NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
542732 | 2lr5 | 18347 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -8.092 -1.937 -3.632 2 H2 GLY 1 2HT GLY 1 -7.932 -0.277 -3.327 3 H3 GLY 1 3HT GLY 1 -9.277 -1.122 -2.741 4 HA2 GLY 1 1HA GLY 1 -7.939 -2.380 -1.236 5 HA3 GLY 1 2HA GLY 1 -6.482 -1.664 -1.915 6 H PHE 2 H PHE 2 -6.150 -1.142 0.426 7 HA PHE 2 HA PHE 2 -7.771 0.738 1.752 8 HB2 PHE 2 2HB PHE 2 -6.053 -0.685 2.860 9 HB3 PHE 2 1HB PHE 2 -4.799 0.289 2.102 10 HD1 PHE 2 1HD PHE 2 -7.795 0.644 4.285 11 HD2 PHE 2 2HD PHE 2 -3.923 2.079 3.256 12 HE1 PHE 2 1HE PHE 2 -7.878 2.211 6.180 13 HE2 PHE 2 2HE PHE 2 -3.997 3.649 5.149 14 HZ PHE 2 HZ PHE 2 -5.976 3.716 6.614 15 H GLY 3 H GLY 3 -4.709 1.192 -0.020 16 HA2 GLY 3 2HA GLY 3 -4.973 4.055 0.058 17 HA3 GLY 3 1HA GLY 3 -3.731 3.145 -0.787 18 H CYS 4 H CYS 4 -4.156 2.368 -2.900 19 HA CYS 4 HA CYS 4 -5.669 4.135 -4.498 20 HB2 CYS 4 2HB CYS 4 -5.225 2.022 -6.153 21 HB3 CYS 4 1HB CYS 4 -4.042 3.283 -5.820 22 HA PRO 5 HA PRO 5 -6.543 4.042 -6.517 23 HB2 PRO 5 2HB PRO 5 -9.166 4.763 -7.371 24 HB3 PRO 5 1HB PRO 5 -8.004 3.734 -8.209 25 HG2 PRO 5 2HG PRO 5 -10.416 2.876 -7.151 26 HG3 PRO 5 1HG PRO 5 -9.037 1.827 -7.515 27 HD2 PRO 5 2HD PRO 5 -9.903 2.978 -4.895 28 HD3 PRO 5 1HD PRO 5 -9.241 1.368 -5.257 29 H PHE 6 H PHE 6 -8.230 4.507 -3.738 30 HA PHE 6 HA PHE 6 -9.123 7.185 -3.980 31 HB2 PHE 6 2HB PHE 6 -8.363 5.667 -1.475 32 HB3 PHE 6 1HB PHE 6 -9.332 7.137 -1.546 33 HD1 PHE 6 1HD PHE 6 -9.282 3.530 -2.139 34 HD2 PHE 6 2HD PHE 6 -11.625 7.080 -2.302 35 HE1 PHE 6 1HE PHE 6 -11.319 2.170 -2.375 36 HE2 PHE 6 2HE PHE 6 -13.666 5.726 -2.538 37 HZ PHE 6 HZ PHE 6 -13.514 3.267 -2.575 38 H ASN 7 H ASN 7 -6.370 5.961 -2.046 39 HA ASN 7 HA ASN 7 -4.875 8.346 -2.866 40 HB2 ASN 7 2HB ASN 7 -6.020 8.517 -0.529 41 HB3 ASN 7 1HB ASN 7 -4.726 7.438 -0.012 42 HD21 ASN 7 1HD2 ASN 7 -5.231 10.164 0.787 43 HD22 ASN 7 2HD2 ASN 7 -3.822 11.071 0.370 44 H GLU 8 H GLU 8 -3.770 6.896 -4.243 45 HA GLU 8 HA GLU 8 -2.401 4.602 -3.357 46 HB2 GLU 8 2HB GLU 8 -2.912 5.577 -5.790 47 HB3 GLU 8 1HB GLU 8 -1.291 6.224 -5.601 48 HG2 GLU 8 2HG GLU 8 -1.957 3.311 -5.264 49 HG3 GLU 8 1HG GLU 8 -1.461 4.025 -6.796 50 H ASN 9 H ASN 9 -1.412 7.968 -3.739 51 HA ASN 9 HA ASN 9 1.272 7.754 -3.121 52 HB2 ASN 9 2HB ASN 9 -0.646 9.990 -2.417 53 HB3 ASN 9 1HB ASN 9 1.105 10.113 -2.324 54 HD21 ASN 9 1HD2 ASN 9 1.494 11.595 -3.855 55 HD22 ASN 9 2HD2 ASN 9 1.088 11.410 -5.524 56 H GLU 10 H GLU 10 -1.501 7.966 -0.936 57 HA GLU 10 HA GLU 10 0.039 8.147 1.441 58 HB2 GLU 10 2HB GLU 10 -2.377 8.760 1.309 59 HB3 GLU 10 1HB GLU 10 -2.766 7.055 1.145 60 HG2 GLU 10 2HG GLU 10 -1.215 8.037 3.507 61 HG3 GLU 10 1HG GLU 10 -2.968 8.190 3.456 62 H CYS 11 H CYS 11 -1.744 5.402 0.003 63 HA CYS 11 HA CYS 11 -0.843 3.447 1.774 64 HB2 CYS 11 2HB CYS 11 -2.597 2.872 0.291 65 HB3 CYS 11 1HB CYS 11 -1.659 3.322 -1.123 66 H HIS 12 H HIS 12 0.560 4.584 -1.236 67 HA HIS 12 HA HIS 12 2.728 2.827 -1.387 68 HB2 HIS 12 2HB HIS 12 1.737 4.781 -2.977 69 HB3 HIS 12 1HB HIS 12 3.158 5.596 -2.330 70 HD1 HIS 12 1HD HIS 12 2.086 3.015 -4.730 71 HD2 HIS 12 2HD HIS 12 5.624 4.360 -3.003 72 HE1 HIS 12 1HE HIS 12 3.948 2.026 -6.118 73 HE2 HIS 12 2HE HIS 12 6.054 3.039 -5.186 74 H ALA 13 H ALA 13 2.634 6.177 -0.130 75 HA ALA 13 HA ALA 13 5.303 6.175 0.785 76 HB1 ALA 13 1HB ALA 13 4.028 8.234 0.412 77 HB2 ALA 13 2HB ALA 13 4.697 8.173 2.042 78 HB3 ALA 13 3HB ALA 13 2.986 7.836 1.779 79 H HIS 14 H HIS 14 2.253 5.312 2.319 80 HA HIS 14 HA HIS 14 3.143 5.023 4.956 81 HB2 HIS 14 2HB HIS 14 0.756 4.950 4.096 82 HB3 HIS 14 1HB HIS 14 1.068 3.296 3.592 83 HD1 HIS 14 1HD HIS 14 2.012 4.947 6.879 84 HD2 HIS 14 2HD HIS 14 -0.341 1.864 5.394 85 HE1 HIS 14 1HE HIS 14 1.138 3.737 8.901 86 HE2 HIS 14 2HE HIS 14 -0.488 2.051 7.969 87 H CYS 15 H CYS 15 2.801 2.567 2.410 88 HA CYS 15 HA CYS 15 3.967 0.447 3.814 89 HB2 CYS 15 2HB CYS 15 2.729 -0.065 1.853 90 HB3 CYS 15 1HB CYS 15 3.685 1.040 0.871 91 H LEU 16 H LEU 16 5.340 2.913 1.763 92 HA LEU 16 HA LEU 16 7.980 1.955 1.646 93 HB2 LEU 16 2HB LEU 16 6.566 4.470 1.077 94 HB3 LEU 16 1HB LEU 16 8.259 4.660 1.483 95 HG LEU 16 HG LEU 16 8.941 3.304 -0.378 96 HD11 LEU 16 1HD1 LEU 16 7.174 1.615 -0.238 97 HD12 LEU 16 2HD1 LEU 16 7.355 2.232 -1.881 98 HD13 LEU 16 3HD1 LEU 16 6.013 2.780 -0.877 99 HD21 LEU 16 3HD2 LEU 16 6.772 5.252 -1.147 100 HD22 LEU 16 1HD2 LEU 16 7.917 4.542 -2.285 101 HD23 LEU 16 2HD2 LEU 16 8.497 5.582 -0.981 102 H SER 17 H SER 17 6.228 3.638 4.107 103 HA SER 17 HA SER 17 8.561 4.539 5.529 104 HB2 SER 17 2HB SER 17 5.673 4.435 6.422 105 HB3 SER 17 1HB SER 17 6.978 5.299 7.235 106 HG SER 17 HG SER 17 6.151 5.790 4.559 107 H ILE 18 H ILE 18 6.809 1.557 5.403 108 HA ILE 18 HA ILE 18 7.749 0.874 8.091 109 HB ILE 18 HB ILE 18 6.518 -1.325 7.683 110 HG12 ILE 18 2HG1 ILE 18 5.180 0.317 5.526 111 HG13 ILE 18 1HG1 ILE 18 6.277 -1.027 5.224 112 HG21 ILE 18 1HG2 ILE 18 4.951 1.248 7.833 113 HG22 ILE 18 2HG2 ILE 18 5.737 0.431 9.184 114 HG23 ILE 18 3HG2 ILE 18 4.384 -0.336 8.354 115 HD11 ILE 18 3HD1 ILE 18 4.724 -2.534 6.368 116 HD12 ILE 18 1HD1 ILE 18 3.975 -1.726 4.990 117 HD13 ILE 18 2HD1 ILE 18 3.622 -1.183 6.631 118 H GLY 19 H GLY 19 9.588 1.249 5.923 119 HA2 GLY 19 2HA GLY 19 11.708 0.220 5.743 120 HA3 GLY 19 1HA GLY 19 10.975 -1.316 6.179 121 H ARG 20 H ARG 20 8.826 -1.149 4.304 122 HA ARG 20 HA ARG 20 10.036 -2.406 2.098 123 HB2 ARG 20 2HB ARG 20 7.268 -1.297 2.520 124 HB3 ARG 20 1HB ARG 20 7.737 -2.126 1.042 125 HG2 ARG 20 2HG ARG 20 6.759 -3.811 2.269 126 HG3 ARG 20 1HG ARG 20 8.472 -4.032 2.626 127 HD2 ARG 20 2HD ARG 20 8.240 -2.969 4.752 128 HD3 ARG 20 1HD ARG 20 6.595 -2.456 4.377 129 HE ARG 20 HE ARG 20 6.357 -5.109 4.181 130 HH11 ARG 20 1HH1 ARG 20 7.860 -3.121 6.667 131 HH12 ARG 20 2HH1 ARG 20 7.553 -4.271 7.929 132 HH21 ARG 20 1HH2 ARG 20 5.956 -6.604 5.822 133 HH22 ARG 20 2HH2 ARG 20 6.468 -6.257 7.452 134 H LYS 21 H LYS 21 10.234 -1.729 -0.090 135 HA LYS 21 HA LYS 21 10.552 1.175 -0.324 136 HB2 LYS 21 2HB LYS 21 11.943 -1.111 -1.685 137 HB3 LYS 21 1HB LYS 21 12.016 0.525 -2.330 138 HG2 LYS 21 2HG LYS 21 12.876 -0.281 0.442 139 HG3 LYS 21 1HG LYS 21 13.958 -0.025 -0.929 140 HD2 LYS 21 2HD LYS 21 13.854 2.213 -0.742 141 HD3 LYS 21 1HD LYS 21 12.117 2.198 -0.429 142 HE2 LYS 21 2HE LYS 21 14.164 1.404 1.630 143 HE3 LYS 21 1HE LYS 21 13.587 3.059 1.443 144 HZ1 LYS 21 3HZ LYS 21 11.267 1.916 1.657 145 HZ2 LYS 21 1HZ LYS 21 12.178 2.255 3.042 146 HZ3 LYS 21 2HZ LYS 21 12.150 0.685 2.416 147 H PHE 22 H PHE 22 8.646 -1.382 -1.398 148 HA PHE 22 HA PHE 22 7.277 0.385 -3.256 149 HB2 PHE 22 2HB PHE 22 7.864 -2.432 -4.138 150 HB3 PHE 22 1HB PHE 22 7.191 -1.121 -5.082 151 HD1 PHE 22 1HD PHE 22 8.639 0.743 -5.829 152 HD2 PHE 22 2HD PHE 22 10.217 -2.754 -3.985 153 HE1 PHE 22 1HE PHE 22 10.869 1.288 -6.712 154 HE2 PHE 22 2HE PHE 22 12.451 -2.213 -4.862 155 HZ PHE 22 HZ PHE 22 12.780 -0.189 -6.228 156 H GLY 23 H GLY 23 5.164 -0.465 -3.833 157 HA2 GLY 23 2HA GLY 23 3.854 -2.662 -2.928 158 HA3 GLY 23 1HA GLY 23 3.880 -1.607 -1.521 159 H PHE 24 H PHE 24 1.594 -2.502 -2.904 160 HA PHE 24 HA PHE 24 0.458 0.086 -3.664 161 HB2 PHE 24 2HB PHE 24 -0.918 -1.098 -5.418 162 HB3 PHE 24 1HB PHE 24 0.795 -0.965 -5.796 163 HD1 PHE 24 1HD PHE 24 2.266 -2.992 -5.454 164 HD2 PHE 24 2HD PHE 24 -1.983 -3.178 -5.335 165 HE1 PHE 24 1HE PHE 24 2.366 -5.419 -5.841 166 HE2 PHE 24 2HE PHE 24 -1.891 -5.606 -5.718 167 HZ PHE 24 HZ PHE 24 0.285 -6.731 -5.972 168 H CYS 25 H CYS 25 -2.186 -0.745 -4.002 169 HA CYS 25 HA CYS 25 -2.800 -1.417 -1.251 170 HB2 CYS 25 2HB CYS 25 -5.205 -1.089 -2.102 171 HB3 CYS 25 1HB CYS 25 -4.149 0.320 -2.070 172 H ALA 26 H ALA 26 -3.877 -3.204 -0.518 173 HA ALA 26 HA ALA 26 -3.856 -5.485 -2.357 174 HB1 ALA 26 1HB ALA 26 -3.721 -6.883 -0.388 175 HB2 ALA 26 2HB ALA 26 -3.916 -5.475 0.657 176 HB3 ALA 26 3HB ALA 26 -2.464 -5.644 -0.335 177 H GLY 27 H GLY 27 -5.672 -6.353 -3.021 178 HA2 GLY 27 2HA GLY 27 -7.848 -7.150 -2.957 179 HA3 GLY 27 1HA GLY 27 -8.032 -6.434 -1.363 180 HA PRO 28 HA PRO 28 -10.066 -3.769 -4.706 181 HB2 PRO 28 2HB PRO 28 -12.656 -4.519 -4.435 182 HB3 PRO 28 1HB PRO 28 -11.548 -5.303 -5.566 183 HG2 PRO 28 2HG PRO 28 -12.466 -6.209 -2.873 184 HG3 PRO 28 1HG PRO 28 -12.192 -7.159 -4.344 185 HD2 PRO 28 2HD PRO 28 -10.421 -7.027 -2.256 186 HD3 PRO 28 1HD PRO 28 -9.952 -7.374 -3.931 187 H LEU 29 H LEU 29 -11.479 -4.836 -1.626 188 HA LEU 29 HA LEU 29 -12.658 -2.294 -1.038 189 HB2 LEU 29 2HB LEU 29 -12.140 -4.639 0.797 190 HB3 LEU 29 1HB LEU 29 -13.221 -3.297 1.114 191 HG LEU 29 HG LEU 29 -13.593 -5.281 -1.131 192 HD11 LEU 29 1HD1 LEU 29 -13.813 -6.370 1.040 193 HD12 LEU 29 2HD1 LEU 29 -15.377 -6.228 0.237 194 HD13 LEU 29 3HD1 LEU 29 -14.958 -5.131 1.553 195 HD21 LEU 29 3HD2 LEU 29 -15.422 -3.163 -0.002 196 HD22 LEU 29 1HD2 LEU 29 -15.840 -4.323 -1.264 197 HD23 LEU 29 2HD2 LEU 29 -14.602 -3.102 -1.562 198 H ARG 30 H ARG 30 -12.140 -1.176 1.069 199 HA ARG 30 HA ARG 30 -9.355 -0.472 1.079 200 HB2 ARG 30 2HB ARG 30 -11.688 0.469 2.754 201 HB3 ARG 30 1HB ARG 30 -10.062 1.121 2.892 202 HG2 ARG 30 2HG ARG 30 -10.934 1.154 0.151 203 HG3 ARG 30 1HG ARG 30 -12.094 1.977 1.194 204 HD2 ARG 30 2HD ARG 30 -9.146 2.526 1.346 205 HD3 ARG 30 1HD ARG 30 -10.195 3.371 0.209 206 HE ARG 30 HE ARG 30 -11.491 3.821 2.471 207 HH11 ARG 30 1HH1 ARG 30 -8.051 3.973 1.826 208 HH12 ARG 30 2HH1 ARG 30 -7.759 5.227 2.991 209 HH21 ARG 30 1HH2 ARG 30 -11.106 5.492 4.003 210 HH22 ARG 30 2HH2 ARG 30 -9.497 6.091 4.225 211 H ALA 31 H ALA 31 -8.835 -2.799 1.691 212 HA ALA 31 HA ALA 31 -9.127 -3.342 4.541 213 HB1 ALA 31 1HB ALA 31 -8.252 -5.553 4.030 214 HB2 ALA 31 2HB ALA 31 -7.926 -5.058 2.369 215 HB3 ALA 31 3HB ALA 31 -9.588 -5.150 2.952 216 H THR 32 H THR 32 -6.340 -3.939 2.397 217 HA THR 32 HA THR 32 -4.661 -2.300 4.135 218 HB THR 32 HB THR 32 -3.408 -4.880 3.530 219 HG1 THR 32 1HG THR 32 -5.702 -4.737 5.214 220 HG21 THR 32 3HG2 THR 32 -3.808 -3.327 6.093 221 HG22 THR 32 1HG2 THR 32 -2.417 -3.196 5.016 222 HG23 THR 32 2HG2 THR 32 -2.726 -4.702 5.879 223 H CYS 33 H CYS 33 -2.202 -3.190 3.136 224 HA CYS 33 HA CYS 33 -2.382 -2.591 0.266 225 HB2 CYS 33 2HB CYS 33 -0.543 -1.375 2.323 226 HB3 CYS 33 1HB CYS 33 -0.189 -1.326 0.601 227 H THR 34 H THR 34 -0.893 -3.599 -1.042 228 HA THR 34 HA THR 34 0.458 -5.908 0.151 229 HB THR 34 HB THR 34 0.655 -5.901 -2.683 230 HG1 THR 34 1HG THR 34 -1.157 -5.018 -3.284 231 HG21 THR 34 3HG2 THR 34 -0.701 -7.940 -2.486 232 HG22 THR 34 1HG2 THR 34 -1.088 -7.515 -0.818 233 HG23 THR 34 2HG2 THR 34 0.575 -7.891 -1.271 234 H CYS 35 H CYS 35 2.431 -5.215 0.833 235 HA CYS 35 HA CYS 35 4.004 -3.396 -0.738 236 HB2 CYS 35 2HB CYS 35 4.590 -4.956 1.778 237 HB3 CYS 35 1HB CYS 35 5.745 -3.862 1.020 238 H GLY 36 H GLY 36 5.986 -3.849 -1.731 239 HA2 GLY 36 2HA GLY 36 6.023 -6.186 -3.300 240 HA3 GLY 36 1HA GLY 36 7.330 -5.027 -3.160 241 H LYS 37 H LYS 37 7.316 -5.602 -0.181 242 HA LYS 37 HA LYS 37 8.621 -8.230 -0.293 243 HB2 LYS 37 2HB LYS 37 9.692 -5.655 0.783 244 HB3 LYS 37 1HB LYS 37 10.161 -7.164 1.557 245 HG2 LYS 37 2HG LYS 37 10.508 -6.536 -1.369 246 HG3 LYS 37 1HG LYS 37 11.777 -6.441 -0.144 247 HD2 LYS 37 2HD LYS 37 11.948 -8.715 0.050 248 HD3 LYS 37 1HD LYS 37 10.262 -8.986 -0.385 249 HE2 LYS 37 2HE LYS 37 12.451 -8.162 -2.290 250 HE3 LYS 37 1HE LYS 37 11.817 -9.797 -2.110 251 HZ1 LYS 37 3HZ LYS 37 10.483 -9.155 -3.782 252 HZ2 LYS 37 1HZ LYS 37 10.666 -7.505 -3.461 253 HZ3 LYS 37 2HZ LYS 37 9.568 -8.424 -2.559 254 H GLN 38 H GLN 38 5.997 -7.860 0.452 255 HA GLN 38 HA GLN 38 4.483 -8.404 2.044 256 HB2 GLN 38 2HB GLN 38 6.945 -9.611 3.311 257 HB3 GLN 38 1HB GLN 38 5.329 -9.804 3.977 258 HG2 GLN 38 2HG GLN 38 4.607 -10.881 1.905 259 HG3 GLN 38 1HG GLN 38 6.232 -10.697 1.248 260 HE21 GLN 38 1HE2 GLN 38 4.625 -13.098 1.784 261 HE22 GLN 38 2HE2 GLN 38 5.593 -14.085 2.818 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -10.322 1.024 -1.591 2 H2 GLY 1 2HT GLY 1 -9.178 2.230 -1.259 3 H3 GLY 1 3HT GLY 1 -10.735 2.336 -0.604 4 HA2 GLY 1 1HA GLY 1 -10.358 0.358 0.720 5 HA3 GLY 1 2HA GLY 1 -8.739 0.243 0.042 6 H PHE 2 H PHE 2 -7.658 0.484 1.982 7 HA PHE 2 HA PHE 2 -8.234 2.543 3.851 8 HB2 PHE 2 2HB PHE 2 -7.042 0.511 4.519 9 HB3 PHE 2 1HB PHE 2 -5.715 0.912 3.435 10 HD1 PHE 2 2HD PHE 2 -7.543 2.138 6.425 11 HD2 PHE 2 1HD PHE 2 -3.921 2.185 4.191 12 HE1 PHE 2 2HE PHE 2 -6.443 3.380 8.241 13 HE2 PHE 2 1HE PHE 2 -2.814 3.427 6.003 14 HZ PHE 2 HZ PHE 2 -4.076 4.026 8.031 15 H GLY 3 H GLY 3 -5.768 2.164 1.338 16 HA2 GLY 3 2HA GLY 3 -5.082 4.998 1.644 17 HA3 GLY 3 1HA GLY 3 -4.106 3.793 0.816 18 H CYS 4 H CYS 4 -4.729 3.099 -1.269 19 HA CYS 4 HA CYS 4 -5.536 5.121 -2.991 20 HB2 CYS 4 2HB CYS 4 -6.061 2.726 -4.335 21 HB3 CYS 4 1HB CYS 4 -4.556 3.639 -4.352 22 HA PRO 5 HA PRO 5 -6.289 5.327 -4.866 23 HB2 PRO 5 2HB PRO 5 -8.227 6.781 -6.208 24 HB3 PRO 5 1HB PRO 5 -7.712 5.145 -6.617 25 HG2 PRO 5 2HG PRO 5 -10.250 5.981 -5.613 26 HG3 PRO 5 1HG PRO 5 -9.714 4.333 -5.965 27 HD2 PRO 5 2HD PRO 5 -9.864 5.755 -3.375 28 HD3 PRO 5 1HD PRO 5 -9.906 4.012 -3.715 29 H PHE 6 H PHE 6 -8.094 6.719 -2.424 30 HA PHE 6 HA PHE 6 -7.574 9.480 -3.098 31 HB2 PHE 6 2HB PHE 6 -8.739 8.208 -0.620 32 HB3 PHE 6 1HB PHE 6 -8.594 9.944 -0.870 33 HD1 PHE 6 1HD PHE 6 -9.811 10.965 -2.855 34 HD2 PHE 6 2HD PHE 6 -10.584 7.035 -1.416 35 HE1 PHE 6 1HE PHE 6 -11.994 10.983 -3.989 36 HE2 PHE 6 2HE PHE 6 -12.769 7.046 -2.548 37 HZ PHE 6 HZ PHE 6 -13.475 9.022 -3.836 38 H ASN 7 H ASN 7 -6.630 7.385 -0.365 39 HA ASN 7 HA ASN 7 -4.433 9.241 0.221 40 HB2 ASN 7 2HB ASN 7 -6.141 8.398 1.976 41 HB3 ASN 7 1HB ASN 7 -5.244 6.884 1.917 42 HD21 ASN 7 1HD2 ASN 7 -4.323 6.894 3.881 43 HD22 ASN 7 2HD2 ASN 7 -3.204 8.092 4.430 44 H GLU 8 H GLU 8 -4.081 7.771 -2.048 45 HA GLU 8 HA GLU 8 -2.657 5.348 -1.589 46 HB2 GLU 8 2HB GLU 8 -3.781 6.433 -3.783 47 HB3 GLU 8 1HB GLU 8 -2.121 6.942 -4.045 48 HG2 GLU 8 2HG GLU 8 -2.973 4.094 -3.586 49 HG3 GLU 8 1HG GLU 8 -2.725 4.821 -5.171 50 H ASN 9 H ASN 9 -1.709 8.699 -2.202 51 HA ASN 9 HA ASN 9 1.050 8.296 -2.352 52 HB2 ASN 9 2HB ASN 9 -0.708 10.624 -1.767 53 HB3 ASN 9 1HB ASN 9 0.987 10.771 -1.313 54 HD21 ASN 9 1HD2 ASN 9 -0.786 11.962 -3.480 55 HD22 ASN 9 2HD2 ASN 9 0.144 11.756 -4.920 56 H GLU 10 H GLU 10 -1.041 8.629 0.470 57 HA GLU 10 HA GLU 10 1.174 8.811 2.282 58 HB2 GLU 10 2HB GLU 10 -1.152 9.704 2.742 59 HB3 GLU 10 1HB GLU 10 -1.650 8.040 3.006 60 HG2 GLU 10 2HG GLU 10 0.641 9.226 4.531 61 HG3 GLU 10 1HG GLU 10 -1.025 9.496 5.034 62 H CYS 11 H CYS 11 -1.233 6.241 1.548 63 HA CYS 11 HA CYS 11 -0.044 4.292 3.174 64 HB2 CYS 11 2HB CYS 11 -2.311 4.302 1.783 65 HB3 CYS 11 1HB CYS 11 -1.323 3.447 0.604 66 H HIS 12 H HIS 12 0.629 5.276 -0.123 67 HA HIS 12 HA HIS 12 2.429 3.202 -0.784 68 HB2 HIS 12 2HB HIS 12 1.243 5.159 -2.190 69 HB3 HIS 12 1HB HIS 12 2.816 5.912 -1.949 70 HD1 HIS 12 1HD HIS 12 1.053 3.389 -3.942 71 HD2 HIS 12 2HD HIS 12 4.982 4.462 -3.119 72 HE1 HIS 12 1HE HIS 12 2.465 2.218 -5.674 73 HE2 HIS 12 2HE HIS 12 4.797 3.075 -5.288 74 H ALA 13 H ALA 13 3.057 6.595 0.171 75 HA ALA 13 HA ALA 13 5.852 6.289 0.394 76 HB1 ALA 13 1HB ALA 13 4.779 8.475 0.167 77 HB2 ALA 13 2HB ALA 13 5.825 8.414 1.586 78 HB3 ALA 13 3HB ALA 13 4.075 8.296 1.775 79 H HIS 14 H HIS 14 3.224 5.847 2.680 80 HA HIS 14 HA HIS 14 4.705 5.634 5.041 81 HB2 HIS 14 2HB HIS 14 2.175 5.725 4.773 82 HB3 HIS 14 1HB HIS 14 2.243 4.010 4.393 83 HD1 HIS 14 1HD HIS 14 4.061 5.878 7.154 84 HD2 HIS 14 2HD HIS 14 1.245 2.873 6.630 85 HE1 HIS 14 1HE HIS 14 3.667 4.923 9.445 86 HE2 HIS 14 2HE HIS 14 1.762 3.302 9.126 87 H CYS 15 H CYS 15 3.535 3.046 2.888 88 HA CYS 15 HA CYS 15 4.881 0.956 4.182 89 HB2 CYS 15 2HB CYS 15 3.024 0.877 2.364 90 HB3 CYS 15 1HB CYS 15 4.363 0.929 1.222 91 H LEU 16 H LEU 16 5.839 3.142 1.648 92 HA LEU 16 HA LEU 16 8.261 1.916 0.916 93 HB2 LEU 16 2HB LEU 16 6.971 4.525 0.535 94 HB3 LEU 16 1HB LEU 16 8.723 4.572 0.496 95 HG LEU 16 HG LEU 16 8.790 3.029 -1.354 96 HD11 LEU 16 1HD1 LEU 16 6.932 1.588 -0.678 97 HD12 LEU 16 2HD1 LEU 16 6.774 2.104 -2.357 98 HD13 LEU 16 3HD1 LEU 16 5.790 2.861 -1.104 99 HD21 LEU 16 3HD2 LEU 16 8.451 5.346 -1.951 100 HD22 LEU 16 1HD2 LEU 16 6.705 5.167 -1.767 101 HD23 LEU 16 2HD2 LEU 16 7.548 4.309 -3.056 102 H SER 17 H SER 17 7.387 3.935 3.599 103 HA SER 17 HA SER 17 10.102 4.587 4.314 104 HB2 SER 17 2HB SER 17 7.541 4.932 5.886 105 HB3 SER 17 1HB SER 17 9.099 5.663 6.272 106 HG SER 17 HG SER 17 7.612 6.101 3.884 107 H ILE 18 H ILE 18 8.044 1.881 4.834 108 HA ILE 18 HA ILE 18 9.549 1.164 7.251 109 HB ILE 18 HB ILE 18 7.855 -0.818 7.278 110 HG12 ILE 18 2HG1 ILE 18 6.312 1.242 5.689 111 HG13 ILE 18 1HG1 ILE 18 6.862 -0.313 5.074 112 HG21 ILE 18 1HG2 ILE 18 8.048 0.955 8.960 113 HG22 ILE 18 2HG2 ILE 18 6.365 0.518 8.673 114 HG23 ILE 18 3HG2 ILE 18 7.022 2.001 7.979 115 HD11 ILE 18 3HD1 ILE 18 5.421 -1.467 6.640 116 HD12 ILE 18 1HD1 ILE 18 4.491 -0.326 5.669 117 HD13 ILE 18 2HD1 ILE 18 4.912 0.072 7.334 118 H GLY 19 H GLY 19 10.736 1.064 4.633 119 HA2 GLY 19 2HA GLY 19 12.522 -0.408 4.077 120 HA3 GLY 19 1HA GLY 19 11.594 -1.740 4.742 121 H ARG 20 H ARG 20 9.164 -1.175 3.390 122 HA ARG 20 HA ARG 20 9.607 -2.623 1.008 123 HB2 ARG 20 2HB ARG 20 7.215 -0.991 1.867 124 HB3 ARG 20 1HB ARG 20 7.233 -2.072 0.482 125 HG2 ARG 20 2HG ARG 20 6.290 -3.427 2.059 126 HG3 ARG 20 1HG ARG 20 7.992 -3.839 2.264 127 HD2 ARG 20 2HD ARG 20 8.175 -2.649 4.243 128 HD3 ARG 20 1HD ARG 20 6.779 -1.635 3.881 129 HE ARG 20 HE ARG 20 5.488 -3.853 4.172 130 HH11 ARG 20 1HH1 ARG 20 8.349 -2.906 5.993 131 HH12 ARG 20 2HH1 ARG 20 7.905 -3.825 7.392 132 HH21 ARG 20 1HH2 ARG 20 4.892 -5.029 6.013 133 HH22 ARG 20 2HH2 ARG 20 5.935 -5.036 7.407 134 H LYS 21 H LYS 21 9.600 -1.990 -1.171 135 HA LYS 21 HA LYS 21 10.175 0.857 -1.567 136 HB2 LYS 21 2HB LYS 21 11.011 -1.576 -3.125 137 HB3 LYS 21 1HB LYS 21 11.226 0.059 -3.735 138 HG2 LYS 21 2HG LYS 21 12.384 -0.979 -1.154 139 HG3 LYS 21 1HG LYS 21 13.258 -0.850 -2.682 140 HD2 LYS 21 2HD LYS 21 13.713 1.290 -2.282 141 HD3 LYS 21 1HD LYS 21 11.996 1.648 -2.101 142 HE2 LYS 21 2HE LYS 21 13.145 0.285 0.208 143 HE3 LYS 21 1HE LYS 21 13.892 1.844 -0.121 144 HZ1 LYS 21 3HZ LYS 21 12.066 2.191 1.343 145 HZ2 LYS 21 1HZ LYS 21 11.010 1.307 0.360 146 HZ3 LYS 21 2HZ LYS 21 11.612 2.797 -0.167 147 H PHE 22 H PHE 22 7.979 -1.624 -2.396 148 HA PHE 22 HA PHE 22 6.398 0.285 -3.941 149 HB2 PHE 22 2HB PHE 22 6.439 -2.477 -5.036 150 HB3 PHE 22 1HB PHE 22 6.184 -0.951 -5.860 151 HD1 PHE 22 1HD PHE 22 8.082 0.390 -6.635 152 HD2 PHE 22 2HD PHE 22 8.635 -3.415 -4.807 153 HE1 PHE 22 1HE PHE 22 10.384 0.312 -7.502 154 HE2 PHE 22 2HE PHE 22 10.938 -3.497 -5.667 155 HZ PHE 22 HZ PHE 22 11.815 -1.633 -7.015 156 H GLY 23 H GLY 23 4.162 -0.303 -4.031 157 HA2 GLY 23 2HA GLY 23 2.908 -2.533 -3.102 158 HA3 GLY 23 1HA GLY 23 3.296 -1.638 -1.639 159 H PHE 24 H PHE 24 0.692 -2.286 -2.643 160 HA PHE 24 HA PHE 24 -0.558 0.261 -2.390 161 HB2 PHE 24 2HB PHE 24 -1.763 0.224 -4.577 162 HB3 PHE 24 1HB PHE 24 -0.035 0.501 -4.750 163 HD1 PHE 24 2HD PHE 24 1.415 -1.244 -5.679 164 HD2 PHE 24 1HD PHE 24 -2.803 -1.752 -5.434 165 HE1 PHE 24 2HE PHE 24 1.552 -3.114 -7.272 166 HE2 PHE 24 1HE PHE 24 -2.673 -3.623 -7.027 167 HZ PHE 24 HZ PHE 24 -0.494 -4.306 -7.947 168 H CYS 25 H CYS 25 -3.068 -0.077 -2.727 169 HA CYS 25 HA CYS 25 -3.809 -2.215 -1.041 170 HB2 CYS 25 2HB CYS 25 -6.178 -1.602 -1.769 171 HB3 CYS 25 1HB CYS 25 -5.232 -0.339 -0.987 172 H ALA 26 H ALA 26 -4.168 -4.257 -1.419 173 HA ALA 26 HA ALA 26 -4.701 -5.070 -4.206 174 HB1 ALA 26 1HB ALA 26 -3.048 -6.564 -2.176 175 HB2 ALA 26 2HB ALA 26 -2.424 -5.653 -3.551 176 HB3 ALA 26 3HB ALA 26 -3.403 -7.094 -3.820 177 H GLY 27 H GLY 27 -5.136 -7.758 -3.762 178 HA2 GLY 27 2HA GLY 27 -6.638 -9.301 -2.909 179 HA3 GLY 27 1HA GLY 27 -7.139 -8.110 -1.716 180 HA PRO 28 HA PRO 28 -10.271 -8.466 -5.276 181 HB2 PRO 28 2HB PRO 28 -12.231 -9.848 -4.020 182 HB3 PRO 28 1HB PRO 28 -10.924 -10.646 -4.904 183 HG2 PRO 28 2HG PRO 28 -11.211 -10.183 -1.959 184 HG3 PRO 28 1HG PRO 28 -10.674 -11.641 -2.814 185 HD2 PRO 28 2HD PRO 28 -8.946 -9.892 -1.663 186 HD3 PRO 28 1HD PRO 28 -8.540 -10.830 -3.115 187 H LEU 29 H LEU 29 -10.137 -7.506 -2.016 188 HA LEU 29 HA LEU 29 -12.646 -6.029 -2.100 189 HB2 LEU 29 2HB LEU 29 -10.578 -6.197 0.093 190 HB3 LEU 29 1HB LEU 29 -12.174 -5.485 0.230 191 HG LEU 29 HG LEU 29 -11.665 -8.408 -0.324 192 HD11 LEU 29 1HD1 LEU 29 -12.394 -7.032 2.256 193 HD12 LEU 29 2HD1 LEU 29 -10.846 -7.791 1.885 194 HD13 LEU 29 3HD1 LEU 29 -12.305 -8.775 2.002 195 HD21 LEU 29 3HD2 LEU 29 -14.176 -6.929 0.454 196 HD22 LEU 29 1HD2 LEU 29 -14.025 -8.670 0.220 197 HD23 LEU 29 2HD2 LEU 29 -13.815 -7.574 -1.147 198 H ARG 30 H ARG 30 -9.281 -5.560 -2.603 199 HA ARG 30 HA ARG 30 -7.964 -3.752 -3.021 200 HB2 ARG 30 2HB ARG 30 -9.886 -3.581 -4.759 201 HB3 ARG 30 1HB ARG 30 -10.453 -2.240 -3.775 202 HG2 ARG 30 2HG ARG 30 -9.115 -1.470 -5.652 203 HG3 ARG 30 1HG ARG 30 -8.346 -1.076 -4.114 204 HD2 ARG 30 2HD ARG 30 -6.727 -1.906 -5.753 205 HD3 ARG 30 1HD ARG 30 -6.846 -2.972 -4.356 206 HE ARG 30 HE ARG 30 -8.597 -3.926 -6.305 207 HH11 ARG 30 1HH1 ARG 30 -5.155 -3.543 -5.774 208 HH12 ARG 30 2HH1 ARG 30 -4.712 -4.834 -6.847 209 HH21 ARG 30 1HH2 ARG 30 -8.028 -5.649 -7.714 210 HH22 ARG 30 2HH2 ARG 30 -6.356 -6.041 -7.955 211 H ALA 31 H ALA 31 -8.502 -4.001 -0.395 212 HA ALA 31 HA ALA 31 -9.150 -1.284 0.522 213 HB1 ALA 31 1HB ALA 31 -9.290 -3.850 2.094 214 HB2 ALA 31 2HB ALA 31 -10.661 -3.023 1.358 215 HB3 ALA 31 3HB ALA 31 -9.758 -2.246 2.660 216 H THR 32 H THR 32 -7.351 -3.951 2.028 217 HA THR 32 HA THR 32 -5.504 -2.215 3.274 218 HB THR 32 HB THR 32 -4.695 -5.023 2.944 219 HG1 THR 32 1HG THR 32 -6.496 -5.670 4.351 220 HG21 THR 32 3HG2 THR 32 -3.711 -3.526 4.624 221 HG22 THR 32 1HG2 THR 32 -4.530 -4.892 5.384 222 HG23 THR 32 2HG2 THR 32 -5.300 -3.307 5.357 223 H CYS 33 H CYS 33 -3.428 -1.676 2.798 224 HA CYS 33 HA CYS 33 -2.573 -1.951 0.068 225 HB2 CYS 33 2HB CYS 33 -1.167 -0.717 2.440 226 HB3 CYS 33 1HB CYS 33 -0.620 -0.607 0.777 227 H THR 34 H THR 34 -1.176 -3.340 -0.726 228 HA THR 34 HA THR 34 0.229 -5.147 1.135 229 HB THR 34 HB THR 34 -0.601 -5.880 -1.666 230 HG1 THR 34 1HG THR 34 -2.132 -5.647 0.620 231 HG21 THR 34 3HG2 THR 34 -0.387 -8.166 -0.827 232 HG22 THR 34 1HG2 THR 34 0.036 -7.550 0.771 233 HG23 THR 34 2HG2 THR 34 1.117 -7.274 -0.594 234 H CYS 35 H CYS 35 2.379 -5.245 0.932 235 HA CYS 35 HA CYS 35 3.584 -3.998 -1.442 236 HB2 CYS 35 2HB CYS 35 4.518 -3.929 1.430 237 HB3 CYS 35 1HB CYS 35 5.451 -3.317 0.069 238 H GLY 36 H GLY 36 6.033 -4.668 -1.551 239 HA2 GLY 36 2HA GLY 36 6.182 -7.348 -2.262 240 HA3 GLY 36 1HA GLY 36 7.571 -6.323 -1.949 241 H LYS 37 H LYS 37 6.776 -5.889 0.840 242 HA LYS 37 HA LYS 37 7.287 -8.564 1.945 243 HB2 LYS 37 2HB LYS 37 8.672 -5.967 2.585 244 HB3 LYS 37 1HB LYS 37 8.647 -7.298 3.734 245 HG2 LYS 37 2HG LYS 37 9.889 -7.240 0.996 246 HG3 LYS 37 1HG LYS 37 10.691 -7.445 2.555 247 HD2 LYS 37 2HD LYS 37 10.179 -9.650 2.675 248 HD3 LYS 37 1HD LYS 37 8.605 -9.433 1.902 249 HE2 LYS 37 2HE LYS 37 10.261 -8.861 -0.158 250 HE3 LYS 37 1HE LYS 37 11.240 -10.037 0.720 251 HZ1 LYS 37 3HZ LYS 37 8.459 -10.447 -0.267 252 HZ2 LYS 37 1HZ LYS 37 9.353 -11.579 0.626 253 HZ3 LYS 37 2HZ LYS 37 9.865 -11.131 -0.921 254 H GLN 38 H GLN 38 4.772 -7.392 1.659 255 HA GLN 38 HA GLN 38 2.855 -6.936 2.769 256 HB2 GLN 38 2HB GLN 38 4.437 -8.122 5.054 257 HB3 GLN 38 1HB GLN 38 2.746 -7.661 5.192 258 HG2 GLN 38 2HG GLN 38 3.877 -9.727 3.319 259 HG3 GLN 38 1HG GLN 38 2.960 -10.036 4.792 260 HE21 GLN 38 1HE2 GLN 38 0.741 -9.482 4.836 261 HE22 GLN 38 2HE2 GLN 38 -0.169 -9.351 3.375 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -10.708 0.908 0.147 2 H2 GLY 1 2HT GLY 1 -9.556 2.134 0.354 3 H3 GLY 1 3HT GLY 1 -10.911 2.066 1.363 4 HA2 GLY 1 1HA GLY 1 -10.169 -0.006 2.314 5 HA3 GLY 1 2HA GLY 1 -8.773 0.022 1.243 6 H PHE 2 H PHE 2 -7.251 0.095 2.876 7 HA PHE 2 HA PHE 2 -7.339 1.915 5.044 8 HB2 PHE 2 2HB PHE 2 -5.941 -0.216 4.846 9 HB3 PHE 2 1HB PHE 2 -4.827 0.725 3.860 10 HD1 PHE 2 2HD PHE 2 -6.636 1.178 7.102 11 HD2 PHE 2 1HD PHE 2 -2.967 1.455 4.965 12 HE1 PHE 2 2HE PHE 2 -5.512 1.974 9.140 13 HE2 PHE 2 1HE PHE 2 -1.837 2.250 6.999 14 HZ PHE 2 HZ PHE 2 -3.110 2.512 9.091 15 H GLY 3 H GLY 3 -5.615 1.968 1.946 16 HA2 GLY 3 2HA GLY 3 -5.199 4.867 2.322 17 HA3 GLY 3 1HA GLY 3 -4.127 3.830 1.386 18 H CYS 4 H CYS 4 -5.469 2.504 -0.319 19 HA CYS 4 HA CYS 4 -6.283 4.173 -2.343 20 HB2 CYS 4 2HB CYS 4 -7.213 2.175 -3.397 21 HB3 CYS 4 1HB CYS 4 -5.695 1.779 -2.592 22 HA PRO 5 HA PRO 5 -7.362 4.290 -3.935 23 HB2 PRO 5 2HB PRO 5 -9.229 5.503 -5.452 24 HB3 PRO 5 1HB PRO 5 -9.262 3.770 -5.120 25 HG2 PRO 5 2HG PRO 5 -11.047 5.878 -4.154 26 HG3 PRO 5 1HG PRO 5 -11.279 4.124 -4.140 27 HD2 PRO 5 2HD PRO 5 -10.382 5.873 -1.989 28 HD3 PRO 5 1HD PRO 5 -10.846 4.160 -1.916 29 H PHE 6 H PHE 6 -8.465 6.612 -1.816 30 HA PHE 6 HA PHE 6 -7.699 8.915 -3.407 31 HB2 PHE 6 2HB PHE 6 -8.701 8.752 -0.561 32 HB3 PHE 6 1HB PHE 6 -8.449 10.237 -1.471 33 HD1 PHE 6 2HD PHE 6 -9.728 10.331 -3.779 34 HD2 PHE 6 1HD PHE 6 -10.810 7.853 -0.492 35 HE1 PHE 6 2HE PHE 6 -12.024 10.183 -4.652 36 HE2 PHE 6 1HE PHE 6 -13.108 7.702 -1.359 37 HZ PHE 6 HZ PHE 6 -13.718 8.868 -3.441 38 H ASN 7 H ASN 7 -6.587 7.270 -0.449 39 HA ASN 7 HA ASN 7 -4.183 8.966 -0.569 40 HB2 ASN 7 2HB ASN 7 -5.667 7.757 1.736 41 HB3 ASN 7 1HB ASN 7 -3.946 8.101 1.893 42 HD21 ASN 7 1HD2 ASN 7 -3.723 10.426 0.444 43 HD22 ASN 7 2HD2 ASN 7 -4.626 11.677 1.238 44 H GLU 8 H GLU 8 -4.293 6.832 -2.272 45 HA GLU 8 HA GLU 8 -3.066 4.519 -1.121 46 HB2 GLU 8 2HB GLU 8 -4.439 4.490 -3.224 47 HB3 GLU 8 1HB GLU 8 -3.121 5.323 -4.034 48 HG2 GLU 8 2HG GLU 8 -3.061 2.943 -4.492 49 HG3 GLU 8 1HG GLU 8 -1.635 3.447 -3.583 50 H ASN 9 H ASN 9 -1.984 7.483 -2.578 51 HA ASN 9 HA ASN 9 0.726 6.746 -2.993 52 HB2 ASN 9 2HB ASN 9 -0.609 9.436 -2.602 53 HB3 ASN 9 1HB ASN 9 1.110 9.258 -2.940 54 HD21 ASN 9 1HD2 ASN 9 -1.060 10.524 -4.462 55 HD22 ASN 9 2HD2 ASN 9 -1.022 9.781 -6.022 56 H GLU 10 H GLU 10 -1.076 8.154 -0.335 57 HA GLU 10 HA GLU 10 1.180 8.601 1.345 58 HB2 GLU 10 2HB GLU 10 -1.784 8.431 1.916 59 HB3 GLU 10 1HB GLU 10 -0.587 8.820 3.142 60 HG2 GLU 10 2HG GLU 10 -1.587 10.846 2.338 61 HG3 GLU 10 1HG GLU 10 0.095 10.785 1.817 62 H CYS 11 H CYS 11 -1.178 5.985 0.992 63 HA CYS 11 HA CYS 11 -0.226 4.460 3.181 64 HB2 CYS 11 2HB CYS 11 -2.384 4.200 1.617 65 HB3 CYS 11 1HB CYS 11 -1.330 3.060 0.782 66 H HIS 12 H HIS 12 0.624 4.690 -0.217 67 HA HIS 12 HA HIS 12 2.553 2.612 -0.263 68 HB2 HIS 12 2HB HIS 12 1.472 3.662 -2.284 69 HB3 HIS 12 1HB HIS 12 2.457 5.091 -2.007 70 HD1 HIS 12 1HD HIS 12 2.389 2.351 -4.147 71 HD2 HIS 12 2HD HIS 12 5.395 4.055 -1.853 72 HE1 HIS 12 1HE HIS 12 4.553 1.631 -5.218 73 HE2 HIS 12 2HE HIS 12 6.354 2.513 -3.691 74 H ALA 13 H ALA 13 2.716 6.101 0.330 75 HA ALA 13 HA ALA 13 5.500 6.347 0.570 76 HB1 ALA 13 1HB ALA 13 3.353 7.931 1.986 77 HB2 ALA 13 2HB ALA 13 4.009 8.280 0.386 78 HB3 ALA 13 3HB ALA 13 5.042 8.407 1.810 79 H HIS 14 H HIS 14 2.988 5.614 2.946 80 HA HIS 14 HA HIS 14 4.631 5.423 5.218 81 HB2 HIS 14 2HB HIS 14 2.153 5.409 5.292 82 HB3 HIS 14 1HB HIS 14 2.150 3.809 4.575 83 HD1 HIS 14 1HD HIS 14 4.360 4.995 7.426 84 HD2 HIS 14 2HD HIS 14 1.293 2.291 6.663 85 HE1 HIS 14 1HE HIS 14 4.132 3.622 9.522 86 HE2 HIS 14 2HE HIS 14 2.192 2.075 9.081 87 H CYS 15 H CYS 15 3.572 3.016 2.889 88 HA CYS 15 HA CYS 15 4.871 0.771 3.882 89 HB2 CYS 15 2HB CYS 15 3.265 0.533 2.121 90 HB3 CYS 15 1HB CYS 15 4.180 1.595 1.061 91 H LEU 16 H LEU 16 6.014 3.331 1.821 92 HA LEU 16 HA LEU 16 8.531 2.326 1.124 93 HB2 LEU 16 2HB LEU 16 7.262 5.006 1.263 94 HB3 LEU 16 1HB LEU 16 9.007 4.951 1.149 95 HG LEU 16 HG LEU 16 7.238 3.511 -0.814 96 HD11 LEU 16 1HD1 LEU 16 7.511 5.430 -2.307 97 HD12 LEU 16 2HD1 LEU 16 8.309 6.322 -1.011 98 HD13 LEU 16 3HD1 LEU 16 6.614 5.863 -0.851 99 HD21 LEU 16 3HD2 LEU 16 9.633 2.882 -0.645 100 HD22 LEU 16 1HD2 LEU 16 10.059 4.544 -1.051 101 HD23 LEU 16 2HD2 LEU 16 9.187 3.547 -2.216 102 H SER 17 H SER 17 7.374 3.871 4.019 103 HA SER 17 HA SER 17 9.951 4.506 5.085 104 HB2 SER 17 2HB SER 17 7.585 4.205 6.872 105 HB3 SER 17 1HB SER 17 8.824 5.459 6.846 106 HG SER 17 HG SER 17 7.657 5.789 4.596 107 H ILE 18 H ILE 18 8.045 1.603 5.010 108 HA ILE 18 HA ILE 18 9.493 0.556 7.336 109 HB ILE 18 HB ILE 18 7.944 -1.543 6.434 110 HG12 ILE 18 2HG1 ILE 18 6.267 0.969 6.276 111 HG13 ILE 18 1HG1 ILE 18 6.819 0.067 4.867 112 HG21 ILE 18 1HG2 ILE 18 6.603 -1.101 8.414 113 HG22 ILE 18 2HG2 ILE 18 7.236 0.544 8.492 114 HG23 ILE 18 3HG2 ILE 18 8.314 -0.829 8.746 115 HD11 ILE 18 3HD1 ILE 18 5.566 -1.879 5.609 116 HD12 ILE 18 1HD1 ILE 18 4.517 -0.471 5.441 117 HD13 ILE 18 2HD1 ILE 18 5.034 -0.998 7.043 118 H GLY 19 H GLY 19 10.827 1.119 4.832 119 HA2 GLY 19 2HA GLY 19 12.730 0.091 3.943 120 HA3 GLY 19 1HA GLY 19 12.160 -1.450 4.564 121 H ARG 20 H ARG 20 9.525 -1.176 3.377 122 HA ARG 20 HA ARG 20 10.059 -2.434 0.898 123 HB2 ARG 20 2HB ARG 20 7.370 -1.314 1.131 124 HB3 ARG 20 1HB ARG 20 7.876 -2.983 0.929 125 HG2 ARG 20 2HG ARG 20 8.016 -1.577 3.578 126 HG3 ARG 20 1HG ARG 20 6.565 -2.411 3.021 127 HD2 ARG 20 2HD ARG 20 8.442 -4.313 2.587 128 HD3 ARG 20 1HD ARG 20 9.125 -3.494 3.991 129 HE ARG 20 HE ARG 20 6.513 -4.865 3.868 130 HH11 ARG 20 1HH1 ARG 20 9.024 -3.283 5.761 131 HH12 ARG 20 2HH1 ARG 20 8.442 -3.913 7.266 132 HH21 ARG 20 1HH2 ARG 20 5.749 -5.676 5.835 133 HH22 ARG 20 2HH2 ARG 20 6.578 -5.269 7.313 134 H LYS 21 H LYS 21 9.651 -1.678 -1.236 135 HA LYS 21 HA LYS 21 9.822 1.238 -1.437 136 HB2 LYS 21 2HB LYS 21 10.770 -0.916 -3.313 137 HB3 LYS 21 1HB LYS 21 10.771 0.794 -3.724 138 HG2 LYS 21 2HG LYS 21 12.246 -0.426 -1.398 139 HG3 LYS 21 1HG LYS 21 12.967 0.004 -2.950 140 HD2 LYS 21 2HD LYS 21 13.068 2.184 -2.422 141 HD3 LYS 21 1HD LYS 21 11.447 2.182 -1.725 142 HE2 LYS 21 2HE LYS 21 13.494 0.759 -0.159 143 HE3 LYS 21 1HE LYS 21 13.733 2.500 -0.300 144 HZ1 LYS 21 3HZ LYS 21 11.198 1.237 0.610 145 HZ2 LYS 21 1HZ LYS 21 11.577 2.886 0.626 146 HZ3 LYS 21 2HZ LYS 21 12.395 1.822 1.650 147 H PHE 22 H PHE 22 7.992 -1.503 -2.430 148 HA PHE 22 HA PHE 22 6.099 0.314 -3.744 149 HB2 PHE 22 2HB PHE 22 6.201 -2.501 -4.684 150 HB3 PHE 22 1HB PHE 22 5.761 -1.045 -5.557 151 HD1 PHE 22 2HD PHE 22 7.537 0.475 -6.401 152 HD2 PHE 22 1HD PHE 22 8.412 -3.358 -4.769 153 HE1 PHE 22 2HE PHE 22 9.752 0.530 -7.469 154 HE2 PHE 22 1HE PHE 22 10.629 -3.309 -5.835 155 HZ PHE 22 HZ PHE 22 11.301 -1.363 -7.187 156 H GLY 23 H GLY 23 3.923 -0.303 -3.611 157 HA2 GLY 23 2HA GLY 23 2.777 -2.486 -2.455 158 HA3 GLY 23 1HA GLY 23 3.240 -1.475 -1.092 159 H PHE 24 H PHE 24 0.601 -2.282 -2.127 160 HA PHE 24 HA PHE 24 -0.762 0.157 -1.726 161 HB2 PHE 24 2HB PHE 24 -1.864 0.420 -3.885 162 HB3 PHE 24 1HB PHE 24 -0.122 0.581 -4.077 163 HD1 PHE 24 1HD PHE 24 1.170 -1.448 -4.948 164 HD2 PHE 24 2HD PHE 24 -3.068 -1.107 -5.160 165 HE1 PHE 24 1HE PHE 24 1.124 -3.155 -6.720 166 HE2 PHE 24 2HE PHE 24 -3.120 -2.815 -6.929 167 HZ PHE 24 HZ PHE 24 -1.023 -3.840 -7.712 168 H CYS 25 H CYS 25 -3.235 -0.277 -2.338 169 HA CYS 25 HA CYS 25 -4.097 -2.334 -0.710 170 HB2 CYS 25 2HB CYS 25 -5.410 -0.775 -2.901 171 HB3 CYS 25 1HB CYS 25 -6.274 -2.117 -2.161 172 H ALA 26 H ALA 26 -4.105 -4.434 -0.854 173 HA ALA 26 HA ALA 26 -4.442 -5.712 -3.470 174 HB1 ALA 26 1HB ALA 26 -2.690 -7.341 -2.966 175 HB2 ALA 26 2HB ALA 26 -2.326 -6.493 -1.463 176 HB3 ALA 26 3HB ALA 26 -2.039 -5.702 -3.012 177 H GLY 27 H GLY 27 -4.595 -8.252 -2.944 178 HA2 GLY 27 2HA GLY 27 -5.641 -9.955 -1.754 179 HA3 GLY 27 1HA GLY 27 -5.971 -8.810 -0.461 180 HA PRO 28 HA PRO 28 -10.159 -9.095 -2.016 181 HB2 PRO 28 2HB PRO 28 -10.818 -7.074 -0.012 182 HB3 PRO 28 1HB PRO 28 -11.327 -8.762 -0.101 183 HG2 PRO 28 2HG PRO 28 -9.614 -7.862 1.786 184 HG3 PRO 28 1HG PRO 28 -9.531 -9.507 1.127 185 HD2 PRO 28 2HD PRO 28 -7.871 -7.105 0.443 186 HD3 PRO 28 1HD PRO 28 -7.365 -8.792 0.691 187 H LEU 29 H LEU 29 -8.779 -7.733 -3.741 188 HA LEU 29 HA LEU 29 -8.907 -6.163 -5.355 189 HB2 LEU 29 2HB LEU 29 -11.465 -5.422 -3.947 190 HB3 LEU 29 1HB LEU 29 -10.924 -4.664 -5.433 191 HG LEU 29 HG LEU 29 -11.548 -7.601 -5.108 192 HD11 LEU 29 1HD1 LEU 29 -13.102 -5.398 -6.455 193 HD12 LEU 29 2HD1 LEU 29 -13.552 -6.232 -4.967 194 HD13 LEU 29 3HD1 LEU 29 -13.504 -7.115 -6.492 195 HD21 LEU 29 3HD2 LEU 29 -9.834 -7.188 -6.792 196 HD22 LEU 29 1HD2 LEU 29 -10.865 -5.979 -7.558 197 HD23 LEU 29 2HD2 LEU 29 -11.352 -7.673 -7.546 198 H ARG 30 H ARG 30 -10.338 -4.213 -2.745 199 HA ARG 30 HA ARG 30 -7.870 -2.641 -2.628 200 HB2 ARG 30 2HB ARG 30 -10.610 -1.536 -3.255 201 HB3 ARG 30 1HB ARG 30 -9.282 -0.535 -2.686 202 HG2 ARG 30 2HG ARG 30 -7.967 -1.146 -4.644 203 HG3 ARG 30 1HG ARG 30 -9.283 -2.177 -5.211 204 HD2 ARG 30 2HD ARG 30 -9.419 0.809 -4.800 205 HD3 ARG 30 1HD ARG 30 -9.284 -0.016 -6.353 206 HE ARG 30 HE ARG 30 -11.545 -0.957 -4.940 207 HH11 ARG 30 1HH1 ARG 30 -10.397 1.815 -6.733 208 HH12 ARG 30 2HH1 ARG 30 -11.978 2.318 -7.233 209 HH21 ARG 30 1HH2 ARG 30 -13.646 -0.302 -5.589 210 HH22 ARG 30 2HH2 ARG 30 -13.834 1.108 -6.576 211 H ALA 31 H ALA 31 -8.065 -4.106 -0.629 212 HA ALA 31 HA ALA 31 -9.750 -2.860 1.424 213 HB1 ALA 31 1HB ALA 31 -9.978 -5.284 1.162 214 HB2 ALA 31 2HB ALA 31 -9.359 -4.854 2.756 215 HB3 ALA 31 3HB ALA 31 -8.263 -5.480 1.525 216 H THR 32 H THR 32 -6.681 -4.566 1.866 217 HA THR 32 HA THR 32 -5.700 -2.202 3.315 218 HB THR 32 HB THR 32 -4.457 -4.901 3.644 219 HG1 THR 32 1HG THR 32 -6.058 -5.422 5.188 220 HG21 THR 32 3HG2 THR 32 -3.476 -2.957 4.764 221 HG22 THR 32 1HG2 THR 32 -4.135 -4.095 5.939 222 HG23 THR 32 2HG2 THR 32 -5.021 -2.621 5.546 223 H CYS 33 H CYS 33 -3.737 -1.311 2.799 224 HA CYS 33 HA CYS 33 -2.652 -1.874 0.237 225 HB2 CYS 33 2HB CYS 33 -1.044 -0.366 2.240 226 HB3 CYS 33 1HB CYS 33 -1.323 -0.020 0.539 227 H THR 34 H THR 34 -1.460 -3.548 -0.229 228 HA THR 34 HA THR 34 0.275 -4.701 1.859 229 HB THR 34 HB THR 34 -0.465 -6.116 -0.688 230 HG1 THR 34 1HG THR 34 -2.242 -5.268 1.020 231 HG21 THR 34 3HG2 THR 34 1.301 -7.084 0.708 232 HG22 THR 34 1HG2 THR 34 -0.136 -8.108 0.712 233 HG23 THR 34 2HG2 THR 34 0.216 -7.074 2.098 234 H CYS 35 H CYS 35 2.428 -4.711 1.568 235 HA CYS 35 HA CYS 35 3.478 -3.365 -0.767 236 HB2 CYS 35 2HB CYS 35 4.934 -4.416 1.664 237 HB3 CYS 35 1HB CYS 35 5.591 -3.330 0.443 238 H GLY 36 H GLY 36 5.638 -4.282 -1.631 239 HA2 GLY 36 2HA GLY 36 5.168 -6.551 -3.114 240 HA3 GLY 36 1HA GLY 36 6.772 -5.937 -2.757 241 H LYS 37 H LYS 37 6.790 -6.385 0.024 242 HA LYS 37 HA LYS 37 6.574 -9.314 0.174 243 HB2 LYS 37 2HB LYS 37 8.852 -7.548 1.069 244 HB3 LYS 37 1HB LYS 37 8.636 -9.185 1.671 245 HG2 LYS 37 2HG LYS 37 8.736 -9.996 -0.678 246 HG3 LYS 37 1HG LYS 37 9.125 -8.348 -1.177 247 HD2 LYS 37 2HD LYS 37 11.133 -8.384 0.189 248 HD3 LYS 37 1HD LYS 37 10.729 -10.000 0.774 249 HE2 LYS 37 2HE LYS 37 10.882 -10.848 -1.529 250 HE3 LYS 37 1HE LYS 37 11.335 -9.236 -2.081 251 HZ1 LYS 37 3HZ LYS 37 13.307 -9.353 -0.694 252 HZ2 LYS 37 1HZ LYS 37 13.268 -10.651 -1.780 253 HZ3 LYS 37 2HZ LYS 37 12.870 -10.895 -0.155 254 H GLN 38 H GLN 38 4.537 -7.791 0.982 255 HA GLN 38 HA GLN 38 3.124 -7.366 2.698 256 HB2 GLN 38 2HB GLN 38 4.996 -9.320 4.017 257 HB3 GLN 38 1HB GLN 38 3.660 -8.596 4.903 258 HG2 GLN 38 2HG GLN 38 2.099 -9.494 3.218 259 HG3 GLN 38 1HG GLN 38 3.459 -10.284 2.419 260 HE21 GLN 38 1HE2 GLN 38 1.465 -10.213 5.279 261 HE22 GLN 38 2HE2 GLN 38 1.878 -11.791 5.845 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -11.348 0.993 0.012 2 H2 GLY 1 2HT GLY 1 -9.980 1.993 -0.020 3 H3 GLY 1 3HT GLY 1 -11.332 2.435 0.898 4 HA2 GLY 1 1HA GLY 1 -11.008 0.475 2.315 5 HA3 GLY 1 2HA GLY 1 -9.543 0.127 1.403 6 H PHE 2 H PHE 2 -8.097 0.407 3.063 7 HA PHE 2 HA PHE 2 -8.148 2.611 4.851 8 HB2 PHE 2 2HB PHE 2 -6.994 0.484 5.363 9 HB3 PHE 2 1HB PHE 2 -5.833 0.812 4.081 10 HD1 PHE 2 1HD PHE 2 -7.167 2.275 7.235 11 HD2 PHE 2 2HD PHE 2 -3.858 1.895 4.586 12 HE1 PHE 2 1HE PHE 2 -5.748 3.483 8.840 13 HE2 PHE 2 2HE PHE 2 -2.433 3.102 6.187 14 HZ PHE 2 HZ PHE 2 -3.377 3.898 8.317 15 H GLY 3 H GLY 3 -6.123 1.868 2.030 16 HA2 GLY 3 2HA GLY 3 -5.283 4.674 1.943 17 HA3 GLY 3 1HA GLY 3 -4.531 3.345 1.069 18 H CYS 4 H CYS 4 -5.485 2.565 -0.814 19 HA CYS 4 HA CYS 4 -6.591 4.463 -2.529 20 HB2 CYS 4 2HB CYS 4 -7.165 1.642 -3.159 21 HB3 CYS 4 1HB CYS 4 -6.315 2.859 -4.106 22 HA PRO 5 HA PRO 5 -7.717 4.623 -4.227 23 HB2 PRO 5 2HB PRO 5 -9.995 5.940 -5.153 24 HB3 PRO 5 1HB PRO 5 -9.413 4.369 -5.696 25 HG2 PRO 5 2HG PRO 5 -11.810 4.880 -4.315 26 HG3 PRO 5 1HG PRO 5 -11.076 3.292 -4.594 27 HD2 PRO 5 2HD PRO 5 -10.965 5.035 -2.176 28 HD3 PRO 5 1HD PRO 5 -10.995 3.261 -2.295 29 H PHE 6 H PHE 6 -8.416 5.914 -1.473 30 HA PHE 6 HA PHE 6 -8.521 8.712 -2.306 31 HB2 PHE 6 2HB PHE 6 -8.797 7.466 0.434 32 HB3 PHE 6 1HB PHE 6 -8.907 9.190 0.099 33 HD1 PHE 6 1HD PHE 6 -10.722 9.950 -1.544 34 HD2 PHE 6 2HD PHE 6 -10.686 6.125 0.319 35 HE1 PHE 6 1HE PHE 6 -13.128 9.710 -1.999 36 HE2 PHE 6 2HE PHE 6 -13.093 5.876 -0.133 37 HZ PHE 6 HZ PHE 6 -14.316 7.671 -1.294 38 H ASN 7 H ASN 7 -6.711 6.843 0.142 39 HA ASN 7 HA ASN 7 -4.451 8.680 -0.308 40 HB2 ASN 7 2HB ASN 7 -4.387 7.101 2.169 41 HB3 ASN 7 1HB ASN 7 -4.084 8.815 1.919 42 HD21 ASN 7 1HD2 ASN 7 -6.391 6.415 2.813 43 HD22 ASN 7 2HD2 ASN 7 -7.661 7.501 3.252 44 H GLU 8 H GLU 8 -4.424 6.758 -2.133 45 HA GLU 8 HA GLU 8 -3.147 4.376 -1.193 46 HB2 GLU 8 2HB GLU 8 -2.624 4.217 -3.793 47 HB3 GLU 8 1HB GLU 8 -4.193 3.824 -3.115 48 HG2 GLU 8 2HG GLU 8 -4.826 6.241 -3.630 49 HG3 GLU 8 1HG GLU 8 -3.371 6.268 -4.632 50 H ASN 9 H ASN 9 -2.058 7.414 -2.545 51 HA ASN 9 HA ASN 9 0.655 6.630 -2.943 52 HB2 ASN 9 2HB ASN 9 -0.687 9.321 -2.605 53 HB3 ASN 9 1HB ASN 9 1.051 9.159 -2.836 54 HD21 ASN 9 1HD2 ASN 9 -1.304 10.230 -4.451 55 HD22 ASN 9 2HD2 ASN 9 -1.057 9.549 -6.020 56 H GLU 10 H GLU 10 -1.192 8.019 -0.330 57 HA GLU 10 HA GLU 10 0.976 8.502 1.434 58 HB2 GLU 10 2HB GLU 10 -1.985 8.123 1.938 59 HB3 GLU 10 1HB GLU 10 -0.839 8.631 3.167 60 HG2 GLU 10 2HG GLU 10 -2.033 10.540 2.299 61 HG3 GLU 10 1HG GLU 10 -0.331 10.640 1.858 62 H CYS 11 H CYS 11 -1.257 5.793 0.976 63 HA CYS 11 HA CYS 11 -0.296 4.243 3.138 64 HB2 CYS 11 2HB CYS 11 -2.391 3.937 1.507 65 HB3 CYS 11 1HB CYS 11 -1.265 2.885 0.657 66 H HIS 12 H HIS 12 0.663 4.624 -0.214 67 HA HIS 12 HA HIS 12 2.651 2.596 -0.252 68 HB2 HIS 12 2HB HIS 12 1.605 3.659 -2.286 69 HB3 HIS 12 1HB HIS 12 2.536 5.111 -1.943 70 HD1 HIS 12 1HD HIS 12 2.642 2.348 -4.092 71 HD2 HIS 12 2HD HIS 12 5.488 4.244 -1.746 72 HE1 HIS 12 1HE HIS 12 4.869 1.705 -5.078 73 HE2 HIS 12 2HE HIS 12 6.574 2.684 -3.499 74 H ALA 13 H ALA 13 2.694 6.082 0.386 75 HA ALA 13 HA ALA 13 5.458 6.397 0.734 76 HB1 ALA 13 1HB ALA 13 4.902 8.438 1.955 77 HB2 ALA 13 2HB ALA 13 3.222 7.916 2.079 78 HB3 ALA 13 3HB ALA 13 3.917 8.286 0.501 79 H HIS 14 H HIS 14 2.883 5.571 3.019 80 HA HIS 14 HA HIS 14 4.448 5.441 5.345 81 HB2 HIS 14 2HB HIS 14 1.964 5.311 5.319 82 HB3 HIS 14 1HB HIS 14 2.076 3.695 4.645 83 HD1 HIS 14 1HD HIS 14 4.117 5.090 7.528 84 HD2 HIS 14 2HD HIS 14 1.258 2.170 6.750 85 HE1 HIS 14 1HE HIS 14 3.931 3.744 9.646 86 HE2 HIS 14 2HE HIS 14 2.224 1.960 9.141 87 H CYS 15 H CYS 15 3.590 2.974 2.985 88 HA CYS 15 HA CYS 15 4.949 0.802 4.054 89 HB2 CYS 15 2HB CYS 15 3.398 0.665 2.139 90 HB3 CYS 15 1HB CYS 15 4.573 1.501 1.132 91 H LEU 16 H LEU 16 6.094 3.391 2.011 92 HA LEU 16 HA LEU 16 8.703 2.481 1.529 93 HB2 LEU 16 2HB LEU 16 7.342 5.132 1.526 94 HB3 LEU 16 1HB LEU 16 9.089 5.095 1.453 95 HG LEU 16 HG LEU 16 7.378 3.575 -0.503 96 HD11 LEU 16 1HD1 LEU 16 6.741 5.929 -0.609 97 HD12 LEU 16 2HD1 LEU 16 7.644 5.445 -2.045 98 HD13 LEU 16 3HD1 LEU 16 8.436 6.384 -0.779 99 HD21 LEU 16 3HD2 LEU 16 9.734 2.924 -0.330 100 HD22 LEU 16 1HD2 LEU 16 10.213 4.594 -0.639 101 HD23 LEU 16 2HD2 LEU 16 9.375 3.670 -1.887 102 H SER 17 H SER 17 7.254 4.110 4.250 103 HA SER 17 HA SER 17 9.661 4.952 5.501 104 HB2 SER 17 2HB SER 17 7.171 4.404 7.069 105 HB3 SER 17 1HB SER 17 8.328 5.723 7.232 106 HG SER 17 HG SER 17 7.351 6.005 4.844 107 H ILE 18 H ILE 18 8.170 1.841 5.274 108 HA ILE 18 HA ILE 18 9.613 0.988 7.687 109 HB ILE 18 HB ILE 18 8.314 -1.278 6.882 110 HG12 ILE 18 2HG1 ILE 18 6.393 1.015 6.427 111 HG13 ILE 18 1HG1 ILE 18 7.102 0.051 5.136 112 HG21 ILE 18 1HG2 ILE 18 6.822 -0.844 8.753 113 HG22 ILE 18 2HG2 ILE 18 7.255 0.865 8.724 114 HG23 ILE 18 3HG2 ILE 18 8.469 -0.347 9.144 115 HD11 ILE 18 3HD1 ILE 18 4.846 -0.678 5.652 116 HD12 ILE 18 1HD1 ILE 18 5.313 -0.977 7.325 117 HD13 ILE 18 2HD1 ILE 18 6.017 -1.941 6.028 118 H GLY 19 H GLY 19 10.802 1.628 5.052 119 HA2 GLY 19 2HA GLY 19 12.810 0.837 4.166 120 HA3 GLY 19 1HA GLY 19 12.529 -0.703 4.956 121 H ARG 20 H ARG 20 9.697 -0.313 3.554 122 HA ARG 20 HA ARG 20 10.397 -2.033 1.349 123 HB2 ARG 20 2HB ARG 20 7.655 -0.940 1.471 124 HB3 ARG 20 1HB ARG 20 8.197 -2.596 1.253 125 HG2 ARG 20 2HG ARG 20 8.173 -1.135 3.887 126 HG3 ARG 20 1HG ARG 20 6.909 -2.228 3.330 127 HD2 ARG 20 2HD ARG 20 9.115 -3.778 3.022 128 HD3 ARG 20 1HD ARG 20 9.574 -2.809 4.424 129 HE ARG 20 HE ARG 20 7.147 -4.499 4.255 130 HH11 ARG 20 1HH1 ARG 20 9.632 -2.891 6.156 131 HH12 ARG 20 2HH1 ARG 20 9.170 -3.680 7.630 132 HH21 ARG 20 1HH2 ARG 20 6.527 -5.505 6.173 133 HH22 ARG 20 2HH2 ARG 20 7.399 -5.167 7.644 134 H LYS 21 H LYS 21 9.686 -1.556 -0.894 135 HA LYS 21 HA LYS 21 10.113 1.286 -1.468 136 HB2 LYS 21 2HB LYS 21 10.699 -1.166 -3.107 137 HB3 LYS 21 1HB LYS 21 10.739 0.456 -3.784 138 HG2 LYS 21 2HG LYS 21 12.938 0.194 -3.267 139 HG3 LYS 21 1HG LYS 21 12.360 0.900 -1.757 140 HD2 LYS 21 2HD LYS 21 12.054 -1.454 -0.905 141 HD3 LYS 21 1HD LYS 21 12.911 -2.003 -2.347 142 HE2 LYS 21 2HE LYS 21 14.494 -1.858 -0.565 143 HE3 LYS 21 1HE LYS 21 14.816 -0.532 -1.682 144 HZ1 LYS 21 3HZ LYS 21 13.567 0.937 -0.184 145 HZ2 LYS 21 1HZ LYS 21 14.912 0.249 0.577 146 HZ3 LYS 21 2HZ LYS 21 13.360 -0.343 0.905 147 H PHE 22 H PHE 22 8.089 -1.442 -2.243 148 HA PHE 22 HA PHE 22 6.164 0.436 -3.417 149 HB2 PHE 22 2HB PHE 22 6.200 -2.372 -4.408 150 HB3 PHE 22 1HB PHE 22 5.666 -0.910 -5.215 151 HD1 PHE 22 1HD PHE 22 7.356 0.677 -6.135 152 HD2 PHE 22 2HD PHE 22 8.402 -3.190 -4.698 153 HE1 PHE 22 1HE PHE 22 9.483 0.800 -7.365 154 HE2 PHE 22 2HE PHE 22 10.532 -3.072 -5.924 155 HZ PHE 22 HZ PHE 22 11.075 -1.076 -7.259 156 H GLY 23 H GLY 23 3.989 -0.172 -3.259 157 HA2 GLY 23 2HA GLY 23 2.869 -2.334 -2.002 158 HA3 GLY 23 1HA GLY 23 3.309 -1.229 -0.704 159 H PHE 24 H PHE 24 0.717 -2.170 -2.083 160 HA PHE 24 HA PHE 24 -0.714 0.265 -1.705 161 HB2 PHE 24 2HB PHE 24 -1.687 0.394 -3.997 162 HB3 PHE 24 1HB PHE 24 0.028 0.782 -3.959 163 HD1 PHE 24 1HD PHE 24 1.667 -0.728 -4.942 164 HD2 PHE 24 2HD PHE 24 -2.500 -1.578 -5.113 165 HE1 PHE 24 1HE PHE 24 2.084 -2.403 -6.696 166 HE2 PHE 24 2HE PHE 24 -2.090 -3.256 -6.864 167 HZ PHE 24 HZ PHE 24 0.205 -3.670 -7.658 168 H CYS 25 H CYS 25 -3.127 -0.168 -2.358 169 HA CYS 25 HA CYS 25 -3.946 -2.454 -0.956 170 HB2 CYS 25 2HB CYS 25 -5.711 -1.081 -2.955 171 HB3 CYS 25 1HB CYS 25 -6.143 -1.792 -1.403 172 H ALA 26 H ALA 26 -3.829 -4.472 -1.527 173 HA ALA 26 HA ALA 26 -4.375 -5.194 -4.328 174 HB1 ALA 26 1HB ALA 26 -1.954 -5.247 -3.994 175 HB2 ALA 26 2HB ALA 26 -2.597 -6.867 -4.263 176 HB3 ALA 26 3HB ALA 26 -2.161 -6.351 -2.634 177 H GLY 27 H GLY 27 -4.426 -7.805 -4.315 178 HA2 GLY 27 2HA GLY 27 -5.198 -9.740 -3.112 179 HA3 GLY 27 1HA GLY 27 -6.045 -8.661 -2.011 180 HA PRO 28 HA PRO 28 -9.226 -10.136 -4.982 181 HB2 PRO 28 2HB PRO 28 -11.235 -10.310 -3.176 182 HB3 PRO 28 1HB PRO 28 -10.042 -11.596 -3.397 183 HG2 PRO 28 2HG PRO 28 -10.169 -9.468 -1.297 184 HG3 PRO 28 1HG PRO 28 -9.768 -11.187 -1.127 185 HD2 PRO 28 2HD PRO 28 -7.888 -9.217 -1.218 186 HD3 PRO 28 1HD PRO 28 -7.590 -10.871 -1.790 187 H LEU 29 H LEU 29 -9.035 -7.504 -2.757 188 HA LEU 29 HA LEU 29 -10.705 -5.869 -4.500 189 HB2 LEU 29 2HB LEU 29 -11.133 -6.227 -1.536 190 HB3 LEU 29 1HB LEU 29 -11.730 -4.830 -2.409 191 HG LEU 29 HG LEU 29 -12.502 -7.666 -3.089 192 HD11 LEU 29 1HD1 LEU 29 -14.608 -7.202 -1.942 193 HD12 LEU 29 2HD1 LEU 29 -13.981 -5.641 -1.415 194 HD13 LEU 29 3HD1 LEU 29 -13.242 -7.131 -0.829 195 HD21 LEU 29 3HD2 LEU 29 -12.748 -6.071 -4.916 196 HD22 LEU 29 1HD2 LEU 29 -13.675 -4.998 -3.869 197 HD23 LEU 29 2HD2 LEU 29 -14.325 -6.577 -4.309 198 H ARG 30 H ARG 30 -9.926 -3.821 -4.714 199 HA ARG 30 HA ARG 30 -7.337 -3.262 -3.611 200 HB2 ARG 30 2HB ARG 30 -8.365 -2.590 -5.944 201 HB3 ARG 30 1HB ARG 30 -8.955 -1.193 -5.054 202 HG2 ARG 30 2HG ARG 30 -6.724 -0.538 -4.478 203 HG3 ARG 30 1HG ARG 30 -6.064 -2.026 -5.156 204 HD2 ARG 30 2HD ARG 30 -5.657 -0.494 -6.839 205 HD3 ARG 30 1HD ARG 30 -7.178 -1.221 -7.356 206 HE ARG 30 HE ARG 30 -8.308 0.758 -6.706 207 HH11 ARG 30 1HH1 ARG 30 -4.825 1.000 -6.450 208 HH12 ARG 30 2HH1 ARG 30 -4.817 2.743 -6.379 209 HH21 ARG 30 1HH2 ARG 30 -8.289 3.058 -6.619 210 HH22 ARG 30 2HH2 ARG 30 -6.775 3.900 -6.434 211 H ALA 31 H ALA 31 -8.295 -3.460 -1.378 212 HA ALA 31 HA ALA 31 -9.089 -0.782 -0.439 213 HB1 ALA 31 1HB ALA 31 -10.554 -1.793 1.217 214 HB2 ALA 31 2HB ALA 31 -10.148 -3.400 0.617 215 HB3 ALA 31 3HB ALA 31 -11.034 -2.274 -0.410 216 H THR 32 H THR 32 -7.596 -3.883 0.402 217 HA THR 32 HA THR 32 -6.327 -2.680 2.737 218 HB THR 32 HB THR 32 -5.947 -5.528 1.855 219 HG1 THR 32 1HG THR 32 -7.853 -5.952 3.193 220 HG21 THR 32 3HG2 THR 32 -5.769 -5.911 4.272 221 HG22 THR 32 1HG2 THR 32 -6.072 -4.199 4.567 222 HG23 THR 32 2HG2 THR 32 -4.604 -4.703 3.730 223 H CYS 33 H CYS 33 -4.323 -1.879 2.632 224 HA CYS 33 HA CYS 33 -2.791 -2.005 0.248 225 HB2 CYS 33 2HB CYS 33 -1.974 -1.081 3.003 226 HB3 CYS 33 1HB CYS 33 -1.054 -0.813 1.531 227 H THR 34 H THR 34 -1.267 -3.291 -0.370 228 HA THR 34 HA THR 34 -0.053 -5.179 1.534 229 HB THR 34 HB THR 34 -0.546 -5.923 -1.335 230 HG1 THR 34 1HG THR 34 -2.431 -5.655 0.679 231 HG21 THR 34 3HG2 THR 34 -0.531 -8.198 -0.411 232 HG22 THR 34 1HG2 THR 34 -0.313 -7.537 1.208 233 HG23 THR 34 2HG2 THR 34 0.949 -7.328 -0.005 234 H CYS 35 H CYS 35 2.120 -5.053 1.522 235 HA CYS 35 HA CYS 35 3.381 -3.455 -0.571 236 HB2 CYS 35 2HB CYS 35 4.400 -4.435 2.100 237 HB3 CYS 35 1HB CYS 35 5.381 -3.533 0.949 238 H GLY 36 H GLY 36 5.590 -4.205 -1.323 239 HA2 GLY 36 2HA GLY 36 5.455 -6.468 -2.849 240 HA3 GLY 36 1HA GLY 36 6.973 -5.776 -2.301 241 H LYS 37 H LYS 37 6.963 -6.281 0.354 242 HA LYS 37 HA LYS 37 6.619 -9.189 0.586 243 HB2 LYS 37 2HB LYS 37 9.035 -7.517 1.163 244 HB3 LYS 37 1HB LYS 37 8.718 -8.923 2.172 245 HG2 LYS 37 2HG LYS 37 8.757 -10.367 0.234 246 HG3 LYS 37 1HG LYS 37 8.969 -8.974 -0.828 247 HD2 LYS 37 2HD LYS 37 11.133 -8.524 0.078 248 HD3 LYS 37 1HD LYS 37 10.907 -9.721 1.355 249 HE2 LYS 37 2HE LYS 37 12.361 -10.512 -0.491 250 HE3 LYS 37 1HE LYS 37 10.931 -11.514 -0.245 251 HZ1 LYS 37 3HZ LYS 37 9.867 -10.355 -2.098 252 HZ2 LYS 37 1HZ LYS 37 11.296 -11.120 -2.584 253 HZ3 LYS 37 2HZ LYS 37 11.271 -9.445 -2.350 254 H GLN 38 H GLN 38 4.837 -7.174 1.308 255 HA GLN 38 HA GLN 38 3.547 -6.387 2.977 256 HB2 GLN 38 2HB GLN 38 4.455 -9.021 3.873 257 HB3 GLN 38 1HB GLN 38 3.979 -7.961 5.193 258 HG2 GLN 38 2HG GLN 38 2.322 -8.851 2.851 259 HG3 GLN 38 1HG GLN 38 2.062 -9.195 4.561 260 HE21 GLN 38 1HE2 GLN 38 1.266 -7.555 5.902 261 HE22 GLN 38 2HE2 GLN 38 0.470 -6.163 5.264 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -8.988 -1.144 1.557 2 H2 GLY 1 2HT GLY 1 -8.871 0.495 1.154 3 H3 GLY 1 3HT GLY 1 -10.132 -0.039 2.142 4 HA2 GLY 1 1HA GLY 1 -8.632 -0.562 3.913 5 HA3 GLY 1 2HA GLY 1 -7.264 -0.180 2.877 6 H PHE 2 H PHE 2 -6.690 1.318 4.648 7 HA PHE 2 HA PHE 2 -8.385 3.644 4.965 8 HB2 PHE 2 2HB PHE 2 -6.724 4.414 6.583 9 HB3 PHE 2 1HB PHE 2 -7.178 2.749 6.914 10 HD1 PHE 2 1HD PHE 2 -5.596 0.910 6.349 11 HD2 PHE 2 2HD PHE 2 -4.495 5.013 6.078 12 HE1 PHE 2 1HE PHE 2 -3.219 0.271 6.362 13 HE2 PHE 2 2HE PHE 2 -2.119 4.380 6.086 14 HZ PHE 2 HZ PHE 2 -1.478 2.007 6.230 15 H GLY 3 H GLY 3 -5.893 2.644 2.914 16 HA2 GLY 3 2HA GLY 3 -5.075 5.374 2.263 17 HA3 GLY 3 1HA GLY 3 -4.330 3.898 1.660 18 H CYS 4 H CYS 4 -5.613 2.597 0.164 19 HA CYS 4 HA CYS 4 -6.389 3.849 -2.117 20 HB2 CYS 4 2HB CYS 4 -7.749 1.705 -2.514 21 HB3 CYS 4 1HB CYS 4 -6.027 1.521 -2.175 22 HA PRO 5 HA PRO 5 -7.486 3.761 -3.714 23 HB2 PRO 5 2HB PRO 5 -9.171 4.944 -5.426 24 HB3 PRO 5 1HB PRO 5 -9.483 3.329 -4.784 25 HG2 PRO 5 2HG PRO 5 -10.808 5.892 -4.161 26 HG3 PRO 5 1HG PRO 5 -11.423 4.240 -4.000 27 HD2 PRO 5 2HD PRO 5 -10.311 5.933 -1.958 28 HD3 PRO 5 1HD PRO 5 -10.941 4.282 -1.790 29 H PHE 6 H PHE 6 -8.290 6.528 -2.007 30 HA PHE 6 HA PHE 6 -7.141 8.401 -3.911 31 HB2 PHE 6 2HB PHE 6 -8.254 8.859 -1.138 32 HB3 PHE 6 1HB PHE 6 -7.730 10.122 -2.245 33 HD1 PHE 6 2HD PHE 6 -8.899 10.130 -4.576 34 HD2 PHE 6 1HD PHE 6 -10.467 8.230 -1.106 35 HE1 PHE 6 2HE PHE 6 -11.154 10.206 -5.557 36 HE2 PHE 6 1HE PHE 6 -12.725 8.303 -2.081 37 HZ PHE 6 HZ PHE 6 -13.070 9.292 -4.309 38 H ASN 7 H ASN 7 -6.447 7.174 -0.653 39 HA ASN 7 HA ASN 7 -3.884 8.581 -0.660 40 HB2 ASN 7 2HB ASN 7 -4.898 6.802 1.553 41 HB3 ASN 7 1HB ASN 7 -3.751 8.130 1.659 42 HD21 ASN 7 1HD2 ASN 7 -6.481 7.400 2.875 43 HD22 ASN 7 2HD2 ASN 7 -7.367 8.879 2.752 44 H GLU 8 H GLU 8 -4.025 6.644 -2.588 45 HA GLU 8 HA GLU 8 -3.034 4.121 -1.724 46 HB2 GLU 8 2HB GLU 8 -4.100 4.909 -4.026 47 HB3 GLU 8 1HB GLU 8 -2.415 5.175 -4.453 48 HG2 GLU 8 2HG GLU 8 -2.679 3.040 -5.185 49 HG3 GLU 8 1HG GLU 8 -2.140 2.728 -3.535 50 H ASN 9 H ASN 9 -1.524 7.056 -2.989 51 HA ASN 9 HA ASN 9 1.123 5.969 -2.875 52 HB2 ASN 9 2HB ASN 9 -0.066 8.612 -3.528 53 HB3 ASN 9 1HB ASN 9 1.611 8.601 -2.988 54 HD21 ASN 9 1HD2 ASN 9 0.364 9.167 -5.616 55 HD22 ASN 9 2HD2 ASN 9 1.170 8.120 -6.731 56 H GLU 10 H GLU 10 -0.981 7.592 -0.665 57 HA GLU 10 HA GLU 10 1.053 8.356 1.183 58 HB2 GLU 10 2HB GLU 10 -1.834 7.822 1.889 59 HB3 GLU 10 1HB GLU 10 -0.710 8.908 2.690 60 HG2 GLU 10 2HG GLU 10 -2.300 9.299 0.218 61 HG3 GLU 10 1HG GLU 10 -1.982 10.410 1.547 62 H CYS 11 H CYS 11 -1.068 5.565 0.780 63 HA CYS 11 HA CYS 11 -0.142 4.198 3.102 64 HB2 CYS 11 2HB CYS 11 -2.223 3.746 1.463 65 HB3 CYS 11 1HB CYS 11 -1.068 2.647 0.717 66 H HIS 12 H HIS 12 0.829 4.517 -0.203 67 HA HIS 12 HA HIS 12 2.839 2.538 -0.316 68 HB2 HIS 12 2HB HIS 12 1.837 3.578 -2.310 69 HB3 HIS 12 1HB HIS 12 2.513 5.133 -1.853 70 HD1 HIS 12 1HD HIS 12 3.403 4.726 -4.454 71 HD2 HIS 12 2HD HIS 12 5.250 2.631 -1.379 72 HE1 HIS 12 1HE HIS 12 5.616 3.965 -5.387 73 HE2 HIS 12 2HE HIS 12 6.730 2.710 -3.501 74 H ALA 13 H ALA 13 2.920 6.030 0.376 75 HA ALA 13 HA ALA 13 5.685 6.230 0.827 76 HB1 ALA 13 1HB ALA 13 4.256 8.188 0.465 77 HB2 ALA 13 2HB ALA 13 5.170 8.337 1.964 78 HB3 ALA 13 3HB ALA 13 3.462 7.899 2.012 79 H HIS 14 H HIS 14 2.965 5.489 2.940 80 HA HIS 14 HA HIS 14 4.306 5.365 5.392 81 HB2 HIS 14 2HB HIS 14 1.878 5.148 5.248 82 HB3 HIS 14 1HB HIS 14 2.035 3.646 4.358 83 HD1 HIS 14 1HD HIS 14 3.670 4.709 7.637 84 HD2 HIS 14 2HD HIS 14 1.231 1.725 6.075 85 HE1 HIS 14 1HE HIS 14 3.348 3.052 9.503 86 HE2 HIS 14 2HE HIS 14 1.972 1.196 8.495 87 H CYS 15 H CYS 15 3.725 2.893 2.963 88 HA CYS 15 HA CYS 15 5.131 0.793 4.129 89 HB2 CYS 15 2HB CYS 15 4.084 1.430 1.476 90 HB3 CYS 15 1HB CYS 15 5.515 0.407 1.427 91 H LEU 16 H LEU 16 6.243 3.477 2.204 92 HA LEU 16 HA LEU 16 8.846 2.610 1.650 93 HB2 LEU 16 2HB LEU 16 7.346 5.005 1.378 94 HB3 LEU 16 1HB LEU 16 8.862 5.420 2.152 95 HG LEU 16 HG LEU 16 10.040 4.226 0.267 96 HD11 LEU 16 1HD1 LEU 16 8.159 2.867 -0.487 97 HD12 LEU 16 2HD1 LEU 16 8.786 3.872 -1.792 98 HD13 LEU 16 3HD1 LEU 16 7.292 4.324 -0.970 99 HD21 LEU 16 3HD2 LEU 16 8.310 6.593 -0.444 100 HD22 LEU 16 1HD2 LEU 16 9.772 6.088 -1.291 101 HD23 LEU 16 2HD2 LEU 16 9.870 6.658 0.375 102 H SER 17 H SER 17 7.416 3.886 4.561 103 HA SER 17 HA SER 17 9.907 4.522 5.839 104 HB2 SER 17 2HB SER 17 7.389 4.023 7.377 105 HB3 SER 17 1HB SER 17 8.627 5.254 7.626 106 HG SER 17 HG SER 17 7.710 5.842 5.312 107 H ILE 18 H ILE 18 8.152 1.631 5.307 108 HA ILE 18 HA ILE 18 9.629 0.319 7.483 109 HB ILE 18 HB ILE 18 7.909 -1.614 6.863 110 HG12 ILE 18 2HG1 ILE 18 6.354 0.916 6.279 111 HG13 ILE 18 1HG1 ILE 18 6.823 -0.277 5.074 112 HG21 ILE 18 1HG2 ILE 18 7.247 0.752 8.613 113 HG22 ILE 18 2HG2 ILE 18 8.256 -0.622 9.065 114 HG23 ILE 18 3HG2 ILE 18 6.539 -0.859 8.737 115 HD11 ILE 18 3HD1 ILE 18 4.508 -0.555 5.716 116 HD12 ILE 18 1HD1 ILE 18 4.979 -0.742 7.404 117 HD13 ILE 18 2HD1 ILE 18 5.458 -1.954 6.215 118 H GLY 19 H GLY 19 10.500 1.020 4.696 119 HA2 GLY 19 2HA GLY 19 12.189 0.023 3.441 120 HA3 GLY 19 1HA GLY 19 11.832 -1.509 4.214 121 H ARG 20 H ARG 20 8.916 -0.411 3.138 122 HA ARG 20 HA ARG 20 9.074 -2.196 0.842 123 HB2 ARG 20 2HB ARG 20 6.543 -0.768 1.372 124 HB3 ARG 20 1HB ARG 20 6.824 -2.462 1.007 125 HG2 ARG 20 2HG ARG 20 7.448 -1.251 3.683 126 HG3 ARG 20 1HG ARG 20 5.874 -1.934 3.280 127 HD2 ARG 20 2HD ARG 20 7.518 -3.945 2.515 128 HD3 ARG 20 1HD ARG 20 8.427 -3.266 3.867 129 HE ARG 20 HE ARG 20 5.669 -4.324 4.010 130 HH11 ARG 20 1HH1 ARG 20 8.666 -3.372 5.588 131 HH12 ARG 20 2HH1 ARG 20 8.234 -4.098 7.101 132 HH21 ARG 20 1HH2 ARG 20 5.093 -5.250 5.991 133 HH22 ARG 20 2HH2 ARG 20 6.197 -5.165 7.337 134 H LYS 21 H LYS 21 10.020 -1.239 -0.855 135 HA LYS 21 HA LYS 21 9.810 1.514 -1.451 136 HB2 LYS 21 2HB LYS 21 10.657 -0.689 -3.322 137 HB3 LYS 21 1HB LYS 21 11.039 1.022 -3.467 138 HG2 LYS 21 2HG LYS 21 12.194 0.758 -1.195 139 HG3 LYS 21 1HG LYS 21 12.094 -0.976 -1.501 140 HD2 LYS 21 2HD LYS 21 14.211 -0.342 -2.299 141 HD3 LYS 21 1HD LYS 21 13.205 -0.477 -3.741 142 HE2 LYS 21 2HE LYS 21 14.569 1.526 -3.850 143 HE3 LYS 21 1HE LYS 21 12.864 1.953 -3.718 144 HZ1 LYS 21 3HZ LYS 21 14.245 3.321 -2.278 145 HZ2 LYS 21 1HZ LYS 21 14.816 1.945 -1.476 146 HZ3 LYS 21 2HZ LYS 21 13.184 2.374 -1.362 147 H PHE 22 H PHE 22 7.940 -1.227 -2.410 148 HA PHE 22 HA PHE 22 6.133 0.567 -3.855 149 HB2 PHE 22 2HB PHE 22 6.709 -2.179 -4.940 150 HB3 PHE 22 1HB PHE 22 5.868 -0.855 -5.724 151 HD1 PHE 22 1HD PHE 22 7.180 1.158 -6.455 152 HD2 PHE 22 2HD PHE 22 9.034 -2.457 -5.191 153 HE1 PHE 22 1HE PHE 22 9.264 1.843 -7.568 154 HE2 PHE 22 2HE PHE 22 11.123 -1.778 -6.300 155 HZ PHE 22 HZ PHE 22 11.240 0.375 -7.489 156 H GLY 23 H GLY 23 3.985 -0.478 -4.221 157 HA2 GLY 23 2HA GLY 23 2.717 -2.556 -3.412 158 HA3 GLY 23 1HA GLY 23 3.293 -2.040 -1.833 159 H PHE 24 H PHE 24 0.607 -2.377 -2.450 160 HA PHE 24 HA PHE 24 -0.507 0.023 -1.505 161 HB2 PHE 24 2HB PHE 24 -1.979 0.596 -3.429 162 HB3 PHE 24 1HB PHE 24 -0.277 0.913 -3.742 163 HD1 PHE 24 1HD PHE 24 0.990 -0.537 -5.286 164 HD2 PHE 24 2HD PHE 24 -3.201 -1.002 -4.707 165 HE1 PHE 24 1HE PHE 24 0.853 -1.853 -7.360 166 HE2 PHE 24 2HE PHE 24 -3.343 -2.324 -6.777 167 HZ PHE 24 HZ PHE 24 -1.315 -2.749 -8.107 168 H CYS 25 H CYS 25 -3.149 -0.228 -2.144 169 HA CYS 25 HA CYS 25 -3.909 -2.447 -0.582 170 HB2 CYS 25 2HB CYS 25 -5.438 -0.564 -2.348 171 HB3 CYS 25 1HB CYS 25 -6.237 -1.910 -1.547 172 H ALA 26 H ALA 26 -4.172 -4.501 -1.054 173 HA ALA 26 HA ALA 26 -4.292 -5.268 -3.884 174 HB1 ALA 26 1HB ALA 26 -3.563 -6.939 -1.480 175 HB2 ALA 26 2HB ALA 26 -2.425 -6.212 -2.616 176 HB3 ALA 26 3HB ALA 26 -3.533 -7.471 -3.161 177 H GLY 27 H GLY 27 -5.546 -7.326 -4.256 178 HA2 GLY 27 2HA GLY 27 -7.441 -8.666 -3.922 179 HA3 GLY 27 1HA GLY 27 -7.865 -7.675 -2.533 180 HA PRO 28 HA PRO 28 -10.021 -6.392 -6.694 181 HB2 PRO 28 2HB PRO 28 -12.299 -7.902 -6.531 182 HB3 PRO 28 1HB PRO 28 -10.874 -8.372 -7.464 183 HG2 PRO 28 2HG PRO 28 -11.717 -9.241 -4.727 184 HG3 PRO 28 1HG PRO 28 -11.054 -10.212 -6.054 185 HD2 PRO 28 2HD PRO 28 -9.534 -9.420 -3.983 186 HD3 PRO 28 1HD PRO 28 -8.881 -9.537 -5.630 187 H LEU 29 H LEU 29 -10.868 -6.923 -3.395 188 HA LEU 29 HA LEU 29 -13.088 -5.027 -3.523 189 HB2 LEU 29 2HB LEU 29 -12.086 -6.691 -1.210 190 HB3 LEU 29 1HB LEU 29 -13.518 -5.679 -1.194 191 HG LEU 29 HG LEU 29 -13.149 -8.080 -2.987 192 HD11 LEU 29 1HD1 LEU 29 -14.728 -9.199 -1.495 193 HD12 LEU 29 2HD1 LEU 29 -14.717 -7.795 -0.428 194 HD13 LEU 29 3HD1 LEU 29 -13.249 -8.748 -0.647 195 HD21 LEU 29 3HD2 LEU 29 -15.571 -6.388 -2.379 196 HD22 LEU 29 1HD2 LEU 29 -15.549 -7.838 -3.383 197 HD23 LEU 29 2HD2 LEU 29 -14.668 -6.398 -3.894 198 H ARG 30 H ARG 30 -9.899 -4.762 -3.398 199 HA ARG 30 HA ARG 30 -8.383 -3.251 -2.649 200 HB2 ARG 30 2HB ARG 30 -10.833 -1.532 -2.257 201 HB3 ARG 30 1HB ARG 30 -9.172 -0.955 -2.324 202 HG2 ARG 30 2HG ARG 30 -10.532 -2.418 -4.574 203 HG3 ARG 30 1HG ARG 30 -10.464 -0.666 -4.425 204 HD2 ARG 30 2HD ARG 30 -7.845 -1.838 -4.119 205 HD3 ARG 30 1HD ARG 30 -8.586 -2.315 -5.649 206 HE ARG 30 HE ARG 30 -8.944 0.137 -6.008 207 HH11 ARG 30 1HH1 ARG 30 -6.286 -1.089 -4.107 208 HH12 ARG 30 2HH1 ARG 30 -5.361 0.385 -4.192 209 HH21 ARG 30 1HH2 ARG 30 -7.711 2.066 -6.174 210 HH22 ARG 30 2HH2 ARG 30 -6.184 2.181 -5.345 211 H ALA 31 H ALA 31 -8.380 -4.933 -0.827 212 HA ALA 31 HA ALA 31 -9.487 -4.143 1.698 213 HB1 ALA 31 1HB ALA 31 -9.211 -6.498 1.105 214 HB2 ALA 31 2HB ALA 31 -8.332 -6.100 2.580 215 HB3 ALA 31 3HB ALA 31 -7.461 -6.285 1.057 216 H THR 32 H THR 32 -6.572 -5.277 2.561 217 HA THR 32 HA THR 32 -5.671 -2.680 3.435 218 HB THR 32 HB THR 32 -3.942 -5.023 3.916 219 HG1 THR 32 1HG THR 32 -5.420 -6.061 5.239 220 HG21 THR 32 3HG2 THR 32 -3.633 -2.881 5.073 221 HG22 THR 32 1HG2 THR 32 -4.023 -4.167 6.214 222 HG23 THR 32 2HG2 THR 32 -5.260 -3.002 5.741 223 H CYS 33 H CYS 33 -3.352 -2.087 3.225 224 HA CYS 33 HA CYS 33 -2.550 -2.277 0.472 225 HB2 CYS 33 2HB CYS 33 -1.035 -0.986 2.735 226 HB3 CYS 33 1HB CYS 33 -0.834 -0.686 1.017 227 H THR 34 H THR 34 -1.333 -3.764 -0.313 228 HA THR 34 HA THR 34 0.428 -5.311 1.472 229 HB THR 34 HB THR 34 -0.418 -6.190 -1.279 230 HG1 THR 34 1HG THR 34 -1.954 -5.980 0.985 231 HG21 THR 34 3HG2 THR 34 0.429 -7.697 1.200 232 HG22 THR 34 1HG2 THR 34 1.431 -7.397 -0.221 233 HG23 THR 34 2HG2 THR 34 0.004 -8.426 -0.349 234 H CYS 35 H CYS 35 2.549 -5.049 1.198 235 HA CYS 35 HA CYS 35 3.425 -3.729 -1.267 236 HB2 CYS 35 2HB CYS 35 4.398 -3.422 1.566 237 HB3 CYS 35 1HB CYS 35 5.298 -2.815 0.177 238 H GLY 36 H GLY 36 6.000 -3.953 -1.349 239 HA2 GLY 36 2HA GLY 36 6.639 -6.346 -2.434 240 HA3 GLY 36 1HA GLY 36 7.831 -5.314 -1.670 241 H LYS 37 H LYS 37 7.049 -5.588 1.006 242 HA LYS 37 HA LYS 37 7.376 -8.471 1.478 243 HB2 LYS 37 2HB LYS 37 8.912 -6.187 2.711 244 HB3 LYS 37 1HB LYS 37 8.825 -7.773 3.468 245 HG2 LYS 37 2HG LYS 37 9.810 -7.330 0.661 246 HG3 LYS 37 1HG LYS 37 10.865 -7.361 2.077 247 HD2 LYS 37 2HD LYS 37 10.639 -9.608 2.364 248 HD3 LYS 37 1HD LYS 37 8.990 -9.632 1.738 249 HE2 LYS 37 2HE LYS 37 11.212 -8.999 -0.139 250 HE3 LYS 37 1HE LYS 37 11.003 -10.671 0.377 251 HZ1 LYS 37 3HZ LYS 37 9.802 -10.018 -1.708 252 HZ2 LYS 37 1HZ LYS 37 8.789 -9.049 -0.757 253 HZ3 LYS 37 2HZ LYS 37 8.832 -10.723 -0.517 254 H GLN 38 H GLN 38 4.947 -7.321 1.448 255 HA GLN 38 HA GLN 38 3.019 -7.116 2.611 256 HB2 GLN 38 2HB GLN 38 4.632 -8.238 4.916 257 HB3 GLN 38 1HB GLN 38 2.883 -8.059 4.895 258 HG2 GLN 38 2HG GLN 38 2.807 -9.601 2.950 259 HG3 GLN 38 1HG GLN 38 4.541 -9.856 3.142 260 HE21 GLN 38 1HE2 GLN 38 5.289 -10.900 5.036 261 HE22 GLN 38 2HE2 GLN 38 4.251 -11.931 5.949 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -9.516 2.268 -0.076 2 H2 GLY 1 2HT GLY 1 -10.908 2.586 0.834 3 H3 GLY 1 3HT GLY 1 -10.861 1.244 -0.197 4 HA2 GLY 1 1HA GLY 1 -10.586 0.495 2.049 5 HA3 GLY 1 2HA GLY 1 -9.086 0.274 1.157 6 H PHE 2 H PHE 2 -7.658 0.427 2.813 7 HA PHE 2 HA PHE 2 -7.787 2.336 4.895 8 HB2 PHE 2 2HB PHE 2 -6.474 0.327 5.183 9 HB3 PHE 2 1HB PHE 2 -5.474 0.723 3.791 10 HD1 PHE 2 1HD PHE 2 -6.414 1.987 7.164 11 HD2 PHE 2 2HD PHE 2 -3.469 1.838 4.094 12 HE1 PHE 2 1HE PHE 2 -4.816 3.131 8.645 13 HE2 PHE 2 2HE PHE 2 -1.867 2.982 5.569 14 HZ PHE 2 HZ PHE 2 -2.540 3.629 7.848 15 H GLY 3 H GLY 3 -5.842 2.202 1.930 16 HA2 GLY 3 2HA GLY 3 -5.399 5.101 2.209 17 HA3 GLY 3 1HA GLY 3 -4.267 4.004 1.430 18 H CYS 4 H CYS 4 -5.103 2.843 -0.491 19 HA CYS 4 HA CYS 4 -5.980 4.649 -2.430 20 HB2 CYS 4 2HB CYS 4 -6.529 1.893 -3.124 21 HB3 CYS 4 1HB CYS 4 -5.316 2.989 -3.779 22 HA PRO 5 HA PRO 5 -6.875 4.728 -4.223 23 HB2 PRO 5 2HB PRO 5 -8.745 5.932 -5.703 24 HB3 PRO 5 1HB PRO 5 -8.561 4.176 -5.700 25 HG2 PRO 5 2HG PRO 5 -10.637 5.864 -4.423 26 HG3 PRO 5 1HG PRO 5 -10.757 4.210 -5.045 27 HD2 PRO 5 2HD PRO 5 -10.400 5.017 -2.342 28 HD3 PRO 5 1HD PRO 5 -10.360 3.365 -2.984 29 H PHE 6 H PHE 6 -8.792 6.346 -1.918 30 HA PHE 6 HA PHE 6 -8.544 9.029 -2.705 31 HB2 PHE 6 2HB PHE 6 -8.655 7.953 0.121 32 HB3 PHE 6 1HB PHE 6 -9.057 9.589 -0.391 33 HD1 PHE 6 2HD PHE 6 -11.001 9.849 -2.047 34 HD2 PHE 6 1HD PHE 6 -10.295 6.318 0.220 35 HE1 PHE 6 2HE PHE 6 -13.338 9.166 -2.392 36 HE2 PHE 6 1HE PHE 6 -12.630 5.627 -0.120 37 HZ PHE 6 HZ PHE 6 -14.156 7.052 -1.427 38 H ASN 7 H ASN 7 -6.701 7.381 -0.142 39 HA ASN 7 HA ASN 7 -4.484 9.223 -0.702 40 HB2 ASN 7 2HB ASN 7 -3.655 8.265 1.602 41 HB3 ASN 7 1HB ASN 7 -4.874 9.530 1.558 42 HD21 ASN 7 1HD2 ASN 7 -4.062 6.940 3.223 43 HD22 ASN 7 2HD2 ASN 7 -5.629 6.311 3.634 44 H GLU 8 H GLU 8 -4.717 7.374 -2.534 45 HA GLU 8 HA GLU 8 -3.536 4.875 -2.115 46 HB2 GLU 8 2HB GLU 8 -4.801 5.687 -4.160 47 HB3 GLU 8 1HB GLU 8 -3.326 6.506 -4.648 48 HG2 GLU 8 2HG GLU 8 -2.318 4.599 -5.297 49 HG3 GLU 8 1HG GLU 8 -3.058 3.642 -4.013 50 H ASN 9 H ASN 9 -2.100 7.973 -3.031 51 HA ASN 9 HA ASN 9 0.550 7.015 -3.267 52 HB2 ASN 9 2HB ASN 9 -0.729 9.696 -3.069 53 HB3 ASN 9 1HB ASN 9 0.990 9.594 -2.695 54 HD21 ASN 9 1HD2 ASN 9 -0.412 10.872 -4.943 55 HD22 ASN 9 2HD2 ASN 9 0.277 10.181 -6.368 56 H GLU 10 H GLU 10 -1.368 8.121 -0.555 57 HA GLU 10 HA GLU 10 0.801 8.373 1.275 58 HB2 GLU 10 2HB GLU 10 -1.348 9.476 1.701 59 HB3 GLU 10 1HB GLU 10 -2.150 7.915 1.785 60 HG2 GLU 10 2HG GLU 10 0.093 8.540 3.655 61 HG3 GLU 10 1HG GLU 10 -1.522 9.178 3.963 62 H CYS 11 H CYS 11 -1.617 5.855 0.639 63 HA CYS 11 HA CYS 11 -0.761 3.930 2.440 64 HB2 CYS 11 2HB CYS 11 -2.780 3.504 1.316 65 HB3 CYS 11 1HB CYS 11 -2.076 3.801 -0.264 66 H HIS 12 H HIS 12 0.307 4.596 -0.838 67 HA HIS 12 HA HIS 12 2.206 2.545 -1.093 68 HB2 HIS 12 2HB HIS 12 1.248 4.111 -2.895 69 HB3 HIS 12 1HB HIS 12 2.457 5.272 -2.364 70 HD1 HIS 12 1HD HIS 12 1.962 2.544 -4.675 71 HD2 HIS 12 2HD HIS 12 5.195 4.172 -2.641 72 HE1 HIS 12 1HE HIS 12 4.008 1.750 -5.910 73 HE2 HIS 12 2HE HIS 12 5.943 2.861 -4.741 74 H ALA 13 H ALA 13 2.582 5.952 -0.114 75 HA ALA 13 HA ALA 13 5.347 5.831 0.425 76 HB1 ALA 13 1HB ALA 13 5.024 7.927 1.627 77 HB2 ALA 13 2HB ALA 13 3.277 7.676 1.618 78 HB3 ALA 13 3HB ALA 13 4.139 7.937 0.101 79 H HIS 14 H HIS 14 2.506 5.191 2.383 80 HA HIS 14 HA HIS 14 3.676 4.992 4.904 81 HB2 HIS 14 2HB HIS 14 1.229 4.935 4.448 82 HB3 HIS 14 1HB HIS 14 1.410 3.314 3.801 83 HD1 HIS 14 1HD HIS 14 2.770 4.800 7.029 84 HD2 HIS 14 2HD HIS 14 0.347 1.702 5.687 85 HE1 HIS 14 1HE HIS 14 2.246 3.424 9.068 86 HE2 HIS 14 2HE HIS 14 0.607 1.687 8.259 87 H CYS 15 H CYS 15 3.036 2.443 2.521 88 HA CYS 15 HA CYS 15 4.331 0.360 3.857 89 HB2 CYS 15 2HB CYS 15 3.532 0.897 1.054 90 HB3 CYS 15 1HB CYS 15 4.767 -0.336 1.283 91 H LEU 16 H LEU 16 5.541 2.781 1.650 92 HA LEU 16 HA LEU 16 8.179 1.845 1.392 93 HB2 LEU 16 2HB LEU 16 6.716 4.329 0.854 94 HB3 LEU 16 1HB LEU 16 8.418 4.561 1.195 95 HG LEU 16 HG LEU 16 9.012 3.050 -0.638 96 HD11 LEU 16 1HD1 LEU 16 7.078 1.572 -0.525 97 HD12 LEU 16 2HD1 LEU 16 7.296 2.209 -2.155 98 HD13 LEU 16 3HD1 LEU 16 6.039 2.873 -1.110 99 HD21 LEU 16 3HD2 LEU 16 8.776 5.418 -1.129 100 HD22 LEU 16 1HD2 LEU 16 7.052 5.201 -1.434 101 HD23 LEU 16 2HD2 LEU 16 8.238 4.449 -2.501 102 H SER 17 H SER 17 6.579 3.578 3.932 103 HA SER 17 HA SER 17 8.911 4.637 5.176 104 HB2 SER 17 2HB SER 17 6.225 4.101 6.455 105 HB3 SER 17 1HB SER 17 7.462 5.228 7.010 106 HG SER 17 HG SER 17 6.508 5.551 4.406 107 H ILE 18 H ILE 18 7.456 1.475 5.201 108 HA ILE 18 HA ILE 18 8.922 0.859 7.666 109 HB ILE 18 HB ILE 18 7.735 -1.410 7.471 110 HG12 ILE 18 2HG1 ILE 18 5.930 0.234 5.683 111 HG13 ILE 18 1HG1 ILE 18 6.936 -1.108 5.150 112 HG21 ILE 18 1HG2 ILE 18 7.243 0.293 9.156 113 HG22 ILE 18 2HG2 ILE 18 5.779 -0.542 8.638 114 HG23 ILE 18 3HG2 ILE 18 6.127 1.081 8.040 115 HD11 ILE 18 3HD1 ILE 18 4.603 -1.762 5.430 116 HD12 ILE 18 1HD1 ILE 18 4.678 -1.299 7.130 117 HD13 ILE 18 2HD1 ILE 18 5.661 -2.638 6.537 118 H GLY 19 H GLY 19 10.246 1.337 5.162 119 HA2 GLY 19 2HA GLY 19 12.298 0.468 4.447 120 HA3 GLY 19 1HA GLY 19 11.877 -1.072 5.171 121 H ARG 20 H ARG 20 9.218 -0.948 3.724 122 HA ARG 20 HA ARG 20 9.984 -2.528 1.511 123 HB2 ARG 20 2HB ARG 20 7.312 -1.199 1.546 124 HB3 ARG 20 1HB ARG 20 7.733 -2.850 1.118 125 HG2 ARG 20 2HG ARG 20 7.649 -1.724 3.912 126 HG3 ARG 20 1HG ARG 20 6.417 -2.743 3.169 127 HD2 ARG 20 2HD ARG 20 8.506 -4.341 2.802 128 HD3 ARG 20 1HD ARG 20 9.113 -3.450 4.198 129 HE ARG 20 HE ARG 20 6.687 -5.131 4.124 130 HH11 ARG 20 1HH1 ARG 20 9.011 -3.260 5.991 131 HH12 ARG 20 2HH1 ARG 20 8.566 -4.001 7.492 132 HH21 ARG 20 1HH2 ARG 20 6.101 -6.085 6.082 133 HH22 ARG 20 2HH2 ARG 20 6.908 -5.603 7.549 134 H LYS 21 H LYS 21 9.698 -2.083 -0.768 135 HA LYS 21 HA LYS 21 10.176 0.750 -1.369 136 HB2 LYS 21 2HB LYS 21 11.658 -1.457 -2.060 137 HB3 LYS 21 1HB LYS 21 10.720 -1.162 -3.518 138 HG2 LYS 21 2HG LYS 21 13.022 -0.046 -3.288 139 HG3 LYS 21 1HG LYS 21 11.669 0.929 -3.861 140 HD2 LYS 21 2HD LYS 21 12.969 2.169 -2.221 141 HD3 LYS 21 1HD LYS 21 11.362 1.817 -1.587 142 HE2 LYS 21 2HE LYS 21 12.765 -0.344 -0.718 143 HE3 LYS 21 1HE LYS 21 14.003 0.910 -0.670 144 HZ1 LYS 21 3HZ LYS 21 12.590 0.580 1.397 145 HZ2 LYS 21 1HZ LYS 21 11.330 1.317 0.538 146 HZ3 LYS 21 2HZ LYS 21 12.761 2.170 0.839 147 H PHE 22 H PHE 22 7.858 -1.632 -1.624 148 HA PHE 22 HA PHE 22 6.308 0.020 -3.469 149 HB2 PHE 22 2HB PHE 22 6.121 -2.971 -3.678 150 HB3 PHE 22 1HB PHE 22 5.591 -1.756 -4.826 151 HD1 PHE 22 1HD PHE 22 7.266 -0.555 -6.214 152 HD2 PHE 22 2HD PHE 22 8.303 -3.889 -3.778 153 HE1 PHE 22 1HE PHE 22 9.345 -0.842 -7.497 154 HE2 PHE 22 2HE PHE 22 10.385 -4.180 -5.056 155 HZ PHE 22 HZ PHE 22 10.908 -2.655 -6.918 156 H GLY 23 H GLY 23 3.962 -0.533 -3.308 157 HA2 GLY 23 2HA GLY 23 2.768 -2.150 -1.467 158 HA3 GLY 23 1HA GLY 23 3.256 -0.742 -0.536 159 H PHE 24 H PHE 24 0.650 -1.977 -1.549 160 HA PHE 24 HA PHE 24 -0.837 0.401 -1.686 161 HB2 PHE 24 2HB PHE 24 -1.751 0.205 -3.976 162 HB3 PHE 24 1HB PHE 24 -0.034 0.586 -3.986 163 HD1 PHE 24 2HD PHE 24 1.610 -1.103 -4.675 164 HD2 PHE 24 1HD PHE 24 -2.574 -1.859 -4.863 165 HE1 PHE 24 2HE PHE 24 2.026 -3.015 -6.166 166 HE2 PHE 24 1HE PHE 24 -2.165 -3.771 -6.353 167 HZ PHE 24 HZ PHE 24 0.137 -4.352 -7.007 168 H CYS 25 H CYS 25 -3.205 -0.210 -2.334 169 HA CYS 25 HA CYS 25 -3.966 -2.332 -0.643 170 HB2 CYS 25 2HB CYS 25 -5.674 -1.009 -2.753 171 HB3 CYS 25 1HB CYS 25 -6.227 -1.836 -1.300 172 H ALA 26 H ALA 26 -3.881 -4.410 -1.012 173 HA ALA 26 HA ALA 26 -4.572 -5.457 -3.651 174 HB1 ALA 26 1HB ALA 26 -2.652 -6.973 -3.656 175 HB2 ALA 26 2HB ALA 26 -2.059 -6.233 -2.170 176 HB3 ALA 26 3HB ALA 26 -2.131 -5.287 -3.657 177 H GLY 27 H GLY 27 -4.819 -7.903 -3.510 178 HA2 GLY 27 2HA GLY 27 -5.467 -9.832 -2.345 179 HA3 GLY 27 1HA GLY 27 -5.448 -8.905 -0.849 180 HA PRO 28 HA PRO 28 -9.888 -8.944 -1.301 181 HB2 PRO 28 2HB PRO 28 -10.015 -7.067 0.918 182 HB3 PRO 28 1HB PRO 28 -10.496 -8.763 0.876 183 HG2 PRO 28 2HG PRO 28 -8.359 -7.860 2.293 184 HG3 PRO 28 1HG PRO 28 -8.453 -9.495 1.614 185 HD2 PRO 28 2HD PRO 28 -7.006 -7.089 0.571 186 HD3 PRO 28 1HD PRO 28 -6.481 -8.786 0.627 187 H LEU 29 H LEU 29 -9.037 -7.533 -3.254 188 HA LEU 29 HA LEU 29 -9.496 -5.825 -4.668 189 HB2 LEU 29 2HB LEU 29 -11.498 -5.018 -2.554 190 HB3 LEU 29 1HB LEU 29 -11.395 -4.316 -4.158 191 HG LEU 29 HG LEU 29 -11.999 -7.223 -3.606 192 HD11 LEU 29 1HD1 LEU 29 -14.295 -6.668 -4.232 193 HD12 LEU 29 2HD1 LEU 29 -13.855 -4.964 -4.340 194 HD13 LEU 29 3HD1 LEU 29 -13.791 -5.794 -2.785 195 HD21 LEU 29 3HD2 LEU 29 -12.138 -5.589 -6.137 196 HD22 LEU 29 1HD2 LEU 29 -12.655 -7.267 -5.965 197 HD23 LEU 29 2HD2 LEU 29 -10.954 -6.843 -5.771 198 H ARG 30 H ARG 30 -10.084 -3.124 -4.185 199 HA ARG 30 HA ARG 30 -7.494 -2.238 -3.266 200 HB2 ARG 30 2HB ARG 30 -8.792 -1.343 -5.305 201 HB3 ARG 30 1HB ARG 30 -9.759 -0.450 -4.139 202 HG2 ARG 30 2HG ARG 30 -8.225 1.137 -4.014 203 HG3 ARG 30 1HG ARG 30 -6.983 -0.039 -3.587 204 HD2 ARG 30 2HD ARG 30 -6.282 1.106 -5.570 205 HD3 ARG 30 1HD ARG 30 -6.716 -0.544 -6.011 206 HE ARG 30 HE ARG 30 -8.875 0.422 -6.795 207 HH11 ARG 30 1HH1 ARG 30 -6.009 2.438 -6.576 208 HH12 ARG 30 2HH1 ARG 30 -6.545 3.542 -7.804 209 HH21 ARG 30 1HH2 ARG 30 -9.573 1.885 -8.427 210 HH22 ARG 30 2HH2 ARG 30 -8.564 3.225 -8.856 211 H ALA 31 H ALA 31 -8.255 -3.220 -1.092 212 HA ALA 31 HA ALA 31 -9.458 -1.055 0.506 213 HB1 ALA 31 1HB ALA 31 -10.398 -2.727 1.994 214 HB2 ALA 31 2HB ALA 31 -9.691 -4.016 1.019 215 HB3 ALA 31 3HB ALA 31 -10.953 -2.987 0.341 216 H THR 32 H THR 32 -7.754 -4.069 1.327 217 HA THR 32 HA THR 32 -6.253 -2.711 3.373 218 HB THR 32 HB THR 32 -5.704 -5.525 2.495 219 HG1 THR 32 1HG THR 32 -7.516 -5.989 4.067 220 HG21 THR 32 3HG2 THR 32 -5.392 -5.860 4.905 221 HG22 THR 32 1HG2 THR 32 -5.833 -4.178 5.199 222 HG23 THR 32 2HG2 THR 32 -4.362 -4.562 4.304 223 H CYS 33 H CYS 33 -4.226 -1.931 3.226 224 HA CYS 33 HA CYS 33 -2.879 -1.991 0.694 225 HB2 CYS 33 2HB CYS 33 -2.064 -0.833 3.354 226 HB3 CYS 33 1HB CYS 33 -1.082 -0.725 1.909 227 H THR 34 H THR 34 -1.317 -3.230 0.061 228 HA THR 34 HA THR 34 0.022 -4.993 2.006 229 HB THR 34 HB THR 34 -0.378 -5.811 -0.853 230 HG1 THR 34 1HG THR 34 -2.353 -5.434 0.952 231 HG21 THR 34 3HG2 THR 34 1.162 -7.101 0.543 232 HG22 THR 34 1HG2 THR 34 -0.254 -8.062 0.118 233 HG23 THR 34 2HG2 THR 34 -0.118 -7.358 1.729 234 H CYS 35 H CYS 35 2.163 -4.713 2.040 235 HA CYS 35 HA CYS 35 3.378 -2.952 0.112 236 HB2 CYS 35 2HB CYS 35 4.744 -4.432 2.356 237 HB3 CYS 35 1HB CYS 35 5.299 -2.978 1.534 238 H GLY 36 H GLY 36 5.370 -3.495 -1.010 239 HA2 GLY 36 2HA GLY 36 5.107 -5.746 -2.647 240 HA3 GLY 36 1HA GLY 36 6.541 -4.747 -2.522 241 H LYS 37 H LYS 37 6.769 -5.409 0.370 242 HA LYS 37 HA LYS 37 7.665 -8.195 0.109 243 HB2 LYS 37 2HB LYS 37 9.172 -5.819 1.153 244 HB3 LYS 37 1HB LYS 37 9.533 -7.430 1.761 245 HG2 LYS 37 2HG LYS 37 9.811 -8.106 -0.681 246 HG3 LYS 37 1HG LYS 37 9.835 -6.376 -1.029 247 HD2 LYS 37 2HD LYS 37 11.775 -6.052 0.307 248 HD3 LYS 37 1HD LYS 37 11.664 -7.682 0.976 249 HE2 LYS 37 2HE LYS 37 12.242 -6.974 -1.900 250 HE3 LYS 37 1HE LYS 37 13.418 -7.539 -0.716 251 HZ1 LYS 37 3HZ LYS 37 12.682 -9.333 -2.154 252 HZ2 LYS 37 1HZ LYS 37 11.073 -9.081 -1.691 253 HZ3 LYS 37 2HZ LYS 37 12.206 -9.624 -0.557 254 H GLN 38 H GLN 38 5.223 -7.613 1.091 255 HA GLN 38 HA GLN 38 3.812 -7.950 2.828 256 HB2 GLN 38 2HB GLN 38 6.218 -9.289 4.087 257 HB3 GLN 38 1HB GLN 38 4.556 -9.453 4.633 258 HG2 GLN 38 2HG GLN 38 5.458 -10.246 1.880 259 HG3 GLN 38 1HG GLN 38 5.477 -11.347 3.255 260 HE21 GLN 38 1HE2 GLN 38 3.994 -12.734 2.346 261 HE22 GLN 38 2HE2 GLN 38 2.323 -12.335 2.176 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -10.098 3.539 1.704 2 H2 GLY 1 2HT GLY 1 -10.293 2.014 1.000 3 H3 GLY 1 3HT GLY 1 -8.971 2.983 0.569 4 HA2 GLY 1 1HA GLY 1 -9.463 1.700 3.198 5 HA3 GLY 1 2HA GLY 1 -8.195 1.293 2.046 6 H PHE 2 H PHE 2 -6.482 1.746 3.421 7 HA PHE 2 HA PHE 2 -6.262 4.106 4.957 8 HB2 PHE 2 2HB PHE 2 -4.934 2.075 5.414 9 HB3 PHE 2 1HB PHE 2 -4.063 2.309 3.901 10 HD1 PHE 2 2HD PHE 2 -4.624 3.657 7.276 11 HD2 PHE 2 1HD PHE 2 -2.283 3.878 3.730 12 HE1 PHE 2 2HE PHE 2 -2.989 5.074 8.447 13 HE2 PHE 2 1HE PHE 2 -0.645 5.295 4.895 14 HZ PHE 2 HZ PHE 2 -0.997 5.895 7.256 15 H GLY 3 H GLY 3 -4.918 3.191 1.804 16 HA2 GLY 3 2HA GLY 3 -4.264 6.029 1.358 17 HA3 GLY 3 1HA GLY 3 -3.457 4.681 0.566 18 H CYS 4 H CYS 4 -4.727 3.397 -0.949 19 HA CYS 4 HA CYS 4 -6.186 5.063 -2.731 20 HB2 CYS 4 2HB CYS 4 -6.542 2.263 -3.294 21 HB3 CYS 4 1HB CYS 4 -5.593 3.457 -4.176 22 HA PRO 5 HA PRO 5 -7.629 4.455 -4.465 23 HB2 PRO 5 2HB PRO 5 -9.899 5.572 -5.322 24 HB3 PRO 5 1HB PRO 5 -9.719 3.818 -5.205 25 HG2 PRO 5 2HG PRO 5 -11.096 5.714 -3.348 26 HG3 PRO 5 1HG PRO 5 -11.615 4.109 -3.897 27 HD2 PRO 5 2HD PRO 5 -10.414 4.601 -1.474 28 HD3 PRO 5 1HD PRO 5 -10.368 3.038 -2.311 29 H PHE 6 H PHE 6 -8.253 6.275 -1.793 30 HA PHE 6 HA PHE 6 -8.534 8.886 -2.794 31 HB2 PHE 6 2HB PHE 6 -7.175 8.091 -0.212 32 HB3 PHE 6 1HB PHE 6 -7.928 9.639 -0.583 33 HD1 PHE 6 2HD PHE 6 -10.445 9.627 -1.064 34 HD2 PHE 6 1HD PHE 6 -8.394 6.408 0.816 35 HE1 PHE 6 2HE PHE 6 -12.578 8.805 -0.155 36 HE2 PHE 6 1HE PHE 6 -10.523 5.578 1.728 37 HZ PHE 6 HZ PHE 6 -12.618 6.777 1.241 38 H ASN 7 H ASN 7 -5.586 7.605 -1.225 39 HA ASN 7 HA ASN 7 -4.053 8.826 -3.397 40 HB2 ASN 7 2HB ASN 7 -4.170 10.432 -1.479 41 HB3 ASN 7 1HB ASN 7 -3.287 9.250 -0.513 42 HD21 ASN 7 1HD2 ASN 7 -1.741 11.050 -0.344 43 HD22 ASN 7 2HD2 ASN 7 -0.561 11.226 -1.605 44 H GLU 8 H GLU 8 -3.053 7.217 -4.303 45 HA GLU 8 HA GLU 8 -2.294 4.830 -3.035 46 HB2 GLU 8 2HB GLU 8 -1.541 4.158 -5.086 47 HB3 GLU 8 1HB GLU 8 -2.488 5.537 -5.611 48 HG2 GLU 8 2HG GLU 8 -0.568 5.888 -6.779 49 HG3 GLU 8 1HG GLU 8 -0.218 6.817 -5.324 50 H ASN 9 H ASN 9 -0.726 7.901 -3.527 51 HA ASN 9 HA ASN 9 1.881 7.157 -2.760 52 HB2 ASN 9 2HB ASN 9 0.414 9.728 -3.051 53 HB3 ASN 9 1HB ASN 9 1.870 9.744 -2.059 54 HD21 ASN 9 1HD2 ASN 9 0.584 9.265 -5.256 55 HD22 ASN 9 2HD2 ASN 9 2.096 9.334 -6.087 56 H GLU 10 H GLU 10 -0.966 8.051 -0.900 57 HA GLU 10 HA GLU 10 0.383 8.392 1.579 58 HB2 GLU 10 2HB GLU 10 -2.324 8.458 0.663 59 HB3 GLU 10 1HB GLU 10 -2.241 7.346 2.023 60 HG2 GLU 10 2HG GLU 10 -2.773 9.513 2.854 61 HG3 GLU 10 1HG GLU 10 -1.122 9.126 3.339 62 H CYS 11 H CYS 11 -1.347 5.657 0.104 63 HA CYS 11 HA CYS 11 -0.690 3.827 2.183 64 HB2 CYS 11 2HB CYS 11 -2.461 3.250 0.650 65 HB3 CYS 11 1HB CYS 11 -1.385 3.382 -0.732 66 H HIS 12 H HIS 12 0.829 4.696 -0.838 67 HA HIS 12 HA HIS 12 2.942 2.874 -0.890 68 HB2 HIS 12 2HB HIS 12 2.054 4.652 -2.625 69 HB3 HIS 12 1HB HIS 12 3.292 5.669 -1.898 70 HD1 HIS 12 1HD HIS 12 3.147 4.371 -4.870 71 HD2 HIS 12 2HD HIS 12 5.600 3.275 -1.687 72 HE1 HIS 12 1HE HIS 12 5.147 3.220 -5.903 73 HE2 HIS 12 2HE HIS 12 6.650 2.635 -3.962 74 H ALA 13 H ALA 13 2.898 6.238 0.311 75 HA ALA 13 HA ALA 13 5.542 6.321 1.213 76 HB1 ALA 13 1HB ALA 13 4.151 8.322 0.961 77 HB2 ALA 13 2HB ALA 13 4.863 8.228 2.572 78 HB3 ALA 13 3HB ALA 13 3.166 7.807 2.332 79 H HIS 14 H HIS 14 2.545 5.422 2.910 80 HA HIS 14 HA HIS 14 3.672 4.960 5.431 81 HB2 HIS 14 2HB HIS 14 1.221 4.905 4.904 82 HB3 HIS 14 1HB HIS 14 1.461 3.333 4.159 83 HD1 HIS 14 1HD HIS 14 2.597 4.728 7.527 84 HD2 HIS 14 2HD HIS 14 0.561 1.485 5.902 85 HE1 HIS 14 1HE HIS 14 2.067 3.220 9.471 86 HE2 HIS 14 2HE HIS 14 0.787 1.292 8.473 87 H CYS 15 H CYS 15 3.128 2.691 2.772 88 HA CYS 15 HA CYS 15 4.343 0.445 3.881 89 HB2 CYS 15 2HB CYS 15 3.188 1.133 1.430 90 HB3 CYS 15 1HB CYS 15 4.828 0.641 1.029 91 H LEU 16 H LEU 16 5.685 3.114 2.084 92 HA LEU 16 HA LEU 16 8.281 2.191 1.676 93 HB2 LEU 16 2HB LEU 16 7.031 4.885 1.921 94 HB3 LEU 16 1HB LEU 16 8.774 4.765 1.896 95 HG LEU 16 HG LEU 16 6.993 3.642 -0.267 96 HD11 LEU 16 1HD1 LEU 16 7.591 5.588 -1.591 97 HD12 LEU 16 2HD1 LEU 16 8.503 6.252 -0.235 98 HD13 LEU 16 3HD1 LEU 16 6.752 6.077 -0.119 99 HD21 LEU 16 3HD2 LEU 16 9.036 3.534 -1.569 100 HD22 LEU 16 1HD2 LEU 16 9.216 2.614 -0.074 101 HD23 LEU 16 2HD2 LEU 16 9.955 4.209 -0.221 102 H SER 17 H SER 17 6.762 3.570 4.496 103 HA SER 17 HA SER 17 9.190 4.057 5.931 104 HB2 SER 17 2HB SER 17 6.511 3.711 7.244 105 HB3 SER 17 1HB SER 17 7.832 4.789 7.689 106 HG SER 17 HG SER 17 6.981 5.354 5.198 107 H ILE 18 H ILE 18 7.160 1.256 5.472 108 HA ILE 18 HA ILE 18 8.413 -0.026 7.794 109 HB ILE 18 HB ILE 18 6.775 -1.935 7.234 110 HG12 ILE 18 2HG1 ILE 18 5.437 0.348 5.767 111 HG13 ILE 18 1HG1 ILE 18 6.107 -1.097 5.015 112 HG21 ILE 18 1HG2 ILE 18 5.798 0.721 8.274 113 HG22 ILE 18 2HG2 ILE 18 6.599 -0.544 9.206 114 HG23 ILE 18 3HG2 ILE 18 4.996 -0.829 8.527 115 HD11 ILE 18 3HD1 ILE 18 4.467 -2.474 6.131 116 HD12 ILE 18 1HD1 ILE 18 3.670 -1.185 5.230 117 HD13 ILE 18 2HD1 ILE 18 3.831 -1.066 6.983 118 H GLY 19 H GLY 19 9.868 0.518 5.360 119 HA2 GLY 19 2HA GLY 19 11.700 -0.664 4.507 120 HA3 GLY 19 1HA GLY 19 10.943 -2.162 5.011 121 H ARG 20 H ARG 20 8.405 -1.386 3.622 122 HA ARG 20 HA ARG 20 8.969 -2.688 1.168 123 HB2 ARG 20 2HB ARG 20 6.496 -1.082 1.292 124 HB3 ARG 20 1HB ARG 20 6.721 -2.772 0.870 125 HG2 ARG 20 2HG ARG 20 6.803 -1.721 3.687 126 HG3 ARG 20 1HG ARG 20 5.359 -2.370 2.914 127 HD2 ARG 20 2HD ARG 20 7.110 -4.369 2.441 128 HD3 ARG 20 1HD ARG 20 7.731 -3.754 3.974 129 HE ARG 20 HE ARG 20 5.035 -4.855 3.502 130 HH11 ARG 20 1HH1 ARG 20 7.519 -3.749 5.737 131 HH12 ARG 20 2HH1 ARG 20 6.763 -4.475 7.115 132 HH21 ARG 20 1HH2 ARG 20 4.043 -5.793 5.305 133 HH22 ARG 20 2HH2 ARG 20 4.783 -5.637 6.874 134 H LYS 21 H LYS 21 9.054 -1.873 -0.942 135 HA LYS 21 HA LYS 21 9.608 0.999 -1.071 136 HB2 LYS 21 2HB LYS 21 10.586 -1.248 -2.819 137 HB3 LYS 21 1HB LYS 21 10.870 0.453 -3.166 138 HG2 LYS 21 2HG LYS 21 11.789 -1.007 -0.695 139 HG3 LYS 21 1HG LYS 21 12.796 -0.591 -2.083 140 HD2 LYS 21 2HD LYS 21 13.068 1.516 -1.380 141 HD3 LYS 21 1HD LYS 21 11.350 1.702 -1.021 142 HE2 LYS 21 2HE LYS 21 12.659 -0.062 0.868 143 HE3 LYS 21 1HE LYS 21 13.436 1.519 0.813 144 HZ1 LYS 21 3HZ LYS 21 11.309 2.558 1.246 145 HZ2 LYS 21 1HZ LYS 21 11.647 1.427 2.455 146 HZ3 LYS 21 2HZ LYS 21 10.526 1.058 1.241 147 H PHE 22 H PHE 22 7.914 -1.584 -2.698 148 HA PHE 22 HA PHE 22 6.225 0.441 -3.986 149 HB2 PHE 22 2HB PHE 22 6.749 -2.158 -5.374 150 HB3 PHE 22 1HB PHE 22 6.191 -0.639 -6.048 151 HD1 PHE 22 1HD PHE 22 7.828 1.274 -6.242 152 HD2 PHE 22 2HD PHE 22 9.029 -2.722 -5.404 153 HE1 PHE 22 1HE PHE 22 10.116 1.815 -6.963 154 HE2 PHE 22 2HE PHE 22 11.320 -2.189 -6.121 155 HZ PHE 22 HZ PHE 22 11.866 0.083 -6.902 156 H GLY 23 H GLY 23 4.093 -0.351 -4.552 157 HA2 GLY 23 2HA GLY 23 2.718 -2.533 -4.152 158 HA3 GLY 23 1HA GLY 23 3.105 -2.153 -2.479 159 H PHE 24 H PHE 24 0.494 -2.313 -3.318 160 HA PHE 24 HA PHE 24 -0.486 0.271 -2.594 161 HB2 PHE 24 2HB PHE 24 -1.921 0.591 -4.610 162 HB3 PHE 24 1HB PHE 24 -0.203 0.765 -4.947 163 HD1 PHE 24 2HD PHE 24 0.984 -0.926 -6.253 164 HD2 PHE 24 1HD PHE 24 -3.205 -1.204 -5.554 165 HE1 PHE 24 2HE PHE 24 0.794 -2.582 -8.063 166 HE2 PHE 24 1HE PHE 24 -3.401 -2.859 -7.363 167 HZ PHE 24 HZ PHE 24 -1.400 -3.550 -8.620 168 H CYS 25 H CYS 25 -3.084 0.132 -3.014 169 HA CYS 25 HA CYS 25 -3.917 -1.998 -1.342 170 HB2 CYS 25 2HB CYS 25 -5.747 -0.282 -3.010 171 HB3 CYS 25 1HB CYS 25 -6.092 -1.057 -1.467 172 H ALA 26 H ALA 26 -4.067 -4.013 -1.933 173 HA ALA 26 HA ALA 26 -5.271 -4.657 -4.539 174 HB1 ALA 26 1HB ALA 26 -2.858 -5.043 -4.658 175 HB2 ALA 26 2HB ALA 26 -3.749 -6.563 -4.743 176 HB3 ALA 26 3HB ALA 26 -2.950 -6.091 -3.242 177 H GLY 27 H GLY 27 -5.242 -7.460 -4.126 178 HA2 GLY 27 2HA GLY 27 -6.275 -9.160 -2.942 179 HA3 GLY 27 1HA GLY 27 -6.491 -8.048 -1.599 180 HA PRO 28 HA PRO 28 -10.547 -8.875 -3.948 181 HB2 PRO 28 2HB PRO 28 -11.415 -10.073 -1.406 182 HB3 PRO 28 1HB PRO 28 -11.542 -10.711 -3.047 183 HG2 PRO 28 2HG PRO 28 -9.830 -11.748 -1.253 184 HG3 PRO 28 1HG PRO 28 -9.444 -11.667 -2.983 185 HD2 PRO 28 2HD PRO 28 -8.522 -9.897 -0.749 186 HD3 PRO 28 1HD PRO 28 -7.606 -10.540 -2.129 187 H LEU 29 H LEU 29 -9.668 -7.718 -0.767 188 HA LEU 29 HA LEU 29 -12.119 -6.370 -0.223 189 HB2 LEU 29 2HB LEU 29 -9.347 -6.127 0.930 190 HB3 LEU 29 1HB LEU 29 -10.665 -5.100 1.456 191 HG LEU 29 HG LEU 29 -10.585 -6.785 3.063 192 HD11 LEU 29 1HD1 LEU 29 -12.852 -6.434 2.271 193 HD12 LEU 29 2HD1 LEU 29 -12.616 -8.111 2.762 194 HD13 LEU 29 3HD1 LEU 29 -12.636 -7.687 1.050 195 HD21 LEU 29 3HD2 LEU 29 -10.305 -8.798 0.836 196 HD22 LEU 29 1HD2 LEU 29 -10.421 -9.178 2.555 197 HD23 LEU 29 2HD2 LEU 29 -9.034 -8.276 1.943 198 H ARG 30 H ARG 30 -9.263 -5.637 -2.004 199 HA ARG 30 HA ARG 30 -8.720 -3.997 -3.454 200 HB2 ARG 30 2HB ARG 30 -11.560 -3.119 -2.976 201 HB3 ARG 30 1HB ARG 30 -10.480 -2.311 -4.103 202 HG2 ARG 30 2HG ARG 30 -11.452 -5.156 -4.239 203 HG3 ARG 30 1HG ARG 30 -11.867 -3.827 -5.322 204 HD2 ARG 30 2HD ARG 30 -9.144 -5.082 -4.987 205 HD3 ARG 30 1HD ARG 30 -10.230 -5.294 -6.359 206 HE ARG 30 HE ARG 30 -9.880 -2.937 -6.874 207 HH11 ARG 30 1HH1 ARG 30 -7.625 -4.460 -4.686 208 HH12 ARG 30 2HH1 ARG 30 -6.365 -3.292 -4.949 209 HH21 ARG 30 1HH2 ARG 30 -8.206 -1.400 -7.253 210 HH22 ARG 30 2HH2 ARG 30 -6.694 -1.565 -6.421 211 H ALA 31 H ALA 31 -10.054 -3.039 -0.383 212 HA ALA 31 HA ALA 31 -8.670 -0.467 -0.489 213 HB1 ALA 31 1HB ALA 31 -10.480 -1.624 1.629 214 HB2 ALA 31 2HB ALA 31 -10.965 -0.514 0.347 215 HB3 ALA 31 3HB ALA 31 -9.840 0.019 1.597 216 H THR 32 H THR 32 -7.844 -3.535 0.228 217 HA THR 32 HA THR 32 -6.306 -3.023 2.634 218 HB THR 32 HB THR 32 -5.537 -5.485 1.944 219 HG1 THR 32 1HG THR 32 -6.643 -5.531 -0.036 220 HG21 THR 32 3HG2 THR 32 -7.414 -6.354 3.272 221 HG22 THR 32 1HG2 THR 32 -8.246 -4.809 3.101 222 HG23 THR 32 2HG2 THR 32 -6.730 -4.899 3.998 223 H CYS 33 H CYS 33 -4.316 -2.141 2.504 224 HA CYS 33 HA CYS 33 -2.901 -1.899 0.058 225 HB2 CYS 33 2HB CYS 33 -2.149 -1.378 2.914 226 HB3 CYS 33 1HB CYS 33 -0.973 -1.222 1.624 227 H THR 34 H THR 34 -1.326 -3.067 -0.800 228 HA THR 34 HA THR 34 -0.147 -5.287 0.705 229 HB THR 34 HB THR 34 -1.001 -5.789 -2.121 230 HG1 THR 34 1HG THR 34 -2.663 -5.542 0.101 231 HG21 THR 34 3HG2 THR 34 0.485 -7.378 -0.992 232 HG22 THR 34 1HG2 THR 34 -1.084 -8.106 -1.333 233 HG23 THR 34 2HG2 THR 34 -0.699 -7.568 0.301 234 H CYS 35 H CYS 35 1.999 -5.221 0.468 235 HA CYS 35 HA CYS 35 3.057 -3.847 -1.901 236 HB2 CYS 35 2HB CYS 35 3.951 -3.872 0.957 237 HB3 CYS 35 1HB CYS 35 5.113 -3.540 -0.326 238 H GLY 36 H GLY 36 5.419 -4.487 -2.336 239 HA2 GLY 36 2HA GLY 36 5.472 -7.145 -3.209 240 HA3 GLY 36 1HA GLY 36 6.865 -6.083 -3.110 241 H LYS 37 H LYS 37 6.429 -5.787 -0.188 242 HA LYS 37 HA LYS 37 7.508 -8.399 0.627 243 HB2 LYS 37 2HB LYS 37 8.222 -5.620 1.572 244 HB3 LYS 37 1HB LYS 37 8.688 -7.071 2.447 245 HG2 LYS 37 2HG LYS 37 9.827 -7.834 0.326 246 HG3 LYS 37 1HG LYS 37 9.554 -6.205 -0.295 247 HD2 LYS 37 2HD LYS 37 11.784 -6.378 0.648 248 HD3 LYS 37 1HD LYS 37 10.796 -5.286 1.620 249 HE2 LYS 37 2HE LYS 37 12.149 -6.792 3.010 250 HE3 LYS 37 1HE LYS 37 10.420 -7.035 3.256 251 HZ1 LYS 37 3HZ LYS 37 12.210 -8.733 1.600 252 HZ2 LYS 37 1HZ LYS 37 10.539 -8.951 1.758 253 HZ3 LYS 37 2HZ LYS 37 11.547 -9.144 3.101 254 H GLN 38 H GLN 38 4.773 -7.732 0.546 255 HA GLN 38 HA GLN 38 2.882 -7.978 1.757 256 HB2 GLN 38 2HB GLN 38 4.843 -8.755 3.919 257 HB3 GLN 38 1HB GLN 38 3.100 -8.789 4.147 258 HG2 GLN 38 2HG GLN 38 2.885 -10.407 2.338 259 HG3 GLN 38 1HG GLN 38 4.630 -10.365 2.090 260 HE21 GLN 38 1HE2 GLN 38 2.066 -11.356 4.227 261 HE22 GLN 38 2HE2 GLN 38 3.003 -12.469 5.157 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -10.245 2.747 -0.668 2 H2 GLY 1 2HT GLY 1 -10.054 1.242 -1.417 3 H3 GLY 1 3HT GLY 1 -8.893 2.456 -1.646 4 HA2 GLY 1 1HA GLY 1 -9.485 1.027 0.884 5 HA3 GLY 1 2HA GLY 1 -8.039 0.851 -0.104 6 H PHE 2 H PHE 2 -6.642 1.511 1.525 7 HA PHE 2 HA PHE 2 -6.994 3.899 3.009 8 HB2 PHE 2 2HB PHE 2 -4.568 2.182 2.471 9 HB3 PHE 2 1HB PHE 2 -4.525 3.598 3.518 10 HD1 PHE 2 2HD PHE 2 -5.835 0.191 3.121 11 HD2 PHE 2 1HD PHE 2 -5.508 3.565 5.695 12 HE1 PHE 2 2HE PHE 2 -6.602 -1.182 5.014 13 HE2 PHE 2 1HE PHE 2 -6.273 2.198 7.591 14 HZ PHE 2 HZ PHE 2 -6.824 -0.178 7.251 15 H GLY 3 H GLY 3 -4.609 3.156 0.456 16 HA2 GLY 3 2HA GLY 3 -4.372 6.029 -0.056 17 HA3 GLY 3 1HA GLY 3 -3.273 4.783 -0.632 18 H CYS 4 H CYS 4 -4.394 3.141 -2.125 19 HA CYS 4 HA CYS 4 -5.315 4.547 -4.405 20 HB2 CYS 4 2HB CYS 4 -5.887 1.743 -4.582 21 HB3 CYS 4 1HB CYS 4 -4.621 2.663 -5.392 22 HA PRO 5 HA PRO 5 -6.319 4.405 -6.081 23 HB2 PRO 5 2HB PRO 5 -8.513 5.474 -7.419 24 HB3 PRO 5 1HB PRO 5 -7.926 3.818 -7.567 25 HG2 PRO 5 2HG PRO 5 -10.391 4.668 -6.460 26 HG3 PRO 5 1HG PRO 5 -9.719 3.031 -6.436 27 HD2 PRO 5 2HD PRO 5 -9.701 5.118 -4.319 28 HD3 PRO 5 1HD PRO 5 -9.709 3.347 -4.166 29 H PHE 6 H PHE 6 -7.660 6.187 -3.720 30 HA PHE 6 HA PHE 6 -7.954 8.766 -4.767 31 HB2 PHE 6 2HB PHE 6 -8.777 8.073 -2.541 32 HB3 PHE 6 1HB PHE 6 -7.115 7.981 -1.969 33 HD1 PHE 6 2HD PHE 6 -9.467 10.386 -3.574 34 HD2 PHE 6 1HD PHE 6 -6.216 9.805 -0.890 35 HE1 PHE 6 2HE PHE 6 -9.556 12.766 -2.958 36 HE2 PHE 6 1HE PHE 6 -6.300 12.184 -0.268 37 HZ PHE 6 HZ PHE 6 -7.971 13.667 -1.303 38 H ASN 7 H ASN 7 -5.201 7.607 -2.780 39 HA ASN 7 HA ASN 7 -3.467 9.237 -4.489 40 HB2 ASN 7 2HB ASN 7 -4.058 10.531 -2.437 41 HB3 ASN 7 1HB ASN 7 -3.280 9.276 -1.475 42 HD21 ASN 7 1HD2 ASN 7 -2.030 11.204 -0.780 43 HD22 ASN 7 2HD2 ASN 7 -0.623 11.613 -1.716 44 H GLU 8 H GLU 8 -2.288 7.752 -5.435 45 HA GLU 8 HA GLU 8 -1.455 5.300 -4.353 46 HB2 GLU 8 2HB GLU 8 -1.472 6.045 -6.814 47 HB3 GLU 8 1HB GLU 8 0.053 6.844 -6.466 48 HG2 GLU 8 2HG GLU 8 -0.313 3.932 -5.888 49 HG3 GLU 8 1HG GLU 8 0.068 4.489 -7.514 50 H ASN 9 H ASN 9 0.068 8.466 -4.561 51 HA ASN 9 HA ASN 9 2.577 7.866 -3.525 52 HB2 ASN 9 2HB ASN 9 0.918 10.385 -3.289 53 HB3 ASN 9 1HB ASN 9 2.603 10.277 -2.795 54 HD21 ASN 9 1HD2 ASN 9 4.199 10.094 -4.374 55 HD22 ASN 9 2HD2 ASN 9 3.888 10.425 -6.038 56 H GLU 10 H GLU 10 -0.461 8.497 -1.844 57 HA GLU 10 HA GLU 10 0.693 8.612 0.760 58 HB2 GLU 10 2HB GLU 10 -1.873 8.975 -0.351 59 HB3 GLU 10 1HB GLU 10 -2.028 7.679 0.827 60 HG2 GLU 10 2HG GLU 10 -1.463 9.030 2.596 61 HG3 GLU 10 1HG GLU 10 -0.580 10.171 1.582 62 H CYS 11 H CYS 11 -0.999 6.031 -1.031 63 HA CYS 11 HA CYS 11 -0.672 4.056 0.977 64 HB2 CYS 11 2HB CYS 11 -2.219 3.811 -0.945 65 HB3 CYS 11 1HB CYS 11 -0.841 3.698 -2.031 66 H HIS 12 H HIS 12 1.282 5.060 -1.745 67 HA HIS 12 HA HIS 12 3.345 3.170 -1.541 68 HB2 HIS 12 2HB HIS 12 2.733 5.028 -3.348 69 HB3 HIS 12 1HB HIS 12 3.916 5.963 -2.437 70 HD1 HIS 12 1HD HIS 12 3.776 4.072 -5.346 71 HD2 HIS 12 2HD HIS 12 6.345 4.063 -2.082 72 HE1 HIS 12 1HE HIS 12 5.939 3.064 -6.174 73 HE2 HIS 12 2HE HIS 12 7.394 2.876 -4.122 74 H ALA 13 H ALA 13 3.011 6.456 -0.217 75 HA ALA 13 HA ALA 13 5.479 6.591 1.102 76 HB1 ALA 13 1HB ALA 13 4.511 8.385 2.426 77 HB2 ALA 13 2HB ALA 13 2.889 7.913 1.919 78 HB3 ALA 13 3HB ALA 13 4.034 8.548 0.736 79 H HIS 14 H HIS 14 2.311 5.415 2.183 80 HA HIS 14 HA HIS 14 2.909 4.840 4.834 81 HB2 HIS 14 2HB HIS 14 0.655 4.514 4.050 82 HB3 HIS 14 1HB HIS 14 1.173 3.317 2.876 83 HD1 HIS 14 1HD HIS 14 1.266 3.688 6.677 84 HD2 HIS 14 2HD HIS 14 0.785 0.786 3.738 85 HE1 HIS 14 1HE HIS 14 0.883 1.529 7.912 86 HE2 HIS 14 2HE HIS 14 0.760 -0.231 6.114 87 H CYS 15 H CYS 15 3.119 2.644 2.060 88 HA CYS 15 HA CYS 15 4.478 0.580 3.386 89 HB2 CYS 15 2HB CYS 15 4.128 1.356 0.533 90 HB3 CYS 15 1HB CYS 15 5.355 0.152 0.915 91 H LEU 16 H LEU 16 5.675 3.435 1.796 92 HA LEU 16 HA LEU 16 8.424 2.827 1.795 93 HB2 LEU 16 2HB LEU 16 6.743 5.026 1.126 94 HB3 LEU 16 1HB LEU 16 8.018 5.628 2.163 95 HG LEU 16 HG LEU 16 9.711 5.016 0.629 96 HD11 LEU 16 1HD1 LEU 16 9.260 3.718 -1.409 97 HD12 LEU 16 2HD1 LEU 16 7.602 3.468 -0.863 98 HD13 LEU 16 3HD1 LEU 16 8.945 2.794 0.058 99 HD21 LEU 16 3HD2 LEU 16 8.384 7.003 0.000 100 HD22 LEU 16 1HD2 LEU 16 7.380 5.977 -1.026 101 HD23 LEU 16 2HD2 LEU 16 9.093 6.185 -1.393 102 H SER 17 H SER 17 6.265 3.919 4.279 103 HA SER 17 HA SER 17 8.299 4.947 6.021 104 HB2 SER 17 2HB SER 17 5.465 4.148 6.709 105 HB3 SER 17 1HB SER 17 6.523 5.203 7.645 106 HG SER 17 HG SER 17 5.960 5.859 4.974 107 H ILE 18 H ILE 18 7.219 1.789 5.255 108 HA ILE 18 HA ILE 18 8.278 0.831 7.827 109 HB ILE 18 HB ILE 18 7.174 -1.412 6.976 110 HG12 ILE 18 2HG1 ILE 18 5.511 0.726 5.625 111 HG13 ILE 18 1HG1 ILE 18 6.424 -0.542 4.816 112 HG21 ILE 18 1HG2 ILE 18 6.644 -0.271 9.056 113 HG22 ILE 18 2HG2 ILE 18 5.170 -0.831 8.265 114 HG23 ILE 18 3HG2 ILE 18 5.619 0.873 8.188 115 HD11 ILE 18 3HD1 ILE 18 4.040 -1.040 4.891 116 HD12 ILE 18 1HD1 ILE 18 4.078 -0.972 6.651 117 HD13 ILE 18 2HD1 ILE 18 4.976 -2.229 5.799 118 H GLY 19 H GLY 19 9.708 1.643 5.322 119 HA2 GLY 19 2HA GLY 19 11.892 0.961 4.757 120 HA3 GLY 19 1HA GLY 19 11.513 -0.656 5.319 121 H ARG 20 H ARG 20 9.058 -0.842 3.786 122 HA ARG 20 HA ARG 20 10.076 -2.038 1.460 123 HB2 ARG 20 2HB ARG 20 7.266 -1.170 2.156 124 HB3 ARG 20 1HB ARG 20 7.668 -2.115 0.731 125 HG2 ARG 20 2HG ARG 20 6.994 -3.736 2.219 126 HG3 ARG 20 1HG ARG 20 8.745 -3.756 2.423 127 HD2 ARG 20 2HD ARG 20 8.650 -2.760 4.495 128 HD3 ARG 20 1HD ARG 20 7.109 -1.973 4.165 129 HE ARG 20 HE ARG 20 6.299 -4.484 4.230 130 HH11 ARG 20 1HH1 ARG 20 8.568 -2.847 6.367 131 HH12 ARG 20 2HH1 ARG 20 8.202 -3.867 7.721 132 HH21 ARG 20 1HH2 ARG 20 5.806 -5.800 6.008 133 HH22 ARG 20 2HH2 ARG 20 6.635 -5.547 7.519 134 H LYS 21 H LYS 21 10.121 -1.389 -0.693 135 HA LYS 21 HA LYS 21 10.141 1.497 -1.053 136 HB2 LYS 21 2HB LYS 21 11.150 -0.705 -2.854 137 HB3 LYS 21 1HB LYS 21 11.300 1.014 -3.189 138 HG2 LYS 21 2HG LYS 21 12.603 -0.551 -0.979 139 HG3 LYS 21 1HG LYS 21 13.380 0.291 -2.321 140 HD2 LYS 21 2HD LYS 21 12.967 2.393 -1.401 141 HD3 LYS 21 1HD LYS 21 11.685 1.788 -0.351 142 HE2 LYS 21 2HE LYS 21 13.616 0.388 0.714 143 HE3 LYS 21 1HE LYS 21 14.651 1.611 -0.027 144 HZ1 LYS 21 3HZ LYS 21 14.113 2.239 2.216 145 HZ2 LYS 21 1HZ LYS 21 12.455 2.097 1.913 146 HZ3 LYS 21 2HZ LYS 21 13.353 3.313 1.153 147 H PHE 22 H PHE 22 8.203 -1.185 -1.853 148 HA PHE 22 HA PHE 22 6.478 0.580 -3.419 149 HB2 PHE 22 2HB PHE 22 6.778 -2.267 -4.302 150 HB3 PHE 22 1HB PHE 22 6.131 -0.900 -5.188 151 HD1 PHE 22 2HD PHE 22 7.666 0.817 -6.112 152 HD2 PHE 22 1HD PHE 22 9.087 -2.819 -4.416 153 HE1 PHE 22 2HE PHE 22 9.828 1.142 -7.236 154 HE2 PHE 22 1HE PHE 22 11.253 -2.499 -5.540 155 HZ PHE 22 HZ PHE 22 11.625 -0.517 -6.952 156 H GLY 23 H GLY 23 4.295 -0.171 -3.566 157 HA2 GLY 23 2HA GLY 23 3.166 -2.344 -2.309 158 HA3 GLY 23 1HA GLY 23 3.337 -1.119 -1.059 159 H PHE 24 H PHE 24 0.942 -2.310 -2.353 160 HA PHE 24 HA PHE 24 -0.473 0.174 -2.775 161 HB2 PHE 24 2HB PHE 24 -1.516 -0.633 -4.911 162 HB3 PHE 24 1HB PHE 24 0.185 -0.208 -5.053 163 HD1 PHE 24 1HD PHE 24 -2.245 -2.947 -5.080 164 HD2 PHE 24 2HD PHE 24 1.861 -1.894 -5.466 165 HE1 PHE 24 1HE PHE 24 -1.768 -5.164 -6.035 166 HE2 PHE 24 2HE PHE 24 2.344 -4.108 -6.423 167 HZ PHE 24 HZ PHE 24 0.528 -5.746 -6.709 168 H CYS 25 H CYS 25 -2.855 -0.281 -3.063 169 HA CYS 25 HA CYS 25 -3.736 -1.942 -0.965 170 HB2 CYS 25 2HB CYS 25 -5.505 -0.921 -3.177 171 HB3 CYS 25 1HB CYS 25 -5.915 -1.190 -1.487 172 H ALA 26 H ALA 26 -4.138 -4.034 -0.920 173 HA ALA 26 HA ALA 26 -4.746 -5.404 -3.455 174 HB1 ALA 26 1HB ALA 26 -3.131 -6.480 -1.147 175 HB2 ALA 26 2HB ALA 26 -2.497 -5.979 -2.714 176 HB3 ALA 26 3HB ALA 26 -3.571 -7.374 -2.602 177 H GLY 27 H GLY 27 -5.981 -7.414 -3.167 178 HA2 GLY 27 2HA GLY 27 -7.711 -8.662 -2.283 179 HA3 GLY 27 1HA GLY 27 -7.392 -7.907 -0.727 180 HA PRO 28 HA PRO 28 -10.551 -5.274 -3.496 181 HB2 PRO 28 2HB PRO 28 -12.457 -7.011 -4.456 182 HB3 PRO 28 1HB PRO 28 -11.107 -6.378 -5.403 183 HG2 PRO 28 2HG PRO 28 -11.365 -9.005 -3.990 184 HG3 PRO 28 1HG PRO 28 -10.700 -8.659 -5.599 185 HD2 PRO 28 2HD PRO 28 -9.095 -9.087 -3.502 186 HD3 PRO 28 1HD PRO 28 -8.691 -7.873 -4.735 187 H LEU 29 H LEU 29 -10.856 -7.772 -1.194 188 HA LEU 29 HA LEU 29 -13.543 -6.984 -0.400 189 HB2 LEU 29 2HB LEU 29 -11.673 -9.076 0.710 190 HB3 LEU 29 1HB LEU 29 -13.294 -8.774 1.307 191 HG LEU 29 HG LEU 29 -12.634 -9.693 -1.494 192 HD11 LEU 29 1HD1 LEU 29 -13.557 -11.840 -0.788 193 HD12 LEU 29 2HD1 LEU 29 -13.744 -11.224 0.853 194 HD13 LEU 29 3HD1 LEU 29 -12.133 -11.412 0.162 195 HD21 LEU 29 3HD2 LEU 29 -15.051 -10.093 -1.656 196 HD22 LEU 29 1HD2 LEU 29 -14.683 -8.387 -1.395 197 HD23 LEU 29 2HD2 LEU 29 -15.268 -9.378 -0.058 198 H ARG 30 H ARG 30 -10.426 -5.940 0.209 199 HA ARG 30 HA ARG 30 -11.324 -4.622 2.669 200 HB2 ARG 30 2HB ARG 30 -8.922 -6.361 2.364 201 HB3 ARG 30 1HB ARG 30 -8.806 -4.955 3.412 202 HG2 ARG 30 2HG ARG 30 -10.825 -7.178 3.667 203 HG3 ARG 30 1HG ARG 30 -9.382 -6.972 4.659 204 HD2 ARG 30 2HD ARG 30 -11.156 -6.102 5.944 205 HD3 ARG 30 1HD ARG 30 -10.318 -4.695 5.291 206 HE ARG 30 HE ARG 30 -12.541 -5.610 3.686 207 HH11 ARG 30 1HH1 ARG 30 -11.576 -3.548 6.352 208 HH12 ARG 30 2HH1 ARG 30 -12.905 -2.458 6.158 209 HH21 ARG 30 1HH2 ARG 30 -14.285 -4.179 3.421 210 HH22 ARG 30 2HH2 ARG 30 -14.457 -2.818 4.480 211 H ALA 31 H ALA 31 -9.047 -4.725 -0.002 212 HA ALA 31 HA ALA 31 -7.946 -3.128 -1.155 213 HB1 ALA 31 1HB ALA 31 -10.151 -2.077 -1.330 214 HB2 ALA 31 2HB ALA 31 -8.860 -0.878 -1.246 215 HB3 ALA 31 3HB ALA 31 -9.853 -1.207 0.175 216 H THR 32 H THR 32 -7.071 -3.964 1.449 217 HA THR 32 HA THR 32 -5.921 -1.699 2.795 218 HB THR 32 HB THR 32 -5.295 -4.645 3.125 219 HG1 THR 32 1HG THR 32 -6.774 -3.983 5.096 220 HG21 THR 32 3HG2 THR 32 -4.525 -3.999 5.358 221 HG22 THR 32 1HG2 THR 32 -4.884 -2.309 4.998 222 HG23 THR 32 2HG2 THR 32 -3.616 -3.150 4.107 223 H CYS 33 H CYS 33 -3.861 -0.905 2.546 224 HA CYS 33 HA CYS 33 -2.460 -1.519 0.178 225 HB2 CYS 33 2HB CYS 33 -1.619 0.026 2.616 226 HB3 CYS 33 1HB CYS 33 -0.590 -0.163 1.214 227 H THR 34 H THR 34 -1.161 -3.027 -0.264 228 HA THR 34 HA THR 34 0.231 -4.494 1.878 229 HB THR 34 HB THR 34 -0.481 -5.661 -0.805 230 HG1 THR 34 1HG THR 34 -2.292 -4.918 0.789 231 HG21 THR 34 3HG2 THR 34 0.183 -6.917 1.861 232 HG22 THR 34 1HG2 THR 34 1.261 -6.811 0.470 233 HG23 THR 34 2HG2 THR 34 -0.200 -7.793 0.380 234 H CYS 35 H CYS 35 2.370 -4.363 1.763 235 HA CYS 35 HA CYS 35 3.574 -2.944 -0.424 236 HB2 CYS 35 2HB CYS 35 4.964 -4.183 1.942 237 HB3 CYS 35 1HB CYS 35 5.544 -2.875 0.915 238 H GLY 36 H GLY 36 5.687 -3.748 -1.331 239 HA2 GLY 36 2HA GLY 36 5.329 -5.955 -2.929 240 HA3 GLY 36 1HA GLY 36 6.900 -5.288 -2.526 241 H LYS 37 H LYS 37 6.830 -5.888 0.258 242 HA LYS 37 HA LYS 37 6.832 -8.826 0.210 243 HB2 LYS 37 2HB LYS 37 8.960 -6.930 1.139 244 HB3 LYS 37 1HB LYS 37 8.803 -8.505 1.906 245 HG2 LYS 37 2HG LYS 37 9.128 -8.113 -1.059 246 HG3 LYS 37 1HG LYS 37 10.466 -8.405 0.054 247 HD2 LYS 37 2HD LYS 37 10.011 -10.595 0.196 248 HD3 LYS 37 1HD LYS 37 8.277 -10.312 0.358 249 HE2 LYS 37 2HE LYS 37 9.558 -9.903 -2.300 250 HE3 LYS 37 1HE LYS 37 9.274 -11.551 -1.742 251 HZ1 LYS 37 3HZ LYS 37 7.189 -9.437 -1.960 252 HZ2 LYS 37 1HZ LYS 37 6.938 -11.044 -1.490 253 HZ3 LYS 37 2HZ LYS 37 7.427 -10.693 -3.070 254 H GLN 38 H GLN 38 4.677 -7.371 1.041 255 HA GLN 38 HA GLN 38 3.180 -7.157 2.721 256 HB2 GLN 38 2HB GLN 38 4.121 -9.586 3.094 257 HB3 GLN 38 1HB GLN 38 4.861 -8.871 4.519 258 HG2 GLN 38 2HG GLN 38 2.807 -9.857 5.184 259 HG3 GLN 38 1HG GLN 38 2.598 -8.108 5.225 260 HE21 GLN 38 1HE2 GLN 38 0.396 -8.169 5.007 261 HE22 GLN 38 2HE2 GLN 38 -0.394 -8.645 3.547 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -8.655 2.577 -3.550 2 H2 GLY 1 2HT GLY 1 -10.263 2.369 -3.066 3 H3 GLY 1 3HT GLY 1 -9.483 1.151 -3.946 4 HA2 GLY 1 1HA GLY 1 -9.628 0.541 -1.620 5 HA3 GLY 1 2HA GLY 1 -7.954 0.767 -2.118 6 H PHE 2 H PHE 2 -7.655 1.033 0.253 7 HA PHE 2 HA PHE 2 -8.712 3.228 1.664 8 HB2 PHE 2 2HB PHE 2 -7.663 1.362 2.821 9 HB3 PHE 2 1HB PHE 2 -6.121 1.705 2.045 10 HD1 PHE 2 2HD PHE 2 -8.647 3.242 4.306 11 HD2 PHE 2 1HD PHE 2 -4.562 3.023 3.128 12 HE1 PHE 2 2HE PHE 2 -8.027 4.693 6.195 13 HE2 PHE 2 1HE PHE 2 -3.936 4.472 5.015 14 HZ PHE 2 HZ PHE 2 -5.669 5.311 6.550 15 H GLY 3 H GLY 3 -5.811 2.848 -0.300 16 HA2 GLY 3 2HA GLY 3 -5.287 5.728 -0.003 17 HA3 GLY 3 1HA GLY 3 -4.091 4.530 -0.480 18 H CYS 4 H CYS 4 -4.633 3.350 -2.554 19 HA CYS 4 HA CYS 4 -4.755 5.178 -4.657 20 HB2 CYS 4 2HB CYS 4 -5.479 2.632 -5.657 21 HB3 CYS 4 1HB CYS 4 -3.877 3.369 -5.647 22 HA PRO 5 HA PRO 5 -5.159 5.706 -6.362 23 HB2 PRO 5 2HB PRO 5 -6.582 7.203 -8.133 24 HB3 PRO 5 1HB PRO 5 -6.274 5.479 -8.341 25 HG2 PRO 5 2HG PRO 5 -8.783 6.819 -7.813 26 HG3 PRO 5 1HG PRO 5 -8.499 5.109 -8.169 27 HD2 PRO 5 2HD PRO 5 -8.901 6.438 -5.574 28 HD3 PRO 5 1HD PRO 5 -9.067 4.722 -6.001 29 H PHE 6 H PHE 6 -7.221 7.140 -4.268 30 HA PHE 6 HA PHE 6 -6.890 9.903 -4.825 31 HB2 PHE 6 2HB PHE 6 -7.561 8.609 -2.177 32 HB3 PHE 6 1HB PHE 6 -7.858 10.283 -2.635 33 HD1 PHE 6 2HD PHE 6 -9.371 10.635 -4.722 34 HD2 PHE 6 1HD PHE 6 -9.234 7.047 -2.438 35 HE1 PHE 6 2HE PHE 6 -11.587 10.006 -5.585 36 HE2 PHE 6 1HE PHE 6 -11.450 6.411 -3.296 37 HZ PHE 6 HZ PHE 6 -12.630 7.891 -4.872 38 H ASN 7 H ASN 7 -5.447 7.867 -2.275 39 HA ASN 7 HA ASN 7 -3.117 9.659 -2.316 40 HB2 ASN 7 2HB ASN 7 -2.952 9.436 0.168 41 HB3 ASN 7 1HB ASN 7 -4.365 10.334 -0.367 42 HD21 ASN 7 1HD2 ASN 7 -3.842 8.929 2.150 43 HD22 ASN 7 2HD2 ASN 7 -5.132 7.775 2.305 44 H GLU 8 H GLU 8 -3.201 7.364 -3.742 45 HA GLU 8 HA GLU 8 -2.333 5.037 -2.455 46 HB2 GLU 8 2HB GLU 8 -1.206 4.613 -4.767 47 HB3 GLU 8 1HB GLU 8 -2.958 4.672 -4.647 48 HG2 GLU 8 2HG GLU 8 -2.833 7.073 -5.341 49 HG3 GLU 8 1HG GLU 8 -1.118 6.816 -5.665 50 H ASN 9 H ASN 9 -0.517 7.781 -3.734 51 HA ASN 9 HA ASN 9 2.051 6.705 -3.276 52 HB2 ASN 9 2HB ASN 9 0.954 9.405 -3.861 53 HB3 ASN 9 1HB ASN 9 2.569 9.331 -3.161 54 HD21 ASN 9 1HD2 ASN 9 1.574 10.071 -5.880 55 HD22 ASN 9 2HD2 ASN 9 2.483 9.082 -6.964 56 H GLU 10 H GLU 10 -0.247 8.237 -1.172 57 HA GLU 10 HA GLU 10 1.638 8.811 0.921 58 HB2 GLU 10 2HB GLU 10 -0.516 10.040 0.654 59 HB3 GLU 10 1HB GLU 10 -1.377 8.563 1.061 60 HG2 GLU 10 2HG GLU 10 -0.310 8.568 3.270 61 HG3 GLU 10 1HG GLU 10 0.507 10.075 2.857 62 H CYS 11 H CYS 11 -0.768 6.283 0.281 63 HA CYS 11 HA CYS 11 -0.158 4.774 2.602 64 HB2 CYS 11 2HB CYS 11 -2.136 4.599 0.804 65 HB3 CYS 11 1HB CYS 11 -1.068 3.376 0.124 66 H HIS 12 H HIS 12 1.186 5.029 -0.589 67 HA HIS 12 HA HIS 12 2.941 2.801 -0.480 68 HB2 HIS 12 2HB HIS 12 2.254 4.084 -2.563 69 HB3 HIS 12 1HB HIS 12 3.337 5.368 -2.044 70 HD1 HIS 12 1HD HIS 12 3.505 3.438 -4.661 71 HD2 HIS 12 2HD HIS 12 5.888 3.347 -1.259 72 HE1 HIS 12 1HE HIS 12 5.661 2.346 -5.370 73 HE2 HIS 12 2HE HIS 12 7.037 2.186 -3.263 74 H ALA 13 H ALA 13 3.276 6.258 0.258 75 HA ALA 13 HA ALA 13 5.971 6.245 1.030 76 HB1 ALA 13 1HB ALA 13 4.724 8.315 0.635 77 HB2 ALA 13 2HB ALA 13 5.459 8.316 2.239 78 HB3 ALA 13 3HB ALA 13 3.733 7.996 2.059 79 H HIS 14 H HIS 14 2.982 5.628 2.788 80 HA HIS 14 HA HIS 14 4.011 5.274 5.356 81 HB2 HIS 14 2HB HIS 14 1.602 5.243 4.894 82 HB3 HIS 14 1HB HIS 14 1.772 3.732 4.020 83 HD1 HIS 14 1HD HIS 14 2.955 4.786 7.493 84 HD2 HIS 14 2HD HIS 14 0.797 1.777 5.602 85 HE1 HIS 14 1HE HIS 14 2.379 3.132 9.298 86 HE2 HIS 14 2HE HIS 14 1.186 1.261 8.105 87 H CYS 15 H CYS 15 3.488 2.850 2.817 88 HA CYS 15 HA CYS 15 4.645 0.659 4.074 89 HB2 CYS 15 2HB CYS 15 4.455 1.428 1.171 90 HB3 CYS 15 1HB CYS 15 5.279 -0.049 1.656 91 H LEU 16 H LEU 16 6.137 3.219 2.227 92 HA LEU 16 HA LEU 16 8.760 2.257 2.130 93 HB2 LEU 16 2HB LEU 16 7.527 4.979 2.040 94 HB3 LEU 16 1HB LEU 16 9.267 4.817 2.104 95 HG LEU 16 HG LEU 16 7.546 3.534 -0.018 96 HD11 LEU 16 1HD1 LEU 16 7.345 5.959 -0.144 97 HD12 LEU 16 2HD1 LEU 16 8.283 5.327 -1.497 98 HD13 LEU 16 3HD1 LEU 16 9.103 6.112 -0.146 99 HD21 LEU 16 3HD2 LEU 16 9.719 2.468 0.348 100 HD22 LEU 16 1HD2 LEU 16 10.518 4.024 0.121 101 HD23 LEU 16 2HD2 LEU 16 9.647 3.277 -1.219 102 H SER 17 H SER 17 7.003 3.937 4.645 103 HA SER 17 HA SER 17 9.232 4.616 6.262 104 HB2 SER 17 2HB SER 17 6.499 4.104 7.397 105 HB3 SER 17 1HB SER 17 7.682 5.324 7.862 106 HG SER 17 HG SER 17 7.075 5.763 5.329 107 H ILE 18 H ILE 18 7.564 1.634 5.740 108 HA ILE 18 HA ILE 18 8.785 0.523 8.171 109 HB ILE 18 HB ILE 18 7.240 -1.520 7.321 110 HG12 ILE 18 2HG1 ILE 18 5.664 0.974 6.648 111 HG13 ILE 18 1HG1 ILE 18 6.316 -0.147 5.458 112 HG21 ILE 18 1HG2 ILE 18 6.309 0.781 9.036 113 HG22 ILE 18 2HG2 ILE 18 7.330 -0.555 9.571 114 HG23 ILE 18 3HG2 ILE 18 5.670 -0.863 9.060 115 HD11 ILE 18 3HD1 ILE 18 3.949 -0.530 5.846 116 HD12 ILE 18 1HD1 ILE 18 4.264 -0.806 7.559 117 HD13 ILE 18 2HD1 ILE 18 4.906 -1.921 6.353 118 H GLY 19 H GLY 19 10.031 1.102 5.500 119 HA2 GLY 19 2HA GLY 19 11.860 0.133 4.463 120 HA3 GLY 19 1HA GLY 19 11.571 -1.330 5.386 121 H ARG 20 H ARG 20 8.787 -0.286 3.758 122 HA ARG 20 HA ARG 20 9.168 -2.438 1.808 123 HB2 ARG 20 2HB ARG 20 6.602 -0.932 2.075 124 HB3 ARG 20 1HB ARG 20 6.867 -2.616 1.652 125 HG2 ARG 20 2HG ARG 20 7.212 -1.442 4.404 126 HG3 ARG 20 1HG ARG 20 5.805 -2.345 3.845 127 HD2 ARG 20 2HD ARG 20 7.835 -4.051 3.232 128 HD3 ARG 20 1HD ARG 20 8.445 -3.291 4.701 129 HE ARG 20 HE ARG 20 5.935 -4.829 4.458 130 HH11 ARG 20 1HH1 ARG 20 8.363 -3.274 6.470 131 HH12 ARG 20 2HH1 ARG 20 7.874 -4.117 7.904 132 HH21 ARG 20 1HH2 ARG 20 5.293 -5.926 6.322 133 HH22 ARG 20 2HH2 ARG 20 6.118 -5.624 7.825 134 H LYS 21 H LYS 21 9.908 -1.912 -0.112 135 HA LYS 21 HA LYS 21 10.162 0.753 -1.008 136 HB2 LYS 21 2HB LYS 21 11.636 -1.246 -1.590 137 HB3 LYS 21 1HB LYS 21 10.403 -1.669 -2.770 138 HG2 LYS 21 2HG LYS 21 12.219 -0.448 -3.815 139 HG3 LYS 21 1HG LYS 21 10.723 0.487 -3.880 140 HD2 LYS 21 2HD LYS 21 11.480 1.755 -1.892 141 HD3 LYS 21 1HD LYS 21 13.005 0.869 -1.940 142 HE2 LYS 21 2HE LYS 21 13.487 1.772 -4.142 143 HE3 LYS 21 1HE LYS 21 11.932 2.602 -4.163 144 HZ1 LYS 21 3HZ LYS 21 14.162 3.125 -2.271 145 HZ2 LYS 21 1HZ LYS 21 12.660 3.903 -2.246 146 HZ3 LYS 21 2HZ LYS 21 13.700 4.115 -3.563 147 H PHE 22 H PHE 22 7.812 -1.711 -1.646 148 HA PHE 22 HA PHE 22 6.372 0.192 -3.369 149 HB2 PHE 22 2HB PHE 22 6.173 -2.818 -3.563 150 HB3 PHE 22 1HB PHE 22 5.467 -1.632 -4.653 151 HD1 PHE 22 1HD PHE 22 7.087 -0.119 -5.945 152 HD2 PHE 22 2HD PHE 22 8.260 -3.725 -4.014 153 HE1 PHE 22 1HE PHE 22 9.093 -0.222 -7.364 154 HE2 PHE 22 2HE PHE 22 10.269 -3.834 -5.430 155 HZ PHE 22 HZ PHE 22 10.687 -2.081 -7.108 156 H GLY 23 H GLY 23 3.945 -0.507 -3.476 157 HA2 GLY 23 2HA GLY 23 2.598 -1.858 -1.534 158 HA3 GLY 23 1HA GLY 23 2.969 -0.311 -0.783 159 H PHE 24 H PHE 24 0.585 -1.890 -2.167 160 HA PHE 24 HA PHE 24 -0.804 0.531 -2.930 161 HB2 PHE 24 2HB PHE 24 -1.554 -0.383 -5.112 162 HB3 PHE 24 1HB PHE 24 0.177 -0.072 -5.072 163 HD1 PHE 24 1HD PHE 24 1.771 -1.945 -4.978 164 HD2 PHE 24 2HD PHE 24 -2.417 -2.593 -5.378 165 HE1 PHE 24 1HE PHE 24 2.202 -4.253 -5.712 166 HE2 PHE 24 2HE PHE 24 -1.993 -4.903 -6.109 167 HZ PHE 24 HZ PHE 24 0.319 -5.735 -6.277 168 H CYS 25 H CYS 25 -3.113 0.192 -3.088 169 HA CYS 25 HA CYS 25 -4.019 -1.698 -1.157 170 HB2 CYS 25 2HB CYS 25 -6.284 -0.801 -1.708 171 HB3 CYS 25 1HB CYS 25 -5.118 0.434 -1.256 172 H ALA 26 H ALA 26 -4.840 -3.655 -1.397 173 HA ALA 26 HA ALA 26 -5.804 -4.505 -4.020 174 HB1 ALA 26 1HB ALA 26 -3.560 -5.964 -2.630 175 HB2 ALA 26 2HB ALA 26 -3.396 -4.978 -4.083 176 HB3 ALA 26 3HB ALA 26 -4.359 -6.456 -4.124 177 H GLY 27 H GLY 27 -7.489 -5.842 -3.854 178 HA2 GLY 27 2HA GLY 27 -8.169 -7.971 -2.577 179 HA3 GLY 27 1HA GLY 27 -8.121 -6.898 -1.184 180 HA PRO 28 HA PRO 28 -12.030 -6.320 -4.136 181 HB2 PRO 28 2HB PRO 28 -13.483 -8.615 -3.630 182 HB3 PRO 28 1HB PRO 28 -12.526 -8.333 -5.086 183 HG2 PRO 28 2HG PRO 28 -11.829 -9.881 -2.627 184 HG3 PRO 28 1HG PRO 28 -11.485 -10.258 -4.325 185 HD2 PRO 28 2HD PRO 28 -9.599 -9.262 -2.691 186 HD3 PRO 28 1HD PRO 28 -9.673 -8.816 -4.408 187 H LEU 29 H LEU 29 -11.882 -8.189 -1.123 188 HA LEU 29 HA LEU 29 -13.944 -6.414 0.002 189 HB2 LEU 29 2HB LEU 29 -13.194 -9.234 0.793 190 HB3 LEU 29 1HB LEU 29 -14.359 -8.237 1.642 191 HG LEU 29 HG LEU 29 -14.632 -9.168 -1.219 192 HD11 LEU 29 1HD1 LEU 29 -14.829 -11.011 0.362 193 HD12 LEU 29 2HD1 LEU 29 -16.393 -10.623 -0.357 194 HD13 LEU 29 3HD1 LEU 29 -16.024 -10.101 1.287 195 HD21 LEU 29 3HD2 LEU 29 -16.561 -7.705 0.580 196 HD22 LEU 29 1HD2 LEU 29 -16.915 -8.312 -1.037 197 HD23 LEU 29 2HD2 LEU 29 -15.727 -7.027 -0.817 198 H ARG 30 H ARG 30 -11.023 -6.048 -0.240 199 HA ARG 30 HA ARG 30 -10.528 -5.224 2.485 200 HB2 ARG 30 2HB ARG 30 -9.669 -7.641 2.194 201 HB3 ARG 30 1HB ARG 30 -8.436 -6.937 1.157 202 HG2 ARG 30 2HG ARG 30 -8.139 -5.350 3.276 203 HG3 ARG 30 1HG ARG 30 -8.768 -6.785 4.089 204 HD2 ARG 30 2HD ARG 30 -6.336 -6.826 4.027 205 HD3 ARG 30 1HD ARG 30 -7.008 -8.137 3.057 206 HE ARG 30 HE ARG 30 -6.633 -6.436 1.135 207 HH11 ARG 30 1HH1 ARG 30 -4.551 -6.868 3.917 208 HH12 ARG 30 2HH1 ARG 30 -3.113 -6.401 3.071 209 HH21 ARG 30 1HH2 ARG 30 -4.767 -5.833 0.021 210 HH22 ARG 30 2HH2 ARG 30 -3.232 -5.809 0.834 211 H ALA 31 H ALA 31 -10.602 -3.168 1.590 212 HA ALA 31 HA ALA 31 -9.051 -2.385 -0.668 213 HB1 ALA 31 1HB ALA 31 -11.140 -1.278 -0.050 214 HB2 ALA 31 2HB ALA 31 -9.800 -0.135 -0.149 215 HB3 ALA 31 3HB ALA 31 -10.383 -0.676 1.425 216 H THR 32 H THR 32 -7.857 -3.338 2.135 217 HA THR 32 HA THR 32 -6.194 -1.239 3.017 218 HB THR 32 HB THR 32 -5.368 -4.095 3.320 219 HG1 THR 32 1HG THR 32 -7.376 -3.127 5.017 220 HG21 THR 32 3HG2 THR 32 -5.566 -1.771 5.242 221 HG22 THR 32 1HG2 THR 32 -4.096 -2.321 4.439 222 HG23 THR 32 2HG2 THR 32 -4.902 -3.362 5.613 223 H CYS 33 H CYS 33 -3.891 -1.058 2.807 224 HA CYS 33 HA CYS 33 -2.997 -1.564 0.109 225 HB2 CYS 33 2HB CYS 33 -1.556 -0.168 2.364 226 HB3 CYS 33 1HB CYS 33 -1.089 -0.164 0.668 227 H THR 34 H THR 34 -1.450 -2.888 -0.527 228 HA THR 34 HA THR 34 -0.233 -4.647 1.502 229 HB THR 34 HB THR 34 -0.114 -5.532 -1.299 230 HG1 THR 34 1HG THR 34 -2.151 -4.888 -1.604 231 HG21 THR 34 3HG2 THR 34 0.513 -6.955 0.594 232 HG22 THR 34 1HG2 THR 34 -0.843 -7.650 -0.294 233 HG23 THR 34 2HG2 THR 34 -1.123 -6.827 1.240 234 H CYS 35 H CYS 35 1.822 -4.088 1.866 235 HA CYS 35 HA CYS 35 3.294 -2.469 0.042 236 HB2 CYS 35 2HB CYS 35 4.320 -3.955 2.460 237 HB3 CYS 35 1HB CYS 35 5.090 -2.588 1.655 238 H GLY 36 H GLY 36 5.340 -3.018 -0.903 239 HA2 GLY 36 2HA GLY 36 5.256 -5.324 -2.493 240 HA3 GLY 36 1HA GLY 36 6.651 -4.279 -2.290 241 H LYS 37 H LYS 37 6.498 -4.901 0.670 242 HA LYS 37 HA LYS 37 7.607 -7.611 0.542 243 HB2 LYS 37 2HB LYS 37 8.842 -5.137 1.607 244 HB3 LYS 37 1HB LYS 37 9.079 -6.609 2.543 245 HG2 LYS 37 2HG LYS 37 9.673 -6.413 -0.399 246 HG3 LYS 37 1HG LYS 37 10.867 -6.095 0.861 247 HD2 LYS 37 2HD LYS 37 11.308 -8.280 0.892 248 HD3 LYS 37 1HD LYS 37 9.696 -8.535 1.560 249 HE2 LYS 37 2HE LYS 37 10.170 -8.324 -1.399 250 HE3 LYS 37 1HE LYS 37 10.354 -9.850 -0.540 251 HZ1 LYS 37 3HZ LYS 37 7.896 -8.238 -0.906 252 HZ2 LYS 37 1HZ LYS 37 8.003 -9.436 0.292 253 HZ3 LYS 37 2HZ LYS 37 8.174 -9.849 -1.341 254 H GLN 38 H GLN 38 5.003 -7.086 1.163 255 HA GLN 38 HA GLN 38 3.378 -7.560 2.657 256 HB2 GLN 38 2HB GLN 38 5.593 -8.929 4.201 257 HB3 GLN 38 1HB GLN 38 3.867 -9.198 4.399 258 HG2 GLN 38 2HG GLN 38 4.092 -10.884 2.977 259 HG3 GLN 38 1HG GLN 38 4.284 -9.669 1.714 260 HE21 GLN 38 1HE2 GLN 38 5.945 -11.832 3.880 261 HE22 GLN 38 2HE2 GLN 38 7.451 -11.850 3.034 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -10.628 1.939 -1.194 2 H2 GLY 1 2HT GLY 1 -9.794 0.871 -2.206 3 H3 GLY 1 3HT GLY 1 -9.083 2.344 -1.756 4 HA2 GLY 1 1HA GLY 1 -9.714 0.076 0.053 5 HA3 GLY 1 2HA GLY 1 -8.109 0.540 -0.502 6 H PHE 2 H PHE 2 -7.447 0.830 1.679 7 HA PHE 2 HA PHE 2 -8.691 2.505 3.541 8 HB2 PHE 2 2HB PHE 2 -6.899 0.983 4.180 9 HB3 PHE 2 1HB PHE 2 -5.754 1.859 3.170 10 HD1 PHE 2 2HD PHE 2 -8.021 2.339 6.085 11 HD2 PHE 2 1HD PHE 2 -4.442 3.513 4.104 12 HE1 PHE 2 2HE PHE 2 -7.433 3.766 8.001 13 HE2 PHE 2 1HE PHE 2 -3.847 4.940 6.017 14 HZ PHE 2 HZ PHE 2 -5.343 5.069 7.968 15 H GLY 3 H GLY 3 -5.911 3.241 1.445 16 HA2 GLY 3 2HA GLY 3 -6.659 6.087 1.618 17 HA3 GLY 3 1HA GLY 3 -5.030 5.494 1.305 18 H CYS 4 H CYS 4 -5.208 3.757 -0.621 19 HA CYS 4 HA CYS 4 -5.384 5.133 -2.986 20 HB2 CYS 4 2HB CYS 4 -6.037 2.266 -3.141 21 HB3 CYS 4 1HB CYS 4 -4.709 3.163 -3.877 22 HA PRO 5 HA PRO 5 -5.740 5.234 -4.886 23 HB2 PRO 5 2HB PRO 5 -6.990 6.576 -6.826 24 HB3 PRO 5 1HB PRO 5 -7.006 4.811 -6.771 25 HG2 PRO 5 2HG PRO 5 -9.148 6.751 -6.068 26 HG3 PRO 5 1HG PRO 5 -9.283 5.134 -6.777 27 HD2 PRO 5 2HD PRO 5 -9.646 5.818 -4.066 28 HD3 PRO 5 1HD PRO 5 -9.496 4.182 -4.733 29 H PHE 6 H PHE 6 -8.027 7.100 -3.189 30 HA PHE 6 HA PHE 6 -7.279 9.721 -3.881 31 HB2 PHE 6 2HB PHE 6 -8.316 8.703 -1.225 32 HB3 PHE 6 1HB PHE 6 -8.296 10.386 -1.741 33 HD1 PHE 6 1HD PHE 6 -9.668 11.032 -3.771 34 HD2 PHE 6 2HD PHE 6 -10.104 7.306 -1.761 35 HE1 PHE 6 1HE PHE 6 -11.893 10.750 -4.784 36 HE2 PHE 6 2HE PHE 6 -12.328 7.017 -2.770 37 HZ PHE 6 HZ PHE 6 -13.225 8.740 -4.284 38 H ASN 7 H ASN 7 -6.375 7.905 -0.961 39 HA ASN 7 HA ASN 7 -4.019 9.611 -0.659 40 HB2 ASN 7 2HB ASN 7 -5.719 8.056 1.144 41 HB3 ASN 7 1HB ASN 7 -4.004 7.801 1.442 42 HD21 ASN 7 1HD2 ASN 7 -4.110 8.823 3.429 43 HD22 ASN 7 2HD2 ASN 7 -4.275 10.546 3.560 44 H GLU 8 H GLU 8 -3.906 7.987 -2.850 45 HA GLU 8 HA GLU 8 -2.743 5.460 -2.486 46 HB2 GLU 8 2HB GLU 8 -3.644 6.481 -4.638 47 HB3 GLU 8 1HB GLU 8 -2.129 7.365 -4.751 48 HG2 GLU 8 2HG GLU 8 -1.814 5.523 -6.123 49 HG3 GLU 8 1HG GLU 8 -0.998 5.075 -4.625 50 H ASN 9 H ASN 9 -1.304 8.657 -2.850 51 HA ASN 9 HA ASN 9 1.387 7.848 -2.767 52 HB2 ASN 9 2HB ASN 9 0.003 10.455 -2.160 53 HB3 ASN 9 1HB ASN 9 1.743 10.274 -1.960 54 HD21 ASN 9 1HD2 ASN 9 -0.746 10.965 -4.109 55 HD22 ASN 9 2HD2 ASN 9 0.169 10.920 -5.573 56 H GLU 10 H GLU 10 -0.952 8.539 -0.257 57 HA GLU 10 HA GLU 10 0.919 8.612 1.891 58 HB2 GLU 10 2HB GLU 10 -1.228 9.694 2.136 59 HB3 GLU 10 1HB GLU 10 -2.072 8.180 1.849 60 HG2 GLU 10 2HG GLU 10 -0.196 8.090 4.090 61 HG3 GLU 10 1HG GLU 10 -1.515 9.241 4.293 62 H CYS 11 H CYS 11 -1.373 6.127 0.737 63 HA CYS 11 HA CYS 11 -0.649 4.124 2.552 64 HB2 CYS 11 2HB CYS 11 -2.620 3.832 1.242 65 HB3 CYS 11 1HB CYS 11 -1.733 4.005 -0.263 66 H HIS 12 H HIS 12 0.622 4.932 -0.631 67 HA HIS 12 HA HIS 12 2.514 2.861 -0.821 68 HB2 HIS 12 2HB HIS 12 1.684 4.513 -2.632 69 HB3 HIS 12 1HB HIS 12 2.930 5.594 -2.017 70 HD1 HIS 12 1HD HIS 12 2.398 2.853 -4.339 71 HD2 HIS 12 2HD HIS 12 5.610 4.413 -2.219 72 HE1 HIS 12 1HE HIS 12 4.462 1.954 -5.472 73 HE2 HIS 12 2HE HIS 12 6.388 2.815 -4.095 74 H ALA 13 H ALA 13 2.827 6.216 0.340 75 HA ALA 13 HA ALA 13 5.562 6.096 0.991 76 HB1 ALA 13 1HB ALA 13 5.148 8.070 2.368 77 HB2 ALA 13 2HB ALA 13 3.409 7.796 2.250 78 HB3 ALA 13 3HB ALA 13 4.337 8.207 0.808 79 H HIS 14 H HIS 14 2.645 5.365 2.840 80 HA HIS 14 HA HIS 14 3.766 4.909 5.342 81 HB2 HIS 14 2HB HIS 14 1.342 4.908 4.948 82 HB3 HIS 14 1HB HIS 14 1.480 3.421 4.026 83 HD1 HIS 14 1HD HIS 14 2.773 4.372 7.490 84 HD2 HIS 14 2HD HIS 14 0.538 1.433 5.582 85 HE1 HIS 14 1HE HIS 14 2.277 2.649 9.254 86 HE2 HIS 14 2HE HIS 14 0.970 0.855 8.064 87 H CYS 15 H CYS 15 3.132 2.573 2.753 88 HA CYS 15 HA CYS 15 4.333 0.353 3.923 89 HB2 CYS 15 2HB CYS 15 3.730 1.163 1.129 90 HB3 CYS 15 1HB CYS 15 4.832 -0.189 1.357 91 H LEU 16 H LEU 16 5.735 2.927 2.023 92 HA LEU 16 HA LEU 16 8.342 1.882 1.790 93 HB2 LEU 16 2HB LEU 16 7.019 4.479 1.399 94 HB3 LEU 16 1HB LEU 16 8.720 4.585 1.805 95 HG LEU 16 HG LEU 16 9.324 3.269 -0.133 96 HD11 LEU 16 1HD1 LEU 16 6.365 3.054 -0.663 97 HD12 LEU 16 2HD1 LEU 16 7.421 1.743 -0.141 98 HD13 LEU 16 3HD1 LEU 16 7.652 2.483 -1.724 99 HD21 LEU 16 3HD2 LEU 16 7.323 5.415 -0.827 100 HD22 LEU 16 1HD2 LEU 16 8.538 4.753 -1.921 101 HD23 LEU 16 2HD2 LEU 16 9.038 5.654 -0.488 102 H SER 17 H SER 17 6.697 3.531 4.368 103 HA SER 17 HA SER 17 9.059 4.250 5.821 104 HB2 SER 17 2HB SER 17 6.278 3.997 6.966 105 HB3 SER 17 1HB SER 17 7.595 5.025 7.529 106 HG SER 17 HG SER 17 6.823 5.435 4.905 107 H ILE 18 H ILE 18 7.386 1.298 5.396 108 HA ILE 18 HA ILE 18 8.391 0.307 7.974 109 HB ILE 18 HB ILE 18 6.991 -1.788 6.739 110 HG12 ILE 18 2HG1 ILE 18 5.415 0.793 6.613 111 HG13 ILE 18 1HG1 ILE 18 5.969 -0.129 5.220 112 HG21 ILE 18 1HG2 ILE 18 7.176 -1.224 9.148 113 HG22 ILE 18 2HG2 ILE 18 5.527 -1.585 8.636 114 HG23 ILE 18 3HG2 ILE 18 6.024 0.088 8.893 115 HD11 ILE 18 3HD1 ILE 18 4.554 -1.990 5.868 116 HD12 ILE 18 1HD1 ILE 18 3.608 -0.512 5.695 117 HD13 ILE 18 2HD1 ILE 18 4.028 -1.108 7.301 118 H GLY 19 H GLY 19 9.919 0.816 5.408 119 HA2 GLY 19 2HA GLY 19 11.909 -0.145 4.685 120 HA3 GLY 19 1HA GLY 19 11.513 -1.589 5.601 121 H ARG 20 H ARG 20 9.057 -0.461 3.496 122 HA ARG 20 HA ARG 20 9.709 -2.653 1.650 123 HB2 ARG 20 2HB ARG 20 7.106 -1.375 2.444 124 HB3 ARG 20 1HB ARG 20 7.241 -2.296 0.952 125 HG2 ARG 20 2HG ARG 20 6.537 -3.947 2.340 126 HG3 ARG 20 1HG ARG 20 8.278 -4.103 2.580 127 HD2 ARG 20 2HD ARG 20 8.205 -3.083 4.667 128 HD3 ARG 20 1HD ARG 20 6.657 -2.302 4.341 129 HE ARG 20 HE ARG 20 5.788 -4.743 4.361 130 HH11 ARG 20 1HH1 ARG 20 8.321 -3.445 6.431 131 HH12 ARG 20 2HH1 ARG 20 8.025 -4.589 7.700 132 HH21 ARG 20 1HH2 ARG 20 5.399 -6.232 6.022 133 HH22 ARG 20 2HH2 ARG 20 6.363 -6.172 7.472 134 H LYS 21 H LYS 21 9.828 -2.287 -0.545 135 HA LYS 21 HA LYS 21 10.465 0.420 -1.287 136 HB2 LYS 21 2HB LYS 21 11.802 -1.561 -2.026 137 HB3 LYS 21 1HB LYS 21 10.447 -2.029 -3.045 138 HG2 LYS 21 2HG LYS 21 10.672 -0.030 -4.356 139 HG3 LYS 21 1HG LYS 21 11.915 0.588 -3.269 140 HD2 LYS 21 2HD LYS 21 13.412 -1.201 -3.900 141 HD3 LYS 21 1HD LYS 21 12.156 -1.941 -4.895 142 HE2 LYS 21 2HE LYS 21 13.774 -0.685 -6.246 143 HE3 LYS 21 1HE LYS 21 12.149 -0.013 -6.368 144 HZ1 LYS 21 3HZ LYS 21 13.841 1.709 -6.115 145 HZ2 LYS 21 1HZ LYS 21 14.314 1.049 -4.630 146 HZ3 LYS 21 2HZ LYS 21 12.767 1.710 -4.809 147 H PHE 22 H PHE 22 7.780 -1.661 -1.604 148 HA PHE 22 HA PHE 22 6.368 0.411 -3.109 149 HB2 PHE 22 2HB PHE 22 6.068 -2.521 -3.778 150 HB3 PHE 22 1HB PHE 22 5.299 -1.167 -4.586 151 HD1 PHE 22 1HD PHE 22 6.775 0.474 -5.839 152 HD2 PHE 22 2HD PHE 22 8.124 -3.341 -4.519 153 HE1 PHE 22 1HE PHE 22 8.619 0.566 -7.467 154 HE2 PHE 22 2HE PHE 22 9.971 -3.254 -6.141 155 HZ PHE 22 HZ PHE 22 10.220 -1.298 -7.617 156 H GLY 23 H GLY 23 3.951 -0.125 -3.104 157 HA2 GLY 23 2HA GLY 23 2.668 -1.826 -1.425 158 HA3 GLY 23 1HA GLY 23 3.192 -0.526 -0.365 159 H PHE 24 H PHE 24 0.552 -1.533 -1.403 160 HA PHE 24 HA PHE 24 -0.801 0.930 -1.448 161 HB2 PHE 24 2HB PHE 24 -1.754 0.842 -3.729 162 HB3 PHE 24 1HB PHE 24 -0.018 1.127 -3.751 163 HD1 PHE 24 1HD PHE 24 1.517 -0.595 -4.546 164 HD2 PHE 24 2HD PHE 24 -2.696 -1.190 -4.608 165 HE1 PHE 24 1HE PHE 24 1.811 -2.490 -6.088 166 HE2 PHE 24 2HE PHE 24 -2.409 -3.086 -6.147 167 HZ PHE 24 HZ PHE 24 -0.154 -3.740 -6.888 168 H CYS 25 H CYS 25 -3.182 0.546 -1.863 169 HA CYS 25 HA CYS 25 -4.065 -1.625 -0.324 170 HB2 CYS 25 2HB CYS 25 -5.778 -0.156 -2.330 171 HB3 CYS 25 1HB CYS 25 -6.277 -0.895 -0.813 172 H ALA 26 H ALA 26 -4.235 -3.703 -0.834 173 HA ALA 26 HA ALA 26 -4.965 -4.443 -3.569 174 HB1 ALA 26 1HB ALA 26 -2.617 -5.647 -2.107 175 HB2 ALA 26 2HB ALA 26 -2.516 -4.533 -3.469 176 HB3 ALA 26 3HB ALA 26 -3.221 -6.133 -3.690 177 H GLY 27 H GLY 27 -4.584 -7.231 -3.153 178 HA2 GLY 27 2HA GLY 27 -5.426 -9.046 -1.934 179 HA3 GLY 27 1HA GLY 27 -6.176 -7.915 -0.815 180 HA PRO 28 HA PRO 28 -9.312 -9.693 -3.899 181 HB2 PRO 28 2HB PRO 28 -10.639 -10.715 -1.480 182 HB3 PRO 28 1HB PRO 28 -10.234 -11.557 -2.977 183 HG2 PRO 28 2HG PRO 28 -8.925 -12.044 -0.680 184 HG3 PRO 28 1HG PRO 28 -8.110 -12.098 -2.255 185 HD2 PRO 28 2HD PRO 28 -8.088 -9.935 -0.182 186 HD3 PRO 28 1HD PRO 28 -6.751 -10.562 -1.170 187 H LEU 29 H LEU 29 -9.331 -7.825 -1.000 188 HA LEU 29 HA LEU 29 -12.015 -6.799 -1.569 189 HB2 LEU 29 2HB LEU 29 -10.233 -6.647 0.845 190 HB3 LEU 29 1HB LEU 29 -11.599 -5.567 0.660 191 HG LEU 29 HG LEU 29 -12.426 -7.276 2.006 192 HD11 LEU 29 1HD1 LEU 29 -13.946 -6.829 0.183 193 HD12 LEU 29 2HD1 LEU 29 -14.019 -8.534 0.625 194 HD13 LEU 29 3HD1 LEU 29 -13.140 -8.035 -0.820 195 HD21 LEU 29 3HD2 LEU 29 -10.550 -8.811 1.797 196 HD22 LEU 29 1HD2 LEU 29 -11.091 -9.274 0.184 197 HD23 LEU 29 2HD2 LEU 29 -12.081 -9.662 1.592 198 H ARG 30 H ARG 30 -8.739 -6.053 -1.989 199 HA ARG 30 HA ARG 30 -7.580 -4.231 -2.704 200 HB2 ARG 30 2HB ARG 30 -9.473 -4.514 -4.450 201 HB3 ARG 30 1HB ARG 30 -10.174 -3.086 -3.700 202 HG2 ARG 30 2HG ARG 30 -8.954 -2.308 -5.541 203 HG3 ARG 30 1HG ARG 30 -7.965 -1.936 -4.130 204 HD2 ARG 30 2HD ARG 30 -6.933 -4.306 -4.682 205 HD3 ARG 30 1HD ARG 30 -7.525 -3.925 -6.300 206 HE ARG 30 HE ARG 30 -5.476 -2.451 -4.790 207 HH11 ARG 30 1HH1 ARG 30 -7.214 -2.996 -7.785 208 HH12 ARG 30 2HH1 ARG 30 -6.171 -1.980 -8.723 209 HH21 ARG 30 1HH2 ARG 30 -4.107 -1.111 -6.007 210 HH22 ARG 30 2HH2 ARG 30 -4.391 -0.895 -7.705 211 H ALA 31 H ALA 31 -8.695 -4.160 -0.021 212 HA ALA 31 HA ALA 31 -9.169 -1.283 0.338 213 HB1 ALA 31 1HB ALA 31 -10.949 -2.745 1.173 214 HB2 ALA 31 2HB ALA 31 -10.181 -1.834 2.473 215 HB3 ALA 31 3HB ALA 31 -9.788 -3.537 2.240 216 H THR 32 H THR 32 -7.728 -3.911 2.264 217 HA THR 32 HA THR 32 -6.069 -2.254 3.793 218 HB THR 32 HB THR 32 -5.142 -5.016 3.306 219 HG1 THR 32 1HG THR 32 -7.091 -5.671 4.648 220 HG21 THR 32 3HG2 THR 32 -5.959 -3.498 5.789 221 HG22 THR 32 1HG2 THR 32 -4.315 -3.662 5.174 222 HG23 THR 32 2HG2 THR 32 -5.183 -5.081 5.759 223 H CYS 33 H CYS 33 -3.969 -1.593 3.581 224 HA CYS 33 HA CYS 33 -2.854 -1.563 0.951 225 HB2 CYS 33 2HB CYS 33 -1.813 -0.582 3.594 226 HB3 CYS 33 1HB CYS 33 -0.884 -0.471 2.117 227 H THR 34 H THR 34 -1.487 -2.868 0.093 228 HA THR 34 HA THR 34 -0.109 -4.854 1.784 229 HB THR 34 HB THR 34 -0.633 -5.268 -1.143 230 HG1 THR 34 1HG THR 34 -2.475 -5.281 0.935 231 HG21 THR 34 3HG2 THR 34 -0.566 -7.634 -0.491 232 HG22 THR 34 1HG2 THR 34 -0.340 -7.162 1.193 233 HG23 THR 34 2HG2 THR 34 0.905 -6.793 -0.001 234 H CYS 35 H CYS 35 2.027 -4.619 1.829 235 HA CYS 35 HA CYS 35 3.266 -2.760 -0.011 236 HB2 CYS 35 2HB CYS 35 4.585 -4.218 2.265 237 HB3 CYS 35 1HB CYS 35 5.128 -2.741 1.470 238 H GLY 36 H GLY 36 5.524 -3.330 -0.789 239 HA2 GLY 36 2HA GLY 36 5.411 -5.352 -2.676 240 HA3 GLY 36 1HA GLY 36 6.894 -4.604 -2.114 241 H LYS 37 H LYS 37 6.699 -5.521 0.592 242 HA LYS 37 HA LYS 37 7.029 -8.418 0.213 243 HB2 LYS 37 2HB LYS 37 8.815 -6.481 1.675 244 HB3 LYS 37 1HB LYS 37 8.829 -8.202 2.036 245 HG2 LYS 37 2HG LYS 37 9.356 -8.630 -0.361 246 HG3 LYS 37 1HG LYS 37 9.512 -6.886 -0.582 247 HD2 LYS 37 2HD LYS 37 11.318 -6.801 1.017 248 HD3 LYS 37 1HD LYS 37 11.108 -8.511 1.395 249 HE2 LYS 37 2HE LYS 37 11.707 -9.085 -0.913 250 HE3 LYS 37 1HE LYS 37 11.936 -7.375 -1.274 251 HZ1 LYS 37 3HZ LYS 37 14.038 -8.461 -0.811 252 HZ2 LYS 37 1HZ LYS 37 13.487 -8.947 0.714 253 HZ3 LYS 37 2HZ LYS 37 13.705 -7.304 0.377 254 H GLN 38 H GLN 38 4.660 -7.380 0.976 255 HA GLN 38 HA GLN 38 3.017 -7.494 2.529 256 HB2 GLN 38 2HB GLN 38 4.221 -9.830 2.730 257 HB3 GLN 38 1HB GLN 38 4.722 -9.208 4.296 258 HG2 GLN 38 2HG GLN 38 2.741 -10.518 4.576 259 HG3 GLN 38 1HG GLN 38 2.348 -8.823 4.860 260 HE21 GLN 38 1HE2 GLN 38 2.025 -11.509 2.669 261 HE22 GLN 38 2HE2 GLN 38 0.709 -10.864 1.757 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -10.441 2.062 -2.432 2 H2 GLY 1 2HT GLY 1 -9.088 3.081 -2.484 3 H3 GLY 1 3HT GLY 1 -10.398 3.464 -1.485 4 HA2 GLY 1 1HA GLY 1 -9.981 1.440 -0.184 5 HA3 GLY 1 2HA GLY 1 -8.549 1.173 -1.172 6 H PHE 2 H PHE 2 -7.203 1.331 0.662 7 HA PHE 2 HA PHE 2 -7.183 3.496 2.449 8 HB2 PHE 2 2HB PHE 2 -6.024 1.302 2.794 9 HB3 PHE 2 1HB PHE 2 -4.813 1.806 1.619 10 HD1 PHE 2 1HD PHE 2 -6.314 2.694 4.891 11 HD2 PHE 2 2HD PHE 2 -2.982 3.100 2.274 12 HE1 PHE 2 1HE PHE 2 -5.040 3.788 6.688 13 HE2 PHE 2 2HE PHE 2 -1.702 4.194 4.067 14 HZ PHE 2 HZ PHE 2 -2.731 4.540 6.278 15 H GLY 3 H GLY 3 -4.967 2.876 -0.288 16 HA2 GLY 3 2HA GLY 3 -4.277 5.726 -0.272 17 HA3 GLY 3 1HA GLY 3 -3.372 4.454 -1.081 18 H CYS 4 H CYS 4 -4.587 3.347 -2.893 19 HA CYS 4 HA CYS 4 -5.433 5.346 -4.748 20 HB2 CYS 4 2HB CYS 4 -5.618 3.504 -6.328 21 HB3 CYS 4 1HB CYS 4 -4.130 3.339 -5.403 22 HA PRO 5 HA PRO 5 -6.527 5.371 -6.594 23 HB2 PRO 5 2HB PRO 5 -8.819 6.741 -7.522 24 HB3 PRO 5 1HB PRO 5 -8.183 5.211 -8.122 25 HG2 PRO 5 2HG PRO 5 -10.618 5.546 -6.821 26 HG3 PRO 5 1HG PRO 5 -9.761 4.007 -7.013 27 HD2 PRO 5 2HD PRO 5 -9.838 5.855 -4.661 28 HD3 PRO 5 1HD PRO 5 -9.838 4.077 -4.703 29 H PHE 6 H PHE 6 -7.477 6.757 -3.874 30 HA PHE 6 HA PHE 6 -7.715 9.504 -4.504 31 HB2 PHE 6 2HB PHE 6 -6.770 8.318 -1.889 32 HB3 PHE 6 1HB PHE 6 -7.487 9.906 -2.138 33 HD1 PHE 6 1HD PHE 6 -9.898 10.012 -2.938 34 HD2 PHE 6 2HD PHE 6 -8.102 6.469 -1.410 35 HE1 PHE 6 1HE PHE 6 -12.129 9.073 -2.503 36 HE2 PHE 6 2HE PHE 6 -10.330 5.523 -0.974 37 HZ PHE 6 HZ PHE 6 -12.347 6.824 -1.521 38 H ASN 7 H ASN 7 -5.015 7.927 -2.768 39 HA ASN 7 HA ASN 7 -3.167 9.540 -4.373 40 HB2 ASN 7 2HB ASN 7 -3.667 10.623 -2.117 41 HB3 ASN 7 1HB ASN 7 -2.810 9.266 -1.393 42 HD21 ASN 7 1HD2 ASN 7 -1.972 11.864 -1.046 43 HD22 ASN 7 2HD2 ASN 7 -0.470 12.092 -1.883 44 H GLU 8 H GLU 8 -2.248 7.929 -5.485 45 HA GLU 8 HA GLU 8 -1.638 5.376 -4.419 46 HB2 GLU 8 2HB GLU 8 -0.459 4.960 -6.471 47 HB3 GLU 8 1HB GLU 8 -1.916 5.858 -6.847 48 HG2 GLU 8 2HG GLU 8 0.893 6.934 -6.751 49 HG3 GLU 8 1HG GLU 8 -0.091 6.658 -8.188 50 H ASN 9 H ASN 9 0.188 8.353 -4.755 51 HA ASN 9 HA ASN 9 2.685 7.293 -3.925 52 HB2 ASN 9 2HB ASN 9 1.548 10.018 -4.272 53 HB3 ASN 9 1HB ASN 9 2.953 9.870 -3.222 54 HD21 ASN 9 1HD2 ASN 9 1.742 9.586 -6.468 55 HD22 ASN 9 2HD2 ASN 9 3.296 9.469 -7.233 56 H GLU 10 H GLU 10 -0.092 8.548 -2.154 57 HA GLU 10 HA GLU 10 1.220 8.697 0.369 58 HB2 GLU 10 2HB GLU 10 -1.444 9.090 -0.620 59 HB3 GLU 10 1HB GLU 10 -1.510 8.040 0.790 60 HG2 GLU 10 2HG GLU 10 -0.383 9.673 2.133 61 HG3 GLU 10 1HG GLU 10 -0.102 10.698 0.726 62 H CYS 11 H CYS 11 -0.701 6.209 -1.253 63 HA CYS 11 HA CYS 11 -0.539 4.259 0.781 64 HB2 CYS 11 2HB CYS 11 -2.090 4.044 -1.095 65 HB3 CYS 11 1HB CYS 11 -0.750 3.948 -2.228 66 H HIS 12 H HIS 12 1.525 5.022 -1.959 67 HA HIS 12 HA HIS 12 3.418 2.966 -1.614 68 HB2 HIS 12 2HB HIS 12 3.074 4.507 -3.637 69 HB3 HIS 12 1HB HIS 12 4.015 5.701 -2.752 70 HD1 HIS 12 1HD HIS 12 4.617 3.769 -5.448 71 HD2 HIS 12 2HD HIS 12 6.469 3.878 -1.739 72 HE1 HIS 12 1HE HIS 12 6.909 2.791 -5.810 73 HE2 HIS 12 2HE HIS 12 7.935 2.693 -3.507 74 H ALA 13 H ALA 13 3.311 6.324 -0.453 75 HA ALA 13 HA ALA 13 5.784 6.347 0.876 76 HB1 ALA 13 1HB ALA 13 3.284 7.901 1.554 77 HB2 ALA 13 2HB ALA 13 4.515 8.386 0.386 78 HB3 ALA 13 3HB ALA 13 4.919 8.277 2.099 79 H HIS 14 H HIS 14 2.530 5.473 1.952 80 HA HIS 14 HA HIS 14 3.033 4.989 4.642 81 HB2 HIS 14 2HB HIS 14 0.775 4.858 3.760 82 HB3 HIS 14 1HB HIS 14 1.208 3.497 2.741 83 HD1 HIS 14 1HD HIS 14 1.373 4.201 6.495 84 HD2 HIS 14 2HD HIS 14 0.352 1.184 3.821 85 HE1 HIS 14 1HE HIS 14 0.652 2.255 7.915 86 HE2 HIS 14 2HE HIS 14 0.193 0.395 6.278 87 H CYS 15 H CYS 15 3.133 2.696 1.947 88 HA CYS 15 HA CYS 15 4.178 0.512 3.311 89 HB2 CYS 15 2HB CYS 15 4.220 1.392 0.468 90 HB3 CYS 15 1HB CYS 15 5.278 0.064 0.933 91 H LEU 16 H LEU 16 5.844 3.197 1.815 92 HA LEU 16 HA LEU 16 8.485 2.322 2.127 93 HB2 LEU 16 2HB LEU 16 7.164 4.986 1.871 94 HB3 LEU 16 1HB LEU 16 8.860 4.920 2.292 95 HG LEU 16 HG LEU 16 7.679 3.648 -0.179 96 HD11 LEU 16 1HD1 LEU 16 9.144 6.267 0.118 97 HD12 LEU 16 2HD1 LEU 16 7.434 6.071 -0.266 98 HD13 LEU 16 3HD1 LEU 16 8.662 5.519 -1.405 99 HD21 LEU 16 3HD2 LEU 16 9.998 3.496 -0.913 100 HD22 LEU 16 1HD2 LEU 16 9.755 2.617 0.596 101 HD23 LEU 16 2HD2 LEU 16 10.537 4.197 0.613 102 H SER 17 H SER 17 6.260 3.834 4.356 103 HA SER 17 HA SER 17 8.163 4.577 6.327 104 HB2 SER 17 2HB SER 17 5.254 3.975 6.849 105 HB3 SER 17 1HB SER 17 6.306 5.093 7.715 106 HG SER 17 HG SER 17 6.134 5.652 5.045 107 H ILE 18 H ILE 18 6.694 1.527 5.535 108 HA ILE 18 HA ILE 18 7.466 0.486 8.170 109 HB ILE 18 HB ILE 18 6.311 -1.662 6.980 110 HG12 ILE 18 2HG1 ILE 18 4.759 0.757 6.026 111 HG13 ILE 18 1HG1 ILE 18 5.677 -0.329 4.989 112 HG21 ILE 18 1HG2 ILE 18 4.367 -1.165 8.365 113 HG22 ILE 18 2HG2 ILE 18 4.896 0.510 8.522 114 HG23 ILE 18 3HG2 ILE 18 5.867 -0.790 9.216 115 HD11 ILE 18 3HD1 ILE 18 3.284 -1.086 6.648 116 HD12 ILE 18 1HD1 ILE 18 4.199 -2.166 5.596 117 HD13 ILE 18 2HD1 ILE 18 3.300 -0.815 4.906 118 H GLY 19 H GLY 19 9.335 1.199 6.040 119 HA2 GLY 19 2HA GLY 19 11.432 0.349 5.538 120 HA3 GLY 19 1HA GLY 19 10.931 -1.203 6.187 121 H ARG 20 H ARG 20 8.496 -0.763 4.236 122 HA ARG 20 HA ARG 20 9.550 -2.469 2.208 123 HB2 ARG 20 2HB ARG 20 6.992 -1.000 1.775 124 HB3 ARG 20 1HB ARG 20 7.392 -2.674 1.426 125 HG2 ARG 20 2HG ARG 20 6.940 -1.567 4.190 126 HG3 ARG 20 1HG ARG 20 5.719 -2.393 3.224 127 HD2 ARG 20 2HD ARG 20 7.636 -4.237 3.111 128 HD3 ARG 20 1HD ARG 20 8.088 -3.478 4.638 129 HE ARG 20 HE ARG 20 5.528 -4.830 4.056 130 HH11 ARG 20 1HH1 ARG 20 7.709 -3.345 6.383 131 HH12 ARG 20 2HH1 ARG 20 6.925 -4.068 7.749 132 HH21 ARG 20 1HH2 ARG 20 4.495 -5.756 5.843 133 HH22 ARG 20 2HH2 ARG 20 5.093 -5.433 7.445 134 H LYS 21 H LYS 21 9.391 -1.938 -0.147 135 HA LYS 21 HA LYS 21 10.350 0.795 -0.569 136 HB2 LYS 21 2HB LYS 21 10.878 -1.742 -2.097 137 HB3 LYS 21 1HB LYS 21 11.354 -0.153 -2.685 138 HG2 LYS 21 2HG LYS 21 12.243 -1.363 -0.073 139 HG3 LYS 21 1HG LYS 21 13.189 -1.351 -1.564 140 HD2 LYS 21 2HD LYS 21 13.735 0.829 -1.352 141 HD3 LYS 21 1HD LYS 21 12.155 1.268 -0.705 142 HE2 LYS 21 2HE LYS 21 14.122 -0.295 0.931 143 HE3 LYS 21 1HE LYS 21 14.219 1.462 0.828 144 HZ1 LYS 21 3HZ LYS 21 12.846 1.326 2.591 145 HZ2 LYS 21 1HZ LYS 21 12.269 -0.215 2.192 146 HZ3 LYS 21 2HZ LYS 21 11.643 1.152 1.413 147 H PHE 22 H PHE 22 8.138 -1.599 -1.783 148 HA PHE 22 HA PHE 22 6.690 0.532 -3.177 149 HB2 PHE 22 2HB PHE 22 6.883 -2.219 -4.378 150 HB3 PHE 22 1HB PHE 22 6.325 -0.737 -5.131 151 HD1 PHE 22 1HD PHE 22 7.998 1.058 -5.672 152 HD2 PHE 22 2HD PHE 22 9.135 -2.881 -4.528 153 HE1 PHE 22 1HE PHE 22 10.230 1.426 -6.640 154 HE2 PHE 22 2HE PHE 22 11.369 -2.519 -5.493 155 HZ PHE 22 HZ PHE 22 11.919 -0.364 -6.549 156 H GLY 23 H GLY 23 4.442 -0.138 -3.688 157 HA2 GLY 23 2HA GLY 23 3.116 -2.317 -2.658 158 HA3 GLY 23 1HA GLY 23 3.198 -1.154 -1.341 159 H PHE 24 H PHE 24 0.838 -2.099 -2.616 160 HA PHE 24 HA PHE 24 -0.383 0.437 -3.227 161 HB2 PHE 24 2HB PHE 24 -1.438 -0.437 -5.352 162 HB3 PHE 24 1HB PHE 24 0.274 -0.050 -5.470 163 HD1 PHE 24 2HD PHE 24 -2.187 -2.777 -5.346 164 HD2 PHE 24 1HD PHE 24 1.905 -1.746 -5.897 165 HE1 PHE 24 2HE PHE 24 -1.740 -5.034 -6.216 166 HE2 PHE 24 1HE PHE 24 2.359 -4.001 -6.771 167 HZ PHE 24 HZ PHE 24 0.536 -5.648 -6.930 168 H CYS 25 H CYS 25 -2.849 -0.083 -3.772 169 HA CYS 25 HA CYS 25 -3.779 -1.541 -1.504 170 HB2 CYS 25 2HB CYS 25 -5.760 -0.862 -3.571 171 HB3 CYS 25 1HB CYS 25 -5.740 -0.470 -1.856 172 H ALA 26 H ALA 26 -4.549 -3.543 -1.342 173 HA ALA 26 HA ALA 26 -5.268 -5.046 -3.734 174 HB1 ALA 26 1HB ALA 26 -3.858 -6.948 -3.124 175 HB2 ALA 26 2HB ALA 26 -3.183 -6.024 -1.782 176 HB3 ALA 26 3HB ALA 26 -2.885 -5.511 -3.443 177 H GLY 27 H GLY 27 -6.241 -7.189 -3.108 178 HA2 GLY 27 2HA GLY 27 -7.665 -8.479 -1.827 179 HA3 GLY 27 1HA GLY 27 -7.154 -7.559 -0.419 180 HA PRO 28 HA PRO 28 -10.950 -5.389 -2.704 181 HB2 PRO 28 2HB PRO 28 -12.461 -7.856 -3.285 182 HB3 PRO 28 1HB PRO 28 -12.214 -6.423 -4.288 183 HG2 PRO 28 2HG PRO 28 -10.996 -8.740 -4.845 184 HG3 PRO 28 1HG PRO 28 -10.191 -7.181 -5.109 185 HD2 PRO 28 2HD PRO 28 -9.835 -9.147 -2.877 186 HD3 PRO 28 1HD PRO 28 -8.612 -8.197 -3.748 187 H LEU 29 H LEU 29 -10.641 -7.865 -0.415 188 HA LEU 29 HA LEU 29 -13.282 -7.544 0.729 189 HB2 LEU 29 2HB LEU 29 -10.875 -9.085 1.702 190 HB3 LEU 29 1HB LEU 29 -12.459 -9.120 2.450 191 HG LEU 29 HG LEU 29 -11.857 -10.057 -0.357 192 HD11 LEU 29 1HD1 LEU 29 -10.820 -11.500 1.303 193 HD12 LEU 29 2HD1 LEU 29 -12.194 -12.305 0.544 194 HD13 LEU 29 3HD1 LEU 29 -12.352 -11.630 2.166 195 HD21 LEU 29 3HD2 LEU 29 -14.355 -10.275 1.319 196 HD22 LEU 29 1HD2 LEU 29 -14.114 -10.997 -0.271 197 HD23 LEU 29 2HD2 LEU 29 -14.139 -9.242 -0.095 198 H ARG 30 H ARG 30 -10.627 -5.648 0.742 199 HA ARG 30 HA ARG 30 -11.469 -4.304 3.156 200 HB2 ARG 30 2HB ARG 30 -9.622 -6.134 3.653 201 HB3 ARG 30 1HB ARG 30 -8.543 -4.879 3.058 202 HG2 ARG 30 2HG ARG 30 -8.662 -4.709 5.434 203 HG3 ARG 30 1HG ARG 30 -9.513 -3.328 4.738 204 HD2 ARG 30 2HD ARG 30 -11.145 -3.904 6.173 205 HD3 ARG 30 1HD ARG 30 -11.533 -5.122 4.960 206 HE ARG 30 HE ARG 30 -9.841 -5.652 7.320 207 HH11 ARG 30 1HH1 ARG 30 -12.262 -6.654 4.992 208 HH12 ARG 30 2HH1 ARG 30 -12.537 -8.187 5.754 209 HH21 ARG 30 1HH2 ARG 30 -10.194 -7.685 8.315 210 HH22 ARG 30 2HH2 ARG 30 -11.357 -8.777 7.640 211 H ALA 31 H ALA 31 -9.424 -4.483 0.336 212 HA ALA 31 HA ALA 31 -8.616 -2.937 -1.099 213 HB1 ALA 31 1HB ALA 31 -10.918 -2.106 -1.123 214 HB2 ALA 31 2HB ALA 31 -9.751 -0.795 -1.305 215 HB3 ALA 31 3HB ALA 31 -10.551 -1.054 0.245 216 H THR 32 H THR 32 -7.379 -3.348 1.502 217 HA THR 32 HA THR 32 -6.319 -0.760 2.261 218 HB THR 32 HB THR 32 -6.807 -2.520 3.974 219 HG1 THR 32 1HG THR 32 -4.777 -2.200 5.081 220 HG21 THR 32 3HG2 THR 32 -5.215 -4.368 4.254 221 HG22 THR 32 1HG2 THR 32 -4.419 -3.907 2.748 222 HG23 THR 32 2HG2 THR 32 -6.084 -4.489 2.724 223 H CYS 33 H CYS 33 -3.795 -0.775 2.577 224 HA CYS 33 HA CYS 33 -2.730 -1.323 -0.069 225 HB2 CYS 33 2HB CYS 33 -1.638 0.212 2.272 226 HB3 CYS 33 1HB CYS 33 -0.695 -0.108 0.830 227 H THR 34 H THR 34 -1.375 -2.811 -0.563 228 HA THR 34 HA THR 34 -0.112 -4.419 1.559 229 HB THR 34 HB THR 34 -0.781 -5.538 -1.149 230 HG1 THR 34 1HG THR 34 -2.543 -4.799 0.790 231 HG21 THR 34 3HG2 THR 34 -0.770 -7.663 0.081 232 HG22 THR 34 1HG2 THR 34 -0.442 -6.792 1.579 233 HG23 THR 34 2HG2 THR 34 0.754 -6.798 0.284 234 H CYS 35 H CYS 35 2.025 -4.338 1.485 235 HA CYS 35 HA CYS 35 3.312 -3.011 -0.732 236 HB2 CYS 35 2HB CYS 35 4.659 -4.130 1.713 237 HB3 CYS 35 1HB CYS 35 5.187 -2.800 0.686 238 H GLY 36 H GLY 36 5.344 -3.862 -1.630 239 HA2 GLY 36 2HA GLY 36 4.957 -6.410 -2.790 240 HA3 GLY 36 1HA GLY 36 6.411 -5.437 -2.909 241 H LYS 37 H LYS 37 6.163 -5.591 0.198 242 HA LYS 37 HA LYS 37 7.390 -8.241 0.502 243 HB2 LYS 37 2HB LYS 37 8.367 -5.581 1.515 244 HB3 LYS 37 1HB LYS 37 8.812 -7.077 2.326 245 HG2 LYS 37 2HG LYS 37 9.296 -6.563 -0.599 246 HG3 LYS 37 1HG LYS 37 10.480 -6.233 0.668 247 HD2 LYS 37 2HD LYS 37 10.967 -8.418 0.957 248 HD3 LYS 37 1HD LYS 37 9.293 -8.925 0.731 249 HE2 LYS 37 2HE LYS 37 10.794 -7.907 -1.628 250 HE3 LYS 37 1HE LYS 37 11.176 -9.520 -1.027 251 HZ1 LYS 37 3HZ LYS 37 8.432 -8.613 -1.732 252 HZ2 LYS 37 1HZ LYS 37 8.917 -10.185 -1.329 253 HZ3 LYS 37 2HZ LYS 37 9.444 -9.485 -2.773 254 H GLN 38 H GLN 38 4.694 -7.474 0.885 255 HA GLN 38 HA GLN 38 2.975 -7.790 2.310 256 HB2 GLN 38 2HB GLN 38 5.166 -9.298 3.552 257 HB3 GLN 38 1HB GLN 38 3.927 -8.783 4.686 258 HG2 GLN 38 2HG GLN 38 3.481 -10.397 2.184 259 HG3 GLN 38 1HG GLN 38 3.478 -11.010 3.836 260 HE21 GLN 38 1HE2 GLN 38 2.111 -8.518 4.758 261 HE22 GLN 38 2HE2 GLN 38 0.457 -8.735 4.303 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -10.536 4.212 -0.228 2 H2 GLY 1 2HT GLY 1 -10.863 2.948 -1.305 3 H3 GLY 1 3HT GLY 1 -9.306 3.612 -1.225 4 HA2 GLY 1 1HA GLY 1 -10.679 2.027 0.874 5 HA3 GLY 1 2HA GLY 1 -9.285 1.530 -0.079 6 H PHE 2 H PHE 2 -7.890 1.255 1.649 7 HA PHE 2 HA PHE 2 -7.565 3.189 3.706 8 HB2 PHE 2 2HB PHE 2 -6.918 0.741 3.835 9 HB3 PHE 2 1HB PHE 2 -5.525 1.132 2.832 10 HD1 PHE 2 1HD PHE 2 -7.186 2.350 5.944 11 HD2 PHE 2 2HD PHE 2 -3.541 1.539 3.905 12 HE1 PHE 2 1HE PHE 2 -5.925 2.977 7.960 13 HE2 PHE 2 2HE PHE 2 -2.272 2.164 5.918 14 HZ PHE 2 HZ PHE 2 -3.464 2.884 7.949 15 H GLY 3 H GLY 3 -5.986 2.579 0.634 16 HA2 GLY 3 2HA GLY 3 -4.438 5.062 1.001 17 HA3 GLY 3 1HA GLY 3 -3.921 3.715 -0.009 18 H CYS 4 H CYS 4 -4.808 3.431 -2.031 19 HA CYS 4 HA CYS 4 -5.609 5.754 -3.399 20 HB2 CYS 4 2HB CYS 4 -5.993 4.207 -5.311 21 HB3 CYS 4 1HB CYS 4 -4.435 3.953 -4.533 22 HA PRO 5 HA PRO 5 -6.642 5.879 -5.434 23 HB2 PRO 5 2HB PRO 5 -8.807 7.483 -6.316 24 HB3 PRO 5 1HB PRO 5 -8.262 5.956 -7.008 25 HG2 PRO 5 2HG PRO 5 -10.702 6.372 -5.738 26 HG3 PRO 5 1HG PRO 5 -9.950 4.794 -6.023 27 HD2 PRO 5 2HD PRO 5 -9.975 6.467 -3.545 28 HD3 PRO 5 1HD PRO 5 -10.078 4.700 -3.720 29 H PHE 6 H PHE 6 -7.702 7.220 -2.670 30 HA PHE 6 HA PHE 6 -7.271 10.000 -3.379 31 HB2 PHE 6 2HB PHE 6 -7.940 8.755 -0.705 32 HB3 PHE 6 1HB PHE 6 -7.916 10.479 -1.061 33 HD1 PHE 6 2HD PHE 6 -9.531 11.330 -2.861 34 HD2 PHE 6 1HD PHE 6 -9.874 7.514 -1.006 35 HE1 PHE 6 2HE PHE 6 -11.894 11.215 -3.539 36 HE2 PHE 6 1HE PHE 6 -12.238 7.393 -1.682 37 HZ PHE 6 HZ PHE 6 -13.251 9.246 -2.951 38 H ASN 7 H ASN 7 -6.063 8.081 -0.628 39 HA ASN 7 HA ASN 7 -3.599 9.658 -0.754 40 HB2 ASN 7 2HB ASN 7 -3.573 8.089 1.587 41 HB3 ASN 7 1HB ASN 7 -3.841 9.822 1.456 42 HD21 ASN 7 1HD2 ASN 7 -5.269 6.748 2.045 43 HD22 ASN 7 2HD2 ASN 7 -6.855 7.321 2.413 44 H GLU 8 H GLU 8 -3.399 8.008 -2.715 45 HA GLU 8 HA GLU 8 -2.377 5.424 -2.024 46 HB2 GLU 8 2HB GLU 8 -3.286 6.481 -4.351 47 HB3 GLU 8 1HB GLU 8 -1.554 6.636 -4.601 48 HG2 GLU 8 2HG GLU 8 -3.166 4.139 -4.194 49 HG3 GLU 8 1HG GLU 8 -2.170 4.591 -5.574 50 H ASN 9 H ASN 9 -0.959 8.513 -2.988 51 HA ASN 9 HA ASN 9 1.736 7.734 -2.995 52 HB2 ASN 9 2HB ASN 9 0.481 10.418 -2.355 53 HB3 ASN 9 1HB ASN 9 2.204 10.168 -2.611 54 HD21 ASN 9 1HD2 ASN 9 0.094 11.723 -4.051 55 HD22 ASN 9 2HD2 ASN 9 0.240 11.228 -5.701 56 H GLU 10 H GLU 10 -0.388 8.823 -0.441 57 HA GLU 10 HA GLU 10 1.599 9.051 1.573 58 HB2 GLU 10 2HB GLU 10 -1.405 8.738 1.719 59 HB3 GLU 10 1HB GLU 10 -0.388 9.026 3.123 60 HG2 GLU 10 2HG GLU 10 -1.398 11.092 2.397 61 HG3 GLU 10 1HG GLU 10 0.344 11.156 2.143 62 H CYS 11 H CYS 11 -0.781 6.502 0.818 63 HA CYS 11 HA CYS 11 0.084 4.746 2.871 64 HB2 CYS 11 2HB CYS 11 -2.057 4.726 1.276 65 HB3 CYS 11 1HB CYS 11 -1.042 3.642 0.331 66 H HIS 12 H HIS 12 0.941 5.177 -0.491 67 HA HIS 12 HA HIS 12 2.687 3.017 -0.844 68 HB2 HIS 12 2HB HIS 12 1.673 4.868 -2.473 69 HB3 HIS 12 1HB HIS 12 3.230 5.631 -2.179 70 HD1 HIS 12 1HD HIS 12 1.622 3.438 -4.456 71 HD2 HIS 12 2HD HIS 12 5.426 3.649 -2.771 72 HE1 HIS 12 1HE HIS 12 3.133 2.099 -5.979 73 HE2 HIS 12 2HE HIS 12 5.443 2.370 -5.014 74 H ALA 13 H ALA 13 3.407 6.429 -0.079 75 HA ALA 13 HA ALA 13 6.172 6.123 0.255 76 HB1 ALA 13 1HB ALA 13 4.363 8.141 1.579 77 HB2 ALA 13 2HB ALA 13 5.092 8.303 -0.019 78 HB3 ALA 13 3HB ALA 13 6.114 8.262 1.418 79 H HIS 14 H HIS 14 3.510 5.907 2.586 80 HA HIS 14 HA HIS 14 5.022 5.630 4.915 81 HB2 HIS 14 2HB HIS 14 2.537 5.871 4.836 82 HB3 HIS 14 1HB HIS 14 2.428 4.201 4.305 83 HD1 HIS 14 1HD HIS 14 4.578 5.603 7.111 84 HD2 HIS 14 2HD HIS 14 1.432 2.948 6.503 85 HE1 HIS 14 1HE HIS 14 4.208 4.472 9.330 86 HE2 HIS 14 2HE HIS 14 2.225 2.957 8.965 87 H CYS 15 H CYS 15 3.725 3.096 2.798 88 HA CYS 15 HA CYS 15 4.854 0.908 4.109 89 HB2 CYS 15 2HB CYS 15 3.124 0.956 2.196 90 HB3 CYS 15 1HB CYS 15 4.518 1.006 1.121 91 H LEU 16 H LEU 16 6.137 2.985 1.616 92 HA LEU 16 HA LEU 16 8.520 1.571 1.113 93 HB2 LEU 16 2HB LEU 16 7.416 4.227 0.513 94 HB3 LEU 16 1HB LEU 16 9.165 4.169 0.590 95 HG LEU 16 HG LEU 16 9.264 2.539 -1.176 96 HD11 LEU 16 1HD1 LEU 16 6.253 2.491 -1.037 97 HD12 LEU 16 2HD1 LEU 16 7.345 1.185 -0.578 98 HD13 LEU 16 3HD1 LEU 16 7.231 1.687 -2.265 99 HD21 LEU 16 3HD2 LEU 16 7.279 4.704 -1.863 100 HD22 LEU 16 1HD2 LEU 16 8.225 3.772 -3.022 101 HD23 LEU 16 2HD2 LEU 16 9.037 4.855 -1.892 102 H SER 17 H SER 17 7.575 3.758 3.631 103 HA SER 17 HA SER 17 10.223 4.402 4.507 104 HB2 SER 17 2HB SER 17 7.671 4.604 6.114 105 HB3 SER 17 1HB SER 17 9.171 5.492 6.373 106 HG SER 17 HG SER 17 7.973 5.744 3.871 107 H ILE 18 H ILE 18 8.197 1.649 4.908 108 HA ILE 18 HA ILE 18 9.671 0.892 7.330 109 HB ILE 18 HB ILE 18 7.921 -1.175 6.985 110 HG12 ILE 18 2HG1 ILE 18 6.433 1.354 6.244 111 HG13 ILE 18 1HG1 ILE 18 6.809 0.052 5.120 112 HG21 ILE 18 1HG2 ILE 18 8.438 0.039 9.049 113 HG22 ILE 18 2HG2 ILE 18 6.701 -0.186 8.841 114 HG23 ILE 18 3HG2 ILE 18 7.432 1.385 8.507 115 HD11 ILE 18 3HD1 ILE 18 5.443 -1.480 6.430 116 HD12 ILE 18 1HD1 ILE 18 4.513 -0.077 5.904 117 HD13 ILE 18 2HD1 ILE 18 5.079 -0.186 7.571 118 H GLY 19 H GLY 19 10.876 0.904 4.699 119 HA2 GLY 19 2HA GLY 19 12.670 -0.448 4.007 120 HA3 GLY 19 1HA GLY 19 11.937 -1.810 4.828 121 H ARG 20 H ARG 20 9.369 -0.826 3.262 122 HA ARG 20 HA ARG 20 9.696 -2.782 1.194 123 HB2 ARG 20 2HB ARG 20 7.461 -0.897 1.917 124 HB3 ARG 20 1HB ARG 20 7.379 -1.937 0.502 125 HG2 ARG 20 2HG ARG 20 6.251 -3.155 2.108 126 HG3 ARG 20 1HG ARG 20 7.869 -3.855 2.158 127 HD2 ARG 20 2HD ARG 20 8.394 -2.785 4.172 128 HD3 ARG 20 1HD ARG 20 7.084 -1.617 3.998 129 HE ARG 20 HE ARG 20 5.642 -3.792 4.227 130 HH11 ARG 20 1HH1 ARG 20 8.557 -2.988 6.032 131 HH12 ARG 20 2HH1 ARG 20 8.089 -3.929 7.409 132 HH21 ARG 20 1HH2 ARG 20 5.045 -4.992 6.000 133 HH22 ARG 20 2HH2 ARG 20 6.075 -5.081 7.399 134 H LYS 21 H LYS 21 9.606 -2.439 -1.073 135 HA LYS 21 HA LYS 21 10.588 0.203 -1.871 136 HB2 LYS 21 2HB LYS 21 11.107 -2.543 -2.902 137 HB3 LYS 21 1HB LYS 21 11.242 -1.185 -4.010 138 HG2 LYS 21 2HG LYS 21 13.381 -1.235 -3.292 139 HG3 LYS 21 1HG LYS 21 12.713 -0.219 -2.013 140 HD2 LYS 21 2HD LYS 21 12.268 -2.529 -0.846 141 HD3 LYS 21 1HD LYS 21 13.542 -3.087 -1.932 142 HE2 LYS 21 2HE LYS 21 14.550 -2.459 0.145 143 HE3 LYS 21 1HE LYS 21 14.990 -1.253 -1.063 144 HZ1 LYS 21 3HZ LYS 21 14.382 -0.125 0.927 145 HZ2 LYS 21 1HZ LYS 21 12.936 -0.994 1.070 146 HZ3 LYS 21 2HZ LYS 21 13.133 0.130 -0.181 147 H PHE 22 H PHE 22 8.333 -2.308 -2.756 148 HA PHE 22 HA PHE 22 6.781 -0.318 -4.246 149 HB2 PHE 22 2HB PHE 22 6.797 -3.113 -5.284 150 HB3 PHE 22 1HB PHE 22 6.496 -1.609 -6.134 151 HD1 PHE 22 2HD PHE 22 8.410 -0.144 -6.763 152 HD2 PHE 22 1HD PHE 22 8.957 -4.082 -5.242 153 HE1 PHE 22 2HE PHE 22 10.705 -0.164 -7.650 154 HE2 PHE 22 1HE PHE 22 11.254 -4.109 -6.126 155 HZ PHE 22 HZ PHE 22 12.131 -2.147 -7.332 156 H GLY 23 H GLY 23 4.550 -0.853 -4.442 157 HA2 GLY 23 2HA GLY 23 3.060 -2.882 -3.556 158 HA3 GLY 23 1HA GLY 23 3.552 -2.130 -2.043 159 H PHE 24 H PHE 24 0.875 -2.355 -2.991 160 HA PHE 24 HA PHE 24 -0.019 0.302 -2.607 161 HB2 PHE 24 2HB PHE 24 -1.158 0.646 -4.782 162 HB3 PHE 24 1HB PHE 24 0.592 0.632 -4.949 163 HD1 PHE 24 1HD PHE 24 1.718 -1.339 -5.946 164 HD2 PHE 24 2HD PHE 24 -2.520 -0.959 -5.873 165 HE1 PHE 24 1HE PHE 24 1.537 -3.064 -7.690 166 HE2 PHE 24 2HE PHE 24 -2.709 -2.687 -7.615 167 HZ PHE 24 HZ PHE 24 -0.679 -3.743 -8.525 168 H CYS 25 H CYS 25 -2.560 0.295 -3.263 169 HA CYS 25 HA CYS 25 -3.687 -1.700 -1.620 170 HB2 CYS 25 2HB CYS 25 -5.672 -0.580 -3.365 171 HB3 CYS 25 1HB CYS 25 -5.430 -0.309 -1.643 172 H ALA 26 H ALA 26 -3.674 -3.758 -2.126 173 HA ALA 26 HA ALA 26 -5.159 -4.739 -4.367 174 HB1 ALA 26 1HB ALA 26 -3.060 -4.206 -5.523 175 HB2 ALA 26 2HB ALA 26 -3.352 -5.944 -5.483 176 HB3 ALA 26 3HB ALA 26 -2.177 -5.222 -4.385 177 H GLY 27 H GLY 27 -5.204 -7.148 -4.374 178 HA2 GLY 27 2HA GLY 27 -4.360 -9.140 -3.096 179 HA3 GLY 27 1HA GLY 27 -4.670 -8.176 -1.660 180 HA PRO 28 HA PRO 28 -8.672 -10.079 -1.737 181 HB2 PRO 28 2HB PRO 28 -9.786 -8.806 0.334 182 HB3 PRO 28 1HB PRO 28 -8.441 -9.929 0.568 183 HG2 PRO 28 2HG PRO 28 -8.423 -6.940 0.498 184 HG3 PRO 28 1HG PRO 28 -7.545 -8.038 1.576 185 HD2 PRO 28 2HD PRO 28 -6.457 -6.829 -0.655 186 HD3 PRO 28 1HD PRO 28 -5.840 -8.319 0.086 187 H LEU 29 H LEU 29 -11.065 -9.048 -1.208 188 HA LEU 29 HA LEU 29 -11.577 -7.325 -3.465 189 HB2 LEU 29 2HB LEU 29 -13.441 -8.529 -1.416 190 HB3 LEU 29 1HB LEU 29 -13.959 -7.630 -2.827 191 HG LEU 29 HG LEU 29 -12.423 -10.228 -2.912 192 HD11 LEU 29 1HD1 LEU 29 -15.345 -9.668 -3.400 193 HD12 LEU 29 2HD1 LEU 29 -14.670 -10.542 -2.024 194 HD13 LEU 29 3HD1 LEU 29 -14.534 -11.213 -3.650 195 HD21 LEU 29 3HD2 LEU 29 -12.984 -10.203 -5.292 196 HD22 LEU 29 1HD2 LEU 29 -12.013 -8.798 -4.849 197 HD23 LEU 29 2HD2 LEU 29 -13.750 -8.626 -5.098 198 H ARG 30 H ARG 30 -10.034 -6.098 -1.483 199 HA ARG 30 HA ARG 30 -11.721 -3.819 -0.821 200 HB2 ARG 30 2HB ARG 30 -10.140 -5.416 1.189 201 HB3 ARG 30 1HB ARG 30 -10.514 -3.721 1.453 202 HG2 ARG 30 2HG ARG 30 -12.454 -6.003 1.185 203 HG3 ARG 30 1HG ARG 30 -12.134 -5.014 2.611 204 HD2 ARG 30 2HD ARG 30 -12.973 -3.039 1.359 205 HD3 ARG 30 1HD ARG 30 -13.406 -4.114 0.030 206 HE ARG 30 HE ARG 30 -14.651 -4.076 2.693 207 HH11 ARG 30 1HH1 ARG 30 -14.644 -5.117 -0.651 208 HH12 ARG 30 2HH1 ARG 30 -16.298 -5.642 -0.624 209 HH21 ARG 30 1HH2 ARG 30 -16.834 -4.781 2.737 210 HH22 ARG 30 2HH2 ARG 30 -17.543 -5.456 1.309 211 H ALA 31 H ALA 31 -10.585 -1.888 -0.828 212 HA ALA 31 HA ALA 31 -8.076 -1.955 -2.217 213 HB1 ALA 31 1HB ALA 31 -8.273 0.467 -2.299 214 HB2 ALA 31 2HB ALA 31 -9.623 0.408 -1.164 215 HB3 ALA 31 3HB ALA 31 -9.790 -0.299 -2.770 216 H THR 32 H THR 32 -7.077 -3.155 -0.365 217 HA THR 32 HA THR 32 -6.091 -1.340 1.731 218 HB THR 32 HB THR 32 -5.741 -4.338 1.688 219 HG1 THR 32 1HG THR 32 -7.643 -4.215 3.178 220 HG21 THR 32 3HG2 THR 32 -4.351 -3.094 3.266 221 HG22 THR 32 1HG2 THR 32 -5.568 -4.041 4.123 222 HG23 THR 32 2HG2 THR 32 -5.784 -2.302 3.922 223 H CYS 33 H CYS 33 -3.966 -0.780 1.765 224 HA CYS 33 HA CYS 33 -2.367 -1.321 -0.521 225 HB2 CYS 33 2HB CYS 33 -1.198 -0.218 2.002 226 HB3 CYS 33 1HB CYS 33 -0.847 0.209 0.332 227 H THR 34 H THR 34 -1.225 -3.012 -0.913 228 HA THR 34 HA THR 34 0.055 -4.462 1.309 229 HB THR 34 HB THR 34 -0.901 -5.802 -1.220 230 HG1 THR 34 1HG THR 34 -2.866 -5.808 -0.433 231 HG21 THR 34 3HG2 THR 34 -0.210 -6.866 1.522 232 HG22 THR 34 1HG2 THR 34 0.804 -6.980 0.084 233 HG23 THR 34 2HG2 THR 34 -0.739 -7.832 0.145 234 H CYS 35 H CYS 35 2.210 -4.733 1.066 235 HA CYS 35 HA CYS 35 3.361 -3.887 -1.504 236 HB2 CYS 35 2HB CYS 35 4.413 -3.820 1.317 237 HB3 CYS 35 1HB CYS 35 5.471 -3.616 -0.074 238 H GLY 36 H GLY 36 5.551 -4.914 -1.973 239 HA2 GLY 36 2HA GLY 36 5.205 -7.691 -2.339 240 HA3 GLY 36 1HA GLY 36 6.696 -6.801 -2.608 241 H LYS 37 H LYS 37 6.528 -5.886 0.240 242 HA LYS 37 HA LYS 37 7.436 -8.370 1.523 243 HB2 LYS 37 2HB LYS 37 8.589 -5.585 1.775 244 HB3 LYS 37 1HB LYS 37 9.008 -6.912 2.848 245 HG2 LYS 37 2HG LYS 37 9.506 -6.770 -0.118 246 HG3 LYS 37 1HG LYS 37 10.710 -6.656 1.166 247 HD2 LYS 37 2HD LYS 37 8.984 -9.067 0.595 248 HD3 LYS 37 1HD LYS 37 10.671 -8.882 0.115 249 HE2 LYS 37 2HE LYS 37 11.373 -8.803 2.414 250 HE3 LYS 37 1HE LYS 37 9.699 -8.791 2.968 251 HZ1 LYS 37 3HZ LYS 37 9.439 -11.013 1.973 252 HZ2 LYS 37 1HZ LYS 37 10.608 -10.984 3.197 253 HZ3 LYS 37 2HZ LYS 37 11.082 -11.019 1.574 254 H GLN 38 H GLN 38 4.841 -7.648 1.624 255 HA GLN 38 HA GLN 38 3.136 -7.547 3.110 256 HB2 GLN 38 2HB GLN 38 4.583 -8.621 4.776 257 HB3 GLN 38 1HB GLN 38 5.275 -7.062 5.197 258 HG2 GLN 38 2HG GLN 38 2.995 -6.331 5.900 259 HG3 GLN 38 1HG GLN 38 2.451 -7.988 5.648 260 HE21 GLN 38 1HE2 GLN 38 3.115 -9.589 7.056 261 HE22 GLN 38 2HE2 GLN 38 3.850 -9.240 8.578 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -10.180 1.665 -3.277 2 H2 GLY 1 2HT GLY 1 -9.081 2.882 -2.848 3 H3 GLY 1 3HT GLY 1 -10.625 2.853 -2.155 4 HA2 GLY 1 1HA GLY 1 -10.090 0.701 -1.109 5 HA3 GLY 1 2HA GLY 1 -8.451 0.889 -1.724 6 H PHE 2 H PHE 2 -7.610 0.922 0.400 7 HA PHE 2 HA PHE 2 -8.427 2.606 2.464 8 HB2 PHE 2 2HB PHE 2 -6.792 0.738 2.688 9 HB3 PHE 2 1HB PHE 2 -5.597 1.722 1.853 10 HD1 PHE 2 2HD PHE 2 -7.791 1.712 4.853 11 HD2 PHE 2 1HD PHE 2 -4.199 3.121 3.058 12 HE1 PHE 2 2HE PHE 2 -7.107 2.695 7.002 13 HE2 PHE 2 1HE PHE 2 -3.507 4.105 5.204 14 HZ PHE 2 HZ PHE 2 -4.962 3.893 7.179 15 H GLY 3 H GLY 3 -5.666 3.139 0.271 16 HA2 GLY 3 2HA GLY 3 -6.084 6.040 0.643 17 HA3 GLY 3 1HA GLY 3 -4.508 5.305 0.376 18 H CYS 4 H CYS 4 -4.951 3.611 -1.663 19 HA CYS 4 HA CYS 4 -4.919 5.294 -3.922 20 HB2 CYS 4 2HB CYS 4 -5.414 2.480 -4.491 21 HB3 CYS 4 1HB CYS 4 -4.009 3.473 -4.878 22 HA PRO 5 HA PRO 5 -5.143 5.295 -5.865 23 HB2 PRO 5 2HB PRO 5 -6.317 6.394 -8.001 24 HB3 PRO 5 1HB PRO 5 -6.226 4.642 -7.797 25 HG2 PRO 5 2HG PRO 5 -8.544 6.460 -7.500 26 HG3 PRO 5 1HG PRO 5 -8.506 4.749 -7.950 27 HD2 PRO 5 2HD PRO 5 -9.070 5.867 -5.385 28 HD3 PRO 5 1HD PRO 5 -8.934 4.151 -5.813 29 H PHE 6 H PHE 6 -7.618 7.095 -4.455 30 HA PHE 6 HA PHE 6 -7.149 9.709 -5.307 31 HB2 PHE 6 2HB PHE 6 -9.062 8.840 -3.871 32 HB3 PHE 6 1HB PHE 6 -7.961 8.940 -2.503 33 HD1 PHE 6 1HD PHE 6 -8.178 11.332 -5.322 34 HD2 PHE 6 2HD PHE 6 -9.027 10.584 -1.219 35 HE1 PHE 6 1HE PHE 6 -8.778 13.699 -5.019 36 HE2 PHE 6 2HE PHE 6 -9.626 12.949 -0.908 37 HZ PHE 6 HZ PHE 6 -9.502 14.511 -2.809 38 H ASN 7 H ASN 7 -6.009 8.286 -2.230 39 HA ASN 7 HA ASN 7 -3.746 10.168 -2.346 40 HB2 ASN 7 2HB ASN 7 -5.164 8.911 0.005 41 HB3 ASN 7 1HB ASN 7 -3.579 9.662 0.162 42 HD21 ASN 7 1HD2 ASN 7 -4.036 11.417 1.350 43 HD22 ASN 7 2HD2 ASN 7 -5.154 12.653 0.871 44 H GLU 8 H GLU 8 -3.596 7.956 -3.896 45 HA GLU 8 HA GLU 8 -2.474 5.684 -2.682 46 HB2 GLU 8 2HB GLU 8 -3.357 5.728 -4.998 47 HB3 GLU 8 1HB GLU 8 -1.978 6.707 -5.481 48 HG2 GLU 8 2HG GLU 8 -0.469 4.954 -5.159 49 HG3 GLU 8 1HG GLU 8 -1.617 4.027 -4.196 50 H ASN 9 H ASN 9 -1.048 8.678 -3.837 51 HA ASN 9 HA ASN 9 1.647 7.940 -3.733 52 HB2 ASN 9 2HB ASN 9 0.171 10.525 -3.594 53 HB3 ASN 9 1HB ASN 9 1.851 10.524 -3.065 54 HD21 ASN 9 1HD2 ASN 9 0.614 11.808 -5.374 55 HD22 ASN 9 2HD2 ASN 9 1.457 11.208 -6.757 56 H GLU 10 H GLU 10 -0.520 9.112 -1.197 57 HA GLU 10 HA GLU 10 1.508 9.277 0.802 58 HB2 GLU 10 2HB GLU 10 -1.498 9.087 1.050 59 HB3 GLU 10 1HB GLU 10 -0.403 9.422 2.386 60 HG2 GLU 10 2HG GLU 10 0.332 11.466 1.264 61 HG3 GLU 10 1HG GLU 10 -0.784 11.134 -0.060 62 H CYS 11 H CYS 11 -0.971 6.892 -0.032 63 HA CYS 11 HA CYS 11 -0.428 5.032 1.995 64 HB2 CYS 11 2HB CYS 11 -2.383 4.580 0.826 65 HB3 CYS 11 1HB CYS 11 -1.651 4.899 -0.736 66 H HIS 12 H HIS 12 0.835 5.306 -1.280 67 HA HIS 12 HA HIS 12 2.597 3.126 -1.229 68 HB2 HIS 12 2HB HIS 12 1.790 4.568 -3.212 69 HB3 HIS 12 1HB HIS 12 3.089 5.667 -2.776 70 HD1 HIS 12 1HD HIS 12 2.381 2.760 -4.799 71 HD2 HIS 12 2HD HIS 12 5.716 4.330 -2.885 72 HE1 HIS 12 1HE HIS 12 4.368 1.671 -5.896 73 HE2 HIS 12 2HE HIS 12 6.377 2.732 -4.805 74 H ALA 13 H ALA 13 3.127 6.572 -0.504 75 HA ALA 13 HA ALA 13 5.869 6.407 0.065 76 HB1 ALA 13 1HB ALA 13 3.844 8.319 1.225 77 HB2 ALA 13 2HB ALA 13 4.706 8.533 -0.299 78 HB3 ALA 13 3HB ALA 13 5.594 8.533 1.226 79 H HIS 14 H HIS 14 3.027 6.102 2.166 80 HA HIS 14 HA HIS 14 4.332 5.825 4.618 81 HB2 HIS 14 2HB HIS 14 1.885 6.029 4.413 82 HB3 HIS 14 1HB HIS 14 1.807 4.429 3.699 83 HD1 HIS 14 1HD HIS 14 3.634 5.581 6.840 84 HD2 HIS 14 2HD HIS 14 0.734 2.858 5.626 85 HE1 HIS 14 1HE HIS 14 3.118 4.191 8.873 86 HE2 HIS 14 2HE HIS 14 1.413 2.507 8.097 87 H CYS 15 H CYS 15 3.325 3.376 2.296 88 HA CYS 15 HA CYS 15 4.256 1.101 3.576 89 HB2 CYS 15 2HB CYS 15 2.907 0.863 1.618 90 HB3 CYS 15 1HB CYS 15 4.052 1.775 0.643 91 H LEU 16 H LEU 16 5.947 3.281 1.419 92 HA LEU 16 HA LEU 16 8.415 1.922 1.364 93 HB2 LEU 16 2HB LEU 16 7.402 4.588 0.626 94 HB3 LEU 16 1HB LEU 16 9.115 4.515 0.985 95 HG LEU 16 HG LEU 16 9.454 2.852 -0.753 96 HD11 LEU 16 1HD1 LEU 16 6.485 3.055 -1.232 97 HD12 LEU 16 2HD1 LEU 16 7.327 1.672 -0.534 98 HD13 LEU 16 3HD1 LEU 16 7.634 2.139 -2.208 99 HD21 LEU 16 3HD2 LEU 16 9.561 5.171 -1.435 100 HD22 LEU 16 1HD2 LEU 16 7.816 5.201 -1.694 101 HD23 LEU 16 2HD2 LEU 16 8.842 4.200 -2.721 102 H SER 17 H SER 17 6.977 4.078 3.673 103 HA SER 17 HA SER 17 9.399 4.763 5.031 104 HB2 SER 17 2HB SER 17 6.629 4.880 6.218 105 HB3 SER 17 1HB SER 17 8.029 5.874 6.618 106 HG SER 17 HG SER 17 7.279 6.009 3.976 107 H ILE 18 H ILE 18 7.411 1.959 5.019 108 HA ILE 18 HA ILE 18 8.312 1.198 7.701 109 HB ILE 18 HB ILE 18 6.855 -0.919 6.403 110 HG12 ILE 18 2HG1 ILE 18 5.354 1.700 6.611 111 HG13 ILE 18 1HG1 ILE 18 5.879 0.981 5.093 112 HG21 ILE 18 1HG2 ILE 18 6.096 0.834 8.735 113 HG22 ILE 18 2HG2 ILE 18 7.190 -0.546 8.834 114 HG23 ILE 18 3HG2 ILE 18 5.502 -0.790 8.385 115 HD11 ILE 18 3HD1 ILE 18 3.534 0.533 5.525 116 HD12 ILE 18 1HD1 ILE 18 3.953 -0.248 7.051 117 HD13 ILE 18 2HD1 ILE 18 4.473 -0.961 5.523 118 H GLY 19 H GLY 19 10.043 1.427 5.286 119 HA2 GLY 19 2HA GLY 19 12.067 0.325 4.878 120 HA3 GLY 19 1HA GLY 19 11.433 -1.097 5.691 121 H ARG 20 H ARG 20 8.957 -0.692 3.880 122 HA ARG 20 HA ARG 20 9.748 -2.609 1.938 123 HB2 ARG 20 2HB ARG 20 7.235 -1.003 2.345 124 HB3 ARG 20 1HB ARG 20 7.430 -2.081 0.970 125 HG2 ARG 20 2HG ARG 20 6.348 -3.450 2.447 126 HG3 ARG 20 1HG ARG 20 8.029 -3.843 2.804 127 HD2 ARG 20 2HD ARG 20 8.018 -2.510 4.764 128 HD3 ARG 20 1HD ARG 20 6.487 -1.754 4.326 129 HE ARG 20 HE ARG 20 5.607 -4.184 4.560 130 HH11 ARG 20 1HH1 ARG 20 8.088 -2.691 6.560 131 HH12 ARG 20 2HH1 ARG 20 7.730 -3.679 7.939 132 HH21 ARG 20 1HH2 ARG 20 5.133 -5.464 6.369 133 HH22 ARG 20 2HH2 ARG 20 6.051 -5.256 7.835 134 H LYS 21 H LYS 21 9.559 -2.326 -0.415 135 HA LYS 21 HA LYS 21 10.572 0.311 -1.192 136 HB2 LYS 21 2HB LYS 21 10.963 -2.402 -2.437 137 HB3 LYS 21 1HB LYS 21 11.471 -0.905 -3.211 138 HG2 LYS 21 2HG LYS 21 12.413 -1.834 -0.505 139 HG3 LYS 21 1HG LYS 21 13.295 -2.064 -2.016 140 HD2 LYS 21 2HD LYS 21 13.969 0.088 -2.097 141 HD3 LYS 21 1HD LYS 21 12.428 0.696 -1.489 142 HE2 LYS 21 2HE LYS 21 14.375 -0.728 0.296 143 HE3 LYS 21 1HE LYS 21 14.513 0.999 -0.023 144 HZ1 LYS 21 3HZ LYS 21 12.523 -0.452 1.546 145 HZ2 LYS 21 1HZ LYS 21 11.961 0.877 0.653 146 HZ3 LYS 21 2HZ LYS 21 13.193 1.082 1.794 147 H PHE 22 H PHE 22 8.085 -1.986 -1.791 148 HA PHE 22 HA PHE 22 6.712 -0.038 -3.463 149 HB2 PHE 22 2HB PHE 22 6.472 -2.858 -4.369 150 HB3 PHE 22 1HB PHE 22 6.324 -1.374 -5.289 151 HD1 PHE 22 2HD PHE 22 8.324 -0.222 -6.130 152 HD2 PHE 22 1HD PHE 22 8.568 -3.992 -4.166 153 HE1 PHE 22 2HE PHE 22 10.587 -0.546 -7.040 154 HE2 PHE 22 1HE PHE 22 10.831 -4.322 -5.075 155 HZ PHE 22 HZ PHE 22 11.843 -2.598 -6.513 156 H GLY 23 H GLY 23 4.445 -0.362 -3.530 157 HA2 GLY 23 2HA GLY 23 2.962 -2.378 -2.413 158 HA3 GLY 23 1HA GLY 23 3.398 -1.342 -1.061 159 H PHE 24 H PHE 24 0.789 -1.926 -2.209 160 HA PHE 24 HA PHE 24 -0.309 0.683 -2.157 161 HB2 PHE 24 2HB PHE 24 -1.320 0.691 -4.426 162 HB3 PHE 24 1HB PHE 24 0.434 0.831 -4.470 163 HD1 PHE 24 2HD PHE 24 1.810 -1.044 -5.253 164 HD2 PHE 24 1HD PHE 24 -2.441 -1.209 -5.349 165 HE1 PHE 24 2HE PHE 24 1.922 -2.947 -6.808 166 HE2 PHE 24 1HE PHE 24 -2.337 -3.110 -6.907 167 HZ PHE 24 HZ PHE 24 -0.153 -3.982 -7.637 168 H CYS 25 H CYS 25 -2.789 0.376 -3.000 169 HA CYS 25 HA CYS 25 -3.916 -1.440 -1.185 170 HB2 CYS 25 2HB CYS 25 -5.251 -0.196 -3.600 171 HB3 CYS 25 1HB CYS 25 -6.060 -0.855 -2.181 172 H ALA 26 H ALA 26 -3.757 -3.563 -1.316 173 HA ALA 26 HA ALA 26 -4.432 -4.861 -3.864 174 HB1 ALA 26 1HB ALA 26 -1.991 -4.845 -3.687 175 HB2 ALA 26 2HB ALA 26 -2.635 -6.483 -3.577 176 HB3 ALA 26 3HB ALA 26 -2.100 -5.648 -2.120 177 H GLY 27 H GLY 27 -6.095 -6.153 -3.554 178 HA2 GLY 27 2HA GLY 27 -6.536 -8.331 -2.214 179 HA3 GLY 27 1HA GLY 27 -6.613 -7.206 -0.863 180 HA PRO 28 HA PRO 28 -10.416 -6.897 -4.054 181 HB2 PRO 28 2HB PRO 28 -11.105 -9.731 -3.472 182 HB3 PRO 28 1HB PRO 28 -11.286 -8.812 -4.970 183 HG2 PRO 28 2HG PRO 28 -9.352 -10.622 -4.717 184 HG3 PRO 28 1HG PRO 28 -9.060 -9.091 -5.565 185 HD2 PRO 28 2HD PRO 28 -8.239 -9.923 -2.812 186 HD3 PRO 28 1HD PRO 28 -7.350 -8.965 -4.015 187 H LEU 29 H LEU 29 -10.360 -9.109 -1.255 188 HA LEU 29 HA LEU 29 -12.813 -7.862 -0.267 189 HB2 LEU 29 2HB LEU 29 -11.338 -10.314 0.691 190 HB3 LEU 29 1HB LEU 29 -12.854 -9.728 1.348 191 HG LEU 29 HG LEU 29 -12.467 -10.670 -1.495 192 HD11 LEU 29 1HD1 LEU 29 -13.731 -12.063 0.860 193 HD12 LEU 29 2HD1 LEU 29 -12.211 -12.505 0.084 194 HD13 LEU 29 3HD1 LEU 29 -13.728 -12.646 -0.804 195 HD21 LEU 29 3HD2 LEU 29 -14.910 -10.624 -1.583 196 HD22 LEU 29 1HD2 LEU 29 -14.251 -9.022 -1.250 197 HD23 LEU 29 2HD2 LEU 29 -14.960 -9.974 0.055 198 H ARG 30 H ARG 30 -10.853 -6.063 -0.074 199 HA ARG 30 HA ARG 30 -10.744 -5.480 2.682 200 HB2 ARG 30 2HB ARG 30 -8.914 -7.327 2.294 201 HB3 ARG 30 1HB ARG 30 -7.978 -5.983 1.651 202 HG2 ARG 30 2HG ARG 30 -7.542 -6.479 4.042 203 HG3 ARG 30 1HG ARG 30 -8.073 -4.825 3.736 204 HD2 ARG 30 2HD ARG 30 -9.131 -5.894 5.726 205 HD3 ARG 30 1HD ARG 30 -10.277 -5.313 4.519 206 HE ARG 30 HE ARG 30 -10.475 -7.658 3.770 207 HH11 ARG 30 1HH1 ARG 30 -9.260 -7.001 6.989 208 HH12 ARG 30 2HH1 ARG 30 -9.732 -8.540 7.625 209 HH21 ARG 30 1HH2 ARG 30 -11.103 -9.684 4.596 210 HH22 ARG 30 2HH2 ARG 30 -10.788 -10.078 6.254 211 H ALA 31 H ALA 31 -8.947 -5.021 -0.342 212 HA ALA 31 HA ALA 31 -8.333 -3.199 -1.525 213 HB1 ALA 31 1HB ALA 31 -10.732 -2.723 -1.495 214 HB2 ALA 31 2HB ALA 31 -9.772 -1.245 -1.497 215 HB3 ALA 31 3HB ALA 31 -10.528 -1.802 -0.005 216 H THR 32 H THR 32 -7.268 -3.657 1.306 217 HA THR 32 HA THR 32 -6.500 -0.989 2.132 218 HB THR 32 HB THR 32 -5.077 -2.358 3.802 219 HG1 THR 32 1HG THR 32 -5.110 -4.374 2.888 220 HG21 THR 32 3HG2 THR 32 -8.091 -2.588 3.837 221 HG22 THR 32 1HG2 THR 32 -7.151 -1.213 4.418 222 HG23 THR 32 2HG2 THR 32 -7.028 -2.772 5.233 223 H CYS 33 H CYS 33 -4.134 -0.579 2.577 224 HA CYS 33 HA CYS 33 -2.661 -1.018 0.163 225 HB2 CYS 33 2HB CYS 33 -1.815 0.245 2.764 226 HB3 CYS 33 1HB CYS 33 -0.865 0.257 1.291 227 H THR 34 H THR 34 -1.457 -2.645 -0.266 228 HA THR 34 HA THR 34 -0.218 -4.190 1.910 229 HB THR 34 HB THR 34 -1.099 -5.411 -0.701 230 HG1 THR 34 1HG THR 34 -3.063 -5.801 0.151 231 HG21 THR 34 3HG2 THR 34 -0.497 -6.595 2.013 232 HG22 THR 34 1HG2 THR 34 0.562 -6.651 0.604 233 HG23 THR 34 2HG2 THR 34 -0.985 -7.499 0.580 234 H CYS 35 H CYS 35 1.926 -4.406 1.738 235 HA CYS 35 HA CYS 35 3.221 -3.259 -0.596 236 HB2 CYS 35 2HB CYS 35 4.406 -4.208 2.015 237 HB3 CYS 35 1HB CYS 35 5.251 -3.305 0.762 238 H GLY 36 H GLY 36 5.160 -4.315 -1.489 239 HA2 GLY 36 2HA GLY 36 4.561 -6.916 -2.420 240 HA3 GLY 36 1HA GLY 36 6.070 -6.059 -2.666 241 H LYS 37 H LYS 37 6.060 -5.896 0.414 242 HA LYS 37 HA LYS 37 7.008 -8.628 0.929 243 HB2 LYS 37 2HB LYS 37 8.361 -6.014 1.555 244 HB3 LYS 37 1HB LYS 37 8.716 -7.468 2.481 245 HG2 LYS 37 2HG LYS 37 8.968 -7.299 -0.513 246 HG3 LYS 37 1HG LYS 37 10.298 -6.990 0.607 247 HD2 LYS 37 2HD LYS 37 10.524 -9.184 1.156 248 HD3 LYS 37 1HD LYS 37 8.799 -9.515 0.982 249 HE2 LYS 37 2HE LYS 37 10.435 -8.887 -1.436 250 HE3 LYS 37 1HE LYS 37 10.518 -10.500 -0.727 251 HZ1 LYS 37 3HZ LYS 37 8.168 -10.758 -1.023 252 HZ2 LYS 37 1HZ LYS 37 8.839 -10.290 -2.503 253 HZ3 LYS 37 2HZ LYS 37 7.993 -9.163 -1.561 254 H GLN 38 H GLN 38 4.460 -7.399 1.453 255 HA GLN 38 HA GLN 38 2.874 -7.268 3.055 256 HB2 GLN 38 2HB GLN 38 4.939 -8.841 4.599 257 HB3 GLN 38 1HB GLN 38 3.350 -8.458 5.248 258 HG2 GLN 38 2HG GLN 38 2.325 -9.640 3.340 259 HG3 GLN 38 1HG GLN 38 3.937 -10.084 2.783 260 HE21 GLN 38 1HE2 GLN 38 3.545 -12.272 2.982 261 HE22 GLN 38 2HE2 GLN 38 3.426 -13.062 4.512 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -11.528 2.311 1.775 2 H2 GLY 1 2HT GLY 1 -10.887 3.875 1.730 3 H3 GLY 1 3HT GLY 1 -10.923 3.021 3.185 4 HA2 GLY 1 1HA GLY 1 -9.390 1.373 2.253 5 HA3 GLY 1 2HA GLY 1 -9.300 2.359 0.797 6 H PHE 2 H PHE 2 -6.980 1.834 2.077 7 HA PHE 2 HA PHE 2 -6.401 3.984 3.930 8 HB2 PHE 2 2HB PHE 2 -5.437 1.621 4.077 9 HB3 PHE 2 1HB PHE 2 -4.394 2.078 2.734 10 HD1 PHE 2 2HD PHE 2 -5.151 2.609 6.272 11 HD2 PHE 2 1HD PHE 2 -2.599 3.665 3.034 12 HE1 PHE 2 2HE PHE 2 -3.567 3.625 7.858 13 HE2 PHE 2 1HE PHE 2 -1.013 4.684 4.614 14 HZ PHE 2 HZ PHE 2 -1.494 4.664 7.029 15 H GLY 3 H GLY 3 -4.822 2.911 0.910 16 HA2 GLY 3 2HA GLY 3 -4.104 5.726 0.431 17 HA3 GLY 3 1HA GLY 3 -3.241 4.339 -0.217 18 H CYS 4 H CYS 4 -4.103 3.218 -2.007 19 HA CYS 4 HA CYS 4 -5.538 4.889 -3.826 20 HB2 CYS 4 2HB CYS 4 -5.489 2.578 -5.141 21 HB3 CYS 4 1HB CYS 4 -4.041 3.567 -4.972 22 HA PRO 5 HA PRO 5 -6.678 4.133 -5.827 23 HB2 PRO 5 2HB PRO 5 -8.995 4.963 -6.882 24 HB3 PRO 5 1HB PRO 5 -8.546 3.256 -6.847 25 HG2 PRO 5 2HG PRO 5 -10.422 4.766 -5.082 26 HG3 PRO 5 1HG PRO 5 -10.579 3.130 -5.744 27 HD2 PRO 5 2HD PRO 5 -9.756 3.702 -3.179 28 HD3 PRO 5 1HD PRO 5 -9.373 2.203 -4.047 29 H PHE 6 H PHE 6 -7.873 5.679 -3.174 30 HA PHE 6 HA PHE 6 -8.439 8.278 -4.066 31 HB2 PHE 6 2HB PHE 6 -7.224 7.525 -1.400 32 HB3 PHE 6 1HB PHE 6 -8.157 8.971 -1.769 33 HD1 PHE 6 2HD PHE 6 -10.594 8.690 -2.413 34 HD2 PHE 6 1HD PHE 6 -8.275 5.572 -0.675 35 HE1 PHE 6 2HE PHE 6 -12.659 7.523 -1.756 36 HE2 PHE 6 1HE PHE 6 -10.335 4.400 -0.018 37 HZ PHE 6 HZ PHE 6 -12.530 5.376 -0.557 38 H ASN 7 H ASN 7 -5.463 7.296 -2.324 39 HA ASN 7 HA ASN 7 -3.959 8.929 -4.237 40 HB2 ASN 7 2HB ASN 7 -4.410 10.291 -2.175 41 HB3 ASN 7 1HB ASN 7 -3.454 9.122 -1.266 42 HD21 ASN 7 1HD2 ASN 7 -2.200 11.124 -0.806 43 HD22 ASN 7 2HD2 ASN 7 -0.946 11.546 -1.928 44 H GLU 8 H GLU 8 -2.664 7.604 -5.196 45 HA GLU 8 HA GLU 8 -1.737 5.157 -4.200 46 HB2 GLU 8 2HB GLU 8 -1.797 6.080 -6.642 47 HB3 GLU 8 1HB GLU 8 -0.216 6.741 -6.256 48 HG2 GLU 8 2HG GLU 8 -0.780 3.839 -5.812 49 HG3 GLU 8 1HG GLU 8 -0.408 4.437 -7.426 50 H ASN 9 H ASN 9 -0.390 8.400 -4.187 51 HA ASN 9 HA ASN 9 2.173 7.815 -3.234 52 HB2 ASN 9 2HB ASN 9 0.421 10.225 -3.240 53 HB3 ASN 9 1HB ASN 9 1.793 10.233 -2.139 54 HD21 ASN 9 1HD2 ASN 9 1.113 11.689 -4.695 55 HD22 ASN 9 2HD2 ASN 9 2.523 11.497 -5.674 56 H GLU 10 H GLU 10 -0.880 8.274 -1.493 57 HA GLU 10 HA GLU 10 0.261 8.265 1.106 58 HB2 GLU 10 2HB GLU 10 -2.392 8.311 -0.028 59 HB3 GLU 10 1HB GLU 10 -2.323 7.140 1.281 60 HG2 GLU 10 2HG GLU 10 -2.995 9.176 2.246 61 HG3 GLU 10 1HG GLU 10 -1.305 8.953 2.698 62 H CYS 11 H CYS 11 -1.193 5.745 -0.910 63 HA CYS 11 HA CYS 11 -0.789 3.622 0.932 64 HB2 CYS 11 2HB CYS 11 -2.290 3.612 -1.112 65 HB3 CYS 11 1HB CYS 11 -0.842 3.410 -2.087 66 H HIS 12 H HIS 12 1.101 4.845 -1.762 67 HA HIS 12 HA HIS 12 3.214 3.009 -1.688 68 HB2 HIS 12 2HB HIS 12 2.492 4.992 -3.351 69 HB3 HIS 12 1HB HIS 12 3.769 5.823 -2.469 70 HD1 HIS 12 1HD HIS 12 3.265 3.822 -5.371 71 HD2 HIS 12 2HD HIS 12 6.244 4.123 -2.481 72 HE1 HIS 12 1HE HIS 12 5.338 2.825 -6.409 73 HE2 HIS 12 2HE HIS 12 7.153 3.128 -4.689 74 H ALA 13 H ALA 13 2.908 6.253 -0.237 75 HA ALA 13 HA ALA 13 5.423 6.309 1.001 76 HB1 ALA 13 1HB ALA 13 4.527 8.090 2.404 77 HB2 ALA 13 2HB ALA 13 2.887 7.674 1.905 78 HB3 ALA 13 3HB ALA 13 4.035 8.309 0.725 79 H HIS 14 H HIS 14 2.265 5.168 2.158 80 HA HIS 14 HA HIS 14 2.923 4.554 4.782 81 HB2 HIS 14 2HB HIS 14 0.647 4.265 4.040 82 HB3 HIS 14 1HB HIS 14 1.126 3.059 2.858 83 HD1 HIS 14 1HD HIS 14 1.303 3.437 6.656 84 HD2 HIS 14 2HD HIS 14 0.727 0.534 3.736 85 HE1 HIS 14 1HE HIS 14 0.919 1.287 7.905 86 HE2 HIS 14 2HE HIS 14 0.719 -0.475 6.115 87 H CYS 15 H CYS 15 3.028 2.366 1.997 88 HA CYS 15 HA CYS 15 4.338 0.252 3.255 89 HB2 CYS 15 2HB CYS 15 4.016 1.121 0.431 90 HB3 CYS 15 1HB CYS 15 5.221 -0.119 0.771 91 H LEU 16 H LEU 16 5.655 3.090 1.706 92 HA LEU 16 HA LEU 16 8.377 2.344 1.777 93 HB2 LEU 16 2HB LEU 16 6.818 4.780 1.278 94 HB3 LEU 16 1HB LEU 16 8.408 5.078 1.953 95 HG LEU 16 HG LEU 16 9.502 4.111 0.094 96 HD11 LEU 16 1HD1 LEU 16 8.333 2.917 -1.686 97 HD12 LEU 16 2HD1 LEU 16 6.815 3.084 -0.803 98 HD13 LEU 16 3HD1 LEU 16 8.127 2.118 -0.128 99 HD21 LEU 16 3HD2 LEU 16 7.103 5.663 -0.867 100 HD22 LEU 16 1HD2 LEU 16 8.532 5.316 -1.841 101 HD23 LEU 16 2HD2 LEU 16 8.673 6.317 -0.395 102 H SER 17 H SER 17 6.220 3.670 4.162 103 HA SER 17 HA SER 17 8.247 4.608 5.944 104 HB2 SER 17 2HB SER 17 5.379 3.905 6.600 105 HB3 SER 17 1HB SER 17 6.453 4.952 7.527 106 HG SER 17 HG SER 17 5.901 5.546 4.832 107 H ILE 18 H ILE 18 7.041 1.491 5.190 108 HA ILE 18 HA ILE 18 7.974 0.495 7.793 109 HB ILE 18 HB ILE 18 6.941 -1.726 6.565 110 HG12 ILE 18 2HG1 ILE 18 5.159 0.620 5.868 111 HG13 ILE 18 1HG1 ILE 18 6.017 -0.395 4.715 112 HG21 ILE 18 1HG2 ILE 18 6.612 -1.031 8.879 113 HG22 ILE 18 2HG2 ILE 18 5.076 -1.462 8.124 114 HG23 ILE 18 3HG2 ILE 18 5.503 0.235 8.350 115 HD11 ILE 18 3HD1 ILE 18 4.686 -2.312 5.391 116 HD12 ILE 18 1HD1 ILE 18 3.657 -0.980 4.863 117 HD13 ILE 18 2HD1 ILE 18 3.846 -1.319 6.583 118 H GLY 19 H GLY 19 9.616 1.371 5.475 119 HA2 GLY 19 2HA GLY 19 11.794 0.719 4.948 120 HA3 GLY 19 1HA GLY 19 11.445 -0.883 5.571 121 H ARG 20 H ARG 20 8.952 -0.855 3.796 122 HA ARG 20 HA ARG 20 10.059 -2.340 1.674 123 HB2 ARG 20 2HB ARG 20 7.319 -1.167 2.114 124 HB3 ARG 20 1HB ARG 20 7.716 -2.100 0.679 125 HG2 ARG 20 2HG ARG 20 6.784 -3.699 2.041 126 HG3 ARG 20 1HG ARG 20 8.502 -3.900 2.382 127 HD2 ARG 20 2HD ARG 20 8.332 -2.825 4.454 128 HD3 ARG 20 1HD ARG 20 6.780 -2.095 4.048 129 HE ARG 20 HE ARG 20 6.000 -4.575 4.049 130 HH11 ARG 20 1HH1 ARG 20 8.365 -3.146 6.232 131 HH12 ARG 20 2HH1 ARG 20 8.002 -4.242 7.526 132 HH21 ARG 20 1HH2 ARG 20 5.512 -5.987 5.753 133 HH22 ARG 20 2HH2 ARG 20 6.385 -5.859 7.254 134 H LYS 21 H LYS 21 9.757 -1.853 -0.669 135 HA LYS 21 HA LYS 21 10.488 0.941 -1.153 136 HB2 LYS 21 2HB LYS 21 11.827 -1.340 -1.847 137 HB3 LYS 21 1HB LYS 21 10.962 -0.961 -3.331 138 HG2 LYS 21 2HG LYS 21 13.324 -0.017 -3.019 139 HG3 LYS 21 1HG LYS 21 12.062 1.067 -3.605 140 HD2 LYS 21 2HD LYS 21 13.408 2.172 -1.906 141 HD3 LYS 21 1HD LYS 21 11.761 1.932 -1.323 142 HE2 LYS 21 2HE LYS 21 12.975 -0.345 -0.458 143 HE3 LYS 21 1HE LYS 21 14.298 0.815 -0.348 144 HZ1 LYS 21 3HZ LYS 21 12.947 2.220 1.041 145 HZ2 LYS 21 1HZ LYS 21 12.974 0.663 1.705 146 HZ3 LYS 21 2HZ LYS 21 11.608 1.200 0.863 147 H PHE 22 H PHE 22 8.183 -1.466 -1.923 148 HA PHE 22 HA PHE 22 6.623 0.506 -3.381 149 HB2 PHE 22 2HB PHE 22 6.920 -2.277 -4.506 150 HB3 PHE 22 1HB PHE 22 6.081 -0.917 -5.224 151 HD1 PHE 22 2HD PHE 22 7.400 1.023 -6.085 152 HD2 PHE 22 1HD PHE 22 9.219 -2.642 -4.910 153 HE1 PHE 22 2HE PHE 22 9.417 1.621 -7.359 154 HE2 PHE 22 1HE PHE 22 11.240 -2.050 -6.185 155 HZ PHE 22 HZ PHE 22 11.341 0.084 -7.411 156 H GLY 23 H GLY 23 4.386 -0.271 -3.694 157 HA2 GLY 23 2HA GLY 23 3.201 -2.454 -2.546 158 HA3 GLY 23 1HA GLY 23 3.397 -1.314 -1.221 159 H PHE 24 H PHE 24 0.996 -2.376 -2.638 160 HA PHE 24 HA PHE 24 -0.363 0.166 -2.899 161 HB2 PHE 24 2HB PHE 24 -1.381 -0.410 -5.088 162 HB3 PHE 24 1HB PHE 24 0.355 -0.160 -5.200 163 HD1 PHE 24 2HD PHE 24 1.867 -2.093 -5.503 164 HD2 PHE 24 1HD PHE 24 -2.368 -2.514 -5.591 165 HE1 PHE 24 2HE PHE 24 2.111 -4.289 -6.584 166 HE2 PHE 24 1HE PHE 24 -2.131 -4.710 -6.673 167 HZ PHE 24 HZ PHE 24 0.111 -5.600 -7.171 168 H CYS 25 H CYS 25 -2.793 -0.327 -3.351 169 HA CYS 25 HA CYS 25 -3.647 -2.038 -1.265 170 HB2 CYS 25 2HB CYS 25 -5.959 -1.547 -2.359 171 HB3 CYS 25 1HB CYS 25 -5.066 -0.232 -1.604 172 H ALA 26 H ALA 26 -3.917 -4.139 -1.284 173 HA ALA 26 HA ALA 26 -4.774 -5.461 -3.756 174 HB1 ALA 26 1HB ALA 26 -3.139 -7.249 -3.449 175 HB2 ALA 26 2HB ALA 26 -2.465 -6.404 -2.056 176 HB3 ALA 26 3HB ALA 26 -2.340 -5.692 -3.665 177 H GLY 27 H GLY 27 -5.098 -7.939 -3.118 178 HA2 GLY 27 2HA GLY 27 -6.099 -9.513 -1.737 179 HA3 GLY 27 1HA GLY 27 -6.102 -8.329 -0.437 180 HA PRO 28 HA PRO 28 -10.496 -8.454 -1.420 181 HB2 PRO 28 2HB PRO 28 -11.321 -7.187 0.823 182 HB3 PRO 28 1HB PRO 28 -10.852 -8.890 0.818 183 HG2 PRO 28 2HG PRO 28 -9.276 -6.492 1.668 184 HG3 PRO 28 1HG PRO 28 -9.406 -8.080 2.447 185 HD2 PRO 28 2HD PRO 28 -7.294 -7.356 0.891 186 HD3 PRO 28 1HD PRO 28 -7.856 -9.033 1.044 187 H LEU 29 H LEU 29 -12.160 -6.801 -1.734 188 HA LEU 29 HA LEU 29 -11.065 -4.415 -2.887 189 HB2 LEU 29 2HB LEU 29 -13.033 -5.788 -3.759 190 HB3 LEU 29 1HB LEU 29 -13.986 -5.029 -2.499 191 HG LEU 29 HG LEU 29 -13.500 -2.815 -3.475 192 HD11 LEU 29 1HD1 LEU 29 -12.160 -4.390 -5.670 193 HD12 LEU 29 2HD1 LEU 29 -11.346 -3.349 -4.502 194 HD13 LEU 29 3HD1 LEU 29 -12.466 -2.653 -5.674 195 HD21 LEU 29 3HD2 LEU 29 -14.900 -3.065 -5.463 196 HD22 LEU 29 1HD2 LEU 29 -15.529 -4.005 -4.111 197 HD23 LEU 29 2HD2 LEU 29 -14.659 -4.811 -5.416 198 H ARG 30 H ARG 30 -10.310 -4.188 -0.402 199 HA ARG 30 HA ARG 30 -12.126 -2.188 0.785 200 HB2 ARG 30 2HB ARG 30 -10.251 -4.111 2.180 201 HB3 ARG 30 1HB ARG 30 -11.070 -2.779 2.984 202 HG2 ARG 30 2HG ARG 30 -13.232 -3.764 2.435 203 HG3 ARG 30 1HG ARG 30 -12.418 -5.094 1.609 204 HD2 ARG 30 2HD ARG 30 -11.320 -5.705 3.727 205 HD3 ARG 30 1HD ARG 30 -12.199 -4.410 4.538 206 HE ARG 30 HE ARG 30 -14.174 -5.865 3.409 207 HH11 ARG 30 1HH1 ARG 30 -11.471 -6.708 5.461 208 HH12 ARG 30 2HH1 ARG 30 -12.275 -8.054 6.197 209 HH21 ARG 30 1HH2 ARG 30 -15.251 -7.642 4.376 210 HH22 ARG 30 2HH2 ARG 30 -14.435 -8.586 5.578 211 H ALA 31 H ALA 31 -9.510 -2.526 -0.986 212 HA ALA 31 HA ALA 31 -7.705 -1.283 -1.522 213 HB1 ALA 31 1HB ALA 31 -9.291 0.574 -1.453 214 HB2 ALA 31 2HB ALA 31 -7.687 1.075 -0.919 215 HB3 ALA 31 3HB ALA 31 -8.963 0.793 0.266 216 H THR 32 H THR 32 -7.346 -3.157 0.409 217 HA THR 32 HA THR 32 -5.900 -2.108 2.659 218 HB THR 32 HB THR 32 -5.221 -4.763 2.481 219 HG1 THR 32 1HG THR 32 -6.468 -5.302 0.754 220 HG21 THR 32 3HG2 THR 32 -6.164 -3.648 4.446 221 HG22 THR 32 1HG2 THR 32 -7.027 -5.146 4.101 222 HG23 THR 32 2HG2 THR 32 -7.744 -3.595 3.666 223 H CYS 33 H CYS 33 -4.007 -1.096 2.197 224 HA CYS 33 HA CYS 33 -2.410 -1.629 -0.039 225 HB2 CYS 33 2HB CYS 33 -1.692 -0.312 2.567 226 HB3 CYS 33 1HB CYS 33 -0.619 -0.377 1.186 227 H THR 34 H THR 34 -1.108 -3.122 -0.500 228 HA THR 34 HA THR 34 0.182 -4.729 1.606 229 HB THR 34 HB THR 34 -0.455 -5.869 -1.100 230 HG1 THR 34 1HG THR 34 -2.315 -5.024 0.555 231 HG21 THR 34 3HG2 THR 34 -0.439 -7.984 0.151 232 HG22 THR 34 1HG2 THR 34 -0.130 -7.094 1.642 233 HG23 THR 34 2HG2 THR 34 1.074 -7.101 0.353 234 H CYS 35 H CYS 35 2.342 -4.641 1.485 235 HA CYS 35 HA CYS 35 3.538 -3.276 -0.769 236 HB2 CYS 35 2HB CYS 35 5.040 -4.331 1.602 237 HB3 CYS 35 1HB CYS 35 5.408 -2.938 0.590 238 H GLY 36 H GLY 36 5.726 -4.124 -1.526 239 HA2 GLY 36 2HA GLY 36 5.422 -6.456 -2.966 240 HA3 GLY 36 1HA GLY 36 6.977 -5.738 -2.582 241 H LYS 37 H LYS 37 7.152 -6.107 0.120 242 HA LYS 37 HA LYS 37 7.168 -9.040 0.334 243 HB2 LYS 37 2HB LYS 37 8.972 -6.992 1.638 244 HB3 LYS 37 1HB LYS 37 9.001 -8.710 2.002 245 HG2 LYS 37 2HG LYS 37 9.424 -9.019 -0.518 246 HG3 LYS 37 1HG LYS 37 9.835 -7.302 -0.502 247 HD2 LYS 37 2HD LYS 37 11.116 -9.452 1.188 248 HD3 LYS 37 1HD LYS 37 11.827 -8.692 -0.236 249 HE2 LYS 37 2HE LYS 37 11.868 -6.549 0.882 250 HE3 LYS 37 1HE LYS 37 11.035 -7.229 2.280 251 HZ1 LYS 37 3HZ LYS 37 12.943 -8.674 2.659 252 HZ2 LYS 37 1HZ LYS 37 13.403 -7.045 2.685 253 HZ3 LYS 37 2HZ LYS 37 13.744 -7.998 1.330 254 H GLN 38 H GLN 38 4.842 -7.761 0.871 255 HA GLN 38 HA GLN 38 3.189 -7.521 2.393 256 HB2 GLN 38 2HB GLN 38 5.030 -9.289 4.012 257 HB3 GLN 38 1HB GLN 38 3.408 -8.846 4.528 258 HG2 GLN 38 2HG GLN 38 2.521 -9.881 2.459 259 HG3 GLN 38 1HG GLN 38 4.154 -10.417 2.072 260 HE21 GLN 38 1HE2 GLN 38 1.706 -11.946 2.599 261 HE22 GLN 38 2HE2 GLN 38 2.094 -13.018 3.895 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -8.616 2.097 -3.232 2 H2 GLY 1 2HT GLY 1 -10.197 1.839 -2.685 3 H3 GLY 1 3HT GLY 1 -9.431 0.664 -3.631 4 HA2 GLY 1 1HA GLY 1 -9.446 -0.037 -1.337 5 HA3 GLY 1 2HA GLY 1 -7.800 0.297 -1.866 6 H PHE 2 H PHE 2 -7.173 0.665 0.322 7 HA PHE 2 HA PHE 2 -8.340 2.464 2.088 8 HB2 PHE 2 2HB PHE 2 -6.516 0.894 2.682 9 HB3 PHE 2 1HB PHE 2 -5.386 1.875 1.755 10 HD1 PHE 2 1HD PHE 2 -7.743 2.051 4.624 11 HD2 PHE 2 2HD PHE 2 -4.228 3.595 2.787 12 HE1 PHE 2 1HE PHE 2 -7.301 3.415 6.623 13 HE2 PHE 2 2HE PHE 2 -3.781 4.962 4.782 14 HZ PHE 2 HZ PHE 2 -5.318 4.873 6.705 15 H GLY 3 H GLY 3 -5.532 3.095 -0.014 16 HA2 GLY 3 2HA GLY 3 -6.320 5.941 -0.031 17 HA3 GLY 3 1HA GLY 3 -4.655 5.380 -0.150 18 H CYS 4 H CYS 4 -4.674 3.475 -1.970 19 HA CYS 4 HA CYS 4 -4.630 4.716 -4.425 20 HB2 CYS 4 2HB CYS 4 -5.226 1.816 -4.396 21 HB3 CYS 4 1HB CYS 4 -3.903 2.690 -5.167 22 HA PRO 5 HA PRO 5 -4.805 4.506 -6.419 23 HB2 PRO 5 2HB PRO 5 -5.854 5.679 -8.568 24 HB3 PRO 5 1HB PRO 5 -5.959 3.931 -8.338 25 HG2 PRO 5 2HG PRO 5 -8.043 6.026 -7.938 26 HG3 PRO 5 1HG PRO 5 -8.213 4.380 -8.569 27 HD2 PRO 5 2HD PRO 5 -8.768 5.201 -5.953 28 HD3 PRO 5 1HD PRO 5 -8.550 3.525 -6.493 29 H PHE 6 H PHE 6 -7.145 6.611 -5.106 30 HA PHE 6 HA PHE 6 -6.211 9.110 -6.009 31 HB2 PHE 6 2HB PHE 6 -7.595 8.415 -3.410 32 HB3 PHE 6 1HB PHE 6 -7.397 10.042 -4.050 33 HD1 PHE 6 1HD PHE 6 -8.503 10.628 -6.228 34 HD2 PHE 6 2HD PHE 6 -9.368 7.046 -4.099 35 HE1 PHE 6 1HE PHE 6 -10.604 10.392 -7.487 36 HE2 PHE 6 2HE PHE 6 -11.469 6.802 -5.355 37 HZ PHE 6 HZ PHE 6 -12.089 8.476 -7.051 38 H ASN 7 H ASN 7 -5.737 7.666 -2.792 39 HA ASN 7 HA ASN 7 -3.310 9.274 -2.485 40 HB2 ASN 7 2HB ASN 7 -5.089 7.798 -0.556 41 HB3 ASN 7 1HB ASN 7 -3.462 8.278 -0.087 42 HD21 ASN 7 1HD2 ASN 7 -4.268 9.649 1.505 43 HD22 ASN 7 2HD2 ASN 7 -4.998 11.170 1.102 44 H GLU 8 H GLU 8 -3.062 7.296 -4.341 45 HA GLU 8 HA GLU 8 -2.148 4.817 -3.372 46 HB2 GLU 8 2HB GLU 8 -2.756 5.499 -5.777 47 HB3 GLU 8 1HB GLU 8 -1.116 6.123 -5.882 48 HG2 GLU 8 2HG GLU 8 -0.196 4.074 -5.996 49 HG3 GLU 8 1HG GLU 8 -1.371 3.366 -4.888 50 H ASN 9 H ASN 9 -0.449 7.819 -4.132 51 HA ASN 9 HA ASN 9 2.154 6.879 -3.587 52 HB2 ASN 9 2HB ASN 9 0.885 9.557 -3.870 53 HB3 ASN 9 1HB ASN 9 2.443 9.487 -3.052 54 HD21 ASN 9 1HD2 ASN 9 1.728 10.668 -5.626 55 HD22 ASN 9 2HD2 ASN 9 2.748 9.905 -6.793 56 H GLU 10 H GLU 10 -0.386 8.134 -1.526 57 HA GLU 10 HA GLU 10 1.234 8.496 0.792 58 HB2 GLU 10 2HB GLU 10 -0.920 9.628 0.564 59 HB3 GLU 10 1HB GLU 10 -1.750 8.080 0.502 60 HG2 GLU 10 2HG GLU 10 -0.943 7.627 2.808 61 HG3 GLU 10 1HG GLU 10 -0.291 9.265 2.848 62 H CYS 11 H CYS 11 -0.866 5.912 -0.381 63 HA CYS 11 HA CYS 11 -0.508 4.139 1.773 64 HB2 CYS 11 2HB CYS 11 -2.274 3.853 0.102 65 HB3 CYS 11 1HB CYS 11 -1.072 3.593 -1.155 66 H HIS 12 H HIS 12 1.236 4.571 -1.266 67 HA HIS 12 HA HIS 12 3.113 2.502 -0.898 68 HB2 HIS 12 2HB HIS 12 2.609 3.807 -3.041 69 HB3 HIS 12 1HB HIS 12 3.632 5.082 -2.390 70 HD1 HIS 12 1HD HIS 12 3.820 2.360 -4.623 71 HD2 HIS 12 2HD HIS 12 6.320 3.829 -1.653 72 HE1 HIS 12 1HE HIS 12 6.106 1.436 -5.142 73 HE2 HIS 12 2HE HIS 12 7.557 2.183 -3.219 74 H ALA 13 H ALA 13 3.131 5.947 -0.060 75 HA ALA 13 HA ALA 13 5.732 6.057 1.010 76 HB1 ALA 13 1HB ALA 13 5.006 8.111 2.116 77 HB2 ALA 13 2HB ALA 13 3.324 7.718 1.760 78 HB3 ALA 13 3HB ALA 13 4.446 8.065 0.445 79 H HIS 14 H HIS 14 2.592 5.285 2.429 80 HA HIS 14 HA HIS 14 3.326 5.073 5.101 81 HB2 HIS 14 2HB HIS 14 0.996 4.849 4.381 82 HB3 HIS 14 1HB HIS 14 1.370 3.337 3.572 83 HD1 HIS 14 1HD HIS 14 1.956 4.609 7.127 84 HD2 HIS 14 2HD HIS 14 0.502 1.286 5.092 85 HE1 HIS 14 1HE HIS 14 1.375 2.926 8.906 86 HE2 HIS 14 2HE HIS 14 0.601 0.887 7.644 87 H CYS 15 H CYS 15 3.208 2.474 2.671 88 HA CYS 15 HA CYS 15 4.428 0.493 4.212 89 HB2 CYS 15 2HB CYS 15 4.050 0.945 1.318 90 HB3 CYS 15 1HB CYS 15 5.364 -0.148 1.738 91 H LEU 16 H LEU 16 5.867 3.002 2.244 92 HA LEU 16 HA LEU 16 8.559 2.257 2.427 93 HB2 LEU 16 2HB LEU 16 7.130 4.856 2.030 94 HB3 LEU 16 1HB LEU 16 8.863 4.852 2.261 95 HG LEU 16 HG LEU 16 7.505 3.258 0.092 96 HD11 LEU 16 1HD1 LEU 16 6.966 5.604 -0.233 97 HD12 LEU 16 2HD1 LEU 16 8.137 5.065 -1.437 98 HD13 LEU 16 3HD1 LEU 16 8.668 6.035 -0.063 99 HD21 LEU 16 3HD2 LEU 16 9.774 2.557 0.708 100 HD22 LEU 16 1HD2 LEU 16 10.351 4.199 0.423 101 HD23 LEU 16 2HD2 LEU 16 9.715 3.242 -0.916 102 H SER 17 H SER 17 6.471 3.985 4.640 103 HA SER 17 HA SER 17 8.485 5.017 6.344 104 HB2 SER 17 2HB SER 17 5.639 4.398 7.139 105 HB3 SER 17 1HB SER 17 6.716 5.609 7.835 106 HG SER 17 HG SER 17 6.291 5.859 5.118 107 H ILE 18 H ILE 18 7.200 1.812 6.038 108 HA ILE 18 HA ILE 18 8.126 1.200 8.757 109 HB ILE 18 HB ILE 18 7.139 -1.181 7.899 110 HG12 ILE 18 2HG1 ILE 18 5.306 0.932 6.746 111 HG13 ILE 18 1HG1 ILE 18 6.336 -0.123 5.783 112 HG21 ILE 18 1HG2 ILE 18 5.520 1.024 9.173 113 HG22 ILE 18 2HG2 ILE 18 6.692 0.009 10.018 114 HG23 ILE 18 3HG2 ILE 18 5.242 -0.713 9.319 115 HD11 ILE 18 3HD1 ILE 18 4.045 -0.918 5.825 116 HD12 ILE 18 1HD1 ILE 18 4.096 -1.010 7.585 117 HD13 ILE 18 2HD1 ILE 18 5.125 -2.067 6.617 118 H GLY 19 H GLY 19 9.561 1.511 5.955 119 HA2 GLY 19 2HA GLY 19 11.815 0.815 5.644 120 HA3 GLY 19 1HA GLY 19 11.463 -0.644 6.555 121 H ARG 20 H ARG 20 8.967 -0.080 4.428 122 HA ARG 20 HA ARG 20 9.923 -2.201 2.680 123 HB2 ARG 20 2HB ARG 20 7.266 -0.807 2.440 124 HB3 ARG 20 1HB ARG 20 7.694 -2.441 1.953 125 HG2 ARG 20 2HG ARG 20 7.739 -1.630 4.835 126 HG3 ARG 20 1HG ARG 20 6.240 -2.111 4.043 127 HD2 ARG 20 2HD ARG 20 7.056 -4.068 5.048 128 HD3 ARG 20 1HD ARG 20 7.472 -4.222 3.342 129 HE ARG 20 HE ARG 20 9.708 -4.084 3.881 130 HH11 ARG 20 1HH1 ARG 20 7.739 -3.309 6.665 131 HH12 ARG 20 2HH1 ARG 20 9.072 -3.271 7.769 132 HH21 ARG 20 1HH2 ARG 20 11.471 -4.077 5.331 133 HH22 ARG 20 2HH2 ARG 20 11.207 -3.736 7.010 134 H LYS 21 H LYS 21 9.774 -1.983 0.326 135 HA LYS 21 HA LYS 21 10.555 0.737 -0.477 136 HB2 LYS 21 2HB LYS 21 11.071 -1.946 -1.752 137 HB3 LYS 21 1HB LYS 21 11.484 -0.416 -2.516 138 HG2 LYS 21 2HG LYS 21 13.299 -0.126 -1.242 139 HG3 LYS 21 1HG LYS 21 12.493 -0.707 0.216 140 HD2 LYS 21 2HD LYS 21 13.476 -2.496 -2.004 141 HD3 LYS 21 1HD LYS 21 14.400 -2.131 -0.545 142 HE2 LYS 21 2HE LYS 21 11.701 -3.479 -0.668 143 HE3 LYS 21 1HE LYS 21 13.243 -4.262 -0.322 144 HZ1 LYS 21 3HZ LYS 21 12.158 -2.069 1.350 145 HZ2 LYS 21 1HZ LYS 21 13.411 -3.140 1.726 146 HZ3 LYS 21 2HZ LYS 21 11.811 -3.698 1.655 147 H PHE 22 H PHE 22 8.312 -1.806 -1.136 148 HA PHE 22 HA PHE 22 6.880 0.001 -2.964 149 HB2 PHE 22 2HB PHE 22 6.673 -2.974 -3.269 150 HB3 PHE 22 1HB PHE 22 6.332 -1.715 -4.443 151 HD1 PHE 22 1HD PHE 22 8.247 -0.476 -5.494 152 HD2 PHE 22 2HD PHE 22 8.790 -3.993 -3.160 153 HE1 PHE 22 1HE PHE 22 10.476 -0.788 -6.490 154 HE2 PHE 22 2HE PHE 22 11.019 -4.311 -4.150 155 HZ PHE 22 HZ PHE 22 11.865 -2.708 -5.818 156 H GLY 23 H GLY 23 4.549 -0.501 -3.092 157 HA2 GLY 23 2HA GLY 23 3.111 -2.141 -1.451 158 HA3 GLY 23 1HA GLY 23 3.478 -0.740 -0.452 159 H PHE 24 H PHE 24 0.961 -1.828 -1.569 160 HA PHE 24 HA PHE 24 -0.220 0.678 -2.263 161 HB2 PHE 24 2HB PHE 24 -1.232 -0.104 -4.403 162 HB3 PHE 24 1HB PHE 24 0.510 0.128 -4.501 163 HD1 PHE 24 2HD PHE 24 2.016 -1.795 -4.679 164 HD2 PHE 24 1HD PHE 24 -2.212 -2.283 -4.632 165 HE1 PHE 24 2HE PHE 24 2.274 -4.086 -5.537 166 HE2 PHE 24 1HE PHE 24 -1.960 -4.575 -5.491 167 HZ PHE 24 HZ PHE 24 0.285 -5.479 -5.944 168 H CYS 25 H CYS 25 -2.666 -0.021 -3.028 169 HA CYS 25 HA CYS 25 -3.605 -1.448 -0.705 170 HB2 CYS 25 2HB CYS 25 -5.274 -0.320 -2.955 171 HB3 CYS 25 1HB CYS 25 -5.782 -0.662 -1.303 172 H ALA 26 H ALA 26 -3.844 -3.543 -0.662 173 HA ALA 26 HA ALA 26 -4.846 -4.913 -3.070 174 HB1 ALA 26 1HB ALA 26 -3.365 -6.805 -2.632 175 HB2 ALA 26 2HB ALA 26 -2.652 -5.941 -1.270 176 HB3 ALA 26 3HB ALA 26 -2.439 -5.329 -2.910 177 H GLY 27 H GLY 27 -6.327 -6.535 -2.692 178 HA2 GLY 27 2HA GLY 27 -6.957 -8.176 -0.777 179 HA3 GLY 27 1HA GLY 27 -7.335 -6.678 0.060 180 HA PRO 28 HA PRO 28 -10.875 -8.095 -2.795 181 HB2 PRO 28 2HB PRO 28 -12.368 -9.635 -1.153 182 HB3 PRO 28 1HB PRO 28 -11.070 -10.297 -2.154 183 HG2 PRO 28 2HG PRO 28 -11.072 -9.637 0.758 184 HG3 PRO 28 1HG PRO 28 -10.335 -11.013 -0.080 185 HD2 PRO 28 2HD PRO 28 -8.952 -8.786 0.744 186 HD3 PRO 28 1HD PRO 28 -8.443 -9.838 -0.591 187 H LEU 29 H LEU 29 -12.051 -6.312 -2.892 188 HA LEU 29 HA LEU 29 -13.573 -4.702 -2.431 189 HB2 LEU 29 2HB LEU 29 -14.092 -6.275 0.096 190 HB3 LEU 29 1HB LEU 29 -15.066 -4.933 -0.476 191 HG LEU 29 HG LEU 29 -14.688 -7.515 -1.995 192 HD11 LEU 29 1HD1 LEU 29 -16.960 -8.062 -1.279 193 HD12 LEU 29 2HD1 LEU 29 -16.991 -6.616 -0.269 194 HD13 LEU 29 3HD1 LEU 29 -15.865 -7.924 0.097 195 HD21 LEU 29 3HD2 LEU 29 -16.606 -5.218 -2.376 196 HD22 LEU 29 1HD2 LEU 29 -16.587 -6.714 -3.310 197 HD23 LEU 29 2HD2 LEU 29 -15.225 -5.599 -3.404 198 H ARG 30 H ARG 30 -12.435 -5.449 0.858 199 HA ARG 30 HA ARG 30 -11.809 -2.639 1.263 200 HB2 ARG 30 2HB ARG 30 -11.747 -5.042 3.092 201 HB3 ARG 30 1HB ARG 30 -11.201 -3.447 3.591 202 HG2 ARG 30 2HG ARG 30 -13.470 -2.576 3.033 203 HG3 ARG 30 1HG ARG 30 -13.978 -4.243 2.757 204 HD2 ARG 30 2HD ARG 30 -13.464 -4.822 5.042 205 HD3 ARG 30 1HD ARG 30 -12.806 -3.214 5.335 206 HE ARG 30 HE ARG 30 -15.638 -3.591 4.624 207 HH11 ARG 30 1HH1 ARG 30 -13.168 -2.390 6.787 208 HH12 ARG 30 2HH1 ARG 30 -14.278 -1.518 7.791 209 HH21 ARG 30 1HH2 ARG 30 -17.122 -2.440 5.945 210 HH22 ARG 30 2HH2 ARG 30 -16.537 -1.548 7.310 211 H ALA 31 H ALA 31 -10.210 -3.003 -0.554 212 HA ALA 31 HA ALA 31 -7.815 -4.426 -0.129 213 HB1 ALA 31 1HB ALA 31 -6.952 -3.176 -2.030 214 HB2 ALA 31 2HB ALA 31 -8.307 -2.051 -1.922 215 HB3 ALA 31 3HB ALA 31 -8.594 -3.740 -2.345 216 H THR 32 H THR 32 -6.919 -3.974 1.840 217 HA THR 32 HA THR 32 -6.323 -1.272 2.649 218 HB THR 32 HB THR 32 -6.858 -3.110 4.283 219 HG1 THR 32 1HG THR 32 -5.071 -2.501 5.717 220 HG21 THR 32 3HG2 THR 32 -5.599 -4.924 3.244 221 HG22 THR 32 1HG2 THR 32 -5.063 -4.667 4.905 222 HG23 THR 32 2HG2 THR 32 -4.087 -4.071 3.563 223 H CYS 33 H CYS 33 -3.865 -0.998 3.443 224 HA CYS 33 HA CYS 33 -2.366 -1.176 1.002 225 HB2 CYS 33 2HB CYS 33 -1.641 -0.088 3.707 226 HB3 CYS 33 1HB CYS 33 -0.518 -0.122 2.366 227 H THR 34 H THR 34 -1.171 -2.666 0.395 228 HA THR 34 HA THR 34 0.114 -4.482 2.328 229 HB THR 34 HB THR 34 -0.647 -5.375 -0.436 230 HG1 THR 34 1HG THR 34 -2.412 -4.606 1.350 231 HG21 THR 34 3HG2 THR 34 0.892 -6.765 0.860 232 HG22 THR 34 1HG2 THR 34 -0.652 -7.586 0.630 233 HG23 THR 34 2HG2 THR 34 -0.274 -6.836 2.181 234 H CYS 35 H CYS 35 2.255 -4.411 2.182 235 HA CYS 35 HA CYS 35 3.546 -2.819 0.228 236 HB2 CYS 35 2HB CYS 35 4.764 -4.749 2.206 237 HB3 CYS 35 1HB CYS 35 5.611 -3.464 1.346 238 H GLY 36 H GLY 36 4.746 -3.374 -1.531 239 HA2 GLY 36 2HA GLY 36 3.944 -5.661 -2.972 240 HA3 GLY 36 1HA GLY 36 5.219 -4.551 -3.436 241 H LYS 37 H LYS 37 7.326 -4.879 -2.191 242 HA LYS 37 HA LYS 37 7.756 -7.752 -1.744 243 HB2 LYS 37 2HB LYS 37 9.441 -5.829 -3.343 244 HB3 LYS 37 1HB LYS 37 10.076 -7.352 -2.736 245 HG2 LYS 37 2HG LYS 37 7.756 -7.020 -4.628 246 HG3 LYS 37 1HG LYS 37 9.379 -7.575 -5.044 247 HD2 LYS 37 2HD LYS 37 9.111 -9.565 -3.754 248 HD3 LYS 37 1HD LYS 37 7.605 -8.974 -3.050 249 HE2 LYS 37 2HE LYS 37 7.093 -10.596 -4.751 250 HE3 LYS 37 1HE LYS 37 6.591 -9.001 -5.307 251 HZ1 LYS 37 3HZ LYS 37 7.713 -10.237 -7.053 252 HZ2 LYS 37 1HZ LYS 37 9.097 -10.392 -6.090 253 HZ3 LYS 37 2HZ LYS 37 8.607 -8.865 -6.629 254 H GLN 38 H GLN 38 7.169 -5.994 0.248 255 HA GLN 38 HA GLN 38 7.818 -5.214 2.265 256 HB2 GLN 38 2HB GLN 38 9.948 -7.296 1.781 257 HB3 GLN 38 1HB GLN 38 9.767 -6.445 3.310 258 HG2 GLN 38 2HG GLN 38 7.590 -8.074 2.021 259 HG3 GLN 38 1HG GLN 38 8.704 -8.695 3.237 260 HE21 GLN 38 1HE2 GLN 38 8.482 -8.059 5.357 261 HE22 GLN 38 2HE2 GLN 38 7.090 -7.220 5.940 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -9.990 1.174 -2.907 2 H2 GLY 1 2HT GLY 1 -8.757 2.290 -2.580 3 H3 GLY 1 3HT GLY 1 -10.258 2.439 -1.814 4 HA2 GLY 1 1HA GLY 1 -9.894 0.304 -0.691 5 HA3 GLY 1 2HA GLY 1 -8.292 0.259 -1.418 6 H PHE 2 H PHE 2 -7.337 0.246 0.661 7 HA PHE 2 HA PHE 2 -7.806 2.187 2.644 8 HB2 PHE 2 2HB PHE 2 -6.620 0.030 3.016 9 HB3 PHE 2 1HB PHE 2 -5.251 0.653 2.103 10 HD1 PHE 2 1HD PHE 2 -7.338 1.386 5.095 11 HD2 PHE 2 2HD PHE 2 -3.544 1.765 3.201 12 HE1 PHE 2 1HE PHE 2 -6.406 2.341 7.162 13 HE2 PHE 2 2HE PHE 2 -2.605 2.721 5.265 14 HZ PHE 2 HZ PHE 2 -4.036 3.009 7.248 15 H GLY 3 H GLY 3 -5.245 1.986 0.182 16 HA2 GLY 3 2HA GLY 3 -4.577 4.789 0.712 17 HA3 GLY 3 1HA GLY 3 -3.585 3.649 -0.186 18 H CYS 4 H CYS 4 -4.325 3.002 -2.317 19 HA CYS 4 HA CYS 4 -5.068 5.203 -3.902 20 HB2 CYS 4 2HB CYS 4 -5.548 2.851 -5.379 21 HB3 CYS 4 1HB CYS 4 -4.094 3.845 -5.392 22 HA PRO 5 HA PRO 5 -5.877 5.855 -5.509 23 HB2 PRO 5 2HB PRO 5 -7.872 7.332 -6.678 24 HB3 PRO 5 1HB PRO 5 -7.294 5.783 -7.291 25 HG2 PRO 5 2HG PRO 5 -9.863 6.405 -6.167 26 HG3 PRO 5 1HG PRO 5 -9.300 4.858 -6.813 27 HD2 PRO 5 2HD PRO 5 -9.461 5.781 -4.011 28 HD3 PRO 5 1HD PRO 5 -9.433 4.127 -4.658 29 H PHE 6 H PHE 6 -7.685 6.562 -2.867 30 HA PHE 6 HA PHE 6 -7.866 9.387 -2.936 31 HB2 PHE 6 2HB PHE 6 -7.715 7.620 -0.486 32 HB3 PHE 6 1HB PHE 6 -8.378 9.248 -0.575 33 HD1 PHE 6 2HD PHE 6 -10.412 9.605 -2.092 34 HD2 PHE 6 1HD PHE 6 -9.083 5.774 -0.800 35 HE1 PHE 6 2HE PHE 6 -12.635 8.673 -2.581 36 HE2 PHE 6 1HE PHE 6 -11.303 4.834 -1.288 37 HZ PHE 6 HZ PHE 6 -13.084 6.285 -2.180 38 H ASN 7 H ASN 7 -5.677 7.299 -1.051 39 HA ASN 7 HA ASN 7 -3.619 9.391 -1.296 40 HB2 ASN 7 2HB ASN 7 -4.465 7.897 1.187 41 HB3 ASN 7 1HB ASN 7 -2.879 8.644 1.050 42 HD21 ASN 7 1HD2 ASN 7 -4.123 10.837 -0.618 43 HD22 ASN 7 2HD2 ASN 7 -4.875 11.869 0.546 44 H GLU 8 H GLU 8 -3.472 7.625 -3.124 45 HA GLU 8 HA GLU 8 -2.298 5.138 -2.468 46 HB2 GLU 8 2HB GLU 8 -1.460 5.640 -5.036 47 HB3 GLU 8 1HB GLU 8 -2.985 4.895 -4.589 48 HG2 GLU 8 2HG GLU 8 -3.513 6.568 -6.147 49 HG3 GLU 8 1HG GLU 8 -3.985 7.204 -4.573 50 H ASN 9 H ASN 9 -0.945 8.241 -3.498 51 HA ASN 9 HA ASN 9 1.756 7.397 -3.518 52 HB2 ASN 9 2HB ASN 9 0.344 10.020 -3.479 53 HB3 ASN 9 1HB ASN 9 2.039 10.012 -3.004 54 HD21 ASN 9 1HD2 ASN 9 -0.224 9.402 -5.595 55 HD22 ASN 9 2HD2 ASN 9 0.951 9.405 -6.865 56 H GLU 10 H GLU 10 -0.359 8.576 -0.989 57 HA GLU 10 HA GLU 10 1.656 8.957 0.974 58 HB2 GLU 10 2HB GLU 10 -0.336 10.049 1.499 59 HB3 GLU 10 1HB GLU 10 -1.329 8.677 1.038 60 HG2 GLU 10 2HG GLU 10 -1.326 9.124 3.464 61 HG3 GLU 10 1HG GLU 10 -0.763 7.507 3.051 62 H CYS 11 H CYS 11 -0.684 6.314 0.429 63 HA CYS 11 HA CYS 11 0.325 4.613 2.406 64 HB2 CYS 11 2HB CYS 11 -1.819 4.469 0.836 65 HB3 CYS 11 1HB CYS 11 -0.764 3.422 -0.107 66 H HIS 12 H HIS 12 1.324 5.177 -0.902 67 HA HIS 12 HA HIS 12 3.130 2.990 -1.089 68 HB2 HIS 12 2HB HIS 12 2.114 4.427 -2.984 69 HB3 HIS 12 1HB HIS 12 3.400 5.572 -2.624 70 HD1 HIS 12 1HD HIS 12 2.679 2.917 -4.846 71 HD2 HIS 12 2HD HIS 12 6.054 4.057 -2.718 72 HE1 HIS 12 1HE HIS 12 4.623 1.867 -6.046 73 HE2 HIS 12 2HE HIS 12 6.665 2.678 -4.815 74 H ALA 13 H ALA 13 3.597 6.471 -0.410 75 HA ALA 13 HA ALA 13 6.388 6.313 0.016 76 HB1 ALA 13 1HB ALA 13 4.424 8.322 1.119 77 HB2 ALA 13 2HB ALA 13 5.233 8.423 -0.446 78 HB3 ALA 13 3HB ALA 13 6.176 8.515 1.043 79 H HIS 14 H HIS 14 3.616 6.121 2.192 80 HA HIS 14 HA HIS 14 4.976 5.988 4.627 81 HB2 HIS 14 2HB HIS 14 2.480 6.197 4.269 82 HB3 HIS 14 1HB HIS 14 2.453 4.475 3.930 83 HD1 HIS 14 1HD HIS 14 4.219 6.344 6.732 84 HD2 HIS 14 2HD HIS 14 1.351 3.395 6.143 85 HE1 HIS 14 1HE HIS 14 3.708 5.431 9.021 86 HE2 HIS 14 2HE HIS 14 1.815 3.809 8.652 87 H CYS 15 H CYS 15 3.911 3.427 2.441 88 HA CYS 15 HA CYS 15 4.938 1.246 3.863 89 HB2 CYS 15 2HB CYS 15 3.422 1.447 1.678 90 HB3 CYS 15 1HB CYS 15 4.969 1.189 0.882 91 H LEU 16 H LEU 16 6.380 3.418 1.552 92 HA LEU 16 HA LEU 16 8.813 2.070 1.150 93 HB2 LEU 16 2HB LEU 16 7.715 4.725 0.621 94 HB3 LEU 16 1HB LEU 16 9.440 4.741 0.930 95 HG LEU 16 HG LEU 16 9.869 3.275 -0.916 96 HD11 LEU 16 1HD1 LEU 16 6.879 3.046 -1.217 97 HD12 LEU 16 2HD1 LEU 16 7.961 1.784 -0.629 98 HD13 LEU 16 3HD1 LEU 16 8.087 2.345 -2.295 99 HD21 LEU 16 3HD2 LEU 16 7.843 5.372 -1.687 100 HD22 LEU 16 1HD2 LEU 16 8.963 4.578 -2.794 101 HD23 LEU 16 2HD2 LEU 16 9.581 5.611 -1.505 102 H SER 17 H SER 17 7.633 4.004 3.751 103 HA SER 17 HA SER 17 10.220 4.555 4.890 104 HB2 SER 17 2HB SER 17 7.561 4.793 6.293 105 HB3 SER 17 1HB SER 17 9.048 5.682 6.621 106 HG SER 17 HG SER 17 8.000 5.925 4.056 107 H ILE 18 H ILE 18 8.007 1.900 5.000 108 HA ILE 18 HA ILE 18 9.201 0.983 7.516 109 HB ILE 18 HB ILE 18 7.460 -0.885 7.341 110 HG12 ILE 18 2HG1 ILE 18 6.211 1.098 5.429 111 HG13 ILE 18 1HG1 ILE 18 6.841 -0.485 4.984 112 HG21 ILE 18 1HG2 ILE 18 5.766 0.506 8.406 113 HG22 ILE 18 2HG2 ILE 18 6.536 1.958 7.766 114 HG23 ILE 18 3HG2 ILE 18 7.381 0.961 8.951 115 HD11 ILE 18 3HD1 ILE 18 5.163 -1.548 6.401 116 HD12 ILE 18 1HD1 ILE 18 4.424 -0.519 5.173 117 HD13 ILE 18 2HD1 ILE 18 4.533 0.039 6.843 118 H GLY 19 H GLY 19 10.668 1.006 5.044 119 HA2 GLY 19 2HA GLY 19 12.441 -0.442 4.486 120 HA3 GLY 19 1HA GLY 19 11.509 -1.791 5.109 121 H ARG 20 H ARG 20 9.119 -1.091 3.597 122 HA ARG 20 HA ARG 20 9.619 -2.645 1.297 123 HB2 ARG 20 2HB ARG 20 7.295 -0.815 1.227 124 HB3 ARG 20 1HB ARG 20 7.377 -2.542 0.918 125 HG2 ARG 20 2HG ARG 20 7.545 -1.339 3.669 126 HG3 ARG 20 1HG ARG 20 6.038 -1.859 2.918 127 HD2 ARG 20 2HD ARG 20 7.488 -4.080 2.568 128 HD3 ARG 20 1HD ARG 20 8.271 -3.454 4.021 129 HE ARG 20 HE ARG 20 5.457 -4.276 3.755 130 HH11 ARG 20 1HH1 ARG 20 8.072 -3.098 5.796 131 HH12 ARG 20 2HH1 ARG 20 7.292 -3.571 7.265 132 HH21 ARG 20 1HH2 ARG 20 4.429 -4.872 5.677 133 HH22 ARG 20 2HH2 ARG 20 5.215 -4.582 7.203 134 H LYS 21 H LYS 21 9.865 -2.100 -0.875 135 HA LYS 21 HA LYS 21 10.595 0.699 -1.338 136 HB2 LYS 21 2HB LYS 21 11.491 -1.826 -2.708 137 HB3 LYS 21 1HB LYS 21 11.842 -0.222 -3.339 138 HG2 LYS 21 2HG LYS 21 12.667 -1.239 -0.625 139 HG3 LYS 21 1HG LYS 21 13.710 -1.152 -2.048 140 HD2 LYS 21 2HD LYS 21 14.125 1.014 -1.699 141 HD3 LYS 21 1HD LYS 21 12.407 1.381 -1.543 142 HE2 LYS 21 2HE LYS 21 13.475 -0.028 0.771 143 HE3 LYS 21 1HE LYS 21 14.295 1.504 0.470 144 HZ1 LYS 21 3HZ LYS 21 12.107 2.588 0.436 145 HZ2 LYS 21 1HZ LYS 21 12.419 1.844 1.921 146 HZ3 LYS 21 2HZ LYS 21 11.366 1.116 0.817 147 H PHE 22 H PHE 22 8.442 -1.778 -2.321 148 HA PHE 22 HA PHE 22 7.048 0.125 -4.032 149 HB2 PHE 22 2HB PHE 22 7.178 -2.650 -5.092 150 HB3 PHE 22 1HB PHE 22 6.982 -1.135 -5.951 151 HD1 PHE 22 1HD PHE 22 8.926 0.224 -6.553 152 HD2 PHE 22 2HD PHE 22 9.353 -3.582 -4.694 153 HE1 PHE 22 1HE PHE 22 11.288 0.157 -7.237 154 HE2 PHE 22 2HE PHE 22 11.717 -3.652 -5.372 155 HZ PHE 22 HZ PHE 22 12.687 -1.780 -6.644 156 H GLY 23 H GLY 23 4.825 -0.444 -4.359 157 HA2 GLY 23 2HA GLY 23 3.465 -2.657 -3.525 158 HA3 GLY 23 1HA GLY 23 3.675 -1.707 -2.061 159 H PHE 24 H PHE 24 1.188 -2.328 -3.082 160 HA PHE 24 HA PHE 24 0.036 0.289 -3.331 161 HB2 PHE 24 2HB PHE 24 -1.201 -0.178 -5.438 162 HB3 PHE 24 1HB PHE 24 0.534 -0.031 -5.684 163 HD1 PHE 24 2HD PHE 24 1.884 -2.002 -6.221 164 HD2 PHE 24 1HD PHE 24 -2.346 -2.251 -5.815 165 HE1 PHE 24 2HE PHE 24 1.906 -4.185 -7.355 166 HE2 PHE 24 1HE PHE 24 -2.330 -4.434 -6.950 167 HZ PHE 24 HZ PHE 24 -0.202 -5.402 -7.721 168 H CYS 25 H CYS 25 -2.503 -0.080 -3.719 169 HA CYS 25 HA CYS 25 -3.241 -1.906 -1.615 170 HB2 CYS 25 2HB CYS 25 -5.527 -0.980 -1.934 171 HB3 CYS 25 1HB CYS 25 -4.310 0.250 -1.625 172 H ALA 26 H ALA 26 -3.848 -3.906 -1.852 173 HA ALA 26 HA ALA 26 -4.938 -4.763 -4.451 174 HB1 ALA 26 1HB ALA 26 -2.653 -5.591 -4.166 175 HB2 ALA 26 2HB ALA 26 -3.819 -6.914 -4.150 176 HB3 ALA 26 3HB ALA 26 -3.113 -6.343 -2.639 177 H GLY 27 H GLY 27 -6.646 -6.175 -4.403 178 HA2 GLY 27 2HA GLY 27 -7.836 -7.894 -3.000 179 HA3 GLY 27 1HA GLY 27 -7.818 -6.668 -1.739 180 HA PRO 28 HA PRO 28 -11.341 -6.055 -5.004 181 HB2 PRO 28 2HB PRO 28 -13.210 -7.920 -4.308 182 HB3 PRO 28 1HB PRO 28 -12.022 -8.156 -5.593 183 HG2 PRO 28 2HG PRO 28 -12.007 -9.169 -2.784 184 HG3 PRO 28 1HG PRO 28 -11.500 -9.984 -4.274 185 HD2 PRO 28 2HD PRO 28 -9.750 -8.878 -2.507 186 HD3 PRO 28 1HD PRO 28 -9.423 -9.010 -4.246 187 H LEU 29 H LEU 29 -12.644 -7.620 -2.086 188 HA LEU 29 HA LEU 29 -14.202 -5.269 -1.487 189 HB2 LEU 29 2HB LEU 29 -13.936 -7.928 -0.086 190 HB3 LEU 29 1HB LEU 29 -15.000 -6.646 0.457 191 HG LEU 29 HG LEU 29 -15.910 -6.857 -2.039 192 HD11 LEU 29 1HD1 LEU 29 -14.892 -9.624 -1.405 193 HD12 LEU 29 2HD1 LEU 29 -14.315 -8.577 -2.702 194 HD13 LEU 29 3HD1 LEU 29 -15.965 -9.196 -2.738 195 HD21 LEU 29 3HD2 LEU 29 -17.245 -7.064 -0.019 196 HD22 LEU 29 1HD2 LEU 29 -16.642 -8.703 0.229 197 HD23 LEU 29 2HD2 LEU 29 -17.654 -8.339 -1.168 198 H ARG 30 H ARG 30 -11.158 -6.494 -0.610 199 HA ARG 30 HA ARG 30 -10.950 -4.489 1.523 200 HB2 ARG 30 2HB ARG 30 -10.100 -7.367 1.604 201 HB3 ARG 30 1HB ARG 30 -9.270 -6.163 2.579 202 HG2 ARG 30 2HG ARG 30 -12.226 -6.732 2.691 203 HG3 ARG 30 1HG ARG 30 -11.023 -7.369 3.812 204 HD2 ARG 30 2HD ARG 30 -11.792 -5.541 4.976 205 HD3 ARG 30 1HD ARG 30 -10.408 -4.850 4.131 206 HE ARG 30 HE ARG 30 -12.671 -4.517 2.516 207 HH11 ARG 30 1HH1 ARG 30 -11.402 -3.367 5.571 208 HH12 ARG 30 2HH1 ARG 30 -12.240 -1.853 5.498 209 HH21 ARG 30 1HH2 ARG 30 -13.778 -2.532 2.409 210 HH22 ARG 30 2HH2 ARG 30 -13.604 -1.376 3.690 211 H ALA 31 H ALA 31 -10.164 -3.377 -0.503 212 HA ALA 31 HA ALA 31 -7.642 -4.120 -1.602 213 HB1 ALA 31 1HB ALA 31 -9.067 -1.463 -1.725 214 HB2 ALA 31 2HB ALA 31 -9.275 -2.796 -2.861 215 HB3 ALA 31 3HB ALA 31 -7.720 -1.972 -2.745 216 H THR 32 H THR 32 -6.486 -4.418 0.393 217 HA THR 32 HA THR 32 -5.727 -1.986 1.834 218 HB THR 32 HB THR 32 -4.706 -4.737 2.487 219 HG1 THR 32 1HG THR 32 -6.865 -5.154 2.423 220 HG21 THR 32 3HG2 THR 32 -5.466 -2.356 4.190 221 HG22 THR 32 1HG2 THR 32 -3.826 -2.809 3.728 222 HG23 THR 32 2HG2 THR 32 -4.771 -3.866 4.778 223 H CYS 33 H CYS 33 -3.531 -1.318 1.970 224 HA CYS 33 HA CYS 33 -2.052 -1.705 -0.405 225 HB2 CYS 33 2HB CYS 33 -1.120 -0.528 2.204 226 HB3 CYS 33 1HB CYS 33 -0.298 -0.375 0.661 227 H THR 34 H THR 34 -0.752 -3.185 -0.964 228 HA THR 34 HA THR 34 0.573 -4.863 1.064 229 HB THR 34 HB THR 34 -0.075 -5.915 -1.671 230 HG1 THR 34 1HG THR 34 -1.917 -5.140 0.122 231 HG21 THR 34 3HG2 THR 34 0.171 -7.218 1.044 232 HG22 THR 34 1HG2 THR 34 1.415 -7.198 -0.207 233 HG23 THR 34 2HG2 THR 34 -0.100 -8.058 -0.483 234 H CYS 35 H CYS 35 2.733 -4.815 0.921 235 HA CYS 35 HA CYS 35 3.902 -3.745 -1.551 236 HB2 CYS 35 2HB CYS 35 4.708 -3.500 1.333 237 HB3 CYS 35 1HB CYS 35 5.866 -3.208 0.037 238 H GLY 36 H GLY 36 6.435 -4.407 -1.488 239 HA2 GLY 36 2HA GLY 36 6.621 -7.009 -2.368 240 HA3 GLY 36 1HA GLY 36 7.986 -6.076 -1.780 241 H LYS 37 H LYS 37 6.974 -5.860 0.918 242 HA LYS 37 HA LYS 37 7.170 -8.658 1.798 243 HB2 LYS 37 2HB LYS 37 8.648 -6.242 2.830 244 HB3 LYS 37 1HB LYS 37 8.419 -7.675 3.824 245 HG2 LYS 37 2HG LYS 37 9.823 -7.577 1.161 246 HG3 LYS 37 1HG LYS 37 10.595 -7.693 2.744 247 HD2 LYS 37 2HD LYS 37 9.542 -9.849 3.126 248 HD3 LYS 37 1HD LYS 37 8.683 -9.723 1.590 249 HE2 LYS 37 2HE LYS 37 10.580 -11.166 1.300 250 HE3 LYS 37 1HE LYS 37 10.874 -9.662 0.429 251 HZ1 LYS 37 3HZ LYS 37 12.829 -10.380 1.654 252 HZ2 LYS 37 1HZ LYS 37 11.962 -10.345 3.107 253 HZ3 LYS 37 2HZ LYS 37 12.254 -8.911 2.262 254 H GLN 38 H GLN 38 4.792 -7.469 1.374 255 HA GLN 38 HA GLN 38 2.770 -7.074 2.297 256 HB2 GLN 38 2HB GLN 38 3.592 -9.026 3.780 257 HB3 GLN 38 1HB GLN 38 3.890 -7.794 5.000 258 HG2 GLN 38 2HG GLN 38 1.311 -7.281 4.125 259 HG3 GLN 38 1HG GLN 38 1.412 -9.040 4.194 260 HE21 GLN 38 1HE2 GLN 38 1.918 -6.095 6.030 261 HE22 GLN 38 2HE2 GLN 38 1.637 -6.800 7.587 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -10.672 2.307 2.911 2 H2 GLY 1 2HT GLY 1 -10.980 1.975 4.537 3 H3 GLY 1 3HT GLY 1 -11.303 0.803 3.361 4 HA2 GLY 1 1HA GLY 1 -9.285 0.234 4.511 5 HA3 GLY 1 2HA GLY 1 -8.934 0.662 2.841 6 H PHE 2 H PHE 2 -6.753 1.127 3.541 7 HA PHE 2 HA PHE 2 -6.390 3.353 5.361 8 HB2 PHE 2 2HB PHE 2 -4.792 1.509 5.454 9 HB3 PHE 2 1HB PHE 2 -4.380 1.751 3.759 10 HD1 PHE 2 2HD PHE 2 -4.371 3.503 7.043 11 HD2 PHE 2 1HD PHE 2 -2.606 3.129 3.188 12 HE1 PHE 2 2HE PHE 2 -2.610 5.090 7.699 13 HE2 PHE 2 1HE PHE 2 -0.842 4.716 3.837 14 HZ PHE 2 HZ PHE 2 -0.845 5.700 6.095 15 H GLY 3 H GLY 3 -5.193 2.720 2.054 16 HA2 GLY 3 2HA GLY 3 -5.495 5.611 1.552 17 HA3 GLY 3 1HA GLY 3 -4.235 4.620 0.834 18 H CYS 4 H CYS 4 -4.893 2.962 -0.694 19 HA CYS 4 HA CYS 4 -6.579 3.957 -2.691 20 HB2 CYS 4 2HB CYS 4 -6.354 1.149 -3.012 21 HB3 CYS 4 1HB CYS 4 -5.424 2.410 -3.819 22 HA PRO 5 HA PRO 5 -7.718 2.807 -4.449 23 HB2 PRO 5 2HB PRO 5 -10.435 3.549 -5.108 24 HB3 PRO 5 1HB PRO 5 -9.498 2.169 -5.680 25 HG2 PRO 5 2HG PRO 5 -11.661 1.935 -4.039 26 HG3 PRO 5 1HG PRO 5 -10.318 0.777 -4.056 27 HD2 PRO 5 2HD PRO 5 -10.854 3.031 -2.153 28 HD3 PRO 5 1HD PRO 5 -10.287 1.380 -1.814 29 H PHE 6 H PHE 6 -8.635 4.837 -2.060 30 HA PHE 6 HA PHE 6 -9.067 7.206 -3.670 31 HB2 PHE 6 2HB PHE 6 -10.232 6.840 -1.486 32 HB3 PHE 6 1HB PHE 6 -8.677 6.996 -0.677 33 HD1 PHE 6 1HD PHE 6 -10.602 8.889 -3.262 34 HD2 PHE 6 2HD PHE 6 -8.324 9.015 0.330 35 HE1 PHE 6 1HE PHE 6 -10.913 11.328 -3.154 36 HE2 PHE 6 2HE PHE 6 -8.631 11.452 0.444 37 HZ PHE 6 HZ PHE 6 -9.928 12.613 -1.298 38 H ASN 7 H ASN 7 -6.837 6.773 -0.938 39 HA ASN 7 HA ASN 7 -4.859 8.381 -2.384 40 HB2 ASN 7 2HB ASN 7 -5.422 7.817 0.490 41 HB3 ASN 7 1HB ASN 7 -3.759 8.175 0.037 42 HD21 ASN 7 1HD2 ASN 7 -4.310 9.979 1.574 43 HD22 ASN 7 2HD2 ASN 7 -4.952 11.425 0.859 44 H GLU 8 H GLU 8 -4.586 6.390 -3.743 45 HA GLU 8 HA GLU 8 -3.386 4.054 -2.736 46 HB2 GLU 8 2HB GLU 8 -2.486 4.202 -5.324 47 HB3 GLU 8 1HB GLU 8 -4.026 3.528 -4.817 48 HG2 GLU 8 2HG GLU 8 -4.560 4.967 -6.570 49 HG3 GLU 8 1HG GLU 8 -4.976 5.869 -5.114 50 H ASN 9 H ASN 9 -1.992 6.986 -4.143 51 HA ASN 9 HA ASN 9 0.707 6.161 -4.004 52 HB2 ASN 9 2HB ASN 9 -0.714 8.755 -4.340 53 HB3 ASN 9 1HB ASN 9 0.976 8.820 -3.851 54 HD21 ASN 9 1HD2 ASN 9 -1.257 7.850 -6.354 55 HD22 ASN 9 2HD2 ASN 9 -0.070 7.680 -7.601 56 H GLU 10 H GLU 10 -1.438 7.617 -1.645 57 HA GLU 10 HA GLU 10 0.585 8.312 0.232 58 HB2 GLU 10 2HB GLU 10 -1.766 9.215 0.211 59 HB3 GLU 10 1HB GLU 10 -2.305 7.657 0.821 60 HG2 GLU 10 2HG GLU 10 -1.068 7.954 2.848 61 HG3 GLU 10 1HG GLU 10 -0.314 9.422 2.225 62 H CYS 11 H CYS 11 -1.503 5.491 -0.208 63 HA CYS 11 HA CYS 11 -0.623 4.019 2.016 64 HB2 CYS 11 2HB CYS 11 -2.554 3.242 0.841 65 HB3 CYS 11 1HB CYS 11 -1.685 3.171 -0.684 66 H HIS 12 H HIS 12 0.557 4.202 -1.302 67 HA HIS 12 HA HIS 12 2.674 2.354 -1.014 68 HB2 HIS 12 2HB HIS 12 1.708 3.212 -3.194 69 HB3 HIS 12 1HB HIS 12 2.607 4.701 -2.922 70 HD1 HIS 12 1HD HIS 12 2.883 1.656 -4.704 71 HD2 HIS 12 2HD HIS 12 5.540 3.977 -2.523 72 HE1 HIS 12 1HE HIS 12 5.178 0.973 -5.485 73 HE2 HIS 12 2HE HIS 12 6.766 2.240 -3.993 74 H ALA 13 H ALA 13 2.490 5.873 -0.609 75 HA ALA 13 HA ALA 13 5.213 6.365 -0.154 76 HB1 ALA 13 1HB ALA 13 4.493 8.438 0.918 77 HB2 ALA 13 2HB ALA 13 2.838 7.831 0.999 78 HB3 ALA 13 3HB ALA 13 3.586 8.150 -0.567 79 H HIS 14 H HIS 14 2.569 5.631 2.093 80 HA HIS 14 HA HIS 14 4.008 5.690 4.485 81 HB2 HIS 14 2HB HIS 14 1.547 5.433 4.363 82 HB3 HIS 14 1HB HIS 14 1.753 3.810 3.734 83 HD1 HIS 14 1HD HIS 14 0.358 2.999 5.843 84 HD2 HIS 14 2HD HIS 14 4.086 4.635 6.680 85 HE1 HIS 14 1HE HIS 14 0.889 2.303 8.202 86 HE2 HIS 14 2HE HIS 14 3.126 3.344 8.705 87 H CYS 15 H CYS 15 3.362 3.023 2.285 88 HA CYS 15 HA CYS 15 4.764 1.009 3.570 89 HB2 CYS 15 2HB CYS 15 3.286 0.611 1.660 90 HB3 CYS 15 1HB CYS 15 4.405 1.460 0.601 91 H LEU 16 H LEU 16 5.897 3.444 1.335 92 HA LEU 16 HA LEU 16 8.546 2.553 1.029 93 HB2 LEU 16 2HB LEU 16 7.078 5.096 0.625 94 HB3 LEU 16 1HB LEU 16 8.821 5.203 0.743 95 HG LEU 16 HG LEU 16 7.405 3.401 -1.217 96 HD11 LEU 16 1HD1 LEU 16 8.497 6.179 -1.646 97 HD12 LEU 16 2HD1 LEU 16 6.794 5.718 -1.659 98 HD13 LEU 16 3HD1 LEU 16 7.883 5.104 -2.903 99 HD21 LEU 16 3HD2 LEU 16 9.726 2.807 -0.658 100 HD22 LEU 16 1HD2 LEU 16 10.239 4.430 -1.120 101 HD23 LEU 16 2HD2 LEU 16 9.557 3.342 -2.331 102 H SER 17 H SER 17 6.944 4.375 3.519 103 HA SER 17 HA SER 17 9.368 5.286 4.771 104 HB2 SER 17 2HB SER 17 6.655 5.266 6.068 105 HB3 SER 17 1HB SER 17 7.988 6.393 6.317 106 HG SER 17 HG SER 17 7.142 6.333 3.725 107 H ILE 18 H ILE 18 7.669 2.309 4.821 108 HA ILE 18 HA ILE 18 8.729 1.755 7.507 109 HB ILE 18 HB ILE 18 7.339 -0.372 7.371 110 HG12 ILE 18 2HG1 ILE 18 5.964 1.171 5.162 111 HG13 ILE 18 1HG1 ILE 18 6.920 -0.290 4.931 112 HG21 ILE 18 1HG2 ILE 18 5.280 0.818 8.046 113 HG22 ILE 18 2HG2 ILE 18 5.985 2.320 7.449 114 HG23 ILE 18 3HG2 ILE 18 6.736 1.470 8.800 115 HD11 ILE 18 3HD1 ILE 18 4.541 -0.770 4.913 116 HD12 ILE 18 1HD1 ILE 18 4.378 -0.083 6.529 117 HD13 ILE 18 2HD1 ILE 18 5.332 -1.547 6.284 118 H GLY 19 H GLY 19 10.319 1.882 5.072 119 HA2 GLY 19 2HA GLY 19 12.351 0.753 4.704 120 HA3 GLY 19 1HA GLY 19 11.666 -0.680 5.448 121 H ARG 20 H ARG 20 9.251 -0.600 3.801 122 HA ARG 20 HA ARG 20 10.241 -2.170 1.639 123 HB2 ARG 20 2HB ARG 20 7.468 -1.136 2.237 124 HB3 ARG 20 1HB ARG 20 7.840 -2.227 0.912 125 HG2 ARG 20 2HG ARG 20 7.121 -3.696 2.514 126 HG3 ARG 20 1HG ARG 20 8.860 -3.714 2.802 127 HD2 ARG 20 2HD ARG 20 8.677 -2.387 4.713 128 HD3 ARG 20 1HD ARG 20 7.072 -1.811 4.272 129 HE ARG 20 HE ARG 20 6.522 -4.365 4.632 130 HH11 ARG 20 1HH1 ARG 20 8.569 -2.258 6.565 131 HH12 ARG 20 2HH1 ARG 20 8.285 -3.136 8.034 132 HH21 ARG 20 1HH2 ARG 20 6.132 -5.500 6.560 133 HH22 ARG 20 2HH2 ARG 20 6.902 -4.981 8.034 134 H LYS 21 H LYS 21 9.777 -1.768 -0.658 135 HA LYS 21 HA LYS 21 10.078 1.083 -1.262 136 HB2 LYS 21 2HB LYS 21 11.473 -1.247 -2.192 137 HB3 LYS 21 1HB LYS 21 10.742 -0.407 -3.553 138 HG2 LYS 21 2HG LYS 21 12.513 0.930 -3.532 139 HG3 LYS 21 1HG LYS 21 11.861 1.627 -2.050 140 HD2 LYS 21 2HD LYS 21 13.778 -0.702 -2.203 141 HD3 LYS 21 1HD LYS 21 14.214 0.958 -1.804 142 HE2 LYS 21 2HE LYS 21 12.349 -0.815 -0.230 143 HE3 LYS 21 1HE LYS 21 14.012 -0.431 0.199 144 HZ1 LYS 21 3HZ LYS 21 12.502 0.932 1.450 145 HZ2 LYS 21 1HZ LYS 21 11.746 1.488 0.041 146 HZ3 LYS 21 2HZ LYS 21 13.351 1.916 0.365 147 H PHE 22 H PHE 22 8.219 -1.740 -1.981 148 HA PHE 22 HA PHE 22 6.360 -0.043 -3.479 149 HB2 PHE 22 2HB PHE 22 6.540 -2.896 -4.284 150 HB3 PHE 22 1HB PHE 22 6.080 -1.495 -5.230 151 HD1 PHE 22 1HD PHE 22 7.834 0.029 -6.118 152 HD2 PHE 22 2HD PHE 22 8.772 -3.704 -4.301 153 HE1 PHE 22 1HE PHE 22 10.058 0.081 -7.167 154 HE2 PHE 22 2HE PHE 22 11.000 -3.656 -5.344 155 HZ PHE 22 HZ PHE 22 11.645 -1.761 -6.779 156 H GLY 23 H GLY 23 4.209 -0.671 -3.374 157 HA2 GLY 23 2HA GLY 23 3.027 -2.799 -2.164 158 HA3 GLY 23 1HA GLY 23 3.458 -1.739 -0.826 159 H PHE 24 H PHE 24 0.834 -2.510 -1.701 160 HA PHE 24 HA PHE 24 -0.451 0.006 -1.605 161 HB2 PHE 24 2HB PHE 24 -1.671 -0.159 -3.786 162 HB3 PHE 24 1HB PHE 24 0.044 0.192 -3.965 163 HD1 PHE 24 2HD PHE 24 1.556 -1.445 -4.925 164 HD2 PHE 24 1HD PHE 24 -2.597 -2.276 -4.505 165 HE1 PHE 24 2HE PHE 24 1.785 -3.349 -6.464 166 HE2 PHE 24 1HE PHE 24 -2.374 -4.181 -6.045 167 HZ PHE 24 HZ PHE 24 -0.181 -4.720 -7.026 168 H CYS 25 H CYS 25 -2.958 -0.503 -2.206 169 HA CYS 25 HA CYS 25 -3.676 -2.543 -0.360 170 HB2 CYS 25 2HB CYS 25 -5.542 -1.162 -2.289 171 HB3 CYS 25 1HB CYS 25 -5.929 -1.862 -0.720 172 H ALA 26 H ALA 26 -3.612 -4.607 -0.778 173 HA ALA 26 HA ALA 26 -3.572 -5.674 -3.427 174 HB1 ALA 26 1HB ALA 26 -3.906 -7.104 -0.790 175 HB2 ALA 26 2HB ALA 26 -2.371 -6.739 -1.577 176 HB3 ALA 26 3HB ALA 26 -3.507 -7.855 -2.334 177 H GLY 27 H GLY 27 -5.449 -5.147 -4.481 178 HA2 GLY 27 2HA GLY 27 -7.487 -6.387 -5.134 179 HA3 GLY 27 1HA GLY 27 -7.903 -6.412 -3.426 180 HA PRO 28 HA PRO 28 -8.854 -2.211 -5.928 181 HB2 PRO 28 2HB PRO 28 -11.235 -3.041 -7.138 182 HB3 PRO 28 1HB PRO 28 -9.696 -2.761 -7.957 183 HG2 PRO 28 2HG PRO 28 -10.909 -5.318 -7.017 184 HG3 PRO 28 1HG PRO 28 -9.945 -4.997 -8.471 185 HD2 PRO 28 2HD PRO 28 -8.885 -6.235 -6.351 186 HD3 PRO 28 1HD PRO 28 -7.936 -5.075 -7.305 187 H LEU 29 H LEU 29 -11.362 -4.557 -4.933 188 HA LEU 29 HA LEU 29 -12.627 -2.436 -3.360 189 HB2 LEU 29 2HB LEU 29 -13.630 -5.160 -4.185 190 HB3 LEU 29 1HB LEU 29 -14.529 -4.039 -3.179 191 HG LEU 29 HG LEU 29 -13.691 -3.550 -6.041 192 HD11 LEU 29 1HD1 LEU 29 -16.397 -4.119 -4.838 193 HD12 LEU 29 2HD1 LEU 29 -15.459 -5.212 -5.856 194 HD13 LEU 29 3HD1 LEU 29 -16.083 -3.703 -6.523 195 HD21 LEU 29 3HD2 LEU 29 -15.356 -1.874 -4.165 196 HD22 LEU 29 1HD2 LEU 29 -15.091 -1.547 -5.878 197 HD23 LEU 29 2HD2 LEU 29 -13.738 -1.486 -4.749 198 H ARG 30 H ARG 30 -10.159 -3.867 -2.603 199 HA ARG 30 HA ARG 30 -11.058 -5.249 -0.172 200 HB2 ARG 30 2HB ARG 30 -9.519 -6.512 -1.585 201 HB3 ARG 30 1HB ARG 30 -8.349 -5.203 -1.503 202 HG2 ARG 30 2HG ARG 30 -7.745 -7.009 -0.019 203 HG3 ARG 30 1HG ARG 30 -8.112 -5.550 0.894 204 HD2 ARG 30 2HD ARG 30 -10.450 -6.514 1.177 205 HD3 ARG 30 1HD ARG 30 -9.778 -8.033 0.581 206 HE ARG 30 HE ARG 30 -8.665 -6.660 2.944 207 HH11 ARG 30 1HH1 ARG 30 -9.964 -9.521 1.399 208 HH12 ARG 30 2HH1 ARG 30 -9.619 -10.565 2.735 209 HH21 ARG 30 1HH2 ARG 30 -8.200 -8.028 4.714 210 HH22 ARG 30 2HH2 ARG 30 -8.609 -9.710 4.635 211 H ALA 31 H ALA 31 -8.986 -2.685 -1.377 212 HA ALA 31 HA ALA 31 -8.051 -0.847 -0.444 213 HB1 ALA 31 1HB ALA 31 -10.401 -0.322 -0.044 214 HB2 ALA 31 2HB ALA 31 -9.361 0.338 1.218 215 HB3 ALA 31 3HB ALA 31 -10.311 -1.114 1.528 216 H THR 32 H THR 32 -7.293 -3.581 0.657 217 HA THR 32 HA THR 32 -6.260 -2.756 3.280 218 HB THR 32 HB THR 32 -6.176 -5.532 2.086 219 HG1 THR 32 1HG THR 32 -8.332 -4.216 2.807 220 HG21 THR 32 3HG2 THR 32 -5.946 -4.541 4.933 221 HG22 THR 32 1HG2 THR 32 -4.616 -5.123 3.933 222 HG23 THR 32 2HG2 THR 32 -5.899 -6.229 4.422 223 H CYS 33 H CYS 33 -4.334 -1.801 3.125 224 HA CYS 33 HA CYS 33 -2.612 -2.043 0.914 225 HB2 CYS 33 2HB CYS 33 -2.175 -0.956 3.684 226 HB3 CYS 33 1HB CYS 33 -0.927 -0.919 2.450 227 H THR 34 H THR 34 -0.972 -3.244 0.466 228 HA THR 34 HA THR 34 0.307 -4.937 2.472 229 HB THR 34 HB THR 34 -0.571 -6.135 -0.152 230 HG1 THR 34 1HG THR 34 -2.057 -5.656 2.127 231 HG21 THR 34 3HG2 THR 34 1.260 -7.252 1.025 232 HG22 THR 34 1HG2 THR 34 -0.195 -8.249 1.036 233 HG23 THR 34 2HG2 THR 34 0.269 -7.353 2.482 234 H CYS 35 H CYS 35 2.465 -4.907 2.173 235 HA CYS 35 HA CYS 35 3.481 -3.563 -0.197 236 HB2 CYS 35 2HB CYS 35 4.831 -4.379 2.379 237 HB3 CYS 35 1HB CYS 35 5.638 -3.544 1.055 238 H GLY 36 H GLY 36 5.496 -4.382 -1.201 239 HA2 GLY 36 2HA GLY 36 5.105 -6.980 -2.231 240 HA3 GLY 36 1HA GLY 36 6.525 -5.981 -2.476 241 H LYS 37 H LYS 37 6.848 -5.879 0.514 242 HA LYS 37 HA LYS 37 7.876 -8.602 0.906 243 HB2 LYS 37 2HB LYS 37 9.262 -5.977 1.377 244 HB3 LYS 37 1HB LYS 37 9.728 -7.416 2.276 245 HG2 LYS 37 2HG LYS 37 9.900 -8.503 -0.081 246 HG3 LYS 37 1HG LYS 37 10.002 -6.833 -0.636 247 HD2 LYS 37 2HD LYS 37 11.975 -6.438 0.587 248 HD3 LYS 37 1HD LYS 37 11.762 -7.900 1.554 249 HE2 LYS 37 2HE LYS 37 12.395 -7.777 -1.393 250 HE3 LYS 37 1HE LYS 37 13.512 -8.220 -0.104 251 HZ1 LYS 37 3HZ LYS 37 12.122 -10.136 0.392 252 HZ2 LYS 37 1HZ LYS 37 12.634 -10.172 -1.220 253 HZ3 LYS 37 2HZ LYS 37 11.050 -9.710 -0.846 254 H GLN 38 H GLN 38 5.405 -7.811 1.744 255 HA GLN 38 HA GLN 38 4.013 -7.822 3.525 256 HB2 GLN 38 2HB GLN 38 6.495 -8.857 4.903 257 HB3 GLN 38 1HB GLN 38 4.922 -8.763 5.683 258 HG2 GLN 38 2HG GLN 38 3.999 -10.268 3.984 259 HG3 GLN 38 1HG GLN 38 5.589 -10.378 3.232 260 HE21 GLN 38 1HE2 GLN 38 3.881 -12.444 4.430 261 HE22 GLN 38 2HE2 GLN 38 4.847 -13.204 5.642 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -10.710 3.505 -1.135 2 H2 GLY 1 2HT GLY 1 -10.698 2.264 -2.285 3 H3 GLY 1 3HT GLY 1 -9.320 3.227 -2.063 4 HA2 GLY 1 1HA GLY 1 -10.459 1.253 -0.163 5 HA3 GLY 1 2HA GLY 1 -8.911 1.158 -0.996 6 H PHE 2 H PHE 2 -7.741 1.037 0.957 7 HA PHE 2 HA PHE 2 -8.002 2.847 3.088 8 HB2 PHE 2 2HB PHE 2 -6.730 0.690 3.168 9 HB3 PHE 2 1HB PHE 2 -5.468 1.443 2.199 10 HD1 PHE 2 2HD PHE 2 -7.362 1.976 5.367 11 HD2 PHE 2 1HD PHE 2 -3.684 2.419 3.274 12 HE1 PHE 2 2HE PHE 2 -6.302 2.822 7.419 13 HE2 PHE 2 1HE PHE 2 -2.616 3.265 5.322 14 HZ PHE 2 HZ PHE 2 -3.926 3.468 7.399 15 H GLY 3 H GLY 3 -5.688 2.832 0.387 16 HA2 GLY 3 2HA GLY 3 -5.319 5.728 0.822 17 HA3 GLY 3 1HA GLY 3 -4.072 4.665 0.178 18 H CYS 4 H CYS 4 -4.754 3.458 -1.838 19 HA CYS 4 HA CYS 4 -5.214 5.236 -3.920 20 HB2 CYS 4 2HB CYS 4 -5.987 2.468 -4.492 21 HB3 CYS 4 1HB CYS 4 -4.695 3.443 -5.191 22 HA PRO 5 HA PRO 5 -5.880 5.397 -5.811 23 HB2 PRO 5 2HB PRO 5 -7.713 6.875 -7.324 24 HB3 PRO 5 1HB PRO 5 -7.188 5.223 -7.644 25 HG2 PRO 5 2HG PRO 5 -9.777 6.031 -6.928 26 HG3 PRO 5 1HG PRO 5 -9.159 4.371 -6.907 27 HD2 PRO 5 2HD PRO 5 -9.443 6.319 -4.659 28 HD3 PRO 5 1HD PRO 5 -9.664 4.554 -4.663 29 H PHE 6 H PHE 6 -7.163 7.009 -3.405 30 HA PHE 6 HA PHE 6 -6.705 9.711 -4.383 31 HB2 PHE 6 2HB PHE 6 -8.650 8.971 -2.831 32 HB3 PHE 6 1HB PHE 6 -7.442 9.042 -1.551 33 HD1 PHE 6 1HD PHE 6 -9.034 11.060 -4.225 34 HD2 PHE 6 2HD PHE 6 -6.896 11.075 -0.545 35 HE1 PHE 6 1HE PHE 6 -9.403 13.484 -4.025 36 HE2 PHE 6 2HE PHE 6 -7.261 13.499 -0.339 37 HZ PHE 6 HZ PHE 6 -8.516 14.707 -2.080 38 H ASN 7 H ASN 7 -5.654 7.869 -1.504 39 HA ASN 7 HA ASN 7 -3.187 9.477 -1.520 40 HB2 ASN 7 2HB ASN 7 -4.369 7.933 0.798 41 HB3 ASN 7 1HB ASN 7 -2.995 9.031 0.857 42 HD21 ASN 7 1HD2 ASN 7 -3.440 11.303 0.257 43 HD22 ASN 7 2HD2 ASN 7 -4.975 11.964 0.727 44 H GLU 8 H GLU 8 -3.212 7.428 -3.302 45 HA GLU 8 HA GLU 8 -2.213 5.005 -2.177 46 HB2 GLU 8 2HB GLU 8 -1.483 4.633 -4.651 47 HB3 GLU 8 1HB GLU 8 -3.187 4.607 -4.222 48 HG2 GLU 8 2HG GLU 8 -3.292 7.015 -4.911 49 HG3 GLU 8 1HG GLU 8 -1.657 6.825 -5.547 50 H ASN 9 H ASN 9 -0.740 7.878 -3.539 51 HA ASN 9 HA ASN 9 1.909 6.868 -3.652 52 HB2 ASN 9 2HB ASN 9 0.645 9.568 -3.748 53 HB3 ASN 9 1HB ASN 9 2.363 9.489 -3.373 54 HD21 ASN 9 1HD2 ASN 9 0.699 10.371 -5.758 55 HD22 ASN 9 2HD2 ASN 9 1.468 9.601 -7.100 56 H GLU 10 H GLU 10 0.012 8.496 -1.194 57 HA GLU 10 HA GLU 10 2.132 8.819 0.669 58 HB2 GLU 10 2HB GLU 10 -0.856 8.703 1.125 59 HB3 GLU 10 1HB GLU 10 0.331 9.257 2.300 60 HG2 GLU 10 2HG GLU 10 -0.260 11.269 1.476 61 HG3 GLU 10 1HG GLU 10 0.976 10.870 0.285 62 H CYS 11 H CYS 11 -0.388 6.358 0.237 63 HA CYS 11 HA CYS 11 0.329 4.777 2.461 64 HB2 CYS 11 2HB CYS 11 -1.718 4.650 0.753 65 HB3 CYS 11 1HB CYS 11 -0.682 3.461 -0.030 66 H HIS 12 H HIS 12 1.424 4.886 -0.870 67 HA HIS 12 HA HIS 12 3.159 2.656 -0.808 68 HB2 HIS 12 2HB HIS 12 2.265 3.897 -2.848 69 HB3 HIS 12 1HB HIS 12 3.468 5.135 -2.517 70 HD1 HIS 12 1HD HIS 12 3.004 2.443 -4.688 71 HD2 HIS 12 2HD HIS 12 6.182 3.650 -2.315 72 HE1 HIS 12 1HE HIS 12 5.057 1.413 -5.724 73 HE2 HIS 12 2HE HIS 12 6.960 2.086 -4.217 74 H ALA 13 H ALA 13 3.726 6.144 -0.362 75 HA ALA 13 HA ALA 13 6.488 6.011 0.121 76 HB1 ALA 13 1HB ALA 13 5.310 8.097 -0.389 77 HB2 ALA 13 2HB ALA 13 6.256 8.235 1.092 78 HB3 ALA 13 3HB ALA 13 4.507 8.026 1.180 79 H HIS 14 H HIS 14 3.715 5.796 2.302 80 HA HIS 14 HA HIS 14 5.111 5.736 4.736 81 HB2 HIS 14 2HB HIS 14 2.639 5.930 4.533 82 HB3 HIS 14 1HB HIS 14 2.568 4.250 4.034 83 HD1 HIS 14 1HD HIS 14 4.578 5.674 6.928 84 HD2 HIS 14 2HD HIS 14 1.402 3.088 6.198 85 HE1 HIS 14 1HE HIS 14 4.046 4.613 9.146 86 HE2 HIS 14 2HE HIS 14 2.180 2.990 8.663 87 H CYS 15 H CYS 15 4.056 3.155 2.591 88 HA CYS 15 HA CYS 15 5.068 0.975 4.001 89 HB2 CYS 15 2HB CYS 15 3.761 1.363 1.591 90 HB3 CYS 15 1HB CYS 15 5.317 0.698 1.105 91 H LEU 16 H LEU 16 6.589 3.183 1.781 92 HA LEU 16 HA LEU 16 9.031 1.837 1.418 93 HB2 LEU 16 2HB LEU 16 7.971 4.526 0.942 94 HB3 LEU 16 1HB LEU 16 9.694 4.495 1.262 95 HG LEU 16 HG LEU 16 10.113 3.098 -0.623 96 HD11 LEU 16 1HD1 LEU 16 8.230 1.583 -0.372 97 HD12 LEU 16 2HD1 LEU 16 8.322 2.201 -2.022 98 HD13 LEU 16 3HD1 LEU 16 7.124 2.850 -0.902 99 HD21 LEU 16 3HD2 LEU 16 9.134 4.421 -2.479 100 HD22 LEU 16 1HD2 LEU 16 9.847 5.415 -1.207 101 HD23 LEU 16 2HD2 LEU 16 8.095 5.231 -1.305 102 H SER 17 H SER 17 7.820 3.814 4.015 103 HA SER 17 HA SER 17 10.384 4.289 5.215 104 HB2 SER 17 2HB SER 17 7.871 4.471 6.810 105 HB3 SER 17 1HB SER 17 9.251 5.568 6.757 106 HG SER 17 HG SER 17 8.315 5.769 4.396 107 H ILE 18 H ILE 18 8.259 1.625 5.117 108 HA ILE 18 HA ILE 18 9.444 0.568 7.592 109 HB ILE 18 HB ILE 18 7.499 -1.238 7.092 110 HG12 ILE 18 2HG1 ILE 18 6.347 1.433 6.256 111 HG13 ILE 18 1HG1 ILE 18 6.645 0.081 5.169 112 HG21 ILE 18 1HG2 ILE 18 7.184 1.345 8.616 113 HG22 ILE 18 2HG2 ILE 18 7.969 -0.118 9.208 114 HG23 ILE 18 3HG2 ILE 18 6.240 -0.125 8.861 115 HD11 ILE 18 3HD1 ILE 18 4.307 0.202 5.775 116 HD12 ILE 18 1HD1 ILE 18 4.726 0.104 7.486 117 HD13 ILE 18 2HD1 ILE 18 5.035 -1.268 6.422 118 H GLY 19 H GLY 19 10.740 0.625 4.993 119 HA2 GLY 19 2HA GLY 19 12.383 -0.868 4.235 120 HA3 GLY 19 1HA GLY 19 11.494 -2.189 4.964 121 H ARG 20 H ARG 20 8.987 -1.216 3.546 122 HA ARG 20 HA ARG 20 9.241 -2.938 1.308 123 HB2 ARG 20 2HB ARG 20 7.100 -0.965 2.096 124 HB3 ARG 20 1HB ARG 20 6.977 -1.989 0.673 125 HG2 ARG 20 2HG ARG 20 5.821 -3.245 2.182 126 HG3 ARG 20 1HG ARG 20 7.440 -3.908 2.402 127 HD2 ARG 20 2HD ARG 20 7.767 -2.755 4.410 128 HD3 ARG 20 1HD ARG 20 6.453 -1.625 4.078 129 HE ARG 20 HE ARG 20 5.041 -3.826 4.262 130 HH11 ARG 20 1HH1 ARG 20 7.804 -2.904 6.241 131 HH12 ARG 20 2HH1 ARG 20 7.225 -3.740 7.643 132 HH21 ARG 20 1HH2 ARG 20 4.287 -4.914 6.103 133 HH22 ARG 20 2HH2 ARG 20 5.231 -4.888 7.567 134 H LYS 21 H LYS 21 9.238 -2.470 -0.914 135 HA LYS 21 HA LYS 21 10.286 0.190 -1.549 136 HB2 LYS 21 2HB LYS 21 10.711 -2.482 -2.851 137 HB3 LYS 21 1HB LYS 21 11.129 -0.977 -3.661 138 HG2 LYS 21 2HG LYS 21 12.217 -1.884 -1.001 139 HG3 LYS 21 1HG LYS 21 13.058 -1.994 -2.550 140 HD2 LYS 21 2HD LYS 21 13.558 0.208 -2.581 141 HD3 LYS 21 1HD LYS 21 12.011 0.672 -1.870 142 HE2 LYS 21 2HE LYS 21 14.224 -0.623 -0.293 143 HE3 LYS 21 1HE LYS 21 14.065 1.124 -0.467 144 HZ1 LYS 21 3HZ LYS 21 11.671 0.684 0.382 145 HZ2 LYS 21 1HZ LYS 21 12.952 0.718 1.487 146 HZ3 LYS 21 2HZ LYS 21 12.321 -0.763 0.971 147 H PHE 22 H PHE 22 7.920 -2.174 -2.485 148 HA PHE 22 HA PHE 22 6.497 -0.081 -3.944 149 HB2 PHE 22 2HB PHE 22 6.433 -2.844 -5.076 150 HB3 PHE 22 1HB PHE 22 6.106 -1.313 -5.866 151 HD1 PHE 22 1HD PHE 22 7.990 0.161 -6.533 152 HD2 PHE 22 2HD PHE 22 8.605 -3.799 -5.097 153 HE1 PHE 22 1HE PHE 22 10.253 0.169 -7.495 154 HE2 PHE 22 2HE PHE 22 10.871 -3.796 -6.054 155 HZ PHE 22 HZ PHE 22 11.698 -1.811 -7.254 156 H GLY 23 H GLY 23 4.241 -0.515 -4.178 157 HA2 GLY 23 2HA GLY 23 2.779 -2.621 -3.249 158 HA3 GLY 23 1HA GLY 23 3.133 -1.676 -1.810 159 H PHE 24 H PHE 24 0.567 -2.183 -2.880 160 HA PHE 24 HA PHE 24 -0.511 0.444 -2.852 161 HB2 PHE 24 2HB PHE 24 -1.595 0.429 -5.060 162 HB3 PHE 24 1HB PHE 24 0.157 0.438 -5.217 163 HD1 PHE 24 2HD PHE 24 1.340 -1.669 -5.859 164 HD2 PHE 24 1HD PHE 24 -2.902 -1.318 -5.957 165 HE1 PHE 24 2HE PHE 24 1.214 -3.640 -7.326 166 HE2 PHE 24 1HE PHE 24 -3.033 -3.287 -7.426 167 HZ PHE 24 HZ PHE 24 -0.974 -4.450 -8.112 168 H CYS 25 H CYS 25 -3.010 0.209 -3.388 169 HA CYS 25 HA CYS 25 -3.996 -1.699 -1.556 170 HB2 CYS 25 2HB CYS 25 -5.642 -0.272 -3.646 171 HB3 CYS 25 1HB CYS 25 -6.169 -0.861 -2.072 172 H ALA 26 H ALA 26 -4.042 -3.805 -1.889 173 HA ALA 26 HA ALA 26 -5.053 -4.783 -4.476 174 HB1 ALA 26 1HB ALA 26 -3.437 -6.604 -4.457 175 HB2 ALA 26 2HB ALA 26 -2.731 -5.980 -2.967 176 HB3 ALA 26 3HB ALA 26 -2.617 -5.043 -4.455 177 H GLY 27 H GLY 27 -7.073 -5.262 -3.678 178 HA2 GLY 27 2HA GLY 27 -7.373 -7.749 -2.364 179 HA3 GLY 27 1HA GLY 27 -7.672 -6.439 -1.231 180 HA PRO 28 HA PRO 28 -11.160 -6.840 -4.616 181 HB2 PRO 28 2HB PRO 28 -12.135 -9.387 -4.514 182 HB3 PRO 28 1HB PRO 28 -10.935 -8.848 -5.693 183 HG2 PRO 28 2HG PRO 28 -10.546 -10.373 -3.151 184 HG3 PRO 28 1HG PRO 28 -9.755 -10.591 -4.723 185 HD2 PRO 28 2HD PRO 28 -8.569 -9.319 -2.641 186 HD3 PRO 28 1HD PRO 28 -8.240 -8.903 -4.334 187 H LEU 29 H LEU 29 -11.001 -8.716 -1.611 188 HA LEU 29 HA LEU 29 -13.756 -8.190 -0.953 189 HB2 LEU 29 2HB LEU 29 -11.508 -9.370 0.688 190 HB3 LEU 29 1HB LEU 29 -13.173 -9.257 1.223 191 HG LEU 29 HG LEU 29 -13.534 -10.605 -1.085 192 HD11 LEU 29 1HD1 LEU 29 -10.843 -11.486 -0.052 193 HD12 LEU 29 2HD1 LEU 29 -11.158 -10.702 -1.600 194 HD13 LEU 29 3HD1 LEU 29 -11.800 -12.313 -1.281 195 HD21 LEU 29 3HD2 LEU 29 -13.666 -12.625 0.291 196 HD22 LEU 29 1HD2 LEU 29 -14.396 -11.238 1.101 197 HD23 LEU 29 2HD2 LEU 29 -12.795 -11.800 1.584 198 H ARG 30 H ARG 30 -10.586 -7.055 0.051 199 HA ARG 30 HA ARG 30 -11.815 -4.636 1.136 200 HB2 ARG 30 2HB ARG 30 -9.868 -6.426 2.590 201 HB3 ARG 30 1HB ARG 30 -10.074 -4.732 3.009 202 HG2 ARG 30 2HG ARG 30 -12.137 -6.916 3.167 203 HG3 ARG 30 1HG ARG 30 -11.390 -6.035 4.501 204 HD2 ARG 30 2HD ARG 30 -12.425 -3.956 3.670 205 HD3 ARG 30 1HD ARG 30 -13.219 -4.883 2.399 206 HE ARG 30 HE ARG 30 -13.790 -5.068 5.279 207 HH11 ARG 30 1HH1 ARG 30 -14.653 -5.763 1.952 208 HH12 ARG 30 2HH1 ARG 30 -16.281 -6.224 2.342 209 HH21 ARG 30 1HH2 ARG 30 -15.935 -5.687 5.793 210 HH22 ARG 30 2HH2 ARG 30 -17.009 -6.184 4.529 211 H ALA 31 H ALA 31 -11.003 -3.103 -0.127 212 HA ALA 31 HA ALA 31 -8.538 -3.395 -1.531 213 HB1 ALA 31 1HB ALA 31 -10.448 -2.196 -2.482 214 HB2 ALA 31 2HB ALA 31 -9.003 -1.187 -2.427 215 HB3 ALA 31 3HB ALA 31 -10.285 -0.957 -1.238 216 H THR 32 H THR 32 -7.279 -3.756 0.491 217 HA THR 32 HA THR 32 -6.490 -1.239 1.789 218 HB THR 32 HB THR 32 -7.160 -3.124 3.281 219 HG1 THR 32 1HG THR 32 -4.675 -3.073 4.156 220 HG21 THR 32 3HG2 THR 32 -6.361 -4.996 1.934 221 HG22 THR 32 1HG2 THR 32 -5.637 -5.035 3.543 222 HG23 THR 32 2HG2 THR 32 -4.695 -4.467 2.165 223 H CYS 33 H CYS 33 -4.133 -0.924 2.130 224 HA CYS 33 HA CYS 33 -2.742 -1.330 -0.327 225 HB2 CYS 33 2HB CYS 33 -1.682 -0.314 2.314 226 HB3 CYS 33 1HB CYS 33 -0.851 -0.207 0.772 227 H THR 34 H THR 34 -1.431 -2.851 -0.901 228 HA THR 34 HA THR 34 -0.331 -4.690 1.122 229 HB THR 34 HB THR 34 -1.015 -5.612 -1.652 230 HG1 THR 34 1HG THR 34 -2.764 -5.092 0.479 231 HG21 THR 34 3HG2 THR 34 0.370 -7.048 -0.220 232 HG22 THR 34 1HG2 THR 34 -1.200 -7.785 -0.541 233 HG23 THR 34 2HG2 THR 34 -0.886 -7.022 1.018 234 H CYS 35 H CYS 35 1.831 -4.811 1.042 235 HA CYS 35 HA CYS 35 3.151 -3.792 -1.375 236 HB2 CYS 35 2HB CYS 35 3.999 -3.709 1.517 237 HB3 CYS 35 1HB CYS 35 5.082 -3.316 0.184 238 H GLY 36 H GLY 36 5.433 -4.664 -1.649 239 HA2 GLY 36 2HA GLY 36 5.333 -7.415 -2.144 240 HA3 GLY 36 1HA GLY 36 6.794 -6.443 -2.136 241 H LYS 37 H LYS 37 6.404 -5.695 0.676 242 HA LYS 37 HA LYS 37 7.194 -8.251 1.900 243 HB2 LYS 37 2HB LYS 37 8.137 -5.446 2.529 244 HB3 LYS 37 1HB LYS 37 8.520 -6.855 3.508 245 HG2 LYS 37 2HG LYS 37 9.527 -7.853 1.398 246 HG3 LYS 37 1HG LYS 37 9.409 -6.232 0.712 247 HD2 LYS 37 2HD LYS 37 11.613 -6.495 1.607 248 HD3 LYS 37 1HD LYS 37 10.727 -5.395 2.665 249 HE2 LYS 37 2HE LYS 37 10.313 -7.199 4.236 250 HE3 LYS 37 1HE LYS 37 11.108 -8.347 3.160 251 HZ1 LYS 37 3HZ LYS 37 12.407 -6.030 4.491 252 HZ2 LYS 37 1HZ LYS 37 13.174 -7.113 3.442 253 HZ3 LYS 37 2HZ LYS 37 12.584 -7.652 4.931 254 H GLN 38 H GLN 38 4.531 -7.312 1.650 255 HA GLN 38 HA GLN 38 2.616 -7.090 2.829 256 HB2 GLN 38 2HB GLN 38 4.476 -8.211 4.886 257 HB3 GLN 38 1HB GLN 38 2.899 -7.634 5.399 258 HG2 GLN 38 2HG GLN 38 2.898 -10.034 4.980 259 HG3 GLN 38 1HG GLN 38 1.809 -9.182 3.888 260 HE21 GLN 38 1HE2 GLN 38 4.882 -10.824 4.157 261 HE22 GLN 38 2HE2 GLN 38 5.075 -11.146 2.471 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -8.680 2.726 -3.127 2 H2 GLY 1 2HT GLY 1 -10.235 2.536 -2.488 3 H3 GLY 1 3HT GLY 1 -9.641 1.414 -3.607 4 HA2 GLY 1 1HA GLY 1 -9.548 0.457 -1.420 5 HA3 GLY 1 2HA GLY 1 -7.918 0.746 -2.023 6 H PHE 2 H PHE 2 -7.279 0.711 0.238 7 HA PHE 2 HA PHE 2 -8.168 2.459 2.202 8 HB2 PHE 2 2HB PHE 2 -6.625 0.581 2.619 9 HB3 PHE 2 1HB PHE 2 -5.349 1.441 1.766 10 HD1 PHE 2 1HD PHE 2 -7.630 1.745 4.686 11 HD2 PHE 2 2HD PHE 2 -3.906 2.823 2.932 12 HE1 PHE 2 1HE PHE 2 -6.949 2.813 6.797 13 HE2 PHE 2 2HE PHE 2 -3.218 3.893 5.037 14 HZ PHE 2 HZ PHE 2 -4.740 3.888 6.974 15 H GLY 3 H GLY 3 -5.483 2.926 -0.092 16 HA2 GLY 3 2HA GLY 3 -5.643 5.815 0.486 17 HA3 GLY 3 1HA GLY 3 -4.163 4.992 0.010 18 H CYS 4 H CYS 4 -4.555 3.671 -2.129 19 HA CYS 4 HA CYS 4 -4.828 5.521 -4.205 20 HB2 CYS 4 2HB CYS 4 -5.216 2.967 -5.301 21 HB3 CYS 4 1HB CYS 4 -3.690 3.836 -5.144 22 HA PRO 5 HA PRO 5 -5.228 5.691 -6.159 23 HB2 PRO 5 2HB PRO 5 -6.927 7.161 -7.847 24 HB3 PRO 5 1HB PRO 5 -6.249 5.567 -8.173 25 HG2 PRO 5 2HG PRO 5 -8.964 6.178 -7.782 26 HG3 PRO 5 1HG PRO 5 -8.243 4.560 -7.802 27 HD2 PRO 5 2HD PRO 5 -9.001 6.271 -5.480 28 HD3 PRO 5 1HD PRO 5 -9.039 4.501 -5.644 29 H PHE 6 H PHE 6 -7.363 7.164 -4.100 30 HA PHE 6 HA PHE 6 -7.015 9.910 -4.688 31 HB2 PHE 6 2HB PHE 6 -7.650 8.617 -2.026 32 HB3 PHE 6 1HB PHE 6 -7.890 10.312 -2.436 33 HD1 PHE 6 1HD PHE 6 -9.526 10.866 -4.299 34 HD2 PHE 6 2HD PHE 6 -9.309 7.040 -2.449 35 HE1 PHE 6 1HE PHE 6 -11.793 10.352 -5.106 36 HE2 PHE 6 2HE PHE 6 -11.575 6.518 -3.253 37 HZ PHE 6 HZ PHE 6 -12.820 8.175 -4.585 38 H ASN 7 H ASN 7 -5.706 8.125 -1.904 39 HA ASN 7 HA ASN 7 -3.375 9.915 -1.967 40 HB2 ASN 7 2HB ASN 7 -4.721 8.403 0.262 41 HB3 ASN 7 1HB ASN 7 -3.052 8.944 0.421 42 HD21 ASN 7 1HD2 ASN 7 -2.744 11.306 -0.218 43 HD22 ASN 7 2HD2 ASN 7 -3.920 12.410 0.422 44 H GLU 8 H GLU 8 -3.022 8.290 -3.852 45 HA GLU 8 HA GLU 8 -2.120 5.679 -3.236 46 HB2 GLU 8 2HB GLU 8 -2.882 6.658 -5.499 47 HB3 GLU 8 1HB GLU 8 -1.233 7.249 -5.638 48 HG2 GLU 8 2HG GLU 8 -0.363 5.172 -5.947 49 HG3 GLU 8 1HG GLU 8 -1.624 4.382 -4.999 50 H ASN 9 H ASN 9 -0.468 8.758 -3.687 51 HA ASN 9 HA ASN 9 2.167 7.746 -3.507 52 HB2 ASN 9 2HB ASN 9 0.933 10.462 -3.139 53 HB3 ASN 9 1HB ASN 9 2.624 10.202 -2.725 54 HD21 ASN 9 1HD2 ASN 9 1.468 11.875 -4.791 55 HD22 ASN 9 2HD2 ASN 9 2.139 11.328 -6.285 56 H GLU 10 H GLU 10 -0.172 8.839 -1.127 57 HA GLU 10 HA GLU 10 1.631 8.789 1.077 58 HB2 GLU 10 2HB GLU 10 -1.385 8.756 0.926 59 HB3 GLU 10 1HB GLU 10 -0.500 8.796 2.444 60 HG2 GLU 10 2HG GLU 10 -1.206 11.018 1.861 61 HG3 GLU 10 1HG GLU 10 0.549 10.913 1.758 62 H CYS 11 H CYS 11 -0.652 6.490 -0.303 63 HA CYS 11 HA CYS 11 -0.371 4.473 1.660 64 HB2 CYS 11 2HB CYS 11 -2.211 4.357 0.122 65 HB3 CYS 11 1HB CYS 11 -1.138 4.405 -1.269 66 H HIS 12 H HIS 12 1.263 5.091 -1.401 67 HA HIS 12 HA HIS 12 3.028 2.896 -1.310 68 HB2 HIS 12 2HB HIS 12 2.447 4.460 -3.283 69 HB3 HIS 12 1HB HIS 12 3.672 5.535 -2.619 70 HD1 HIS 12 1HD HIS 12 3.261 2.736 -4.874 71 HD2 HIS 12 2HD HIS 12 6.296 4.213 -2.462 72 HE1 HIS 12 1HE HIS 12 5.384 1.696 -5.742 73 HE2 HIS 12 2HE HIS 12 7.187 2.485 -4.170 74 H ALA 13 H ALA 13 3.313 6.257 -0.207 75 HA ALA 13 HA ALA 13 5.980 6.127 0.685 76 HB1 ALA 13 1HB ALA 13 3.740 7.863 1.726 77 HB2 ALA 13 2HB ALA 13 4.791 8.243 0.361 78 HB3 ALA 13 3HB ALA 13 5.465 8.125 1.987 79 H HIS 14 H HIS 14 2.900 5.446 2.292 80 HA HIS 14 HA HIS 14 3.823 4.991 4.879 81 HB2 HIS 14 2HB HIS 14 1.440 5.005 4.371 82 HB3 HIS 14 1HB HIS 14 1.610 3.573 3.373 83 HD1 HIS 14 1HD HIS 14 2.534 4.387 6.993 84 HD2 HIS 14 2HD HIS 14 0.711 1.421 4.716 85 HE1 HIS 14 1HE HIS 14 1.924 2.565 8.618 86 HE2 HIS 14 2HE HIS 14 0.960 0.723 7.194 87 H CYS 15 H CYS 15 3.361 2.692 2.232 88 HA CYS 15 HA CYS 15 4.473 0.450 3.454 89 HB2 CYS 15 2HB CYS 15 4.066 1.307 0.644 90 HB3 CYS 15 1HB CYS 15 5.199 -0.013 0.909 91 H LEU 16 H LEU 16 6.027 3.063 1.736 92 HA LEU 16 HA LEU 16 8.646 2.019 1.694 93 HB2 LEU 16 2HB LEU 16 7.363 4.627 1.244 94 HB3 LEU 16 1HB LEU 16 9.026 4.717 1.786 95 HG LEU 16 HG LEU 16 9.816 3.538 -0.124 96 HD11 LEU 16 1HD1 LEU 16 8.331 2.563 -1.794 97 HD12 LEU 16 2HD1 LEU 16 6.931 3.012 -0.819 98 HD13 LEU 16 3HD1 LEU 16 8.086 1.825 -0.212 99 HD21 LEU 16 3HD2 LEU 16 7.659 5.477 -0.948 100 HD22 LEU 16 1HD2 LEU 16 8.956 4.898 -1.995 101 HD23 LEU 16 2HD2 LEU 16 9.338 5.864 -0.569 102 H SER 17 H SER 17 6.795 3.618 4.159 103 HA SER 17 HA SER 17 8.997 4.371 5.808 104 HB2 SER 17 2HB SER 17 6.187 3.895 6.792 105 HB3 SER 17 1HB SER 17 7.389 5.028 7.409 106 HG SER 17 HG SER 17 6.802 5.463 4.780 107 H ILE 18 H ILE 18 7.385 1.367 5.235 108 HA ILE 18 HA ILE 18 8.421 0.328 7.780 109 HB ILE 18 HB ILE 18 7.077 -1.799 6.709 110 HG12 ILE 18 2HG1 ILE 18 5.484 0.688 6.044 111 HG13 ILE 18 1HG1 ILE 18 6.192 -0.412 4.867 112 HG21 ILE 18 1HG2 ILE 18 5.382 -1.317 8.381 113 HG22 ILE 18 2HG2 ILE 18 5.934 0.354 8.485 114 HG23 ILE 18 3HG2 ILE 18 6.989 -0.958 9.011 115 HD11 ILE 18 3HD1 ILE 18 3.806 -0.796 5.144 116 HD12 ILE 18 1HD1 ILE 18 4.051 -1.117 6.861 117 HD13 ILE 18 2HD1 ILE 18 4.744 -2.200 5.653 118 H GLY 19 H GLY 19 10.040 0.982 5.433 119 HA2 GLY 19 2HA GLY 19 12.080 0.068 4.777 120 HA3 GLY 19 1HA GLY 19 11.565 -1.485 5.408 121 H ARG 20 H ARG 20 9.011 -1.133 3.747 122 HA ARG 20 HA ARG 20 9.923 -2.657 1.532 123 HB2 ARG 20 2HB ARG 20 7.260 -1.386 2.157 124 HB3 ARG 20 1HB ARG 20 7.541 -2.337 0.705 125 HG2 ARG 20 2HG ARG 20 6.671 -3.936 2.078 126 HG3 ARG 20 1HG ARG 20 8.388 -4.130 2.433 127 HD2 ARG 20 2HD ARG 20 8.208 -3.027 4.484 128 HD3 ARG 20 1HD ARG 20 6.669 -2.283 4.054 129 HE ARG 20 HE ARG 20 5.815 -4.711 4.116 130 HH11 ARG 20 1HH1 ARG 20 8.325 -3.406 6.206 131 HH12 ARG 20 2HH1 ARG 20 8.005 -4.530 7.486 132 HH21 ARG 20 1HH2 ARG 20 5.381 -6.168 5.799 133 HH22 ARG 20 2HH2 ARG 20 6.329 -6.101 7.260 134 H LYS 21 H LYS 21 9.725 -2.093 -0.742 135 HA LYS 21 HA LYS 21 10.325 0.746 -1.165 136 HB2 LYS 21 2HB LYS 21 11.117 -1.699 -2.734 137 HB3 LYS 21 1HB LYS 21 11.389 -0.057 -3.306 138 HG2 LYS 21 2HG LYS 21 12.452 -1.134 -0.704 139 HG3 LYS 21 1HG LYS 21 13.364 -1.101 -2.215 140 HD2 LYS 21 2HD LYS 21 13.732 1.122 -2.092 141 HD3 LYS 21 1HD LYS 21 12.126 1.455 -1.440 142 HE2 LYS 21 2HE LYS 21 14.325 0.194 0.182 143 HE3 LYS 21 1HE LYS 21 14.088 1.938 0.089 144 HZ1 LYS 21 3HZ LYS 21 12.421 -0.102 1.385 145 HZ2 LYS 21 1HZ LYS 21 11.659 1.278 0.763 146 HZ3 LYS 21 2HZ LYS 21 12.869 1.433 1.934 147 H PHE 22 H PHE 22 8.021 -1.636 -1.821 148 HA PHE 22 HA PHE 22 6.610 0.232 -3.575 149 HB2 PHE 22 2HB PHE 22 6.374 -2.694 -4.142 150 HB3 PHE 22 1HB PHE 22 6.047 -1.333 -5.197 151 HD1 PHE 22 2HD PHE 22 7.935 -0.083 -6.222 152 HD2 PHE 22 1HD PHE 22 8.508 -3.730 -4.102 153 HE1 PHE 22 2HE PHE 22 10.142 -0.345 -7.276 154 HE2 PHE 22 1HE PHE 22 10.717 -3.997 -5.154 155 HZ PHE 22 HZ PHE 22 11.536 -2.304 -6.742 156 H GLY 23 H GLY 23 4.302 -0.155 -3.613 157 HA2 GLY 23 2HA GLY 23 2.928 -1.987 -2.053 158 HA3 GLY 23 1HA GLY 23 3.280 -0.616 -1.011 159 H PHE 24 H PHE 24 0.753 -1.723 -2.124 160 HA PHE 24 HA PHE 24 -0.503 0.786 -2.712 161 HB2 PHE 24 2HB PHE 24 -1.497 0.094 -4.870 162 HB3 PHE 24 1HB PHE 24 0.250 0.262 -4.974 163 HD1 PHE 24 1HD PHE 24 1.679 -1.762 -5.094 164 HD2 PHE 24 2HD PHE 24 -2.569 -1.988 -5.258 165 HE1 PHE 24 1HE PHE 24 1.838 -4.036 -6.021 166 HE2 PHE 24 2HE PHE 24 -2.416 -4.263 -6.182 167 HZ PHE 24 HZ PHE 24 -0.210 -5.289 -6.564 168 H CYS 25 H CYS 25 -2.918 0.454 -2.924 169 HA CYS 25 HA CYS 25 -3.716 -1.412 -0.901 170 HB2 CYS 25 2HB CYS 25 -6.009 -0.497 -1.328 171 HB3 CYS 25 1HB CYS 25 -4.805 0.706 -0.887 172 H ALA 26 H ALA 26 -3.966 -3.464 -1.278 173 HA ALA 26 HA ALA 26 -5.321 -4.295 -3.756 174 HB1 ALA 26 1HB ALA 26 -2.989 -5.689 -2.441 175 HB2 ALA 26 2HB ALA 26 -2.936 -4.781 -3.952 176 HB3 ALA 26 3HB ALA 26 -3.877 -6.268 -3.850 177 H GLY 27 H GLY 27 -5.959 -6.739 -3.465 178 HA2 GLY 27 2HA GLY 27 -6.639 -8.411 -1.811 179 HA3 GLY 27 1HA GLY 27 -7.084 -7.076 -0.758 180 HA PRO 28 HA PRO 28 -10.484 -8.318 -4.059 181 HB2 PRO 28 2HB PRO 28 -11.149 -10.701 -2.447 182 HB3 PRO 28 1HB PRO 28 -11.013 -10.536 -4.199 183 HG2 PRO 28 2HG PRO 28 -9.171 -11.863 -2.778 184 HG3 PRO 28 1HG PRO 28 -8.728 -10.885 -4.190 185 HD2 PRO 28 2HD PRO 28 -8.482 -10.230 -1.277 186 HD3 PRO 28 1HD PRO 28 -7.339 -9.919 -2.601 187 H LEU 29 H LEU 29 -10.348 -8.871 -0.584 188 HA LEU 29 HA LEU 29 -12.921 -7.472 -0.310 189 HB2 LEU 29 2HB LEU 29 -11.727 -9.595 1.481 190 HB3 LEU 29 1HB LEU 29 -13.199 -8.706 1.824 191 HG LEU 29 HG LEU 29 -12.819 -10.532 -0.551 192 HD11 LEU 29 1HD1 LEU 29 -14.279 -12.080 0.646 193 HD12 LEU 29 2HD1 LEU 29 -14.276 -11.006 2.045 194 HD13 LEU 29 3HD1 LEU 29 -12.782 -11.792 1.532 195 HD21 LEU 29 3HD2 LEU 29 -15.273 -9.172 0.560 196 HD22 LEU 29 1HD2 LEU 29 -15.248 -10.324 -0.776 197 HD23 LEU 29 2HD2 LEU 29 -14.446 -8.763 -0.943 198 H ARG 30 H ARG 30 -12.643 -5.505 0.452 199 HA ARG 30 HA ARG 30 -11.895 -3.722 1.641 200 HB2 ARG 30 2HB ARG 30 -11.059 -5.986 3.404 201 HB3 ARG 30 1HB ARG 30 -10.466 -4.370 3.760 202 HG2 ARG 30 2HG ARG 30 -13.378 -5.075 3.473 203 HG3 ARG 30 1HG ARG 30 -12.512 -5.007 5.009 204 HD2 ARG 30 2HD ARG 30 -12.998 -2.746 3.078 205 HD3 ARG 30 1HD ARG 30 -13.664 -2.929 4.700 206 HE ARG 30 HE ARG 30 -10.840 -2.924 4.807 207 HH11 ARG 30 1HH1 ARG 30 -13.553 -0.768 4.308 208 HH12 ARG 30 2HH1 ARG 30 -12.715 0.634 4.883 209 HH21 ARG 30 1HH2 ARG 30 -9.724 -1.079 5.568 210 HH22 ARG 30 2HH2 ARG 30 -10.528 0.456 5.607 211 H ALA 31 H ALA 31 -10.606 -3.632 -0.432 212 HA ALA 31 HA ALA 31 -7.939 -4.334 -0.662 213 HB1 ALA 31 1HB ALA 31 -9.323 -3.536 -2.519 214 HB2 ALA 31 2HB ALA 31 -7.795 -2.662 -2.414 215 HB3 ALA 31 3HB ALA 31 -9.283 -1.909 -1.841 216 H THR 32 H THR 32 -6.681 -3.979 1.080 217 HA THR 32 HA THR 32 -6.309 -1.205 1.991 218 HB THR 32 HB THR 32 -5.376 -3.699 3.426 219 HG1 THR 32 1HG THR 32 -7.687 -3.718 3.138 220 HG21 THR 32 3HG2 THR 32 -5.396 -2.239 5.394 221 HG22 THR 32 1HG2 THR 32 -5.950 -0.893 4.398 222 HG23 THR 32 2HG2 THR 32 -4.349 -1.584 4.136 223 H CYS 33 H CYS 33 -4.029 -0.566 2.427 224 HA CYS 33 HA CYS 33 -2.417 -1.078 0.201 225 HB2 CYS 33 2HB CYS 33 -1.633 0.084 2.862 226 HB3 CYS 33 1HB CYS 33 -0.624 0.102 1.429 227 H THR 34 H THR 34 -1.255 -2.638 -0.314 228 HA THR 34 HA THR 34 -0.051 -4.401 1.711 229 HB THR 34 HB THR 34 -0.618 -5.349 -1.078 230 HG1 THR 34 1HG THR 34 -2.526 -4.517 0.603 231 HG21 THR 34 3HG2 THR 34 0.727 -6.742 0.412 232 HG22 THR 34 1HG2 THR 34 -0.819 -7.517 0.062 233 HG23 THR 34 2HG2 THR 34 -0.562 -6.719 1.615 234 H CYS 35 H CYS 35 2.113 -4.350 1.653 235 HA CYS 35 HA CYS 35 3.401 -2.904 -0.492 236 HB2 CYS 35 2HB CYS 35 4.769 -4.201 1.851 237 HB3 CYS 35 1HB CYS 35 5.307 -2.824 0.894 238 H GLY 36 H GLY 36 5.454 -3.768 -1.421 239 HA2 GLY 36 2HA GLY 36 5.022 -6.050 -2.923 240 HA3 GLY 36 1HA GLY 36 6.601 -5.336 -2.644 241 H LYS 37 H LYS 37 6.917 -5.788 0.067 242 HA LYS 37 HA LYS 37 7.082 -8.721 0.122 243 HB2 LYS 37 2HB LYS 37 8.815 -6.586 1.359 244 HB3 LYS 37 1HB LYS 37 8.871 -8.256 1.905 245 HG2 LYS 37 2HG LYS 37 9.389 -8.913 -0.460 246 HG3 LYS 37 1HG LYS 37 9.559 -7.193 -0.822 247 HD2 LYS 37 2HD LYS 37 11.350 -6.986 0.780 248 HD3 LYS 37 1HD LYS 37 11.122 -8.656 1.303 249 HE2 LYS 37 2HE LYS 37 11.709 -9.406 -0.982 250 HE3 LYS 37 1HE LYS 37 12.031 -7.729 -1.419 251 HZ1 LYS 37 3HZ LYS 37 14.062 -8.909 -0.842 252 HZ2 LYS 37 1HZ LYS 37 13.448 -9.261 0.695 253 HZ3 LYS 37 2HZ LYS 37 13.767 -7.658 0.258 254 H GLN 38 H GLN 38 4.693 -7.577 0.761 255 HA GLN 38 HA GLN 38 3.042 -7.534 2.305 256 HB2 GLN 38 2HB GLN 38 4.174 -9.860 2.715 257 HB3 GLN 38 1HB GLN 38 4.751 -9.116 4.200 258 HG2 GLN 38 2HG GLN 38 2.533 -8.763 4.981 259 HG3 GLN 38 1HG GLN 38 1.849 -9.212 3.420 260 HE21 GLN 38 1HE2 GLN 38 1.819 -11.381 2.816 261 HE22 GLN 38 2HE2 GLN 38 1.989 -12.651 3.975 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -9.172 2.770 -2.448 2 H2 GLY 1 2HT GLY 1 -10.595 2.685 -1.539 3 H3 GLY 1 3HT GLY 1 -10.327 1.576 -2.788 4 HA2 GLY 1 1HA GLY 1 -9.914 0.466 -0.736 5 HA3 GLY 1 2HA GLY 1 -8.378 0.722 -1.558 6 H PHE 2 H PHE 2 -7.275 0.598 0.458 7 HA PHE 2 HA PHE 2 -7.854 2.243 2.669 8 HB2 PHE 2 2HB PHE 2 -6.352 0.215 2.660 9 HB3 PHE 2 1HB PHE 2 -5.124 1.206 1.879 10 HD1 PHE 2 1HD PHE 2 -7.305 1.163 4.900 11 HD2 PHE 2 2HD PHE 2 -3.584 2.312 3.185 12 HE1 PHE 2 1HE PHE 2 -6.527 1.923 7.108 13 HE2 PHE 2 2HE PHE 2 -2.798 3.073 5.389 14 HZ PHE 2 HZ PHE 2 -4.270 2.879 7.354 15 H GLY 3 H GLY 3 -5.351 2.616 0.160 16 HA2 GLY 3 2HA GLY 3 -5.302 5.499 0.780 17 HA3 GLY 3 1HA GLY 3 -3.953 4.603 0.093 18 H CYS 4 H CYS 4 -4.717 3.352 -1.989 19 HA CYS 4 HA CYS 4 -5.171 5.245 -3.990 20 HB2 CYS 4 2HB CYS 4 -5.938 2.484 -4.649 21 HB3 CYS 4 1HB CYS 4 -4.710 3.515 -5.376 22 HA PRO 5 HA PRO 5 -5.837 5.785 -5.638 23 HB2 PRO 5 2HB PRO 5 -7.522 7.247 -7.176 24 HB3 PRO 5 1HB PRO 5 -7.215 5.532 -7.443 25 HG2 PRO 5 2HG PRO 5 -9.643 6.831 -6.522 26 HG3 PRO 5 1HG PRO 5 -9.402 5.146 -7.002 27 HD2 PRO 5 2HD PRO 5 -9.472 6.323 -4.316 28 HD3 PRO 5 1HD PRO 5 -9.611 4.621 -4.802 29 H PHE 6 H PHE 6 -7.700 7.121 -3.272 30 HA PHE 6 HA PHE 6 -7.504 9.895 -3.801 31 HB2 PHE 6 2HB PHE 6 -7.908 8.374 -1.225 32 HB3 PHE 6 1HB PHE 6 -7.967 10.129 -1.334 33 HD1 PHE 6 1HD PHE 6 -9.741 11.213 -2.692 34 HD2 PHE 6 2HD PHE 6 -9.738 7.036 -1.887 35 HE1 PHE 6 1HE PHE 6 -12.122 11.100 -3.302 36 HE2 PHE 6 2HE PHE 6 -12.119 6.912 -2.496 37 HZ PHE 6 HZ PHE 6 -13.315 8.946 -3.206 38 H ASN 7 H ASN 7 -5.627 7.786 -1.639 39 HA ASN 7 HA ASN 7 -3.372 9.659 -1.912 40 HB2 ASN 7 2HB ASN 7 -4.350 8.366 0.647 41 HB3 ASN 7 1HB ASN 7 -2.803 9.187 0.489 42 HD21 ASN 7 1HD2 ASN 7 -2.753 11.433 0.327 43 HD22 ASN 7 2HD2 ASN 7 -4.130 12.407 0.695 44 H GLU 8 H GLU 8 -3.401 7.664 -3.577 45 HA GLU 8 HA GLU 8 -2.451 5.185 -2.611 46 HB2 GLU 8 2HB GLU 8 -1.568 5.284 -5.206 47 HB3 GLU 8 1HB GLU 8 -3.155 4.742 -4.687 48 HG2 GLU 8 2HG GLU 8 -3.596 6.233 -6.410 49 HG3 GLU 8 1HG GLU 8 -3.888 7.167 -4.945 50 H ASN 9 H ASN 9 -0.828 8.022 -3.953 51 HA ASN 9 HA ASN 9 1.787 6.956 -3.866 52 HB2 ASN 9 2HB ASN 9 0.613 9.690 -4.079 53 HB3 ASN 9 1HB ASN 9 2.315 9.559 -3.648 54 HD21 ASN 9 1HD2 ASN 9 -0.086 8.926 -6.098 55 HD22 ASN 9 2HD2 ASN 9 1.034 8.683 -7.394 56 H GLU 10 H GLU 10 -0.197 8.596 -1.495 57 HA GLU 10 HA GLU 10 1.846 9.031 0.427 58 HB2 GLU 10 2HB GLU 10 -1.101 8.665 0.986 59 HB3 GLU 10 1HB GLU 10 0.071 9.540 1.963 60 HG2 GLU 10 2HG GLU 10 -0.799 10.329 -0.808 61 HG3 GLU 10 1HG GLU 10 -1.425 11.019 0.688 62 H CYS 11 H CYS 11 -0.535 6.450 -0.056 63 HA CYS 11 HA CYS 11 0.237 4.930 2.204 64 HB2 CYS 11 2HB CYS 11 -1.843 4.727 0.544 65 HB3 CYS 11 1HB CYS 11 -0.793 3.553 -0.243 66 H HIS 12 H HIS 12 1.339 5.122 -1.110 67 HA HIS 12 HA HIS 12 3.093 2.894 -1.064 68 HB2 HIS 12 2HB HIS 12 2.187 4.161 -3.101 69 HB3 HIS 12 1HB HIS 12 3.426 5.364 -2.771 70 HD1 HIS 12 1HD HIS 12 2.876 2.604 -4.875 71 HD2 HIS 12 2HD HIS 12 6.115 3.861 -2.602 72 HE1 HIS 12 1HE HIS 12 4.894 1.511 -5.907 73 HE2 HIS 12 2HE HIS 12 6.852 2.359 -4.572 74 H ALA 13 H ALA 13 3.557 6.377 -0.522 75 HA ALA 13 HA ALA 13 6.325 6.327 -0.068 76 HB1 ALA 13 1HB ALA 13 5.072 8.395 -0.457 77 HB2 ALA 13 2HB ALA 13 6.011 8.486 1.034 78 HB3 ALA 13 3HB ALA 13 4.271 8.204 1.104 79 H HIS 14 H HIS 14 3.588 6.110 2.182 80 HA HIS 14 HA HIS 14 5.037 5.845 4.562 81 HB2 HIS 14 2HB HIS 14 2.589 6.144 4.491 82 HB3 HIS 14 1HB HIS 14 2.409 4.533 3.826 83 HD1 HIS 14 1HD HIS 14 4.599 5.500 6.773 84 HD2 HIS 14 2HD HIS 14 1.217 3.238 5.907 85 HE1 HIS 14 1HE HIS 14 4.070 4.236 8.884 86 HE2 HIS 14 2HE HIS 14 2.033 2.861 8.332 87 H CYS 15 H CYS 15 3.837 3.421 2.328 88 HA CYS 15 HA CYS 15 4.699 1.107 3.578 89 HB2 CYS 15 2HB CYS 15 3.262 0.902 1.707 90 HB3 CYS 15 1HB CYS 15 4.346 1.827 0.677 91 H LEU 16 H LEU 16 6.426 3.278 1.464 92 HA LEU 16 HA LEU 16 8.783 1.781 1.156 93 HB2 LEU 16 2HB LEU 16 7.882 4.507 0.629 94 HB3 LEU 16 1HB LEU 16 9.589 4.405 1.012 95 HG LEU 16 HG LEU 16 10.012 2.959 -0.839 96 HD11 LEU 16 1HD1 LEU 16 7.028 2.869 -1.257 97 HD12 LEU 16 2HD1 LEU 16 8.030 1.554 -0.640 98 HD13 LEU 16 3HD1 LEU 16 8.244 2.124 -2.295 99 HD21 LEU 16 3HD2 LEU 16 8.117 5.157 -1.659 100 HD22 LEU 16 1HD2 LEU 16 9.233 4.317 -2.737 101 HD23 LEU 16 2HD2 LEU 16 9.858 5.306 -1.417 102 H SER 17 H SER 17 7.634 3.779 3.747 103 HA SER 17 HA SER 17 10.216 4.092 4.986 104 HB2 SER 17 2HB SER 17 7.800 4.500 6.635 105 HB3 SER 17 1HB SER 17 9.186 5.559 6.381 106 HG SER 17 HG SER 17 8.140 5.721 4.131 107 H ILE 18 H ILE 18 7.889 1.588 4.886 108 HA ILE 18 HA ILE 18 8.729 0.564 7.503 109 HB ILE 18 HB ILE 18 6.911 -1.224 6.171 110 HG12 ILE 18 2HG1 ILE 18 5.879 1.596 6.547 111 HG13 ILE 18 1HG1 ILE 18 6.207 0.858 4.983 112 HG21 ILE 18 1HG2 ILE 18 7.366 -1.069 8.592 113 HG22 ILE 18 2HG2 ILE 18 5.648 -0.952 8.212 114 HG23 ILE 18 3HG2 ILE 18 6.561 0.501 8.619 115 HD11 ILE 18 3HD1 ILE 18 4.183 -0.104 6.992 116 HD12 ILE 18 1HD1 ILE 18 4.505 -0.830 5.417 117 HD13 ILE 18 2HD1 ILE 18 3.839 0.800 5.518 118 H GLY 19 H GLY 19 10.543 0.611 5.237 119 HA2 GLY 19 2HA GLY 19 12.285 -0.780 4.620 120 HA3 GLY 19 1HA GLY 19 11.502 -2.088 5.489 121 H ARG 20 H ARG 20 9.270 -0.777 3.409 122 HA ARG 20 HA ARG 20 9.724 -2.951 1.501 123 HB2 ARG 20 2HB ARG 20 7.311 -1.214 2.043 124 HB3 ARG 20 1HB ARG 20 7.387 -2.397 0.745 125 HG2 ARG 20 2HG ARG 20 6.644 -3.925 2.162 126 HG3 ARG 20 1HG ARG 20 8.145 -3.764 3.073 127 HD2 ARG 20 2HD ARG 20 7.207 -2.242 4.579 128 HD3 ARG 20 1HD ARG 20 5.860 -1.870 3.504 129 HE ARG 20 HE ARG 20 4.902 -4.026 4.048 130 HH11 ARG 20 1HH1 ARG 20 7.597 -3.018 6.078 131 HH12 ARG 20 2HH1 ARG 20 7.122 -4.026 7.404 132 HH21 ARG 20 1HH2 ARG 20 4.280 -5.334 5.801 133 HH22 ARG 20 2HH2 ARG 20 5.249 -5.345 7.247 134 H LYS 21 H LYS 21 9.697 -2.544 -0.791 135 HA LYS 21 HA LYS 21 10.523 0.201 -1.406 136 HB2 LYS 21 2HB LYS 21 11.148 -2.361 -2.869 137 HB3 LYS 21 1HB LYS 21 11.594 -0.764 -3.445 138 HG2 LYS 21 2HG LYS 21 12.828 -2.442 -1.380 139 HG3 LYS 21 1HG LYS 21 13.543 -1.226 -2.432 140 HD2 LYS 21 2HD LYS 21 11.926 -0.645 0.052 141 HD3 LYS 21 1HD LYS 21 13.685 -0.637 -0.036 142 HE2 LYS 21 2HE LYS 21 13.754 1.336 -1.187 143 HE3 LYS 21 1HE LYS 21 12.193 1.063 -1.963 144 HZ1 LYS 21 3HZ LYS 21 12.687 1.952 0.824 145 HZ2 LYS 21 1HZ LYS 21 11.168 1.448 0.271 146 HZ3 LYS 21 2HZ LYS 21 11.911 2.809 -0.408 147 H PHE 22 H PHE 22 8.152 -2.153 -2.078 148 HA PHE 22 HA PHE 22 6.810 -0.266 -3.859 149 HB2 PHE 22 2HB PHE 22 6.519 -3.144 -4.548 150 HB3 PHE 22 1HB PHE 22 6.422 -1.733 -5.584 151 HD1 PHE 22 1HD PHE 22 8.471 -0.682 -6.453 152 HD2 PHE 22 2HD PHE 22 8.579 -4.312 -4.233 153 HE1 PHE 22 1HE PHE 22 10.745 -1.120 -7.284 154 HE2 PHE 22 2HE PHE 22 10.854 -4.754 -5.059 155 HZ PHE 22 HZ PHE 22 11.940 -3.156 -6.586 156 H GLY 23 H GLY 23 4.517 -0.584 -3.919 157 HA2 GLY 23 2HA GLY 23 3.032 -2.487 -2.620 158 HA3 GLY 23 1HA GLY 23 3.469 -1.332 -1.371 159 H PHE 24 H PHE 24 0.887 -2.094 -2.652 160 HA PHE 24 HA PHE 24 -0.281 0.496 -2.699 161 HB2 PHE 24 2HB PHE 24 -1.188 0.453 -4.986 162 HB3 PHE 24 1HB PHE 24 0.569 0.539 -5.001 163 HD1 PHE 24 1HD PHE 24 1.894 -1.488 -5.581 164 HD2 PHE 24 2HD PHE 24 -2.343 -1.363 -5.967 165 HE1 PHE 24 1HE PHE 24 1.975 -3.449 -7.064 166 HE2 PHE 24 2HE PHE 24 -2.269 -3.326 -7.449 167 HZ PHE 24 HZ PHE 24 -0.109 -4.371 -7.999 168 H CYS 25 H CYS 25 -2.704 0.241 -3.309 169 HA CYS 25 HA CYS 25 -3.785 -1.720 -1.616 170 HB2 CYS 25 2HB CYS 25 -5.334 -0.348 -3.809 171 HB3 CYS 25 1HB CYS 25 -5.910 -0.875 -2.231 172 H ALA 26 H ALA 26 -3.857 -3.823 -1.957 173 HA ALA 26 HA ALA 26 -4.606 -4.785 -4.636 174 HB1 ALA 26 1HB ALA 26 -3.043 -6.644 -4.420 175 HB2 ALA 26 2HB ALA 26 -2.495 -6.016 -2.866 176 HB3 ALA 26 3HB ALA 26 -2.198 -5.099 -4.344 177 H GLY 27 H GLY 27 -6.714 -5.223 -4.081 178 HA2 GLY 27 2HA GLY 27 -7.274 -7.700 -2.897 179 HA3 GLY 27 1HA GLY 27 -7.558 -6.447 -1.697 180 HA PRO 28 HA PRO 28 -10.990 -6.771 -5.137 181 HB2 PRO 28 2HB PRO 28 -12.206 -9.006 -3.653 182 HB3 PRO 28 1HB PRO 28 -11.942 -8.826 -5.389 183 HG2 PRO 28 2HG PRO 28 -10.501 -10.546 -3.918 184 HG3 PRO 28 1HG PRO 28 -9.795 -9.667 -5.285 185 HD2 PRO 28 2HD PRO 28 -9.546 -9.126 -2.349 186 HD3 PRO 28 1HD PRO 28 -8.307 -9.039 -3.620 187 H LEU 29 H LEU 29 -11.712 -7.966 -1.854 188 HA LEU 29 HA LEU 29 -13.812 -5.969 -1.592 189 HB2 LEU 29 2HB LEU 29 -12.946 -8.152 0.311 190 HB3 LEU 29 1HB LEU 29 -14.358 -7.131 0.506 191 HG LEU 29 HG LEU 29 -13.952 -9.085 -1.761 192 HD11 LEU 29 1HD1 LEU 29 -15.661 -9.300 0.712 193 HD12 LEU 29 2HD1 LEU 29 -14.209 -10.240 0.367 194 HD13 LEU 29 3HD1 LEU 29 -15.647 -10.437 -0.636 195 HD21 LEU 29 3HD2 LEU 29 -16.358 -7.468 -0.929 196 HD22 LEU 29 1HD2 LEU 29 -16.316 -8.670 -2.219 197 HD23 LEU 29 2HD2 LEU 29 -15.365 -7.191 -2.360 198 H ARG 30 H ARG 30 -11.068 -7.082 0.379 199 HA ARG 30 HA ARG 30 -10.971 -4.492 1.702 200 HB2 ARG 30 2HB ARG 30 -9.591 -7.126 2.184 201 HB3 ARG 30 1HB ARG 30 -9.054 -5.653 2.979 202 HG2 ARG 30 2HG ARG 30 -11.359 -5.392 3.893 203 HG3 ARG 30 1HG ARG 30 -11.741 -6.982 3.228 204 HD2 ARG 30 2HD ARG 30 -10.002 -7.995 4.580 205 HD3 ARG 30 1HD ARG 30 -9.527 -6.413 5.194 206 HE ARG 30 HE ARG 30 -12.261 -7.330 5.680 207 HH11 ARG 30 1HH1 ARG 30 -9.060 -6.638 6.902 208 HH12 ARG 30 2HH1 ARG 30 -9.543 -6.654 8.565 209 HH21 ARG 30 1HH2 ARG 30 -12.917 -7.353 7.880 210 HH22 ARG 30 2HH2 ARG 30 -11.747 -7.063 9.123 211 H ALA 31 H ALA 31 -10.351 -3.365 -0.221 212 HA ALA 31 HA ALA 31 -7.890 -3.933 -1.549 213 HB1 ALA 31 1HB ALA 31 -8.275 -1.851 -2.741 214 HB2 ALA 31 2HB ALA 31 -9.556 -1.421 -1.607 215 HB3 ALA 31 3HB ALA 31 -9.753 -2.811 -2.675 216 H THR 32 H THR 32 -6.918 -4.020 0.776 217 HA THR 32 HA THR 32 -6.047 -1.450 1.797 218 HB THR 32 HB THR 32 -4.755 -3.928 2.776 219 HG1 THR 32 1HG THR 32 -6.677 -4.907 2.703 220 HG21 THR 32 3HG2 THR 32 -4.457 -1.768 3.889 221 HG22 THR 32 1HG2 THR 32 -5.268 -2.918 4.953 222 HG23 THR 32 2HG2 THR 32 -6.197 -1.654 4.147 223 H CYS 33 H CYS 33 -3.776 -0.854 1.913 224 HA CYS 33 HA CYS 33 -2.400 -1.400 -0.510 225 HB2 CYS 33 2HB CYS 33 -1.197 -0.164 1.958 226 HB3 CYS 33 1HB CYS 33 -0.663 0.032 0.298 227 H THR 34 H THR 34 -1.304 -3.096 -0.971 228 HA THR 34 HA THR 34 -0.045 -4.680 1.173 229 HB THR 34 HB THR 34 -0.543 -5.739 -1.593 230 HG1 THR 34 1HG THR 34 -2.449 -4.917 0.143 231 HG21 THR 34 3HG2 THR 34 -0.712 -7.870 -0.393 232 HG22 THR 34 1HG2 THR 34 -0.501 -7.027 1.142 233 HG23 THR 34 2HG2 THR 34 0.813 -7.060 -0.034 234 H CYS 35 H CYS 35 2.133 -4.846 1.158 235 HA CYS 35 HA CYS 35 3.530 -3.679 -1.148 236 HB2 CYS 35 2HB CYS 35 4.465 -3.969 1.710 237 HB3 CYS 35 1HB CYS 35 5.356 -3.188 0.406 238 H GLY 36 H GLY 36 5.888 -4.527 -1.288 239 HA2 GLY 36 2HA GLY 36 5.822 -7.212 -2.087 240 HA3 GLY 36 1HA GLY 36 7.284 -6.270 -1.834 241 H LYS 37 H LYS 37 6.797 -5.763 0.943 242 HA LYS 37 HA LYS 37 7.417 -8.425 2.027 243 HB2 LYS 37 2HB LYS 37 8.113 -5.672 3.079 244 HB3 LYS 37 1HB LYS 37 8.494 -7.179 3.897 245 HG2 LYS 37 2HG LYS 37 9.956 -7.830 2.077 246 HG3 LYS 37 1HG LYS 37 9.531 -6.362 1.190 247 HD2 LYS 37 2HD LYS 37 10.435 -5.020 3.066 248 HD3 LYS 37 1HD LYS 37 10.943 -6.516 3.853 249 HE2 LYS 37 2HE LYS 37 12.453 -7.014 2.054 250 HE3 LYS 37 1HE LYS 37 11.849 -5.651 1.111 251 HZ1 LYS 37 3HZ LYS 37 12.687 -4.159 2.851 252 HZ2 LYS 37 1HZ LYS 37 13.928 -5.078 2.150 253 HZ3 LYS 37 2HZ LYS 37 13.333 -5.489 3.678 254 H GLN 38 H GLN 38 4.765 -7.530 1.529 255 HA GLN 38 HA GLN 38 2.714 -7.442 2.470 256 HB2 GLN 38 2HB GLN 38 3.781 -9.414 3.760 257 HB3 GLN 38 1HB GLN 38 3.932 -8.281 5.095 258 HG2 GLN 38 2HG GLN 38 1.553 -7.973 5.177 259 HG3 GLN 38 1HG GLN 38 1.337 -8.951 3.727 260 HE21 GLN 38 1HE2 GLN 38 -0.023 -10.380 4.786 261 HE22 GLN 38 2HE2 GLN 38 0.559 -11.528 5.935
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