LYS 13 HZ1 LYS 13 2.582 0.438 -7.935 99 2HZ LYS 13 HZ2 LYS 13 1.144 0.351 -8.820 100 3HZ LYS 13 HZ3 LYS 13 1.382 -0.668 -7.491 101 H ARG 14 HN ARG 14 2.042 5.891 -3.819 102 HA ARG 14 HA ARG 14 3.374 7.433 -5.788 103 1HB ARG 14 HB2 ARG 14 1.228 7.853 -3.814 104 2HB ARG 14 HB1 ARG 14 2.140 9.298 -4.228 105 1HG ARG 14 HG2 ARG 14 1.695 8.343 -6.689 106 2HG ARG 14 HG1 ARG 14 0.279 7.696 -5.860 107 1HD ARG 14 HD2 ARG 14 0.603 10.381 -5.023 108 2HD ARG 14 HD1 ARG 14 0.761 10.352 -6.778 109 HE ARG 14 HE ARG 14 -1.445 8.856 -6.339 110 1HH1 ARG 14 HH11 ARG 14 -0.480 12.040 -5.286 111 2HH1 ARG 14 HH12 ARG 14 -2.101 12.642 -5.206 112 1HH2 ARG 14 HH21 ARG 14 -3.580 9.646 -6.233 113 2HH2 ARG 14 HH22 ARG 14 -3.861 11.284 -5.742 114 H ARG 15 HN ARG 15 4.109 6.719 -2.517 115 HA ARG 15 HA ARG 15 5.688 9.090 -2.058 116 1HB ARG 15 HB2 ARG 15 4.440 7.595 -0.318 117 2HB ARG 15 HB1 ARG 15 5.885 6.596 -0.405 118 1HG ARG 15 HG2 ARG 15 6.114 9.530 0.108 119 2HG ARG 15 HG1 ARG 15 5.705 8.419 1.417 120 1HD ARG 15 HD2 ARG 15 7.777 7.093 0.438 121 2HD ARG 15 HD1 ARG 15 8.229 8.701 -0.127 122 HE ARG 15 HE ARG 15 7.544 8.892 2.573 123 1HH1 ARG 15 HH11 ARG 15 10.008 7.435 0.577 124 2HH1 ARG 15 HH12 ARG 15 11.225 7.510 1.807 125 1HH2 ARG 15 HH21 ARG 15 9.144 8.991 4.192 126 2HH2 ARG 15 HH22 ARG 15 10.734 8.393 3.859 127 H GLY 16 HN GLY 16 6.396 5.612 -2.420 128 1HA GLY 16 HA2 GLY 16 8.571 5.931 -4.133 129 2HA GLY 16 HA1 GLY 16 9.201 5.929 -2.493 130 H TYR 17 HN TYR 17 6.431 4.081 -3.665 131 HA TYR 17 HA TYR 17 8.019 1.623 -3.382 132 1HB TYR 17 HB2 TYR 17 5.300 2.201 -2.208 133 2HB TYR 17 HB1 TYR 17 5.926 0.566 -2.398 134 HD1 TYR 17 HD1 TYR 17 6.939 -0.374 -0.556 135 HD2 TYR 17 HD2 TYR 17 7.058 3.854 -1.012 136 HE1 TYR 17 HE1 TYR 17 8.111 -0.181 1.596 137 HE2 TYR 17 HE2 TYR 17 8.232 4.059 1.139 138 HH TYR 17 HH TYR 17 8.415 2.659 3.277 139 H ARG 18 HN ARG 18 6.702 -0.315 -4.280 140 HA ARG 18 HA ARG 18 5.451 0.550 -6.803 141 1HB ARG 18 HB2 ARG 18 6.339 -1.466 -7.844 142 2HB ARG 18 HB1 ARG 18 7.636 -0.509 -7.144 143 1HG ARG 18 HG2 ARG 18 8.144 -2.075 -5.589 144 2HG ARG 18 HG1 ARG 18 6.479 -2.639 -5.449 145 1HD ARG 18 HD2 ARG 18 7.603 -3.146 -8.079 146 2HD ARG 18 HD1 ARG 18 8.539 -3.906 -6.793 147 HE ARG 18 HE ARG 18 5.707 -4.340 -6.571 148 1HH1 ARG 18 HH11 ARG 18 8.671 -5.485 -8.014 149 2HH1 ARG 18 HH12 ARG 18 8.090 -7.102 -8.225 150 1HH2 ARG 18 HH21 ARG 18 4.941 -6.467 -6.848 151 2HH2 ARG 18 HH22 ARG 18 5.972 -7.660 -7.564 152 H SER 19 HN SER 19 5.275 -1.664 -4.083 153 HA SER 19 HA SER 19 2.498 -2.219 -4.797 154 1HB SER 19 HB2 SER 19 3.230 -4.697 -3.935 155 2HB SER 19 HB1 SER 19 3.113 -4.235 -5.632 156 HG SER 19 HG SER 19 5.493 -3.882 -4.151 157 H GLY 20 HN GLY 20 1.688 -3.880 -2.905 158 1HA GLY 20 HA2 GLY 20 2.634 -3.865 -0.359 159 2HA GLY 20 HA1 GLY 20 1.897 -2.279 -0.517 160 H LYS 21 HN LYS 21 1.056 -4.214 1.325 161 HA LYS 21 HA LYS 21 -1.701 -4.577 0.421 162 1HB LYS 21 HB2 LYS 21 0.171 -6.730 1.291 163 2HB LYS 21 HB1 LYS 21 -1.510 -6.844 1.794 164 1HG LYS 21 HG2 LYS 21 -2.096 -6.532 -0.664 165 2HG LYS 21 HG1 LYS 21 -0.390 -6.847 -0.987 166 1HD LYS 21 HD2 LYS 21 -0.947 -9.011 -1.014 167 2HD LYS 21 HD1 LYS 21 -1.093 -8.878 0.740 168 1HE LYS 21 HE2 LYS 21 -3.505 -8.047 0.183 169 2HE LYS 21 HE1 LYS 21 -3.226 -8.868 -1.352 170 1HZ LYS 21 HZ1 LYS 21 -2.441 -10.742 0.366 171 2HZ LYS 21 HZ2 LYS 21 -4.024 -10.620 -0.217 172 3HZ LYS 21 HZ3 LYS 21 -3.630 -9.980 1.298 173 H CYS 22 HN CYS 22 -3.234 -4.404 2.037 174 HA CYS 22 HA CYS 22 -2.238 -3.304 4.550 175 1HB CYS 22 HB2 CYS 22 -3.880 -1.934 3.458 176 2HB CYS 22 HB1 CYS 22 -4.979 -3.297 3.279 177 H ILE 23 HN ILE 23 -1.835 -4.791 6.058 178 HA ILE 23 HA ILE 23 -3.263 -7.269 6.222 179 HB ILE 23 HB ILE 23 -1.466 -6.107 8.347 180 1HG1 ILE 23 HG12 ILE 23 -0.342 -6.095 6.128 181 2HG1 ILE 23 HG11 ILE 23 0.403 -7.215 7.263 182 1HG2 ILE 23 HG21 ILE 23 -2.617 -8.784 7.762 183 2HG2 ILE 23 HG22 ILE 23 -2.404 -7.957 9.305 184 3HG2 ILE 23 HG23 ILE 23 -1.018 -8.696 8.501 185 1HD1 ILE 23 HD11 ILE 23 0.241 -8.169 5.033 186 2HD1 ILE 23 HD12 ILE 23 -1.510 -7.956 5.062 187 3HD1 ILE 23 HD13 ILE 23 -0.738 -9.075 6.187 188 H ASN 24 HN ASN 24 -4.507 -7.983 8.042 189 HA ASN 24 HA ASN 24 -6.670 -6.502 8.687 190 1HB ASN 24 HB2 ASN 24 -5.331 -8.675 10.270 191 2HB ASN 24 HB1 ASN 24 -6.876 -7.981 10.749 192 1HD2 ASN 24 HD21 ASN 24 -8.439 -7.826 8.777 193 2HD2 ASN 24 HD22 ASN 24 -8.592 -9.286 7.866 194 H ASN 25 HN ASN 25 -3.558 -6.114 10.079 195 HA ASN 25 HA ASN 25 -4.546 -3.850 11.601 196 1HB ASN 25 HB2 ASN 25 -3.418 -4.583 13.686 197 2HB ASN 25 HB1 ASN 25 -4.760 -5.628 13.228 198 1HD2 ASN 25 HD21 ASN 25 -1.282 -5.324 13.360 199 2HD2 ASN 25 HD22 ASN 25 -0.937 -7.014 13.255 200 H ALA 26 HN ALA 26 -2.755 -4.223 9.283 201 HA ALA 26 HA ALA 26 -0.789 -2.340 9.962 202 1HB ALA 26 HB1 ALA 26 1.139 -4.138 9.498 203 2HB ALA 26 HB2 ALA 26 -0.032 -5.166 10.322 204 3HB ALA 26 HB3 ALA 26 0.580 -3.715 11.117 205 H CYS 27 HN CYS 27 -0.452 -1.299 8.111 206 HA CYS 27 HA CYS 27 -0.762 -2.754 5.591 207 1HB CYS 27 HB2 CYS 27 -1.937 -0.491 6.209 208 2HB CYS 27 HB1 CYS 27 -0.393 0.215 5.749 209 H LYS 28 HN LYS 28 0.969 -3.420 4.528 210 HA LYS 28 HA LYS 28 3.496 -1.946 4.897 211 1HB LYS 28 HB2 LYS 28 2.888 -4.746 5.320 212 2HB LYS 28 HB1 LYS 28 4.163 -4.555 4.124 213 1HG LYS 28 HG2 LYS 28 4.559 -2.844 6.433 214 2HG LYS 28 HG1 LYS 28 4.465 -4.552 6.866 215 1HD LYS 28 HD2 LYS 28 6.409 -5.055 5.830 216 2HD LYS 28 HD1 LYS 28 6.115 -3.926 4.506 217 1HE LYS 28 HE2 LYS 28 6.561 -2.612 7.074 218 2HE LYS 28 HE1 LYS 28 7.931 -3.584 6.539 219 1HZ LYS 28 HZ1 LYS 28 7.520 -1.073 5.773 220 2HZ LYS 28 HZ2 LYS 28 6.725 -1.883 4.519 221 3HZ LYS 28 HZ3 LYS 28 8.356 -2.205 4.832 222 H CYS 29 HN CYS 29 4.673 -1.458 3.112 223 HA CYS 29 HA CYS 29 3.610 -2.362 0.523 224 1HB CYS 29 HB2 CYS 29 4.809 -0.019 -0.127 225 2HB CYS 29 HB1 CYS 29 3.098 -0.177 0.243 226 H TYR 30 HN TYR 30 5.142 -2.563 -1.210 227 HA TYR 30 HA TYR 30 7.883 -3.034 -0.236 228 1HB TYR 30 HB2 TYR 30 6.636 -4.414 -2.607 229 2HB TYR 30 HB1 TYR 30 8.087 -4.870 -1.722 230 HD1 TYR 30 HD1 TYR 30 7.890 -5.880 0.535 231 HD2 TYR 30 HD2 TYR 30 4.470 -5.094 -1.870 232 HE1 TYR 30 HE1 TYR 30 6.559 -7.393 1.945 233 HE2 TYR 30 HE2 TYR 30 3.129 -6.604 -0.467 234 HH TYR 30 HH TYR 30 3.554 -8.567 1.054 235 HA PRO 31 HA PRO 31 9.027 -0.001 -3.293 236 1HB PRO 31 HB2 PRO 31 11.671 -0.022 -2.903 237 2HB PRO 31 HB1 PRO 31 10.568 0.615 -1.676 238 1HG PRO 31 HG2 PRO 31 11.941 -2.039 -1.796 239 2HG PRO 31 HG1 PRO 31 11.687 -0.971 -0.404 240 1HD PRO 31 HD2 PRO 31 10.136 -3.178 -0.991 241 2HD PRO 31 HD1 PRO 31 9.599 -1.805 -0.005 242 H TYR 32 HN TYR 32 10.639 0.189 -5.127 243 HA TYR 32 HA TYR 32 10.400 -2.111 -6.806 244 1HB TYR 32 HB2 TYR 32 10.616 0.570 -7.272 245 2HB TYR 32 HB1 TYR 32 12.239 0.021 -7.674 246 HD1 TYR 32 HD1 TYR 32 12.355 0.114 -9.997 247 HD2 TYR 32 HD2 TYR 32 8.965 -1.689 -8.165 248 HE1 TYR 32 HE1 TYR 32 11.560 -0.621 -12.205 249 HE2 TYR 32 HE2 TYR 32 8.161 -2.430 -10.367 250 HH TYR 32 HH TYR 32 9.494 -2.931 -12.741 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 -11.144 7.323 8.202 2 2H ALA 1 HT2 ALA 1 -12.182 6.304 9.114 3 3H ALA 1 HT3 ALA 1 -12.841 7.400 7.970 4 HA ALA 1 HA ALA 1 -12.940 5.450 6.869 5 1HB ALA 1 HB1 ALA 1 -11.675 7.267 5.671 6 2HB ALA 1 HB2 ALA 1 -11.388 5.628 5.085 7 3HB ALA 1 HB3 ALA 1 -10.193 6.419 6.113 8 H VAL 2 HN VAL 2 -11.913 3.414 6.156 9 HA VAL 2 HA VAL 2 -10.286 2.282 8.333 10 HB VAL 2 HB VAL 2 -11.551 0.425 6.419 11 1HG1 VAL 2 HG11 VAL 2 -11.015 0.576 9.353 12 2HG1 VAL 2 HG12 VAL 2 -10.504 -0.637 8.178 13 3HG1 VAL 2 HG13 VAL 2 -12.180 -0.591 8.726 14 1HG2 VAL 2 HG21 VAL 2 -13.157 2.262 8.155 15 2HG2 VAL 2 HG22 VAL 2 -13.718 0.622 7.829 16 3HG2 VAL 2 HG23 VAL 2 -13.458 1.746 6.495 17 H CYS 3 HN CYS 3 -8.895 0.410 7.630 18 HA CYS 3 HA CYS 3 -7.048 1.343 5.667 19 1HB CYS 3 HB2 CYS 3 -6.352 0.105 7.697 20 2HB CYS 3 HB1 CYS 3 -7.142 -1.337 7.069 21 H VAL 4 HN VAL 4 -7.200 1.082 3.552 22 HA VAL 4 HA VAL 4 -8.652 -1.268 2.521 23 HB VAL 4 HB VAL 4 -8.355 1.392 1.125 24 1HG1 VAL 4 HG11 VAL 4 -9.548 -1.219 0.426 25 2HG1 VAL 4 HG12 VAL 4 -8.826 0.014 -0.608 26 3HG1 VAL 4 HG13 VAL 4 -10.476 0.214 -0.017 27 1HG2 VAL 4 HG21 VAL 4 -9.710 1.615 3.161 28 2HG2 VAL 4 HG22 VAL 4 -10.748 0.302 2.605 29 3HG2 VAL 4 HG23 VAL 4 -10.679 1.815 1.702 30 H TYR 5 HN TYR 5 -7.859 -2.265 0.630 31 HA TYR 5 HA TYR 5 -5.051 -2.462 0.477 32 1HB TYR 5 HB2 TYR 5 -6.236 -4.395 -0.117 33 2HB TYR 5 HB1 TYR 5 -7.295 -3.510 -1.200 34 HD1 TYR 5 HD1 TYR 5 -3.809 -4.707 -0.797 35 HD2 TYR 5 HD2 TYR 5 -6.797 -3.334 -3.494 36 HE1 TYR 5 HE1 TYR 5 -2.372 -5.328 -2.694 37 HE2 TYR 5 HE2 TYR 5 -5.370 -3.952 -5.399 38 HH TYR 5 HH TYR 5 -3.523 -5.402 -5.924 39 H ARG 6 HN ARG 6 -7.435 -0.956 -1.673 40 HA ARG 6 HA ARG 6 -5.559 -0.061 -3.585 41 1HB ARG 6 HB2 ARG 6 -8.225 -0.263 -3.579 42 2HB ARG 6 HB1 ARG 6 -8.074 1.445 -3.205 43 1HG ARG 6 HG2 ARG 6 -6.467 0.421 -5.465 44 2HG ARG 6 HG1 ARG 6 -8.214 0.530 -5.693 45 1HD ARG 6 HD2 ARG 6 -7.530 2.930 -4.482 46 2HD ARG 6 HD1 ARG 6 -6.215 2.629 -5.617 47 HE ARG 6 HE ARG 6 -7.667 2.998 -7.351 48 1HH1 ARG 6 HH11 ARG 6 -9.495 2.573 -4.408 49 2HH1 ARG 6 HH12 ARG 6 -10.998 3.045 -5.126 50 1HH2 ARG 6 HH21 ARG 6 -9.644 3.621 -8.296 51 2HH2 ARG 6 HH22 ARG 6 -11.084 3.640 -7.333 52 H THR 7 HN THR 7 -6.866 1.352 -0.648 53 HA THR 7 HA THR 7 -5.807 3.965 -1.122 54 HB THR 7 HB THR 7 -6.710 2.673 1.457 55 HG1 THR 7 HG1 THR 7 -8.660 3.706 1.032 56 1HG2 THR 7 HG21 THR 7 -7.054 4.915 2.294 57 2HG2 THR 7 HG22 THR 7 -6.409 5.590 0.798 58 3HG2 THR 7 HG23 THR 7 -5.361 4.663 1.871 59 H CYS 8 HN CYS 8 -4.857 1.175 0.808 60 HA CYS 8 HA CYS 8 -2.534 2.298 1.948 61 1HB CYS 8 HB2 CYS 8 -3.399 0.317 2.935 62 2HB CYS 8 HB1 CYS 8 -3.397 -0.541 1.402 63 H ASP 9 HN ASP 9 -3.074 0.425 -0.999 64 HA ASP 9 HA ASP 9 -0.394 0.210 -1.801 65 1HB ASP 9 HB2 ASP 9 -2.327 -1.103 -2.730 66 2HB ASP 9 HB1 ASP 9 -2.811 0.341 -3.614 67 H LYS 10 HN LYS 10 -2.922 2.527 -2.757 68 HA LYS 10 HA LYS 10 -1.274 4.070 -4.433 69 1HB LYS 10 HB2 LYS 10 -3.957 4.158 -3.502 70 2HB LYS 10 HB1 LYS 10 -3.252 5.752 -3.297 71 1HG LYS 10 HG2 LYS 10 -2.428 5.323 -5.764 72 2HG LYS 10 HG1 LYS 10 -3.812 4.227 -5.778 73 1HD LYS 10 HD2 LYS 10 -4.364 6.863 -4.617 74 2HD LYS 10 HD1 LYS 10 -3.922 6.898 -6.325 75 1HE LYS 10 HE2 LYS 10 -6.069 6.427 -6.727 76 2HE LYS 10 HE1 LYS 10 -5.681 4.792 -6.194 77 1HZ LYS 10 HZ1 LYS 10 -7.345 5.187 -4.757 78 2HZ LYS 10 HZ2 LYS 10 -7.195 6.870 -4.848 79 3HZ LYS 10 HZ3 LYS 10 -6.149 5.981 -3.860 80 H ASP 11 HN ASP 11 -2.089 4.429 -1.001 81 HA ASP 11 HA ASP 11 -0.857 6.868 -0.515 82 1HB ASP 11 HB2 ASP 11 -2.204 5.096 1.015 83 2HB ASP 11 HB1 ASP 11 -0.569 4.825 1.590 84 H CYS 12 HN CYS 12 0.496 3.595 -0.240 85 HA CYS 12 HA CYS 12 3.104 4.528 0.426 86 1HB CYS 12 HB2 CYS 12 2.072 2.228 0.905 87 2HB CYS 12 HB1 CYS 12 2.506 1.829 -0.753 88 H LYS 13 HN LYS 13 1.639 3.351 -2.598 89 HA LYS 13 HA LYS 13 3.860 3.278 -4.219 90 1HB LYS 13 HB2 LYS 13 1.171 3.023 -4.637 91 2HB LYS 13 HB1 LYS 13 1.518 4.509 -5.506 92 1HG LYS 13 HG2 LYS 13 2.346 3.360 -7.203 93 2HG LYS 13 HG1 LYS 13 3.523 2.587 -6.141 94 1HD LYS 13 HD2 LYS 13 2.460 0.674 -6.595 95 2HD LYS 13 HD1 LYS 13 1.173 1.270 -5.545 96 1HE LYS 13 HE2 LYS 13 -0.056 0.840 -7.412 97 2HE LYS 13 HE1 LYS 13 0.433 2.495 -7.776 98 1HZ LYS 13 HZ1 LYS 13 2.445 1.286 -8.881 99 2HZ LYS 13 HZ2 LYS 13 0.978 1.438 -9.710 100 3HZ LYS 13 HZ3 LYS 13 1.374 -0.022 -8.953 101 H ARG 14 HN ARG 14 1.779 6.099 -3.592 102 HA ARG 14 HA ARG 14 3.284 7.897 -5.156 103 1HB ARG 14 HB2 ARG 14 1.473 8.436 -2.795 104 2HB ARG 14 HB1 ARG 14 2.084 9.665 -3.895 105 1HG ARG 14 HG2 ARG 14 0.973 8.131 -5.714 106 2HG ARG 14 HG1 ARG 14 0.013 7.580 -4.340 107 1HD ARG 14 HD2 ARG 14 -0.013 10.313 -4.051 108 2HD ARG 14 HD1 ARG 14 -0.076 10.103 -5.801 109 HE ARG 14 HE ARG 14 -1.935 8.447 -4.357 110 1HH1 ARG 14 HH11 ARG 14 -1.416 11.571 -5.825 111 2HH1 ARG 14 HH12 ARG 14 -3.104 11.885 -6.050 112 1HH2 ARG 14 HH21 ARG 14 -4.156 8.858 -4.654 113 2HH2 ARG 14 HH22 ARG 14 -4.659 10.345 -5.385 114 H ARG 15 HN ARG 15 3.772 6.609 -1.990 115 HA ARG 15 HA ARG 15 5.472 8.683 -1.015 116 1HB ARG 15 HB2 ARG 15 4.225 6.951 0.371 117 2HB ARG 15 HB1 ARG 15 5.470 5.807 -0.109 118 1HG ARG 15 HG2 ARG 15 6.457 8.341 1.007 119 2HG ARG 15 HG1 ARG 15 5.565 7.309 2.127 120 1HD ARG 15 HD2 ARG 15 7.079 5.420 1.218 121 2HD ARG 15 HD1 ARG 15 8.099 6.735 0.636 122 HE ARG 15 HE ARG 15 7.779 5.864 3.351 123 1HH1 ARG 15 HH11 ARG 15 8.604 8.568 1.306 124 2HH1 ARG 15 HH12 ARG 15 9.551 9.359 2.522 125 1HH2 ARG 15 HH21 ARG 15 9.025 6.902 4.951 126 2HH2 ARG 15 HH22 ARG 15 9.791 8.413 4.590 127 H GLY 16 HN GLY 16 5.908 6.118 -3.232 128 1HA GLY 16 HA2 GLY 16 7.905 6.250 -4.618 129 2HA GLY 16 HA1 GLY 16 8.801 6.545 -3.142 130 H TYR 17 HN TYR 17 6.286 4.130 -3.712 131 HA TYR 17 HA TYR 17 8.319 2.041 -3.261 132 1HB TYR 17 HB2 TYR 17 5.555 2.349 -2.142 133 2HB TYR 17 HB1 TYR 17 6.236 0.738 -2.350 134 HD1 TYR 17 HD1 TYR 17 7.508 4.029 -1.089 135 HD2 TYR 17 HD2 TYR 17 7.071 -0.146 -0.399 136 HE1 TYR 17 HE1 TYR 17 8.703 4.263 1.047 137 HE2 TYR 17 HE2 TYR 17 8.264 0.076 1.739 138 HH TYR 17 HH TYR 17 9.929 1.658 2.763 139 H ARG 18 HN ARG 18 7.231 -0.208 -3.906 140 HA ARG 18 HA ARG 18 6.574 0.093 -6.727 141 1HB ARG 18 HB2 ARG 18 8.211 -1.656 -5.378 142 2HB ARG 18 HB1 ARG 18 6.784 -2.635 -5.691 143 1HG ARG 18 HG2 ARG 18 7.252 -1.350 -8.097 144 2HG ARG 18 HG1 ARG 18 8.864 -1.751 -7.500 145 1HD ARG 18 HD2 ARG 18 8.506 -3.996 -7.644 146 2HD ARG 18 HD1 ARG 18 6.781 -3.852 -7.310 147 HE ARG 18 HE ARG 18 7.570 -2.796 -9.868 148 1HH1 ARG 18 HH11 ARG 18 6.567 -5.649 -8.125 149 2HH1 ARG 18 HH12 ARG 18 5.979 -6.458 -9.538 150 1HH2 ARG 18 HH21 ARG 18 6.794 -3.858 -11.728 151 2HH2 ARG 18 HH22 ARG 18 6.108 -5.442 -11.583 152 H SER 19 HN SER 19 5.308 -1.697 -3.909 153 HA SER 19 HA SER 19 2.606 -1.293 -4.897 154 1HB SER 19 HB2 SER 19 3.653 -4.097 -4.440 155 2HB SER 19 HB1 SER 19 2.012 -3.654 -4.911 156 HG SER 19 HG SER 19 2.654 -3.387 -6.904 157 H GLY 20 HN GLY 20 0.956 -2.025 -3.331 158 1HA GLY 20 HA2 GLY 20 1.993 -2.371 -0.605 159 2HA GLY 20 HA1 GLY 20 0.910 -1.031 -0.932 160 H LYS 21 HN LYS 21 0.337 -2.970 0.970 161 HA LYS 21 HA LYS 21 -2.234 -3.839 0.067 162 1HB LYS 21 HB2 LYS 21 -0.527 -5.598 -0.760 163 2HB LYS 21 HB1 LYS 21 -0.410 -6.067 0.930 164 1HG LYS 21 HG2 LYS 21 -3.024 -6.184 0.751 165 2HG LYS 21 HG1 LYS 21 -2.678 -6.362 -0.971 166 1HD LYS 21 HD2 LYS 21 -1.496 -8.351 -0.648 167 2HD LYS 21 HD1 LYS 21 -1.273 -8.045 1.076 168 1HE LYS 21 HE2 LYS 21 -2.914 -9.729 0.941 169 2HE LYS 21 HE1 LYS 21 -3.793 -8.241 1.289 170 1HZ LYS 21 HZ1 LYS 21 -4.959 -9.393 -0.404 171 2HZ LYS 21 HZ2 LYS 21 -3.560 -9.622 -1.325 172 3HZ LYS 21 HZ3 LYS 21 -4.210 -8.071 -1.147 173 H CYS 22 HN CYS 22 -3.581 -3.735 1.744 174 HA CYS 22 HA CYS 22 -2.605 -3.177 4.365 175 1HB CYS 22 HB2 CYS 22 -4.695 -2.198 3.465 176 2HB CYS 22 HB1 CYS 22 -5.430 -3.798 3.473 177 H ILE 23 HN ILE 23 -1.661 -4.762 5.498 178 HA ILE 23 HA ILE 23 -3.128 -7.293 5.786 179 HB ILE 23 HB ILE 23 -0.123 -7.053 5.842 180 1HG1 ILE 23 HG12 ILE 23 -0.904 -6.564 3.589 181 2HG1 ILE 23 HG11 ILE 23 -0.172 -8.165 3.629 182 1HG2 ILE 23 HG21 ILE 23 -0.450 -8.988 6.957 183 2HG2 ILE 23 HG22 ILE 23 -0.648 -9.638 5.330 184 3HG2 ILE 23 HG23 ILE 23 -2.066 -9.224 6.293 185 1HD1 ILE 23 HD11 ILE 23 -2.914 -8.511 4.154 186 2HD1 ILE 23 HD12 ILE 23 -2.006 -8.986 2.719 187 3HD1 ILE 23 HD13 ILE 23 -2.781 -7.403 2.789 188 H ASN 24 HN ASN 24 -3.296 -8.133 7.826 189 HA ASN 24 HA ASN 24 -3.495 -8.039 10.098 190 1HB ASN 24 HB2 ASN 24 -0.616 -7.217 9.745 191 2HB ASN 24 HB1 ASN 24 -1.336 -7.609 11.302 192 1HD2 ASN 24 HD21 ASN 24 0.787 -8.860 9.532 193 2HD2 ASN 24 HD22 ASN 24 0.339 -10.527 9.461 194 H ASN 25 HN ASN 25 -4.733 -5.960 9.144 195 HA ASN 25 HA ASN 25 -5.396 -3.793 9.423 196 1HB ASN 25 HB2 ASN 25 -5.651 -3.113 11.729 197 2HB ASN 25 HB1 ASN 25 -5.971 -4.839 11.605 198 1HD2 ASN 25 HD21 ASN 25 -3.752 -2.405 12.724 199 2HD2 ASN 25 HD22 ASN 25 -2.843 -3.433 13.774 200 H ALA 26 HN ALA 26 -2.652 -4.137 8.528 201 HA ALA 26 HA ALA 26 -1.682 -1.473 9.226 202 1HB ALA 26 HB1 ALA 26 0.656 -2.384 9.436 203 2HB ALA 26 HB2 ALA 26 -0.063 -3.992 9.535 204 3HB ALA 26 HB3 ALA 26 -0.436 -2.781 10.763 205 H CYS 27 HN CYS 27 -1.022 -0.390 7.484 206 HA CYS 27 HA CYS 27 -1.237 -1.471 4.894 207 1HB CYS 27 HB2 CYS 27 -1.519 0.935 5.451 208 2HB CYS 27 HB1 CYS 27 0.210 1.045 5.753 209 H LYS 28 HN LYS 28 0.069 -3.096 4.278 210 HA LYS 28 HA LYS 28 2.959 -2.833 4.771 211 1HB LYS 28 HB2 LYS 28 1.454 -4.917 5.452 212 2HB LYS 28 HB1 LYS 28 1.761 -5.378 3.784 213 1HG LYS 28 HG2 LYS 28 3.600 -6.345 4.589 214 2HG LYS 28 HG1 LYS 28 4.261 -4.710 4.649 215 1HD LYS 28 HD2 LYS 28 3.641 -4.479 6.956 216 2HD LYS 28 HD1 LYS 28 2.765 -6.011 6.921 217 1HE LYS 28 HE2 LYS 28 4.881 -6.361 7.998 218 2HE LYS 28 HE1 LYS 28 4.907 -7.164 6.429 219 1HZ LYS 28 HZ1 LYS 28 6.588 -5.093 7.417 220 2HZ LYS 28 HZ2 LYS 28 5.861 -4.630 5.961 221 3HZ LYS 28 HZ3 LYS 28 6.771 -6.054 6.036 222 H CYS 29 HN CYS 29 4.126 -2.150 3.104 223 HA CYS 29 HA CYS 29 3.360 -3.009 0.403 224 1HB CYS 29 HB2 CYS 29 4.129 -0.686 -0.351 225 2HB CYS 29 HB1 CYS 29 2.562 -0.797 0.443 226 H TYR 30 HN TYR 30 5.103 -2.826 -1.182 227 HA TYR 30 HA TYR 30 7.758 -3.110 0.057 228 1HB TYR 30 HB2 TYR 30 7.324 -4.434 -2.547 229 2HB TYR 30 HB1 TYR 30 8.197 -4.999 -1.128 230 HD1 TYR 30 HD1 TYR 30 4.831 -4.661 -2.626 231 HD2 TYR 30 HD2 TYR 30 7.176 -6.472 0.427 232 HE1 TYR 30 HE1 TYR 30 2.959 -6.161 -2.087 233 HE2 TYR 30 HE2 TYR 30 5.311 -7.978 0.974 234 HH TYR 30 HH TYR 30 3.212 -8.902 -0.447 235 HA PRO 31 HA PRO 31 8.836 0.194 -2.731 236 1HB PRO 31 HB2 PRO 31 11.429 0.398 -2.118 237 2HB PRO 31 HB1 PRO 31 10.174 0.838 -0.961 238 1HG PRO 31 HG2 PRO 31 11.819 -1.647 -1.105 239 2HG PRO 31 HG1 PRO 31 11.339 -0.703 0.316 240 1HD PRO 31 HD2 PRO 31 10.082 -3.010 -0.534 241 2HD PRO 31 HD1 PRO 31 9.329 -1.768 0.483 242 H TYR 32 HN TYR 32 10.959 -2.624 -2.565 243 HA TYR 32 HA TYR 32 12.644 -2.646 -4.525 244 1HB TYR 32 HB2 TYR 32 12.428 -4.949 -4.772 245 2HB TYR 32 HB1 TYR 32 11.658 -4.660 -3.218 246 HD1 TYR 32 HD1 TYR 32 11.354 -6.455 -6.142 247 HD2 TYR 32 HD2 TYR 32 9.015 -4.041 -3.533 248 HE1 TYR 32 HE1 TYR 32 9.312 -7.548 -6.969 249 HE2 TYR 32 HE2 TYR 32 6.967 -5.130 -4.352 250 HH TYR 32 HH TYR 32 6.495 -7.557 -5.476 Start of MODEL 19 1 1H ALA 1 HT1 ALA 1 -9.373 7.345 9.011 2 2H ALA 1 HT2 ALA 1 -10.926 6.844 9.544 3 3H ALA 1 HT3 ALA 1 -10.770 8.199 8.503 4 HA ALA 1 HA ALA 1 -11.538 6.334 7.296 5 1HB ALA 1 HB1 ALA 1 -8.649 6.830 6.612 6 2HB ALA 1 HB2 ALA 1 -9.939 7.990 6.296 7 3HB ALA 1 HB3 ALA 1 -9.964 6.408 5.515 8 H VAL 2 HN VAL 2 -11.358 4.185 6.653 9 HA VAL 2 HA VAL 2 -9.883 2.496 8.517 10 HB VAL 2 HB VAL 2 -11.509 1.233 6.392 11 1HG1 VAL 2 HG11 VAL 2 -10.432 0.556 8.908 12 2HG1 VAL 2 HG12 VAL 2 -11.377 -0.458 7.818 13 3HG1 VAL 2 HG13 VAL 2 -12.187 0.490 9.065 14 1HG2 VAL 2 HG21 VAL 2 -13.047 2.957 6.743 15 2HG2 VAL 2 HG22 VAL 2 -12.681 3.060 8.466 16 3HG2 VAL 2 HG23 VAL 2 -13.588 1.683 7.837 17 H CYS 3 HN CYS 3 -8.958 0.441 7.569 18 HA CYS 3 HA CYS 3 -6.935 1.182 5.671 19 1HB CYS 3 HB2 CYS 3 -6.558 -0.333 7.646 20 2HB CYS 3 HB1 CYS 3 -7.490 -1.565 6.802 21 H VAL 4 HN VAL 4 -7.173 1.117 3.547 22 HA VAL 4 HA VAL 4 -8.987 -0.898 2.390 23 HB VAL 4 HB VAL 4 -8.402 1.831 1.240 24 1HG1 VAL 4 HG11 VAL 4 -9.041 0.631 -0.592 25 2HG1 VAL 4 HG12 VAL 4 -10.631 1.092 0.015 26 3HG1 VAL 4 HG13 VAL 4 -9.991 -0.516 0.353 27 1HG2 VAL 4 HG21 VAL 4 -9.676 1.979 3.343 28 2HG2 VAL 4 HG22 VAL 4 -10.886 0.888 2.667 29 3HG2 VAL 4 HG23 VAL 4 -10.629 2.476 1.944 30 H TYR 5 HN TYR 5 -8.413 -1.747 0.330 31 HA TYR 5 HA TYR 5 -5.634 -2.263 0.041 32 1HB TYR 5 HB2 TYR 5 -7.796 -3.647 -0.661 33 2HB TYR 5 HB1 TYR 5 -7.499 -2.835 -2.192 34 HD1 TYR 5 HD1 TYR 5 -4.802 -2.859 -2.768 35 HD2 TYR 5 HD2 TYR 5 -6.956 -5.784 -0.552 36 HE1 TYR 5 HE1 TYR 5 -3.096 -4.536 -3.336 37 HE2 TYR 5 HE2 TYR 5 -5.255 -7.469 -1.113 38 HH TYR 5 HH TYR 5 -2.248 -6.646 -2.527 39 H ARG 6 HN ARG 6 -7.967 -0.430 -1.911 40 HA ARG 6 HA ARG 6 -6.104 0.412 -3.854 41 1HB ARG 6 HB2 ARG 6 -8.766 0.456 -3.747 42 2HB ARG 6 HB1 ARG 6 -8.452 2.109 -3.247 43 1HG ARG 6 HG2 ARG 6 -8.570 2.465 -5.472 44 2HG ARG 6 HG1 ARG 6 -6.863 2.027 -5.381 45 1HD ARG 6 HD2 ARG 6 -8.655 -0.267 -5.644 46 2HD ARG 6 HD1 ARG 6 -8.731 0.849 -7.006 47 HE ARG 6 HE ARG 6 -6.040 0.282 -6.328 48 1HH1 ARG 6 HH11 ARG 6 -8.834 -1.113 -7.886 49 2HH1 ARG 6 HH12 ARG 6 -7.900 -2.146 -8.916 50 1HH2 ARG 6 HH21 ARG 6 -4.810 -1.075 -7.681 51 2HH2 ARG 6 HH22 ARG 6 -5.615 -2.124 -8.799 52 H THR 7 HN THR 7 -7.194 1.814 -0.813 53 HA THR 7 HA THR 7 -5.858 4.309 -1.182 54 HB THR 7 HB THR 7 -6.656 3.089 1.457 55 HG1 THR 7 HG1 THR 7 -8.312 4.605 -0.269 56 1HG2 THR 7 HG21 THR 7 -6.451 5.934 0.512 57 2HG2 THR 7 HG22 THR 7 -5.460 5.137 1.735 58 3HG2 THR 7 HG23 THR 7 -7.171 5.436 2.043 59 H CYS 8 HN CYS 8 -5.111 1.258 0.372 60 HA CYS 8 HA CYS 8 -2.662 2.099 1.557 61 1HB CYS 8 HB2 CYS 8 -3.821 0.136 2.399 62 2HB CYS 8 HB1 CYS 8 -3.681 -0.658 0.835 63 H ASP 9 HN ASP 9 -3.503 0.455 -1.457 64 HA ASP 9 HA ASP 9 -0.885 0.020 -2.378 65 1HB ASP 9 HB2 ASP 9 -2.969 -1.043 -3.294 66 2HB ASP 9 HB1 ASP 9 -3.339 0.488 -4.081 67 H LYS 10 HN LYS 10 -3.164 2.687 -2.944 68 HA LYS 10 HA LYS 10 -1.504 4.141 -4.687 69 1HB LYS 10 HB2 LYS 10 -4.053 4.476 -3.476 70 2HB LYS 10 HB1 LYS 10 -3.132 5.950 -3.232 71 1HG LYS 10 HG2 LYS 10 -2.937 6.356 -5.508 72 2HG LYS 10 HG1 LYS 10 -3.296 4.681 -5.934 73 1HD LYS 10 HD2 LYS 10 -5.577 4.943 -5.549 74 2HD LYS 10 HD1 LYS 10 -5.340 6.376 -4.546 75 1HE LYS 10 HE2 LYS 10 -6.192 7.215 -6.553 76 2HE LYS 10 HE1 LYS 10 -4.455 7.490 -6.671 77 1HZ LYS 10 HZ1 LYS 10 -4.246 6.015 -8.340 78 2HZ LYS 10 HZ2 LYS 10 -5.888 6.339 -8.586 79 3HZ LYS 10 HZ3 LYS 10 -5.418 4.960 -7.726 80 H ASP 11 HN ASP 11 -1.963 4.345 -1.174 81 HA ASP 11 HA ASP 11 -0.303 6.539 -0.694 82 1HB ASP 11 HB2 ASP 11 -1.838 4.888 0.844 83 2HB ASP 11 HB1 ASP 11 -0.220 4.409 1.325 84 H CYS 12 HN CYS 12 0.392 3.092 -0.877 85 HA CYS 12 HA CYS 12 3.124 3.252 -0.188 86 1HB CYS 12 HB2 CYS 12 1.967 1.145 -0.052 87 2HB CYS 12 HB1 CYS 12 1.583 1.189 -1.767 88 H LYS 13 HN LYS 13 1.577 2.922 -3.404 89 HA LYS 13 HA LYS 13 3.968 3.107 -4.865 90 1HB LYS 13 HB2 LYS 13 2.513 3.661 -6.800 91 2HB LYS 13 HB1 LYS 13 1.980 2.241 -5.910 92 1HG LYS 13 HG2 LYS 13 -0.001 3.337 -6.264 93 2HG LYS 13 HG1 LYS 13 0.448 3.932 -4.666 94 1HD LYS 13 HD2 LYS 13 0.289 6.003 -5.458 95 2HD LYS 13 HD1 LYS 13 1.678 5.665 -6.492 96 1HE LYS 13 HE2 LYS 13 0.277 4.994 -8.293 97 2HE LYS 13 HE1 LYS 13 -1.153 4.993 -7.263 98 1HZ LYS 13 HZ1 LYS 13 -0.426 7.500 -6.971 99 2HZ LYS 13 HZ2 LYS 13 -1.412 6.999 -8.250 100 3HZ LYS 13 HZ3 LYS 13 0.243 7.235 -8.502 101 H ARG 14 HN ARG 14 1.825 5.571 -3.591 102 HA ARG 14 HA ARG 14 3.178 7.699 -5.001 103 1HB ARG 14 HB2 ARG 14 0.664 7.501 -4.112 104 2HB ARG 14 HB1 ARG 14 1.378 8.290 -2.712 105 1HG ARG 14 HG2 ARG 14 1.920 10.203 -3.907 106 2HG ARG 14 HG1 ARG 14 1.811 9.378 -5.463 107 1HD ARG 14 HD2 ARG 14 -0.282 10.092 -5.658 108 2HD ARG 14 HD1 ARG 14 -0.716 9.136 -4.242 109 HE ARG 14 HE ARG 14 0.305 11.392 -3.164 110 1HH1 ARG 14 HH11 ARG 14 -2.146 10.809 -5.579 111 2HH1 ARG 14 HH12 ARG 14 -3.048 12.234 -5.187 112 1HH2 ARG 14 HH21 ARG 14 -0.880 13.267 -2.648 113 2HH2 ARG 14 HH22 ARG 14 -2.330 13.630 -3.524 114 H ARG 15 HN ARG 15 4.101 5.851 -2.481 115 HA ARG 15 HA ARG 15 5.388 8.067 -1.052 116 1HB ARG 15 HB2 ARG 15 4.394 5.399 -0.215 117 2HB ARG 15 HB1 ARG 15 5.864 5.974 0.561 118 1HG ARG 15 HG2 ARG 15 3.307 7.554 0.446 119 2HG ARG 15 HG1 ARG 15 3.757 6.497 1.785 120 1HD ARG 15 HD2 ARG 15 5.982 7.922 1.688 121 2HD ARG 15 HD1 ARG 15 4.908 9.109 0.948 122 HE ARG 15 HE ARG 15 5.016 8.383 3.698 123 1HH1 ARG 15 HH11 ARG 15 2.837 9.415 1.175 124 2HH1 ARG 15 HH12 ARG 15 1.710 10.139 2.273 125 1HH2 ARG 15 HH21 ARG 15 3.536 9.335 5.143 126 2HH2 ARG 15 HH22 ARG 15 2.107 10.094 4.525 127 H GLY 16 HN GLY 16 6.286 6.981 -3.601 128 1HA GLY 16 HA2 GLY 16 8.270 6.432 -4.612 129 2HA GLY 16 HA1 GLY 16 9.043 6.811 -3.080 130 H TYR 17 HN TYR 17 6.641 4.298 -3.737 131 HA TYR 17 HA TYR 17 8.712 2.271 -3.232 132 1HB TYR 17 HB2 TYR 17 5.932 2.336 -2.043 133 2HB TYR 17 HB1 TYR 17 7.054 0.988 -1.901 134 HD1 TYR 17 HD1 TYR 17 5.780 3.685 -0.184 135 HD2 TYR 17 HD2 TYR 17 9.511 1.845 -1.068 136 HE1 TYR 17 HE1 TYR 17 6.757 4.715 1.824 137 HE2 TYR 17 HE2 TYR 17 10.499 2.868 0.937 138 HH TYR 17 HH TYR 17 9.806 3.792 3.065 139 H ARG 18 HN ARG 18 7.374 -0.018 -3.554 140 HA ARG 18 HA ARG 18 6.620 0.095 -6.369 141 1HB ARG 18 HB2 ARG 18 8.346 -1.510 -5.664 142 2HB ARG 18 HB1 ARG 18 7.186 -2.285 -4.595 143 1HG ARG 18 HG2 ARG 18 5.911 -3.098 -6.405 144 2HG ARG 18 HG1 ARG 18 6.756 -2.065 -7.559 145 1HD ARG 18 HD2 ARG 18 8.311 -3.618 -7.888 146 2HD ARG 18 HD1 ARG 18 8.641 -3.714 -6.158 147 HE ARG 18 HE ARG 18 6.380 -5.164 -6.425 148 1HH1 ARG 18 HH11 ARG 18 9.457 -5.243 -8.069 149 2HH1 ARG 18 HH12 ARG 18 9.381 -6.942 -8.394 150 1HH2 ARG 18 HH21 ARG 18 6.278 -7.398 -6.851 151 2HH2 ARG 18 HH22 ARG 18 7.576 -8.166 -7.703 152 H SER 19 HN SER 19 5.443 -1.768 -3.554 153 HA SER 19 HA SER 19 2.742 -0.942 -3.930 154 1HB SER 19 HB2 SER 19 2.040 -3.444 -4.405 155 2HB SER 19 HB1 SER 19 2.461 -2.361 -5.732 156 HG SER 19 HG SER 19 3.497 -4.490 -5.733 157 H GLY 20 HN GLY 20 1.247 -2.027 -2.435 158 1HA GLY 20 HA2 GLY 20 2.593 -3.498 -0.273 159 2HA GLY 20 HA1 GLY 20 1.712 -2.028 0.112 160 H LYS 21 HN LYS 21 0.453 -3.373 1.533 161 HA LYS 21 HA LYS 21 -2.031 -4.092 0.439 162 1HB LYS 21 HB2 LYS 21 -0.481 -6.048 -0.262 163 2HB LYS 21 HB1 LYS 21 -0.563 -6.520 1.430 164 1HG LYS 21 HG2 LYS 21 -3.127 -5.990 0.051 165 2HG LYS 21 HG1 LYS 21 -2.244 -7.448 -0.404 166 1HD LYS 21 HD2 LYS 21 -2.653 -8.460 1.568 167 2HD LYS 21 HD1 LYS 21 -2.441 -6.970 2.490 168 1HE LYS 21 HE2 LYS 21 -4.660 -7.079 2.786 169 2HE LYS 21 HE1 LYS 21 -4.750 -6.456 1.140 170 1HZ LYS 21 HZ1 LYS 21 -6.072 -8.285 0.966 171 2HZ LYS 21 HZ2 LYS 21 -5.221 -9.172 2.127 172 3HZ LYS 21 HZ3 LYS 21 -4.587 -8.993 0.570 173 H CYS 22 HN CYS 22 -3.577 -4.330 2.018 174 HA CYS 22 HA CYS 22 -2.831 -3.533 4.662 175 1HB CYS 22 HB2 CYS 22 -4.961 -2.864 3.496 176 2HB CYS 22 HB1 CYS 22 -5.534 -4.512 3.729 177 H ILE 23 HN ILE 23 -1.460 -5.259 5.323 178 HA ILE 23 HA ILE 23 -2.770 -7.836 5.782 179 HB ILE 23 HB ILE 23 -0.567 -7.844 4.656 180 1HG1 ILE 23 HG12 ILE 23 0.511 -9.349 6.633 181 2HG1 ILE 23 HG11 ILE 23 -1.157 -9.253 7.191 182 1HG2 ILE 23 HG21 ILE 23 0.155 -5.875 6.319 183 2HG2 ILE 23 HG22 ILE 23 1.315 -6.917 5.495 184 3HG2 ILE 23 HG23 ILE 23 0.865 -7.248 7.168 185 1HD1 ILE 23 HD11 ILE 23 -0.055 -10.510 4.725 186 2HD1 ILE 23 HD12 ILE 23 -1.729 -9.955 4.759 187 3HD1 ILE 23 HD13 ILE 23 -1.177 -11.164 5.918 188 H ASN 24 HN ASN 24 -3.209 -8.606 7.777 189 HA ASN 24 HA ASN 24 -3.662 -8.558 10.011 190 1HB ASN 24 HB2 ASN 24 -0.816 -7.623 9.881 191 2HB ASN 24 HB1 ASN 24 -1.657 -7.753 11.421 192 1HD2 ASN 24 HD21 ASN 24 -0.534 -9.424 12.270 193 2HD2 ASN 24 HD22 ASN 24 -0.525 -11.019 11.606 194 H ASN 25 HN ASN 25 -4.785 -6.441 8.696 195 HA ASN 25 HA ASN 25 -5.786 -4.428 9.044 196 1HB ASN 25 HB2 ASN 25 -5.283 -5.521 11.691 197 2HB ASN 25 HB1 ASN 25 -5.286 -3.760 11.705 198 1HD2 ASN 25 HD21 ASN 25 -7.180 -5.956 12.631 199 2HD2 ASN 25 HD22 ASN 25 -8.718 -5.452 12.025 200 H ALA 26 HN ALA 26 -2.916 -4.609 8.329 201 HA ALA 26 HA ALA 26 -2.218 -1.838 8.982 202 1HB ALA 26 HB1 ALA 26 0.247 -2.887 8.965 203 2HB ALA 26 HB2 ALA 26 -0.647 -4.256 9.626 204 3HB ALA 26 HB3 ALA 26 -0.707 -2.690 10.435 205 H CYS 27 HN CYS 27 -1.417 -0.696 7.306 206 HA CYS 27 HA CYS 27 -1.487 -1.905 4.697 207 1HB CYS 27 HB2 CYS 27 -2.365 0.337 4.972 208 2HB CYS 27 HB1 CYS 27 -0.824 0.905 5.603 209 H LYS 28 HN LYS 28 0.228 -3.400 4.762 210 HA LYS 28 HA LYS 28 2.922 -2.496 5.264 211 1HB LYS 28 HB2 LYS 28 1.834 -4.876 5.621 212 2HB LYS 28 HB1 LYS 28 2.321 -5.111 3.948 213 1HG LYS 28 HG2 LYS 28 4.265 -5.788 4.798 214 2HG LYS 28 HG1 LYS 28 4.590 -4.075 5.067 215 1HD LYS 28 HD2 LYS 28 3.352 -4.431 7.308 216 2HD LYS 28 HD1 LYS 28 3.640 -6.147 7.014 217 1HE LYS 28 HE2 LYS 28 5.493 -5.573 8.258 218 2HE LYS 28 HE1 LYS 28 6.097 -5.383 6.612 219 1HZ LYS 28 HZ1 LYS 28 5.052 -2.944 7.193 220 2HZ LYS 28 HZ2 LYS 28 6.691 -3.354 7.265 221 3HZ LYS 28 HZ3 LYS 28 5.744 -3.412 8.665 222 H CYS 29 HN CYS 29 3.917 -1.272 3.806 223 HA CYS 29 HA CYS 29 3.348 -1.660 0.974 224 1HB CYS 29 HB2 CYS 29 3.118 0.591 1.574 225 2HB CYS 29 HB1 CYS 29 4.587 0.558 2.520 226 H TYR 30 HN TYR 30 5.090 -1.672 -0.573 227 HA TYR 30 HA TYR 30 7.650 -2.643 0.490 228 1HB TYR 30 HB2 TYR 30 6.448 -3.886 -1.967 229 2HB TYR 30 HB1 TYR 30 7.713 -4.514 -0.917 230 HD1 TYR 30 HD1 TYR 30 4.596 -5.249 -1.931 231 HD2 TYR 30 HD2 TYR 30 6.665 -4.520 1.715 232 HE1 TYR 30 HE1 TYR 30 2.918 -6.577 -0.720 233 HE2 TYR 30 HE2 TYR 30 4.994 -5.848 2.936 234 HH TYR 30 HH TYR 30 2.813 -7.889 1.434 235 HA PRO 31 HA PRO 31 9.195 0.391 -2.376 236 1HB PRO 31 HB2 PRO 31 11.819 -0.272 -2.278 237 2HB PRO 31 HB1 PRO 31 11.002 0.578 -0.961 238 1HG PRO 31 HG2 PRO 31 11.655 -2.333 -1.220 239 2HG PRO 31 HG1 PRO 31 11.827 -1.269 0.189 240 1HD PRO 31 HD2 PRO 31 9.746 -2.978 -0.105 241 2HD PRO 31 HD1 PRO 31 9.594 -1.422 0.735 242 H TYR 32 HN TYR 32 11.046 0.278 -4.195 243 HA TYR 32 HA TYR 32 10.246 -1.931 -5.961 244 1HB TYR 32 HB2 TYR 32 9.897 0.586 -6.547 245 2HB TYR 32 HB1 TYR 32 11.619 0.564 -6.909 246 HD1 TYR 32 HD1 TYR 32 8.315 -0.331 -8.052 247 HD2 TYR 32 HD2 TYR 32 12.471 -0.973 -8.698 248 HE1 TYR 32 HE1 TYR 32 7.823 -1.221 -10.290 249 HE2 TYR 32 HE2 TYR 32 11.990 -1.865 -10.939 250 HH TYR 32 HH TYR 32 9.824 -3.029 -12.032 Start of MODEL 20 1 1H ALA 1 HT1 ALA 1 -13.740 4.704 10.164 2 2H ALA 1 HT2 ALA 1 -13.347 6.213 9.447 3 3H ALA 1 HT3 ALA 1 -12.133 5.295 10.239 4 HA ALA 1 HA ALA 1 -13.625 4.278 7.932 5 1HB ALA 1 HB1 ALA 1 -12.682 6.187 7.000 6 2HB ALA 1 HB2 ALA 1 -11.473 4.944 6.683 7 3HB ALA 1 HB3 ALA 1 -11.238 6.085 8.006 8 H VAL 2 HN VAL 2 -12.126 2.732 6.748 9 HA VAL 2 HA VAL 2 -10.527 1.209 8.706 10 HB VAL 2 HB VAL 2 -11.657 -0.273 6.412 11 1HG1 VAL 2 HG11 VAL 2 -10.440 -0.844 8.871 12 2HG1 VAL 2 HG12 VAL 2 -11.085 -1.989 7.696 13 3HG1 VAL 2 HG13 VAL 2 -12.105 -1.407 9.011 14 1HG2 VAL 2 HG21 VAL 2 -13.624 0.975 6.909 15 2HG2 VAL 2 HG22 VAL 2 -13.391 0.770 8.645 16 3HG2 VAL 2 HG23 VAL 2 -13.821 -0.616 7.644 17 H CYS 3 HN CYS 3 -8.991 -0.332 7.603 18 HA CYS 3 HA CYS 3 -7.178 1.149 6.029 19 1HB CYS 3 HB2 CYS 3 -6.425 -0.629 7.520 20 2HB CYS 3 HB1 CYS 3 -7.298 -1.825 6.570 21 H VAL 4 HN VAL 4 -7.294 1.604 3.943 22 HA VAL 4 HA VAL 4 -8.878 -0.142 2.190 23 HB VAL 4 HB VAL 4 -7.865 2.609 1.494 24 1HG1 VAL 4 HG11 VAL 4 -8.573 1.229 -0.379 25 2HG1 VAL 4 HG12 VAL 4 -9.712 2.551 -0.123 26 3HG1 VAL 4 HG13 VAL 4 -10.119 0.921 0.412 27 1HG2 VAL 4 HG21 VAL 4 -10.138 1.809 3.208 28 2HG2 VAL 4 HG22 VAL 4 -10.457 3.060 2.006 29 3HG2 VAL 4 HG23 VAL 4 -9.185 3.293 3.205 30 H TYR 5 HN TYR 5 -7.952 -1.285 0.607 31 HA TYR 5 HA TYR 5 -5.129 -1.517 0.476 32 1HB TYR 5 HB2 TYR 5 -6.622 -3.413 0.075 33 2HB TYR 5 HB1 TYR 5 -7.231 -2.617 -1.367 34 HD1 TYR 5 HD1 TYR 5 -4.104 -3.955 0.135 35 HD2 TYR 5 HD2 TYR 5 -6.209 -2.988 -3.433 36 HE1 TYR 5 HE1 TYR 5 -2.329 -5.019 -1.193 37 HE2 TYR 5 HE2 TYR 5 -4.440 -4.049 -4.771 38 HH TYR 5 HH TYR 5 -2.290 -6.140 -3.651 39 H ARG 6 HN ARG 6 -7.541 -0.152 -1.736 40 HA ARG 6 HA ARG 6 -5.681 0.561 -3.742 41 1HB ARG 6 HB2 ARG 6 -8.342 0.357 -3.707 42 2HB ARG 6 HB1 ARG 6 -8.195 2.092 -3.480 43 1HG ARG 6 HG2 ARG 6 -6.872 2.258 -5.523 44 2HG ARG 6 HG1 ARG 6 -7.012 0.514 -5.752 45 1HD ARG 6 HD2 ARG 6 -9.478 0.777 -5.836 46 2HD ARG 6 HD1 ARG 6 -9.260 2.524 -5.746 47 HE ARG 6 HE ARG 6 -7.731 1.628 -7.879 48 1HH1 ARG 6 HH11 ARG 6 -11.101 1.722 -6.980 49 2HH1 ARG 6 HH12 ARG 6 -11.664 1.812 -8.615 50 1HH2 ARG 6 HH21 ARG 6 -8.469 1.746 -10.030 51 2HH2 ARG 6 HH22 ARG 6 -10.170 1.825 -10.347 52 H THR 7 HN THR 7 -7.015 2.288 -0.972 53 HA THR 7 HA THR 7 -5.889 4.811 -1.714 54 HB THR 7 HB THR 7 -6.630 4.122 1.107 55 HG1 THR 7 HG1 THR 7 -8.513 4.692 -0.930 56 1HG2 THR 7 HG21 THR 7 -5.963 6.368 0.851 57 2HG2 THR 7 HG22 THR 7 -7.724 6.375 0.949 58 3HG2 THR 7 HG23 THR 7 -6.927 6.563 -0.613 59 H CYS 8 HN CYS 8 -5.006 2.190 0.464 60 HA CYS 8 HA CYS 8 -2.691 3.487 1.512 61 1HB CYS 8 HB2 CYS 8 -3.964 1.525 2.549 62 2HB CYS 8 HB1 CYS 8 -3.113 0.502 1.396 63 H ASP 9 HN ASP 9 -3.328 1.367 -1.204 64 HA ASP 9 HA ASP 9 -0.627 0.832 -1.859 65 1HB ASP 9 HB2 ASP 9 -2.545 -0.540 -2.646 66 2HB ASP 9 HB1 ASP 9 -3.043 0.796 -3.679 67 H LYS 10 HN LYS 10 -3.004 3.149 -3.153 68 HA LYS 10 HA LYS 10 -1.279 4.347 -5.020 69 1HB LYS 10 HB2 LYS 10 -3.940 4.723 -4.100 70 2HB LYS 10 HB1 LYS 10 -3.133 6.283 -4.090 71 1HG LYS 10 HG2 LYS 10 -2.451 5.862 -6.450 72 2HG LYS 10 HG1 LYS 10 -3.460 4.415 -6.423 73 1HD LYS 10 HD2 LYS 10 -5.432 5.723 -6.034 74 2HD LYS 10 HD1 LYS 10 -4.474 7.189 -5.814 75 1HE LYS 10 HE2 LYS 10 -4.556 7.598 -7.995 76 2HE LYS 10 HE1 LYS 10 -3.821 6.033 -8.339 77 1HZ LYS 10 HZ1 LYS 10 -5.965 6.277 -9.429 78 2HZ LYS 10 HZ2 LYS 10 -6.723 6.521 -7.937 79 3HZ LYS 10 HZ3 LYS 10 -6.012 5.027 -8.289 80 H ASP 11 HN ASP 11 -2.212 5.419 -1.751 81 HA ASP 11 HA ASP 11 -0.617 7.697 -1.636 82 1HB ASP 11 HB2 ASP 11 -2.387 6.522 0.045 83 2HB ASP 11 HB1 ASP 11 -0.876 6.165 0.866 84 H CYS 12 HN CYS 12 0.104 4.398 -0.532 85 HA CYS 12 HA CYS 12 2.740 4.961 0.307 86 1HB CYS 12 HB2 CYS 12 1.272 2.933 0.878 87 2HB CYS 12 HB1 CYS 12 1.805 2.268 -0.661 88 H LYS 13 HN LYS 13 1.372 3.911 -2.769 89 HA LYS 13 HA LYS 13 3.754 3.253 -4.086 90 1HB LYS 13 HB2 LYS 13 1.005 3.992 -4.906 91 2HB LYS 13 HB1 LYS 13 2.256 4.208 -6.122 92 1HG LYS 13 HG2 LYS 13 2.737 1.948 -6.221 93 2HG LYS 13 HG1 LYS 13 2.038 1.628 -4.632 94 1HD LYS 13 HD2 LYS 13 0.333 0.823 -5.891 95 2HD LYS 13 HD1 LYS 13 -0.148 2.521 -5.891 96 1HE LYS 13 HE2 LYS 13 1.666 1.421 -8.010 97 2HE LYS 13 HE1 LYS 13 -0.084 1.247 -8.134 98 1HZ LYS 13 HZ1 LYS 13 -0.357 3.422 -8.571 99 2HZ LYS 13 HZ2 LYS 13 1.255 3.341 -9.074 100 3HZ LYS 13 HZ3 LYS 13 0.881 3.918 -7.529 101 H ARG 14 HN ARG 14 2.087 6.341 -3.692 102 HA ARG 14 HA ARG 14 3.917 7.803 -5.335 103 1HB ARG 14 HB2 ARG 14 1.593 8.434 -3.612 104 2HB ARG 14 HB1 ARG 14 2.760 9.729 -3.840 105 1HG ARG 14 HG2 ARG 14 2.475 8.969 -6.384 106 2HG ARG 14 HG1 ARG 14 0.892 8.494 -5.765 107 1HD ARG 14 HD2 ARG 14 1.103 10.940 -4.669 108 2HD ARG 14 HD1 ARG 14 2.069 11.180 -6.125 109 HE ARG 14 HE ARG 14 -0.178 10.012 -7.068 110 1HH1 ARG 14 HH11 ARG 14 0.385 12.774 -5.011 111 2HH1 ARG 14 HH12 ARG 14 -1.039 13.610 -5.532 112 1HH2 ARG 14 HH21 ARG 14 -2.051 11.110 -7.755 113 2HH2 ARG 14 HH22 ARG 14 -2.423 12.665 -7.090 114 H ARG 15 HN ARG 15 4.271 6.443 -2.313 115 HA ARG 15 HA ARG 15 6.016 8.545 -1.291 116 1HB ARG 15 HB2 ARG 15 4.252 6.966 0.010 117 2HB ARG 15 HB1 ARG 15 5.716 6.013 0.211 118 1HG ARG 15 HG2 ARG 15 6.669 7.516 1.604 119 2HG ARG 15 HG1 ARG 15 5.926 8.900 0.799 120 1HD ARG 15 HD2 ARG 15 3.745 8.207 1.804 121 2HD ARG 15 HD1 ARG 15 4.621 6.989 2.729 122 HE ARG 15 HE ARG 15 5.668 9.640 3.058 123 1HH1 ARG 15 HH11 ARG 15 3.265 7.367 4.170 124 2HH1 ARG 15 HH12 ARG 15 3.101 8.110 5.725 125 1HH2 ARG 15 HH21 ARG 15 5.454 10.618 5.103 126 2HH2 ARG 15 HH22 ARG 15 4.344 9.956 6.256 127 H GLY 16 HN GLY 16 6.625 6.733 -3.632 128 1HA GLY 16 HA2 GLY 16 8.615 5.960 -4.498 129 2HA GLY 16 HA1 GLY 16 9.357 6.256 -2.937 130 H TYR 17 HN TYR 17 6.709 4.133 -4.019 131 HA TYR 17 HA TYR 17 8.277 1.822 -3.130 132 1HB TYR 17 HB2 TYR 17 5.446 2.467 -2.296 133 2HB TYR 17 HB1 TYR 17 6.174 0.875 -2.109 134 HD1 TYR 17 HD1 TYR 17 6.337 4.394 -1.006 135 HD2 TYR 17 HD2 TYR 17 7.716 0.424 -0.344 136 HE1 TYR 17 HE1 TYR 17 7.286 5.090 1.153 137 HE2 TYR 17 HE2 TYR 17 8.669 1.109 1.817 138 HH TYR 17 HH TYR 17 8.304 2.904 3.504 139 H ARG 18 HN ARG 18 7.093 -0.272 -3.807 140 HA ARG 18 HA ARG 18 6.219 0.109 -6.582 141 1HB ARG 18 HB2 ARG 18 8.213 -1.451 -5.674 142 2HB ARG 18 HB1 ARG 18 6.886 -2.603 -5.592 143 1HG ARG 18 HG2 ARG 18 6.554 -1.488 -8.074 144 2HG ARG 18 HG1 ARG 18 8.309 -1.544 -7.902 145 1HD ARG 18 HD2 ARG 18 8.364 -3.832 -7.807 146 2HD ARG 18 HD1 ARG 18 6.738 -3.950 -7.134 147 HE ARG 18 HE ARG 18 6.600 -2.956 -9.765 148 1HH1 ARG 18 HH11 ARG 18 7.289 -5.902 -8.026 149 2HH1 ARG 18 HH12 ARG 18 6.775 -6.933 -9.318 150 1HH2 ARG 18 HH21 ARG 18 5.923 -4.311 -11.466 151 2HH2 ARG 18 HH22 ARG 18 6.000 -6.030 -11.272 152 H SER 19 HN SER 19 5.549 -2.147 -3.890 153 HA SER 19 HA SER 19 2.710 -2.057 -4.664 154 1HB SER 19 HB2 SER 19 4.343 -4.509 -3.981 155 2HB SER 19 HB1 SER 19 2.581 -4.497 -4.063 156 HG SER 19 HG SER 19 2.797 -4.753 -6.125 157 H GLY 20 HN GLY 20 1.378 -3.234 -2.846 158 1HA GLY 20 HA2 GLY 20 2.416 -2.959 -0.178 159 2HA GLY 20 HA1 GLY 20 1.298 -1.675 -0.611 160 H LYS 21 HN LYS 21 0.846 -3.481 1.482 161 HA LYS 21 HA LYS 21 -1.709 -4.549 0.645 162 1HB LYS 21 HB2 LYS 21 0.626 -6.263 1.174 163 2HB LYS 21 HB1 LYS 21 -0.833 -6.729 2.038 164 1HG LYS 21 HG2 LYS 21 -2.035 -6.702 -0.157 165 2HG LYS 21 HG1 LYS 21 -0.468 -6.473 -0.936 166 1HD LYS 21 HD2 LYS 21 0.234 -8.570 0.414 167 2HD LYS 21 HD1 LYS 21 -1.501 -8.844 0.576 168 1HE LYS 21 HE2 LYS 21 -0.732 -8.206 -2.151 169 2HE LYS 21 HE1 LYS 21 0.104 -9.632 -1.538 170 1HZ LYS 21 HZ1 LYS 21 -1.890 -10.385 -2.502 171 2HZ LYS 21 HZ2 LYS 21 -2.818 -9.190 -1.746 172 3HZ LYS 21 HZ3 LYS 21 -2.150 -10.446 -0.831 173 H CYS 22 HN CYS 22 -2.975 -5.371 2.514 174 HA CYS 22 HA CYS 22 -2.151 -4.047 5.015 175 1HB CYS 22 HB2 CYS 22 -4.096 -3.004 3.711 176 2HB CYS 22 HB1 CYS 22 -5.018 -4.433 4.168 177 H ILE 23 HN ILE 23 -1.735 -5.467 6.565 178 HA ILE 23 HA ILE 23 -3.414 -7.867 6.764 179 HB ILE 23 HB ILE 23 -0.453 -7.844 7.328 180 1HG1 ILE 23 HG12 ILE 23 -0.910 -7.508 4.918 181 2HG1 ILE 23 HG11 ILE 23 -0.157 -9.066 5.243 182 1HG2 ILE 23 HG21 ILE 23 -1.135 -9.632 8.527 183 2HG2 ILE 23 HG22 ILE 23 -1.107 -10.421 6.950 184 3HG2 ILE 23 HG23 ILE 23 -2.628 -9.816 7.607 185 1HD1 ILE 23 HD11 ILE 23 -2.128 -10.234 4.824 186 2HD1 ILE 23 HD12 ILE 23 -2.087 -8.986 3.579 187 3HD1 ILE 23 HD13 ILE 23 -3.127 -8.791 4.990 188 H ASN 24 HN ASN 24 -4.328 -8.110 8.692 189 HA ASN 24 HA ASN 24 -4.941 -7.657 10.846 190 1HB ASN 24 HB2 ASN 24 -1.968 -7.818 11.314 191 2HB ASN 24 HB1 ASN 24 -3.239 -8.111 12.494 192 1HD2 ASN 24 HD21 ASN 24 -1.038 -9.624 10.708 193 2HD2 ASN 24 HD22 ASN 24 -1.823 -11.140 10.441 194 H ASN 25 HN ASN 25 -5.220 -5.395 9.734 195 HA ASN 25 HA ASN 25 -5.210 -3.125 9.934 196 1HB ASN 25 HB2 ASN 25 -5.441 -4.213 12.489 197 2HB ASN 25 HB1 ASN 25 -4.208 -2.968 12.659 198 1HD2 ASN 25 HD21 ASN 25 -6.680 -2.829 13.903 199 2HD2 ASN 25 HD22 ASN 25 -7.572 -1.511 13.230 200 H ALA 26 HN ALA 26 -2.668 -4.545 9.215 201 HA ALA 26 HA ALA 26 -0.845 -2.307 9.794 202 1HB ALA 26 HB1 ALA 26 0.983 -3.740 10.132 203 2HB ALA 26 HB2 ALA 26 0.119 -5.135 9.483 204 3HB ALA 26 HB3 ALA 26 -0.336 -4.467 11.051 205 H CYS 27 HN CYS 27 -0.856 -1.245 7.893 206 HA CYS 27 HA CYS 27 -0.850 -2.694 5.385 207 1HB CYS 27 HB2 CYS 27 -2.057 -0.433 5.983 208 2HB CYS 27 HB1 CYS 27 -0.503 0.270 5.551 209 H LYS 28 HN LYS 28 1.001 -3.534 4.710 210 HA LYS 28 HA LYS 28 3.499 -2.068 5.197 211 1HB LYS 28 HB2 LYS 28 2.856 -4.754 5.529 212 2HB LYS 28 HB1 LYS 28 3.791 -4.726 4.041 213 1HG LYS 28 HG2 LYS 28 5.705 -4.050 5.090 214 2HG LYS 28 HG1 LYS 28 4.835 -3.241 6.395 215 1HD LYS 28 HD2 LYS 28 4.085 -5.823 6.783 216 2HD LYS 28 HD1 LYS 28 5.720 -6.034 6.155 217 1HE LYS 28 HE2 LYS 28 5.225 -4.019 8.298 218 2HE LYS 28 HE1 LYS 28 5.300 -5.728 8.725 219 1HZ LYS 28 HZ1 LYS 28 7.458 -4.675 8.935 220 2HZ LYS 28 HZ2 LYS 28 7.421 -4.200 7.313 221 3HZ LYS 28 HZ3 LYS 28 7.494 -5.842 7.711 222 H CYS 29 HN CYS 29 5.129 -2.121 3.443 223 HA CYS 29 HA CYS 29 3.892 -2.126 0.776 224 1HB CYS 29 HB2 CYS 29 4.924 0.111 2.181 225 2HB CYS 29 HB1 CYS 29 5.997 -0.219 0.828 226 H TYR 30 HN TYR 30 5.517 -2.223 -1.001 227 HA TYR 30 HA TYR 30 7.990 -3.597 -0.227 228 1HB TYR 30 HB2 TYR 30 6.393 -4.640 -2.541 229 2HB TYR 30 HB1 TYR 30 7.625 -5.455 -1.584 230 HD1 TYR 30 HD1 TYR 30 6.839 -5.383 1.101 231 HD2 TYR 30 HD2 TYR 30 4.321 -5.610 -2.321 232 HE1 TYR 30 HE1 TYR 30 5.083 -6.427 2.469 233 HE2 TYR 30 HE2 TYR 30 2.558 -6.654 -0.962 234 HH TYR 30 HH TYR 30 2.683 -8.125 1.399 235 HA PRO 31 HA PRO 31 9.078 -0.475 -3.358 236 1HB PRO 31 HB2 PRO 31 11.625 -0.130 -2.546 237 2HB PRO 31 HB1 PRO 31 10.262 0.619 -1.706 238 1HG PRO 31 HG2 PRO 31 11.791 -1.858 -1.004 239 2HG PRO 31 HG1 PRO 31 11.239 -0.547 0.055 240 1HD PRO 31 HD2 PRO 31 9.928 -2.923 -0.184 241 2HD PRO 31 HD1 PRO 31 9.110 -1.397 0.206 242 H TYR 32 HN TYR 32 11.487 -0.386 -4.516 243 HA TYR 32 HA TYR 32 11.572 -2.879 -5.994 244 1HB TYR 32 HB2 TYR 32 12.091 -0.145 -6.581 245 2HB TYR 32 HB1 TYR 32 13.580 -1.038 -6.871 246 HD1 TYR 32 HD1 TYR 32 10.098 -2.252 -7.325 247 HD2 TYR 32 HD2 TYR 32 13.707 -1.028 -9.215 248 HE1 TYR 32 HE1 TYR 32 9.213 -3.008 -9.491 249 HE2 TYR 32 HE2 TYR 32 12.832 -1.780 -11.386 250 HH TYR 32 HH TYR 32 9.544 -2.645 -11.844
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