NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14429 | 1wpd | 6347 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 1HT VAL 1 -5.895 0.755 -6.351 2 2H VAL 1 2HT VAL 1 -6.116 1.494 -7.885 3 3H VAL 1 3HT VAL 1 -7.159 0.227 -7.382 4 HA VAL 1 HA VAL 1 -7.919 2.642 -7.255 5 HB VAL 1 HB VAL 1 -9.168 2.092 -5.121 6 1HG1 VAL 1 1HG1 VAL 1 -10.028 1.544 -7.347 7 2HG1 VAL 1 2HG1 VAL 1 -10.483 0.323 -6.159 8 3HG1 VAL 1 3HG1 VAL 1 -9.174 0.001 -7.296 9 1HG2 VAL 1 1HG2 VAL 1 -8.705 0.269 -3.870 10 2HG2 VAL 1 2HG2 VAL 1 -7.091 0.479 -4.549 11 3HG2 VAL 1 3HG2 VAL 1 -8.202 -0.692 -5.261 12 H SER 2 H SER 2 -7.781 4.532 -6.139 13 HA SER 2 HA SER 2 -5.552 4.749 -4.240 14 1HB SER 2 2HB SER 2 -5.849 7.258 -4.727 15 2HB SER 2 1HB SER 2 -5.202 6.255 -6.025 16 HG SER 2 HG SER 2 -7.128 6.341 -7.065 17 H CYS 3 H CYS 3 -5.891 5.240 -2.165 18 HA CYS 3 HA CYS 3 -8.634 5.933 -1.354 19 1HB CYS 3 2HB CYS 3 -6.522 4.802 0.472 20 2HB CYS 3 1HB CYS 3 -8.267 4.820 0.700 21 H THR 4 H THR 4 -8.669 7.155 0.816 22 HA THR 4 HA THR 4 -6.473 8.898 1.382 23 HB THR 4 HB THR 4 -8.926 10.249 0.271 24 HG1 THR 4 1HG THR 4 -6.544 9.510 -1.066 25 1HG2 THR 4 1HG2 THR 4 -7.332 12.126 -0.069 26 2HG2 THR 4 2HG2 THR 4 -6.136 11.205 0.843 27 3HG2 THR 4 3HG2 THR 4 -7.634 11.719 1.620 28 H GLY 5 H GLY 5 -8.271 7.067 2.765 29 1HA GLY 5 2HA GLY 5 -9.223 8.945 4.821 30 2HA GLY 5 1HA GLY 5 -10.291 7.673 4.248 31 H SER 6 H SER 6 -7.258 8.323 5.917 32 HA SER 6 HA SER 6 -7.692 6.135 7.707 33 1HB SER 6 2HB SER 6 -5.209 5.911 6.007 34 2HB SER 6 1HB SER 6 -5.889 4.717 7.111 35 HG SER 6 HG SER 6 -6.573 5.315 4.499 36 H LYS 7 H LYS 7 -4.941 5.827 8.475 37 HA LYS 7 HA LYS 7 -4.383 8.523 9.520 38 1HB LYS 7 2HB LYS 7 -3.321 7.267 11.464 39 2HB LYS 7 1HB LYS 7 -5.075 7.227 11.370 40 1HG LYS 7 2HG LYS 7 -3.519 5.024 10.113 41 2HG LYS 7 1HG LYS 7 -3.701 5.057 11.869 42 1HD LYS 7 2HD LYS 7 -5.901 4.553 11.779 43 2HD LYS 7 1HD LYS 7 -6.168 5.516 10.324 44 1HE LYS 7 2HE LYS 7 -6.400 3.505 9.340 45 2HE LYS 7 1HE LYS 7 -4.636 3.530 9.324 46 1HZ LYS 7 1HZ LYS 7 -4.510 1.956 10.911 47 2HZ LYS 7 2HZ LYS 7 -6.055 1.545 10.359 48 3HZ LYS 7 3HZ LYS 7 -5.880 2.502 11.742 49 H ASP 8 H ASP 8 -3.369 7.716 7.091 50 HA ASP 8 HA ASP 8 -1.363 8.012 6.007 51 1HB ASP 8 2HB ASP 8 -0.590 8.677 8.550 52 2HB ASP 8 1HB ASP 8 0.430 7.285 8.210 53 H CYS 9 H CYS 9 -2.266 6.055 5.115 54 HA CYS 9 HA CYS 9 -1.012 3.563 5.950 55 1HB CYS 9 2HB CYS 9 -3.517 3.968 5.275 56 2HB CYS 9 1HB CYS 9 -2.876 3.696 3.669 57 H TYR 10 H TYR 10 -1.722 5.056 2.828 58 HA TYR 10 HA TYR 10 0.055 3.641 1.278 59 1HB TYR 10 2HB TYR 10 -1.124 6.382 1.053 60 2HB TYR 10 1HB TYR 10 0.108 5.880 -0.102 61 HD1 TYR 10 1HD TYR 10 -0.707 5.092 -2.098 62 HD2 TYR 10 2HD TYR 10 -2.964 4.384 1.437 63 HE1 TYR 10 1HE TYR 10 -2.421 3.938 -3.431 64 HE2 TYR 10 2HE TYR 10 -4.683 3.226 0.115 65 HH TYR 10 HH TYR 10 -5.465 3.296 -2.353 66 H ALA 11 H ALA 11 0.753 6.139 3.573 67 HA ALA 11 HA ALA 11 3.279 6.912 2.520 68 1HB ALA 11 1HB ALA 11 3.522 7.597 5.095 69 2HB ALA 11 2HB ALA 11 1.771 7.408 5.008 70 3HB ALA 11 3HB ALA 11 2.591 8.536 3.929 71 HA PRO 12 HA PRO 12 5.228 4.169 6.089 72 1HB PRO 12 2HB PRO 12 3.418 2.161 6.847 73 2HB PRO 12 1HB PRO 12 3.895 3.559 7.813 74 1HG PRO 12 2HG PRO 12 1.474 3.155 6.128 75 2HG PRO 12 1HG PRO 12 1.649 4.038 7.654 76 1HD PRO 12 2HD PRO 12 1.437 5.329 5.319 77 2HD PRO 12 1HD PRO 12 2.503 5.927 6.608 78 H CYS 13 H CYS 13 2.966 3.050 3.682 79 HA CYS 13 HA CYS 13 4.482 0.623 3.185 80 1HB CYS 13 2HB CYS 13 1.834 1.616 2.496 81 2HB CYS 13 1HB CYS 13 2.643 0.748 1.204 82 H ARG 14 H ARG 14 3.576 3.582 1.443 83 HA ARG 14 HA ARG 14 4.773 3.113 -0.961 84 1HB ARG 14 2HB ARG 14 3.561 5.112 -0.826 85 2HB ARG 14 1HB ARG 14 4.393 5.630 0.633 86 1HG ARG 14 2HG ARG 14 5.931 6.737 -0.527 87 2HG ARG 14 1HG ARG 14 6.207 5.379 -1.617 88 1HD ARG 14 2HD ARG 14 3.853 6.154 -2.564 89 2HD ARG 14 1HD ARG 14 4.369 7.696 -1.883 90 HE ARG 14 HE ARG 14 6.337 6.410 -3.551 91 1HH1 ARG 14 1HH1 ARG 14 3.622 8.603 -3.464 92 2HH1 ARG 14 2HH1 ARG 14 4.068 9.410 -4.929 93 1HH2 ARG 14 1HH2 ARG 14 6.923 7.471 -5.478 94 2HH2 ARG 14 2HH2 ARG 14 5.940 8.768 -6.074 95 H LYS 15 H LYS 15 6.289 4.015 2.065 96 HA LYS 15 HA LYS 15 8.853 4.600 1.082 97 1HB LYS 15 2HB LYS 15 7.646 4.025 3.657 98 2HB LYS 15 1HB LYS 15 9.233 3.281 3.529 99 1HG LYS 15 2HG LYS 15 9.922 5.280 4.287 100 2HG LYS 15 1HG LYS 15 9.801 5.729 2.585 101 1HD LYS 15 2HD LYS 15 7.274 6.197 3.343 102 2HD LYS 15 1HD LYS 15 8.092 6.484 4.880 103 1HE LYS 15 2HE LYS 15 9.291 8.276 4.060 104 2HE LYS 15 1HE LYS 15 9.166 7.728 2.389 105 1HZ LYS 15 1HZ LYS 15 6.695 8.216 2.650 106 2HZ LYS 15 2HZ LYS 15 7.738 9.542 2.522 107 3HZ LYS 15 3HZ LYS 15 7.125 9.091 4.033 108 H GLN 16 H GLN 16 7.387 1.567 2.164 109 HA GLN 16 HA GLN 16 9.636 -0.056 1.530 110 1HB GLN 16 2HB GLN 16 6.751 -0.868 1.908 111 2HB GLN 16 1HB GLN 16 8.146 -1.937 1.956 112 1HG GLN 16 2HG GLN 16 7.516 0.279 3.892 113 2HG GLN 16 1HG GLN 16 7.386 -1.453 4.191 114 1HE2 GLN 16 1HE2 GLN 16 9.429 1.272 4.158 115 2HE2 GLN 16 2HE2 GLN 16 10.890 0.476 4.622 116 H THR 17 H THR 17 6.398 0.097 -0.002 117 HA THR 17 HA THR 17 7.222 -1.411 -2.252 118 HB THR 17 HB THR 17 4.907 -1.401 -1.472 119 HG1 THR 17 1HG THR 17 3.951 -1.136 -3.532 120 1HG2 THR 17 1HG2 THR 17 3.446 0.378 -1.605 121 2HG2 THR 17 2HG2 THR 17 4.493 1.293 -2.689 122 3HG2 THR 17 3HG2 THR 17 4.918 1.126 -0.985 123 H GLY 18 H GLY 18 6.416 2.024 -1.945 124 1HA GLY 18 2HA GLY 18 7.992 3.572 -3.037 125 2HA GLY 18 1HA GLY 18 7.919 2.479 -4.388 126 H CYS 19 H CYS 19 6.610 2.961 -5.944 127 HA CYS 19 HA CYS 19 5.342 5.090 -6.596 128 1HB CYS 19 2HB CYS 19 3.523 3.715 -7.679 129 2HB CYS 19 1HB CYS 19 5.195 3.474 -8.136 130 HA PRO 20 HA PRO 20 2.149 6.311 -3.807 131 1HB PRO 20 2HB PRO 20 0.505 7.668 -5.510 132 2HB PRO 20 1HB PRO 20 2.035 8.311 -4.902 133 1HG PRO 20 2HG PRO 20 1.442 6.997 -7.526 134 2HG PRO 20 1HG PRO 20 2.419 8.439 -7.192 135 1HD PRO 20 2HD PRO 20 3.542 6.036 -7.644 136 2HD PRO 20 1HD PRO 20 4.244 7.198 -6.501 137 H TYR 21 H TYR 21 1.548 4.070 -6.299 138 HA TYR 21 HA TYR 21 -1.250 3.868 -6.099 139 1HB TYR 21 2HB TYR 21 0.333 1.469 -6.811 140 2HB TYR 21 1HB TYR 21 -1.038 2.201 -7.601 141 HD1 TYR 21 1HD TYR 21 1.914 1.191 -8.501 142 HD2 TYR 21 2HD TYR 21 -0.091 4.927 -8.138 143 HE1 TYR 21 1HE TYR 21 3.388 2.143 -10.225 144 HE2 TYR 21 2HE TYR 21 1.378 5.889 -9.860 145 HH TYR 21 HH TYR 21 4.211 4.506 -10.844 146 H GLY 22 H GLY 22 -2.355 1.880 -5.308 147 1HA GLY 22 2HA GLY 22 -1.104 0.401 -3.171 148 2HA GLY 22 1HA GLY 22 -2.279 1.571 -2.612 149 H LYS 23 H LYS 23 -2.452 -1.289 -2.283 150 HA LYS 23 HA LYS 23 -4.639 -1.977 -4.104 151 1HB LYS 23 2HB LYS 23 -2.524 -3.496 -3.357 152 2HB LYS 23 1HB LYS 23 -3.699 -3.979 -2.142 153 1HG LYS 23 2HG LYS 23 -4.485 -3.953 -5.018 154 2HG LYS 23 1HG LYS 23 -3.516 -5.284 -4.382 155 1HD LYS 23 2HD LYS 23 -5.256 -5.547 -2.583 156 2HD LYS 23 1HD LYS 23 -6.249 -4.394 -3.478 157 1HE LYS 23 2HE LYS 23 -5.132 -6.808 -4.847 158 2HE LYS 23 1HE LYS 23 -6.582 -6.945 -3.853 159 1HZ LYS 23 1HZ LYS 23 -6.543 -4.780 -5.798 160 2HZ LYS 23 2HZ LYS 23 -7.814 -5.794 -5.330 161 3HZ LYS 23 3HZ LYS 23 -6.651 -6.348 -6.426 162 H CYS 24 H CYS 24 -4.627 -0.134 -1.706 163 HA CYS 24 HA CYS 24 -6.109 -1.337 0.369 164 1HB CYS 24 2HB CYS 24 -5.223 0.581 1.179 165 2HB CYS 24 1HB CYS 24 -5.238 1.373 -0.386 166 H MET 25 H MET 25 -8.069 -2.109 0.252 167 HA MET 25 HA MET 25 -10.096 -0.698 -1.360 168 1HB MET 25 2HB MET 25 -9.177 -3.049 -2.177 169 2HB MET 25 1HB MET 25 -10.282 -3.654 -0.950 170 1HG MET 25 2HG MET 25 -12.136 -3.016 -2.101 171 2HG MET 25 1HG MET 25 -11.321 -1.664 -2.884 172 1HE MET 25 1HE MET 25 -11.546 -5.766 -3.031 173 2HE MET 25 2HE MET 25 -12.290 -5.621 -4.623 174 3HE MET 25 3HE MET 25 -12.969 -4.748 -3.250 175 H ASN 26 H ASN 26 -12.137 -0.545 -0.440 176 HA ASN 26 HA ASN 26 -13.526 -0.251 1.422 177 1HB ASN 26 2HB ASN 26 -14.351 -2.211 2.213 178 2HB ASN 26 1HB ASN 26 -13.466 -2.842 0.835 179 1HD2 ASN 26 1HD2 ASN 26 -13.774 -2.774 4.236 180 2HD2 ASN 26 2HD2 ASN 26 -12.506 -3.887 4.602 181 H ARG 27 H ARG 27 -13.454 -0.994 3.809 182 HA ARG 27 HA ARG 27 -11.679 0.787 5.037 183 1HB ARG 27 2HB ARG 27 -14.018 -0.469 5.828 184 2HB ARG 27 1HB ARG 27 -12.801 -1.161 6.891 185 1HG ARG 27 2HG ARG 27 -12.645 0.703 8.092 186 2HG ARG 27 1HG ARG 27 -12.548 1.720 6.654 187 1HD ARG 27 2HD ARG 27 -14.847 1.966 6.516 188 2HD ARG 27 1HD ARG 27 -15.161 0.515 7.466 189 HE ARG 27 HE ARG 27 -15.010 1.769 9.378 190 1HH1 ARG 27 1HH1 ARG 27 -13.723 3.609 6.707 191 2HH1 ARG 27 2HH1 ARG 27 -13.586 5.074 7.620 192 1HH2 ARG 27 1HH2 ARG 27 -14.832 3.695 10.580 193 2HH2 ARG 27 2HH2 ARG 27 -14.214 5.124 9.818 194 H LYS 28 H LYS 28 -10.953 -1.791 3.612 195 HA LYS 28 HA LYS 28 -8.930 -2.737 5.555 196 1HB LYS 28 2HB LYS 28 -10.667 -4.340 4.412 197 2HB LYS 28 1HB LYS 28 -9.560 -4.247 3.051 198 1HG LYS 28 2HG LYS 28 -8.899 -6.150 4.223 199 2HG LYS 28 1HG LYS 28 -7.738 -4.910 4.704 200 1HD LYS 28 2HD LYS 28 -8.516 -4.816 6.838 201 2HD LYS 28 1HD LYS 28 -10.176 -5.181 6.363 202 1HE LYS 28 2HE LYS 28 -9.349 -7.038 7.617 203 2HE LYS 28 1HE LYS 28 -9.456 -7.530 5.927 204 1HZ LYS 28 1HZ LYS 28 -7.394 -8.303 6.571 205 2HZ LYS 28 2HZ LYS 28 -7.057 -6.958 7.540 206 3HZ LYS 28 3HZ LYS 28 -6.997 -6.822 5.855 207 H CYS 29 H CYS 29 -7.197 -1.438 5.229 208 HA CYS 29 HA CYS 29 -6.360 -0.480 2.707 209 1HB CYS 29 2HB CYS 29 -5.878 0.448 5.055 210 2HB CYS 29 1HB CYS 29 -4.561 -0.705 5.056 211 H LYS 30 H LYS 30 -4.179 -0.891 1.785 212 HA LYS 30 HA LYS 30 -2.571 -3.049 2.305 213 1HB LYS 30 2HB LYS 30 -5.078 -3.836 1.018 214 2HB LYS 30 1HB LYS 30 -3.656 -4.363 0.129 215 1HG LYS 30 2HG LYS 30 -3.046 -5.850 1.712 216 2HG LYS 30 1HG LYS 30 -3.620 -4.838 3.040 217 1HD LYS 30 2HD LYS 30 -5.762 -5.647 2.913 218 2HD LYS 30 1HD LYS 30 -5.629 -6.030 1.195 219 1HE LYS 30 2HE LYS 30 -5.475 -8.150 1.938 220 2HE LYS 30 1HE LYS 30 -3.788 -7.719 2.215 221 1HZ LYS 30 1HZ LYS 30 -4.595 -6.992 4.508 222 2HZ LYS 30 2HZ LYS 30 -4.484 -8.653 4.211 223 3HZ LYS 30 3HZ LYS 30 -5.991 -7.888 4.176 224 H CYS 31 H CYS 31 -1.193 -1.428 1.620 225 HA CYS 31 HA CYS 31 -1.017 0.031 -0.667 226 1HB CYS 31 2HB CYS 31 1.525 -0.452 -0.514 227 2HB CYS 31 1HB CYS 31 0.721 0.389 0.805 228 H ASN 32 H ASN 32 0.499 -0.222 -2.442 229 HA ASN 32 HA ASN 32 -0.313 -2.486 -4.036 230 1HB ASN 32 2HB ASN 32 -0.082 0.042 -4.650 231 2HB ASN 32 1HB ASN 32 1.574 -0.406 -4.959 232 1HD2 ASN 32 1HD2 ASN 32 2.016 -1.024 -6.951 233 2HD2 ASN 32 2HD2 ASN 32 0.886 -1.670 -8.088 234 H ARG 33 H ARG 33 1.482 -3.193 -5.655 235 HA ARG 33 HA ARG 33 3.867 -3.958 -4.103 236 1HB ARG 33 2HB ARG 33 2.292 -5.849 -4.550 237 2HB ARG 33 1HB ARG 33 2.526 -5.585 -6.273 238 1HG ARG 33 2HG ARG 33 3.956 -7.346 -5.763 239 2HG ARG 33 1HG ARG 33 5.015 -5.934 -5.805 240 1HD ARG 33 2HD ARG 33 5.409 -5.994 -3.571 241 2HD ARG 33 1HD ARG 33 3.800 -6.612 -3.194 242 HE ARG 33 HE ARG 33 4.676 -8.712 -3.212 243 1HH1 ARG 33 1HH1 ARG 33 6.786 -6.642 -5.066 244 2HH1 ARG 33 2HH1 ARG 33 7.974 -7.875 -5.326 245 1HH2 ARG 33 1HH2 ARG 33 6.237 -10.335 -3.552 246 2HH2 ARG 33 2HH2 ARG 33 7.662 -9.973 -4.466 247 H CYS 34 H CYS 34 5.112 -2.277 -4.856 248 HA CYS 34 HA CYS 34 5.389 -1.776 -7.668 249 1HB CYS 34 2HB CYS 34 5.739 -0.311 -5.390 250 2HB CYS 34 1HB CYS 34 7.376 -0.577 -5.950 Start of MODEL 2 1 1H VAL 1 1HT VAL 1 -10.223 2.699 -7.366 2 2H VAL 1 2HT VAL 1 -11.605 1.757 -6.982 3 3H VAL 1 3HT VAL 1 -10.051 1.030 -7.014 4 HA VAL 1 HA VAL 1 -10.974 3.114 -5.154 5 HB VAL 1 HB VAL 1 -10.649 1.297 -3.458 6 1HG1 VAL 1 1HG1 VAL 1 -12.748 0.687 -5.534 7 2HG1 VAL 1 2HG1 VAL 1 -12.869 1.972 -4.331 8 3HG1 VAL 1 3HG1 VAL 1 -12.802 0.286 -3.817 9 1HG2 VAL 1 1HG2 VAL 1 -10.606 -1.012 -4.181 10 2HG2 VAL 1 2HG2 VAL 1 -9.224 -0.151 -4.858 11 3HG2 VAL 1 3HG2 VAL 1 -10.621 -0.510 -5.872 12 H SER 2 H SER 2 -9.439 3.998 -3.854 13 HA SER 2 HA SER 2 -6.882 2.946 -3.373 14 1HB SER 2 2HB SER 2 -5.458 4.129 -4.821 15 2HB SER 2 1HB SER 2 -6.764 3.586 -5.875 16 HG SER 2 HG SER 2 -5.942 6.044 -5.514 17 H CYS 3 H CYS 3 -5.869 4.056 -1.764 18 HA CYS 3 HA CYS 3 -7.356 6.189 -0.522 19 1HB CYS 3 2HB CYS 3 -4.666 5.147 0.357 20 2HB CYS 3 1HB CYS 3 -5.905 5.921 1.340 21 H THR 4 H THR 4 -5.994 8.058 0.430 22 HA THR 4 HA THR 4 -3.757 8.993 -1.056 23 HB THR 4 HB THR 4 -5.503 9.367 -2.751 24 HG1 THR 4 1HG THR 4 -3.723 10.899 -2.373 25 1HG2 THR 4 1HG2 THR 4 -7.379 10.650 -2.483 26 2HG2 THR 4 2HG2 THR 4 -6.739 11.489 -1.070 27 3HG2 THR 4 3HG2 THR 4 -7.301 9.823 -0.928 28 H GLY 5 H GLY 5 -4.555 8.642 1.689 29 1HA GLY 5 2HA GLY 5 -3.437 10.832 2.907 30 2HA GLY 5 1HA GLY 5 -5.155 11.195 2.837 31 H SER 6 H SER 6 -6.505 10.290 4.300 32 HA SER 6 HA SER 6 -7.178 9.220 6.185 33 1HB SER 6 2HB SER 6 -7.184 7.075 5.502 34 2HB SER 6 1HB SER 6 -5.662 7.251 4.654 35 HG SER 6 HG SER 6 -5.673 5.723 6.419 36 H LYS 7 H LYS 7 -5.064 7.330 7.451 37 HA LYS 7 HA LYS 7 -3.884 9.413 9.153 38 1HB LYS 7 2HB LYS 7 -4.611 6.542 9.586 39 2HB LYS 7 1HB LYS 7 -3.377 7.280 10.598 40 1HG LYS 7 2HG LYS 7 -5.134 7.789 11.898 41 2HG LYS 7 1HG LYS 7 -5.306 9.146 10.782 42 1HD LYS 7 2HD LYS 7 -6.663 6.500 10.328 43 2HD LYS 7 1HD LYS 7 -7.403 7.792 11.276 44 1HE LYS 7 2HE LYS 7 -6.708 9.185 9.094 45 2HE LYS 7 1HE LYS 7 -6.932 7.596 8.363 46 1HZ LYS 7 1HZ LYS 7 -9.051 8.324 8.245 47 2HZ LYS 7 2HZ LYS 7 -8.896 9.388 9.551 48 3HZ LYS 7 3HZ LYS 7 -9.125 7.736 9.830 49 H ASP 8 H ASP 8 -2.802 8.726 6.546 50 HA ASP 8 HA ASP 8 -0.751 8.521 5.586 51 1HB ASP 8 2HB ASP 8 -0.125 9.014 8.396 52 2HB ASP 8 1HB ASP 8 1.108 8.051 7.588 53 H CYS 9 H CYS 9 -2.007 6.431 5.131 54 HA CYS 9 HA CYS 9 -0.728 4.075 6.271 55 1HB CYS 9 2HB CYS 9 -3.272 4.418 5.816 56 2HB CYS 9 1HB CYS 9 -2.831 3.923 4.198 57 H TYR 10 H TYR 10 -1.756 4.944 3.013 58 HA TYR 10 HA TYR 10 -0.075 3.240 1.631 59 1HB TYR 10 2HB TYR 10 -1.571 4.106 0.164 60 2HB TYR 10 1HB TYR 10 -1.654 5.646 1.008 61 HD1 TYR 10 1HD TYR 10 -0.352 7.513 0.298 62 HD2 TYR 10 2HD TYR 10 0.218 3.706 -1.514 63 HE1 TYR 10 1HE TYR 10 0.987 8.565 -1.474 64 HE2 TYR 10 2HE TYR 10 1.560 4.748 -3.293 65 HH TYR 10 HH TYR 10 1.546 7.485 -4.244 66 H ALA 11 H ALA 11 0.704 6.174 3.271 67 HA ALA 11 HA ALA 11 3.038 6.845 1.795 68 1HB ALA 11 1HB ALA 11 1.821 7.713 4.350 69 2HB ALA 11 2HB ALA 11 2.350 8.662 2.960 70 3HB ALA 11 3HB ALA 11 3.536 8.047 4.112 71 HA PRO 12 HA PRO 12 5.556 4.992 5.620 72 1HB PRO 12 2HB PRO 12 3.952 2.917 6.709 73 2HB PRO 12 1HB PRO 12 4.456 4.409 7.503 74 1HG PRO 12 2HG PRO 12 1.897 3.752 6.160 75 2HG PRO 12 1HG PRO 12 2.212 4.855 7.508 76 1HD PRO 12 2HD PRO 12 1.668 5.772 5.047 77 2HD PRO 12 1HD PRO 12 2.838 6.594 6.103 78 H CYS 13 H CYS 13 3.252 3.192 3.671 79 HA CYS 13 HA CYS 13 5.123 0.999 3.331 80 1HB CYS 13 2HB CYS 13 2.380 1.147 3.326 81 2HB CYS 13 1HB CYS 13 2.796 0.902 1.640 82 H ARG 14 H ARG 14 3.484 3.401 1.298 83 HA ARG 14 HA ARG 14 4.412 2.782 -1.172 84 1HB ARG 14 2HB ARG 14 2.986 4.667 -0.981 85 2HB ARG 14 1HB ARG 14 4.084 5.487 0.119 86 1HG ARG 14 2HG ARG 14 5.264 4.911 -2.485 87 2HG ARG 14 1HG ARG 14 3.852 5.965 -2.563 88 1HD ARG 14 2HD ARG 14 5.092 7.141 -0.534 89 2HD ARG 14 1HD ARG 14 6.505 6.415 -1.301 90 HE ARG 14 HE ARG 14 6.298 7.905 -3.035 91 1HH1 ARG 14 1HH1 ARG 14 3.395 7.992 -1.097 92 2HH1 ARG 14 2HH1 ARG 14 2.758 9.391 -1.892 93 1HH2 ARG 14 1HH2 ARG 14 5.458 9.745 -4.082 94 2HH2 ARG 14 2HH2 ARG 14 3.926 10.386 -3.587 95 H LYS 15 H LYS 15 6.217 4.134 1.476 96 HA LYS 15 HA LYS 15 8.531 4.913 0.081 97 1HB LYS 15 2HB LYS 15 7.712 4.821 2.752 98 2HB LYS 15 1HB LYS 15 9.131 3.786 2.688 99 1HG LYS 15 2HG LYS 15 10.539 5.505 2.192 100 2HG LYS 15 1HG LYS 15 9.288 6.438 1.368 101 1HD LYS 15 2HD LYS 15 8.272 6.506 3.825 102 2HD LYS 15 1HD LYS 15 9.970 6.296 4.255 103 1HE LYS 15 2HE LYS 15 10.567 8.344 3.458 104 2HE LYS 15 1HE LYS 15 9.327 8.339 2.205 105 1HZ LYS 15 1HZ LYS 15 8.992 9.965 4.065 106 2HZ LYS 15 2HZ LYS 15 8.699 8.648 5.085 107 3HZ LYS 15 3HZ LYS 15 7.682 8.937 3.766 108 H GLN 16 H GLN 16 7.843 1.874 1.823 109 HA GLN 16 HA GLN 16 10.189 0.564 0.873 110 1HB GLN 16 2HB GLN 16 7.668 -0.530 2.125 111 2HB GLN 16 1HB GLN 16 9.109 -1.485 1.801 112 1HG GLN 16 2HG GLN 16 10.251 -0.610 3.536 113 2HG GLN 16 1HG GLN 16 9.506 0.979 3.369 114 1HE2 GLN 16 1HE2 GLN 16 8.507 -2.344 4.130 115 2HE2 GLN 16 2HE2 GLN 16 7.506 -1.916 5.472 116 H THR 17 H THR 17 6.776 0.411 -0.070 117 HA THR 17 HA THR 17 7.105 -1.582 -2.043 118 HB THR 17 HB THR 17 4.897 0.461 -1.922 119 HG1 THR 17 1HG THR 17 4.788 -0.307 0.071 120 1HG2 THR 17 1HG2 THR 17 3.487 -1.278 -2.774 121 2HG2 THR 17 2HG2 THR 17 4.820 -2.432 -2.732 122 3HG2 THR 17 3HG2 THR 17 4.867 -1.069 -3.848 123 H GLY 18 H GLY 18 6.323 1.846 -2.448 124 1HA GLY 18 2HA GLY 18 7.794 3.136 -3.952 125 2HA GLY 18 1HA GLY 18 7.697 1.755 -5.006 126 H CYS 19 H CYS 19 6.328 1.866 -6.581 127 HA CYS 19 HA CYS 19 4.960 3.742 -7.640 128 1HB CYS 19 2HB CYS 19 3.109 2.115 -8.238 129 2HB CYS 19 1HB CYS 19 4.754 1.829 -8.758 130 HA PRO 20 HA PRO 20 2.006 5.684 -4.981 131 1HB PRO 20 2HB PRO 20 0.429 6.121 -7.455 132 2HB PRO 20 1HB PRO 20 1.018 7.292 -6.270 133 1HG PRO 20 2HG PRO 20 2.172 7.075 -8.659 134 2HG PRO 20 1HG PRO 20 3.140 7.363 -7.201 135 1HD PRO 20 2HD PRO 20 2.739 4.831 -8.742 136 2HD PRO 20 1HD PRO 20 4.209 5.465 -7.973 137 H TYR 21 H TYR 21 1.202 2.952 -6.913 138 HA TYR 21 HA TYR 21 -1.545 2.784 -6.330 139 1HB TYR 21 2HB TYR 21 -0.001 0.299 -6.784 140 2HB TYR 21 1HB TYR 21 -1.472 0.874 -7.526 141 HD1 TYR 21 1HD TYR 21 -0.689 3.436 -8.682 142 HD2 TYR 21 2HD TYR 21 1.419 -0.257 -8.537 143 HE1 TYR 21 1HE TYR 21 0.554 4.073 -10.706 144 HE2 TYR 21 2HE TYR 21 2.669 0.370 -10.559 145 HH TYR 21 HH TYR 21 1.992 2.185 -12.652 146 H GLY 22 H GLY 22 -2.448 0.873 -5.138 147 1HA GLY 22 2HA GLY 22 -1.010 -0.259 -2.947 148 2HA GLY 22 1HA GLY 22 -2.014 1.076 -2.416 149 H LYS 23 H LYS 23 -2.365 -1.621 -1.552 150 HA LYS 23 HA LYS 23 -4.840 -2.363 -2.941 151 1HB LYS 23 2HB LYS 23 -2.722 -3.964 -2.319 152 2HB LYS 23 1HB LYS 23 -3.766 -4.226 -0.927 153 1HG LYS 23 2HG LYS 23 -4.179 -5.893 -2.629 154 2HG LYS 23 1HG LYS 23 -5.595 -4.861 -2.423 155 1HD LYS 23 2HD LYS 23 -3.701 -3.921 -4.452 156 2HD LYS 23 1HD LYS 23 -4.443 -5.481 -4.818 157 1HE LYS 23 2HE LYS 23 -6.483 -4.580 -5.137 158 2HE LYS 23 1HE LYS 23 -6.289 -3.421 -3.823 159 1HZ LYS 23 1HZ LYS 23 -4.661 -2.986 -6.200 160 2HZ LYS 23 2HZ LYS 23 -5.438 -1.866 -5.200 161 3HZ LYS 23 3HZ LYS 23 -6.323 -2.713 -6.365 162 H CYS 24 H CYS 24 -4.383 -0.237 -0.898 163 HA CYS 24 HA CYS 24 -5.648 -1.131 1.507 164 1HB CYS 24 2HB CYS 24 -5.541 1.216 2.179 165 2HB CYS 24 1HB CYS 24 -4.007 0.703 1.496 166 H MET 25 H MET 25 -7.619 -1.986 0.973 167 HA MET 25 HA MET 25 -9.553 -0.448 -0.531 168 1HB MET 25 2HB MET 25 -11.042 -2.340 -0.180 169 2HB MET 25 1HB MET 25 -9.466 -2.905 -0.720 170 1HG MET 25 2HG MET 25 -9.829 -2.769 2.193 171 2HG MET 25 1HG MET 25 -10.831 -3.951 1.352 172 1HE MET 25 1HE MET 25 -10.327 -6.045 1.177 173 2HE MET 25 2HE MET 25 -8.767 -6.864 1.110 174 3HE MET 25 3HE MET 25 -9.410 -6.074 -0.329 175 H ASN 26 H ASN 26 -11.432 0.453 0.253 176 HA ASN 26 HA ASN 26 -11.350 1.870 2.600 177 1HB ASN 26 2HB ASN 26 -14.016 0.890 1.670 178 2HB ASN 26 1HB ASN 26 -13.560 2.483 2.252 179 1HD2 ASN 26 1HD2 ASN 26 -13.532 3.988 0.763 180 2HD2 ASN 26 2HD2 ASN 26 -13.210 3.760 -0.918 181 H ARG 27 H ARG 27 -11.531 1.424 4.670 182 HA ARG 27 HA ARG 27 -12.049 0.398 6.636 183 1HB ARG 27 2HB ARG 27 -14.235 -0.196 5.070 184 2HB ARG 27 1HB ARG 27 -13.677 -1.789 5.561 185 1HG ARG 27 2HG ARG 27 -13.649 -0.082 7.837 186 2HG ARG 27 1HG ARG 27 -15.211 0.071 7.032 187 1HD ARG 27 2HD ARG 27 -15.083 -2.542 6.951 188 2HD ARG 27 1HD ARG 27 -13.933 -2.327 8.269 189 HE ARG 27 HE ARG 27 -16.055 -0.837 9.046 190 1HH1 ARG 27 1HH1 ARG 27 -15.718 -4.145 7.984 191 2HH1 ARG 27 2HH1 ARG 27 -17.048 -4.717 8.933 192 1HH2 ARG 27 1HH2 ARG 27 -17.806 -1.588 10.295 193 2HH2 ARG 27 2HH2 ARG 27 -18.234 -3.266 10.245 194 H LYS 28 H LYS 28 -9.903 -0.371 4.815 195 HA LYS 28 HA LYS 28 -8.697 -2.395 6.254 196 1HB LYS 28 2HB LYS 28 -10.698 -3.505 4.661 197 2HB LYS 28 1HB LYS 28 -9.217 -3.812 3.766 198 1HG LYS 28 2HG LYS 28 -9.684 -5.679 5.197 199 2HG LYS 28 1HG LYS 28 -8.247 -4.842 5.788 200 1HD LYS 28 2HD LYS 28 -9.645 -3.679 7.456 201 2HD LYS 28 1HD LYS 28 -11.046 -4.591 6.888 202 1HE LYS 28 2HE LYS 28 -9.336 -6.612 7.361 203 2HE LYS 28 1HE LYS 28 -8.763 -5.448 8.555 204 1HZ LYS 28 1HZ LYS 28 -10.531 -7.013 9.337 205 2HZ LYS 28 2HZ LYS 28 -11.611 -6.229 8.297 206 3HZ LYS 28 3HZ LYS 28 -10.884 -5.373 9.562 207 H CYS 29 H CYS 29 -6.932 -1.094 5.955 208 HA CYS 29 HA CYS 29 -5.990 -0.259 3.421 209 1HB CYS 29 2HB CYS 29 -5.526 0.733 5.748 210 2HB CYS 29 1HB CYS 29 -4.258 -0.472 5.818 211 H LYS 30 H LYS 30 -3.818 -0.818 2.571 212 HA LYS 30 HA LYS 30 -2.285 -2.973 3.204 213 1HB LYS 30 2HB LYS 30 -4.830 -3.810 2.030 214 2HB LYS 30 1HB LYS 30 -3.438 -4.431 1.152 215 1HG LYS 30 2HG LYS 30 -3.404 -4.681 4.103 216 2HG LYS 30 1HG LYS 30 -4.523 -5.711 3.206 217 1HD LYS 30 2HD LYS 30 -2.588 -6.412 1.775 218 2HD LYS 30 1HD LYS 30 -1.531 -5.535 2.883 219 1HE LYS 30 2HE LYS 30 -1.397 -7.523 3.929 220 2HE LYS 30 1HE LYS 30 -2.938 -7.036 4.631 221 1HZ LYS 30 1HZ LYS 30 -2.896 -8.489 2.073 222 2HZ LYS 30 2HZ LYS 30 -4.108 -8.432 3.252 223 3HZ LYS 30 3HZ LYS 30 -2.709 -9.344 3.521 224 H CYS 31 H CYS 31 -0.913 -1.409 2.372 225 HA CYS 31 HA CYS 31 -0.716 -0.139 -0.009 226 1HB CYS 31 2HB CYS 31 1.820 -0.762 0.129 227 2HB CYS 31 1HB CYS 31 1.082 0.264 1.351 228 H ASN 32 H ASN 32 0.782 -0.570 -1.778 229 HA ASN 32 HA ASN 32 -0.196 -2.826 -3.268 230 1HB ASN 32 2HB ASN 32 0.317 -0.369 -3.994 231 2HB ASN 32 1HB ASN 32 1.917 -1.009 -4.251 232 1HD2 ASN 32 1HD2 ASN 32 2.329 -1.878 -6.160 233 2HD2 ASN 32 2HD2 ASN 32 1.147 -2.408 -7.304 234 H ARG 33 H ARG 33 1.528 -3.787 -4.829 235 HA ARG 33 HA ARG 33 3.930 -4.576 -3.333 236 1HB ARG 33 2HB ARG 33 1.825 -6.321 -4.533 237 2HB ARG 33 1HB ARG 33 3.496 -6.857 -4.639 238 1HG ARG 33 2HG ARG 33 2.048 -6.160 -2.092 239 2HG ARG 33 1HG ARG 33 2.340 -7.792 -2.696 240 1HD ARG 33 2HD ARG 33 4.835 -7.016 -2.729 241 2HD ARG 33 1HD ARG 33 4.270 -5.805 -1.581 242 HE ARG 33 HE ARG 33 4.073 -7.444 0.006 243 1HH1 ARG 33 1HH1 ARG 33 4.408 -8.937 -3.131 244 2HH1 ARG 33 2HH1 ARG 33 4.582 -10.537 -2.489 245 1HH2 ARG 33 1HH2 ARG 33 4.301 -9.547 0.851 246 2HH2 ARG 33 2HH2 ARG 33 4.521 -10.883 -0.230 247 H CYS 34 H CYS 34 5.099 -3.123 -4.562 248 HA CYS 34 HA CYS 34 5.091 -3.254 -7.424 249 1HB CYS 34 2HB CYS 34 5.743 -1.387 -5.504 250 2HB CYS 34 1HB CYS 34 7.260 -1.787 -6.269 Start of MODEL 3 1 1H VAL 1 1HT VAL 1 -11.004 1.021 -6.790 2 2H VAL 1 2HT VAL 1 -11.975 -0.197 -6.068 3 3H VAL 1 3HT VAL 1 -10.285 -0.437 -6.248 4 HA VAL 1 HA VAL 1 -11.474 1.715 -4.643 5 HB VAL 1 HB VAL 1 -10.712 0.257 -2.697 6 1HG1 VAL 1 1HG1 VAL 1 -13.121 0.609 -3.769 7 2HG1 VAL 1 2HG1 VAL 1 -12.846 -0.465 -2.398 8 3HG1 VAL 1 3HG1 VAL 1 -12.969 -1.129 -4.027 9 1HG2 VAL 1 1HG2 VAL 1 -10.784 -2.195 -3.158 10 2HG2 VAL 1 2HG2 VAL 1 -9.392 -1.369 -3.858 11 3HG2 VAL 1 3HG2 VAL 1 -10.756 -1.820 -4.881 12 H SER 2 H SER 2 -9.987 3.002 -3.666 13 HA SER 2 HA SER 2 -7.292 2.372 -3.219 14 1HB SER 2 2HB SER 2 -6.297 3.918 -4.974 15 2HB SER 2 1HB SER 2 -6.924 2.383 -5.575 16 HG SER 2 HG SER 2 -7.519 4.526 -6.646 17 H CYS 3 H CYS 3 -6.324 3.895 -1.955 18 HA CYS 3 HA CYS 3 -7.999 6.044 -1.011 19 1HB CYS 3 2HB CYS 3 -5.147 5.693 -0.156 20 2HB CYS 3 1HB CYS 3 -6.529 6.241 0.784 21 H THR 4 H THR 4 -6.838 8.215 -0.564 22 HA THR 4 HA THR 4 -5.017 9.009 -2.689 23 HB THR 4 HB THR 4 -7.494 10.659 -2.322 24 HG1 THR 4 1HG THR 4 -7.215 8.340 -3.910 25 1HG2 THR 4 1HG2 THR 4 -5.240 10.614 -4.152 26 2HG2 THR 4 2HG2 THR 4 -6.391 11.902 -3.794 27 3HG2 THR 4 3HG2 THR 4 -6.800 10.655 -4.973 28 H GLY 5 H GLY 5 -4.593 8.776 0.067 29 1HA GLY 5 2HA GLY 5 -3.117 10.785 0.878 30 2HA GLY 5 1HA GLY 5 -4.701 11.511 1.109 31 H SER 6 H SER 6 -6.260 9.982 2.359 32 HA SER 6 HA SER 6 -6.795 9.090 4.382 33 1HB SER 6 2HB SER 6 -4.207 7.582 4.430 34 2HB SER 6 1HB SER 6 -5.822 7.044 4.888 35 HG SER 6 HG SER 6 -5.671 6.123 2.977 36 H LYS 7 H LYS 7 -5.383 8.342 6.597 37 HA LYS 7 HA LYS 7 -4.630 10.883 7.677 38 1HB LYS 7 2HB LYS 7 -4.984 8.123 8.728 39 2HB LYS 7 1HB LYS 7 -3.968 9.216 9.657 40 1HG LYS 7 2HG LYS 7 -5.909 9.763 10.637 41 2HG LYS 7 1HG LYS 7 -6.100 10.803 9.224 42 1HD LYS 7 2HD LYS 7 -7.089 7.963 9.283 43 2HD LYS 7 1HD LYS 7 -8.075 9.320 9.833 44 1HE LYS 7 2HE LYS 7 -7.228 10.244 7.432 45 2HE LYS 7 1HE LYS 7 -7.307 8.512 7.109 46 1HZ LYS 7 1HZ LYS 7 -9.621 8.706 8.196 47 2HZ LYS 7 2HZ LYS 7 -9.423 9.224 6.598 48 3HZ LYS 7 3HZ LYS 7 -9.478 10.357 7.852 49 H ASP 8 H ASP 8 -2.898 7.818 7.141 50 HA ASP 8 HA ASP 8 -0.521 9.001 6.275 51 1HB ASP 8 2HB ASP 8 -0.770 9.473 8.935 52 2HB ASP 8 1HB ASP 8 0.090 7.938 8.959 53 H CYS 9 H CYS 9 -1.801 6.964 5.236 54 HA CYS 9 HA CYS 9 -0.457 4.516 6.120 55 1HB CYS 9 2HB CYS 9 -3.041 4.800 5.692 56 2HB CYS 9 1HB CYS 9 -2.550 4.440 4.052 57 H TYR 10 H TYR 10 -1.526 5.935 3.074 58 HA TYR 10 HA TYR 10 -0.018 4.514 1.303 59 1HB TYR 10 2HB TYR 10 -1.500 6.929 1.251 60 2HB TYR 10 1HB TYR 10 0.046 7.265 0.479 61 HD1 TYR 10 1HD TYR 10 -0.552 7.455 -1.779 62 HD2 TYR 10 2HD TYR 10 -1.860 4.074 0.447 63 HE1 TYR 10 1HE TYR 10 -1.362 6.411 -3.853 64 HE2 TYR 10 2HE TYR 10 -2.672 3.020 -1.620 65 HH TYR 10 HH TYR 10 -3.375 3.657 -3.860 66 H ALA 11 H ALA 11 1.053 7.009 3.481 67 HA ALA 11 HA ALA 11 3.566 7.476 2.220 68 1HB ALA 11 1HB ALA 11 2.269 8.301 4.737 69 2HB ALA 11 2HB ALA 11 3.147 9.256 3.543 70 3HB ALA 11 3HB ALA 11 4.033 8.303 4.732 71 HA PRO 12 HA PRO 12 5.565 4.815 5.779 72 1HB PRO 12 2HB PRO 12 3.689 3.119 6.971 73 2HB PRO 12 1HB PRO 12 4.384 4.567 7.701 74 1HG PRO 12 2HG PRO 12 1.767 4.209 6.321 75 2HG PRO 12 1HG PRO 12 2.172 5.214 7.724 76 1HD PRO 12 2HD PRO 12 1.822 6.289 5.295 77 2HD PRO 12 1HD PRO 12 3.061 6.909 6.407 78 H CYS 13 H CYS 13 2.943 3.809 3.733 79 HA CYS 13 HA CYS 13 4.043 1.155 3.364 80 1HB CYS 13 2HB CYS 13 1.498 2.318 3.104 81 2HB CYS 13 1HB CYS 13 1.965 1.700 1.534 82 H ARG 14 H ARG 14 3.418 4.050 1.379 83 HA ARG 14 HA ARG 14 4.365 3.120 -1.020 84 1HB ARG 14 2HB ARG 14 3.301 5.285 -0.852 85 2HB ARG 14 1HB ARG 14 4.615 5.896 0.142 86 1HG ARG 14 2HG ARG 14 5.996 5.153 -2.043 87 2HG ARG 14 1HG ARG 14 4.442 5.550 -2.777 88 1HD ARG 14 2HD ARG 14 5.942 7.376 -0.906 89 2HD ARG 14 1HD ARG 14 6.061 7.453 -2.664 90 HE ARG 14 HE ARG 14 3.891 8.389 -1.028 91 1HH1 ARG 14 1HH1 ARG 14 4.805 7.288 -4.210 92 2HH1 ARG 14 2HH1 ARG 14 3.497 8.099 -5.003 93 1HH2 ARG 14 1HH2 ARG 14 2.170 9.457 -2.069 94 2HH2 ARG 14 2HH2 ARG 14 2.001 9.331 -3.789 95 H LYS 15 H LYS 15 6.146 4.179 1.787 96 HA LYS 15 HA LYS 15 8.694 4.380 0.602 97 1HB LYS 15 2HB LYS 15 7.581 4.316 3.283 98 2HB LYS 15 1HB LYS 15 9.093 3.425 3.203 99 1HG LYS 15 2HG LYS 15 9.993 5.442 3.604 100 2HG LYS 15 1HG LYS 15 9.794 5.649 1.863 101 1HD LYS 15 2HD LYS 15 7.838 6.924 2.130 102 2HD LYS 15 1HD LYS 15 7.634 6.413 3.806 103 1HE LYS 15 2HE LYS 15 10.005 7.577 4.049 104 2HE LYS 15 1HE LYS 15 9.428 8.477 2.647 105 1HZ LYS 15 1HZ LYS 15 7.298 8.621 4.224 106 2HZ LYS 15 2HZ LYS 15 8.535 9.774 4.236 107 3HZ LYS 15 3HZ LYS 15 8.512 8.550 5.402 108 H GLN 16 H GLN 16 6.982 1.705 2.157 109 HA GLN 16 HA GLN 16 9.055 -0.204 1.774 110 1HB GLN 16 2HB GLN 16 7.018 -0.208 3.412 111 2HB GLN 16 1HB GLN 16 6.176 -0.972 2.071 112 1HG GLN 16 2HG GLN 16 8.786 -2.143 2.721 113 2HG GLN 16 1HG GLN 16 7.561 -2.295 3.980 114 1HE2 GLN 16 1HE2 GLN 16 5.404 -3.082 3.188 115 2HE2 GLN 16 2HE2 GLN 16 5.414 -4.353 2.020 116 H THR 17 H THR 17 5.870 0.141 0.165 117 HA THR 17 HA THR 17 6.474 -1.803 -1.812 118 HB THR 17 HB THR 17 4.172 -1.278 -1.125 119 HG1 THR 17 1HG THR 17 3.330 -1.136 -3.292 120 1HG2 THR 17 1HG2 THR 17 4.397 1.169 -0.922 121 2HG2 THR 17 2HG2 THR 17 3.022 0.675 -1.909 122 3HG2 THR 17 3HG2 THR 17 4.489 1.277 -2.679 123 H GLY 18 H GLY 18 6.345 1.725 -1.930 124 1HA GLY 18 2HA GLY 18 8.075 2.885 -3.188 125 2HA GLY 18 1HA GLY 18 7.946 1.601 -4.354 126 H CYS 19 H CYS 19 6.777 1.946 -6.049 127 HA CYS 19 HA CYS 19 5.802 4.085 -7.095 128 1HB CYS 19 2HB CYS 19 3.920 2.716 -8.107 129 2HB CYS 19 1HB CYS 19 5.593 2.312 -8.426 130 HA PRO 20 HA PRO 20 2.600 6.091 -4.818 131 1HB PRO 20 2HB PRO 20 1.283 6.571 -7.433 132 2HB PRO 20 1HB PRO 20 1.783 7.725 -6.193 133 1HG PRO 20 2HG PRO 20 3.162 7.479 -8.457 134 2HG PRO 20 1HG PRO 20 3.989 7.740 -6.909 135 1HD PRO 20 2HD PRO 20 3.676 5.223 -8.492 136 2HD PRO 20 1HD PRO 20 5.078 5.813 -7.576 137 H TYR 21 H TYR 21 1.891 3.405 -6.872 138 HA TYR 21 HA TYR 21 -0.895 3.316 -6.510 139 1HB TYR 21 2HB TYR 21 0.582 0.786 -6.904 140 2HB TYR 21 1HB TYR 21 -0.789 1.445 -7.758 141 HD1 TYR 21 1HD TYR 21 2.168 0.233 -8.505 142 HD2 TYR 21 2HD TYR 21 0.167 3.975 -8.796 143 HE1 TYR 21 1HE TYR 21 3.621 0.857 -10.388 144 HE2 TYR 21 2HE TYR 21 1.613 4.610 -10.680 145 HH TYR 21 HH TYR 21 4.429 2.918 -11.486 146 H GLY 22 H GLY 22 -2.014 1.522 -5.363 147 1HA GLY 22 2HA GLY 22 -0.729 0.283 -3.121 148 2HA GLY 22 1HA GLY 22 -1.725 1.638 -2.642 149 H LYS 23 H LYS 23 -2.133 -1.132 -1.894 150 HA LYS 23 HA LYS 23 -4.589 -1.747 -3.370 151 1HB LYS 23 2HB LYS 23 -2.528 -3.420 -2.702 152 2HB LYS 23 1HB LYS 23 -3.654 -3.703 -1.383 153 1HG LYS 23 2HG LYS 23 -5.402 -3.960 -3.299 154 2HG LYS 23 1HG LYS 23 -3.973 -4.248 -4.295 155 1HD LYS 23 2HD LYS 23 -3.359 -5.896 -2.328 156 2HD LYS 23 1HD LYS 23 -5.105 -5.874 -2.073 157 1HE LYS 23 2HE LYS 23 -5.162 -6.287 -4.667 158 2HE LYS 23 1HE LYS 23 -3.531 -6.895 -4.390 159 1HZ LYS 23 1HZ LYS 23 -6.093 -8.004 -3.560 160 2HZ LYS 23 2HZ LYS 23 -4.815 -8.162 -2.463 161 3HZ LYS 23 3HZ LYS 23 -4.670 -8.794 -4.026 162 H CYS 24 H CYS 24 -3.960 0.222 -1.113 163 HA CYS 24 HA CYS 24 -5.365 -0.662 1.179 164 1HB CYS 24 2HB CYS 24 -5.119 1.594 1.973 165 2HB CYS 24 1HB CYS 24 -3.638 1.137 1.151 166 H MET 25 H MET 25 -7.442 -1.141 1.164 167 HA MET 25 HA MET 25 -9.285 0.476 -0.462 168 1HB MET 25 2HB MET 25 -9.923 -2.161 0.851 169 2HB MET 25 1HB MET 25 -10.780 -1.366 -0.463 170 1HG MET 25 2HG MET 25 -8.920 -1.779 -1.960 171 2HG MET 25 1HG MET 25 -8.004 -2.513 -0.645 172 1HE MET 25 1HE MET 25 -8.962 -4.333 0.791 173 2HE MET 25 2HE MET 25 -9.728 -5.768 0.110 174 3HE MET 25 3HE MET 25 -10.720 -4.428 0.683 175 H ASN 26 H ASN 26 -11.137 1.341 0.428 176 HA ASN 26 HA ASN 26 -11.004 2.547 2.875 177 1HB ASN 26 2HB ASN 26 -13.712 1.655 2.007 178 2HB ASN 26 1HB ASN 26 -13.194 3.219 2.616 179 1HD2 ASN 26 1HD2 ASN 26 -13.917 1.384 -0.121 180 2HD2 ASN 26 2HD2 ASN 26 -13.420 2.522 -1.320 181 H ARG 27 H ARG 27 -11.053 1.910 4.896 182 HA ARG 27 HA ARG 27 -11.502 0.734 6.794 183 1HB ARG 27 2HB ARG 27 -13.781 0.322 5.301 184 2HB ARG 27 1HB ARG 27 -13.238 -1.319 5.625 185 1HG ARG 27 2HG ARG 27 -13.050 0.185 8.034 186 2HG ARG 27 1HG ARG 27 -14.648 0.439 7.329 187 1HD ARG 27 2HD ARG 27 -14.603 -2.153 7.021 188 2HD ARG 27 1HD ARG 27 -13.367 -2.088 8.276 189 HE ARG 27 HE ARG 27 -15.640 -0.601 9.059 190 1HH1 ARG 27 1HH1 ARG 27 -14.532 -3.886 8.656 191 2HH1 ARG 27 2HH1 ARG 27 -15.599 -4.526 9.859 192 1HH2 ARG 27 1HH2 ARG 27 -17.044 -1.441 10.643 193 2HH2 ARG 27 2HH2 ARG 27 -17.026 -3.138 10.988 194 H LYS 28 H LYS 28 -9.457 0.083 4.823 195 HA LYS 28 HA LYS 28 -8.244 -2.088 6.014 196 1HB LYS 28 2HB LYS 28 -10.225 -2.867 4.001 197 2HB LYS 28 1HB LYS 28 -8.629 -3.540 3.700 198 1HG LYS 28 2HG LYS 28 -9.588 -3.752 6.472 199 2HG LYS 28 1HG LYS 28 -10.485 -4.688 5.275 200 1HD LYS 28 2HD LYS 28 -8.304 -5.623 4.490 201 2HD LYS 28 1HD LYS 28 -7.526 -4.805 5.847 202 1HE LYS 28 2HE LYS 28 -9.655 -6.935 5.996 203 2HE LYS 28 1HE LYS 28 -7.953 -7.112 6.423 204 1HZ LYS 28 1HZ LYS 28 -10.014 -5.504 7.817 205 2HZ LYS 28 2HZ LYS 28 -8.360 -5.335 8.126 206 3HZ LYS 28 3HZ LYS 28 -9.128 -6.811 8.426 207 H CYS 29 H CYS 29 -6.460 -0.809 5.733 208 HA CYS 29 HA CYS 29 -5.616 0.126 3.182 209 1HB CYS 29 2HB CYS 29 -5.150 1.113 5.514 210 2HB CYS 29 1HB CYS 29 -3.838 -0.043 5.544 211 H LYS 30 H LYS 30 -3.463 -0.383 2.285 212 HA LYS 30 HA LYS 30 -1.788 -2.411 2.869 213 1HB LYS 30 2HB LYS 30 -2.671 -4.276 1.316 214 2HB LYS 30 1HB LYS 30 -3.351 -4.138 2.931 215 1HG LYS 30 2HG LYS 30 -4.990 -2.535 1.388 216 2HG LYS 30 1HG LYS 30 -4.634 -3.911 0.345 217 1HD LYS 30 2HD LYS 30 -5.317 -4.525 3.155 218 2HD LYS 30 1HD LYS 30 -6.624 -3.902 2.146 219 1HE LYS 30 2HE LYS 30 -4.865 -6.169 1.256 220 2HE LYS 30 1HE LYS 30 -6.304 -6.438 2.240 221 1HZ LYS 30 1HZ LYS 30 -6.332 -6.416 -0.412 222 2HZ LYS 30 2HZ LYS 30 -6.661 -4.782 -0.122 223 3HZ LYS 30 3HZ LYS 30 -7.669 -5.975 0.528 224 H CYS 31 H CYS 31 -0.460 -0.998 1.799 225 HA CYS 31 HA CYS 31 -0.560 0.152 -0.670 226 1HB CYS 31 2HB CYS 31 2.002 -0.533 -0.758 227 2HB CYS 31 1HB CYS 31 1.396 0.713 0.317 228 H ASN 32 H ASN 32 0.821 -0.403 -2.518 229 HA ASN 32 HA ASN 32 -0.300 -2.740 -3.764 230 1HB ASN 32 2HB ASN 32 0.112 -0.340 -4.695 231 2HB ASN 32 1HB ASN 32 1.697 -0.979 -5.052 232 1HD2 ASN 32 1HD2 ASN 32 -1.701 -1.207 -5.734 233 2HD2 ASN 32 2HD2 ASN 32 -1.554 -2.119 -7.194 234 H ARG 33 H ARG 33 1.284 -3.815 -5.404 235 HA ARG 33 HA ARG 33 3.616 -4.750 -3.867 236 1HB ARG 33 2HB ARG 33 1.616 -6.325 -4.591 237 2HB ARG 33 1HB ARG 33 2.468 -6.334 -6.129 238 1HG ARG 33 2HG ARG 33 3.276 -8.209 -5.016 239 2HG ARG 33 1HG ARG 33 4.533 -6.996 -4.773 240 1HD ARG 33 2HD ARG 33 4.158 -6.861 -2.550 241 2HD ARG 33 1HD ARG 33 2.417 -7.068 -2.727 242 HE ARG 33 HE ARG 33 4.323 -9.094 -2.143 243 1HH1 ARG 33 1HH1 ARG 33 1.320 -8.511 -3.824 244 2HH1 ARG 33 2HH1 ARG 33 0.784 -10.152 -3.693 245 1HH2 ARG 33 1HH2 ARG 33 3.619 -11.254 -1.970 246 2HH2 ARG 33 2HH2 ARG 33 2.088 -11.710 -2.640 247 H CYS 34 H CYS 34 5.013 -3.188 -4.621 248 HA CYS 34 HA CYS 34 5.420 -2.861 -7.460 249 1HB CYS 34 2HB CYS 34 5.695 -1.226 -5.298 250 2HB CYS 34 1HB CYS 34 7.355 -1.610 -5.709 Start of MODEL 4 1 1H VAL 1 1HT VAL 1 -5.459 8.526 -7.684 2 2H VAL 1 2HT VAL 1 -4.800 8.745 -9.253 3 3H VAL 1 3HT VAL 1 -3.806 8.182 -7.973 4 HA VAL 1 HA VAL 1 -6.156 6.756 -9.010 5 HB VAL 1 HB VAL 1 -4.439 5.208 -10.004 6 1HG1 VAL 1 1HG1 VAL 1 -4.193 7.893 -11.294 7 2HG1 VAL 1 2HG1 VAL 1 -5.766 7.104 -11.186 8 3HG1 VAL 1 3HG1 VAL 1 -4.439 6.312 -12.035 9 1HG2 VAL 1 1HG2 VAL 1 -2.573 7.553 -9.686 10 2HG2 VAL 1 2HG2 VAL 1 -2.207 5.977 -10.385 11 3HG2 VAL 1 3HG2 VAL 1 -2.538 6.119 -8.659 12 H SER 2 H SER 2 -6.605 4.886 -7.954 13 HA SER 2 HA SER 2 -6.615 3.317 -6.309 14 1HB SER 2 2HB SER 2 -3.638 3.785 -6.073 15 2HB SER 2 1HB SER 2 -4.535 2.331 -5.636 16 HG SER 2 HG SER 2 -5.123 2.296 -7.963 17 H CYS 3 H CYS 3 -7.456 3.663 -4.372 18 HA CYS 3 HA CYS 3 -7.854 4.521 -2.298 19 1HB CYS 3 2HB CYS 3 -4.893 5.101 -2.380 20 2HB CYS 3 1HB CYS 3 -5.900 5.210 -0.945 21 H THR 4 H THR 4 -7.344 6.580 -0.906 22 HA THR 4 HA THR 4 -7.971 8.856 -2.645 23 HB THR 4 HB THR 4 -9.639 8.444 -0.969 24 HG1 THR 4 1HG THR 4 -8.038 10.605 -0.074 25 1HG2 THR 4 1HG2 THR 4 -7.418 7.784 0.708 26 2HG2 THR 4 2HG2 THR 4 -9.141 7.504 0.965 27 3HG2 THR 4 3HG2 THR 4 -8.409 9.025 1.475 28 H GLY 5 H GLY 5 -5.405 8.465 -2.911 29 1HA GLY 5 2HA GLY 5 -3.469 9.742 -2.837 30 2HA GLY 5 1HA GLY 5 -4.223 10.759 -1.618 31 H SER 6 H SER 6 -3.738 10.447 0.498 32 HA SER 6 HA SER 6 -2.710 8.002 1.523 33 1HB SER 6 2HB SER 6 -0.577 9.920 1.978 34 2HB SER 6 1HB SER 6 -0.487 8.260 1.392 35 HG SER 6 HG SER 6 -1.014 10.591 -0.138 36 H LYS 7 H LYS 7 -1.932 8.262 3.799 37 HA LYS 7 HA LYS 7 -2.740 10.664 5.190 38 1HB LYS 7 2HB LYS 7 -4.261 8.077 5.447 39 2HB LYS 7 1HB LYS 7 -4.248 9.272 6.734 40 1HG LYS 7 2HG LYS 7 -6.056 10.093 5.718 41 2HG LYS 7 1HG LYS 7 -4.908 10.802 4.582 42 1HD LYS 7 2HD LYS 7 -6.756 9.605 3.459 43 2HD LYS 7 1HD LYS 7 -5.174 8.923 3.081 44 1HE LYS 7 2HE LYS 7 -5.546 7.023 4.342 45 2HE LYS 7 1HE LYS 7 -6.768 7.802 5.344 46 1HZ LYS 7 1HZ LYS 7 -7.069 6.917 2.527 47 2HZ LYS 7 2HZ LYS 7 -8.224 7.837 3.355 48 3HZ LYS 7 3HZ LYS 7 -7.847 6.277 3.888 49 H ASP 8 H ASP 8 -2.611 7.319 6.348 50 HA ASP 8 HA ASP 8 -0.038 7.887 7.643 51 1HB ASP 8 2HB ASP 8 -2.613 7.162 8.940 52 2HB ASP 8 1HB ASP 8 -1.155 6.400 9.570 53 H CYS 9 H CYS 9 -1.575 5.994 5.514 54 HA CYS 9 HA CYS 9 -0.171 3.546 6.310 55 1HB CYS 9 2HB CYS 9 -2.747 3.675 5.894 56 2HB CYS 9 1HB CYS 9 -2.257 3.566 4.219 57 H TYR 10 H TYR 10 -1.313 5.081 3.357 58 HA TYR 10 HA TYR 10 0.352 3.897 1.540 59 1HB TYR 10 2HB TYR 10 -1.271 6.301 1.635 60 2HB TYR 10 1HB TYR 10 0.162 6.535 0.641 61 HD1 TYR 10 1HD TYR 10 -1.697 3.357 1.075 62 HD2 TYR 10 2HD TYR 10 -0.828 6.631 -1.498 63 HE1 TYR 10 1HE TYR 10 -2.800 2.183 -0.783 64 HE2 TYR 10 2HE TYR 10 -1.930 5.468 -3.362 65 HH TYR 10 HH TYR 10 -2.445 3.044 -3.972 66 H ALA 11 H ALA 11 1.156 6.343 3.878 67 HA ALA 11 HA ALA 11 3.569 7.189 2.612 68 1HB ALA 11 1HB ALA 11 2.962 8.808 4.070 69 2HB ALA 11 2HB ALA 11 4.016 7.899 5.153 70 3HB ALA 11 3HB ALA 11 2.269 7.666 5.221 71 HA PRO 12 HA PRO 12 5.913 4.550 6.044 72 1HB PRO 12 2HB PRO 12 4.174 2.453 6.818 73 2HB PRO 12 1HB PRO 12 4.747 3.783 7.825 74 1HG PRO 12 2HG PRO 12 2.179 3.488 6.358 75 2HG PRO 12 1HG PRO 12 2.515 4.320 7.887 76 1HD PRO 12 2HD PRO 12 2.087 5.691 5.632 77 2HD PRO 12 1HD PRO 12 3.300 6.231 6.814 78 H CYS 13 H CYS 13 3.511 3.376 3.807 79 HA CYS 13 HA CYS 13 5.071 1.040 3.104 80 1HB CYS 13 2HB CYS 13 2.430 1.488 3.122 81 2HB CYS 13 1HB CYS 13 2.791 1.797 1.439 82 H ARG 14 H ARG 14 3.794 3.875 1.391 83 HA ARG 14 HA ARG 14 4.882 3.555 -1.063 84 1HB ARG 14 2HB ARG 14 4.548 6.023 0.563 85 2HB ARG 14 1HB ARG 14 5.327 6.085 -1.006 86 1HG ARG 14 2HG ARG 14 2.835 4.617 -1.085 87 2HG ARG 14 1HG ARG 14 2.628 6.280 -0.529 88 1HD ARG 14 2HD ARG 14 4.322 6.619 -2.628 89 2HD ARG 14 1HD ARG 14 3.358 5.246 -3.175 90 HE ARG 14 HE ARG 14 1.550 6.639 -3.390 91 1HH1 ARG 14 1HH1 ARG 14 4.021 8.259 -1.532 92 2HH1 ARG 14 2HH1 ARG 14 3.208 9.789 -1.551 93 1HH2 ARG 14 1HH2 ARG 14 0.482 8.650 -3.418 94 2HH2 ARG 14 2HH2 ARG 14 1.199 10.011 -2.621 95 H LYS 15 H LYS 15 6.570 4.331 1.859 96 HA LYS 15 HA LYS 15 9.040 5.085 0.744 97 1HB LYS 15 2HB LYS 15 8.040 4.271 3.345 98 2HB LYS 15 1HB LYS 15 9.636 3.595 3.046 99 1HG LYS 15 2HG LYS 15 9.766 5.736 4.201 100 2HG LYS 15 1HG LYS 15 10.515 5.818 2.605 101 1HD LYS 15 2HD LYS 15 9.280 7.690 2.395 102 2HD LYS 15 1HD LYS 15 7.980 6.560 2.011 103 1HE LYS 15 2HE LYS 15 7.345 6.544 4.402 104 2HE LYS 15 1HE LYS 15 8.587 7.756 4.713 105 1HZ LYS 15 1HZ LYS 15 6.395 8.181 2.766 106 2HZ LYS 15 2HZ LYS 15 7.441 9.336 3.423 107 3HZ LYS 15 3HZ LYS 15 6.262 8.613 4.396 108 H GLN 16 H GLN 16 7.984 1.894 1.947 109 HA GLN 16 HA GLN 16 10.184 0.520 0.748 110 1HB GLN 16 2HB GLN 16 8.978 -1.536 1.411 111 2HB GLN 16 1HB GLN 16 9.174 -0.393 2.731 112 1HG GLN 16 2HG GLN 16 6.857 0.349 2.412 113 2HG GLN 16 1HG GLN 16 6.670 -0.839 1.123 114 1HE2 GLN 16 1HE2 GLN 16 6.496 -0.255 4.443 115 2HE2 GLN 16 2HE2 GLN 16 6.220 -1.879 4.965 116 H THR 17 H THR 17 6.716 0.669 -0.067 117 HA THR 17 HA THR 17 6.918 -0.953 -2.360 118 HB THR 17 HB THR 17 4.645 0.760 -2.526 119 HG1 THR 17 1HG THR 17 4.054 1.037 -0.541 120 1HG2 THR 17 1HG2 THR 17 3.788 -1.581 -1.351 121 2HG2 THR 17 2HG2 THR 17 5.220 -2.061 -2.264 122 3HG2 THR 17 3HG2 THR 17 3.886 -1.246 -3.080 123 H GLY 18 H GLY 18 8.001 2.198 -1.919 124 1HA GLY 18 2HA GLY 18 8.619 3.843 -3.423 125 2HA GLY 18 1HA GLY 18 8.738 2.545 -4.583 126 H CYS 19 H CYS 19 7.345 2.432 -6.139 127 HA CYS 19 HA CYS 19 5.976 4.282 -7.293 128 1HB CYS 19 2HB CYS 19 4.251 2.544 -7.994 129 2HB CYS 19 1HB CYS 19 5.928 2.401 -8.463 130 HA PRO 20 HA PRO 20 2.675 5.884 -4.855 131 1HB PRO 20 2HB PRO 20 1.012 6.802 -6.794 132 2HB PRO 20 1HB PRO 20 2.529 7.596 -6.357 133 1HG PRO 20 2HG PRO 20 1.956 5.721 -8.623 134 2HG PRO 20 1HG PRO 20 2.883 7.233 -8.630 135 1HD PRO 20 2HD PRO 20 4.080 4.818 -8.549 136 2HD PRO 20 1HD PRO 20 4.758 6.234 -7.719 137 H TYR 21 H TYR 21 2.247 3.066 -6.628 138 HA TYR 21 HA TYR 21 -0.547 2.830 -6.584 139 1HB TYR 21 2HB TYR 21 1.185 0.419 -6.468 140 2HB TYR 21 1HB TYR 21 -0.196 0.774 -7.468 141 HD1 TYR 21 1HD TYR 21 0.678 3.366 -8.672 142 HD2 TYR 21 2HD TYR 21 2.757 -0.297 -8.064 143 HE1 TYR 21 1HE TYR 21 2.151 3.893 -10.570 144 HE2 TYR 21 2HE TYR 21 4.237 0.222 -9.958 145 HH TYR 21 HH TYR 21 4.807 2.973 -11.149 146 H GLY 22 H GLY 22 -1.665 1.069 -5.404 147 1HA GLY 22 2HA GLY 22 -0.816 -0.044 -2.990 148 2HA GLY 22 1HA GLY 22 -1.582 1.475 -2.608 149 H LYS 23 H LYS 23 -2.388 -1.500 -2.207 150 HA LYS 23 HA LYS 23 -4.921 -1.390 -3.676 151 1HB LYS 23 2HB LYS 23 -3.175 -3.483 -3.359 152 2HB LYS 23 1HB LYS 23 -4.380 -3.819 -2.124 153 1HG LYS 23 2HG LYS 23 -6.133 -3.861 -3.746 154 2HG LYS 23 1HG LYS 23 -5.042 -3.291 -5.011 155 1HD LYS 23 2HD LYS 23 -4.142 -5.336 -5.333 156 2HD LYS 23 1HD LYS 23 -4.190 -5.740 -3.615 157 1HE LYS 23 2HE LYS 23 -6.828 -5.710 -4.186 158 2HE LYS 23 1HE LYS 23 -6.175 -6.228 -5.740 159 1HZ LYS 23 1HZ LYS 23 -6.653 -8.134 -4.384 160 2HZ LYS 23 2HZ LYS 23 -5.714 -7.533 -3.112 161 3HZ LYS 23 3HZ LYS 23 -4.976 -8.000 -4.561 162 H CYS 24 H CYS 24 -4.306 0.220 -1.322 163 HA CYS 24 HA CYS 24 -5.568 -0.872 0.954 164 1HB CYS 24 2HB CYS 24 -5.064 1.102 1.988 165 2HB CYS 24 1HB CYS 24 -3.962 1.218 0.626 166 H MET 25 H MET 25 -7.615 -1.174 1.391 167 HA MET 25 HA MET 25 -9.645 0.193 -0.244 168 1HB MET 25 2HB MET 25 -9.738 -2.445 1.229 169 2HB MET 25 1HB MET 25 -11.140 -1.696 0.478 170 1HG MET 25 2HG MET 25 -10.436 -2.160 -1.634 171 2HG MET 25 1HG MET 25 -8.730 -2.112 -1.197 172 1HE MET 25 1HE MET 25 -7.832 -4.679 -2.224 173 2HE MET 25 2HE MET 25 -9.174 -3.938 -3.095 174 3HE MET 25 3HE MET 25 -9.237 -5.647 -2.668 175 H ASN 26 H ASN 26 -11.385 1.174 0.729 176 HA ASN 26 HA ASN 26 -11.017 2.551 3.069 177 1HB ASN 26 2HB ASN 26 -13.819 1.746 2.518 178 2HB ASN 26 1HB ASN 26 -13.160 3.333 2.874 179 1HD2 ASN 26 1HD2 ASN 26 -13.881 1.019 0.408 180 2HD2 ASN 26 2HD2 ASN 26 -13.598 2.057 -0.942 181 H ARG 27 H ARG 27 -10.860 2.001 5.100 182 HA ARG 27 HA ARG 27 -11.203 0.990 7.110 183 1HB ARG 27 2HB ARG 27 -13.644 0.676 5.881 184 2HB ARG 27 1HB ARG 27 -13.199 -0.983 6.258 185 1HG ARG 27 2HG ARG 27 -12.652 0.642 8.531 186 2HG ARG 27 1HG ARG 27 -14.290 0.979 7.971 187 1HD ARG 27 2HD ARG 27 -13.233 -1.807 8.394 188 2HD ARG 27 1HD ARG 27 -14.057 -0.889 9.654 189 HE ARG 27 HE ARG 27 -15.267 -2.260 7.484 190 1HH1 ARG 27 1HH1 ARG 27 -15.573 0.603 9.458 191 2HH1 ARG 27 2HH1 ARG 27 -17.286 0.726 9.234 192 1HH2 ARG 27 1HH2 ARG 27 -17.520 -2.099 7.189 193 2HH2 ARG 27 2HH2 ARG 27 -18.391 -0.807 7.946 194 H LYS 28 H LYS 28 -9.430 0.038 4.996 195 HA LYS 28 HA LYS 28 -8.305 -2.170 6.247 196 1HB LYS 28 2HB LYS 28 -10.264 -3.436 5.541 197 2HB LYS 28 1HB LYS 28 -10.019 -2.934 3.876 198 1HG LYS 28 2HG LYS 28 -9.268 -5.210 4.206 199 2HG LYS 28 1HG LYS 28 -7.902 -4.161 3.821 200 1HD LYS 28 2HD LYS 28 -6.946 -4.447 5.846 201 2HD LYS 28 1HD LYS 28 -8.497 -4.460 6.689 202 1HE LYS 28 2HE LYS 28 -7.866 -6.773 4.943 203 2HE LYS 28 1HE LYS 28 -6.972 -6.631 6.456 204 1HZ LYS 28 1HZ LYS 28 -8.852 -7.906 6.954 205 2HZ LYS 28 2HZ LYS 28 -9.894 -6.901 6.078 206 3HZ LYS 28 3HZ LYS 28 -9.228 -6.362 7.537 207 H CYS 29 H CYS 29 -6.374 -1.209 5.797 208 HA CYS 29 HA CYS 29 -5.623 -0.245 3.250 209 1HB CYS 29 2HB CYS 29 -4.698 0.301 5.603 210 2HB CYS 29 1HB CYS 29 -3.634 -1.050 5.290 211 H LYS 30 H LYS 30 -3.725 -1.056 2.020 212 HA LYS 30 HA LYS 30 -2.616 -3.563 2.243 213 1HB LYS 30 2HB LYS 30 -5.352 -3.645 1.208 214 2HB LYS 30 1HB LYS 30 -4.190 -4.413 0.135 215 1HG LYS 30 2HG LYS 30 -3.823 -6.132 1.542 216 2HG LYS 30 1HG LYS 30 -3.962 -5.123 2.983 217 1HD LYS 30 2HD LYS 30 -6.443 -5.037 2.545 218 2HD LYS 30 1HD LYS 30 -6.188 -6.274 1.312 219 1HE LYS 30 2HE LYS 30 -4.933 -7.479 3.306 220 2HE LYS 30 1HE LYS 30 -6.005 -6.467 4.273 221 1HZ LYS 30 1HZ LYS 30 -7.188 -8.427 3.955 222 2HZ LYS 30 2HZ LYS 30 -6.720 -8.579 2.337 223 3HZ LYS 30 3HZ LYS 30 -7.839 -7.392 2.786 224 H CYS 31 H CYS 31 -1.024 -2.148 1.530 225 HA CYS 31 HA CYS 31 -0.744 -0.644 -0.730 226 1HB CYS 31 2HB CYS 31 1.412 -2.575 0.077 227 2HB CYS 31 1HB CYS 31 1.582 -0.948 -0.572 228 H ASN 32 H ASN 32 0.567 -1.108 -2.628 229 HA ASN 32 HA ASN 32 -0.523 -3.419 -4.074 230 1HB ASN 32 2HB ASN 32 -0.804 -0.869 -4.585 231 2HB ASN 32 1HB ASN 32 0.733 -1.099 -5.369 232 1HD2 ASN 32 1HD2 ASN 32 0.578 -1.504 -7.457 233 2HD2 ASN 32 2HD2 ASN 32 -0.718 -2.335 -8.241 234 H ARG 33 H ARG 33 0.992 -3.508 -6.185 235 HA ARG 33 HA ARG 33 3.351 -4.907 -5.388 236 1HB ARG 33 2HB ARG 33 2.545 -3.950 -8.132 237 2HB ARG 33 1HB ARG 33 3.744 -5.183 -7.765 238 1HG ARG 33 2HG ARG 33 0.819 -5.403 -7.093 239 2HG ARG 33 1HG ARG 33 1.574 -6.091 -8.532 240 1HD ARG 33 2HD ARG 33 2.806 -7.634 -7.297 241 2HD ARG 33 1HD ARG 33 2.622 -6.724 -5.798 242 HE ARG 33 HE ARG 33 0.141 -7.713 -6.858 243 1HH1 ARG 33 1HH1 ARG 33 2.905 -8.474 -4.868 244 2HH1 ARG 33 2HH1 ARG 33 2.072 -9.689 -3.958 245 1HH2 ARG 33 1HH2 ARG 33 -0.956 -9.310 -5.662 246 2HH2 ARG 33 2HH2 ARG 33 -0.119 -10.164 -4.408 247 H CYS 34 H CYS 34 5.351 -4.462 -6.588 248 HA CYS 34 HA CYS 34 7.286 -3.335 -6.572 249 1HB CYS 34 2HB CYS 34 6.841 -2.610 -8.583 250 2HB CYS 34 1HB CYS 34 5.219 -2.144 -8.157 Start of MODEL 5 1 1H VAL 1 1HT VAL 1 -8.785 1.350 -6.900 2 2H VAL 1 2HT VAL 1 -8.863 0.546 -5.386 3 3H VAL 1 3HT VAL 1 -8.650 -0.357 -6.830 4 HA VAL 1 HA VAL 1 -6.640 -0.091 -5.500 5 HB VAL 1 HB VAL 1 -5.208 0.605 -7.404 6 1HG1 VAL 1 1HG1 VAL 1 -7.485 -1.182 -8.246 7 2HG1 VAL 1 2HG1 VAL 1 -6.147 -1.682 -7.213 8 3HG1 VAL 1 3HG1 VAL 1 -5.838 -1.189 -8.878 9 1HG2 VAL 1 1HG2 VAL 1 -7.837 1.256 -8.733 10 2HG2 VAL 1 2HG2 VAL 1 -6.263 1.224 -9.530 11 3HG2 VAL 1 3HG2 VAL 1 -6.590 2.413 -8.269 12 H SER 2 H SER 2 -5.210 1.218 -4.474 13 HA SER 2 HA SER 2 -4.343 3.080 -3.496 14 1HB SER 2 2HB SER 2 -5.482 4.753 -5.723 15 2HB SER 2 1HB SER 2 -3.990 4.993 -4.814 16 HG SER 2 HG SER 2 -3.552 4.167 -6.882 17 H CYS 3 H CYS 3 -4.970 4.519 -1.950 18 HA CYS 3 HA CYS 3 -7.851 5.129 -1.826 19 1HB CYS 3 2HB CYS 3 -6.027 4.924 0.565 20 2HB CYS 3 1HB CYS 3 -7.786 4.933 0.540 21 H THR 4 H THR 4 -8.269 7.041 -0.289 22 HA THR 4 HA THR 4 -6.219 9.115 -0.546 23 HB THR 4 HB THR 4 -8.169 10.702 -1.166 24 HG1 THR 4 1HG THR 4 -9.739 8.944 -0.843 25 1HG2 THR 4 1HG2 THR 4 -7.120 10.739 -3.105 26 2HG2 THR 4 2HG2 THR 4 -8.010 9.298 -3.600 27 3HG2 THR 4 3HG2 THR 4 -6.446 9.138 -2.800 28 H GLY 5 H GLY 5 -7.221 7.521 1.680 29 1HA GLY 5 2HA GLY 5 -8.940 9.210 3.251 30 2HA GLY 5 1HA GLY 5 -8.134 7.746 3.793 31 H SER 6 H SER 6 -6.862 8.141 5.459 32 HA SER 6 HA SER 6 -4.784 10.098 5.323 33 1HB SER 6 2HB SER 6 -6.814 10.546 7.511 34 2HB SER 6 1HB SER 6 -5.475 11.590 7.034 35 HG SER 6 HG SER 6 -7.998 11.523 6.094 36 H LYS 7 H LYS 7 -5.022 10.182 8.422 37 HA LYS 7 HA LYS 7 -3.846 9.217 10.087 38 1HB LYS 7 2HB LYS 7 -4.759 7.224 10.910 39 2HB LYS 7 1HB LYS 7 -6.069 8.005 10.043 40 1HG LYS 7 2HG LYS 7 -4.771 6.310 8.202 41 2HG LYS 7 1HG LYS 7 -4.970 5.397 9.696 42 1HD LYS 7 2HD LYS 7 -7.097 5.049 9.148 43 2HD LYS 7 1HD LYS 7 -7.382 6.784 9.304 44 1HE LYS 7 2HE LYS 7 -8.129 6.067 7.139 45 2HE LYS 7 1HE LYS 7 -6.686 7.062 6.949 46 1HZ LYS 7 1HZ LYS 7 -6.281 5.280 5.562 47 2HZ LYS 7 2HZ LYS 7 -6.979 4.151 6.609 48 3HZ LYS 7 3HZ LYS 7 -5.467 4.817 6.970 49 H ASP 8 H ASP 8 -2.528 9.220 7.504 50 HA ASP 8 HA ASP 8 -0.687 8.448 6.469 51 1HB ASP 8 2HB ASP 8 1.133 7.665 7.872 52 2HB ASP 8 1HB ASP 8 0.324 9.031 8.623 53 H CYS 9 H CYS 9 -2.490 7.016 5.626 54 HA CYS 9 HA CYS 9 -2.130 4.200 6.207 55 1HB CYS 9 2HB CYS 9 -4.309 5.513 5.499 56 2HB CYS 9 1HB CYS 9 -3.746 5.054 3.903 57 H TYR 10 H TYR 10 -2.175 5.978 3.159 58 HA TYR 10 HA TYR 10 -0.712 4.049 1.719 59 1HB TYR 10 2HB TYR 10 -2.091 6.423 1.168 60 2HB TYR 10 1HB TYR 10 -0.438 6.738 0.658 61 HD1 TYR 10 1HD TYR 10 -2.144 3.446 0.508 62 HD2 TYR 10 2HD TYR 10 -0.769 6.833 -1.668 63 HE1 TYR 10 1HE TYR 10 -2.584 2.262 -1.603 64 HE2 TYR 10 2HE TYR 10 -1.204 5.661 -3.783 65 HH TYR 10 HH TYR 10 -1.799 3.729 -4.738 66 H ALA 11 H ALA 11 0.305 6.382 3.989 67 HA ALA 11 HA ALA 11 2.850 6.983 2.879 68 1HB ALA 11 1HB ALA 11 2.303 8.595 4.369 69 2HB ALA 11 2HB ALA 11 3.268 7.573 5.434 70 3HB ALA 11 3HB ALA 11 1.507 7.469 5.468 71 HA PRO 12 HA PRO 12 4.785 4.030 6.298 72 1HB PRO 12 2HB PRO 12 2.859 2.069 6.950 73 2HB PRO 12 1HB PRO 12 3.474 3.341 8.007 74 1HG PRO 12 2HG PRO 12 0.981 3.267 6.383 75 2HG PRO 12 1HG PRO 12 1.275 4.016 7.962 76 1HD PRO 12 2HD PRO 12 1.094 5.508 5.763 77 2HD PRO 12 1HD PRO 12 2.292 5.891 7.019 78 H CYS 13 H CYS 13 2.418 3.110 3.904 79 HA CYS 13 HA CYS 13 3.879 0.688 3.247 80 1HB CYS 13 2HB CYS 13 1.195 1.534 3.017 81 2HB CYS 13 1HB CYS 13 1.794 1.122 1.425 82 H ARG 14 H ARG 14 2.864 3.688 1.594 83 HA ARG 14 HA ARG 14 3.962 3.181 -0.861 84 1HB ARG 14 2HB ARG 14 2.629 5.158 -0.490 85 2HB ARG 14 1HB ARG 14 3.830 5.812 0.615 86 1HG ARG 14 2HG ARG 14 5.156 5.311 -1.818 87 2HG ARG 14 1HG ARG 14 3.631 6.102 -2.218 88 1HD ARG 14 2HD ARG 14 5.674 7.101 -0.235 89 2HD ARG 14 1HD ARG 14 5.429 7.727 -1.865 90 HE ARG 14 HE ARG 14 3.907 8.362 0.454 91 1HH1 ARG 14 1HH1 ARG 14 3.668 7.942 -3.002 92 2HH1 ARG 14 2HH1 ARG 14 2.307 9.002 -3.162 93 1HH2 ARG 14 1HH2 ARG 14 2.117 9.755 0.246 94 2HH2 ARG 14 2HH2 ARG 14 1.427 10.031 -1.319 95 H LYS 15 H LYS 15 5.599 4.029 2.091 96 HA LYS 15 HA LYS 15 8.090 4.729 0.960 97 1HB LYS 15 2HB LYS 15 7.027 4.502 3.544 98 2HB LYS 15 1HB LYS 15 8.351 3.346 3.498 99 1HG LYS 15 2HG LYS 15 8.532 6.280 2.848 100 2HG LYS 15 1HG LYS 15 9.114 5.493 4.316 101 1HD LYS 15 2HD LYS 15 10.959 4.681 3.301 102 2HD LYS 15 1HD LYS 15 10.107 4.352 1.790 103 1HE LYS 15 2HE LYS 15 11.889 6.131 1.676 104 2HE LYS 15 1HE LYS 15 10.296 6.604 1.086 105 1HZ LYS 15 1HZ LYS 15 9.875 7.738 3.150 106 2HZ LYS 15 2HZ LYS 15 11.330 8.302 2.499 107 3HZ LYS 15 3HZ LYS 15 11.349 7.216 3.795 108 H GLN 16 H GLN 16 6.757 1.677 2.164 109 HA GLN 16 HA GLN 16 9.037 0.117 1.482 110 1HB GLN 16 2HB GLN 16 6.225 -0.897 1.865 111 2HB GLN 16 1HB GLN 16 7.730 -1.777 2.102 112 1HG GLN 16 2HG GLN 16 8.043 0.294 3.831 113 2HG GLN 16 1HG GLN 16 6.300 0.037 3.898 114 1HE2 GLN 16 1HE2 GLN 16 8.851 -0.604 5.592 115 2HE2 GLN 16 2HE2 GLN 16 8.529 -2.207 6.147 116 H THR 17 H THR 17 5.764 0.245 0.035 117 HA THR 17 HA THR 17 6.498 -1.334 -2.201 118 HB THR 17 HB THR 17 4.191 -1.180 -1.322 119 HG1 THR 17 1HG THR 17 4.324 -1.933 -3.377 120 1HG2 THR 17 1HG2 THR 17 2.763 0.679 -1.968 121 2HG2 THR 17 2HG2 THR 17 4.157 1.539 -2.612 122 3HG2 THR 17 3HG2 THR 17 4.046 1.211 -0.885 123 H GLY 18 H GLY 18 5.952 2.134 -1.831 124 1HA GLY 18 2HA GLY 18 6.997 3.853 -3.004 125 2HA GLY 18 1HA GLY 18 7.678 2.644 -4.078 126 H CYS 19 H CYS 19 6.971 4.233 -5.760 127 HA CYS 19 HA CYS 19 5.504 5.059 -7.300 128 1HB CYS 19 2HB CYS 19 3.996 3.284 -8.248 129 2HB CYS 19 1HB CYS 19 5.727 3.057 -8.312 130 HA PRO 20 HA PRO 20 1.634 6.390 -5.679 131 1HB PRO 20 2HB PRO 20 0.235 6.388 -8.199 132 2HB PRO 20 1HB PRO 20 0.978 7.748 -7.358 133 1HG PRO 20 2HG PRO 20 1.896 6.721 -9.731 134 2HG PRO 20 1HG PRO 20 2.904 7.607 -8.573 135 1HD PRO 20 2HD PRO 20 2.662 4.654 -9.009 136 2HD PRO 20 1HD PRO 20 4.108 5.632 -8.673 137 H TYR 21 H TYR 21 1.610 3.396 -7.407 138 HA TYR 21 HA TYR 21 -1.118 2.767 -7.161 139 1HB TYR 21 2HB TYR 21 0.842 0.562 -7.206 140 2HB TYR 21 1HB TYR 21 -0.549 0.865 -8.217 141 HD1 TYR 21 1HD TYR 21 2.759 0.344 -8.462 142 HD2 TYR 21 2HD TYR 21 -0.109 3.273 -9.600 143 HE1 TYR 21 1HE TYR 21 4.236 1.072 -10.289 144 HE2 TYR 21 2HE TYR 21 1.360 4.009 -11.431 145 HH TYR 21 HH TYR 21 3.738 3.954 -12.019 146 H GLY 22 H GLY 22 -1.927 0.888 -5.906 147 1HA GLY 22 2HA GLY 22 -0.662 -0.068 -3.580 148 2HA GLY 22 1HA GLY 22 -1.677 1.287 -3.141 149 H LYS 23 H LYS 23 -1.977 -1.537 -2.365 150 HA LYS 23 HA LYS 23 -4.495 -2.169 -3.732 151 1HB LYS 23 2HB LYS 23 -2.390 -3.822 -3.329 152 2HB LYS 23 1HB LYS 23 -3.323 -4.151 -1.877 153 1HG LYS 23 2HG LYS 23 -4.198 -5.719 -3.271 154 2HG LYS 23 1HG LYS 23 -5.298 -4.380 -3.603 155 1HD LYS 23 2HD LYS 23 -4.151 -3.828 -5.613 156 2HD LYS 23 1HD LYS 23 -2.817 -4.918 -5.223 157 1HE LYS 23 2HE LYS 23 -3.975 -6.779 -5.845 158 2HE LYS 23 1HE LYS 23 -5.534 -6.092 -5.391 159 1HZ LYS 23 1HZ LYS 23 -5.597 -4.823 -7.372 160 2HZ LYS 23 2HZ LYS 23 -5.173 -6.395 -7.828 161 3HZ LYS 23 3HZ LYS 23 -3.989 -5.190 -7.756 162 H CYS 24 H CYS 24 -3.888 -0.229 -1.505 163 HA CYS 24 HA CYS 24 -4.983 -1.208 0.896 164 1HB CYS 24 2HB CYS 24 -5.011 1.101 1.607 165 2HB CYS 24 1HB CYS 24 -3.538 0.803 0.699 166 H MET 25 H MET 25 -6.991 -1.101 1.761 167 HA MET 25 HA MET 25 -9.185 -0.115 0.072 168 1HB MET 25 2HB MET 25 -8.713 -2.755 0.273 169 2HB MET 25 1HB MET 25 -9.687 -2.534 1.720 170 1HG MET 25 2HG MET 25 -11.570 -1.970 0.535 171 2HG MET 25 1HG MET 25 -10.654 -1.422 -0.868 172 1HE MET 25 1HE MET 25 -9.759 -4.461 -2.821 173 2HE MET 25 2HE MET 25 -9.326 -2.826 -2.320 174 3HE MET 25 3HE MET 25 -10.844 -3.116 -3.169 175 H ASN 26 H ASN 26 -10.956 0.692 1.164 176 HA ASN 26 HA ASN 26 -10.538 2.116 3.468 177 1HB ASN 26 2HB ASN 26 -13.288 1.047 3.042 178 2HB ASN 26 1HB ASN 26 -12.777 2.672 3.472 179 1HD2 ASN 26 1HD2 ASN 26 -12.184 4.107 1.871 180 2HD2 ASN 26 2HD2 ASN 26 -12.516 3.825 0.199 181 H ARG 27 H ARG 27 -10.287 1.648 5.516 182 HA ARG 27 HA ARG 27 -10.444 0.642 7.551 183 1HB ARG 27 2HB ARG 27 -12.853 -0.012 6.410 184 2HB ARG 27 1HB ARG 27 -12.181 -1.594 6.780 185 1HG ARG 27 2HG ARG 27 -12.519 -1.347 8.968 186 2HG ARG 27 1HG ARG 27 -11.897 0.304 8.969 187 1HD ARG 27 2HD ARG 27 -14.152 0.496 9.604 188 2HD ARG 27 1HD ARG 27 -14.106 0.973 7.906 189 HE ARG 27 HE ARG 27 -14.698 -1.811 8.308 190 1HH1 ARG 27 1HH1 ARG 27 -16.049 1.402 8.118 191 2HH1 ARG 27 2HH1 ARG 27 -17.628 0.846 7.675 192 1HH2 ARG 27 1HH2 ARG 27 -16.774 -2.542 7.724 193 2HH2 ARG 27 2HH2 ARG 27 -18.040 -1.393 7.451 194 H LYS 28 H LYS 28 -8.629 -0.121 5.388 195 HA LYS 28 HA LYS 28 -7.080 -2.025 6.608 196 1HB LYS 28 2HB LYS 28 -8.875 -3.649 6.284 197 2HB LYS 28 1HB LYS 28 -8.906 -3.305 4.561 198 1HG LYS 28 2HG LYS 28 -7.636 -5.161 4.475 199 2HG LYS 28 1HG LYS 28 -6.336 -4.019 4.821 200 1HD LYS 28 2HD LYS 28 -5.922 -5.599 6.427 201 2HD LYS 28 1HD LYS 28 -7.008 -4.529 7.317 202 1HE LYS 28 2HE LYS 28 -7.702 -7.124 5.952 203 2HE LYS 28 1HE LYS 28 -7.711 -6.790 7.683 204 1HZ LYS 28 1HZ LYS 28 -9.515 -5.223 7.338 205 2HZ LYS 28 2HZ LYS 28 -9.942 -6.753 6.757 206 3HZ LYS 28 3HZ LYS 28 -9.501 -5.531 5.674 207 H CYS 29 H CYS 29 -5.383 -0.854 5.817 208 HA CYS 29 HA CYS 29 -5.115 -0.110 3.106 209 1HB CYS 29 2HB CYS 29 -3.920 0.457 5.555 210 2HB CYS 29 1HB CYS 29 -2.663 -0.113 4.509 211 H LYS 30 H LYS 30 -3.128 -0.722 1.855 212 HA LYS 30 HA LYS 30 -1.627 -2.992 2.294 213 1HB LYS 30 2HB LYS 30 -4.341 -3.623 1.520 214 2HB LYS 30 1HB LYS 30 -3.202 -4.219 0.320 215 1HG LYS 30 2HG LYS 30 -2.114 -5.595 1.870 216 2HG LYS 30 1HG LYS 30 -2.835 -4.758 3.247 217 1HD LYS 30 2HD LYS 30 -4.631 -6.094 1.280 218 2HD LYS 30 1HD LYS 30 -3.749 -7.094 2.437 219 1HE LYS 30 2HE LYS 30 -4.697 -5.829 4.282 220 2HE LYS 30 1HE LYS 30 -5.533 -4.768 3.149 221 1HZ LYS 30 1HZ LYS 30 -6.662 -6.896 4.258 222 2HZ LYS 30 2HZ LYS 30 -6.048 -7.614 2.856 223 3HZ LYS 30 3HZ LYS 30 -7.110 -6.303 2.738 224 H CYS 31 H CYS 31 -0.318 -1.403 1.377 225 HA CYS 31 HA CYS 31 -0.289 -0.149 -1.024 226 1HB CYS 31 2HB CYS 31 2.251 -0.896 -1.067 227 2HB CYS 31 1HB CYS 31 1.648 0.287 0.077 228 H ASN 32 H ASN 32 1.048 -0.602 -2.901 229 HA ASN 32 HA ASN 32 0.007 -2.935 -4.254 230 1HB ASN 32 2HB ASN 32 0.305 -0.449 -5.053 231 2HB ASN 32 1HB ASN 32 1.887 -1.025 -5.493 232 1HD2 ASN 32 1HD2 ASN 32 -1.388 -2.363 -5.652 233 2HD2 ASN 32 2HD2 ASN 32 -1.322 -2.786 -7.326 234 H ARG 33 H ARG 33 1.652 -3.788 -5.984 235 HA ARG 33 HA ARG 33 4.042 -4.679 -4.515 236 1HB ARG 33 2HB ARG 33 2.344 -6.428 -5.216 237 2HB ARG 33 1HB ARG 33 2.757 -6.053 -6.883 238 1HG ARG 33 2HG ARG 33 3.994 -7.972 -6.297 239 2HG ARG 33 1HG ARG 33 5.137 -6.629 -6.308 240 1HD ARG 33 2HD ARG 33 4.450 -6.511 -3.752 241 2HD ARG 33 1HD ARG 33 4.076 -8.212 -4.027 242 HE ARG 33 HE ARG 33 6.679 -7.011 -3.888 243 1HH1 ARG 33 1HH1 ARG 33 4.840 -9.693 -5.152 244 2HH1 ARG 33 2HH1 ARG 33 6.216 -10.738 -5.280 245 1HH2 ARG 33 1HH2 ARG 33 8.489 -8.384 -4.056 246 2HH2 ARG 33 2HH2 ARG 33 8.287 -9.995 -4.658 247 H CYS 34 H CYS 34 5.188 -2.839 -5.096 248 HA CYS 34 HA CYS 34 5.657 -2.230 -7.870 249 1HB CYS 34 2HB CYS 34 5.696 -0.786 -5.564 250 2HB CYS 34 1HB CYS 34 7.400 -0.958 -5.932 Start of MODEL 6 1 1H VAL 1 1HT VAL 1 -12.933 2.747 -5.984 2 2H VAL 1 2HT VAL 1 -12.934 1.036 -6.129 3 3H VAL 1 3HT VAL 1 -11.454 1.904 -6.183 4 HA VAL 1 HA VAL 1 -13.280 1.741 -3.882 5 HB VAL 1 HB VAL 1 -11.373 0.460 -2.859 6 1HG1 VAL 1 1HG1 VAL 1 -13.529 -0.443 -4.136 7 2HG1 VAL 1 2HG1 VAL 1 -12.321 -1.522 -3.437 8 3HG1 VAL 1 3HG1 VAL 1 -12.289 -1.162 -5.164 9 1HG2 VAL 1 1HG2 VAL 1 -9.762 -0.609 -4.327 10 2HG2 VAL 1 2HG2 VAL 1 -9.651 1.144 -4.479 11 3HG2 VAL 1 3HG2 VAL 1 -10.468 0.201 -5.726 12 H SER 2 H SER 2 -12.767 3.028 -2.180 13 HA SER 2 HA SER 2 -10.545 4.915 -2.588 14 1HB SER 2 2HB SER 2 -12.010 6.187 -0.746 15 2HB SER 2 1HB SER 2 -12.345 6.330 -2.471 16 HG SER 2 HG SER 2 -14.239 5.843 -1.329 17 H CYS 3 H CYS 3 -9.023 5.184 -1.034 18 HA CYS 3 HA CYS 3 -8.608 3.146 0.864 19 1HB CYS 3 2HB CYS 3 -7.357 5.895 0.760 20 2HB CYS 3 1HB CYS 3 -6.746 4.519 1.669 21 H THR 4 H THR 4 -7.977 3.903 3.196 22 HA THR 4 HA THR 4 -10.463 4.855 4.378 23 HB THR 4 HB THR 4 -9.642 2.820 5.314 24 HG1 THR 4 1HG THR 4 -8.896 4.865 7.126 25 1HG2 THR 4 1HG2 THR 4 -7.063 3.952 4.913 26 2HG2 THR 4 2HG2 THR 4 -7.500 2.301 5.353 27 3HG2 THR 4 3HG2 THR 4 -7.244 3.511 6.611 28 H GLY 5 H GLY 5 -8.421 6.657 3.085 29 1HA GLY 5 2HA GLY 5 -7.349 8.655 3.492 30 2HA GLY 5 1HA GLY 5 -8.703 8.923 4.577 31 H SER 6 H SER 6 -6.346 6.384 5.078 32 HA SER 6 HA SER 6 -5.847 7.049 7.734 33 1HB SER 6 2HB SER 6 -3.562 5.740 6.497 34 2HB SER 6 1HB SER 6 -4.676 5.132 7.720 35 HG SER 6 HG SER 6 -5.110 3.856 6.046 36 H LYS 7 H LYS 7 -3.618 7.565 8.620 37 HA LYS 7 HA LYS 7 -2.483 9.822 7.104 38 1HB LYS 7 2HB LYS 7 -2.506 9.479 10.105 39 2HB LYS 7 1HB LYS 7 -1.971 10.894 9.208 40 1HG LYS 7 2HG LYS 7 -4.021 11.668 9.652 41 2HG LYS 7 1HG LYS 7 -4.514 10.641 8.304 42 1HD LYS 7 2HD LYS 7 -4.338 9.288 10.910 43 2HD LYS 7 1HD LYS 7 -5.589 10.527 10.790 44 1HE LYS 7 2HE LYS 7 -5.935 9.215 8.445 45 2HE LYS 7 1HE LYS 7 -5.390 7.900 9.485 46 1HZ LYS 7 1HZ LYS 7 -7.230 8.050 10.798 47 2HZ LYS 7 2HZ LYS 7 -7.905 8.536 9.326 48 3HZ LYS 7 3HZ LYS 7 -7.482 9.694 10.483 49 H ASP 8 H ASP 8 -1.820 6.860 8.776 50 HA ASP 8 HA ASP 8 1.030 7.190 8.130 51 1HB ASP 8 2HB ASP 8 0.164 7.228 10.681 52 2HB ASP 8 1HB ASP 8 0.352 5.491 10.462 53 H CYS 9 H CYS 9 -1.090 5.899 6.610 54 HA CYS 9 HA CYS 9 -0.329 3.082 6.826 55 1HB CYS 9 2HB CYS 9 -2.786 3.923 6.759 56 2HB CYS 9 1HB CYS 9 -2.493 4.026 5.039 57 H TYR 10 H TYR 10 -1.331 5.111 4.129 58 HA TYR 10 HA TYR 10 0.177 3.756 2.208 59 1HB TYR 10 2HB TYR 10 -1.346 6.269 2.352 60 2HB TYR 10 1HB TYR 10 -0.052 6.278 1.161 61 HD1 TYR 10 1HD TYR 10 -1.876 6.572 -0.529 62 HD2 TYR 10 2HD TYR 10 -1.541 3.052 1.838 63 HE1 TYR 10 1HE TYR 10 -3.321 5.373 -2.115 64 HE2 TYR 10 2HE TYR 10 -2.978 1.845 0.257 65 HH TYR 10 HH TYR 10 -3.899 3.192 -2.799 66 H ALA 11 H ALA 11 1.166 5.997 4.608 67 HA ALA 11 HA ALA 11 3.441 7.018 3.222 68 1HB ALA 11 1HB ALA 11 4.115 7.449 5.782 69 2HB ALA 11 2HB ALA 11 2.379 7.203 5.969 70 3HB ALA 11 3HB ALA 11 2.978 8.466 4.895 71 HA PRO 12 HA PRO 12 6.154 4.053 5.956 72 1HB PRO 12 2HB PRO 12 4.647 1.974 7.054 73 2HB PRO 12 1HB PRO 12 5.281 3.365 7.937 74 1HG PRO 12 2HG PRO 12 2.550 2.907 6.827 75 2HG PRO 12 1HG PRO 12 3.032 3.705 8.336 76 1HD PRO 12 2HD PRO 12 2.250 5.122 6.205 77 2HD PRO 12 1HD PRO 12 3.563 5.694 7.258 78 H CYS 13 H CYS 13 3.379 3.137 4.099 79 HA CYS 13 HA CYS 13 4.582 0.697 3.127 80 1HB CYS 13 2HB CYS 13 2.004 1.527 3.475 81 2HB CYS 13 1HB CYS 13 2.219 1.631 1.740 82 H ARG 14 H ARG 14 3.495 3.793 1.741 83 HA ARG 14 HA ARG 14 4.257 3.357 -0.855 84 1HB ARG 14 2HB ARG 14 3.022 5.343 -0.252 85 2HB ARG 14 1HB ARG 14 4.362 5.933 0.720 86 1HG ARG 14 2HG ARG 14 5.508 6.698 -1.072 87 2HG ARG 14 1HG ARG 14 4.928 5.412 -2.132 88 1HD ARG 14 2HD ARG 14 2.718 6.514 -2.198 89 2HD ARG 14 1HD ARG 14 3.368 7.826 -1.217 90 HE ARG 14 HE ARG 14 3.758 7.408 -4.026 91 1HH1 ARG 14 1HH1 ARG 14 5.129 8.827 -1.148 92 2HH1 ARG 14 2HH1 ARG 14 6.061 9.998 -2.018 93 1HH2 ARG 14 1HH2 ARG 14 4.983 8.949 -5.172 94 2HH2 ARG 14 2HH2 ARG 14 5.977 10.068 -4.302 95 H LYS 15 H LYS 15 6.242 4.160 1.896 96 HA LYS 15 HA LYS 15 8.606 4.806 0.502 97 1HB LYS 15 2HB LYS 15 7.827 4.235 3.239 98 2HB LYS 15 1HB LYS 15 9.387 3.519 2.864 99 1HG LYS 15 2HG LYS 15 10.045 5.573 3.600 100 2HG LYS 15 1HG LYS 15 9.880 5.901 1.874 101 1HD LYS 15 2HD LYS 15 7.359 6.405 2.729 102 2HD LYS 15 1HD LYS 15 8.291 6.880 4.150 103 1HE LYS 15 2HE LYS 15 9.574 8.439 2.876 104 2HE LYS 15 1HE LYS 15 8.897 7.842 1.361 105 1HZ LYS 15 1HZ LYS 15 6.915 8.901 1.724 106 2HZ LYS 15 2HZ LYS 15 7.978 9.999 2.449 107 3HZ LYS 15 3HZ LYS 15 7.089 8.926 3.407 108 H GLN 16 H GLN 16 7.320 1.770 1.782 109 HA GLN 16 HA GLN 16 9.487 0.159 0.888 110 1HB GLN 16 2HB GLN 16 7.503 -0.228 2.656 111 2HB GLN 16 1HB GLN 16 6.824 -1.080 1.275 112 1HG GLN 16 2HG GLN 16 9.621 -1.623 2.181 113 2HG GLN 16 1HG GLN 16 8.246 -2.381 2.981 114 1HE2 GLN 16 1HE2 GLN 16 8.059 -4.388 2.310 115 2HE2 GLN 16 2HE2 GLN 16 8.201 -4.937 0.678 116 H THR 17 H THR 17 6.109 0.369 -0.294 117 HA THR 17 HA THR 17 6.638 -1.199 -2.598 118 HB THR 17 HB THR 17 4.417 -1.169 -1.732 119 HG1 THR 17 1HG THR 17 4.728 -1.130 -4.087 120 1HG2 THR 17 1HG2 THR 17 3.977 0.784 -0.638 121 2HG2 THR 17 2HG2 THR 17 3.081 1.041 -2.134 122 3HG2 THR 17 3HG2 THR 17 4.666 1.784 -1.915 123 H GLY 18 H GLY 18 6.942 2.194 -1.949 124 1HA GLY 18 2HA GLY 18 7.909 3.814 -3.289 125 2HA GLY 18 1HA GLY 18 8.115 2.602 -4.519 126 H CYS 19 H CYS 19 6.745 2.461 -6.099 127 HA CYS 19 HA CYS 19 5.453 4.251 -7.376 128 1HB CYS 19 2HB CYS 19 3.640 2.602 -7.979 129 2HB CYS 19 1HB CYS 19 5.313 2.225 -8.323 130 HA PRO 20 HA PRO 20 2.361 6.298 -4.930 131 1HB PRO 20 2HB PRO 20 1.052 6.940 -7.498 132 2HB PRO 20 1HB PRO 20 1.682 8.022 -6.252 133 1HG PRO 20 2HG PRO 20 2.939 7.717 -8.592 134 2HG PRO 20 1HG PRO 20 3.839 7.932 -7.079 135 1HD PRO 20 2HD PRO 20 3.314 5.428 -8.634 136 2HD PRO 20 1HD PRO 20 4.796 5.955 -7.812 137 H TYR 21 H TYR 21 1.640 3.676 -7.038 138 HA TYR 21 HA TYR 21 -1.159 3.654 -6.781 139 1HB TYR 21 2HB TYR 21 0.263 1.089 -7.141 140 2HB TYR 21 1HB TYR 21 -1.053 1.793 -8.044 141 HD1 TYR 21 1HD TYR 21 1.881 0.490 -8.691 142 HD2 TYR 21 2HD TYR 21 0.031 4.307 -9.015 143 HE1 TYR 21 1HE TYR 21 3.425 1.077 -10.512 144 HE2 TYR 21 2HE TYR 21 1.570 4.905 -10.837 145 HH TYR 21 HH TYR 21 4.332 3.022 -11.603 146 H GLY 22 H GLY 22 -2.365 1.883 -5.686 147 1HA GLY 22 2HA GLY 22 -1.116 0.767 -3.316 148 2HA GLY 22 1HA GLY 22 -2.361 1.948 -3.013 149 H LYS 23 H LYS 23 -2.358 -0.856 -2.244 150 HA LYS 23 HA LYS 23 -4.476 -1.939 -3.951 151 1HB LYS 23 2HB LYS 23 -2.273 -3.185 -2.954 152 2HB LYS 23 1HB LYS 23 -3.459 -3.577 -1.716 153 1HG LYS 23 2HG LYS 23 -4.927 -4.532 -3.417 154 2HG LYS 23 1HG LYS 23 -3.741 -4.133 -4.663 155 1HD LYS 23 2HD LYS 23 -2.095 -5.564 -3.453 156 2HD LYS 23 1HD LYS 23 -3.395 -6.054 -2.364 157 1HE LYS 23 2HE LYS 23 -3.975 -6.312 -5.240 158 2HE LYS 23 1HE LYS 23 -2.718 -7.381 -4.620 159 1HZ LYS 23 1HZ LYS 23 -4.492 -7.794 -2.764 160 2HZ LYS 23 2HZ LYS 23 -4.570 -8.629 -4.234 161 3HZ LYS 23 3HZ LYS 23 -5.573 -7.294 -3.965 162 H CYS 24 H CYS 24 -4.333 0.111 -1.559 163 HA CYS 24 HA CYS 24 -5.690 -0.665 0.640 164 1HB CYS 24 2HB CYS 24 -6.093 1.569 1.029 165 2HB CYS 24 1HB CYS 24 -4.826 1.663 -0.180 166 H MET 25 H MET 25 -7.636 -1.356 1.189 167 HA MET 25 HA MET 25 -9.754 -1.356 -0.862 168 1HB MET 25 2HB MET 25 -8.982 -3.367 1.229 169 2HB MET 25 1HB MET 25 -10.634 -3.309 0.629 170 1HG MET 25 2HG MET 25 -9.421 -3.384 -1.707 171 2HG MET 25 1HG MET 25 -8.135 -4.119 -0.753 172 1HE MET 25 1HE MET 25 -7.962 -6.186 0.034 173 2HE MET 25 2HE MET 25 -9.052 -7.556 -0.174 174 3HE MET 25 3HE MET 25 -9.276 -6.448 1.180 175 H ASN 26 H ASN 26 -11.822 -0.795 -0.270 176 HA ASN 26 HA ASN 26 -12.192 1.241 1.532 177 1HB ASN 26 2HB ASN 26 -14.506 -0.590 1.193 178 2HB ASN 26 1HB ASN 26 -14.435 1.160 1.069 179 1HD2 ASN 26 1HD2 ASN 26 -14.952 1.811 -0.876 180 2HD2 ASN 26 2HD2 ASN 26 -14.508 1.051 -2.363 181 H ARG 27 H ARG 27 -12.135 1.385 3.637 182 HA ARG 27 HA ARG 27 -12.405 0.939 5.853 183 1HB ARG 27 2HB ARG 27 -14.417 -0.554 4.722 184 2HB ARG 27 1HB ARG 27 -13.507 -1.768 5.611 185 1HG ARG 27 2HG ARG 27 -13.834 0.520 7.274 186 2HG ARG 27 1HG ARG 27 -15.402 0.079 6.595 187 1HD ARG 27 2HD ARG 27 -14.751 -2.328 7.282 188 2HD ARG 27 1HD ARG 27 -13.563 -1.540 8.319 189 HE ARG 27 HE ARG 27 -15.259 -1.045 9.750 190 1HH1 ARG 27 1HH1 ARG 27 -16.629 -1.500 6.573 191 2HH1 ARG 27 2HH1 ARG 27 -18.262 -1.301 7.112 192 1HH2 ARG 27 1HH2 ARG 27 -17.407 -0.785 10.461 193 2HH2 ARG 27 2HH2 ARG 27 -18.704 -0.896 9.319 194 H LYS 28 H LYS 28 -10.141 0.117 4.205 195 HA LYS 28 HA LYS 28 -8.514 -1.052 6.102 196 1HB LYS 28 2HB LYS 28 -10.227 -3.002 5.088 197 2HB LYS 28 1HB LYS 28 -8.720 -3.264 4.223 198 1HG LYS 28 2HG LYS 28 -8.748 -4.631 6.189 199 2HG LYS 28 1HG LYS 28 -7.537 -3.364 6.390 200 1HD LYS 28 2HD LYS 28 -9.381 -2.055 7.595 201 2HD LYS 28 1HD LYS 28 -10.246 -3.592 7.667 202 1HE LYS 28 2HE LYS 28 -8.850 -4.456 9.218 203 2HE LYS 28 1HE LYS 28 -7.430 -3.669 8.530 204 1HZ LYS 28 1HZ LYS 28 -9.272 -2.720 10.574 205 2HZ LYS 28 2HZ LYS 28 -8.710 -1.559 9.480 206 3HZ LYS 28 3HZ LYS 28 -7.609 -2.452 10.405 207 H CYS 29 H CYS 29 -6.924 0.270 5.345 208 HA CYS 29 HA CYS 29 -6.293 0.567 2.613 209 1HB CYS 29 2HB CYS 29 -5.541 2.398 3.669 210 2HB CYS 29 1HB CYS 29 -5.311 1.554 5.177 211 H LYS 30 H LYS 30 -4.148 0.112 1.700 212 HA LYS 30 HA LYS 30 -2.326 -1.713 2.667 213 1HB LYS 30 2HB LYS 30 -3.096 -3.718 1.153 214 2HB LYS 30 1HB LYS 30 -3.712 -3.540 2.790 215 1HG LYS 30 2HG LYS 30 -5.791 -2.746 2.032 216 2HG LYS 30 1HG LYS 30 -5.176 -2.467 0.403 217 1HD LYS 30 2HD LYS 30 -6.529 -4.455 0.392 218 2HD LYS 30 1HD LYS 30 -4.841 -4.914 0.164 219 1HE LYS 30 2HE LYS 30 -5.506 -6.452 1.735 220 2HE LYS 30 1HE LYS 30 -4.869 -5.171 2.766 221 1HZ LYS 30 1HZ LYS 30 -7.676 -5.907 2.252 222 2HZ LYS 30 2HZ LYS 30 -7.289 -4.341 2.759 223 3HZ LYS 30 3HZ LYS 30 -6.890 -5.666 3.732 224 H CYS 31 H CYS 31 -1.102 -0.220 1.577 225 HA CYS 31 HA CYS 31 -1.030 0.720 -0.950 226 1HB CYS 31 2HB CYS 31 1.299 0.976 -0.745 227 2HB CYS 31 1HB CYS 31 0.675 1.030 0.899 228 H ASN 32 H ASN 32 0.440 0.182 -2.692 229 HA ASN 32 HA ASN 32 -0.259 -2.419 -3.760 230 1HB ASN 32 2HB ASN 32 -0.322 -0.035 -4.855 231 2HB ASN 32 1HB ASN 32 1.343 -0.412 -5.217 232 1HD2 ASN 32 1HD2 ASN 32 -1.923 -1.716 -5.496 233 2HD2 ASN 32 2HD2 ASN 32 -1.665 -2.529 -6.999 234 H ARG 33 H ARG 33 1.545 -3.214 -5.361 235 HA ARG 33 HA ARG 33 4.213 -3.054 -4.277 236 1HB ARG 33 2HB ARG 33 2.666 -4.992 -3.174 237 2HB ARG 33 1HB ARG 33 3.312 -5.860 -4.560 238 1HG ARG 33 2HG ARG 33 4.721 -6.262 -2.670 239 2HG ARG 33 1HG ARG 33 5.596 -5.247 -3.818 240 1HD ARG 33 2HD ARG 33 5.636 -3.473 -2.418 241 2HD ARG 33 1HD ARG 33 4.030 -3.812 -1.775 242 HE ARG 33 HE ARG 33 6.551 -4.690 -0.708 243 1HH1 ARG 33 1HH1 ARG 33 3.128 -5.350 -0.869 244 2HH1 ARG 33 2HH1 ARG 33 3.102 -6.240 0.616 245 1HH2 ARG 33 1HH2 ARG 33 6.519 -5.861 1.246 246 2HH2 ARG 33 2HH2 ARG 33 5.027 -6.529 1.818 247 H CYS 34 H CYS 34 4.337 -2.080 -6.346 248 HA CYS 34 HA CYS 34 3.977 -3.475 -8.726 249 1HB CYS 34 2HB CYS 34 5.193 -1.478 -9.513 250 2HB CYS 34 1HB CYS 34 3.785 -1.110 -8.586 Start of MODEL 7 1 1H VAL 1 1HT VAL 1 -8.419 6.205 -9.116 2 2H VAL 1 2HT VAL 1 -9.489 6.211 -7.774 3 3H VAL 1 3HT VAL 1 -9.504 4.899 -8.881 4 HA VAL 1 HA VAL 1 -7.599 4.023 -8.121 5 HB VAL 1 HB VAL 1 -5.972 5.276 -6.729 6 1HG1 VAL 1 1HG1 VAL 1 -6.432 6.822 -9.255 7 2HG1 VAL 1 2HG1 VAL 1 -5.952 5.126 -9.298 8 3HG1 VAL 1 3HG1 VAL 1 -4.909 6.318 -8.522 9 1HG2 VAL 1 1HG2 VAL 1 -7.562 6.926 -5.818 10 2HG2 VAL 1 2HG2 VAL 1 -7.657 7.684 -7.408 11 3HG2 VAL 1 3HG2 VAL 1 -6.132 7.683 -6.521 12 H SER 2 H SER 2 -7.529 2.761 -6.325 13 HA SER 2 HA SER 2 -9.643 3.025 -4.429 14 1HB SER 2 2HB SER 2 -7.305 1.154 -4.115 15 2HB SER 2 1HB SER 2 -8.979 0.921 -3.610 16 HG SER 2 HG SER 2 -9.459 0.979 -5.945 17 H CYS 3 H CYS 3 -9.648 4.177 -2.624 18 HA CYS 3 HA CYS 3 -8.966 5.383 -0.821 19 1HB CYS 3 2HB CYS 3 -6.377 3.878 -0.730 20 2HB CYS 3 1HB CYS 3 -7.401 4.411 0.596 21 H THR 4 H THR 4 -7.232 6.878 0.000 22 HA THR 4 HA THR 4 -5.543 7.869 -2.197 23 HB THR 4 HB THR 4 -6.071 10.186 -1.462 24 HG1 THR 4 1HG THR 4 -6.823 9.438 0.673 25 1HG2 THR 4 1HG2 THR 4 -7.690 10.302 -2.962 26 2HG2 THR 4 2HG2 THR 4 -8.789 9.375 -1.941 27 3HG2 THR 4 3HG2 THR 4 -7.673 8.540 -3.022 28 H GLY 5 H GLY 5 -4.760 6.177 -0.048 29 1HA GLY 5 2HA GLY 5 -2.976 5.993 1.389 30 2HA GLY 5 1HA GLY 5 -2.494 7.607 0.887 31 H SER 6 H SER 6 -5.606 6.852 2.315 32 HA SER 6 HA SER 6 -5.466 8.897 4.214 33 1HB SER 6 2HB SER 6 -7.193 6.711 5.060 34 2HB SER 6 1HB SER 6 -7.617 8.352 4.575 35 HG SER 6 HG SER 6 -8.075 7.658 2.638 36 H LYS 7 H LYS 7 -5.709 8.507 6.619 37 HA LYS 7 HA LYS 7 -4.521 8.120 8.523 38 1HB LYS 7 2HB LYS 7 -4.577 5.796 9.274 39 2HB LYS 7 1HB LYS 7 -6.102 6.265 8.541 40 1HG LYS 7 2HG LYS 7 -4.160 4.992 6.733 41 2HG LYS 7 1HG LYS 7 -4.814 3.970 8.010 42 1HD LYS 7 2HD LYS 7 -6.855 3.899 7.078 43 2HD LYS 7 1HD LYS 7 -6.822 5.610 6.649 44 1HE LYS 7 2HE LYS 7 -5.964 5.215 4.585 45 2HE LYS 7 1HE LYS 7 -5.030 3.819 5.123 46 1HZ LYS 7 1HZ LYS 7 -7.391 2.776 5.374 47 2HZ LYS 7 2HZ LYS 7 -6.634 2.822 3.862 48 3HZ LYS 7 3HZ LYS 7 -7.825 3.960 4.245 49 H ASP 8 H ASP 8 -2.905 8.545 6.184 50 HA ASP 8 HA ASP 8 -0.777 8.383 5.415 51 1HB ASP 8 2HB ASP 8 0.962 8.413 7.093 52 2HB ASP 8 1HB ASP 8 -0.384 9.421 7.609 53 H CYS 9 H CYS 9 -2.007 6.252 4.740 54 HA CYS 9 HA CYS 9 -0.543 3.884 5.591 55 1HB CYS 9 2HB CYS 9 -3.104 4.103 5.091 56 2HB CYS 9 1HB CYS 9 -2.575 3.780 3.454 57 H TYR 10 H TYR 10 -1.572 5.023 2.407 58 HA TYR 10 HA TYR 10 0.262 3.610 0.908 59 1HB TYR 10 2HB TYR 10 -1.141 6.221 0.397 60 2HB TYR 10 1HB TYR 10 -0.060 5.512 -0.795 61 HD1 TYR 10 1HD TYR 10 -1.871 3.116 1.192 62 HD2 TYR 10 2HD TYR 10 -2.103 5.564 -2.283 63 HE1 TYR 10 1HE TYR 10 -3.714 1.730 0.345 64 HE2 TYR 10 2HE TYR 10 -3.948 4.184 -3.138 65 HH TYR 10 HH TYR 10 -5.712 2.661 -2.168 66 H ALA 11 H ALA 11 0.825 6.381 2.883 67 HA ALA 11 HA ALA 11 3.133 7.335 1.521 68 1HB ALA 11 1HB ALA 11 1.829 7.883 4.123 69 2HB ALA 11 2HB ALA 11 2.346 8.995 2.854 70 3HB ALA 11 3HB ALA 11 3.533 8.314 3.967 71 HA PRO 12 HA PRO 12 5.737 5.155 5.040 72 1HB PRO 12 2HB PRO 12 4.277 3.064 6.195 73 2HB PRO 12 1HB PRO 12 4.658 4.608 6.962 74 1HG PRO 12 2HG PRO 12 2.161 3.738 5.584 75 2HG PRO 12 1HG PRO 12 2.358 4.770 7.013 76 1HD PRO 12 2HD PRO 12 1.762 5.812 4.620 77 2HD PRO 12 1HD PRO 12 2.862 6.648 5.738 78 H CYS 13 H CYS 13 3.338 3.649 3.031 79 HA CYS 13 HA CYS 13 4.880 1.263 2.554 80 1HB CYS 13 2HB CYS 13 2.247 1.816 2.431 81 2HB CYS 13 1HB CYS 13 2.686 1.922 0.741 82 H ARG 14 H ARG 14 3.751 3.981 0.567 83 HA ARG 14 HA ARG 14 5.042 3.341 -1.758 84 1HB ARG 14 2HB ARG 14 3.670 5.170 -2.044 85 2HB ARG 14 1HB ARG 14 4.139 5.892 -0.515 86 1HG ARG 14 2HG ARG 14 6.264 5.838 -2.539 87 2HG ARG 14 1HG ARG 14 4.859 6.819 -2.956 88 1HD ARG 14 2HD ARG 14 5.715 8.434 -1.692 89 2HD ARG 14 1HD ARG 14 5.387 7.421 -0.287 90 HE ARG 14 HE ARG 14 7.634 7.188 -0.052 91 1HH1 ARG 14 1HH1 ARG 14 6.975 7.851 -3.414 92 2HH1 ARG 14 2HH1 ARG 14 8.645 7.865 -3.868 93 1HH2 ARG 14 1HH2 ARG 14 9.832 7.208 -0.646 94 2HH2 ARG 14 2HH2 ARG 14 10.268 7.500 -2.297 95 H LYS 15 H LYS 15 6.344 4.916 1.098 96 HA LYS 15 HA LYS 15 8.850 5.627 0.083 97 1HB LYS 15 2HB LYS 15 7.605 5.633 2.592 98 2HB LYS 15 1HB LYS 15 9.017 4.608 2.797 99 1HG LYS 15 2HG LYS 15 10.471 6.320 2.548 100 2HG LYS 15 1HG LYS 15 9.443 7.170 1.394 101 1HD LYS 15 2HD LYS 15 9.109 8.572 3.132 102 2HD LYS 15 1HD LYS 15 7.925 7.357 3.615 103 1HE LYS 15 2HE LYS 15 10.799 7.311 4.510 104 2HE LYS 15 1HE LYS 15 9.518 8.115 5.417 105 1HZ LYS 15 1HZ LYS 15 10.055 5.786 6.123 106 2HZ LYS 15 2HZ LYS 15 9.395 5.254 4.659 107 3HZ LYS 15 3HZ LYS 15 8.423 6.073 5.775 108 H GLN 16 H GLN 16 7.658 2.615 1.520 109 HA GLN 16 HA GLN 16 10.131 1.222 1.248 110 1HB GLN 16 2HB GLN 16 7.308 0.439 1.873 111 2HB GLN 16 1HB GLN 16 8.498 -0.804 1.514 112 1HG GLN 16 2HG GLN 16 9.829 0.709 3.340 113 2HG GLN 16 1HG GLN 16 8.163 0.854 3.899 114 1HE2 GLN 16 1HE2 GLN 16 10.839 -1.284 3.375 115 2HE2 GLN 16 2HE2 GLN 16 10.203 -2.632 4.249 116 H THR 17 H THR 17 7.017 0.675 -0.408 117 HA THR 17 HA THR 17 8.190 -0.884 -2.459 118 HB THR 17 HB THR 17 5.640 0.057 -3.260 119 HG1 THR 17 1HG THR 17 4.622 0.366 -1.476 120 1HG2 THR 17 1HG2 THR 17 6.816 -2.311 -3.265 121 2HG2 THR 17 2HG2 THR 17 5.062 -2.132 -3.301 122 3HG2 THR 17 3HG2 THR 17 5.880 -2.491 -1.781 123 H GLY 18 H GLY 18 6.543 2.237 -2.649 124 1HA GLY 18 2HA GLY 18 7.980 3.932 -3.892 125 2HA GLY 18 1HA GLY 18 7.850 2.751 -5.165 126 H CYS 19 H CYS 19 6.291 3.047 -6.556 127 HA CYS 19 HA CYS 19 4.633 4.972 -6.988 128 1HB CYS 19 2HB CYS 19 2.884 3.231 -7.717 129 2HB CYS 19 1HB CYS 19 4.386 3.479 -8.567 130 HA PRO 20 HA PRO 20 1.771 5.514 -3.672 131 1HB PRO 20 2HB PRO 20 -0.059 7.086 -4.856 132 2HB PRO 20 1HB PRO 20 1.575 7.651 -4.489 133 1HG PRO 20 2HG PRO 20 0.447 6.673 -7.086 134 2HG PRO 20 1HG PRO 20 1.489 8.074 -6.777 135 1HD PRO 20 2HD PRO 20 2.425 5.690 -7.709 136 2HD PRO 20 1HD PRO 20 3.397 6.797 -6.721 137 H TYR 21 H TYR 21 1.086 3.376 -6.102 138 HA TYR 21 HA TYR 21 -1.716 3.175 -5.919 139 1HB TYR 21 2HB TYR 21 -0.111 0.767 -6.556 140 2HB TYR 21 1HB TYR 21 -1.500 1.450 -7.354 141 HD1 TYR 21 1HD TYR 21 -0.508 4.209 -7.908 142 HD2 TYR 21 2HD TYR 21 1.358 0.411 -8.352 143 HE1 TYR 21 1HE TYR 21 0.916 5.123 -9.692 144 HE2 TYR 21 2HE TYR 21 2.790 1.315 -10.134 145 HH TYR 21 HH TYR 21 3.638 3.470 -10.900 146 H GLY 22 H GLY 22 -2.820 1.203 -5.078 147 1HA GLY 22 2HA GLY 22 -1.614 -0.304 -2.984 148 2HA GLY 22 1HA GLY 22 -2.608 0.965 -2.336 149 H LYS 23 H LYS 23 -2.953 -1.943 -2.108 150 HA LYS 23 HA LYS 23 -5.356 -2.405 -3.698 151 1HB LYS 23 2HB LYS 23 -3.380 -4.118 -3.211 152 2HB LYS 23 1HB LYS 23 -4.337 -4.437 -1.771 153 1HG LYS 23 2HG LYS 23 -4.985 -6.021 -3.401 154 2HG LYS 23 1HG LYS 23 -6.298 -4.847 -3.275 155 1HD LYS 23 2HD LYS 23 -5.236 -3.657 -5.246 156 2HD LYS 23 1HD LYS 23 -4.219 -5.087 -5.438 157 1HE LYS 23 2HE LYS 23 -6.537 -6.333 -5.352 158 2HE LYS 23 1HE LYS 23 -7.149 -4.761 -5.867 159 1HZ LYS 23 1HZ LYS 23 -6.203 -4.955 -7.890 160 2HZ LYS 23 2HZ LYS 23 -6.311 -6.610 -7.562 161 3HZ LYS 23 3HZ LYS 23 -4.850 -5.795 -7.320 162 H CYS 24 H CYS 24 -4.780 -0.739 -1.093 163 HA CYS 24 HA CYS 24 -6.162 -1.651 1.073 164 1HB CYS 24 2HB CYS 24 -5.239 0.354 1.569 165 2HB CYS 24 1HB CYS 24 -5.474 0.981 -0.049 166 H MET 25 H MET 25 -8.178 -2.191 1.507 167 HA MET 25 HA MET 25 -10.281 -1.509 -0.434 168 1HB MET 25 2HB MET 25 -9.612 -3.965 0.352 169 2HB MET 25 1HB MET 25 -10.695 -3.572 1.680 170 1HG MET 25 2HG MET 25 -12.139 -4.565 0.218 171 2HG MET 25 1HG MET 25 -12.323 -2.870 -0.231 172 1HE MET 25 1HE MET 25 -13.554 -4.069 -1.944 173 2HE MET 25 2HE MET 25 -12.905 -5.278 -3.051 174 3HE MET 25 3HE MET 25 -12.869 -3.571 -3.492 175 H ASN 26 H ASN 26 -12.228 -0.673 0.252 176 HA ASN 26 HA ASN 26 -12.258 1.264 2.169 177 1HB ASN 26 2HB ASN 26 -14.829 -0.182 1.939 178 2HB ASN 26 1HB ASN 26 -14.486 1.532 1.775 179 1HD2 ASN 26 1HD2 ASN 26 -15.181 -1.330 0.160 180 2HD2 ASN 26 2HD2 ASN 26 -14.890 -0.787 -1.454 181 H ARG 27 H ARG 27 -12.006 1.272 4.264 182 HA ARG 27 HA ARG 27 -12.246 0.773 6.478 183 1HB ARG 27 2HB ARG 27 -14.502 -0.374 5.418 184 2HB ARG 27 1HB ARG 27 -13.717 -1.749 6.181 185 1HG ARG 27 2HG ARG 27 -14.221 -1.040 8.232 186 2HG ARG 27 1HG ARG 27 -13.755 0.622 7.870 187 1HD ARG 27 2HD ARG 27 -15.864 1.167 7.054 188 2HD ARG 27 1HD ARG 27 -16.301 -0.519 6.786 189 HE ARG 27 HE ARG 27 -16.687 0.983 9.168 190 1HH1 ARG 27 1HH1 ARG 27 -15.956 -2.224 8.000 191 2HH1 ARG 27 2HH1 ARG 27 -16.612 -3.016 9.393 192 1HH2 ARG 27 1HH2 ARG 27 -17.550 -0.057 11.001 193 2HH2 ARG 27 2HH2 ARG 27 -17.518 -1.786 11.096 194 H LYS 28 H LYS 28 -10.159 -0.231 4.722 195 HA LYS 28 HA LYS 28 -8.664 -1.734 6.488 196 1HB LYS 28 2HB LYS 28 -10.549 -3.356 4.951 197 2HB LYS 28 1HB LYS 28 -8.885 -3.895 4.781 198 1HG LYS 28 2HG LYS 28 -9.763 -3.309 7.529 199 2HG LYS 28 1HG LYS 28 -10.529 -4.693 6.748 200 1HD LYS 28 2HD LYS 28 -8.321 -5.626 6.243 201 2HD LYS 28 1HD LYS 28 -7.559 -4.242 7.029 202 1HE LYS 28 2HE LYS 28 -9.235 -6.402 8.282 203 2HE LYS 28 1HE LYS 28 -7.549 -6.006 8.611 204 1HZ LYS 28 1HZ LYS 28 -8.563 -3.726 9.288 205 2HZ LYS 28 2HZ LYS 28 -8.604 -5.023 10.371 206 3HZ LYS 28 3HZ LYS 28 -9.986 -4.620 9.483 207 H CYS 29 H CYS 29 -6.803 -0.855 5.841 208 HA CYS 29 HA CYS 29 -6.173 -0.235 3.155 209 1HB CYS 29 2HB CYS 29 -5.292 0.803 5.340 210 2HB CYS 29 1HB CYS 29 -4.134 -0.509 5.294 211 H LYS 30 H LYS 30 -4.184 -1.027 2.051 212 HA LYS 30 HA LYS 30 -2.836 -3.346 2.602 213 1HB LYS 30 2HB LYS 30 -5.565 -3.863 1.688 214 2HB LYS 30 1HB LYS 30 -4.352 -4.662 0.698 215 1HG LYS 30 2HG LYS 30 -3.744 -6.084 2.343 216 2HG LYS 30 1HG LYS 30 -4.020 -4.898 3.621 217 1HD LYS 30 2HD LYS 30 -5.820 -6.175 4.076 218 2HD LYS 30 1HD LYS 30 -6.549 -5.284 2.738 219 1HE LYS 30 2HE LYS 30 -5.067 -7.883 2.398 220 2HE LYS 30 1HE LYS 30 -6.809 -7.783 2.642 221 1HZ LYS 30 1HZ LYS 30 -5.719 -6.120 0.522 222 2HZ LYS 30 2HZ LYS 30 -7.147 -7.026 0.563 223 3HZ LYS 30 3HZ LYS 30 -5.671 -7.789 0.248 224 H CYS 31 H CYS 31 -1.364 -1.982 1.615 225 HA CYS 31 HA CYS 31 -1.213 -0.753 -0.781 226 1HB CYS 31 2HB CYS 31 0.988 -2.602 0.132 227 2HB CYS 31 1HB CYS 31 1.143 -1.116 -0.799 228 H ASN 32 H ASN 32 -0.201 -1.319 -2.785 229 HA ASN 32 HA ASN 32 -1.296 -3.811 -3.857 230 1HB ASN 32 2HB ASN 32 -1.735 -1.340 -4.616 231 2HB ASN 32 1HB ASN 32 -0.267 -1.601 -5.512 232 1HD2 ASN 32 1HD2 ASN 32 -0.409 -2.558 -7.432 233 2HD2 ASN 32 2HD2 ASN 32 -1.794 -3.396 -8.035 234 H ARG 33 H ARG 33 -0.033 -4.372 -5.979 235 HA ARG 33 HA ARG 33 2.585 -5.201 -5.154 236 1HB ARG 33 2HB ARG 33 0.826 -6.264 -6.898 237 2HB ARG 33 1HB ARG 33 1.821 -5.356 -8.028 238 1HG ARG 33 2HG ARG 33 2.692 -7.554 -7.937 239 2HG ARG 33 1HG ARG 33 3.818 -6.517 -7.060 240 1HD ARG 33 2HD ARG 33 2.531 -7.204 -4.961 241 2HD ARG 33 1HD ARG 33 1.825 -8.475 -5.959 242 HE ARG 33 HE ARG 33 3.818 -9.601 -5.878 243 1HH1 ARG 33 1HH1 ARG 33 4.325 -6.323 -4.796 244 2HH1 ARG 33 2HH1 ARG 33 5.947 -6.617 -4.264 245 1HH2 ARG 33 1HH2 ARG 33 5.950 -9.990 -5.179 246 2HH2 ARG 33 2HH2 ARG 33 6.869 -8.699 -4.482 247 H CYS 34 H CYS 34 3.317 -3.110 -4.677 248 HA CYS 34 HA CYS 34 4.128 -1.505 -6.993 249 1HB CYS 34 2HB CYS 34 2.725 -0.371 -5.344 250 2HB CYS 34 1HB CYS 34 3.910 -0.743 -4.110 Start of MODEL 8 1 1H VAL 1 1HT VAL 1 -7.067 6.565 -9.213 2 2H VAL 1 2HT VAL 1 -6.179 5.210 -9.780 3 3H VAL 1 3HT VAL 1 -5.480 6.778 -9.821 4 HA VAL 1 HA VAL 1 -4.817 5.157 -8.005 5 HB VAL 1 HB VAL 1 -4.725 7.076 -6.354 6 1HG1 VAL 1 1HG1 VAL 1 -3.616 7.046 -9.097 7 2HG1 VAL 1 2HG1 VAL 1 -2.792 7.012 -7.538 8 3HG1 VAL 1 3HG1 VAL 1 -3.419 8.534 -8.170 9 1HG2 VAL 1 1HG2 VAL 1 -5.768 9.047 -6.711 10 2HG2 VAL 1 2HG2 VAL 1 -6.870 8.047 -7.657 11 3HG2 VAL 1 3HG2 VAL 1 -5.586 8.948 -8.463 12 H SER 2 H SER 2 -5.407 4.184 -6.122 13 HA SER 2 HA SER 2 -8.264 4.237 -5.487 14 1HB SER 2 2HB SER 2 -6.052 2.276 -4.902 15 2HB SER 2 1HB SER 2 -7.603 2.193 -4.066 16 HG SER 2 HG SER 2 -8.570 1.589 -5.877 17 H CYS 3 H CYS 3 -9.061 4.888 -3.555 18 HA CYS 3 HA CYS 3 -9.167 5.923 -1.534 19 1HB CYS 3 2HB CYS 3 -6.397 4.962 -0.889 20 2HB CYS 3 1HB CYS 3 -7.779 5.153 0.183 21 H THR 4 H THR 4 -8.053 7.595 -0.121 22 HA THR 4 HA THR 4 -5.817 9.033 -1.045 23 HB THR 4 HB THR 4 -7.480 11.102 -1.609 24 HG1 THR 4 1HG THR 4 -9.257 9.520 -1.530 25 1HG2 THR 4 1HG2 THR 4 -6.198 11.070 -3.402 26 2HG2 THR 4 2HG2 THR 4 -7.209 9.788 -4.071 27 3HG2 THR 4 3HG2 THR 4 -5.781 9.380 -3.119 28 H GLY 5 H GLY 5 -6.892 8.089 1.419 29 1HA GLY 5 2HA GLY 5 -6.881 10.622 2.892 30 2HA GLY 5 1HA GLY 5 -8.214 9.513 3.178 31 H SER 6 H SER 6 -7.965 7.949 4.654 32 HA SER 6 HA SER 6 -7.034 6.662 6.280 33 1HB SER 6 2HB SER 6 -4.365 6.839 4.912 34 2HB SER 6 1HB SER 6 -5.093 5.472 5.757 35 HG SER 6 HG SER 6 -6.608 5.350 4.013 36 H LYS 7 H LYS 7 -4.401 6.669 7.340 37 HA LYS 7 HA LYS 7 -4.012 9.422 8.258 38 1HB LYS 7 2HB LYS 7 -3.757 8.579 10.590 39 2HB LYS 7 1HB LYS 7 -5.392 8.427 9.962 40 1HG LYS 7 2HG LYS 7 -5.351 6.302 10.576 41 2HG LYS 7 1HG LYS 7 -4.149 6.020 9.315 42 1HD LYS 7 2HD LYS 7 -2.610 7.047 11.312 43 2HD LYS 7 1HD LYS 7 -3.834 6.167 12.230 44 1HE LYS 7 2HE LYS 7 -3.241 4.125 11.307 45 2HE LYS 7 1HE LYS 7 -2.478 4.868 9.903 46 1HZ LYS 7 1HZ LYS 7 -1.352 5.313 12.586 47 2HZ LYS 7 2HZ LYS 7 -0.579 5.353 11.081 48 3HZ LYS 7 3HZ LYS 7 -1.019 3.870 11.766 49 H ASP 8 H ASP 8 -2.425 8.450 6.408 50 HA ASP 8 HA ASP 8 -0.160 8.441 5.991 51 1HB ASP 8 2HB ASP 8 -0.083 9.051 8.641 52 2HB ASP 8 1HB ASP 8 0.700 7.474 8.646 53 H CYS 9 H CYS 9 -1.763 6.419 5.314 54 HA CYS 9 HA CYS 9 -0.530 3.922 6.157 55 1HB CYS 9 2HB CYS 9 -3.082 4.444 5.778 56 2HB CYS 9 1HB CYS 9 -2.671 4.001 4.135 57 H TYR 10 H TYR 10 -1.563 5.269 3.061 58 HA TYR 10 HA TYR 10 -0.045 3.651 1.410 59 1HB TYR 10 2HB TYR 10 -1.346 6.299 1.157 60 2HB TYR 10 1HB TYR 10 -0.104 5.938 -0.035 61 HD1 TYR 10 1HD TYR 10 -2.087 6.235 -1.616 62 HD2 TYR 10 2HD TYR 10 -1.790 3.001 1.135 63 HE1 TYR 10 1HE TYR 10 -3.727 4.966 -2.936 64 HE2 TYR 10 2HE TYR 10 -3.422 1.725 -0.181 65 HH TYR 10 HH TYR 10 -4.261 2.438 -3.270 66 H ALA 11 H ALA 11 0.990 6.282 3.402 67 HA ALA 11 HA ALA 11 3.343 6.933 1.949 68 1HB ALA 11 1HB ALA 11 2.785 8.654 3.327 69 2HB ALA 11 2HB ALA 11 3.987 7.855 4.340 70 3HB ALA 11 3HB ALA 11 2.269 7.589 4.635 71 HA PRO 12 HA PRO 12 5.765 4.466 5.462 72 1HB PRO 12 2HB PRO 12 4.061 2.398 6.364 73 2HB PRO 12 1HB PRO 12 4.635 3.783 7.294 74 1HG PRO 12 2HG PRO 12 2.051 3.389 5.882 75 2HG PRO 12 1HG PRO 12 2.398 4.293 7.362 76 1HD PRO 12 2HD PRO 12 1.923 5.556 5.056 77 2HD PRO 12 1HD PRO 12 3.144 6.162 6.196 78 H CYS 13 H CYS 13 3.346 3.149 3.306 79 HA CYS 13 HA CYS 13 5.034 0.856 2.696 80 1HB CYS 13 2HB CYS 13 2.321 1.158 2.833 81 2HB CYS 13 1HB CYS 13 2.635 1.112 1.110 82 H ARG 14 H ARG 14 3.474 3.541 0.964 83 HA ARG 14 HA ARG 14 4.347 3.040 -1.566 84 1HB ARG 14 2HB ARG 14 2.890 4.912 -1.124 85 2HB ARG 14 1HB ARG 14 4.140 5.724 -0.192 86 1HG ARG 14 2HG ARG 14 5.498 5.735 -2.353 87 2HG ARG 14 1HG ARG 14 3.987 5.306 -3.158 88 1HD ARG 14 2HD ARG 14 4.473 7.750 -3.132 89 2HD ARG 14 1HD ARG 14 2.933 7.311 -2.396 90 HE ARG 14 HE ARG 14 3.699 8.135 -0.410 91 1HH1 ARG 14 1HH1 ARG 14 6.432 7.573 -2.505 92 2HH1 ARG 14 2HH1 ARG 14 7.571 8.307 -1.425 93 1HH2 ARG 14 1HH2 ARG 14 5.193 9.100 1.012 94 2HH2 ARG 14 2HH2 ARG 14 6.867 9.174 0.571 95 H LYS 15 H LYS 15 6.222 4.158 1.132 96 HA LYS 15 HA LYS 15 8.499 5.033 -0.288 97 1HB LYS 15 2HB LYS 15 7.801 4.445 2.467 98 2HB LYS 15 1HB LYS 15 9.424 3.879 2.096 99 1HG LYS 15 2HG LYS 15 10.246 5.972 1.836 100 2HG LYS 15 1HG LYS 15 8.726 6.611 1.204 101 1HD LYS 15 2HD LYS 15 8.765 7.625 3.256 102 2HD LYS 15 1HD LYS 15 7.901 6.142 3.663 103 1HE LYS 15 2HE LYS 15 10.838 5.992 3.827 104 2HE LYS 15 1HE LYS 15 10.064 7.056 5.002 105 1HZ LYS 15 1HZ LYS 15 8.509 4.910 5.188 106 2HZ LYS 15 2HZ LYS 15 9.882 5.144 6.149 107 3HZ LYS 15 3HZ LYS 15 9.970 4.162 4.775 108 H GLN 16 H GLN 16 7.680 1.911 1.189 109 HA GLN 16 HA GLN 16 9.953 0.549 0.145 110 1HB GLN 16 2HB GLN 16 7.398 -0.333 1.454 111 2HB GLN 16 1HB GLN 16 8.521 -1.507 0.784 112 1HG GLN 16 2HG GLN 16 10.083 -1.148 2.392 113 2HG GLN 16 1HG GLN 16 9.621 0.539 2.619 114 1HE2 GLN 16 1HE2 GLN 16 8.667 0.971 4.464 115 2HE2 GLN 16 2HE2 GLN 16 7.750 -0.132 5.427 116 H THR 17 H THR 17 6.478 0.327 -0.683 117 HA THR 17 HA THR 17 6.931 -1.295 -2.965 118 HB THR 17 HB THR 17 4.819 -1.281 -1.679 119 HG1 THR 17 1HG THR 17 3.989 -2.004 -3.442 120 1HG2 THR 17 1HG2 THR 17 4.310 0.916 -1.147 121 2HG2 THR 17 2HG2 THR 17 3.151 0.515 -2.414 122 3HG2 THR 17 3HG2 THR 17 4.577 1.480 -2.797 123 H GLY 18 H GLY 18 7.480 1.990 -2.523 124 1HA GLY 18 2HA GLY 18 8.099 3.604 -4.048 125 2HA GLY 18 1HA GLY 18 8.027 2.369 -5.278 126 H CYS 19 H CYS 19 6.497 2.460 -6.689 127 HA CYS 19 HA CYS 19 5.005 4.338 -7.551 128 1HB CYS 19 2HB CYS 19 3.184 2.758 -8.160 129 2HB CYS 19 1HB CYS 19 4.817 2.351 -8.646 130 HA PRO 20 HA PRO 20 2.261 5.946 -4.449 131 1HB PRO 20 2HB PRO 20 0.637 7.001 -6.665 132 2HB PRO 20 1HB PRO 20 1.503 7.866 -5.393 133 1HG PRO 20 2HG PRO 20 2.353 7.882 -7.939 134 2HG PRO 20 1HG PRO 20 3.485 7.891 -6.574 135 1HD PRO 20 2HD PRO 20 2.652 5.614 -8.333 136 2HD PRO 20 1HD PRO 20 4.264 6.028 -7.710 137 H TYR 21 H TYR 21 1.312 3.602 -6.739 138 HA TYR 21 HA TYR 21 -1.456 3.560 -6.261 139 1HB TYR 21 2HB TYR 21 -0.074 1.044 -6.984 140 2HB TYR 21 1HB TYR 21 -1.475 1.811 -7.682 141 HD1 TYR 21 1HD TYR 21 -0.444 4.447 -8.460 142 HD2 TYR 21 2HD TYR 21 1.320 0.588 -8.794 143 HE1 TYR 21 1HE TYR 21 0.901 5.233 -10.364 144 HE2 TYR 21 2HE TYR 21 2.671 1.365 -10.696 145 HH TYR 21 HH TYR 21 3.103 4.575 -11.459 146 H GLY 22 H GLY 22 -2.582 1.684 -5.263 147 1HA GLY 22 2HA GLY 22 -1.205 0.258 -3.165 148 2HA GLY 22 1HA GLY 22 -2.285 1.502 -2.578 149 H LYS 23 H LYS 23 -2.550 -1.311 -2.064 150 HA LYS 23 HA LYS 23 -4.827 -2.092 -3.709 151 1HB LYS 23 2HB LYS 23 -2.759 -3.571 -2.701 152 2HB LYS 23 1HB LYS 23 -4.021 -3.881 -1.518 153 1HG LYS 23 2HG LYS 23 -5.429 -4.862 -3.099 154 2HG LYS 23 1HG LYS 23 -4.536 -4.170 -4.455 155 1HD LYS 23 2HD LYS 23 -3.814 -6.362 -4.488 156 2HD LYS 23 1HD LYS 23 -2.560 -5.587 -3.517 157 1HE LYS 23 2HE LYS 23 -4.076 -6.236 -1.512 158 2HE LYS 23 1HE LYS 23 -4.798 -7.374 -2.647 159 1HZ LYS 23 1HZ LYS 23 -1.941 -7.248 -1.847 160 2HZ LYS 23 2HZ LYS 23 -2.556 -8.277 -3.040 161 3HZ LYS 23 3HZ LYS 23 -3.055 -8.454 -1.434 162 H CYS 24 H CYS 24 -4.481 -0.104 -1.262 163 HA CYS 24 HA CYS 24 -5.978 -0.840 0.891 164 1HB CYS 24 2HB CYS 24 -5.178 1.251 1.236 165 2HB CYS 24 1HB CYS 24 -5.335 1.697 -0.452 166 H MET 25 H MET 25 -7.935 -1.598 1.157 167 HA MET 25 HA MET 25 -9.967 -1.118 -0.908 168 1HB MET 25 2HB MET 25 -9.227 -3.479 0.048 169 2HB MET 25 1HB MET 25 -10.367 -3.065 1.321 170 1HG MET 25 2HG MET 25 -11.894 -2.520 -0.793 171 2HG MET 25 1HG MET 25 -10.847 -3.742 -1.512 172 1HE MET 25 1HE MET 25 -13.946 -4.229 -1.398 173 2HE MET 25 2HE MET 25 -14.093 -3.188 0.020 174 3HE MET 25 3HE MET 25 -14.598 -4.876 0.108 175 H ASN 26 H ASN 26 -11.981 -0.324 -0.393 176 HA ASN 26 HA ASN 26 -12.204 1.709 1.415 177 1HB ASN 26 2HB ASN 26 -14.681 0.120 1.010 178 2HB ASN 26 1HB ASN 26 -14.434 1.855 0.900 179 1HD2 ASN 26 1HD2 ASN 26 -12.831 2.422 -0.958 180 2HD2 ASN 26 2HD2 ASN 26 -13.200 1.683 -2.475 181 H ARG 27 H ARG 27 -12.197 1.853 3.522 182 HA ARG 27 HA ARG 27 -12.598 1.442 5.729 183 1HB ARG 27 2HB ARG 27 -14.673 0.099 4.530 184 2HB ARG 27 1HB ARG 27 -13.883 -1.179 5.444 185 1HG ARG 27 2HG ARG 27 -14.098 1.126 7.103 186 2HG ARG 27 1HG ARG 27 -15.670 0.799 6.372 187 1HD ARG 27 2HD ARG 27 -15.142 -1.669 7.070 188 2HD ARG 27 1HD ARG 27 -14.031 -0.898 8.201 189 HE ARG 27 HE ARG 27 -16.466 0.389 8.480 190 1HH1 ARG 27 1HH1 ARG 27 -15.203 -2.836 8.915 191 2HH1 ARG 27 2HH1 ARG 27 -16.324 -3.240 10.171 192 1HH2 ARG 27 1HH2 ARG 27 -17.942 -0.142 10.131 193 2HH2 ARG 27 2HH2 ARG 27 -17.880 -1.711 10.861 194 H LYS 28 H LYS 28 -10.317 0.476 4.197 195 HA LYS 28 HA LYS 28 -8.847 -0.786 6.137 196 1HB LYS 28 2HB LYS 28 -10.579 -2.660 4.712 197 2HB LYS 28 1HB LYS 28 -8.883 -3.118 4.647 198 1HG LYS 28 2HG LYS 28 -9.949 -2.322 7.287 199 2HG LYS 28 1HG LYS 28 -10.510 -3.856 6.620 200 1HD LYS 28 2HD LYS 28 -7.871 -4.078 6.143 201 2HD LYS 28 1HD LYS 28 -7.835 -3.071 7.592 202 1HE LYS 28 2HE LYS 28 -9.128 -4.696 8.811 203 2HE LYS 28 1HE LYS 28 -9.348 -5.667 7.355 204 1HZ LYS 28 1HZ LYS 28 -6.731 -5.111 8.646 205 2HZ LYS 28 2HZ LYS 28 -6.995 -6.112 7.308 206 3HZ LYS 28 3HZ LYS 28 -7.613 -6.545 8.822 207 H CYS 29 H CYS 29 -7.112 0.330 5.398 208 HA CYS 29 HA CYS 29 -6.396 0.508 2.674 209 1HB CYS 29 2HB CYS 29 -5.512 2.287 3.728 210 2HB CYS 29 1HB CYS 29 -5.338 1.435 5.244 211 H LYS 30 H LYS 30 -4.252 -0.168 1.847 212 HA LYS 30 HA LYS 30 -2.645 -2.130 2.881 213 1HB LYS 30 2HB LYS 30 -3.574 -4.102 1.414 214 2HB LYS 30 1HB LYS 30 -4.198 -3.818 3.031 215 1HG LYS 30 2HG LYS 30 -6.192 -2.899 2.225 216 2HG LYS 30 1HG LYS 30 -5.524 -2.654 0.612 217 1HD LYS 30 2HD LYS 30 -6.640 -4.550 0.132 218 2HD LYS 30 1HD LYS 30 -5.238 -5.330 0.868 219 1HE LYS 30 2HE LYS 30 -6.692 -4.865 3.070 220 2HE LYS 30 1HE LYS 30 -7.995 -5.008 1.891 221 1HZ LYS 30 1HZ LYS 30 -5.901 -7.048 1.858 222 2HZ LYS 30 2HZ LYS 30 -7.553 -7.191 1.529 223 3HZ LYS 30 3HZ LYS 30 -7.016 -7.094 3.129 224 H CYS 31 H CYS 31 -1.221 -0.863 1.770 225 HA CYS 31 HA CYS 31 -0.981 0.070 -0.726 226 1HB CYS 31 2HB CYS 31 1.492 -0.820 -0.583 227 2HB CYS 31 1HB CYS 31 0.915 0.431 0.513 228 H ASN 32 H ASN 32 0.234 -0.638 -2.570 229 HA ASN 32 HA ASN 32 -0.857 -3.122 -3.587 230 1HB ASN 32 2HB ASN 32 -0.749 -0.735 -4.663 231 2HB ASN 32 1HB ASN 32 0.827 -1.284 -5.171 232 1HD2 ASN 32 1HD2 ASN 32 0.905 -2.240 -7.074 233 2HD2 ASN 32 2HD2 ASN 32 -0.405 -3.049 -7.859 234 H ARG 33 H ARG 33 0.673 -4.118 -5.328 235 HA ARG 33 HA ARG 33 3.241 -4.709 -4.008 236 1HB ARG 33 2HB ARG 33 1.297 -6.509 -4.451 237 2HB ARG 33 1HB ARG 33 2.117 -6.606 -6.003 238 1HG ARG 33 2HG ARG 33 3.095 -8.277 -4.696 239 2HG ARG 33 1HG ARG 33 4.257 -6.949 -4.671 240 1HD ARG 33 2HD ARG 33 3.943 -6.539 -2.467 241 2HD ARG 33 1HD ARG 33 2.228 -6.942 -2.527 242 HE ARG 33 HE ARG 33 4.390 -8.694 -1.854 243 1HH1 ARG 33 1HH1 ARG 33 1.173 -8.560 -3.200 244 2HH1 ARG 33 2HH1 ARG 33 0.794 -10.196 -2.780 245 1HH2 ARG 33 1HH2 ARG 33 3.893 -10.847 -1.301 246 2HH2 ARG 33 2HH2 ARG 33 2.338 -11.495 -1.702 247 H CYS 34 H CYS 34 4.439 -3.151 -5.034 248 HA CYS 34 HA CYS 34 4.386 -2.774 -7.856 249 1HB CYS 34 2HB CYS 34 5.233 -1.336 -5.705 250 2HB CYS 34 1HB CYS 34 6.736 -1.799 -6.476 Start of MODEL 9 1 1H VAL 1 1HT VAL 1 -12.050 2.120 -4.946 2 2H VAL 1 2HT VAL 1 -12.348 3.467 -3.930 3 3H VAL 1 3HT VAL 1 -11.166 2.300 -3.492 4 HA VAL 1 HA VAL 1 -9.810 2.941 -5.205 5 HB VAL 1 HB VAL 1 -11.866 4.891 -5.883 6 1HG1 VAL 1 1HG1 VAL 1 -10.040 5.913 -6.785 7 2HG1 VAL 1 2HG1 VAL 1 -10.385 4.836 -8.138 8 3HG1 VAL 1 3HG1 VAL 1 -9.153 4.397 -6.954 9 1HG2 VAL 1 1HG2 VAL 1 -11.449 2.171 -6.968 10 2HG2 VAL 1 2HG2 VAL 1 -11.916 3.424 -8.118 11 3HG2 VAL 1 3HG2 VAL 1 -12.943 3.075 -6.728 12 H SER 2 H SER 2 -10.924 3.771 -2.892 13 HA SER 2 HA SER 2 -9.258 6.098 -2.254 14 1HB SER 2 2HB SER 2 -11.207 6.608 -0.519 15 2HB SER 2 1HB SER 2 -11.269 7.214 -2.173 16 HG SER 2 HG SER 2 -13.183 6.034 -1.252 17 H CYS 3 H CYS 3 -7.850 5.651 -0.703 18 HA CYS 3 HA CYS 3 -7.798 3.233 0.716 19 1HB CYS 3 2HB CYS 3 -6.405 5.833 1.367 20 2HB CYS 3 1HB CYS 3 -6.007 4.265 2.056 21 H THR 4 H THR 4 -7.408 3.411 3.213 22 HA THR 4 HA THR 4 -9.989 4.085 4.326 23 HB THR 4 HB THR 4 -9.122 1.991 5.018 24 HG1 THR 4 1HG THR 4 -8.864 2.309 7.282 25 1HG2 THR 4 1HG2 THR 4 -6.957 1.860 6.312 26 2HG2 THR 4 2HG2 THR 4 -6.581 3.451 5.651 27 3HG2 THR 4 3HG2 THR 4 -6.822 2.081 4.567 28 H GLY 5 H GLY 5 -8.908 6.432 3.599 29 1HA GLY 5 2HA GLY 5 -8.331 8.520 4.354 30 2HA GLY 5 1HA GLY 5 -8.994 7.992 5.893 31 H SER 6 H SER 6 -7.518 8.934 7.227 32 HA SER 6 HA SER 6 -5.589 9.196 8.399 33 1HB SER 6 2HB SER 6 -4.131 6.887 7.394 34 2HB SER 6 1HB SER 6 -4.703 7.229 9.026 35 HG SER 6 HG SER 6 -6.817 6.539 8.234 36 H LYS 7 H LYS 7 -3.149 9.395 8.165 37 HA LYS 7 HA LYS 7 -2.494 10.249 5.421 38 1HB LYS 7 2HB LYS 7 -0.948 11.918 6.610 39 2HB LYS 7 1HB LYS 7 -2.675 12.252 6.621 40 1HG LYS 7 2HG LYS 7 -2.812 12.090 8.846 41 2HG LYS 7 1HG LYS 7 -1.763 10.673 8.904 42 1HD LYS 7 2HD LYS 7 -0.653 13.406 8.359 43 2HD LYS 7 1HD LYS 7 -0.943 12.851 10.008 44 1HE LYS 7 2HE LYS 7 0.382 10.726 8.992 45 2HE LYS 7 1HE LYS 7 1.111 12.034 8.061 46 1HZ LYS 7 1HZ LYS 7 2.447 12.126 9.859 47 2HZ LYS 7 2HZ LYS 7 1.305 11.446 10.904 48 3HZ LYS 7 3HZ LYS 7 1.201 13.083 10.491 49 H ASP 8 H ASP 8 -1.390 8.680 8.346 50 HA ASP 8 HA ASP 8 1.228 8.160 7.152 51 1HB ASP 8 2HB ASP 8 0.624 8.838 9.685 52 2HB ASP 8 1HB ASP 8 0.563 7.084 9.835 53 H CYS 9 H CYS 9 -1.264 6.894 6.190 54 HA CYS 9 HA CYS 9 -0.956 4.122 6.985 55 1HB CYS 9 2HB CYS 9 -3.173 5.416 6.489 56 2HB CYS 9 1HB CYS 9 -2.807 4.956 4.841 57 H TYR 10 H TYR 10 -1.356 5.654 3.840 58 HA TYR 10 HA TYR 10 0.000 3.577 2.459 59 1HB TYR 10 2HB TYR 10 -1.428 6.012 1.818 60 2HB TYR 10 1HB TYR 10 0.022 5.867 0.837 61 HD1 TYR 10 1HD TYR 10 -1.519 5.752 -1.119 62 HD2 TYR 10 2HD TYR 10 -1.505 2.755 1.902 63 HE1 TYR 10 1HE TYR 10 -2.697 4.220 -2.638 64 HE2 TYR 10 2HE TYR 10 -2.675 1.218 0.391 65 HH TYR 10 HH TYR 10 -3.098 1.891 -2.958 66 H ALA 11 H ALA 11 1.129 6.152 4.314 67 HA ALA 11 HA ALA 11 3.465 6.790 2.824 68 1HB ALA 11 1HB ALA 11 2.947 8.483 4.275 69 2HB ALA 11 2HB ALA 11 4.198 7.650 5.198 70 3HB ALA 11 3HB ALA 11 2.496 7.380 5.575 71 HA PRO 12 HA PRO 12 5.822 4.103 6.252 72 1HB PRO 12 2HB PRO 12 4.035 1.985 6.885 73 2HB PRO 12 1HB PRO 12 4.638 3.237 7.973 74 1HG PRO 12 2HG PRO 12 2.069 3.092 6.497 75 2HG PRO 12 1HG PRO 12 2.430 3.846 8.055 76 1HD PRO 12 2HD PRO 12 2.033 5.328 5.869 77 2HD PRO 12 1HD PRO 12 3.265 5.781 7.066 78 H CYS 13 H CYS 13 3.438 2.996 3.944 79 HA CYS 13 HA CYS 13 5.111 0.758 3.136 80 1HB CYS 13 2HB CYS 13 2.445 0.978 3.292 81 2HB CYS 13 1HB CYS 13 2.692 1.362 1.604 82 H ARG 14 H ARG 14 3.494 3.480 1.508 83 HA ARG 14 HA ARG 14 4.705 3.181 -0.933 84 1HB ARG 14 2HB ARG 14 3.813 5.688 0.447 85 2HB ARG 14 1HB ARG 14 4.412 5.660 -1.202 86 1HG ARG 14 2HG ARG 14 2.615 4.287 -1.928 87 2HG ARG 14 1HG ARG 14 2.078 4.018 -0.270 88 1HD ARG 14 2HD ARG 14 0.603 5.633 -1.059 89 2HD ARG 14 1HD ARG 14 1.798 6.573 -0.170 90 HE ARG 14 HE ARG 14 1.373 6.540 -3.041 91 1HH1 ARG 14 1HH1 ARG 14 3.434 7.518 -0.393 92 2HH1 ARG 14 2HH1 ARG 14 4.246 8.737 -1.315 93 1HH2 ARG 14 1HH2 ARG 14 2.443 8.143 -4.248 94 2HH2 ARG 14 2HH2 ARG 14 3.684 9.092 -3.501 95 H LYS 15 H LYS 15 6.024 4.500 1.995 96 HA LYS 15 HA LYS 15 8.286 5.757 0.869 97 1HB LYS 15 2HB LYS 15 7.298 5.291 3.459 98 2HB LYS 15 1HB LYS 15 8.862 4.491 3.416 99 1HG LYS 15 2HG LYS 15 9.610 6.782 2.339 100 2HG LYS 15 1HG LYS 15 8.196 7.374 3.216 101 1HD LYS 15 2HD LYS 15 9.087 6.447 5.291 102 2HD LYS 15 1HD LYS 15 10.488 5.820 4.419 103 1HE LYS 15 2HE LYS 15 9.849 8.728 4.247 104 2HE LYS 15 1HE LYS 15 10.610 8.105 5.710 105 1HZ LYS 15 1HZ LYS 15 12.530 7.621 4.619 106 2HZ LYS 15 2HZ LYS 15 12.026 8.935 3.682 107 3HZ LYS 15 3HZ LYS 15 11.771 7.356 3.130 108 H GLN 16 H GLN 16 7.646 2.490 2.066 109 HA GLN 16 HA GLN 16 10.217 1.462 1.381 110 1HB GLN 16 2HB GLN 16 8.354 0.586 3.045 111 2HB GLN 16 1HB GLN 16 7.831 -0.313 1.627 112 1HG GLN 16 2HG GLN 16 9.240 -1.825 2.586 113 2HG GLN 16 1HG GLN 16 10.356 -0.991 1.505 114 1HE2 GLN 16 1HE2 GLN 16 9.401 -1.521 4.791 115 2HE2 GLN 16 2HE2 GLN 16 10.773 -0.773 5.530 116 H THR 17 H THR 17 7.011 0.631 0.051 117 HA THR 17 HA THR 17 8.118 -0.548 -2.280 118 HB THR 17 HB THR 17 5.985 -1.262 -1.261 119 HG1 THR 17 1HG THR 17 6.546 -1.528 -3.571 120 1HG2 THR 17 1HG2 THR 17 4.697 1.101 -2.574 121 2HG2 THR 17 2HG2 THR 17 5.129 1.090 -0.864 122 3HG2 THR 17 3HG2 THR 17 3.977 -0.090 -1.491 123 H GLY 18 H GLY 18 6.267 2.428 -1.816 124 1HA GLY 18 2HA GLY 18 6.262 4.387 -3.014 125 2HA GLY 18 1HA GLY 18 7.673 3.808 -3.859 126 H CYS 19 H CYS 19 4.447 4.444 -4.032 127 HA CYS 19 HA CYS 19 3.944 4.368 -6.573 128 1HB CYS 19 2HB CYS 19 4.203 1.767 -5.803 129 2HB CYS 19 1HB CYS 19 2.757 2.113 -6.666 130 HA PRO 20 HA PRO 20 0.260 5.973 -4.628 131 1HB PRO 20 2HB PRO 20 -0.654 5.907 -7.469 132 2HB PRO 20 1HB PRO 20 -0.777 7.206 -6.276 133 1HG PRO 20 2HG PRO 20 1.056 7.315 -8.195 134 2HG PRO 20 1HG PRO 20 1.440 7.843 -6.546 135 1HD PRO 20 2HD PRO 20 2.226 5.344 -7.970 136 2HD PRO 20 1HD PRO 20 3.131 6.297 -6.776 137 H TYR 21 H TYR 21 0.381 3.222 -6.789 138 HA TYR 21 HA TYR 21 -2.294 2.384 -6.494 139 1HB TYR 21 2HB TYR 21 -0.238 0.341 -7.007 140 2HB TYR 21 1HB TYR 21 -1.690 0.737 -7.894 141 HD1 TYR 21 1HD TYR 21 1.651 0.469 -8.311 142 HD2 TYR 21 2HD TYR 21 -1.448 3.318 -8.924 143 HE1 TYR 21 1HE TYR 21 3.005 1.558 -10.050 144 HE2 TYR 21 2HE TYR 21 -0.103 4.415 -10.666 145 HH TYR 21 HH TYR 21 2.380 4.598 -11.232 146 H GLY 22 H GLY 22 -2.749 0.147 -5.613 147 1HA GLY 22 2HA GLY 22 -1.442 -1.201 -3.659 148 2HA GLY 22 1HA GLY 22 -2.111 0.166 -2.791 149 H LYS 23 H LYS 23 -2.988 -2.068 -1.796 150 HA LYS 23 HA LYS 23 -5.495 -2.712 -3.170 151 1HB LYS 23 2HB LYS 23 -3.830 -4.541 -2.412 152 2HB LYS 23 1HB LYS 23 -4.409 -4.195 -0.791 153 1HG LYS 23 2HG LYS 23 -6.574 -4.937 -1.279 154 2HG LYS 23 1HG LYS 23 -6.289 -4.883 -3.020 155 1HD LYS 23 2HD LYS 23 -4.361 -6.619 -2.246 156 2HD LYS 23 1HD LYS 23 -5.612 -6.965 -1.051 157 1HE LYS 23 2HE LYS 23 -7.008 -7.864 -2.580 158 2HE LYS 23 1HE LYS 23 -6.540 -6.718 -3.835 159 1HZ LYS 23 1HZ LYS 23 -4.578 -8.729 -3.017 160 2HZ LYS 23 2HZ LYS 23 -4.844 -8.036 -4.537 161 3HZ LYS 23 3HZ LYS 23 -5.883 -9.243 -3.966 162 H CYS 24 H CYS 24 -5.139 -0.259 -1.915 163 HA CYS 24 HA CYS 24 -6.443 -0.376 0.663 164 1HB CYS 24 2HB CYS 24 -5.684 1.766 0.979 165 2HB CYS 24 1HB CYS 24 -4.517 1.203 -0.200 166 H MET 25 H MET 25 -8.490 0.030 1.062 167 HA MET 25 HA MET 25 -10.220 1.615 -0.526 168 1HB MET 25 2HB MET 25 -10.143 -0.338 -2.020 169 2HB MET 25 1HB MET 25 -10.606 -1.386 -0.685 170 1HG MET 25 2HG MET 25 -12.778 -0.584 -0.639 171 2HG MET 25 1HG MET 25 -12.355 0.893 -1.503 172 1HE MET 25 1HE MET 25 -11.750 -3.121 -2.706 173 2HE MET 25 2HE MET 25 -13.473 -3.177 -3.080 174 3HE MET 25 3HE MET 25 -12.937 -2.742 -1.457 175 H ASN 26 H ASN 26 -12.085 2.087 0.600 176 HA ASN 26 HA ASN 26 -12.383 2.391 3.111 177 1HB ASN 26 2HB ASN 26 -14.692 0.736 2.426 178 2HB ASN 26 1HB ASN 26 -14.614 2.414 2.936 179 1HD2 ASN 26 1HD2 ASN 26 -13.808 3.949 1.239 180 2HD2 ASN 26 2HD2 ASN 26 -14.368 3.699 -0.376 181 H ARG 27 H ARG 27 -11.659 1.424 4.812 182 HA ARG 27 HA ARG 27 -11.336 -0.122 6.460 183 1HB ARG 27 2HB ARG 27 -13.658 -1.073 5.157 184 2HB ARG 27 1HB ARG 27 -12.614 -2.455 5.482 185 1HG ARG 27 2HG ARG 27 -13.416 -2.425 7.538 186 2HG ARG 27 1HG ARG 27 -12.460 -0.981 7.800 187 1HD ARG 27 2HD ARG 27 -15.375 -1.268 7.345 188 2HD ARG 27 1HD ARG 27 -14.494 -0.204 8.437 189 HE ARG 27 HE ARG 27 -15.279 0.357 5.732 190 1HH1 ARG 27 1HH1 ARG 27 -13.026 1.144 8.279 191 2HH1 ARG 27 2HH1 ARG 27 -12.684 2.724 7.659 192 1HH2 ARG 27 1HH2 ARG 27 -14.831 2.436 4.916 193 2HH2 ARG 27 2HH2 ARG 27 -13.709 3.458 5.750 194 H LYS 28 H LYS 28 -9.720 0.174 4.042 195 HA LYS 28 HA LYS 28 -8.008 -2.105 4.442 196 1HB LYS 28 2HB LYS 28 -9.880 -2.232 2.334 197 2HB LYS 28 1HB LYS 28 -8.319 -1.920 1.587 198 1HG LYS 28 2HG LYS 28 -9.015 -4.195 3.430 199 2HG LYS 28 1HG LYS 28 -8.712 -4.288 1.695 200 1HD LYS 28 2HD LYS 28 -6.407 -3.589 2.040 201 2HD LYS 28 1HD LYS 28 -6.701 -3.419 3.772 202 1HE LYS 28 2HE LYS 28 -6.614 -5.925 2.120 203 2HE LYS 28 1HE LYS 28 -5.646 -5.504 3.532 204 1HZ LYS 28 1HZ LYS 28 -8.518 -6.237 3.461 205 2HZ LYS 28 2HZ LYS 28 -7.775 -5.562 4.823 206 3HZ LYS 28 3HZ LYS 28 -7.256 -7.061 4.234 207 H CYS 29 H CYS 29 -5.917 -1.612 4.072 208 HA CYS 29 HA CYS 29 -5.188 0.712 2.537 209 1HB CYS 29 2HB CYS 29 -5.475 0.715 5.176 210 2HB CYS 29 1HB CYS 29 -3.796 0.296 5.004 211 H LYS 30 H LYS 30 -5.021 -1.874 2.206 212 HA LYS 30 HA LYS 30 -2.401 -2.915 2.643 213 1HB LYS 30 2HB LYS 30 -4.231 -4.474 2.613 214 2HB LYS 30 1HB LYS 30 -4.702 -3.969 1.000 215 1HG LYS 30 2HG LYS 30 -3.485 -5.643 0.207 216 2HG LYS 30 1HG LYS 30 -2.045 -4.783 0.753 217 1HD LYS 30 2HD LYS 30 -1.639 -6.506 2.104 218 2HD LYS 30 1HD LYS 30 -3.048 -6.012 3.044 219 1HE LYS 30 2HE LYS 30 -3.650 -7.587 0.637 220 2HE LYS 30 1HE LYS 30 -2.740 -8.447 1.877 221 1HZ LYS 30 1HZ LYS 30 -4.646 -7.234 3.328 222 2HZ LYS 30 2HZ LYS 30 -4.754 -8.819 2.745 223 3HZ LYS 30 3HZ LYS 30 -5.485 -7.554 1.894 224 H CYS 31 H CYS 31 -1.288 -1.180 1.719 225 HA CYS 31 HA CYS 31 -1.052 -0.083 -0.710 226 1HB CYS 31 2HB CYS 31 1.524 -0.628 -0.450 227 2HB CYS 31 1HB CYS 31 0.705 0.514 0.609 228 H ASN 32 H ASN 32 0.656 -0.517 -2.313 229 HA ASN 32 HA ASN 32 -0.035 -2.959 -3.738 230 1HB ASN 32 2HB ASN 32 0.037 -0.446 -4.530 231 2HB ASN 32 1HB ASN 32 1.698 -0.854 -4.850 232 1HD2 ASN 32 1HD2 ASN 32 -1.359 -2.606 -5.197 233 2HD2 ASN 32 2HD2 ASN 32 -1.145 -3.004 -6.865 234 H ARG 33 H ARG 33 1.860 -3.596 -5.284 235 HA ARG 33 HA ARG 33 4.271 -3.996 -3.643 236 1HB ARG 33 2HB ARG 33 3.032 -6.104 -3.993 237 2HB ARG 33 1HB ARG 33 3.108 -5.859 -5.733 238 1HG ARG 33 2HG ARG 33 4.772 -7.452 -5.127 239 2HG ARG 33 1HG ARG 33 5.587 -5.954 -5.576 240 1HD ARG 33 2HD ARG 33 5.578 -5.406 -3.084 241 2HD ARG 33 1HD ARG 33 5.148 -7.097 -2.832 242 HE ARG 33 HE ARG 33 7.319 -7.648 -3.235 243 1HH1 ARG 33 1HH1 ARG 33 6.720 -4.498 -4.613 244 2HH1 ARG 33 2HH1 ARG 33 8.372 -4.243 -5.064 245 1HH2 ARG 33 1HH2 ARG 33 9.494 -7.314 -3.828 246 2HH2 ARG 33 2HH2 ARG 33 9.947 -5.842 -4.619 247 H CYS 34 H CYS 34 4.898 -1.991 -4.510 248 HA CYS 34 HA CYS 34 5.784 -2.061 -7.306 249 1HB CYS 34 2HB CYS 34 4.279 -0.195 -6.453 250 2HB CYS 34 1HB CYS 34 5.686 0.358 -5.565 Start of MODEL 10 1 1H VAL 1 1HT VAL 1 -8.441 -1.168 -5.035 2 2H VAL 1 2HT VAL 1 -8.525 -0.718 -6.689 3 3H VAL 1 3HT VAL 1 -9.901 -1.384 -5.907 4 HA VAL 1 HA VAL 1 -9.912 1.050 -6.268 5 HB VAL 1 HB VAL 1 -10.660 1.501 -3.874 6 1HG1 VAL 1 1HG1 VAL 1 -12.697 0.607 -4.340 7 2HG1 VAL 1 2HG1 VAL 1 -12.029 -0.960 -4.796 8 3HG1 VAL 1 3HG1 VAL 1 -11.947 0.394 -5.923 9 1HG2 VAL 1 1HG2 VAL 1 -10.975 -0.603 -2.521 10 2HG2 VAL 1 2HG2 VAL 1 -9.317 -0.016 -2.640 11 3HG2 VAL 1 3HG2 VAL 1 -9.840 -1.384 -3.623 12 H SER 2 H SER 2 -9.016 3.013 -5.844 13 HA SER 2 HA SER 2 -6.410 2.975 -4.485 14 1HB SER 2 2HB SER 2 -5.749 4.793 -5.843 15 2HB SER 2 1HB SER 2 -6.636 3.725 -6.929 16 HG SER 2 HG SER 2 -7.213 5.994 -7.063 17 H CYS 3 H CYS 3 -5.931 4.375 -2.850 18 HA CYS 3 HA CYS 3 -8.221 5.707 -1.609 19 1HB CYS 3 2HB CYS 3 -5.482 5.351 -0.399 20 2HB CYS 3 1HB CYS 3 -7.000 5.668 0.431 21 H THR 4 H THR 4 -7.579 7.772 -0.351 22 HA THR 4 HA THR 4 -5.523 9.427 -1.381 23 HB THR 4 HB THR 4 -7.408 11.093 -2.301 24 HG1 THR 4 1HG THR 4 -8.378 8.536 -3.037 25 1HG2 THR 4 1HG2 THR 4 -5.464 9.459 -3.492 26 2HG2 THR 4 2HG2 THR 4 -6.250 10.888 -4.167 27 3HG2 THR 4 3HG2 THR 4 -6.932 9.287 -4.454 28 H GLY 5 H GLY 5 -6.607 8.629 1.158 29 1HA GLY 5 2HA GLY 5 -6.356 10.855 2.687 30 2HA GLY 5 1HA GLY 5 -8.057 10.874 2.245 31 H SER 6 H SER 6 -5.970 8.100 2.965 32 HA SER 6 HA SER 6 -7.948 7.021 4.749 33 1HB SER 6 2HB SER 6 -5.238 5.826 4.704 34 2HB SER 6 1HB SER 6 -6.816 5.053 4.554 35 HG SER 6 HG SER 6 -5.104 5.743 2.623 36 H LYS 7 H LYS 7 -6.477 5.833 6.741 37 HA LYS 7 HA LYS 7 -6.181 7.994 8.582 38 1HB LYS 7 2HB LYS 7 -5.338 5.140 9.057 39 2HB LYS 7 1HB LYS 7 -5.842 6.332 10.247 40 1HG LYS 7 2HG LYS 7 -8.111 6.297 9.168 41 2HG LYS 7 1HG LYS 7 -7.553 4.912 8.226 42 1HD LYS 7 2HD LYS 7 -7.516 5.027 11.239 43 2HD LYS 7 1HD LYS 7 -8.831 4.322 10.296 44 1HE LYS 7 2HE LYS 7 -7.534 2.554 9.565 45 2HE LYS 7 1HE LYS 7 -6.023 3.424 9.823 46 1HZ LYS 7 1HZ LYS 7 -7.792 2.469 12.006 47 2HZ LYS 7 2HZ LYS 7 -6.254 3.154 12.173 48 3HZ LYS 7 3HZ LYS 7 -6.428 1.634 11.451 49 H ASP 8 H ASP 8 -3.870 5.426 7.685 50 HA ASP 8 HA ASP 8 -1.746 7.104 7.019 51 1HB ASP 8 2HB ASP 8 -2.174 7.368 9.680 52 2HB ASP 8 1HB ASP 8 -1.054 6.010 9.681 53 H CYS 9 H CYS 9 -2.683 4.827 5.913 54 HA CYS 9 HA CYS 9 -0.728 2.760 6.623 55 1HB CYS 9 2HB CYS 9 -3.343 2.416 6.494 56 2HB CYS 9 1HB CYS 9 -2.959 2.155 4.807 57 H TYR 10 H TYR 10 -2.457 3.860 3.746 58 HA TYR 10 HA TYR 10 -0.805 2.849 1.809 59 1HB TYR 10 2HB TYR 10 -2.858 3.879 1.160 60 2HB TYR 10 1HB TYR 10 -2.386 5.421 1.864 61 HD1 TYR 10 1HD TYR 10 -1.519 7.071 0.488 62 HD2 TYR 10 2HD TYR 10 -1.349 3.019 -0.801 63 HE1 TYR 10 1HE TYR 10 -0.653 7.808 -1.692 64 HE2 TYR 10 2HE TYR 10 -0.482 3.745 -2.985 65 HH TYR 10 HH TYR 10 0.745 6.779 -3.560 66 H ALA 11 H ALA 11 -0.236 5.573 3.908 67 HA ALA 11 HA ALA 11 1.891 6.691 2.373 68 1HB ALA 11 1HB ALA 11 1.282 8.351 3.742 69 2HB ALA 11 2HB ALA 11 2.356 7.587 4.914 70 3HB ALA 11 3HB ALA 11 0.627 7.243 4.947 71 HA PRO 12 HA PRO 12 4.924 4.671 5.666 72 1HB PRO 12 2HB PRO 12 3.070 2.528 6.593 73 2HB PRO 12 1HB PRO 12 4.310 3.406 7.495 74 1HG PRO 12 2HG PRO 12 1.708 3.938 7.820 75 2HG PRO 12 1HG PRO 12 2.940 5.200 7.885 76 1HD PRO 12 2HD PRO 12 0.964 4.616 5.763 77 2HD PRO 12 1HD PRO 12 1.698 6.158 6.239 78 H CYS 13 H CYS 13 2.333 2.795 4.281 79 HA CYS 13 HA CYS 13 3.809 0.577 3.395 80 1HB CYS 13 2HB CYS 13 1.228 1.095 3.525 81 2HB CYS 13 1HB CYS 13 1.480 1.497 1.844 82 H ARG 14 H ARG 14 2.541 3.308 1.528 83 HA ARG 14 HA ARG 14 3.679 2.746 -0.891 84 1HB ARG 14 2HB ARG 14 2.140 4.593 -0.629 85 2HB ARG 14 1HB ARG 14 3.289 5.457 0.383 86 1HG ARG 14 2HG ARG 14 4.645 4.942 -2.005 87 2HG ARG 14 1HG ARG 14 3.019 5.434 -2.480 88 1HD ARG 14 2HD ARG 14 4.978 6.945 -0.763 89 2HD ARG 14 1HD ARG 14 4.356 7.404 -2.348 90 HE ARG 14 HE ARG 14 2.184 7.152 -0.616 91 1HH1 ARG 14 1HH1 ARG 14 4.997 9.178 -1.018 92 2HH1 ARG 14 2HH1 ARG 14 4.256 10.566 -0.296 93 1HH2 ARG 14 1HH2 ARG 14 1.207 8.977 0.333 94 2HH2 ARG 14 2HH2 ARG 14 2.104 10.452 0.472 95 H LYS 15 H LYS 15 5.194 4.124 1.932 96 HA LYS 15 HA LYS 15 7.626 4.904 0.719 97 1HB LYS 15 2HB LYS 15 6.529 5.042 3.265 98 2HB LYS 15 1HB LYS 15 7.896 3.955 3.460 99 1HG LYS 15 2HG LYS 15 8.911 5.955 3.857 100 2HG LYS 15 1HG LYS 15 9.160 5.825 2.116 101 1HD LYS 15 2HD LYS 15 6.843 7.070 2.024 102 2HD LYS 15 1HD LYS 15 7.306 7.586 3.647 103 1HE LYS 15 2HE LYS 15 8.337 9.259 2.551 104 2HE LYS 15 1HE LYS 15 9.603 8.056 2.308 105 1HZ LYS 15 1HZ LYS 15 8.588 7.506 0.166 106 2HZ LYS 15 2HZ LYS 15 9.058 9.129 0.236 107 3HZ LYS 15 3HZ LYS 15 7.426 8.716 0.398 108 H GLN 16 H GLN 16 6.528 1.926 2.279 109 HA GLN 16 HA GLN 16 9.000 0.545 1.994 110 1HB GLN 16 2HB GLN 16 6.894 0.083 3.522 111 2HB GLN 16 1HB GLN 16 6.404 -0.919 2.162 112 1HG GLN 16 2HG GLN 16 8.193 -2.372 2.422 113 2HG GLN 16 1HG GLN 16 9.125 -1.209 3.365 114 1HE2 GLN 16 1HE2 GLN 16 8.978 -1.246 5.523 115 2HE2 GLN 16 2HE2 GLN 16 7.913 -2.262 6.425 116 H THR 17 H THR 17 5.894 0.225 0.243 117 HA THR 17 HA THR 17 6.961 -1.549 -1.697 118 HB THR 17 HB THR 17 4.440 0.111 -1.744 119 HG1 THR 17 1HG THR 17 4.538 -1.421 -0.054 120 1HG2 THR 17 1HG2 THR 17 4.870 -0.570 -3.987 121 2HG2 THR 17 2HG2 THR 17 3.612 -1.614 -3.326 122 3HG2 THR 17 3HG2 THR 17 5.266 -2.208 -3.468 123 H GLY 18 H GLY 18 5.780 1.764 -2.097 124 1HA GLY 18 2HA GLY 18 7.410 3.320 -3.151 125 2HA GLY 18 1HA GLY 18 7.613 2.052 -4.324 126 H CYS 19 H CYS 19 6.476 2.148 -6.069 127 HA CYS 19 HA CYS 19 5.153 3.989 -7.240 128 1HB CYS 19 2HB CYS 19 3.550 2.316 -8.216 129 2HB CYS 19 1HB CYS 19 5.272 2.064 -8.404 130 HA PRO 20 HA PRO 20 1.732 5.549 -4.890 131 1HB PRO 20 2HB PRO 20 0.235 6.530 -6.987 132 2HB PRO 20 1HB PRO 20 1.597 7.373 -6.243 133 1HG PRO 20 2HG PRO 20 1.521 5.727 -8.739 134 2HG PRO 20 1HG PRO 20 2.363 7.258 -8.429 135 1HD PRO 20 2HD PRO 20 3.672 4.921 -8.421 136 2HD PRO 20 1HD PRO 20 4.092 6.218 -7.283 137 H TYR 21 H TYR 21 1.384 3.121 -7.322 138 HA TYR 21 HA TYR 21 -1.398 2.733 -7.151 139 1HB TYR 21 2HB TYR 21 0.343 0.437 -7.810 140 2HB TYR 21 1HB TYR 21 -1.045 1.084 -8.645 141 HD1 TYR 21 1HD TYR 21 2.057 0.275 -9.362 142 HD2 TYR 21 2HD TYR 21 -0.302 3.814 -9.259 143 HE1 TYR 21 1HE TYR 21 3.532 1.301 -11.040 144 HE2 TYR 21 2HE TYR 21 1.166 4.849 -10.938 145 HH TYR 21 HH TYR 21 2.962 3.474 -12.909 146 H GLY 22 H GLY 22 -2.328 0.625 -6.396 147 1HA GLY 22 2HA GLY 22 -1.274 -1.074 -4.514 148 2HA GLY 22 1HA GLY 22 -1.790 0.324 -3.594 149 H LYS 23 H LYS 23 -2.872 -2.208 -3.164 150 HA LYS 23 HA LYS 23 -5.513 -2.032 -4.419 151 1HB LYS 23 2HB LYS 23 -5.529 -4.365 -2.926 152 2HB LYS 23 1HB LYS 23 -5.277 -4.248 -4.659 153 1HG LYS 23 2HG LYS 23 -2.795 -3.967 -4.081 154 2HG LYS 23 1HG LYS 23 -3.247 -4.565 -2.482 155 1HD LYS 23 2HD LYS 23 -4.442 -6.433 -3.944 156 2HD LYS 23 1HD LYS 23 -3.189 -5.971 -5.098 157 1HE LYS 23 2HE LYS 23 -1.463 -6.598 -3.653 158 2HE LYS 23 1HE LYS 23 -2.517 -6.584 -2.241 159 1HZ LYS 23 1HZ LYS 23 -3.510 -8.584 -2.878 160 2HZ LYS 23 2HZ LYS 23 -1.862 -8.831 -3.174 161 3HZ LYS 23 3HZ LYS 23 -2.910 -8.500 -4.459 162 H CYS 24 H CYS 24 -4.656 -0.219 -2.424 163 HA CYS 24 HA CYS 24 -5.773 -0.979 0.097 164 1HB CYS 24 2HB CYS 24 -5.089 1.145 0.861 165 2HB CYS 24 1HB CYS 24 -3.877 0.681 -0.320 166 H MET 25 H MET 25 -7.793 -0.873 0.738 167 HA MET 25 HA MET 25 -9.695 0.746 -0.831 168 1HB MET 25 2HB MET 25 -11.418 -0.869 -0.266 169 2HB MET 25 1HB MET 25 -10.065 -1.693 -1.029 170 1HG MET 25 2HG MET 25 -9.271 -2.423 1.160 171 2HG MET 25 1HG MET 25 -10.626 -1.594 1.926 172 1HE MET 25 1HE MET 25 -12.556 -4.249 2.744 173 2HE MET 25 2HE MET 25 -13.494 -3.179 1.700 174 3HE MET 25 3HE MET 25 -12.234 -2.516 2.741 175 H ASN 26 H ASN 26 -11.225 1.941 0.258 176 HA ASN 26 HA ASN 26 -10.512 3.256 2.545 177 1HB ASN 26 2HB ASN 26 -13.428 2.775 2.150 178 2HB ASN 26 1HB ASN 26 -12.589 4.262 2.561 179 1HD2 ASN 26 1HD2 ASN 26 -13.742 2.240 0.033 180 2HD2 ASN 26 2HD2 ASN 26 -13.359 3.294 -1.282 181 H ARG 27 H ARG 27 -10.345 2.772 4.595 182 HA ARG 27 HA ARG 27 -10.685 1.839 6.644 183 1HB ARG 27 2HB ARG 27 -13.186 1.456 5.367 184 2HB ARG 27 1HB ARG 27 -12.789 -0.010 6.260 185 1HG ARG 27 2HG ARG 27 -12.181 2.394 7.759 186 2HG ARG 27 1HG ARG 27 -13.868 2.297 7.294 187 1HD ARG 27 2HD ARG 27 -12.975 1.215 9.521 188 2HD ARG 27 1HD ARG 27 -14.265 0.462 8.588 189 HE ARG 27 HE ARG 27 -11.601 -0.421 7.909 190 1HH1 ARG 27 1HH1 ARG 27 -14.394 -0.960 9.933 191 2HH1 ARG 27 2HH1 ARG 27 -14.013 -2.622 10.229 192 1HH2 ARG 27 1HH2 ARG 27 -11.099 -2.607 8.299 193 2HH2 ARG 27 2HH2 ARG 27 -12.142 -3.557 9.302 194 H LYS 28 H LYS 28 -9.084 0.695 4.483 195 HA LYS 28 HA LYS 28 -7.994 -1.500 5.729 196 1HB LYS 28 2HB LYS 28 -10.035 -2.741 5.388 197 2HB LYS 28 1HB LYS 28 -10.069 -2.312 3.684 198 1HG LYS 28 2HG LYS 28 -9.352 -4.577 3.882 199 2HG LYS 28 1HG LYS 28 -7.967 -3.605 3.381 200 1HD LYS 28 2HD LYS 28 -6.846 -3.975 5.306 201 2HD LYS 28 1HD LYS 28 -8.312 -3.919 6.289 202 1HE LYS 28 2HE LYS 28 -8.727 -6.205 4.911 203 2HE LYS 28 1HE LYS 28 -6.966 -6.208 5.009 204 1HZ LYS 28 1HZ LYS 28 -7.575 -7.290 6.929 205 2HZ LYS 28 2HZ LYS 28 -8.942 -6.329 7.186 206 3HZ LYS 28 3HZ LYS 28 -7.402 -5.703 7.491 207 H CYS 29 H CYS 29 -6.109 -0.584 4.986 208 HA CYS 29 HA CYS 29 -5.570 0.086 2.352 209 1HB CYS 29 2HB CYS 29 -3.315 0.214 3.346 210 2HB CYS 29 1HB CYS 29 -4.495 1.134 4.203 211 H LYS 30 H LYS 30 -4.011 -0.952 0.943 212 HA LYS 30 HA LYS 30 -3.019 -3.560 1.485 213 1HB LYS 30 2HB LYS 30 -5.661 -3.433 0.489 214 2HB LYS 30 1HB LYS 30 -4.651 -3.942 -0.857 215 1HG LYS 30 2HG LYS 30 -5.088 -5.977 0.022 216 2HG LYS 30 1HG LYS 30 -3.678 -5.573 1.004 217 1HD LYS 30 2HD LYS 30 -6.102 -4.514 2.170 218 2HD LYS 30 1HD LYS 30 -6.225 -6.255 1.914 219 1HE LYS 30 2HE LYS 30 -3.775 -5.084 3.169 220 2HE LYS 30 1HE LYS 30 -5.227 -5.345 4.135 221 1HZ LYS 30 1HZ LYS 30 -3.724 -7.409 2.618 222 2HZ LYS 30 2HZ LYS 30 -5.178 -7.688 3.435 223 3HZ LYS 30 3HZ LYS 30 -3.795 -7.246 4.301 224 H CYS 31 H CYS 31 -1.164 -2.457 0.929 225 HA CYS 31 HA CYS 31 -0.392 -0.951 -1.164 226 1HB CYS 31 2HB CYS 31 0.900 -2.935 0.518 227 2HB CYS 31 1HB CYS 31 1.654 -2.812 -1.066 228 H ASN 32 H ASN 32 0.931 -1.475 -3.003 229 HA ASN 32 HA ASN 32 -0.508 -3.201 -4.841 230 1HB ASN 32 2HB ASN 32 0.381 -0.726 -5.103 231 2HB ASN 32 1HB ASN 32 1.821 -1.567 -5.611 232 1HD2 ASN 32 1HD2 ASN 32 -1.634 -2.166 -6.112 233 2HD2 ASN 32 2HD2 ASN 32 -1.550 -2.233 -7.835 234 H ARG 33 H ARG 33 1.081 -4.054 -6.616 235 HA ARG 33 HA ARG 33 3.155 -5.632 -5.246 236 1HB ARG 33 2HB ARG 33 1.280 -6.961 -6.224 237 2HB ARG 33 1HB ARG 33 1.681 -6.309 -7.807 238 1HG ARG 33 2HG ARG 33 2.561 -8.571 -7.472 239 2HG ARG 33 1HG ARG 33 3.841 -7.388 -7.748 240 1HD ARG 33 2HD ARG 33 4.277 -7.284 -5.352 241 2HD ARG 33 1HD ARG 33 2.973 -8.434 -5.054 242 HE ARG 33 HE ARG 33 5.631 -9.024 -5.976 243 1HH1 ARG 33 1HH1 ARG 33 2.323 -10.134 -5.882 244 2HH1 ARG 33 2HH1 ARG 33 2.745 -11.800 -6.097 245 1HH2 ARG 33 1HH2 ARG 33 6.187 -11.214 -6.259 246 2HH2 ARG 33 2HH2 ARG 33 4.938 -12.413 -6.310 247 H CYS 34 H CYS 34 4.568 -3.888 -5.470 248 HA CYS 34 HA CYS 34 5.367 -3.058 -8.120 249 1HB CYS 34 2HB CYS 34 5.278 -1.860 -5.653 250 2HB CYS 34 1HB CYS 34 6.987 -2.098 -5.945 Start of MODEL 11 1 1H VAL 1 1HT VAL 1 -9.387 4.266 -8.995 2 2H VAL 1 2HT VAL 1 -10.473 4.128 -7.673 3 3H VAL 1 3HT VAL 1 -9.572 2.762 -8.192 4 HA VAL 1 HA VAL 1 -7.584 3.653 -7.462 5 HB VAL 1 HB VAL 1 -7.536 5.913 -6.361 6 1HG1 VAL 1 1HG1 VAL 1 -6.706 5.449 -8.667 7 2HG1 VAL 1 2HG1 VAL 1 -7.226 7.114 -8.408 8 3HG1 VAL 1 3HG1 VAL 1 -8.267 5.990 -9.284 9 1HG2 VAL 1 1HG2 VAL 1 -9.289 7.369 -6.418 10 2HG2 VAL 1 2HG2 VAL 1 -10.189 5.853 -6.365 11 3HG2 VAL 1 3HG2 VAL 1 -9.953 6.686 -7.902 12 H SER 2 H SER 2 -6.937 3.134 -5.429 13 HA SER 2 HA SER 2 -9.072 2.706 -3.457 14 1HB SER 2 2HB SER 2 -6.545 1.480 -2.750 15 2HB SER 2 1HB SER 2 -8.117 0.725 -3.017 16 HG SER 2 HG SER 2 -6.029 1.189 -4.838 17 H CYS 3 H CYS 3 -9.171 3.974 -1.735 18 HA CYS 3 HA CYS 3 -8.648 5.525 -0.156 19 1HB CYS 3 2HB CYS 3 -5.762 4.734 -0.271 20 2HB CYS 3 1HB CYS 3 -6.749 5.144 1.126 21 H THR 4 H THR 4 -7.292 7.484 0.313 22 HA THR 4 HA THR 4 -5.639 8.558 -1.752 23 HB THR 4 HB THR 4 -8.271 9.978 -1.385 24 HG1 THR 4 1HG THR 4 -7.559 8.046 -3.327 25 1HG2 THR 4 1HG2 THR 4 -5.879 10.393 -3.027 26 2HG2 THR 4 2HG2 THR 4 -7.080 11.546 -2.446 27 3HG2 THR 4 3HG2 THR 4 -7.417 10.563 -3.872 28 H GLY 5 H GLY 5 -5.579 8.125 1.111 29 1HA GLY 5 2HA GLY 5 -4.178 10.238 2.047 30 2HA GLY 5 1HA GLY 5 -5.839 10.719 2.359 31 H SER 6 H SER 6 -7.144 9.334 3.731 32 HA SER 6 HA SER 6 -7.498 8.249 5.699 33 1HB SER 6 2HB SER 6 -5.152 6.467 5.375 34 2HB SER 6 1HB SER 6 -6.839 6.067 5.697 35 HG SER 6 HG SER 6 -7.187 6.714 3.425 36 H LYS 7 H LYS 7 -5.812 7.057 7.545 37 HA LYS 7 HA LYS 7 -4.815 9.302 8.934 38 1HB LYS 7 2HB LYS 7 -4.588 6.333 9.354 39 2HB LYS 7 1HB LYS 7 -3.739 7.462 10.401 40 1HG LYS 7 2HG LYS 7 -5.734 6.968 11.516 41 2HG LYS 7 1HG LYS 7 -5.994 8.558 10.797 42 1HD LYS 7 2HD LYS 7 -7.950 7.148 10.478 43 2HD LYS 7 1HD LYS 7 -7.188 7.503 8.928 44 1HE LYS 7 2HE LYS 7 -6.578 5.353 8.583 45 2HE LYS 7 1HE LYS 7 -6.268 5.055 10.293 46 1HZ LYS 7 1HZ LYS 7 -8.132 3.763 9.686 47 2HZ LYS 7 2HZ LYS 7 -8.888 5.060 8.908 48 3HZ LYS 7 3HZ LYS 7 -8.737 5.057 10.592 49 H ASP 8 H ASP 8 -3.062 6.521 7.544 50 HA ASP 8 HA ASP 8 -1.074 7.932 6.252 51 1HB ASP 8 2HB ASP 8 -0.670 7.798 9.150 52 2HB ASP 8 1HB ASP 8 0.694 7.168 8.231 53 H CYS 9 H CYS 9 -1.866 6.007 5.060 54 HA CYS 9 HA CYS 9 -0.461 3.556 5.840 55 1HB CYS 9 2HB CYS 9 -3.045 3.735 5.367 56 2HB CYS 9 1HB CYS 9 -2.500 3.525 3.717 57 H TYR 10 H TYR 10 -1.543 5.071 2.846 58 HA TYR 10 HA TYR 10 0.139 3.875 1.061 59 1HB TYR 10 2HB TYR 10 -1.269 6.465 1.184 60 2HB TYR 10 1HB TYR 10 0.081 6.410 0.057 61 HD1 TYR 10 1HD TYR 10 -0.070 3.667 -0.962 62 HD2 TYR 10 2HD TYR 10 -3.185 6.439 -0.125 63 HE1 TYR 10 1HE TYR 10 -1.498 2.557 -2.624 64 HE2 TYR 10 2HE TYR 10 -4.623 5.335 -1.785 65 HH TYR 10 HH TYR 10 -3.423 3.021 -4.005 66 H ALA 11 H ALA 11 0.911 6.336 3.399 67 HA ALA 11 HA ALA 11 3.395 7.103 2.238 68 1HB ALA 11 1HB ALA 11 2.687 8.764 3.613 69 2HB ALA 11 2HB ALA 11 3.743 7.916 4.742 70 3HB ALA 11 3HB ALA 11 2.001 7.648 4.794 71 HA PRO 12 HA PRO 12 5.527 4.551 5.869 72 1HB PRO 12 2HB PRO 12 3.747 2.447 6.540 73 2HB PRO 12 1HB PRO 12 4.259 3.781 7.576 74 1HG PRO 12 2HG PRO 12 1.783 3.477 5.964 75 2HG PRO 12 1HG PRO 12 2.034 4.328 7.496 76 1HD PRO 12 2HD PRO 12 1.735 5.670 5.202 77 2HD PRO 12 1HD PRO 12 2.877 6.226 6.446 78 H CYS 13 H CYS 13 3.288 3.321 3.498 79 HA CYS 13 HA CYS 13 4.924 1.001 2.921 80 1HB CYS 13 2HB CYS 13 2.277 1.398 2.804 81 2HB CYS 13 1HB CYS 13 2.711 1.696 1.137 82 H ARG 14 H ARG 14 3.658 3.757 1.064 83 HA ARG 14 HA ARG 14 4.981 3.322 -1.277 84 1HB ARG 14 2HB ARG 14 3.407 5.136 -1.104 85 2HB ARG 14 1HB ARG 14 4.392 5.950 0.101 86 1HG ARG 14 2HG ARG 14 6.081 5.731 -2.074 87 2HG ARG 14 1HG ARG 14 4.509 6.071 -2.794 88 1HD ARG 14 2HD ARG 14 5.675 7.669 -0.525 89 2HD ARG 14 1HD ARG 14 5.902 8.087 -2.222 90 HE ARG 14 HE ARG 14 3.147 7.752 -1.497 91 1HH1 ARG 14 1HH1 ARG 14 5.821 9.994 -1.555 92 2HH1 ARG 14 2HH1 ARG 14 4.805 11.398 -1.569 93 1HH2 ARG 14 1HH2 ARG 14 1.812 9.596 -1.515 94 2HH2 ARG 14 2HH2 ARG 14 2.529 11.172 -1.545 95 H LYS 15 H LYS 15 6.314 4.424 1.721 96 HA LYS 15 HA LYS 15 8.775 5.386 0.734 97 1HB LYS 15 2HB LYS 15 7.611 4.754 3.316 98 2HB LYS 15 1HB LYS 15 9.291 4.239 3.239 99 1HG LYS 15 2HG LYS 15 8.668 6.959 2.255 100 2HG LYS 15 1HG LYS 15 8.566 6.680 3.995 101 1HD LYS 15 2HD LYS 15 10.803 6.382 4.213 102 2HD LYS 15 1HD LYS 15 10.960 5.608 2.635 103 1HE LYS 15 2HE LYS 15 10.243 8.473 2.629 104 2HE LYS 15 1HE LYS 15 11.871 8.077 3.177 105 1HZ LYS 15 1HZ LYS 15 12.019 6.702 1.065 106 2HZ LYS 15 2HZ LYS 15 12.061 8.382 0.886 107 3HZ LYS 15 3HZ LYS 15 10.639 7.532 0.545 108 H GLN 16 H GLN 16 7.837 2.216 2.086 109 HA GLN 16 HA GLN 16 10.320 1.000 1.384 110 1HB GLN 16 2HB GLN 16 9.177 -1.131 1.982 111 2HB GLN 16 1HB GLN 16 9.123 0.097 3.237 112 1HG GLN 16 2HG GLN 16 6.826 0.648 2.576 113 2HG GLN 16 1HG GLN 16 6.886 -0.624 1.358 114 1HE2 GLN 16 1HE2 GLN 16 6.250 -2.583 1.928 115 2HE2 GLN 16 2HE2 GLN 16 6.011 -3.135 3.547 116 H THR 17 H THR 17 7.031 0.647 -0.002 117 HA THR 17 HA THR 17 7.910 -1.057 -2.081 118 HB THR 17 HB THR 17 5.614 -1.038 -1.145 119 HG1 THR 17 1HG THR 17 5.009 -1.881 -2.953 120 1HG2 THR 17 1HG2 THR 17 5.256 1.391 -1.059 121 2HG2 THR 17 2HG2 THR 17 3.979 0.537 -1.924 122 3HG2 THR 17 3HG2 THR 17 5.210 1.426 -2.820 123 H GLY 18 H GLY 18 6.939 2.342 -2.105 124 1HA GLY 18 2HA GLY 18 8.294 3.856 -3.485 125 2HA GLY 18 1HA GLY 18 8.255 2.594 -4.684 126 H CYS 19 H CYS 19 6.814 2.784 -6.213 127 HA CYS 19 HA CYS 19 5.234 4.727 -6.881 128 1HB CYS 19 2HB CYS 19 3.560 2.914 -7.693 129 2HB CYS 19 1HB CYS 19 5.094 3.237 -8.454 130 HA PRO 20 HA PRO 20 2.050 5.433 -3.926 131 1HB PRO 20 2HB PRO 20 0.226 6.734 -5.429 132 2HB PRO 20 1HB PRO 20 1.771 7.455 -4.963 133 1HG PRO 20 2HG PRO 20 0.993 6.152 -7.546 134 2HG PRO 20 1HG PRO 20 1.896 7.657 -7.280 135 1HD PRO 20 2HD PRO 20 3.106 5.306 -7.882 136 2HD PRO 20 1HD PRO 20 3.869 6.547 -6.867 137 H TYR 21 H TYR 21 1.657 3.038 -6.198 138 HA TYR 21 HA TYR 21 -1.132 2.676 -6.146 139 1HB TYR 21 2HB TYR 21 0.661 0.340 -6.499 140 2HB TYR 21 1HB TYR 21 -0.733 0.848 -7.409 141 HD1 TYR 21 1HD TYR 21 2.242 -0.036 -8.203 142 HD2 TYR 21 2HD TYR 21 0.075 3.625 -8.136 143 HE1 TYR 21 1HE TYR 21 3.683 0.843 -9.991 144 HE2 TYR 21 2HE TYR 21 1.513 4.516 -9.921 145 HH TYR 21 HH TYR 21 3.561 2.581 -11.768 146 H GLY 22 H GLY 22 -2.161 0.706 -5.217 147 1HA GLY 22 2HA GLY 22 -1.089 -0.684 -3.024 148 2HA GLY 22 1HA GLY 22 -1.967 0.695 -2.417 149 H LYS 23 H LYS 23 -2.593 -2.159 -2.022 150 HA LYS 23 HA LYS 23 -5.036 -2.434 -3.601 151 1HB LYS 23 2HB LYS 23 -3.175 -4.305 -2.764 152 2HB LYS 23 1HB LYS 23 -4.513 -4.541 -1.648 153 1HG LYS 23 2HG LYS 23 -5.888 -5.350 -3.249 154 2HG LYS 23 1HG LYS 23 -5.205 -4.324 -4.511 155 1HD LYS 23 2HD LYS 23 -3.604 -5.835 -5.060 156 2HD LYS 23 1HD LYS 23 -3.426 -6.409 -3.402 157 1HE LYS 23 2HE LYS 23 -4.391 -8.233 -4.431 158 2HE LYS 23 1HE LYS 23 -5.801 -7.401 -3.776 159 1HZ LYS 23 1HZ LYS 23 -5.659 -8.205 -6.281 160 2HZ LYS 23 2HZ LYS 23 -4.976 -6.670 -6.474 161 3HZ LYS 23 3HZ LYS 23 -6.529 -6.828 -5.822 162 H CYS 24 H CYS 24 -4.175 -0.819 -0.999 163 HA CYS 24 HA CYS 24 -5.765 -1.505 1.128 164 1HB CYS 24 2HB CYS 24 -5.476 0.735 1.892 165 2HB CYS 24 1HB CYS 24 -4.019 0.302 1.017 166 H MET 25 H MET 25 -7.858 -1.676 1.430 167 HA MET 25 HA MET 25 -9.686 -0.239 -0.383 168 1HB MET 25 2HB MET 25 -9.537 -2.913 -0.107 169 2HB MET 25 1HB MET 25 -10.671 -2.555 1.188 170 1HG MET 25 2HG MET 25 -12.285 -1.770 -0.259 171 2HG MET 25 1HG MET 25 -11.121 -1.429 -1.537 172 1HE MET 25 1HE MET 25 -10.210 -3.525 -3.310 173 2HE MET 25 2HE MET 25 -11.559 -2.404 -3.487 174 3HE MET 25 3HE MET 25 -11.779 -4.113 -3.863 175 H ASN 26 H ASN 26 -11.462 0.802 0.467 176 HA ASN 26 HA ASN 26 -11.200 2.204 2.800 177 1HB ASN 26 2HB ASN 26 -13.973 1.415 2.053 178 2HB ASN 26 1HB ASN 26 -13.348 2.989 2.516 179 1HD2 ASN 26 1HD2 ASN 26 -13.439 4.396 0.941 180 2HD2 ASN 26 2HD2 ASN 26 -13.208 4.072 -0.740 181 H ARG 27 H ARG 27 -11.243 1.741 4.866 182 HA ARG 27 HA ARG 27 -11.746 0.776 6.868 183 1HB ARG 27 2HB ARG 27 -14.055 0.353 5.434 184 2HB ARG 27 1HB ARG 27 -13.596 -1.281 5.895 185 1HG ARG 27 2HG ARG 27 -13.304 0.417 8.162 186 2HG ARG 27 1HG ARG 27 -14.895 0.687 7.448 187 1HD ARG 27 2HD ARG 27 -15.011 -1.908 7.375 188 2HD ARG 27 1HD ARG 27 -13.723 -1.824 8.577 189 HE ARG 27 HE ARG 27 -15.308 -1.286 10.114 190 1HH1 ARG 27 1HH1 ARG 27 -16.514 -0.384 6.965 191 2HH1 ARG 27 2HH1 ARG 27 -18.055 0.128 7.564 192 1HH2 ARG 27 1HH2 ARG 27 -17.336 -0.612 10.904 193 2HH2 ARG 27 2HH2 ARG 27 -18.522 -0.001 9.800 194 H LYS 28 H LYS 28 -9.746 -0.166 4.968 195 HA LYS 28 HA LYS 28 -8.601 -2.238 6.346 196 1HB LYS 28 2HB LYS 28 -10.722 -3.177 4.565 197 2HB LYS 28 1HB LYS 28 -9.177 -3.957 4.258 198 1HG LYS 28 2HG LYS 28 -10.030 -3.761 7.081 199 2HG LYS 28 1HG LYS 28 -10.934 -4.864 6.041 200 1HD LYS 28 2HD LYS 28 -8.391 -5.484 5.350 201 2HD LYS 28 1HD LYS 28 -8.172 -5.038 7.043 202 1HE LYS 28 2HE LYS 28 -9.562 -6.733 7.801 203 2HE LYS 28 1HE LYS 28 -10.377 -6.895 6.247 204 1HZ LYS 28 1HZ LYS 28 -8.921 -8.759 6.622 205 2HZ LYS 28 2HZ LYS 28 -7.596 -7.736 6.863 206 3HZ LYS 28 3HZ LYS 28 -8.321 -7.834 5.337 207 H CYS 29 H CYS 29 -6.726 -1.198 5.823 208 HA CYS 29 HA CYS 29 -5.988 -0.541 3.167 209 1HB CYS 29 2HB CYS 29 -5.198 0.496 5.387 210 2HB CYS 29 1HB CYS 29 -4.037 -0.812 5.380 211 H LYS 30 H LYS 30 -3.984 -1.344 2.129 212 HA LYS 30 HA LYS 30 -2.604 -3.613 2.744 213 1HB LYS 30 2HB LYS 30 -3.758 -5.310 1.218 214 2HB LYS 30 1HB LYS 30 -4.483 -5.019 2.791 215 1HG LYS 30 2HG LYS 30 -5.994 -3.351 1.568 216 2HG LYS 30 1HG LYS 30 -5.432 -4.140 0.094 217 1HD LYS 30 2HD LYS 30 -6.495 -5.774 2.361 218 2HD LYS 30 1HD LYS 30 -7.608 -4.972 1.251 219 1HE LYS 30 2HE LYS 30 -7.375 -6.979 0.186 220 2HE LYS 30 1HE LYS 30 -6.053 -6.086 -0.564 221 1HZ LYS 30 1HZ LYS 30 -4.493 -7.290 0.529 222 2HZ LYS 30 2HZ LYS 30 -5.710 -8.464 0.484 223 3HZ LYS 30 3HZ LYS 30 -5.463 -7.557 1.890 224 H CYS 31 H CYS 31 -1.115 -2.336 1.725 225 HA CYS 31 HA CYS 31 -0.979 -1.133 -0.706 226 1HB CYS 31 2HB CYS 31 1.259 -2.926 0.196 227 2HB CYS 31 1HB CYS 31 1.361 -1.388 -0.654 228 H ASN 32 H ASN 32 0.221 -1.797 -2.617 229 HA ASN 32 HA ASN 32 -0.867 -4.299 -3.685 230 1HB ASN 32 2HB ASN 32 -1.335 -1.851 -4.486 231 2HB ASN 32 1HB ASN 32 0.162 -2.089 -5.339 232 1HD2 ASN 32 1HD2 ASN 32 -3.056 -2.240 -5.679 233 2HD2 ASN 32 2HD2 ASN 32 -3.187 -3.435 -6.919 234 H ARG 33 H ARG 33 0.469 -4.856 -5.770 235 HA ARG 33 HA ARG 33 3.120 -5.516 -4.838 236 1HB ARG 33 2HB ARG 33 1.542 -6.983 -6.320 237 2HB ARG 33 1HB ARG 33 2.154 -6.005 -7.647 238 1HG ARG 33 2HG ARG 33 3.458 -7.976 -7.578 239 2HG ARG 33 1HG ARG 33 4.468 -6.674 -6.947 240 1HD ARG 33 2HD ARG 33 3.500 -7.469 -4.641 241 2HD ARG 33 1HD ARG 33 3.210 -8.971 -5.519 242 HE ARG 33 HE ARG 33 5.745 -7.916 -4.670 243 1HH1 ARG 33 1HH1 ARG 33 4.141 -10.010 -6.955 244 2HH1 ARG 33 2HH1 ARG 33 5.550 -10.972 -7.253 245 1HH2 ARG 33 1HH2 ARG 33 7.599 -9.181 -5.060 246 2HH2 ARG 33 2HH2 ARG 33 7.513 -10.502 -6.177 247 H CYS 34 H CYS 34 3.562 -3.278 -4.586 248 HA CYS 34 HA CYS 34 4.374 -1.893 -7.029 249 1HB CYS 34 2HB CYS 34 2.934 -0.553 -5.766 250 2HB CYS 34 1HB CYS 34 3.710 -0.998 -4.268 Start of MODEL 12 1 1H VAL 1 1HT VAL 1 -1.889 9.340 -6.645 2 2H VAL 1 2HT VAL 1 -3.270 10.347 -6.482 3 3H VAL 1 3HT VAL 1 -2.238 10.515 -7.843 4 HA VAL 1 HA VAL 1 -4.440 9.275 -8.049 5 HB VAL 1 HB VAL 1 -3.422 7.756 -9.724 6 1HG1 VAL 1 1HG1 VAL 1 -3.741 10.354 -9.928 7 2HG1 VAL 1 2HG1 VAL 1 -2.920 9.443 -11.195 8 3HG1 VAL 1 3HG1 VAL 1 -1.980 10.348 -10.009 9 1HG2 VAL 1 1HG2 VAL 1 -0.884 8.653 -8.392 10 2HG2 VAL 1 2HG2 VAL 1 -0.906 8.056 -10.051 11 3HG2 VAL 1 3HG2 VAL 1 -1.431 7.011 -8.731 12 H SER 2 H SER 2 -5.503 7.387 -7.662 13 HA SER 2 HA SER 2 -6.071 5.441 -6.635 14 1HB SER 2 2HB SER 2 -3.087 4.937 -6.751 15 2HB SER 2 1HB SER 2 -4.301 3.724 -6.341 16 HG SER 2 HG SER 2 -4.749 3.511 -8.382 17 H CYS 3 H CYS 3 -6.790 5.335 -4.624 18 HA CYS 3 HA CYS 3 -6.944 5.536 -2.359 19 1HB CYS 3 2HB CYS 3 -3.974 5.043 -2.523 20 2HB CYS 3 1HB CYS 3 -4.903 5.029 -1.033 21 H THR 4 H THR 4 -5.792 6.667 -0.412 22 HA THR 4 HA THR 4 -4.433 9.111 -0.934 23 HB THR 4 HB THR 4 -7.284 9.429 0.006 24 HG1 THR 4 1HG THR 4 -6.215 9.600 -2.604 25 1HG2 THR 4 1HG2 THR 4 -6.352 11.392 0.613 26 2HG2 THR 4 2HG2 THR 4 -6.671 11.773 -1.080 27 3HG2 THR 4 3HG2 THR 4 -5.055 11.276 -0.577 28 H GLY 5 H GLY 5 -3.381 7.516 0.662 29 1HA GLY 5 2HA GLY 5 -4.053 6.831 3.150 30 2HA GLY 5 1HA GLY 5 -2.476 7.522 2.809 31 H SER 6 H SER 6 -5.365 7.869 4.508 32 HA SER 6 HA SER 6 -4.854 10.670 5.099 33 1HB SER 6 2HB SER 6 -7.248 9.118 4.783 34 2HB SER 6 1HB SER 6 -7.232 9.939 6.342 35 HG SER 6 HG SER 6 -6.771 11.207 3.843 36 H LYS 7 H LYS 7 -5.517 7.699 6.506 37 HA LYS 7 HA LYS 7 -5.198 8.463 9.225 38 1HB LYS 7 2HB LYS 7 -5.507 5.887 7.764 39 2HB LYS 7 1HB LYS 7 -4.839 5.824 9.390 40 1HG LYS 7 2HG LYS 7 -7.047 5.587 9.872 41 2HG LYS 7 1HG LYS 7 -6.923 7.345 9.934 42 1HD LYS 7 2HD LYS 7 -8.735 7.175 8.568 43 2HD LYS 7 1HD LYS 7 -7.467 7.078 7.343 44 1HE LYS 7 2HE LYS 7 -7.879 4.903 6.901 45 2HE LYS 7 1HE LYS 7 -8.241 4.522 8.583 46 1HZ LYS 7 1HZ LYS 7 -10.083 4.606 6.677 47 2HZ LYS 7 2HZ LYS 7 -10.171 6.207 7.213 48 3HZ LYS 7 3HZ LYS 7 -10.422 4.938 8.301 49 H ASP 8 H ASP 8 -3.206 6.252 7.276 50 HA ASP 8 HA ASP 8 -0.754 7.369 7.429 51 1HB ASP 8 2HB ASP 8 -1.582 6.508 10.096 52 2HB ASP 8 1HB ASP 8 -0.049 5.797 9.605 53 H CYS 9 H CYS 9 -2.063 5.552 5.797 54 HA CYS 9 HA CYS 9 -0.562 3.064 6.162 55 1HB CYS 9 2HB CYS 9 -3.144 3.183 5.799 56 2HB CYS 9 1HB CYS 9 -2.679 3.330 4.119 57 H TYR 10 H TYR 10 -1.793 4.814 3.362 58 HA TYR 10 HA TYR 10 0.011 3.932 1.502 59 1HB TYR 10 2HB TYR 10 -1.973 5.921 1.620 60 2HB TYR 10 1HB TYR 10 -0.521 6.734 1.046 61 HD1 TYR 10 1HD TYR 10 -0.930 7.095 -1.223 62 HD2 TYR 10 2HD TYR 10 -1.641 3.239 0.427 63 HE1 TYR 10 1HE TYR 10 -1.328 6.208 -3.482 64 HE2 TYR 10 2HE TYR 10 -2.040 2.341 -1.827 65 HH TYR 10 HH TYR 10 -2.655 4.201 -4.463 66 H ALA 11 H ALA 11 0.545 6.220 4.062 67 HA ALA 11 HA ALA 11 2.883 7.383 2.919 68 1HB ALA 11 1HB ALA 11 1.453 7.594 5.473 69 2HB ALA 11 2HB ALA 11 2.209 8.845 4.487 70 3HB ALA 11 3HB ALA 11 3.194 7.865 5.572 71 HA PRO 12 HA PRO 12 5.539 4.728 6.009 72 1HB PRO 12 2HB PRO 12 4.050 2.553 6.978 73 2HB PRO 12 1HB PRO 12 4.556 3.964 7.910 74 1HG PRO 12 2HG PRO 12 1.936 3.384 6.615 75 2HG PRO 12 1HG PRO 12 2.279 4.239 8.130 76 1HD PRO 12 2HD PRO 12 1.582 5.565 5.911 77 2HD PRO 12 1HD PRO 12 2.789 6.226 7.035 78 H CYS 13 H CYS 13 2.981 3.569 3.991 79 HA CYS 13 HA CYS 13 4.279 1.172 3.131 80 1HB CYS 13 2HB CYS 13 1.752 1.890 3.147 81 2HB CYS 13 1HB CYS 13 2.154 2.479 1.555 82 H ARG 14 H ARG 14 3.367 4.161 1.441 83 HA ARG 14 HA ARG 14 4.703 3.666 -0.898 84 1HB ARG 14 2HB ARG 14 4.180 6.272 0.479 85 2HB ARG 14 1HB ARG 14 4.947 6.169 -1.097 86 1HG ARG 14 2HG ARG 14 3.038 5.385 -2.134 87 2HG ARG 14 1HG ARG 14 2.322 4.836 -0.619 88 1HD ARG 14 2HD ARG 14 1.197 6.834 -1.455 89 2HD ARG 14 1HD ARG 14 2.005 7.152 0.079 90 HE ARG 14 HE ARG 14 3.293 8.699 -0.986 91 1HH1 ARG 14 1HH1 ARG 14 1.980 6.532 -3.384 92 2HH1 ARG 14 2HH1 ARG 14 2.608 7.432 -4.724 93 1HH2 ARG 14 1HH2 ARG 14 4.119 9.886 -2.746 94 2HH2 ARG 14 2HH2 ARG 14 3.823 9.337 -4.361 95 H LYS 15 H LYS 15 6.014 4.682 2.150 96 HA LYS 15 HA LYS 15 8.569 5.455 1.220 97 1HB LYS 15 2HB LYS 15 7.291 5.245 3.713 98 2HB LYS 15 1HB LYS 15 8.660 4.146 3.809 99 1HG LYS 15 2HG LYS 15 9.219 6.815 2.688 100 2HG LYS 15 1HG LYS 15 8.800 6.755 4.402 101 1HD LYS 15 2HD LYS 15 10.685 5.594 4.962 102 2HD LYS 15 1HD LYS 15 10.779 4.782 3.398 103 1HE LYS 15 2HE LYS 15 11.168 7.705 3.359 104 2HE LYS 15 1HE LYS 15 12.430 6.773 4.164 105 1HZ LYS 15 1HZ LYS 15 12.523 7.231 1.609 106 2HZ LYS 15 2HZ LYS 15 11.499 5.887 1.528 107 3HZ LYS 15 3HZ LYS 15 13.030 5.742 2.234 108 H GLN 16 H GLN 16 7.189 2.398 2.350 109 HA GLN 16 HA GLN 16 9.557 0.870 1.913 110 1HB GLN 16 2HB GLN 16 7.796 0.208 3.511 111 2HB GLN 16 1HB GLN 16 6.690 -0.051 2.170 112 1HG GLN 16 2HG GLN 16 8.764 -1.609 1.415 113 2HG GLN 16 1HG GLN 16 8.882 -1.727 3.170 114 1HE2 GLN 16 1HE2 GLN 16 7.636 -3.157 4.154 115 2HE2 GLN 16 2HE2 GLN 16 6.264 -3.948 3.463 116 H THR 17 H THR 17 6.400 0.731 0.237 117 HA THR 17 HA THR 17 7.446 -0.738 -1.949 118 HB THR 17 HB THR 17 5.103 -0.888 -1.184 119 HG1 THR 17 1HG THR 17 4.291 -1.112 -3.215 120 1HG2 THR 17 1HG2 THR 17 3.470 0.741 -1.755 121 2HG2 THR 17 2HG2 THR 17 4.674 1.748 -2.559 122 3HG2 THR 17 3HG2 THR 17 4.726 1.539 -0.808 123 H GLY 18 H GLY 18 6.336 2.609 -1.686 124 1HA GLY 18 2HA GLY 18 6.885 4.476 -2.894 125 2HA GLY 18 1HA GLY 18 8.270 3.606 -3.485 126 H CYS 19 H CYS 19 5.188 4.687 -4.099 127 HA CYS 19 HA CYS 19 5.080 4.929 -6.674 128 1HB CYS 19 2HB CYS 19 3.949 2.888 -7.579 129 2HB CYS 19 1HB CYS 19 5.676 2.826 -7.318 130 HA PRO 20 HA PRO 20 1.088 6.366 -5.463 131 1HB PRO 20 2HB PRO 20 0.365 6.236 -8.329 132 2HB PRO 20 1HB PRO 20 0.369 7.617 -7.227 133 1HG PRO 20 2HG PRO 20 2.233 7.359 -9.121 134 2HG PRO 20 1HG PRO 20 2.630 8.015 -7.521 135 1HD PRO 20 2HD PRO 20 3.137 5.281 -8.630 136 2HD PRO 20 1HD PRO 20 4.180 6.300 -7.615 137 H TYR 21 H TYR 21 1.504 3.390 -7.163 138 HA TYR 21 HA TYR 21 -1.197 2.661 -7.418 139 1HB TYR 21 2HB TYR 21 0.815 0.529 -7.083 140 2HB TYR 21 1HB TYR 21 -0.383 0.774 -8.328 141 HD1 TYR 21 1HD TYR 21 0.269 3.308 -9.518 142 HD2 TYR 21 2HD TYR 21 2.871 0.251 -8.109 143 HE1 TYR 21 1HE TYR 21 2.010 4.082 -11.074 144 HE2 TYR 21 2HE TYR 21 4.620 1.017 -9.660 145 HH TYR 21 HH TYR 21 4.763 3.855 -11.015 146 H GLY 22 H GLY 22 -2.181 0.793 -6.296 147 1HA GLY 22 2HA GLY 22 -1.408 -0.306 -3.900 148 2HA GLY 22 1HA GLY 22 -2.175 1.204 -3.464 149 H LYS 23 H LYS 23 -2.969 -1.709 -3.050 150 HA LYS 23 HA LYS 23 -5.548 -1.588 -4.441 151 1HB LYS 23 2HB LYS 23 -5.543 -4.079 -3.328 152 2HB LYS 23 1HB LYS 23 -5.052 -3.717 -4.974 153 1HG LYS 23 2HG LYS 23 -2.708 -3.437 -4.052 154 2HG LYS 23 1HG LYS 23 -3.321 -4.181 -2.574 155 1HD LYS 23 2HD LYS 23 -3.424 -5.407 -5.330 156 2HD LYS 23 1HD LYS 23 -2.267 -5.826 -4.064 157 1HE LYS 23 2HE LYS 23 -5.246 -6.038 -3.694 158 2HE LYS 23 1HE LYS 23 -4.264 -7.363 -4.317 159 1HZ LYS 23 1HZ LYS 23 -4.592 -7.579 -1.946 160 2HZ LYS 23 2HZ LYS 23 -3.932 -6.046 -1.676 161 3HZ LYS 23 3HZ LYS 23 -2.957 -7.292 -2.274 162 H CYS 24 H CYS 24 -5.014 0.054 -2.275 163 HA CYS 24 HA CYS 24 -5.981 -1.004 0.164 164 1HB CYS 24 2HB CYS 24 -5.677 1.130 1.019 165 2HB CYS 24 1HB CYS 24 -4.563 1.135 -0.337 166 H MET 25 H MET 25 -7.981 -1.344 0.854 167 HA MET 25 HA MET 25 -10.208 -0.288 -0.762 168 1HB MET 25 2HB MET 25 -9.666 -2.891 -0.348 169 2HB MET 25 1HB MET 25 -10.661 -2.581 1.067 170 1HG MET 25 2HG MET 25 -11.731 -1.571 -1.478 171 2HG MET 25 1HG MET 25 -11.625 -3.324 -1.333 172 1HE MET 25 1HE MET 25 -13.229 -4.538 1.256 173 2HE MET 25 2HE MET 25 -12.981 -4.673 -0.485 174 3HE MET 25 3HE MET 25 -14.589 -4.330 0.153 175 H ASN 26 H ASN 26 -11.941 0.661 0.239 176 HA ASN 26 HA ASN 26 -11.573 2.212 2.452 177 1HB ASN 26 2HB ASN 26 -14.208 1.947 2.684 178 2HB ASN 26 1HB ASN 26 -13.473 2.851 1.369 179 1HD2 ASN 26 1HD2 ASN 26 -13.852 2.231 -0.668 180 2HD2 ASN 26 2HD2 ASN 26 -14.724 0.812 -1.125 181 H ARG 27 H ARG 27 -11.337 1.890 4.521 182 HA ARG 27 HA ARG 27 -11.508 1.019 6.619 183 1HB ARG 27 2HB ARG 27 -13.923 0.317 5.510 184 2HB ARG 27 1HB ARG 27 -13.270 -1.242 5.996 185 1HG ARG 27 2HG ARG 27 -13.620 -0.837 8.158 186 2HG ARG 27 1HG ARG 27 -12.974 0.802 8.047 187 1HD ARG 27 2HD ARG 27 -15.028 1.711 7.480 188 2HD ARG 27 1HD ARG 27 -15.667 0.169 6.911 189 HE ARG 27 HE ARG 27 -15.872 1.209 9.529 190 1HH1 ARG 27 1HH1 ARG 27 -15.347 -1.788 7.821 191 2HH1 ARG 27 2HH1 ARG 27 -16.010 -2.769 9.084 192 1HH2 ARG 27 1HH2 ARG 27 -16.745 -0.079 11.192 193 2HH2 ARG 27 2HH2 ARG 27 -16.805 -1.799 10.998 194 H LYS 28 H LYS 28 -9.686 0.112 4.528 195 HA LYS 28 HA LYS 28 -8.173 -1.730 5.861 196 1HB LYS 28 2HB LYS 28 -10.417 -3.004 4.481 197 2HB LYS 28 1HB LYS 28 -8.858 -3.671 4.015 198 1HG LYS 28 2HG LYS 28 -9.360 -3.302 6.909 199 2HG LYS 28 1HG LYS 28 -10.250 -4.583 6.084 200 1HD LYS 28 2HD LYS 28 -7.929 -5.233 5.125 201 2HD LYS 28 1HD LYS 28 -7.295 -4.269 6.460 202 1HE LYS 28 2HE LYS 28 -8.800 -5.666 7.967 203 2HE LYS 28 1HE LYS 28 -8.998 -6.743 6.585 204 1HZ LYS 28 1HZ LYS 28 -6.379 -6.589 6.619 205 2HZ LYS 28 2HZ LYS 28 -7.217 -7.713 7.565 206 3HZ LYS 28 3HZ LYS 28 -6.651 -6.279 8.259 207 H CYS 29 H CYS 29 -6.638 -0.381 4.973 208 HA CYS 29 HA CYS 29 -6.302 0.000 2.199 209 1HB CYS 29 2HB CYS 29 -5.258 1.698 3.223 210 2HB CYS 29 1HB CYS 29 -4.977 0.773 4.674 211 H LYS 30 H LYS 30 -4.265 -0.596 1.050 212 HA LYS 30 HA LYS 30 -2.670 -2.764 1.782 213 1HB LYS 30 2HB LYS 30 -5.166 -3.706 1.377 214 2HB LYS 30 1HB LYS 30 -4.532 -3.821 -0.259 215 1HG LYS 30 2HG LYS 30 -2.693 -5.196 0.522 216 2HG LYS 30 1HG LYS 30 -3.261 -5.037 2.185 217 1HD LYS 30 2HD LYS 30 -5.154 -6.072 0.134 218 2HD LYS 30 1HD LYS 30 -3.873 -7.143 0.710 219 1HE LYS 30 2HE LYS 30 -5.392 -7.645 2.302 220 2HE LYS 30 1HE LYS 30 -4.762 -6.181 3.057 221 1HZ LYS 30 1HZ LYS 30 -6.945 -5.665 3.090 222 2HZ LYS 30 2HZ LYS 30 -7.332 -6.649 1.771 223 3HZ LYS 30 3HZ LYS 30 -6.634 -5.130 1.516 224 H CYS 31 H CYS 31 -1.105 -1.567 0.799 225 HA CYS 31 HA CYS 31 -0.913 -0.277 -1.585 226 1HB CYS 31 2HB CYS 31 0.998 -1.870 0.028 227 2HB CYS 31 1HB CYS 31 1.490 -1.428 -1.604 228 H ASN 32 H ASN 32 0.372 -0.920 -3.452 229 HA ASN 32 HA ASN 32 -0.941 -3.133 -4.798 230 1HB ASN 32 2HB ASN 32 -0.476 -0.664 -5.577 231 2HB ASN 32 1HB ASN 32 1.032 -1.365 -6.092 232 1HD2 ASN 32 1HD2 ASN 32 0.994 -1.801 -8.176 233 2HD2 ASN 32 2HD2 ASN 32 -0.343 -2.449 -9.057 234 H ARG 33 H ARG 33 0.585 -4.096 -6.573 235 HA ARG 33 HA ARG 33 2.766 -5.388 -5.131 236 1HB ARG 33 2HB ARG 33 1.161 -6.797 -6.385 237 2HB ARG 33 1HB ARG 33 1.626 -5.985 -7.873 238 1HG ARG 33 2HG ARG 33 2.695 -8.169 -7.643 239 2HG ARG 33 1HG ARG 33 3.876 -6.858 -7.683 240 1HD ARG 33 2HD ARG 33 2.910 -7.661 -5.013 241 2HD ARG 33 1HD ARG 33 3.906 -8.842 -5.864 242 HE ARG 33 HE ARG 33 4.770 -6.376 -4.697 243 1HH1 ARG 33 1HH1 ARG 33 5.430 -8.688 -7.227 244 2HH1 ARG 33 2HH1 ARG 33 7.109 -8.280 -7.333 245 1HH2 ARG 33 1HH2 ARG 33 6.979 -5.837 -4.836 246 2HH2 ARG 33 2HH2 ARG 33 7.989 -6.662 -5.977 247 H CYS 34 H CYS 34 4.099 -3.579 -5.071 248 HA CYS 34 HA CYS 34 5.156 -2.553 -7.574 249 1HB CYS 34 2HB CYS 34 4.605 -1.396 -5.183 250 2HB CYS 34 1HB CYS 34 6.347 -1.578 -5.111 Start of MODEL 13 1 1H VAL 1 1HT VAL 1 -13.791 3.518 -7.841 2 2H VAL 1 2HT VAL 1 -12.890 2.386 -8.765 3 3H VAL 1 3HT VAL 1 -12.503 4.056 -8.835 4 HA VAL 1 HA VAL 1 -12.264 2.294 -6.491 5 HB VAL 1 HB VAL 1 -9.828 2.766 -6.760 6 1HG1 VAL 1 1HG1 VAL 1 -11.312 0.807 -7.869 7 2HG1 VAL 1 2HG1 VAL 1 -9.554 0.883 -7.970 8 3HG1 VAL 1 3HG1 VAL 1 -10.540 1.471 -9.307 9 1HG2 VAL 1 1HG2 VAL 1 -10.283 4.799 -8.240 10 2HG2 VAL 1 2HG2 VAL 1 -10.473 3.644 -9.559 11 3HG2 VAL 1 3HG2 VAL 1 -8.940 3.750 -8.694 12 H SER 2 H SER 2 -11.786 3.275 -4.582 13 HA SER 2 HA SER 2 -11.079 6.067 -4.456 14 1HB SER 2 2HB SER 2 -13.158 6.311 -2.784 15 2HB SER 2 1HB SER 2 -13.284 6.685 -4.502 16 HG SER 2 HG SER 2 -14.961 5.332 -4.025 17 H CYS 3 H CYS 3 -9.653 6.250 -2.868 18 HA CYS 3 HA CYS 3 -9.992 4.626 -0.441 19 1HB CYS 3 2HB CYS 3 -7.514 4.885 -2.115 20 2HB CYS 3 1HB CYS 3 -7.433 4.460 -0.419 21 H THR 4 H THR 4 -8.055 5.349 1.056 22 HA THR 4 HA THR 4 -7.764 8.248 1.100 23 HB THR 4 HB THR 4 -9.835 7.836 2.351 24 HG1 THR 4 1HG THR 4 -7.612 8.518 3.972 25 1HG2 THR 4 1HG2 THR 4 -8.921 6.672 4.728 26 2HG2 THR 4 2HG2 THR 4 -8.400 5.610 3.420 27 3HG2 THR 4 3HG2 THR 4 -10.105 6.030 3.589 28 H GLY 5 H GLY 5 -5.633 7.179 0.510 29 1HA GLY 5 2HA GLY 5 -4.040 5.610 2.024 30 2HA GLY 5 1HA GLY 5 -3.423 7.006 1.158 31 H SER 6 H SER 6 -4.841 8.960 2.761 32 HA SER 6 HA SER 6 -4.391 10.278 4.566 33 1HB SER 6 2HB SER 6 -4.136 7.713 6.138 34 2HB SER 6 1HB SER 6 -4.725 9.278 6.696 35 HG SER 6 HG SER 6 -6.187 7.333 5.857 36 H LYS 7 H LYS 7 -2.788 9.740 6.870 37 HA LYS 7 HA LYS 7 -0.120 9.604 5.628 38 1HB LYS 7 2HB LYS 7 -0.765 11.139 8.137 39 2HB LYS 7 1HB LYS 7 0.663 11.268 7.120 40 1HG LYS 7 2HG LYS 7 -0.295 12.973 6.087 41 2HG LYS 7 1HG LYS 7 -1.503 11.856 5.451 42 1HD LYS 7 2HD LYS 7 -1.784 13.032 8.194 43 2HD LYS 7 1HD LYS 7 -2.301 13.930 6.765 44 1HE LYS 7 2HE LYS 7 -4.254 12.865 7.095 45 2HE LYS 7 1HE LYS 7 -3.442 11.520 6.292 46 1HZ LYS 7 1HZ LYS 7 -4.271 10.563 8.204 47 2HZ LYS 7 2HZ LYS 7 -3.962 11.920 9.164 48 3HZ LYS 7 3HZ LYS 7 -2.685 10.930 8.667 49 H ASP 8 H ASP 8 -1.968 7.605 7.152 50 HA ASP 8 HA ASP 8 0.125 6.702 9.002 51 1HB ASP 8 2HB ASP 8 -2.810 6.914 9.388 52 2HB ASP 8 1HB ASP 8 -2.000 5.523 10.104 53 H CYS 9 H CYS 9 -1.741 5.955 6.303 54 HA CYS 9 HA CYS 9 -1.088 3.112 6.551 55 1HB CYS 9 2HB CYS 9 -3.530 4.030 6.281 56 2HB CYS 9 1HB CYS 9 -3.080 4.036 4.589 57 H TYR 10 H TYR 10 -1.848 5.254 3.838 58 HA TYR 10 HA TYR 10 -0.221 3.940 2.000 59 1HB TYR 10 2HB TYR 10 -1.648 6.512 2.121 60 2HB TYR 10 1HB TYR 10 -0.271 6.489 1.025 61 HD1 TYR 10 1HD TYR 10 -1.388 6.593 -1.052 62 HD2 TYR 10 2HD TYR 10 -2.505 3.629 1.788 63 HE1 TYR 10 1HE TYR 10 -2.765 5.483 -2.761 64 HE2 TYR 10 2HE TYR 10 -3.884 2.510 0.087 65 HH TYR 10 HH TYR 10 -3.726 3.332 -3.240 66 H ALA 11 H ALA 11 0.639 6.052 4.564 67 HA ALA 11 HA ALA 11 3.050 7.064 3.427 68 1HB ALA 11 1HB ALA 11 1.780 7.114 6.095 69 2HB ALA 11 2HB ALA 11 2.466 8.426 5.137 70 3HB ALA 11 3HB ALA 11 3.528 7.346 6.040 71 HA PRO 12 HA PRO 12 5.395 3.850 6.250 72 1HB PRO 12 2HB PRO 12 3.718 1.751 7.021 73 2HB PRO 12 1HB PRO 12 4.288 3.054 8.065 74 1HG PRO 12 2HG PRO 12 1.686 2.772 6.633 75 2HG PRO 12 1HG PRO 12 2.020 3.450 8.237 76 1HD PRO 12 2HD PRO 12 1.521 5.033 6.141 77 2HD PRO 12 1HD PRO 12 2.728 5.486 7.364 78 H CYS 13 H CYS 13 2.824 3.106 4.037 79 HA CYS 13 HA CYS 13 4.159 0.732 3.046 80 1HB CYS 13 2HB CYS 13 1.518 1.555 3.169 81 2HB CYS 13 1HB CYS 13 1.929 1.581 1.465 82 H ARG 14 H ARG 14 3.192 3.930 1.820 83 HA ARG 14 HA ARG 14 4.113 3.705 -0.749 84 1HB ARG 14 2HB ARG 14 2.905 5.676 -0.078 85 2HB ARG 14 1HB ARG 14 4.160 6.115 1.073 86 1HG ARG 14 2HG ARG 14 5.505 7.000 -0.521 87 2HG ARG 14 1HG ARG 14 4.970 5.864 -1.761 88 1HD ARG 14 2HD ARG 14 3.876 7.653 -2.577 89 2HD ARG 14 1HD ARG 14 2.688 7.248 -1.339 90 HE ARG 14 HE ARG 14 3.279 9.141 -0.194 91 1HH1 ARG 14 1HH1 ARG 14 5.701 8.478 -2.617 92 2HH1 ARG 14 2HH1 ARG 14 6.526 9.983 -2.385 93 1HH2 ARG 14 1HH2 ARG 14 4.363 11.122 0.113 94 2HH2 ARG 14 2HH2 ARG 14 5.767 11.484 -0.835 95 H LYS 15 H LYS 15 5.932 4.248 2.196 96 HA LYS 15 HA LYS 15 8.398 4.927 1.042 97 1HB LYS 15 2HB LYS 15 7.434 4.060 3.638 98 2HB LYS 15 1HB LYS 15 8.989 3.328 3.270 99 1HG LYS 15 2HG LYS 15 8.501 6.278 3.005 100 2HG LYS 15 1HG LYS 15 9.024 5.530 4.517 101 1HD LYS 15 2HD LYS 15 10.573 4.781 2.126 102 2HD LYS 15 1HD LYS 15 10.714 6.467 2.625 103 1HE LYS 15 2HE LYS 15 10.969 5.234 5.010 104 2HE LYS 15 1HE LYS 15 11.659 4.006 3.948 105 1HZ LYS 15 1HZ LYS 15 13.060 6.022 4.949 106 2HZ LYS 15 2HZ LYS 15 12.556 6.734 3.500 107 3HZ LYS 15 3HZ LYS 15 13.431 5.287 3.471 108 H GLN 16 H GLN 16 6.974 1.793 1.875 109 HA GLN 16 HA GLN 16 9.136 0.243 0.860 110 1HB GLN 16 2HB GLN 16 7.093 -0.308 2.510 111 2HB GLN 16 1HB GLN 16 6.426 -0.949 1.014 112 1HG GLN 16 2HG GLN 16 9.199 -1.722 1.678 113 2HG GLN 16 1HG GLN 16 7.916 -2.394 2.683 114 1HE2 GLN 16 1HE2 GLN 16 5.991 -3.196 1.308 115 2HE2 GLN 16 2HE2 GLN 16 6.415 -4.186 -0.043 116 H THR 17 H THR 17 5.789 0.603 -0.357 117 HA THR 17 HA THR 17 6.384 -0.601 -2.851 118 HB THR 17 HB THR 17 4.144 -0.617 -1.788 119 HG1 THR 17 1HG THR 17 3.075 -0.494 -3.696 120 1HG2 THR 17 1HG2 THR 17 4.112 1.756 -1.063 121 2HG2 THR 17 2HG2 THR 17 2.665 1.237 -1.925 122 3HG2 THR 17 3HG2 THR 17 3.878 2.217 -2.749 123 H GLY 18 H GLY 18 5.714 2.755 -1.964 124 1HA GLY 18 2HA GLY 18 6.235 4.735 -2.989 125 2HA GLY 18 1HA GLY 18 7.590 3.898 -3.689 126 H CYS 19 H CYS 19 4.500 5.083 -4.124 127 HA CYS 19 HA CYS 19 4.395 5.759 -6.618 128 1HB CYS 19 2HB CYS 19 3.274 3.882 -7.858 129 2HB CYS 19 1HB CYS 19 5.008 3.838 -7.645 130 HA PRO 20 HA PRO 20 0.307 6.873 -5.517 131 1HB PRO 20 2HB PRO 20 -0.945 6.992 -7.949 132 2HB PRO 20 1HB PRO 20 0.162 8.230 -7.344 133 1HG PRO 20 2HG PRO 20 0.693 5.978 -9.243 134 2HG PRO 20 1HG PRO 20 1.235 7.665 -9.327 135 1HD PRO 20 2HD PRO 20 2.863 5.702 -8.485 136 2HD PRO 20 1HD PRO 20 2.927 7.330 -7.780 137 H TYR 21 H TYR 21 0.787 3.898 -7.240 138 HA TYR 21 HA TYR 21 -1.887 3.028 -7.288 139 1HB TYR 21 2HB TYR 21 0.247 1.002 -7.115 140 2HB TYR 21 1HB TYR 21 -1.045 1.191 -8.272 141 HD1 TYR 21 1HD TYR 21 2.253 0.853 -8.255 142 HD2 TYR 21 2HD TYR 21 -0.615 3.731 -9.516 143 HE1 TYR 21 1HE TYR 21 3.850 1.708 -9.918 144 HE2 TYR 21 2HE TYR 21 0.974 4.593 -11.183 145 HH TYR 21 HH TYR 21 4.283 3.695 -11.205 146 H GLY 22 H GLY 22 -2.680 1.116 -6.074 147 1HA GLY 22 2HA GLY 22 -1.511 0.430 -3.570 148 2HA GLY 22 1HA GLY 22 -2.826 1.550 -3.352 149 H LYS 23 H LYS 23 -2.610 -1.234 -2.452 150 HA LYS 23 HA LYS 23 -4.645 -2.547 -4.088 151 1HB LYS 23 2HB LYS 23 -2.383 -3.579 -3.013 152 2HB LYS 23 1HB LYS 23 -3.533 -3.953 -1.737 153 1HG LYS 23 2HG LYS 23 -4.938 -4.798 -3.855 154 2HG LYS 23 1HG LYS 23 -3.301 -5.050 -4.463 155 1HD LYS 23 2HD LYS 23 -4.199 -6.037 -1.766 156 2HD LYS 23 1HD LYS 23 -4.373 -6.999 -3.235 157 1HE LYS 23 2HE LYS 23 -2.104 -7.285 -3.480 158 2HE LYS 23 1HE LYS 23 -1.717 -5.810 -2.594 159 1HZ LYS 23 1HZ LYS 23 -1.266 -8.042 -1.471 160 2HZ LYS 23 2HZ LYS 23 -2.939 -8.124 -1.229 161 3HZ LYS 23 3HZ LYS 23 -2.050 -6.850 -0.561 162 H CYS 24 H CYS 24 -4.860 -0.289 -1.989 163 HA CYS 24 HA CYS 24 -6.264 -1.212 0.235 164 1HB CYS 24 2HB CYS 24 -5.729 0.964 0.575 165 2HB CYS 24 1HB CYS 24 -5.849 1.369 -1.128 166 H MET 25 H MET 25 -8.122 -2.206 0.385 167 HA MET 25 HA MET 25 -10.258 -1.626 -1.565 168 1HB MET 25 2HB MET 25 -8.981 -3.950 -1.678 169 2HB MET 25 1HB MET 25 -10.043 -4.339 -0.331 170 1HG MET 25 2HG MET 25 -11.828 -3.304 -2.058 171 2HG MET 25 1HG MET 25 -10.653 -3.978 -3.185 172 1HE MET 25 1HE MET 25 -9.604 -6.101 -2.886 173 2HE MET 25 2HE MET 25 -10.705 -7.461 -3.109 174 3HE MET 25 3HE MET 25 -9.943 -7.193 -1.542 175 H ASN 26 H ASN 26 -12.353 -1.568 -0.728 176 HA ASN 26 HA ASN 26 -13.892 -1.110 1.002 177 1HB ASN 26 2HB ASN 26 -12.246 -2.978 2.676 178 2HB ASN 26 1HB ASN 26 -13.978 -2.671 2.759 179 1HD2 ASN 26 1HD2 ASN 26 -12.446 -5.171 2.453 180 2HD2 ASN 26 2HD2 ASN 26 -13.069 -5.920 1.027 181 H ARG 27 H ARG 27 -13.695 -0.886 3.482 182 HA ARG 27 HA ARG 27 -12.300 1.550 3.868 183 1HB ARG 27 2HB ARG 27 -14.452 0.299 5.142 184 2HB ARG 27 1HB ARG 27 -13.182 0.353 6.358 185 1HG ARG 27 2HG ARG 27 -13.258 2.886 5.101 186 2HG ARG 27 1HG ARG 27 -14.916 2.431 5.491 187 1HD ARG 27 2HD ARG 27 -12.683 2.201 7.487 188 2HD ARG 27 1HD ARG 27 -13.594 3.695 7.271 189 HE ARG 27 HE ARG 27 -14.445 1.372 8.664 190 1HH1 ARG 27 1HH1 ARG 27 -15.613 3.966 6.643 191 2HH1 ARG 27 2HH1 ARG 27 -17.220 3.913 7.288 192 1HH2 ARG 27 1HH2 ARG 27 -16.557 1.302 9.515 193 2HH2 ARG 27 2HH2 ARG 27 -17.755 2.401 8.919 194 H LYS 28 H LYS 28 -11.135 -1.221 3.466 195 HA LYS 28 HA LYS 28 -9.098 -1.104 5.607 196 1HB LYS 28 2HB LYS 28 -10.603 -3.248 4.923 197 2HB LYS 28 1HB LYS 28 -9.216 -3.495 3.870 198 1HG LYS 28 2HG LYS 28 -8.822 -2.944 6.781 199 2HG LYS 28 1HG LYS 28 -9.233 -4.565 6.219 200 1HD LYS 28 2HD LYS 28 -7.267 -4.699 4.894 201 2HD LYS 28 1HD LYS 28 -6.933 -2.978 5.098 202 1HE LYS 28 2HE LYS 28 -6.703 -3.444 7.570 203 2HE LYS 28 1HE LYS 28 -6.746 -5.159 7.165 204 1HZ LYS 28 1HZ LYS 28 -4.781 -3.248 6.029 205 2HZ LYS 28 2HZ LYS 28 -4.770 -4.933 5.884 206 3HZ LYS 28 3HZ LYS 28 -4.478 -4.212 7.386 207 H CYS 29 H CYS 29 -7.494 0.176 4.848 208 HA CYS 29 HA CYS 29 -6.751 0.345 2.134 209 1HB CYS 29 2HB CYS 29 -6.112 2.259 3.115 210 2HB CYS 29 1HB CYS 29 -5.943 1.511 4.682 211 H LYS 30 H LYS 30 -4.514 -0.052 1.365 212 HA LYS 30 HA LYS 30 -2.683 -1.770 2.481 213 1HB LYS 30 2HB LYS 30 -5.060 -3.161 1.493 214 2HB LYS 30 1HB LYS 30 -3.567 -3.765 0.786 215 1HG LYS 30 2HG LYS 30 -2.847 -4.657 2.728 216 2HG LYS 30 1HG LYS 30 -3.555 -3.372 3.709 217 1HD LYS 30 2HD LYS 30 -5.508 -4.473 3.973 218 2HD LYS 30 1HD LYS 30 -5.485 -5.113 2.328 219 1HE LYS 30 2HE LYS 30 -3.764 -6.131 4.584 220 2HE LYS 30 1HE LYS 30 -5.292 -6.859 4.088 221 1HZ LYS 30 1HZ LYS 30 -4.369 -7.756 2.256 222 2HZ LYS 30 2HZ LYS 30 -2.935 -7.624 3.143 223 3HZ LYS 30 3HZ LYS 30 -3.324 -6.452 1.987 224 H CYS 31 H CYS 31 -1.446 -0.304 1.352 225 HA CYS 31 HA CYS 31 -1.334 0.521 -1.211 226 1HB CYS 31 2HB CYS 31 0.984 0.834 -0.974 227 2HB CYS 31 1HB CYS 31 0.337 0.933 0.657 228 H ASN 32 H ASN 32 0.074 -0.071 -2.963 229 HA ASN 32 HA ASN 32 -0.527 -2.766 -3.834 230 1HB ASN 32 2HB ASN 32 -0.744 -0.476 -5.084 231 2HB ASN 32 1HB ASN 32 0.927 -0.786 -5.473 232 1HD2 ASN 32 1HD2 ASN 32 1.150 -1.639 -7.409 233 2HD2 ASN 32 2HD2 ASN 32 0.088 -2.784 -8.146 234 H ARG 33 H ARG 33 1.232 -3.625 -5.417 235 HA ARG 33 HA ARG 33 3.755 -3.764 -3.907 236 1HB ARG 33 2HB ARG 33 2.152 -5.837 -4.567 237 2HB ARG 33 1HB ARG 33 3.168 -5.784 -6.001 238 1HG ARG 33 2HG ARG 33 4.227 -5.944 -3.189 239 2HG ARG 33 1HG ARG 33 3.964 -7.339 -4.238 240 1HD ARG 33 2HD ARG 33 5.683 -5.011 -5.052 241 2HD ARG 33 1HD ARG 33 6.323 -6.383 -4.148 242 HE ARG 33 HE ARG 33 5.656 -6.310 -6.930 243 1HH1 ARG 33 1HH1 ARG 33 5.923 -8.389 -4.140 244 2HH1 ARG 33 2HH1 ARG 33 6.179 -9.823 -5.077 245 1HH2 ARG 33 1HH2 ARG 33 5.994 -8.194 -8.164 246 2HH2 ARG 33 2HH2 ARG 33 6.221 -9.712 -7.361 247 H CYS 34 H CYS 34 4.755 -2.004 -4.818 248 HA CYS 34 HA CYS 34 4.912 -1.617 -7.633 249 1HB CYS 34 2HB CYS 34 5.294 -0.106 -5.367 250 2HB CYS 34 1HB CYS 34 6.876 -0.207 -6.096 Start of MODEL 14 1 1H VAL 1 1HT VAL 1 -3.408 3.753 -9.729 2 2H VAL 1 2HT VAL 1 -5.100 3.577 -9.959 3 3H VAL 1 3HT VAL 1 -4.268 2.550 -8.863 4 HA VAL 1 HA VAL 1 -3.786 4.353 -7.443 5 HB VAL 1 HB VAL 1 -4.805 6.577 -7.891 6 1HG1 VAL 1 1HG1 VAL 1 -3.102 7.323 -9.467 7 2HG1 VAL 1 2HG1 VAL 1 -2.822 5.657 -9.970 8 3HG1 VAL 1 3HG1 VAL 1 -2.432 6.159 -8.325 9 1HG2 VAL 1 1HG2 VAL 1 -5.152 5.619 -10.725 10 2HG2 VAL 1 2HG2 VAL 1 -5.643 7.165 -10.034 11 3HG2 VAL 1 3HG2 VAL 1 -6.471 5.682 -9.556 12 H SER 2 H SER 2 -5.127 4.537 -5.718 13 HA SER 2 HA SER 2 -7.966 4.654 -5.936 14 1HB SER 2 2HB SER 2 -6.912 2.086 -6.155 15 2HB SER 2 1HB SER 2 -7.413 2.202 -4.468 16 HG SER 2 HG SER 2 -9.465 2.463 -5.074 17 H CYS 3 H CYS 3 -8.926 5.244 -4.041 18 HA CYS 3 HA CYS 3 -8.984 6.381 -2.060 19 1HB CYS 3 2HB CYS 3 -7.976 4.915 -0.136 20 2HB CYS 3 1HB CYS 3 -9.420 4.398 -0.992 21 H THR 4 H THR 4 -7.628 6.861 0.028 22 HA THR 4 HA THR 4 -4.955 7.746 -0.841 23 HB THR 4 HB THR 4 -6.569 9.623 -0.787 24 HG1 THR 4 1HG THR 4 -4.468 9.585 1.097 25 1HG2 THR 4 1HG2 THR 4 -6.783 10.130 1.958 26 2HG2 THR 4 2HG2 THR 4 -7.336 8.473 1.715 27 3HG2 THR 4 3HG2 THR 4 -8.081 9.793 0.811 28 H GLY 5 H GLY 5 -5.922 5.401 0.765 29 1HA GLY 5 2HA GLY 5 -5.219 4.217 2.598 30 2HA GLY 5 1HA GLY 5 -3.851 5.319 2.649 31 H SER 6 H SER 6 -5.159 4.192 4.910 32 HA SER 6 HA SER 6 -7.026 5.897 6.112 33 1HB SER 6 2HB SER 6 -5.013 4.539 7.839 34 2HB SER 6 1HB SER 6 -6.769 4.599 7.990 35 HG SER 6 HG SER 6 -6.735 3.217 6.026 36 H LYS 7 H LYS 7 -5.947 6.619 8.573 37 HA LYS 7 HA LYS 7 -4.974 9.170 8.095 38 1HB LYS 7 2HB LYS 7 -4.453 9.272 10.468 39 2HB LYS 7 1HB LYS 7 -5.991 8.455 10.220 40 1HG LYS 7 2HG LYS 7 -4.205 6.376 10.212 41 2HG LYS 7 1HG LYS 7 -3.517 7.478 11.407 42 1HD LYS 7 2HD LYS 7 -4.945 6.454 12.816 43 2HD LYS 7 1HD LYS 7 -6.139 7.539 12.099 44 1HE LYS 7 2HE LYS 7 -6.174 5.504 10.318 45 2HE LYS 7 1HE LYS 7 -5.792 4.629 11.800 46 1HZ LYS 7 1HZ LYS 7 -7.818 5.031 12.663 47 2HZ LYS 7 2HZ LYS 7 -8.268 5.203 11.042 48 3HZ LYS 7 3HZ LYS 7 -7.946 6.574 11.979 49 H ASP 8 H ASP 8 -3.276 6.157 8.199 50 HA ASP 8 HA ASP 8 -0.887 7.351 7.207 51 1HB ASP 8 2HB ASP 8 -1.039 7.502 9.913 52 2HB ASP 8 1HB ASP 8 -0.256 5.939 9.718 53 H CYS 9 H CYS 9 -2.215 5.569 5.912 54 HA CYS 9 HA CYS 9 -1.055 2.941 6.472 55 1HB CYS 9 2HB CYS 9 -3.606 3.412 6.116 56 2HB CYS 9 1HB CYS 9 -3.151 3.319 4.429 57 H TYR 10 H TYR 10 -2.073 4.653 3.564 58 HA TYR 10 HA TYR 10 -0.469 3.395 1.732 59 1HB TYR 10 2HB TYR 10 -2.096 5.704 1.801 60 2HB TYR 10 1HB TYR 10 -0.559 6.206 1.112 61 HD1 TYR 10 1HD TYR 10 -3.693 4.677 0.466 62 HD2 TYR 10 2HD TYR 10 0.351 4.778 -0.847 63 HE1 TYR 10 1HE TYR 10 -4.386 3.773 -1.713 64 HE2 TYR 10 2HE TYR 10 -0.330 3.872 -3.030 65 HH TYR 10 HH TYR 10 -3.131 3.975 -4.269 66 H ALA 11 H ALA 11 0.445 5.743 4.128 67 HA ALA 11 HA ALA 11 2.890 6.546 2.923 68 1HB ALA 11 1HB ALA 11 1.581 6.946 5.539 69 2HB ALA 11 2HB ALA 11 2.293 8.117 4.429 70 3HB ALA 11 3HB ALA 11 3.331 7.157 5.483 71 HA PRO 12 HA PRO 12 5.102 3.758 6.345 72 1HB PRO 12 2HB PRO 12 3.349 1.579 6.840 73 2HB PRO 12 1HB PRO 12 3.865 2.822 7.983 74 1HG PRO 12 2HG PRO 12 1.375 2.639 6.379 75 2HG PRO 12 1HG PRO 12 1.640 3.366 7.969 76 1HD PRO 12 2HD PRO 12 1.306 4.888 5.798 77 2HD PRO 12 1HD PRO 12 2.464 5.347 7.066 78 H CYS 13 H CYS 13 2.876 2.613 3.892 79 HA CYS 13 HA CYS 13 4.704 0.466 3.169 80 1HB CYS 13 2HB CYS 13 1.951 0.694 3.113 81 2HB CYS 13 1HB CYS 13 2.447 0.695 1.432 82 H ARG 14 H ARG 14 3.161 3.281 1.617 83 HA ARG 14 HA ARG 14 4.183 3.049 -0.896 84 1HB ARG 14 2HB ARG 14 2.673 4.849 -0.384 85 2HB ARG 14 1HB ARG 14 3.823 5.565 0.738 86 1HG ARG 14 2HG ARG 14 5.346 5.969 -1.190 87 2HG ARG 14 1HG ARG 14 4.060 5.404 -2.259 88 1HD ARG 14 2HD ARG 14 2.616 7.186 -1.056 89 2HD ARG 14 1HD ARG 14 4.164 7.867 -0.558 90 HE ARG 14 HE ARG 14 4.175 7.413 -3.340 91 1HH1 ARG 14 1HH1 ARG 14 2.770 9.530 -0.947 92 2HH1 ARG 14 2HH1 ARG 14 2.605 10.862 -2.041 93 1HH2 ARG 14 1HH2 ARG 14 3.958 9.163 -4.780 94 2HH2 ARG 14 2HH2 ARG 14 3.278 10.654 -4.217 95 H LYS 15 H LYS 15 5.878 3.943 2.000 96 HA LYS 15 HA LYS 15 8.212 4.983 0.800 97 1HB LYS 15 2HB LYS 15 7.372 4.135 3.446 98 2HB LYS 15 1HB LYS 15 9.030 3.646 3.125 99 1HG LYS 15 2HG LYS 15 9.133 5.764 4.159 100 2HG LYS 15 1HG LYS 15 9.491 6.023 2.450 101 1HD LYS 15 2HD LYS 15 6.966 6.506 2.226 102 2HD LYS 15 1HD LYS 15 7.000 6.693 3.981 103 1HE LYS 15 2HE LYS 15 9.121 8.213 3.284 104 2HE LYS 15 1HE LYS 15 8.097 8.425 1.863 105 1HZ LYS 15 1HZ LYS 15 7.785 10.058 3.745 106 2HZ LYS 15 2HZ LYS 15 7.067 8.796 4.612 107 3HZ LYS 15 3HZ LYS 15 6.380 9.319 3.158 108 H GLN 16 H GLN 16 7.393 1.724 1.937 109 HA GLN 16 HA GLN 16 9.765 0.512 0.938 110 1HB GLN 16 2HB GLN 16 7.205 -0.448 2.120 111 2HB GLN 16 1HB GLN 16 8.190 -1.603 1.232 112 1HG GLN 16 2HG GLN 16 9.073 0.034 3.599 113 2HG GLN 16 1HG GLN 16 8.675 -1.684 3.606 114 1HE2 GLN 16 1HE2 GLN 16 9.912 -2.737 1.542 115 2HE2 GLN 16 2HE2 GLN 16 11.621 -2.487 1.612 116 H THR 17 H THR 17 6.364 0.327 -0.172 117 HA THR 17 HA THR 17 7.020 -1.106 -2.531 118 HB THR 17 HB THR 17 4.831 -1.394 -1.694 119 HG1 THR 17 1HG THR 17 3.862 -1.236 -3.553 120 1HG2 THR 17 1HG2 THR 17 3.528 1.070 -2.101 121 2HG2 THR 17 2HG2 THR 17 4.940 1.373 -1.090 122 3HG2 THR 17 3HG2 THR 17 3.744 0.176 -0.596 123 H GLY 18 H GLY 18 7.404 2.168 -1.766 124 1HA GLY 18 2HA GLY 18 8.060 3.943 -3.082 125 2HA GLY 18 1HA GLY 18 8.310 2.790 -4.366 126 H CYS 19 H CYS 19 6.949 2.688 -5.944 127 HA CYS 19 HA CYS 19 5.500 4.460 -7.065 128 1HB CYS 19 2HB CYS 19 3.854 2.753 -7.852 129 2HB CYS 19 1HB CYS 19 5.558 2.460 -8.130 130 HA PRO 20 HA PRO 20 2.246 5.994 -4.462 131 1HB PRO 20 2HB PRO 20 0.863 6.802 -6.930 132 2HB PRO 20 1HB PRO 20 1.479 7.796 -5.609 133 1HG PRO 20 2HG PRO 20 2.666 7.759 -8.014 134 2HG PRO 20 1HG PRO 20 3.599 7.920 -6.514 135 1HD PRO 20 2HD PRO 20 3.179 5.505 -8.236 136 2HD PRO 20 1HD PRO 20 4.656 6.074 -7.430 137 H TYR 21 H TYR 21 1.788 3.451 -6.676 138 HA TYR 21 HA TYR 21 -1.010 3.220 -6.580 139 1HB TYR 21 2HB TYR 21 0.645 0.784 -6.915 140 2HB TYR 21 1HB TYR 21 -0.706 1.376 -7.844 141 HD1 TYR 21 1HD TYR 21 2.275 0.321 -8.520 142 HD2 TYR 21 2HD TYR 21 0.232 4.050 -8.658 143 HE1 TYR 21 1HE TYR 21 3.798 1.084 -10.294 144 HE2 TYR 21 2HE TYR 21 1.751 4.824 -10.431 145 HH TYR 21 HH TYR 21 3.979 4.337 -11.290 146 H GLY 22 H GLY 22 -2.127 1.319 -5.618 147 1HA GLY 22 2HA GLY 22 -1.016 0.043 -3.310 148 2HA GLY 22 1HA GLY 22 -2.105 1.340 -2.872 149 H LYS 23 H LYS 23 -2.418 -1.521 -2.365 150 HA LYS 23 HA LYS 23 -4.632 -2.233 -4.123 151 1HB LYS 23 2HB LYS 23 -2.657 -3.774 -3.017 152 2HB LYS 23 1HB LYS 23 -3.992 -4.059 -1.908 153 1HG LYS 23 2HG LYS 23 -5.319 -4.423 -4.163 154 2HG LYS 23 1HG LYS 23 -3.703 -4.797 -4.765 155 1HD LYS 23 2HD LYS 23 -4.703 -6.045 -2.235 156 2HD LYS 23 1HD LYS 23 -5.175 -6.705 -3.801 157 1HE LYS 23 2HE LYS 23 -3.293 -7.924 -3.537 158 2HE LYS 23 1HE LYS 23 -2.528 -6.473 -4.183 159 1HZ LYS 23 1HZ LYS 23 -1.651 -5.931 -2.183 160 2HZ LYS 23 2HZ LYS 23 -1.746 -7.602 -1.940 161 3HZ LYS 23 3HZ LYS 23 -2.935 -6.586 -1.296 162 H CYS 24 H CYS 24 -4.400 -0.220 -1.721 163 HA CYS 24 HA CYS 24 -6.096 -0.999 0.326 164 1HB CYS 24 2HB CYS 24 -5.138 0.969 0.901 165 2HB CYS 24 1HB CYS 24 -5.073 1.540 -0.757 166 H MET 25 H MET 25 -8.214 -1.219 0.565 167 HA MET 25 HA MET 25 -10.109 -0.018 -1.276 168 1HB MET 25 2HB MET 25 -9.430 -2.913 -1.295 169 2HB MET 25 1HB MET 25 -11.136 -2.497 -1.380 170 1HG MET 25 2HG MET 25 -10.977 -1.686 -3.472 171 2HG MET 25 1HG MET 25 -9.367 -1.016 -3.207 172 1HE MET 25 1HE MET 25 -11.220 -4.585 -3.547 173 2HE MET 25 2HE MET 25 -10.134 -4.588 -2.158 174 3HE MET 25 3HE MET 25 -9.761 -5.576 -3.571 175 H ASN 26 H ASN 26 -12.187 0.116 -0.406 176 HA ASN 26 HA ASN 26 -13.665 0.288 1.425 177 1HB ASN 26 2HB ASN 26 -12.409 -2.258 2.397 178 2HB ASN 26 1HB ASN 26 -14.065 -1.699 2.618 179 1HD2 ASN 26 1HD2 ASN 26 -15.570 -2.111 1.077 180 2HD2 ASN 26 2HD2 ASN 26 -15.269 -3.077 -0.325 181 H ARG 27 H ARG 27 -13.507 -0.298 3.846 182 HA ARG 27 HA ARG 27 -11.715 1.616 4.927 183 1HB ARG 27 2HB ARG 27 -14.003 0.113 5.907 184 2HB ARG 27 1HB ARG 27 -12.717 0.199 7.105 185 1HG ARG 27 2HG ARG 27 -12.903 2.784 6.134 186 2HG ARG 27 1HG ARG 27 -14.577 2.234 6.229 187 1HD ARG 27 2HD ARG 27 -13.844 1.367 8.586 188 2HD ARG 27 1HD ARG 27 -12.553 2.553 8.401 189 HE ARG 27 HE ARG 27 -15.167 3.620 7.878 190 1HH1 ARG 27 1HH1 ARG 27 -12.827 2.898 10.366 191 2HH1 ARG 27 2HH1 ARG 27 -13.449 4.079 11.468 192 1HH2 ARG 27 1HH2 ARG 27 -15.986 5.173 9.328 193 2HH2 ARG 27 2HH2 ARG 27 -15.243 5.371 10.880 194 H LYS 28 H LYS 28 -11.048 -1.058 3.668 195 HA LYS 28 HA LYS 28 -9.031 -1.886 5.670 196 1HB LYS 28 2HB LYS 28 -10.964 -3.503 4.752 197 2HB LYS 28 1HB LYS 28 -9.772 -3.757 3.484 198 1HG LYS 28 2HG LYS 28 -8.950 -3.970 6.343 199 2HG LYS 28 1HG LYS 28 -9.815 -5.302 5.573 200 1HD LYS 28 2HD LYS 28 -8.013 -4.953 3.690 201 2HD LYS 28 1HD LYS 28 -7.097 -4.216 5.005 202 1HE LYS 28 2HE LYS 28 -6.482 -6.513 4.916 203 2HE LYS 28 1HE LYS 28 -7.506 -6.299 6.336 204 1HZ LYS 28 1HZ LYS 28 -8.016 -7.781 3.885 205 2HZ LYS 28 2HZ LYS 28 -9.335 -6.946 4.535 206 3HZ LYS 28 3HZ LYS 28 -8.521 -8.099 5.468 207 H CYS 29 H CYS 29 -7.412 -0.529 4.986 208 HA CYS 29 HA CYS 29 -6.664 -0.202 2.285 209 1HB CYS 29 2HB CYS 29 -5.886 1.573 3.421 210 2HB CYS 29 1HB CYS 29 -5.718 0.676 4.910 211 H LYS 30 H LYS 30 -4.483 -0.721 1.461 212 HA LYS 30 HA LYS 30 -2.849 -2.718 2.487 213 1HB LYS 30 2HB LYS 30 -3.523 -4.567 0.824 214 2HB LYS 30 1HB LYS 30 -4.472 -4.379 2.291 215 1HG LYS 30 2HG LYS 30 -5.577 -2.749 0.218 216 2HG LYS 30 1HG LYS 30 -5.376 -4.401 -0.364 217 1HD LYS 30 2HD LYS 30 -6.530 -4.039 2.345 218 2HD LYS 30 1HD LYS 30 -7.543 -3.602 0.968 219 1HE LYS 30 2HE LYS 30 -6.135 -6.251 1.218 220 2HE LYS 30 1HE LYS 30 -7.782 -5.972 1.781 221 1HZ LYS 30 1HZ LYS 30 -8.572 -5.777 -0.339 222 2HZ LYS 30 2HZ LYS 30 -7.331 -6.896 -0.598 223 3HZ LYS 30 3HZ LYS 30 -7.092 -5.267 -0.983 224 H CYS 31 H CYS 31 -1.328 -1.351 1.670 225 HA CYS 31 HA CYS 31 -0.917 -0.118 -0.686 226 1HB CYS 31 2HB CYS 31 1.553 -0.846 -0.400 227 2HB CYS 31 1HB CYS 31 0.792 0.120 0.859 228 H ASN 32 H ASN 32 0.540 -0.606 -2.435 229 HA ASN 32 HA ASN 32 -0.405 -2.912 -3.886 230 1HB ASN 32 2HB ASN 32 0.011 -0.443 -4.659 231 2HB ASN 32 1HB ASN 32 1.628 -1.038 -4.924 232 1HD2 ASN 32 1HD2 ASN 32 -1.713 -2.039 -5.539 233 2HD2 ASN 32 2HD2 ASN 32 -1.436 -2.585 -7.155 234 H ARG 33 H ARG 33 1.356 -3.831 -5.437 235 HA ARG 33 HA ARG 33 3.667 -4.661 -3.806 236 1HB ARG 33 2HB ARG 33 1.950 -6.457 -4.242 237 2HB ARG 33 1HB ARG 33 2.315 -6.305 -5.954 238 1HG ARG 33 2HG ARG 33 3.513 -8.176 -5.073 239 2HG ARG 33 1HG ARG 33 4.669 -6.898 -5.457 240 1HD ARG 33 2HD ARG 33 5.217 -6.555 -3.287 241 2HD ARG 33 1HD ARG 33 3.585 -6.896 -2.711 242 HE ARG 33 HE ARG 33 4.220 -9.057 -2.351 243 1HH1 ARG 33 1HH1 ARG 33 6.488 -7.600 -4.567 244 2HH1 ARG 33 2HH1 ARG 33 7.550 -8.968 -4.576 245 1HH2 ARG 33 1HH2 ARG 33 5.614 -10.858 -2.361 246 2HH2 ARG 33 2HH2 ARG 33 7.054 -10.818 -3.324 247 H CYS 34 H CYS 34 4.994 -3.062 -4.606 248 HA CYS 34 HA CYS 34 5.356 -2.658 -7.411 249 1HB CYS 34 2HB CYS 34 5.821 -1.218 -5.130 250 2HB CYS 34 1HB CYS 34 7.427 -1.604 -5.707 Start of MODEL 15 1 1H VAL 1 1HT VAL 1 -9.532 0.682 -6.896 2 2H VAL 1 2HT VAL 1 -10.288 -0.476 -5.880 3 3H VAL 1 3HT VAL 1 -8.591 -0.236 -5.795 4 HA VAL 1 HA VAL 1 -10.529 1.893 -5.240 5 HB VAL 1 HB VAL 1 -9.978 1.383 -2.807 6 1HG1 VAL 1 1HG1 VAL 1 -12.154 0.912 -4.016 7 2HG1 VAL 1 2HG1 VAL 1 -11.848 -0.038 -2.563 8 3HG1 VAL 1 3HG1 VAL 1 -11.606 -0.757 -4.155 9 1HG2 VAL 1 1HG2 VAL 1 -9.325 -0.860 -2.232 10 2HG2 VAL 1 2HG2 VAL 1 -8.116 -0.178 -3.321 11 3HG2 VAL 1 3HG2 VAL 1 -9.302 -1.333 -3.932 12 H SER 2 H SER 2 -9.571 3.760 -4.591 13 HA SER 2 HA SER 2 -6.632 3.806 -4.669 14 1HB SER 2 2HB SER 2 -7.059 6.338 -5.003 15 2HB SER 2 1HB SER 2 -7.407 5.253 -6.348 16 HG SER 2 HG SER 2 -9.142 6.702 -4.728 17 H CYS 3 H CYS 3 -5.455 4.652 -3.014 18 HA CYS 3 HA CYS 3 -6.817 4.960 -0.479 19 1HB CYS 3 2HB CYS 3 -3.863 5.272 -1.000 20 2HB CYS 3 1HB CYS 3 -4.656 4.892 0.519 21 H THR 4 H THR 4 -5.884 6.756 1.001 22 HA THR 4 HA THR 4 -5.325 9.251 -0.357 23 HB THR 4 HB THR 4 -7.720 9.255 -0.531 24 HG1 THR 4 1HG THR 4 -7.036 10.858 1.702 25 1HG2 THR 4 1HG2 THR 4 -8.719 9.409 2.046 26 2HG2 THR 4 2HG2 THR 4 -7.639 8.015 2.070 27 3HG2 THR 4 3HG2 THR 4 -8.952 8.095 0.895 28 H GLY 5 H GLY 5 -3.515 8.207 1.172 29 1HA GLY 5 2HA GLY 5 -2.187 8.541 3.020 30 2HA GLY 5 1HA GLY 5 -3.040 10.065 3.206 31 H SER 6 H SER 6 -4.902 10.144 4.550 32 HA SER 6 HA SER 6 -6.140 9.654 6.388 33 1HB SER 6 2HB SER 6 -7.257 7.801 5.783 34 2HB SER 6 1HB SER 6 -5.852 7.110 4.996 35 HG SER 6 HG SER 6 -6.802 5.984 6.886 36 H LYS 7 H LYS 7 -5.365 6.999 7.809 37 HA LYS 7 HA LYS 7 -4.060 8.069 9.999 38 1HB LYS 7 2HB LYS 7 -3.670 5.794 10.731 39 2HB LYS 7 1HB LYS 7 -5.261 5.916 9.993 40 1HG LYS 7 2HG LYS 7 -3.391 5.207 7.972 41 2HG LYS 7 1HG LYS 7 -3.150 4.143 9.359 42 1HD LYS 7 2HD LYS 7 -5.793 4.672 8.000 43 2HD LYS 7 1HD LYS 7 -4.791 3.239 7.761 44 1HE LYS 7 2HE LYS 7 -5.419 3.870 10.561 45 2HE LYS 7 1HE LYS 7 -6.807 3.427 9.568 46 1HZ LYS 7 1HZ LYS 7 -6.166 1.364 10.154 47 2HZ LYS 7 2HZ LYS 7 -4.559 1.805 10.444 48 3HZ LYS 7 3HZ LYS 7 -5.088 1.535 8.860 49 H ASP 8 H ASP 8 -2.693 7.161 6.982 50 HA ASP 8 HA ASP 8 -0.565 7.843 6.272 51 1HB ASP 8 2HB ASP 8 -0.218 8.860 8.630 52 2HB ASP 8 1HB ASP 8 0.572 7.333 9.006 53 H CYS 9 H CYS 9 -1.737 5.450 5.952 54 HA CYS 9 HA CYS 9 0.110 3.334 6.690 55 1HB CYS 9 2HB CYS 9 -2.421 3.095 6.627 56 2HB CYS 9 1HB CYS 9 -2.262 3.124 4.894 57 H TYR 10 H TYR 10 -1.454 4.283 3.736 58 HA TYR 10 HA TYR 10 0.193 3.034 1.914 59 1HB TYR 10 2HB TYR 10 -0.797 5.651 1.003 60 2HB TYR 10 1HB TYR 10 -1.091 4.044 0.348 61 HD1 TYR 10 1HD TYR 10 -2.578 6.780 1.949 62 HD2 TYR 10 2HD TYR 10 -2.665 2.530 1.863 63 HE1 TYR 10 1HE TYR 10 -4.835 6.811 2.929 64 HE2 TYR 10 2HE TYR 10 -4.921 2.550 2.841 65 HH TYR 10 HH TYR 10 -6.351 3.990 4.140 66 H ALA 11 H ALA 11 0.856 5.873 3.779 67 HA ALA 11 HA ALA 11 2.860 6.926 2.039 68 1HB ALA 11 1HB ALA 11 3.513 7.978 4.457 69 2HB ALA 11 2HB ALA 11 1.809 7.587 4.696 70 3HB ALA 11 3HB ALA 11 2.295 8.643 3.369 71 HA PRO 12 HA PRO 12 6.226 5.200 5.113 72 1HB PRO 12 2HB PRO 12 5.091 3.175 6.715 73 2HB PRO 12 1HB PRO 12 5.637 4.761 7.263 74 1HG PRO 12 2HG PRO 12 2.892 3.827 6.598 75 2HG PRO 12 1HG PRO 12 3.419 5.003 7.816 76 1HD PRO 12 2HD PRO 12 2.255 5.788 5.536 77 2HD PRO 12 1HD PRO 12 3.579 6.725 6.263 78 H CYS 13 H CYS 13 3.491 3.420 3.937 79 HA CYS 13 HA CYS 13 4.845 1.001 3.291 80 1HB CYS 13 2HB CYS 13 2.327 1.461 3.621 81 2HB CYS 13 1HB CYS 13 2.379 1.993 1.965 82 H ARG 14 H ARG 14 3.397 3.495 1.271 83 HA ARG 14 HA ARG 14 4.335 2.738 -1.167 84 1HB ARG 14 2HB ARG 14 2.839 4.624 -0.958 85 2HB ARG 14 1HB ARG 14 4.059 5.552 -0.097 86 1HG ARG 14 2HG ARG 14 5.451 5.550 -2.134 87 2HG ARG 14 1HG ARG 14 4.157 4.704 -2.984 88 1HD ARG 14 2HD ARG 14 3.733 6.896 -3.557 89 2HD ARG 14 1HD ARG 14 2.689 6.688 -2.152 90 HE ARG 14 HE ARG 14 3.981 8.196 -1.007 91 1HH1 ARG 14 1HH1 ARG 14 5.683 7.194 -3.884 92 2HH1 ARG 14 2HH1 ARG 14 6.934 8.378 -3.707 93 1HH2 ARG 14 1HH2 ARG 14 5.625 9.754 -0.774 94 2HH2 ARG 14 2HH2 ARG 14 6.902 9.831 -1.942 95 H LYS 15 H LYS 15 6.101 4.287 1.394 96 HA LYS 15 HA LYS 15 8.423 4.960 -0.056 97 1HB LYS 15 2HB LYS 15 7.632 4.769 2.730 98 2HB LYS 15 1HB LYS 15 9.271 4.174 2.502 99 1HG LYS 15 2HG LYS 15 9.311 6.520 3.051 100 2HG LYS 15 1HG LYS 15 9.864 6.284 1.391 101 1HD LYS 15 2HD LYS 15 8.426 8.033 1.074 102 2HD LYS 15 1HD LYS 15 7.306 6.686 0.859 103 1HE LYS 15 2HE LYS 15 6.331 6.997 2.936 104 2HE LYS 15 1HE LYS 15 7.730 7.857 3.577 105 1HZ LYS 15 1HZ LYS 15 7.075 9.810 2.643 106 2HZ LYS 15 2HZ LYS 15 5.553 9.117 2.891 107 3HZ LYS 15 3HZ LYS 15 6.261 9.074 1.356 108 H GLN 16 H GLN 16 7.552 2.055 1.812 109 HA GLN 16 HA GLN 16 9.884 0.593 1.056 110 1HB GLN 16 2HB GLN 16 8.142 0.293 3.046 111 2HB GLN 16 1HB GLN 16 7.408 -0.823 1.903 112 1HG GLN 16 2HG GLN 16 9.050 -2.338 2.118 113 2HG GLN 16 1HG GLN 16 10.311 -1.112 2.256 114 1HE2 GLN 16 1HE2 GLN 16 7.415 -1.967 4.128 115 2HE2 GLN 16 2HE2 GLN 16 8.220 -2.058 5.653 116 H THR 17 H THR 17 6.453 0.194 0.144 117 HA THR 17 HA THR 17 6.985 -1.718 -1.869 118 HB THR 17 HB THR 17 4.844 -1.501 -0.622 119 HG1 THR 17 1HG THR 17 4.272 -2.644 -2.271 120 1HG2 THR 17 1HG2 THR 17 4.175 0.672 -0.490 121 2HG2 THR 17 2HG2 THR 17 3.206 0.121 -1.856 122 3HG2 THR 17 3HG2 THR 17 4.680 1.047 -2.137 123 H GLY 18 H GLY 18 7.572 1.583 -1.928 124 1HA GLY 18 2HA GLY 18 8.104 2.996 -3.677 125 2HA GLY 18 1HA GLY 18 8.173 1.568 -4.686 126 H CYS 19 H CYS 19 6.772 1.470 -6.251 127 HA CYS 19 HA CYS 19 5.105 2.958 -7.396 128 1HB CYS 19 2HB CYS 19 4.200 0.409 -6.566 129 2HB CYS 19 1HB CYS 19 3.469 1.385 -7.781 130 HA PRO 20 HA PRO 20 2.814 5.289 -4.315 131 1HB PRO 20 2HB PRO 20 1.437 6.090 -6.843 132 2HB PRO 20 1HB PRO 20 1.989 7.092 -5.495 133 1HG PRO 20 2HG PRO 20 3.393 6.992 -7.741 134 2HG PRO 20 1HG PRO 20 4.212 7.004 -6.168 135 1HD PRO 20 2HD PRO 20 3.792 4.749 -8.070 136 2HD PRO 20 1HD PRO 20 5.155 5.070 -6.983 137 H TYR 21 H TYR 21 1.456 3.077 -6.669 138 HA TYR 21 HA TYR 21 -1.216 3.274 -5.829 139 1HB TYR 21 2HB TYR 21 -0.160 0.749 -6.988 140 2HB TYR 21 1HB TYR 21 -1.612 1.641 -7.349 141 HD1 TYR 21 1HD TYR 21 1.672 0.908 -8.443 142 HD2 TYR 21 2HD TYR 21 -1.368 3.881 -8.597 143 HE1 TYR 21 1HE TYR 21 2.731 1.884 -10.438 144 HE2 TYR 21 2HE TYR 21 -0.318 4.861 -10.593 145 HH TYR 21 HH TYR 21 1.345 3.751 -12.530 146 H GLY 22 H GLY 22 -2.419 1.392 -4.934 147 1HA GLY 22 2HA GLY 22 -1.016 -0.353 -3.105 148 2HA GLY 22 1HA GLY 22 -1.946 0.905 -2.322 149 H LYS 23 H LYS 23 -2.419 -1.962 -2.107 150 HA LYS 23 HA LYS 23 -4.880 -2.292 -3.644 151 1HB LYS 23 2HB LYS 23 -2.907 -4.100 -2.931 152 2HB LYS 23 1HB LYS 23 -4.208 -4.460 -1.805 153 1HG LYS 23 2HG LYS 23 -5.751 -4.741 -3.684 154 2HG LYS 23 1HG LYS 23 -4.435 -4.395 -4.808 155 1HD LYS 23 2HD LYS 23 -3.219 -6.352 -3.999 156 2HD LYS 23 1HD LYS 23 -4.511 -6.688 -2.847 157 1HE LYS 23 2HE LYS 23 -5.129 -8.094 -4.535 158 2HE LYS 23 1HE LYS 23 -5.994 -6.640 -5.030 159 1HZ LYS 23 1HZ LYS 23 -4.695 -7.800 -6.814 160 2HZ LYS 23 2HZ LYS 23 -3.283 -7.311 -6.021 161 3HZ LYS 23 3HZ LYS 23 -4.354 -6.152 -6.632 162 H CYS 24 H CYS 24 -4.115 -0.677 -1.061 163 HA CYS 24 HA CYS 24 -5.569 -1.517 1.119 164 1HB CYS 24 2HB CYS 24 -5.116 0.549 1.968 165 2HB CYS 24 1HB CYS 24 -4.021 0.593 0.596 166 H MET 25 H MET 25 -7.670 -1.669 1.619 167 HA MET 25 HA MET 25 -9.626 -0.542 -0.281 168 1HB MET 25 2HB MET 25 -9.411 -3.092 -0.084 169 2HB MET 25 1HB MET 25 -10.132 -2.913 1.509 170 1HG MET 25 2HG MET 25 -11.992 -1.628 0.247 171 2HG MET 25 1HG MET 25 -11.342 -2.436 -1.178 172 1HE MET 25 1HE MET 25 -13.065 -3.829 -1.965 173 2HE MET 25 2HE MET 25 -13.489 -5.386 -1.254 174 3HE MET 25 3HE MET 25 -11.824 -5.059 -1.732 175 H ASN 26 H ASN 26 -11.391 0.537 0.510 176 HA ASN 26 HA ASN 26 -11.253 2.159 2.650 177 1HB ASN 26 2HB ASN 26 -13.957 0.996 2.319 178 2HB ASN 26 1HB ASN 26 -13.456 2.678 2.360 179 1HD2 ASN 26 1HD2 ASN 26 -12.407 3.532 0.437 180 2HD2 ASN 26 2HD2 ASN 26 -12.873 2.922 -1.110 181 H ARG 27 H ARG 27 -10.996 1.918 4.736 182 HA ARG 27 HA ARG 27 -11.229 1.174 6.882 183 1HB ARG 27 2HB ARG 27 -13.614 0.396 5.759 184 2HB ARG 27 1HB ARG 27 -12.961 -1.132 6.335 185 1HG ARG 27 2HG ARG 27 -13.358 -0.622 8.468 186 2HG ARG 27 1HG ARG 27 -12.723 1.014 8.287 187 1HD ARG 27 2HD ARG 27 -14.996 1.281 8.835 188 2HD ARG 27 1HD ARG 27 -14.894 1.568 7.098 189 HE ARG 27 HE ARG 27 -15.521 -1.151 7.786 190 1HH1 ARG 27 1HH1 ARG 27 -16.838 2.027 7.198 191 2HH1 ARG 27 2HH1 ARG 27 -18.407 1.434 6.769 192 1HH2 ARG 27 1HH2 ARG 27 -17.584 -1.932 7.221 193 2HH2 ARG 27 2HH2 ARG 27 -18.832 -0.814 6.782 194 H LYS 28 H LYS 28 -9.304 0.199 4.941 195 HA LYS 28 HA LYS 28 -8.024 -1.767 6.470 196 1HB LYS 28 2HB LYS 28 -10.061 -2.968 5.196 197 2HB LYS 28 1HB LYS 28 -8.841 -3.075 3.934 198 1HG LYS 28 2HG LYS 28 -8.004 -3.891 6.645 199 2HG LYS 28 1HG LYS 28 -9.167 -4.933 5.824 200 1HD LYS 28 2HD LYS 28 -6.779 -4.007 4.309 201 2HD LYS 28 1HD LYS 28 -6.562 -5.265 5.528 202 1HE LYS 28 2HE LYS 28 -8.727 -5.481 3.469 203 2HE LYS 28 1HE LYS 28 -7.073 -5.950 3.084 204 1HZ LYS 28 1HZ LYS 28 -8.802 -7.086 5.211 205 2HZ LYS 28 2HZ LYS 28 -7.159 -7.448 5.042 206 3HZ LYS 28 3HZ LYS 28 -8.247 -7.869 3.818 207 H CYS 29 H CYS 29 -5.957 -2.171 5.770 208 HA CYS 29 HA CYS 29 -5.102 -0.668 3.444 209 1HB CYS 29 2HB CYS 29 -4.267 -0.221 5.869 210 2HB CYS 29 1HB CYS 29 -3.195 -1.552 5.511 211 H LYS 30 H LYS 30 -3.293 -1.484 2.231 212 HA LYS 30 HA LYS 30 -2.056 -3.885 2.391 213 1HB LYS 30 2HB LYS 30 -3.493 -5.224 0.660 214 2HB LYS 30 1HB LYS 30 -3.892 -5.284 2.370 215 1HG LYS 30 2HG LYS 30 -5.790 -4.014 2.111 216 2HG LYS 30 1HG LYS 30 -5.204 -3.254 0.634 217 1HD LYS 30 2HD LYS 30 -5.781 -5.055 -0.685 218 2HD LYS 30 1HD LYS 30 -5.710 -6.193 0.661 219 1HE LYS 30 2HE LYS 30 -7.710 -4.595 1.495 220 2HE LYS 30 1HE LYS 30 -7.916 -4.458 -0.249 221 1HZ LYS 30 1HZ LYS 30 -9.188 -6.284 0.216 222 2HZ LYS 30 2HZ LYS 30 -8.189 -6.820 1.472 223 3HZ LYS 30 3HZ LYS 30 -7.714 -7.035 -0.137 224 H CYS 31 H CYS 31 -0.684 -2.364 1.490 225 HA CYS 31 HA CYS 31 -0.654 -0.933 -0.789 226 1HB CYS 31 2HB CYS 31 1.372 -2.452 0.695 227 2HB CYS 31 1HB CYS 31 1.798 -2.110 -0.978 228 H ASN 32 H ASN 32 0.471 -1.315 -2.793 229 HA ASN 32 HA ASN 32 -0.717 -3.554 -4.240 230 1HB ASN 32 2HB ASN 32 -0.692 -0.936 -4.733 231 2HB ASN 32 1HB ASN 32 0.776 -1.394 -5.553 232 1HD2 ASN 32 1HD2 ASN 32 0.081 -1.084 -7.622 233 2HD2 ASN 32 2HD2 ASN 32 -1.179 -2.005 -8.360 234 H ARG 33 H ARG 33 0.836 -3.699 -6.353 235 HA ARG 33 HA ARG 33 3.009 -5.331 -5.552 236 1HB ARG 33 2HB ARG 33 3.278 -5.924 -7.743 237 2HB ARG 33 1HB ARG 33 1.571 -5.508 -7.676 238 1HG ARG 33 2HG ARG 33 3.837 -3.939 -8.816 239 2HG ARG 33 1HG ARG 33 2.357 -4.487 -9.610 240 1HD ARG 33 2HD ARG 33 1.058 -2.882 -8.562 241 2HD ARG 33 1HD ARG 33 2.240 -2.644 -7.275 242 HE ARG 33 HE ARG 33 3.215 -1.031 -8.568 243 1HH1 ARG 33 1HH1 ARG 33 1.338 -3.115 -10.645 244 2HH1 ARG 33 2HH1 ARG 33 1.647 -2.184 -12.071 245 1HH2 ARG 33 1HH2 ARG 33 3.629 0.192 -10.449 246 2HH2 ARG 33 2HH2 ARG 33 2.946 -0.306 -11.960 247 H CYS 34 H CYS 34 5.038 -5.026 -6.858 248 HA CYS 34 HA CYS 34 7.079 -4.114 -6.819 249 1HB CYS 34 2HB CYS 34 6.606 -2.957 -8.605 250 2HB CYS 34 1HB CYS 34 5.075 -2.427 -7.976 Start of MODEL 16 1 1H VAL 1 1HT VAL 1 -10.555 1.162 -6.645 2 2H VAL 1 2HT VAL 1 -9.862 0.505 -5.219 3 3H VAL 1 3HT VAL 1 -9.917 -0.428 -6.658 4 HA VAL 1 HA VAL 1 -7.737 0.463 -6.184 5 HB VAL 1 HB VAL 1 -7.399 1.524 -8.433 6 1HG1 VAL 1 1HG1 VAL 1 -7.541 -0.487 -9.530 7 2HG1 VAL 1 2HG1 VAL 1 -9.111 -0.883 -8.829 8 3HG1 VAL 1 3HG1 VAL 1 -7.649 -1.021 -7.852 9 1HG2 VAL 1 1HG2 VAL 1 -9.119 2.065 -9.840 10 2HG2 VAL 1 2HG2 VAL 1 -9.869 2.442 -8.288 11 3HG2 VAL 1 3HG2 VAL 1 -10.234 0.918 -9.098 12 H SER 2 H SER 2 -6.446 2.157 -5.660 13 HA SER 2 HA SER 2 -5.829 4.219 -4.927 14 1HB SER 2 2HB SER 2 -8.107 5.326 -6.575 15 2HB SER 2 1HB SER 2 -6.621 6.147 -6.099 16 HG SER 2 HG SER 2 -7.062 4.273 -8.110 17 H CYS 3 H CYS 3 -6.146 4.887 -2.919 18 HA CYS 3 HA CYS 3 -8.888 5.452 -2.024 19 1HB CYS 3 2HB CYS 3 -7.856 4.578 0.287 20 2HB CYS 3 1HB CYS 3 -8.699 3.520 -0.835 21 H THR 4 H THR 4 -8.763 6.554 0.225 22 HA THR 4 HA THR 4 -6.466 8.188 0.731 23 HB THR 4 HB THR 4 -8.798 9.904 0.125 24 HG1 THR 4 1HG THR 4 -7.201 8.886 -1.980 25 1HG2 THR 4 1HG2 THR 4 -6.869 11.172 -1.052 26 2HG2 THR 4 2HG2 THR 4 -5.835 10.089 -0.120 27 3HG2 THR 4 3HG2 THR 4 -6.966 11.159 0.708 28 H GLY 5 H GLY 5 -8.256 6.353 2.134 29 1HA GLY 5 2HA GLY 5 -9.586 8.134 4.054 30 2HA GLY 5 1HA GLY 5 -9.842 6.402 3.914 31 H SER 6 H SER 6 -6.922 5.905 3.767 32 HA SER 6 HA SER 6 -6.441 5.392 6.476 33 1HB SER 6 2HB SER 6 -4.277 5.680 4.389 34 2HB SER 6 1HB SER 6 -4.284 4.638 5.811 35 HG SER 6 HG SER 6 -6.082 3.529 4.799 36 H LYS 7 H LYS 7 -3.816 6.213 6.951 37 HA LYS 7 HA LYS 7 -3.741 9.103 6.796 38 1HB LYS 7 2HB LYS 7 -3.745 9.536 9.135 39 2HB LYS 7 1HB LYS 7 -5.157 8.548 8.798 40 1HG LYS 7 2HG LYS 7 -2.573 7.400 9.818 41 2HG LYS 7 1HG LYS 7 -3.861 7.971 10.877 42 1HD LYS 7 2HD LYS 7 -4.086 5.787 8.807 43 2HD LYS 7 1HD LYS 7 -4.028 5.569 10.556 44 1HE LYS 7 2HE LYS 7 -6.201 6.845 8.914 45 2HE LYS 7 1HE LYS 7 -6.308 5.406 9.926 46 1HZ LYS 7 1HZ LYS 7 -5.728 6.970 11.828 47 2HZ LYS 7 2HZ LYS 7 -7.287 7.085 11.180 48 3HZ LYS 7 3HZ LYS 7 -6.114 8.232 10.767 49 H ASP 8 H ASP 8 -2.274 6.132 8.035 50 HA ASP 8 HA ASP 8 0.350 7.236 7.340 51 1HB ASP 8 2HB ASP 8 -0.172 7.379 9.856 52 2HB ASP 8 1HB ASP 8 -0.027 5.624 9.856 53 H CYS 9 H CYS 9 -1.168 5.493 5.789 54 HA CYS 9 HA CYS 9 0.113 2.891 6.179 55 1HB CYS 9 2HB CYS 9 -2.462 3.288 5.840 56 2HB CYS 9 1HB CYS 9 -1.991 3.279 4.153 57 H TYR 10 H TYR 10 -0.978 4.750 3.384 58 HA TYR 10 HA TYR 10 0.715 3.662 1.506 59 1HB TYR 10 2HB TYR 10 -0.812 6.176 1.760 60 2HB TYR 10 1HB TYR 10 0.516 6.221 0.605 61 HD1 TYR 10 1HD TYR 10 -2.745 6.115 0.467 62 HD2 TYR 10 2HD TYR 10 0.468 3.496 -0.483 63 HE1 TYR 10 1HE TYR 10 -4.161 4.994 -1.201 64 HE2 TYR 10 2HE TYR 10 -0.936 2.368 -2.153 65 HH TYR 10 HH TYR 10 -2.953 2.931 -3.549 66 H ALA 11 H ALA 11 1.465 5.916 4.032 67 HA ALA 11 HA ALA 11 3.839 6.956 2.854 68 1HB ALA 11 1HB ALA 11 3.186 8.408 4.456 69 2HB ALA 11 2HB ALA 11 4.265 7.433 5.455 70 3HB ALA 11 3HB ALA 11 2.527 7.141 5.491 71 HA PRO 12 HA PRO 12 6.339 4.101 5.929 72 1HB PRO 12 2HB PRO 12 4.756 1.937 6.756 73 2HB PRO 12 1HB PRO 12 5.261 3.300 7.757 74 1HG PRO 12 2HG PRO 12 2.684 2.848 6.331 75 2HG PRO 12 1HG PRO 12 2.984 3.622 7.897 76 1HD PRO 12 2HD PRO 12 2.421 5.074 5.724 77 2HD PRO 12 1HD PRO 12 3.612 5.637 6.918 78 H CYS 13 H CYS 13 3.868 3.075 3.721 79 HA CYS 13 HA CYS 13 5.334 0.731 2.867 80 1HB CYS 13 2HB CYS 13 2.703 1.318 2.963 81 2HB CYS 13 1HB CYS 13 3.058 1.611 1.275 82 H ARG 14 H ARG 14 4.161 3.742 1.385 83 HA ARG 14 HA ARG 14 5.208 3.418 -1.115 84 1HB ARG 14 2HB ARG 14 3.814 5.321 -0.596 85 2HB ARG 14 1HB ARG 14 5.025 5.963 0.504 86 1HG ARG 14 2HG ARG 14 6.557 6.144 -1.500 87 2HG ARG 14 1HG ARG 14 5.137 5.809 -2.492 88 1HD ARG 14 2HD ARG 14 5.527 8.117 -0.593 89 2HD ARG 14 1HD ARG 14 5.460 8.191 -2.353 90 HE ARG 14 HE ARG 14 3.239 8.040 -0.537 91 1HH1 ARG 14 1HH1 ARG 14 4.317 7.395 -3.792 92 2HH1 ARG 14 2HH1 ARG 14 2.724 7.464 -4.467 93 1HH2 ARG 14 1HH2 ARG 14 1.143 8.131 -1.422 94 2HH2 ARG 14 2HH2 ARG 14 0.922 7.883 -3.122 95 H LYS 15 H LYS 15 6.886 4.283 1.820 96 HA LYS 15 HA LYS 15 9.327 5.088 0.682 97 1HB LYS 15 2HB LYS 15 8.348 4.343 3.311 98 2HB LYS 15 1HB LYS 15 9.962 3.701 3.040 99 1HG LYS 15 2HG LYS 15 10.151 5.839 4.088 100 2HG LYS 15 1HG LYS 15 10.711 5.981 2.421 101 1HD LYS 15 2HD LYS 15 8.958 7.298 1.801 102 2HD LYS 15 1HD LYS 15 7.847 6.544 2.948 103 1HE LYS 15 2HE LYS 15 10.115 8.213 3.946 104 2HE LYS 15 1HE LYS 15 8.658 8.993 3.331 105 1HZ LYS 15 1HZ LYS 15 8.584 8.641 5.736 106 2HZ LYS 15 2HZ LYS 15 8.720 6.971 5.507 107 3HZ LYS 15 3HZ LYS 15 7.352 7.792 4.946 108 H GLN 16 H GLN 16 8.128 1.924 1.742 109 HA GLN 16 HA GLN 16 10.423 0.484 0.859 110 1HB GLN 16 2HB GLN 16 7.717 -0.210 1.887 111 2HB GLN 16 1HB GLN 16 8.600 -1.450 1.007 112 1HG GLN 16 2HG GLN 16 8.914 -1.572 3.445 113 2HG GLN 16 1HG GLN 16 10.422 -1.336 2.562 114 1HE2 GLN 16 1HE2 GLN 16 11.617 0.458 2.925 115 2HE2 GLN 16 2HE2 GLN 16 11.214 1.674 4.083 116 H THR 17 H THR 17 7.065 0.457 -0.378 117 HA THR 17 HA THR 17 7.780 -0.836 -2.794 118 HB THR 17 HB THR 17 5.280 0.499 -3.058 119 HG1 THR 17 1HG THR 17 4.718 0.697 -1.059 120 1HG2 THR 17 1HG2 THR 17 5.412 -2.308 -2.123 121 2HG2 THR 17 2HG2 THR 17 6.124 -1.912 -3.687 122 3HG2 THR 17 3HG2 THR 17 4.420 -1.576 -3.383 123 H GLY 18 H GLY 18 6.521 2.419 -2.228 124 1HA GLY 18 2HA GLY 18 7.020 4.413 -3.253 125 2HA GLY 18 1HA GLY 18 8.286 3.603 -4.125 126 H CYS 19 H CYS 19 5.161 4.733 -4.160 127 HA CYS 19 HA CYS 19 4.664 5.209 -6.659 128 1HB CYS 19 2HB CYS 19 3.391 3.256 -7.561 129 2HB CYS 19 1HB CYS 19 5.138 3.163 -7.557 130 HA PRO 20 HA PRO 20 0.954 6.541 -4.650 131 1HB PRO 20 2HB PRO 20 -0.176 6.743 -7.383 132 2HB PRO 20 1HB PRO 20 -0.024 7.978 -6.130 133 1HG PRO 20 2HG PRO 20 1.568 7.993 -8.269 134 2HG PRO 20 1HG PRO 20 2.182 8.439 -6.665 135 1HD PRO 20 2HD PRO 20 2.529 5.887 -8.188 136 2HD PRO 20 1HD PRO 20 3.697 6.770 -7.182 137 H TYR 21 H TYR 21 1.035 3.812 -6.778 138 HA TYR 21 HA TYR 21 -1.683 3.107 -6.663 139 1HB TYR 21 2HB TYR 21 0.324 0.964 -6.969 140 2HB TYR 21 1HB TYR 21 -1.066 1.366 -7.946 141 HD1 TYR 21 1HD TYR 21 -0.587 4.043 -8.877 142 HD2 TYR 21 2HD TYR 21 2.170 0.846 -8.354 143 HE1 TYR 21 1HE TYR 21 0.878 5.034 -10.585 144 HE2 TYR 21 2HE TYR 21 3.644 1.829 -10.059 145 HH TYR 21 HH TYR 21 4.057 4.142 -11.025 146 H GLY 22 H GLY 22 -2.487 1.093 -5.658 147 1HA GLY 22 2HA GLY 22 -1.252 -0.195 -3.499 148 2HA GLY 22 1HA GLY 22 -2.189 1.134 -2.855 149 H LYS 23 H LYS 23 -2.648 -1.698 -2.390 150 HA LYS 23 HA LYS 23 -5.121 -2.149 -3.886 151 1HB LYS 23 2HB LYS 23 -3.086 -3.885 -3.085 152 2HB LYS 23 1HB LYS 23 -4.424 -4.248 -2.005 153 1HG LYS 23 2HG LYS 23 -5.141 -3.995 -4.843 154 2HG LYS 23 1HG LYS 23 -4.087 -5.353 -4.442 155 1HD LYS 23 2HD LYS 23 -6.343 -4.969 -2.604 156 2HD LYS 23 1HD LYS 23 -6.804 -5.383 -4.257 157 1HE LYS 23 2HE LYS 23 -5.935 -7.468 -4.119 158 2HE LYS 23 1HE LYS 23 -4.596 -6.957 -3.092 159 1HZ LYS 23 1HZ LYS 23 -6.653 -8.401 -2.223 160 2HZ LYS 23 2HZ LYS 23 -7.230 -6.849 -1.877 161 3HZ LYS 23 3HZ LYS 23 -5.757 -7.368 -1.227 162 H CYS 24 H CYS 24 -4.266 -0.510 -1.271 163 HA CYS 24 HA CYS 24 -5.734 -1.354 0.888 164 1HB CYS 24 2HB CYS 24 -4.738 0.479 1.666 165 2HB CYS 24 1HB CYS 24 -4.427 1.050 0.035 166 H MET 25 H MET 25 -7.779 -1.842 1.106 167 HA MET 25 HA MET 25 -9.779 -0.503 -0.585 168 1HB MET 25 2HB MET 25 -9.693 -3.196 0.751 169 2HB MET 25 1HB MET 25 -11.226 -2.480 0.274 170 1HG MET 25 2HG MET 25 -8.992 -2.740 -1.693 171 2HG MET 25 1HG MET 25 -10.040 -4.110 -1.329 172 1HE MET 25 1HE MET 25 -11.409 -4.730 -2.917 173 2HE MET 25 2HE MET 25 -10.754 -3.871 -4.311 174 3HE MET 25 3HE MET 25 -12.479 -3.784 -3.952 175 H ASN 26 H ASN 26 -11.609 0.385 0.320 176 HA ASN 26 HA ASN 26 -11.409 1.824 2.627 177 1HB ASN 26 2HB ASN 26 -14.134 0.788 2.098 178 2HB ASN 26 1HB ASN 26 -13.594 2.436 2.370 179 1HD2 ASN 26 1HD2 ASN 26 -12.892 3.672 0.649 180 2HD2 ASN 26 2HD2 ASN 26 -13.168 3.216 -0.994 181 H ARG 27 H ARG 27 -11.206 1.335 4.670 182 HA ARG 27 HA ARG 27 -11.516 0.370 6.712 183 1HB ARG 27 2HB ARG 27 -13.890 -0.205 5.460 184 2HB ARG 27 1HB ARG 27 -13.297 -1.807 5.878 185 1HG ARG 27 2HG ARG 27 -13.731 -1.523 8.045 186 2HG ARG 27 1HG ARG 27 -13.049 0.103 8.060 187 1HD ARG 27 2HD ARG 27 -15.325 0.379 8.584 188 2HD ARG 27 1HD ARG 27 -15.174 0.847 6.891 189 HE ARG 27 HE ARG 27 -15.890 -1.911 7.268 190 1HH1 ARG 27 1HH1 ARG 27 -17.107 1.350 7.000 191 2HH1 ARG 27 2HH1 ARG 27 -18.681 0.852 6.477 192 1HH2 ARG 27 1HH2 ARG 27 -17.961 -2.566 6.580 193 2HH2 ARG 27 2HH2 ARG 27 -19.167 -1.370 6.239 194 H LYS 28 H LYS 28 -9.583 -0.467 4.701 195 HA LYS 28 HA LYS 28 -8.314 -2.531 6.051 196 1HB LYS 28 2HB LYS 28 -10.460 -3.584 4.662 197 2HB LYS 28 1HB LYS 28 -9.107 -3.874 3.578 198 1HG LYS 28 2HG LYS 28 -9.394 -5.786 4.981 199 2HG LYS 28 1HG LYS 28 -7.904 -4.964 5.451 200 1HD LYS 28 2HD LYS 28 -8.904 -5.434 7.494 201 2HD LYS 28 1HD LYS 28 -9.395 -3.766 7.192 202 1HE LYS 28 2HE LYS 28 -11.503 -4.735 6.159 203 2HE LYS 28 1HE LYS 28 -11.018 -6.276 6.864 204 1HZ LYS 28 1HZ LYS 28 -12.536 -5.142 8.324 205 2HZ LYS 28 2HZ LYS 28 -11.561 -3.760 8.346 206 3HZ LYS 28 3HZ LYS 28 -11.010 -5.196 9.050 207 H CYS 29 H CYS 29 -6.392 -1.588 5.637 208 HA CYS 29 HA CYS 29 -5.659 -0.571 3.093 209 1HB CYS 29 2HB CYS 29 -4.821 0.092 5.446 210 2HB CYS 29 1HB CYS 29 -3.675 -1.205 5.196 211 H LYS 30 H LYS 30 -3.755 -1.257 1.896 212 HA LYS 30 HA LYS 30 -2.390 -3.618 2.162 213 1HB LYS 30 2HB LYS 30 -3.706 -4.837 0.171 214 2HB LYS 30 1HB LYS 30 -4.035 -5.155 1.867 215 1HG LYS 30 2HG LYS 30 -6.019 -3.968 1.838 216 2HG LYS 30 1HG LYS 30 -5.557 -3.040 0.414 217 1HD LYS 30 2HD LYS 30 -7.115 -4.531 -0.438 218 2HD LYS 30 1HD LYS 30 -5.582 -5.330 -0.792 219 1HE LYS 30 2HE LYS 30 -7.236 -6.892 0.123 220 2HE LYS 30 1HE LYS 30 -5.831 -6.731 1.176 221 1HZ LYS 30 1HZ LYS 30 -8.108 -6.690 2.259 222 2HZ LYS 30 2HZ LYS 30 -8.286 -5.140 1.608 223 3HZ LYS 30 3HZ LYS 30 -7.034 -5.460 2.700 224 H CYS 31 H CYS 31 -0.895 -2.188 1.392 225 HA CYS 31 HA CYS 31 -0.741 -0.582 -0.782 226 1HB CYS 31 2HB CYS 31 1.507 -2.489 -0.220 227 2HB CYS 31 1HB CYS 31 1.589 -0.806 -0.727 228 H ASN 32 H ASN 32 0.477 -0.861 -2.756 229 HA ASN 32 HA ASN 32 -0.793 -2.849 -4.417 230 1HB ASN 32 2HB ASN 32 -0.217 -0.314 -4.848 231 2HB ASN 32 1HB ASN 32 1.284 -0.997 -5.399 232 1HD2 ASN 32 1HD2 ASN 32 1.394 -1.625 -7.441 233 2HD2 ASN 32 2HD2 ASN 32 0.044 -1.915 -8.479 234 H ARG 33 H ARG 33 0.740 -3.618 -6.275 235 HA ARG 33 HA ARG 33 2.990 -5.002 -4.989 236 1HB ARG 33 2HB ARG 33 0.956 -6.103 -6.410 237 2HB ARG 33 1HB ARG 33 2.121 -5.831 -7.699 238 1HG ARG 33 2HG ARG 33 2.822 -7.277 -5.161 239 2HG ARG 33 1HG ARG 33 2.179 -8.094 -6.588 240 1HD ARG 33 2HD ARG 33 4.082 -7.754 -7.809 241 2HD ARG 33 1HD ARG 33 4.500 -6.275 -6.947 242 HE ARG 33 HE ARG 33 4.687 -8.645 -5.333 243 1HH1 ARG 33 1HH1 ARG 33 6.366 -6.588 -7.597 244 2HH1 ARG 33 2HH1 ARG 33 7.939 -7.067 -7.058 245 1HH2 ARG 33 1HH2 ARG 33 6.756 -9.278 -4.622 246 2HH2 ARG 33 2HH2 ARG 33 8.162 -8.594 -5.369 247 H CYS 34 H CYS 34 4.260 -3.143 -5.126 248 HA CYS 34 HA CYS 34 5.006 -2.146 -7.737 249 1HB CYS 34 2HB CYS 34 4.781 -1.025 -5.259 250 2HB CYS 34 1HB CYS 34 6.514 -1.150 -5.481 Start of MODEL 17 1 1H VAL 1 1HT VAL 1 -10.969 -0.173 -8.551 2 2H VAL 1 2HT VAL 1 -11.273 -1.502 -7.509 3 3H VAL 1 3HT VAL 1 -9.711 -1.277 -8.184 4 HA VAL 1 HA VAL 1 -10.904 0.819 -6.557 5 HB VAL 1 HB VAL 1 -9.675 -0.244 -4.597 6 1HG1 VAL 1 1HG1 VAL 1 -12.037 -0.139 -4.523 7 2HG1 VAL 1 2HG1 VAL 1 -11.607 -1.798 -4.106 8 3HG1 VAL 1 3HG1 VAL 1 -12.204 -1.421 -5.722 9 1HG2 VAL 1 1HG2 VAL 1 -9.871 -2.649 -6.405 10 2HG2 VAL 1 2HG2 VAL 1 -9.533 -2.725 -4.675 11 3HG2 VAL 1 3HG2 VAL 1 -8.402 -1.917 -5.760 12 H SER 2 H SER 2 -9.413 2.354 -6.045 13 HA SER 2 HA SER 2 -6.597 1.919 -6.223 14 1HB SER 2 2HB SER 2 -8.022 3.305 -8.481 15 2HB SER 2 1HB SER 2 -6.356 3.718 -8.076 16 HG SER 2 HG SER 2 -5.824 1.510 -8.387 17 H CYS 3 H CYS 3 -5.473 3.478 -5.152 18 HA CYS 3 HA CYS 3 -6.908 5.933 -4.410 19 1HB CYS 3 2HB CYS 3 -5.486 5.547 -2.163 20 2HB CYS 3 1HB CYS 3 -7.137 4.976 -2.362 21 H THR 4 H THR 4 -5.298 7.458 -3.233 22 HA THR 4 HA THR 4 -2.595 7.296 -4.295 23 HB THR 4 HB THR 4 -3.991 9.877 -4.798 24 HG1 THR 4 1HG THR 4 -4.294 7.563 -6.403 25 1HG2 THR 4 1HG2 THR 4 -1.507 8.760 -5.477 26 2HG2 THR 4 2HG2 THR 4 -2.170 10.321 -5.959 27 3HG2 THR 4 3HG2 THR 4 -2.432 8.901 -6.972 28 H GLY 5 H GLY 5 -3.838 7.263 -1.644 29 1HA GLY 5 2HA GLY 5 -2.129 8.424 -0.008 30 2HA GLY 5 1HA GLY 5 -3.050 9.837 -0.501 31 H SER 6 H SER 6 -2.780 8.715 2.155 32 HA SER 6 HA SER 6 -5.619 8.480 2.765 33 1HB SER 6 2HB SER 6 -3.784 6.557 4.146 34 2HB SER 6 1HB SER 6 -5.524 6.448 3.880 35 HG SER 6 HG SER 6 -5.136 5.410 2.105 36 H LYS 7 H LYS 7 -5.659 8.148 5.388 37 HA LYS 7 HA LYS 7 -4.745 10.621 6.404 38 1HB LYS 7 2HB LYS 7 -5.542 9.769 8.592 39 2HB LYS 7 1HB LYS 7 -6.731 9.588 7.311 40 1HG LYS 7 2HG LYS 7 -5.646 7.193 7.113 41 2HG LYS 7 1HG LYS 7 -5.202 7.520 8.789 42 1HD LYS 7 2HD LYS 7 -7.243 6.631 9.197 43 2HD LYS 7 1HD LYS 7 -7.777 8.277 8.851 44 1HE LYS 7 2HE LYS 7 -7.977 7.525 6.425 45 2HE LYS 7 1HE LYS 7 -7.811 5.880 7.036 46 1HZ LYS 7 1HZ LYS 7 -9.721 6.771 8.632 47 2HZ LYS 7 2HZ LYS 7 -10.045 6.051 7.136 48 3HZ LYS 7 3HZ LYS 7 -10.041 7.736 7.278 49 H ASP 8 H ASP 8 -3.662 7.283 7.004 50 HA ASP 8 HA ASP 8 -0.963 8.194 7.433 51 1HB ASP 8 2HB ASP 8 -0.931 6.905 9.691 52 2HB ASP 8 1HB ASP 8 -1.507 8.568 9.653 53 H CYS 9 H CYS 9 -2.509 6.361 5.717 54 HA CYS 9 HA CYS 9 -1.213 3.814 6.359 55 1HB CYS 9 2HB CYS 9 -3.780 4.120 5.910 56 2HB CYS 9 1HB CYS 9 -3.258 4.018 4.243 57 H TYR 10 H TYR 10 -2.232 5.520 3.445 58 HA TYR 10 HA TYR 10 -0.577 4.332 1.622 59 1HB TYR 10 2HB TYR 10 -2.294 6.521 1.623 60 2HB TYR 10 1HB TYR 10 -0.745 7.196 1.127 61 HD1 TYR 10 1HD TYR 10 -0.573 7.410 -1.156 62 HD2 TYR 10 2HD TYR 10 -2.585 4.013 0.427 63 HE1 TYR 10 1HE TYR 10 -0.935 6.569 -3.438 64 HE2 TYR 10 2HE TYR 10 -2.953 3.162 -1.850 65 HH TYR 10 HH TYR 10 -3.068 4.004 -4.135 66 H ALA 11 H ALA 11 0.272 6.647 4.070 67 HA ALA 11 HA ALA 11 2.769 7.423 2.928 68 1HB ALA 11 1HB ALA 11 3.127 7.967 5.541 69 2HB ALA 11 2HB ALA 11 1.366 7.878 5.478 70 3HB ALA 11 3HB ALA 11 2.228 9.009 4.436 71 HA PRO 12 HA PRO 12 4.864 4.483 6.201 72 1HB PRO 12 2HB PRO 12 3.080 2.572 7.177 73 2HB PRO 12 1HB PRO 12 3.662 3.984 8.064 74 1HG PRO 12 2HG PRO 12 1.105 3.599 6.575 75 2HG PRO 12 1HG PRO 12 1.404 4.465 8.093 76 1HD PRO 12 2HD PRO 12 1.042 5.781 5.792 77 2HD PRO 12 1HD PRO 12 2.215 6.349 7.001 78 H CYS 13 H CYS 13 2.325 3.580 4.012 79 HA CYS 13 HA CYS 13 3.557 1.037 3.372 80 1HB CYS 13 2HB CYS 13 0.971 2.018 3.280 81 2HB CYS 13 1HB CYS 13 1.441 1.816 1.606 82 H ARG 14 H ARG 14 2.840 4.111 1.731 83 HA ARG 14 HA ARG 14 3.840 3.542 -0.753 84 1HB ARG 14 2HB ARG 14 2.754 5.649 -0.360 85 2HB ARG 14 1HB ARG 14 3.979 6.124 0.807 86 1HG ARG 14 2HG ARG 14 5.036 5.513 -1.851 87 2HG ARG 14 1HG ARG 14 3.916 6.876 -1.809 88 1HD ARG 14 2HD ARG 14 5.437 7.427 0.350 89 2HD ARG 14 1HD ARG 14 6.618 6.597 -0.662 90 HE ARG 14 HE ARG 14 5.589 9.218 -1.046 91 1HH1 ARG 14 1HH1 ARG 14 6.689 6.393 -2.775 92 2HH1 ARG 14 2HH1 ARG 14 7.170 7.285 -4.178 93 1HH2 ARG 14 1HH2 ARG 14 6.222 10.394 -2.890 94 2HH2 ARG 14 2HH2 ARG 14 6.906 9.557 -4.244 95 H LYS 15 H LYS 15 5.571 4.364 2.183 96 HA LYS 15 HA LYS 15 8.127 4.727 1.098 97 1HB LYS 15 2HB LYS 15 6.970 4.282 3.724 98 2HB LYS 15 1HB LYS 15 8.510 3.451 3.559 99 1HG LYS 15 2HG LYS 15 8.076 6.374 2.981 100 2HG LYS 15 1HG LYS 15 8.706 5.727 4.498 101 1HD LYS 15 2HD LYS 15 10.708 6.049 3.514 102 2HD LYS 15 1HD LYS 15 10.345 4.518 2.714 103 1HE LYS 15 2HE LYS 15 9.992 5.499 0.710 104 2HE LYS 15 1HE LYS 15 9.244 6.926 1.423 105 1HZ LYS 15 1HZ LYS 15 11.684 7.366 2.209 106 2HZ LYS 15 2HZ LYS 15 11.185 7.805 0.654 107 3HZ LYS 15 3HZ LYS 15 12.072 6.384 0.886 108 H GLN 16 H GLN 16 6.500 1.798 2.276 109 HA GLN 16 HA GLN 16 8.662 0.050 1.662 110 1HB GLN 16 2HB GLN 16 6.467 -0.195 3.190 111 2HB GLN 16 1HB GLN 16 5.905 -1.032 1.751 112 1HG GLN 16 2HG GLN 16 8.160 -2.307 1.936 113 2HG GLN 16 1HG GLN 16 8.129 -1.741 3.605 114 1HE2 GLN 16 1HE2 GLN 16 6.182 -2.253 4.856 115 2HE2 GLN 16 2HE2 GLN 16 5.378 -3.752 4.556 116 H THR 17 H THR 17 5.499 0.543 0.077 117 HA THR 17 HA THR 17 6.107 -1.118 -2.134 118 HB THR 17 HB THR 17 3.970 0.967 -1.704 119 HG1 THR 17 1HG THR 17 4.185 -1.772 -1.245 120 1HG2 THR 17 1HG2 THR 17 2.764 0.056 -3.565 121 2HG2 THR 17 2HG2 THR 17 4.055 -1.101 -3.883 122 3HG2 THR 17 3HG2 THR 17 4.340 0.623 -4.115 123 H GLY 18 H GLY 18 5.541 2.370 -2.072 124 1HA GLY 18 2HA GLY 18 7.288 3.826 -3.003 125 2HA GLY 18 1HA GLY 18 7.450 2.626 -4.249 126 H CYS 19 H CYS 19 6.388 2.881 -6.023 127 HA CYS 19 HA CYS 19 5.316 4.926 -7.132 128 1HB CYS 19 2HB CYS 19 3.623 3.430 -8.286 129 2HB CYS 19 1HB CYS 19 5.339 3.156 -8.480 130 HA PRO 20 HA PRO 20 1.835 6.718 -5.100 131 1HB PRO 20 2HB PRO 20 0.709 7.072 -7.828 132 2HB PRO 20 1HB PRO 20 0.976 8.266 -6.554 133 1HG PRO 20 2HG PRO 20 2.589 8.159 -8.666 134 2HG PRO 20 1HG PRO 20 3.235 8.478 -7.045 135 1HD PRO 20 2HD PRO 20 3.313 5.964 -8.659 136 2HD PRO 20 1HD PRO 20 4.547 6.658 -7.587 137 H TYR 21 H TYR 21 1.460 3.999 -7.217 138 HA TYR 21 HA TYR 21 -1.327 3.701 -7.014 139 1HB TYR 21 2HB TYR 21 0.338 1.285 -7.347 140 2HB TYR 21 1HB TYR 21 -1.012 1.870 -8.285 141 HD1 TYR 21 1HD TYR 21 2.084 0.873 -8.814 142 HD2 TYR 21 2HD TYR 21 -0.173 4.453 -9.258 143 HE1 TYR 21 1HE TYR 21 3.618 1.613 -10.587 144 HE2 TYR 21 2HE TYR 21 1.355 5.202 -11.032 145 HH TYR 21 HH TYR 21 3.676 3.121 -12.461 146 H GLY 22 H GLY 22 -2.379 1.828 -5.937 147 1HA GLY 22 2HA GLY 22 -1.099 0.697 -3.621 148 2HA GLY 22 1HA GLY 22 -2.284 1.917 -3.220 149 H LYS 23 H LYS 23 -2.346 -0.916 -2.553 150 HA LYS 23 HA LYS 23 -4.563 -1.879 -4.195 151 1HB LYS 23 2HB LYS 23 -2.393 -3.227 -3.316 152 2HB LYS 23 1HB LYS 23 -3.513 -3.565 -2.002 153 1HG LYS 23 2HG LYS 23 -5.136 -4.164 -3.985 154 2HG LYS 23 1HG LYS 23 -3.617 -4.402 -4.850 155 1HD LYS 23 2HD LYS 23 -3.749 -6.483 -3.992 156 2HD LYS 23 1HD LYS 23 -3.087 -5.715 -2.546 157 1HE LYS 23 2HE LYS 23 -5.365 -5.386 -1.694 158 2HE LYS 23 1HE LYS 23 -6.009 -6.181 -3.130 159 1HZ LYS 23 1HZ LYS 23 -4.694 -7.332 -0.803 160 2HZ LYS 23 2HZ LYS 23 -4.328 -8.040 -2.295 161 3HZ LYS 23 3HZ LYS 23 -5.934 -7.961 -1.769 162 H CYS 24 H CYS 24 -4.380 0.169 -1.820 163 HA CYS 24 HA CYS 24 -5.847 -0.808 0.326 164 1HB CYS 24 2HB CYS 24 -5.826 1.339 1.094 165 2HB CYS 24 1HB CYS 24 -4.615 1.510 -0.166 166 H MET 25 H MET 25 -7.900 -1.306 0.648 167 HA MET 25 HA MET 25 -10.013 -0.203 -1.027 168 1HB MET 25 2HB MET 25 -10.922 -2.504 -1.476 169 2HB MET 25 1HB MET 25 -9.448 -2.116 -2.353 170 1HG MET 25 2HG MET 25 -8.161 -3.559 -1.099 171 2HG MET 25 1HG MET 25 -9.291 -3.556 0.254 172 1HE MET 25 1HE MET 25 -8.494 -6.932 -1.134 173 2HE MET 25 2HE MET 25 -7.614 -5.477 -1.601 174 3HE MET 25 3HE MET 25 -8.511 -6.392 -2.812 175 H ASN 26 H ASN 26 -12.053 -0.312 -0.064 176 HA ASN 26 HA ASN 26 -13.446 -0.312 1.840 177 1HB ASN 26 2HB ASN 26 -11.890 -2.727 2.706 178 2HB ASN 26 1HB ASN 26 -13.580 -2.345 3.017 179 1HD2 ASN 26 1HD2 ASN 26 -14.414 -1.646 0.483 180 2HD2 ASN 26 2HD2 ASN 26 -14.357 -3.039 -0.537 181 H ARG 27 H ARG 27 -13.114 -0.905 4.240 182 HA ARG 27 HA ARG 27 -11.486 1.171 5.271 183 1HB ARG 27 2HB ARG 27 -13.538 -0.595 6.332 184 2HB ARG 27 1HB ARG 27 -12.206 -0.391 7.464 185 1HG ARG 27 2HG ARG 27 -12.728 2.177 6.569 186 2HG ARG 27 1HG ARG 27 -14.322 1.442 6.739 187 1HD ARG 27 2HD ARG 27 -12.232 1.266 8.890 188 2HD ARG 27 1HD ARG 27 -13.358 2.618 8.782 189 HE ARG 27 HE ARG 27 -13.914 0.028 9.792 190 1HH1 ARG 27 1HH1 ARG 27 -15.346 2.647 7.983 191 2HH1 ARG 27 2HH1 ARG 27 -16.965 2.254 8.457 192 1HH2 ARG 27 1HH2 ARG 27 -16.042 -0.491 10.415 193 2HH2 ARG 27 2HH2 ARG 27 -17.361 0.474 9.838 194 H LYS 28 H LYS 28 -10.603 -1.398 3.925 195 HA LYS 28 HA LYS 28 -8.389 -2.013 5.788 196 1HB LYS 28 2HB LYS 28 -9.896 -3.939 5.407 197 2HB LYS 28 1HB LYS 28 -9.574 -3.832 3.681 198 1HG LYS 28 2HG LYS 28 -8.144 -5.509 4.328 199 2HG LYS 28 1HG LYS 28 -7.090 -4.095 4.394 200 1HD LYS 28 2HD LYS 28 -6.915 -4.167 6.650 201 2HD LYS 28 1HD LYS 28 -8.578 -4.716 6.866 202 1HE LYS 28 2HE LYS 28 -6.766 -6.361 7.504 203 2HE LYS 28 1HE LYS 28 -8.004 -6.957 6.399 204 1HZ LYS 28 1HZ LYS 28 -5.626 -7.510 5.832 205 2HZ LYS 28 2HZ LYS 28 -5.419 -5.877 5.442 206 3HZ LYS 28 3HZ LYS 28 -6.540 -6.815 4.590 207 H CYS 29 H CYS 29 -7.068 -0.399 4.999 208 HA CYS 29 HA CYS 29 -6.481 -0.044 2.263 209 1HB CYS 29 2HB CYS 29 -5.947 1.867 3.311 210 2HB CYS 29 1HB CYS 29 -5.621 1.062 4.824 211 H LYS 30 H LYS 30 -4.256 -0.234 1.376 212 HA LYS 30 HA LYS 30 -2.274 -1.887 2.361 213 1HB LYS 30 2HB LYS 30 -2.708 -3.970 0.983 214 2HB LYS 30 1HB LYS 30 -3.713 -3.761 2.409 215 1HG LYS 30 2HG LYS 30 -5.004 -2.544 0.175 216 2HG LYS 30 1HG LYS 30 -4.524 -4.186 -0.253 217 1HD LYS 30 2HD LYS 30 -5.985 -3.525 2.294 218 2HD LYS 30 1HD LYS 30 -6.818 -3.923 0.791 219 1HE LYS 30 2HE LYS 30 -6.707 -5.972 1.863 220 2HE LYS 30 1HE LYS 30 -5.308 -6.024 0.792 221 1HZ LYS 30 1HZ LYS 30 -5.003 -5.035 3.547 222 2HZ LYS 30 2HZ LYS 30 -3.853 -5.752 2.535 223 3HZ LYS 30 3HZ LYS 30 -5.053 -6.701 3.256 224 H CYS 31 H CYS 31 -0.883 -0.588 1.312 225 HA CYS 31 HA CYS 31 -0.902 0.563 -1.152 226 1HB CYS 31 2HB CYS 31 1.631 0.174 -1.141 227 2HB CYS 31 1HB CYS 31 0.927 1.085 0.186 228 H ASN 32 H ASN 32 0.465 0.077 -2.990 229 HA ASN 32 HA ASN 32 -0.464 -2.348 -4.225 230 1HB ASN 32 2HB ASN 32 -0.207 0.071 -5.172 231 2HB ASN 32 1HB ASN 32 1.421 -0.463 -5.505 232 1HD2 ASN 32 1HD2 ASN 32 1.772 -1.479 -7.357 233 2HD2 ASN 32 2HD2 ASN 32 0.557 -2.177 -8.368 234 H ARG 33 H ARG 33 1.215 -3.313 -5.840 235 HA ARG 33 HA ARG 33 3.538 -4.150 -4.241 236 1HB ARG 33 2HB ARG 33 1.676 -5.774 -5.237 237 2HB ARG 33 1HB ARG 33 2.686 -5.656 -6.671 238 1HG ARG 33 2HG ARG 33 3.803 -6.398 -3.987 239 2HG ARG 33 1HG ARG 33 3.133 -7.593 -5.100 240 1HD ARG 33 2HD ARG 33 4.756 -6.374 -6.800 241 2HD ARG 33 1HD ARG 33 5.612 -5.965 -5.313 242 HE ARG 33 HE ARG 33 6.286 -8.143 -5.147 243 1HH1 ARG 33 1HH1 ARG 33 3.640 -7.959 -7.416 244 2HH1 ARG 33 2HH1 ARG 33 3.792 -9.609 -7.918 245 1HH2 ARG 33 1HH2 ARG 33 6.487 -10.314 -5.807 246 2HH2 ARG 33 2HH2 ARG 33 5.408 -10.947 -7.004 247 H CYS 34 H CYS 34 4.962 -2.545 -4.790 248 HA CYS 34 HA CYS 34 5.507 -2.029 -7.594 249 1HB CYS 34 2HB CYS 34 5.446 -0.434 -5.391 250 2HB CYS 34 1HB CYS 34 7.165 -0.664 -5.649 Start of MODEL 18 1 1H VAL 1 1HT VAL 1 -4.885 -0.139 -8.430 2 2H VAL 1 2HT VAL 1 -5.817 1.057 -9.233 3 3H VAL 1 3HT VAL 1 -6.441 -0.530 -9.031 4 HA VAL 1 HA VAL 1 -7.279 1.275 -7.526 5 HB VAL 1 HB VAL 1 -7.170 -0.299 -5.530 6 1HG1 VAL 1 1HG1 VAL 1 -8.647 -1.925 -6.558 7 2HG1 VAL 1 2HG1 VAL 1 -8.070 -1.470 -8.161 8 3HG1 VAL 1 3HG1 VAL 1 -8.984 -0.314 -7.191 9 1HG2 VAL 1 1HG2 VAL 1 -5.985 -2.240 -5.578 10 2HG2 VAL 1 2HG2 VAL 1 -4.931 -1.264 -6.600 11 3HG2 VAL 1 3HG2 VAL 1 -6.078 -2.386 -7.332 12 H SER 2 H SER 2 -6.842 2.648 -5.864 13 HA SER 2 HA SER 2 -4.467 2.518 -4.295 14 1HB SER 2 2HB SER 2 -3.482 4.670 -5.103 15 2HB SER 2 1HB SER 2 -3.396 3.370 -6.291 16 HG SER 2 HG SER 2 -5.203 5.550 -6.224 17 H CYS 3 H CYS 3 -4.740 3.612 -2.432 18 HA CYS 3 HA CYS 3 -7.154 5.267 -2.205 19 1HB CYS 3 2HB CYS 3 -5.538 4.158 0.086 20 2HB CYS 3 1HB CYS 3 -7.200 4.735 0.108 21 H THR 4 H THR 4 -6.947 6.992 -0.415 22 HA THR 4 HA THR 4 -4.430 8.200 0.064 23 HB THR 4 HB THR 4 -5.256 10.339 -1.324 24 HG1 THR 4 1HG THR 4 -6.060 8.163 -2.946 25 1HG2 THR 4 1HG2 THR 4 -3.209 8.507 -1.621 26 2HG2 THR 4 2HG2 THR 4 -3.385 10.044 -2.467 27 3HG2 THR 4 3HG2 THR 4 -3.984 8.557 -3.204 28 H GLY 5 H GLY 5 -6.810 7.467 1.505 29 1HA GLY 5 2HA GLY 5 -7.281 10.025 2.826 30 2HA GLY 5 1HA GLY 5 -8.698 9.208 2.184 31 H SER 6 H SER 6 -6.014 7.386 3.442 32 HA SER 6 HA SER 6 -7.735 6.206 5.440 33 1HB SER 6 2HB SER 6 -4.826 5.566 5.339 34 2HB SER 6 1HB SER 6 -6.208 4.491 5.546 35 HG SER 6 HG SER 6 -5.087 5.529 3.197 36 H LYS 7 H LYS 7 -6.085 5.630 7.522 37 HA LYS 7 HA LYS 7 -5.981 8.174 8.889 38 1HB LYS 7 2HB LYS 7 -5.529 6.856 10.889 39 2HB LYS 7 1HB LYS 7 -6.897 6.188 10.011 40 1HG LYS 7 2HG LYS 7 -5.307 4.530 8.997 41 2HG LYS 7 1HG LYS 7 -4.092 5.118 10.134 42 1HD LYS 7 2HD LYS 7 -5.141 4.195 11.945 43 2HD LYS 7 1HD LYS 7 -6.743 4.323 11.217 44 1HE LYS 7 2HE LYS 7 -6.526 2.099 10.951 45 2HE LYS 7 1HE LYS 7 -5.577 2.557 9.538 46 1HZ LYS 7 1HZ LYS 7 -4.337 2.176 12.196 47 2HZ LYS 7 2HZ LYS 7 -3.584 2.206 10.683 48 3HZ LYS 7 3HZ LYS 7 -4.553 0.889 11.118 49 H ASP 8 H ASP 8 -3.684 5.598 8.042 50 HA ASP 8 HA ASP 8 -1.556 7.313 7.487 51 1HB ASP 8 2HB ASP 8 -1.948 7.320 10.174 52 2HB ASP 8 1HB ASP 8 -0.808 5.987 10.016 53 H CYS 9 H CYS 9 -2.457 5.215 6.139 54 HA CYS 9 HA CYS 9 -0.605 3.009 6.682 55 1HB CYS 9 2HB CYS 9 -3.189 2.733 6.415 56 2HB CYS 9 1HB CYS 9 -2.792 2.778 4.712 57 H TYR 10 H TYR 10 -2.153 4.405 3.842 58 HA TYR 10 HA TYR 10 -0.435 3.584 1.898 59 1HB TYR 10 2HB TYR 10 -2.522 5.423 2.066 60 2HB TYR 10 1HB TYR 10 -1.165 6.366 1.458 61 HD1 TYR 10 1HD TYR 10 -1.355 6.649 -0.820 62 HD2 TYR 10 2HD TYR 10 -2.319 2.859 0.854 63 HE1 TYR 10 1HE TYR 10 -1.745 5.758 -3.078 64 HE2 TYR 10 2HE TYR 10 -2.711 1.956 -1.399 65 HH TYR 10 HH TYR 10 -1.822 3.665 -4.244 66 H ALA 11 H ALA 11 0.102 6.059 4.285 67 HA ALA 11 HA ALA 11 2.360 7.223 2.982 68 1HB ALA 11 1HB ALA 11 2.733 7.948 5.555 69 2HB ALA 11 2HB ALA 11 1.013 7.559 5.578 70 3HB ALA 11 3HB ALA 11 1.629 8.768 4.450 71 HA PRO 12 HA PRO 12 5.185 4.913 6.200 72 1HB PRO 12 2HB PRO 12 3.804 2.775 7.385 73 2HB PRO 12 1HB PRO 12 4.271 4.279 8.182 74 1HG PRO 12 2HG PRO 12 1.653 3.492 7.000 75 2HG PRO 12 1HG PRO 12 1.990 4.479 8.434 76 1HD PRO 12 2HD PRO 12 1.197 5.595 6.133 77 2HD PRO 12 1HD PRO 12 2.400 6.389 7.173 78 H CYS 13 H CYS 13 2.609 3.467 4.387 79 HA CYS 13 HA CYS 13 4.007 1.075 3.675 80 1HB CYS 13 2HB CYS 13 1.450 1.632 3.732 81 2HB CYS 13 1HB CYS 13 1.754 2.143 2.092 82 H ARG 14 H ARG 14 2.889 3.886 1.843 83 HA ARG 14 HA ARG 14 4.067 3.341 -0.558 84 1HB ARG 14 2HB ARG 14 2.594 5.243 -0.269 85 2HB ARG 14 1HB ARG 14 3.771 6.043 0.762 86 1HG ARG 14 2HG ARG 14 5.310 5.855 -1.338 87 2HG ARG 14 1HG ARG 14 3.778 5.669 -2.196 88 1HD ARG 14 2HD ARG 14 3.209 7.789 -0.622 89 2HD ARG 14 1HD ARG 14 4.939 8.029 -0.866 90 HE ARG 14 HE ARG 14 4.025 7.575 -3.369 91 1HH1 ARG 14 1HH1 ARG 14 3.044 9.770 -0.840 92 2HH1 ARG 14 2HH1 ARG 14 2.480 10.983 -1.941 93 1HH2 ARG 14 1HH2 ARG 14 3.284 9.168 -4.817 94 2HH2 ARG 14 2HH2 ARG 14 2.615 10.641 -4.199 95 H LYS 15 H LYS 15 5.571 4.575 2.333 96 HA LYS 15 HA LYS 15 8.057 5.290 1.193 97 1HB LYS 15 2HB LYS 15 6.919 5.324 3.749 98 2HB LYS 15 1HB LYS 15 8.292 4.234 3.889 99 1HG LYS 15 2HG LYS 15 8.356 7.081 2.917 100 2HG LYS 15 1HG LYS 15 8.957 6.475 4.461 101 1HD LYS 15 2HD LYS 15 10.735 5.332 3.450 102 2HD LYS 15 1HD LYS 15 9.992 5.413 1.851 103 1HE LYS 15 2HE LYS 15 11.268 7.641 3.420 104 2HE LYS 15 1HE LYS 15 11.770 6.985 1.863 105 1HZ LYS 15 1HZ LYS 15 10.677 8.921 1.293 106 2HZ LYS 15 2HZ LYS 15 9.485 8.741 2.478 107 3HZ LYS 15 3HZ LYS 15 9.458 7.764 1.097 108 H GLN 16 H GLN 16 6.820 2.306 2.645 109 HA GLN 16 HA GLN 16 9.224 0.824 2.289 110 1HB GLN 16 2HB GLN 16 7.079 0.422 3.808 111 2HB GLN 16 1HB GLN 16 6.591 -0.557 2.432 112 1HG GLN 16 2HG GLN 16 9.195 -0.877 3.904 113 2HG GLN 16 1HG GLN 16 7.742 -1.822 4.223 114 1HE2 GLN 16 1HE2 GLN 16 10.500 -1.446 2.268 115 2HE2 GLN 16 2HE2 GLN 16 10.199 -2.754 1.180 116 H THR 17 H THR 17 6.077 0.642 0.595 117 HA THR 17 HA THR 17 7.053 -1.088 -1.425 118 HB THR 17 HB THR 17 4.592 0.649 -1.539 119 HG1 THR 17 1HG THR 17 4.495 -0.540 0.345 120 1HG2 THR 17 1HG2 THR 17 5.511 -1.734 -3.051 121 2HG2 THR 17 2HG2 THR 17 4.632 -0.308 -3.603 122 3HG2 THR 17 3HG2 THR 17 3.793 -1.565 -2.694 123 H GLY 18 H GLY 18 5.901 2.244 -1.704 124 1HA GLY 18 2HA GLY 18 7.505 3.819 -2.768 125 2HA GLY 18 1HA GLY 18 7.680 2.576 -3.969 126 H CYS 19 H CYS 19 6.456 2.641 -5.658 127 HA CYS 19 HA CYS 19 5.113 4.524 -6.764 128 1HB CYS 19 2HB CYS 19 3.613 2.949 -7.863 129 2HB CYS 19 1HB CYS 19 5.302 2.492 -7.863 130 HA PRO 20 HA PRO 20 1.663 5.970 -4.403 131 1HB PRO 20 2HB PRO 20 0.043 6.815 -6.458 132 2HB PRO 20 1HB PRO 20 1.410 7.735 -5.820 133 1HG PRO 20 2HG PRO 20 1.268 5.983 -8.241 134 2HG PRO 20 1HG PRO 20 2.060 7.557 -8.041 135 1HD PRO 20 2HD PRO 20 3.461 5.269 -8.002 136 2HD PRO 20 1HD PRO 20 3.894 6.640 -6.958 137 H TYR 21 H TYR 21 1.366 3.426 -6.717 138 HA TYR 21 HA TYR 21 -1.387 2.922 -6.454 139 1HB TYR 21 2HB TYR 21 0.422 0.665 -7.049 140 2HB TYR 21 1HB TYR 21 -0.999 1.234 -7.890 141 HD1 TYR 21 1HD TYR 21 2.139 0.504 -8.593 142 HD2 TYR 21 2HD TYR 21 -0.373 3.937 -8.665 143 HE1 TYR 21 1HE TYR 21 3.554 1.495 -10.342 144 HE2 TYR 21 2HE TYR 21 1.036 4.939 -10.414 145 HH TYR 21 HH TYR 21 3.414 3.160 -12.102 146 H GLY 22 H GLY 22 -2.267 0.896 -5.511 147 1HA GLY 22 2HA GLY 22 -0.882 -0.479 -3.452 148 2HA GLY 22 1HA GLY 22 -1.898 0.765 -2.765 149 H LYS 23 H LYS 23 -2.161 -2.103 -2.398 150 HA LYS 23 HA LYS 23 -4.571 -2.745 -3.910 151 1HB LYS 23 2HB LYS 23 -2.481 -4.322 -3.142 152 2HB LYS 23 1HB LYS 23 -3.640 -4.649 -1.861 153 1HG LYS 23 2HG LYS 23 -4.696 -4.727 -4.613 154 2HG LYS 23 1HG LYS 23 -3.555 -6.000 -4.174 155 1HD LYS 23 2HD LYS 23 -4.932 -6.571 -2.236 156 2HD LYS 23 1HD LYS 23 -6.067 -5.287 -2.659 157 1HE LYS 23 2HE LYS 23 -5.470 -7.219 -4.801 158 2HE LYS 23 1HE LYS 23 -6.341 -7.870 -3.412 159 1HZ LYS 23 1HZ LYS 23 -7.588 -6.765 -5.426 160 2HZ LYS 23 2HZ LYS 23 -7.283 -5.348 -4.555 161 3HZ LYS 23 3HZ LYS 23 -8.162 -6.605 -3.842 162 H CYS 24 H CYS 24 -4.064 -0.832 -1.487 163 HA CYS 24 HA CYS 24 -5.464 -1.686 0.735 164 1HB CYS 24 2HB CYS 24 -4.471 0.298 1.213 165 2HB CYS 24 1HB CYS 24 -4.646 0.896 -0.426 166 H MET 25 H MET 25 -7.469 -2.363 0.954 167 HA MET 25 HA MET 25 -9.509 -1.472 -0.964 168 1HB MET 25 2HB MET 25 -9.116 -3.940 0.664 169 2HB MET 25 1HB MET 25 -10.765 -3.447 0.300 170 1HG MET 25 2HG MET 25 -9.753 -3.266 -2.149 171 2HG MET 25 1HG MET 25 -8.647 -4.472 -1.493 172 1HE MET 25 1HE MET 25 -11.301 -4.130 -3.681 173 2HE MET 25 2HE MET 25 -11.994 -5.751 -3.711 174 3HE MET 25 3HE MET 25 -10.261 -5.528 -3.951 175 H ASN 26 H ASN 26 -11.435 -0.599 -0.294 176 HA ASN 26 HA ASN 26 -11.517 1.172 1.753 177 1HB ASN 26 2HB ASN 26 -14.132 0.540 1.751 178 2HB ASN 26 1HB ASN 26 -13.364 1.500 0.496 179 1HD2 ASN 26 1HD2 ASN 26 -13.746 0.886 -1.504 180 2HD2 ASN 26 2HD2 ASN 26 -14.216 -0.697 -2.012 181 H ARG 27 H ARG 27 -11.342 1.055 3.839 182 HA ARG 27 HA ARG 27 -11.653 0.414 6.010 183 1HB ARG 27 2HB ARG 27 -13.855 -0.710 4.747 184 2HB ARG 27 1HB ARG 27 -13.162 -1.983 5.752 185 1HG ARG 27 2HG ARG 27 -14.853 -0.458 6.812 186 2HG ARG 27 1HG ARG 27 -13.382 -0.726 7.707 187 1HD ARG 27 2HD ARG 27 -13.301 1.567 5.893 188 2HD ARG 27 1HD ARG 27 -14.525 1.706 7.154 189 HE ARG 27 HE ARG 27 -12.020 0.878 8.218 190 1HH1 ARG 27 1HH1 ARG 27 -13.762 3.673 7.061 191 2HH1 ARG 27 2HH1 ARG 27 -12.850 4.793 8.016 192 1HH2 ARG 27 1HH2 ARG 27 -10.820 2.350 9.476 193 2HH2 ARG 27 2HH2 ARG 27 -11.179 4.042 9.386 194 H LYS 28 H LYS 28 -9.572 -0.562 4.219 195 HA LYS 28 HA LYS 28 -8.151 -2.213 5.914 196 1HB LYS 28 2HB LYS 28 -10.064 -3.677 4.251 197 2HB LYS 28 1HB LYS 28 -8.416 -4.263 4.088 198 1HG LYS 28 2HG LYS 28 -9.324 -3.802 6.846 199 2HG LYS 28 1HG LYS 28 -10.141 -5.101 5.976 200 1HD LYS 28 2HD LYS 28 -7.144 -4.843 6.136 201 2HD LYS 28 1HD LYS 28 -8.098 -5.786 7.284 202 1HE LYS 28 2HE LYS 28 -8.507 -7.436 5.792 203 2HE LYS 28 1HE LYS 28 -8.613 -6.322 4.430 204 1HZ LYS 28 1HZ LYS 28 -6.695 -7.636 4.107 205 2HZ LYS 28 2HZ LYS 28 -6.158 -7.398 5.693 206 3HZ LYS 28 3HZ LYS 28 -6.140 -6.114 4.594 207 H CYS 29 H CYS 29 -6.451 -0.961 5.262 208 HA CYS 29 HA CYS 29 -5.751 -0.524 2.565 209 1HB CYS 29 2HB CYS 29 -4.823 1.127 3.764 210 2HB CYS 29 1HB CYS 29 -4.731 0.156 5.211 211 H LYS 30 H LYS 30 -3.604 -1.137 1.670 212 HA LYS 30 HA LYS 30 -2.004 -3.207 2.463 213 1HB LYS 30 2HB LYS 30 -4.605 -4.161 1.533 214 2HB LYS 30 1HB LYS 30 -3.262 -4.883 0.658 215 1HG LYS 30 2HG LYS 30 -3.050 -4.793 3.607 216 2HG LYS 30 1HG LYS 30 -4.231 -5.906 2.911 217 1HD LYS 30 2HD LYS 30 -2.539 -7.012 1.634 218 2HD LYS 30 1HD LYS 30 -1.340 -5.793 2.069 219 1HE LYS 30 2HE LYS 30 -0.846 -7.590 3.471 220 2HE LYS 30 1HE LYS 30 -1.785 -6.503 4.492 221 1HZ LYS 30 1HZ LYS 30 -2.975 -8.791 3.030 222 2HZ LYS 30 2HZ LYS 30 -3.696 -7.856 4.240 223 3HZ LYS 30 3HZ LYS 30 -2.421 -8.898 4.625 224 H CYS 31 H CYS 31 -0.541 -1.969 1.363 225 HA CYS 31 HA CYS 31 -0.416 -0.829 -1.062 226 1HB CYS 31 2HB CYS 31 1.585 -2.373 0.503 227 2HB CYS 31 1HB CYS 31 2.005 -1.916 -1.143 228 H ASN 32 H ASN 32 0.584 -1.427 -3.056 229 HA ASN 32 HA ASN 32 -0.617 -3.838 -4.140 230 1HB ASN 32 2HB ASN 32 -0.630 -1.381 -5.048 231 2HB ASN 32 1HB ASN 32 0.890 -1.872 -5.745 232 1HD2 ASN 32 1HD2 ASN 32 -1.443 -1.128 -7.179 233 2HD2 ASN 32 2HD2 ASN 32 -1.957 -2.502 -8.092 234 H ARG 33 H ARG 33 0.754 -4.699 -6.076 235 HA ARG 33 HA ARG 33 3.168 -5.714 -4.929 236 1HB ARG 33 2HB ARG 33 3.171 -7.412 -6.496 237 2HB ARG 33 1HB ARG 33 1.467 -7.109 -6.197 238 1HG ARG 33 2HG ARG 33 3.118 -6.415 -8.566 239 2HG ARG 33 1HG ARG 33 1.593 -7.297 -8.489 240 1HD ARG 33 2HD ARG 33 0.346 -5.375 -8.230 241 2HD ARG 33 1HD ARG 33 1.715 -4.470 -7.585 242 HE ARG 33 HE ARG 33 2.501 -4.895 -10.102 243 1HH1 ARG 33 1HH1 ARG 33 -0.548 -3.762 -8.833 244 2HH1 ARG 33 2HH1 ARG 33 -0.912 -2.803 -10.228 245 1HH2 ARG 33 1HH2 ARG 33 2.021 -3.635 -11.935 246 2HH2 ARG 33 2HH2 ARG 33 0.544 -2.732 -11.988 247 H CYS 34 H CYS 34 4.349 -3.813 -4.815 248 HA CYS 34 HA CYS 34 5.354 -2.800 -7.370 249 1HB CYS 34 2HB CYS 34 4.449 -1.435 -5.242 250 2HB CYS 34 1HB CYS 34 6.174 -1.446 -4.915 Start of MODEL 19 1 1H VAL 1 1HT VAL 1 -1.967 11.249 -4.569 2 2H VAL 1 2HT VAL 1 -3.514 11.227 -3.827 3 3H VAL 1 3HT VAL 1 -2.614 9.775 -3.982 4 HA VAL 1 HA VAL 1 -1.064 10.418 -2.434 5 HB VAL 1 HB VAL 1 -1.205 12.698 -1.359 6 1HG1 VAL 1 1HG1 VAL 1 -0.514 12.646 -4.295 7 2HG1 VAL 1 2HG1 VAL 1 0.530 12.085 -2.989 8 3HG1 VAL 1 3HG1 VAL 1 0.092 13.789 -3.097 9 1HG2 VAL 1 1HG2 VAL 1 -2.517 14.377 -2.181 10 2HG2 VAL 1 2HG2 VAL 1 -3.556 12.997 -2.536 11 3HG2 VAL 1 3HG2 VAL 1 -2.558 13.700 -3.808 12 H SER 2 H SER 2 -1.420 9.887 -0.336 13 HA SER 2 HA SER 2 -2.533 9.279 1.549 14 1HB SER 2 2HB SER 2 -4.013 10.804 2.493 15 2HB SER 2 1HB SER 2 -3.135 11.821 1.351 16 HG SER 2 HG SER 2 -5.179 12.269 0.863 17 H CYS 3 H CYS 3 -3.657 7.478 1.856 18 HA CYS 3 HA CYS 3 -5.184 6.252 -0.150 19 1HB CYS 3 2HB CYS 3 -4.830 5.732 2.771 20 2HB CYS 3 1HB CYS 3 -6.021 4.827 1.866 21 H THR 4 H THR 4 -7.371 5.267 0.772 22 HA THR 4 HA THR 4 -9.206 7.530 0.777 23 HB THR 4 HB THR 4 -10.874 6.019 0.043 24 HG1 THR 4 1HG THR 4 -10.552 4.351 1.519 25 1HG2 THR 4 1HG2 THR 4 -9.469 6.326 -1.800 26 2HG2 THR 4 2HG2 THR 4 -9.727 4.583 -1.711 27 3HG2 THR 4 3HG2 THR 4 -8.215 5.283 -1.129 28 H GLY 5 H GLY 5 -7.641 6.597 3.167 29 1HA GLY 5 2HA GLY 5 -9.745 6.889 5.089 30 2HA GLY 5 1HA GLY 5 -9.053 5.270 5.089 31 H SER 6 H SER 6 -8.723 8.459 6.190 32 HA SER 6 HA SER 6 -7.289 9.367 7.722 33 1HB SER 6 2HB SER 6 -5.377 7.091 7.701 34 2HB SER 6 1HB SER 6 -6.014 8.015 9.061 35 HG SER 6 HG SER 6 -6.796 5.645 8.217 36 H LYS 7 H LYS 7 -4.756 9.816 7.894 37 HA LYS 7 HA LYS 7 -3.687 10.020 5.160 38 1HB LYS 7 2HB LYS 7 -4.240 12.170 7.125 39 2HB LYS 7 1HB LYS 7 -2.722 12.290 6.246 40 1HG LYS 7 2HG LYS 7 -4.124 13.487 4.890 41 2HG LYS 7 1HG LYS 7 -4.225 11.886 4.155 42 1HD LYS 7 2HD LYS 7 -6.171 12.184 6.271 43 2HD LYS 7 1HD LYS 7 -6.342 13.463 5.068 44 1HE LYS 7 2HE LYS 7 -5.916 10.885 3.825 45 2HE LYS 7 1HE LYS 7 -7.313 10.860 4.900 46 1HZ LYS 7 1HZ LYS 7 -6.845 12.592 2.549 47 2HZ LYS 7 2HZ LYS 7 -8.008 12.973 3.716 48 3HZ LYS 7 3HZ LYS 7 -8.134 11.534 2.835 49 H ASP 8 H ASP 8 -2.913 7.995 6.812 50 HA ASP 8 HA ASP 8 -0.107 8.621 7.168 51 1HB ASP 8 2HB ASP 8 -1.614 8.954 9.374 52 2HB ASP 8 1HB ASP 8 -1.273 7.233 9.514 53 H CYS 9 H CYS 9 -1.871 6.819 5.521 54 HA CYS 9 HA CYS 9 -0.711 4.250 6.322 55 1HB CYS 9 2HB CYS 9 -3.286 4.698 6.004 56 2HB CYS 9 1HB CYS 9 -2.875 4.357 4.336 57 H TYR 10 H TYR 10 -1.853 5.705 3.305 58 HA TYR 10 HA TYR 10 -0.363 4.261 1.531 59 1HB TYR 10 2HB TYR 10 -1.945 6.572 1.419 60 2HB TYR 10 1HB TYR 10 -0.403 7.047 0.718 61 HD1 TYR 10 1HD TYR 10 0.156 4.150 -0.371 62 HD2 TYR 10 2HD TYR 10 -3.139 6.823 -0.668 63 HE1 TYR 10 1HE TYR 10 -0.493 3.106 -2.499 64 HE2 TYR 10 2HE TYR 10 -3.799 5.785 -2.795 65 HH TYR 10 HH TYR 10 -3.183 3.097 -3.800 66 H ALA 11 H ALA 11 0.721 6.783 3.663 67 HA ALA 11 HA ALA 11 3.188 7.309 2.334 68 1HB ALA 11 1HB ALA 11 3.701 8.127 4.841 69 2HB ALA 11 2HB ALA 11 1.939 8.093 4.887 70 3HB ALA 11 3HB ALA 11 2.771 9.071 3.678 71 HA PRO 12 HA PRO 12 5.326 4.677 5.844 72 1HB PRO 12 2HB PRO 12 3.503 2.909 7.025 73 2HB PRO 12 1HB PRO 12 4.185 4.355 7.775 74 1HG PRO 12 2HG PRO 12 1.550 3.976 6.437 75 2HG PRO 12 1HG PRO 12 1.967 4.969 7.845 76 1HD PRO 12 2HD PRO 12 1.548 6.070 5.439 77 2HD PRO 12 1HD PRO 12 2.799 6.697 6.534 78 H CYS 13 H CYS 13 2.698 3.605 3.832 79 HA CYS 13 HA CYS 13 3.898 1.003 3.404 80 1HB CYS 13 2HB CYS 13 1.308 1.980 3.312 81 2HB CYS 13 1HB CYS 13 1.714 1.588 1.654 82 H ARG 14 H ARG 14 3.107 3.895 1.477 83 HA ARG 14 HA ARG 14 4.022 3.055 -0.965 84 1HB ARG 14 2HB ARG 14 2.922 5.189 -0.729 85 2HB ARG 14 1HB ARG 14 4.227 5.799 0.278 86 1HG ARG 14 2HG ARG 14 5.484 5.027 -2.069 87 2HG ARG 14 1HG ARG 14 3.969 5.755 -2.602 88 1HD ARG 14 2HD ARG 14 4.469 7.744 -1.247 89 2HD ARG 14 1HD ARG 14 5.999 7.015 -0.760 90 HE ARG 14 HE ARG 14 6.884 7.683 -2.750 91 1HH1 ARG 14 1HH1 ARG 14 3.408 7.618 -3.067 92 2HH1 ARG 14 2HH1 ARG 14 3.416 8.295 -4.661 93 1HH2 ARG 14 1HH2 ARG 14 6.895 8.574 -4.846 94 2HH2 ARG 14 2HH2 ARG 14 5.396 8.838 -5.671 95 H LYS 15 H LYS 15 5.845 4.079 1.827 96 HA LYS 15 HA LYS 15 8.359 4.386 0.600 97 1HB LYS 15 2HB LYS 15 7.307 4.221 3.301 98 2HB LYS 15 1HB LYS 15 8.849 3.388 3.167 99 1HG LYS 15 2HG LYS 15 9.639 5.448 3.633 100 2HG LYS 15 1HG LYS 15 9.485 5.638 1.885 101 1HD LYS 15 2HD LYS 15 7.395 6.769 2.118 102 2HD LYS 15 1HD LYS 15 7.316 6.385 3.839 103 1HE LYS 15 2HE LYS 15 8.135 8.474 4.068 104 2HE LYS 15 1HE LYS 15 9.676 7.679 3.749 105 1HZ LYS 15 1HZ LYS 15 8.006 8.816 1.585 106 2HZ LYS 15 2HZ LYS 15 9.636 8.371 1.522 107 3HZ LYS 15 3HZ LYS 15 9.167 9.733 2.406 108 H GLN 16 H GLN 16 6.823 1.584 2.161 109 HA GLN 16 HA GLN 16 8.984 -0.193 1.633 110 1HB GLN 16 2HB GLN 16 6.863 -0.302 3.283 111 2HB GLN 16 1HB GLN 16 6.250 -1.293 1.965 112 1HG GLN 16 2HG GLN 16 7.617 -2.999 2.443 113 2HG GLN 16 1HG GLN 16 8.979 -1.940 2.807 114 1HE2 GLN 16 1HE2 GLN 16 8.183 -0.449 4.846 115 2HE2 GLN 16 2HE2 GLN 16 7.772 -1.415 6.218 116 H THR 17 H THR 17 5.779 0.200 0.126 117 HA THR 17 HA THR 17 6.243 -1.717 -1.908 118 HB THR 17 HB THR 17 4.198 0.473 -1.597 119 HG1 THR 17 1HG THR 17 4.220 -1.490 -0.233 120 1HG2 THR 17 1HG2 THR 17 2.904 -0.506 -3.364 121 2HG2 THR 17 2HG2 THR 17 4.147 -1.724 -3.647 122 3HG2 THR 17 3HG2 THR 17 4.481 -0.029 -3.992 123 H GLY 18 H GLY 18 5.850 1.786 -2.191 124 1HA GLY 18 2HA GLY 18 7.698 2.984 -3.327 125 2HA GLY 18 1HA GLY 18 7.598 1.709 -4.507 126 H CYS 19 H CYS 19 6.473 2.087 -6.224 127 HA CYS 19 HA CYS 19 5.479 4.219 -7.255 128 1HB CYS 19 2HB CYS 19 3.615 2.842 -8.294 129 2HB CYS 19 1HB CYS 19 5.293 2.467 -8.611 130 HA PRO 20 HA PRO 20 2.277 6.234 -4.990 131 1HB PRO 20 2HB PRO 20 0.975 6.627 -7.638 132 2HB PRO 20 1HB PRO 20 1.388 7.815 -6.396 133 1HG PRO 20 2HG PRO 20 2.847 7.614 -8.608 134 2HG PRO 20 1HG PRO 20 3.618 7.904 -7.037 135 1HD PRO 20 2HD PRO 20 3.461 5.386 -8.638 136 2HD PRO 20 1HD PRO 20 4.793 6.014 -7.645 137 H TYR 21 H TYR 21 1.576 3.534 -7.049 138 HA TYR 21 HA TYR 21 -1.196 3.396 -6.622 139 1HB TYR 21 2HB TYR 21 0.306 0.891 -7.074 140 2HB TYR 21 1HB TYR 21 -1.089 1.542 -7.896 141 HD1 TYR 21 1HD TYR 21 1.887 0.385 -8.692 142 HD2 TYR 21 2HD TYR 21 -0.201 4.084 -8.942 143 HE1 TYR 21 1HE TYR 21 3.298 1.045 -10.595 144 HE2 TYR 21 2HE TYR 21 1.205 4.755 -10.845 145 HH TYR 21 HH TYR 21 4.042 3.106 -11.707 146 H GLY 22 H GLY 22 -2.259 1.577 -5.465 147 1HA GLY 22 2HA GLY 22 -0.911 0.320 -3.272 148 2HA GLY 22 1HA GLY 22 -1.902 1.665 -2.750 149 H LYS 23 H LYS 23 -2.316 -1.081 -1.987 150 HA LYS 23 HA LYS 23 -4.777 -1.706 -3.455 151 1HB LYS 23 2HB LYS 23 -2.715 -3.346 -2.178 152 2HB LYS 23 1HB LYS 23 -4.349 -3.823 -1.740 153 1HG LYS 23 2HG LYS 23 -4.670 -3.604 -4.381 154 2HG LYS 23 1HG LYS 23 -2.951 -3.996 -4.334 155 1HD LYS 23 2HD LYS 23 -5.072 -5.590 -2.905 156 2HD LYS 23 1HD LYS 23 -4.482 -5.975 -4.522 157 1HE LYS 23 2HE LYS 23 -2.153 -6.001 -3.484 158 2HE LYS 23 1HE LYS 23 -2.974 -6.013 -1.923 159 1HZ LYS 23 1HZ LYS 23 -2.749 -8.117 -3.916 160 2HZ LYS 23 2HZ LYS 23 -4.247 -7.991 -3.142 161 3HZ LYS 23 3HZ LYS 23 -2.843 -8.226 -2.230 162 H CYS 24 H CYS 24 -4.143 0.287 -1.230 163 HA CYS 24 HA CYS 24 -5.632 -0.607 1.039 164 1HB CYS 24 2HB CYS 24 -5.181 1.543 1.961 165 2HB CYS 24 1HB CYS 24 -3.741 1.064 1.079 166 H MET 25 H MET 25 -7.646 0.006 1.704 167 HA MET 25 HA MET 25 -9.311 1.711 0.058 168 1HB MET 25 2HB MET 25 -11.087 -0.122 -0.053 169 2HB MET 25 1HB MET 25 -9.725 -0.268 -1.155 170 1HG MET 25 2HG MET 25 -8.802 -2.039 0.012 171 2HG MET 25 1HG MET 25 -9.677 -1.649 1.493 172 1HE MET 25 1HE MET 25 -10.775 -3.352 -2.352 173 2HE MET 25 2HE MET 25 -10.364 -4.747 -1.355 174 3HE MET 25 3HE MET 25 -9.230 -3.405 -1.503 175 H ASN 26 H ASN 26 -11.169 2.403 1.095 176 HA ASN 26 HA ASN 26 -11.060 2.967 3.751 177 1HB ASN 26 2HB ASN 26 -13.813 2.403 2.843 178 2HB ASN 26 1HB ASN 26 -13.146 3.850 3.580 179 1HD2 ASN 26 1HD2 ASN 26 -13.628 2.115 0.596 180 2HD2 ASN 26 2HD2 ASN 26 -13.343 3.454 -0.458 181 H ARG 27 H ARG 27 -10.988 1.797 5.505 182 HA ARG 27 HA ARG 27 -11.506 0.254 7.100 183 1HB ARG 27 2HB ARG 27 -13.836 0.345 5.650 184 2HB ARG 27 1HB ARG 27 -13.397 -1.355 5.537 185 1HG ARG 27 2HG ARG 27 -13.051 -0.501 8.232 186 2HG ARG 27 1HG ARG 27 -14.648 -0.002 7.674 187 1HD ARG 27 2HD ARG 27 -14.788 -2.429 6.750 188 2HD ARG 27 1HD ARG 27 -13.490 -2.750 7.899 189 HE ARG 27 HE ARG 27 -16.258 -2.265 8.500 190 1HH1 ARG 27 1HH1 ARG 27 -12.998 -2.138 9.738 191 2HH1 ARG 27 2HH1 ARG 27 -13.490 -2.251 11.395 192 1HH2 ARG 27 1HH2 ARG 27 -16.907 -2.411 10.677 193 2HH2 ARG 27 2HH2 ARG 27 -15.709 -2.406 11.928 194 H LYS 28 H LYS 28 -9.518 -0.062 4.996 195 HA LYS 28 HA LYS 28 -8.439 -2.501 5.641 196 1HB LYS 28 2HB LYS 28 -10.542 -2.751 3.626 197 2HB LYS 28 1HB LYS 28 -9.007 -3.422 3.093 198 1HG LYS 28 2HG LYS 28 -9.901 -4.150 5.813 199 2HG LYS 28 1HG LYS 28 -10.814 -4.822 4.461 200 1HD LYS 28 2HD LYS 28 -8.637 -5.597 3.493 201 2HD LYS 28 1HD LYS 28 -7.859 -5.093 4.994 202 1HE LYS 28 2HE LYS 28 -10.221 -6.903 5.135 203 2HE LYS 28 1HE LYS 28 -8.668 -7.574 4.640 204 1HZ LYS 28 1HZ LYS 28 -9.257 -7.595 7.110 205 2HZ LYS 28 2HZ LYS 28 -8.906 -5.941 7.087 206 3HZ LYS 28 3HZ LYS 28 -7.710 -7.063 6.676 207 H CYS 29 H CYS 29 -6.660 -1.158 5.567 208 HA CYS 29 HA CYS 29 -5.773 0.017 3.115 209 1HB CYS 29 2HB CYS 29 -5.399 0.813 5.549 210 2HB CYS 29 1HB CYS 29 -4.039 -0.280 5.489 211 H LYS 30 H LYS 30 -3.614 -0.423 2.232 212 HA LYS 30 HA LYS 30 -1.900 -2.434 2.735 213 1HB LYS 30 2HB LYS 30 -2.741 -4.259 1.109 214 2HB LYS 30 1HB LYS 30 -3.416 -4.201 2.729 215 1HG LYS 30 2HG LYS 30 -5.068 -2.562 1.183 216 2HG LYS 30 1HG LYS 30 -4.734 -3.978 0.186 217 1HD LYS 30 2HD LYS 30 -5.226 -5.157 2.567 218 2HD LYS 30 1HD LYS 30 -6.268 -3.739 2.689 219 1HE LYS 30 2HE LYS 30 -6.263 -5.571 0.303 220 2HE LYS 30 1HE LYS 30 -7.317 -5.816 1.695 221 1HZ LYS 30 1HZ LYS 30 -8.617 -4.602 0.239 222 2HZ LYS 30 2HZ LYS 30 -7.338 -3.620 -0.273 223 3HZ LYS 30 3HZ LYS 30 -8.012 -3.399 1.263 224 H CYS 31 H CYS 31 -0.539 -1.047 1.689 225 HA CYS 31 HA CYS 31 -0.697 0.203 -0.748 226 1HB CYS 31 2HB CYS 31 1.852 -0.359 -0.895 227 2HB CYS 31 1HB CYS 31 1.245 0.732 0.338 228 H ASN 32 H ASN 32 0.701 -0.308 -2.608 229 HA ASN 32 HA ASN 32 -0.428 -2.613 -3.911 230 1HB ASN 32 2HB ASN 32 0.004 -0.196 -4.787 231 2HB ASN 32 1HB ASN 32 1.585 -0.836 -5.152 232 1HD2 ASN 32 1HD2 ASN 32 -1.715 -2.103 -5.383 233 2HD2 ASN 32 2HD2 ASN 32 -1.607 -2.566 -7.044 234 H ARG 33 H ARG 33 1.156 -3.654 -5.573 235 HA ARG 33 HA ARG 33 3.481 -4.643 -4.059 236 1HB ARG 33 2HB ARG 33 1.420 -6.142 -4.953 237 2HB ARG 33 1HB ARG 33 2.461 -6.203 -6.368 238 1HG ARG 33 2HG ARG 33 2.945 -8.101 -5.022 239 2HG ARG 33 1HG ARG 33 4.307 -6.988 -4.888 240 1HD ARG 33 2HD ARG 33 4.007 -7.523 -2.684 241 2HD ARG 33 1HD ARG 33 2.957 -6.113 -2.806 242 HE ARG 33 HE ARG 33 1.144 -7.470 -2.461 243 1HH1 ARG 33 1HH1 ARG 33 3.916 -9.449 -3.217 244 2HH1 ARG 33 2HH1 ARG 33 3.115 -10.937 -2.838 245 1HH2 ARG 33 1HH2 ARG 33 0.088 -9.426 -1.961 246 2HH2 ARG 33 2HH2 ARG 33 0.942 -10.924 -2.125 247 H CYS 34 H CYS 34 4.913 -3.097 -4.764 248 HA CYS 34 HA CYS 34 5.339 -2.764 -7.615 249 1HB CYS 34 2HB CYS 34 5.434 -1.052 -5.494 250 2HB CYS 34 1HB CYS 34 7.126 -1.336 -5.846 Start of MODEL 20 1 1H VAL 1 1HT VAL 1 -9.458 6.841 -3.533 2 2H VAL 1 2HT VAL 1 -9.359 7.043 -5.230 3 3H VAL 1 3HT VAL 1 -9.268 5.472 -4.549 4 HA VAL 1 HA VAL 1 -11.569 7.201 -4.309 5 HB VAL 1 HB VAL 1 -11.163 4.866 -6.005 6 1HG1 VAL 1 1HG1 VAL 1 -13.518 6.594 -5.517 7 2HG1 VAL 1 2HG1 VAL 1 -13.440 4.861 -5.831 8 3HG1 VAL 1 3HG1 VAL 1 -13.304 6.006 -7.166 9 1HG2 VAL 1 1HG2 VAL 1 -10.658 7.691 -6.606 10 2HG2 VAL 1 2HG2 VAL 1 -11.539 6.817 -7.859 11 3HG2 VAL 1 3HG2 VAL 1 -9.961 6.239 -7.324 12 H SER 2 H SER 2 -10.029 5.466 -2.932 13 HA SER 2 HA SER 2 -11.849 4.347 -1.104 14 1HB SER 2 2HB SER 2 -10.619 2.441 -3.086 15 2HB SER 2 1HB SER 2 -11.116 1.900 -1.483 16 HG SER 2 HG SER 2 -12.715 2.985 -3.547 17 H CYS 3 H CYS 3 -10.905 3.877 0.825 18 HA CYS 3 HA CYS 3 -8.368 2.939 1.361 19 1HB CYS 3 2HB CYS 3 -8.129 5.503 0.321 20 2HB CYS 3 1HB CYS 3 -7.947 5.714 2.039 21 H THR 4 H THR 4 -7.547 4.367 3.401 22 HA THR 4 HA THR 4 -9.576 3.757 5.411 23 HB THR 4 HB THR 4 -7.426 2.809 5.850 24 HG1 THR 4 1HG THR 4 -8.588 3.886 7.626 25 1HG2 THR 4 1HG2 THR 4 -5.943 4.161 4.577 26 2HG2 THR 4 2HG2 THR 4 -5.437 4.244 6.264 27 3HG2 THR 4 3HG2 THR 4 -6.324 5.587 5.542 28 H GLY 5 H GLY 5 -9.635 6.223 3.690 29 1HA GLY 5 2HA GLY 5 -10.057 8.472 3.899 30 2HA GLY 5 1HA GLY 5 -10.750 8.016 5.446 31 H SER 6 H SER 6 -7.366 7.514 4.809 32 HA SER 6 HA SER 6 -6.714 9.874 6.441 33 1HB SER 6 2HB SER 6 -5.041 7.424 6.744 34 2HB SER 6 1HB SER 6 -5.413 8.686 7.919 35 HG SER 6 HG SER 6 -7.629 7.765 7.832 36 H LYS 7 H LYS 7 -4.138 10.055 6.424 37 HA LYS 7 HA LYS 7 -3.221 9.682 3.654 38 1HB LYS 7 2HB LYS 7 -2.057 11.926 3.913 39 2HB LYS 7 1HB LYS 7 -3.804 11.972 3.720 40 1HG LYS 7 2HG LYS 7 -3.437 13.495 5.413 41 2HG LYS 7 1HG LYS 7 -3.853 12.028 6.303 42 1HD LYS 7 2HD LYS 7 -0.992 12.359 5.706 43 2HD LYS 7 1HD LYS 7 -1.673 13.560 6.806 44 1HE LYS 7 2HE LYS 7 -2.442 10.768 7.339 45 2HE LYS 7 1HE LYS 7 -0.736 11.141 7.577 46 1HZ LYS 7 1HZ LYS 7 -2.574 11.506 9.447 47 2HZ LYS 7 2HZ LYS 7 -2.639 13.027 8.711 48 3HZ LYS 7 3HZ LYS 7 -1.176 12.454 9.339 49 H ASP 8 H ASP 8 -2.695 8.172 6.119 50 HA ASP 8 HA ASP 8 0.226 8.517 6.187 51 1HB ASP 8 2HB ASP 8 -0.930 9.288 8.302 52 2HB ASP 8 1HB ASP 8 -1.427 7.616 8.549 53 H CYS 9 H CYS 9 -1.537 6.760 4.590 54 HA CYS 9 HA CYS 9 -0.708 4.139 5.609 55 1HB CYS 9 2HB CYS 9 -3.174 4.821 4.964 56 2HB CYS 9 1HB CYS 9 -2.609 4.353 3.373 57 H TYR 10 H TYR 10 -1.337 5.582 2.436 58 HA TYR 10 HA TYR 10 0.276 3.913 0.936 59 1HB TYR 10 2HB TYR 10 -0.630 6.748 0.569 60 2HB TYR 10 1HB TYR 10 0.488 6.031 -0.584 61 HD1 TYR 10 1HD TYR 10 -1.683 3.560 0.761 62 HD2 TYR 10 2HD TYR 10 -1.494 6.678 -2.129 63 HE1 TYR 10 1HE TYR 10 -3.573 2.553 -0.443 64 HE2 TYR 10 2HE TYR 10 -3.386 5.678 -3.340 65 HH TYR 10 HH TYR 10 -5.430 4.045 -2.534 66 H ALA 11 H ALA 11 1.191 6.462 3.084 67 HA ALA 11 HA ALA 11 3.766 6.977 1.998 68 1HB ALA 11 1HB ALA 11 2.346 7.672 4.509 69 2HB ALA 11 2HB ALA 11 3.127 8.715 3.322 70 3HB ALA 11 3HB ALA 11 4.103 7.817 4.484 71 HA PRO 12 HA PRO 12 5.460 4.262 5.718 72 1HB PRO 12 2HB PRO 12 3.507 2.383 6.468 73 2HB PRO 12 1HB PRO 12 4.058 3.761 7.420 74 1HG PRO 12 2HG PRO 12 1.643 3.483 5.712 75 2HG PRO 12 1HG PRO 12 1.866 4.407 7.207 76 1HD PRO 12 2HD PRO 12 1.767 5.613 4.810 77 2HD PRO 12 1HD PRO 12 2.836 6.201 6.102 78 H CYS 13 H CYS 13 3.183 3.173 3.299 79 HA CYS 13 HA CYS 13 4.617 0.676 2.902 80 1HB CYS 13 2HB CYS 13 2.036 1.770 2.035 81 2HB CYS 13 1HB CYS 13 2.834 0.678 0.920 82 H ARG 14 H ARG 14 3.834 3.597 1.029 83 HA ARG 14 HA ARG 14 5.108 2.960 -1.307 84 1HB ARG 14 2HB ARG 14 3.805 4.986 -1.110 85 2HB ARG 14 1HB ARG 14 4.934 5.646 0.064 86 1HG ARG 14 2HG ARG 14 6.479 5.062 -2.182 87 2HG ARG 14 1HG ARG 14 4.990 5.768 -2.811 88 1HD ARG 14 2HD ARG 14 5.512 7.435 -0.741 89 2HD ARG 14 1HD ARG 14 7.147 6.990 -1.227 90 HE ARG 14 HE ARG 14 5.970 7.636 -3.571 91 1HH1 ARG 14 1HH1 ARG 14 6.233 9.286 -0.508 92 2HH1 ARG 14 2HH1 ARG 14 6.200 10.866 -1.215 93 1HH2 ARG 14 1HH2 ARG 14 5.926 9.714 -4.503 94 2HH2 ARG 14 2HH2 ARG 14 6.025 11.109 -3.482 95 H LYS 15 H LYS 15 6.496 4.063 1.717 96 HA LYS 15 HA LYS 15 9.097 4.598 0.841 97 1HB LYS 15 2HB LYS 15 7.761 4.142 3.377 98 2HB LYS 15 1HB LYS 15 9.361 3.412 3.367 99 1HG LYS 15 2HG LYS 15 9.666 5.573 4.216 100 2HG LYS 15 1HG LYS 15 10.218 5.652 2.542 101 1HD LYS 15 2HD LYS 15 7.638 6.312 2.199 102 2HD LYS 15 1HD LYS 15 7.884 6.920 3.839 103 1HE LYS 15 2HE LYS 15 8.362 8.693 2.305 104 2HE LYS 15 1HE LYS 15 9.883 8.151 3.011 105 1HZ LYS 15 1HZ LYS 15 10.541 7.166 1.051 106 2HZ LYS 15 2HZ LYS 15 9.732 8.537 0.481 107 3HZ LYS 15 3HZ LYS 15 8.967 7.030 0.447 108 H GLN 16 H GLN 16 7.587 1.597 1.980 109 HA GLN 16 HA GLN 16 9.901 -0.013 1.551 110 1HB GLN 16 2HB GLN 16 7.045 -0.495 2.232 111 2HB GLN 16 1HB GLN 16 7.958 -1.842 1.569 112 1HG GLN 16 2HG GLN 16 7.935 -1.796 4.030 113 2HG GLN 16 1HG GLN 16 9.559 -1.707 3.350 114 1HE2 GLN 16 1HE2 GLN 16 10.671 -0.585 4.808 115 2HE2 GLN 16 2HE2 GLN 16 10.243 0.979 5.406 116 H THR 17 H THR 17 6.761 0.041 -0.158 117 HA THR 17 HA THR 17 7.714 -1.478 -2.349 118 HB THR 17 HB THR 17 5.393 -0.045 -3.091 119 HG1 THR 17 1HG THR 17 4.375 0.298 -1.314 120 1HG2 THR 17 1HG2 THR 17 5.602 -2.802 -1.913 121 2HG2 THR 17 2HG2 THR 17 5.821 -2.397 -3.615 122 3HG2 THR 17 3HG2 THR 17 4.252 -2.159 -2.846 123 H GLY 18 H GLY 18 6.502 1.839 -2.300 124 1HA GLY 18 2HA GLY 18 7.539 3.729 -3.219 125 2HA GLY 18 1HA GLY 18 8.587 2.675 -4.109 126 H CYS 19 H CYS 19 5.714 4.354 -4.049 127 HA CYS 19 HA CYS 19 5.235 4.943 -6.526 128 1HB CYS 19 2HB CYS 19 3.621 3.249 -7.408 129 2HB CYS 19 1HB CYS 19 5.325 2.864 -7.465 130 HA PRO 20 HA PRO 20 1.619 6.586 -4.632 131 1HB PRO 20 2HB PRO 20 0.173 7.401 -6.742 132 2HB PRO 20 1HB PRO 20 1.709 8.161 -6.310 133 1HG PRO 20 2HG PRO 20 1.137 6.115 -8.420 134 2HG PRO 20 1HG PRO 20 2.155 7.564 -8.513 135 1HD PRO 20 2HD PRO 20 3.140 5.047 -8.106 136 2HD PRO 20 1HD PRO 20 3.942 6.520 -7.525 137 H TYR 21 H TYR 21 1.332 3.784 -6.595 138 HA TYR 21 HA TYR 21 -1.463 3.478 -6.551 139 1HB TYR 21 2HB TYR 21 0.208 1.051 -6.631 140 2HB TYR 21 1HB TYR 21 -1.053 1.596 -7.709 141 HD1 TYR 21 1HD TYR 21 2.126 0.608 -7.831 142 HD2 TYR 21 2HD TYR 21 -0.163 4.053 -8.828 143 HE1 TYR 21 1HE TYR 21 3.815 1.239 -9.503 144 HE2 TYR 21 2HE TYR 21 1.520 4.694 -10.503 145 HH TYR 21 HH TYR 21 3.838 4.312 -11.023 146 H GLY 22 H GLY 22 -2.586 1.687 -5.429 147 1HA GLY 22 2HA GLY 22 -1.486 0.573 -3.045 148 2HA GLY 22 1HA GLY 22 -2.546 1.911 -2.683 149 H LYS 23 H LYS 23 -2.876 -0.942 -2.006 150 HA LYS 23 HA LYS 23 -5.202 -1.623 -3.643 151 1HB LYS 23 2HB LYS 23 -3.154 -3.213 -2.778 152 2HB LYS 23 1HB LYS 23 -4.375 -3.520 -1.552 153 1HG LYS 23 2HG LYS 23 -5.901 -4.358 -3.124 154 2HG LYS 23 1HG LYS 23 -4.989 -3.700 -4.483 155 1HD LYS 23 2HD LYS 23 -4.387 -5.920 -4.575 156 2HD LYS 23 1HD LYS 23 -3.091 -5.256 -3.579 157 1HE LYS 23 2HE LYS 23 -5.500 -6.173 -2.142 158 2HE LYS 23 1HE LYS 23 -4.527 -7.430 -2.906 159 1HZ LYS 23 1HZ LYS 23 -2.720 -6.957 -1.584 160 2HZ LYS 23 2HZ LYS 23 -3.996 -6.699 -0.505 161 3HZ LYS 23 3HZ LYS 23 -3.230 -5.381 -1.236 162 H CYS 24 H CYS 24 -4.610 0.202 -1.092 163 HA CYS 24 HA CYS 24 -6.161 -0.610 1.021 164 1HB CYS 24 2HB CYS 24 -6.081 1.612 1.766 165 2HB CYS 24 1HB CYS 24 -4.641 1.435 0.785 166 H MET 25 H MET 25 -8.231 -1.015 1.292 167 HA MET 25 HA MET 25 -10.165 0.134 -0.614 168 1HB MET 25 2HB MET 25 -9.768 -2.403 -0.622 169 2HB MET 25 1HB MET 25 -10.582 -2.415 0.937 170 1HG MET 25 2HG MET 25 -12.562 -1.407 -0.113 171 2HG MET 25 1HG MET 25 -11.745 -1.470 -1.672 172 1HE MET 25 1HE MET 25 -12.619 -4.702 -3.065 173 2HE MET 25 2HE MET 25 -10.975 -4.137 -2.761 174 3HE MET 25 3HE MET 25 -12.230 -2.989 -3.230 175 H ASN 26 H ASN 26 -12.089 0.931 0.159 176 HA ASN 26 HA ASN 26 -12.140 2.353 2.476 177 1HB ASN 26 2HB ASN 26 -14.766 1.923 2.313 178 2HB ASN 26 1HB ASN 26 -13.908 2.961 1.184 179 1HD2 ASN 26 1HD2 ASN 26 -15.813 0.187 1.574 180 2HD2 ASN 26 2HD2 ASN 26 -15.792 -0.356 -0.067 181 H ARG 27 H ARG 27 -12.140 1.920 4.534 182 HA ARG 27 HA ARG 27 -12.564 0.939 6.549 183 1HB ARG 27 2HB ARG 27 -14.759 0.177 5.078 184 2HB ARG 27 1HB ARG 27 -14.094 -1.369 5.586 185 1HG ARG 27 2HG ARG 27 -14.089 0.396 7.818 186 2HG ARG 27 1HG ARG 27 -15.685 0.433 7.066 187 1HD ARG 27 2HD ARG 27 -15.431 -2.160 7.048 188 2HD ARG 27 1HD ARG 27 -14.213 -1.866 8.288 189 HE ARG 27 HE ARG 27 -16.720 -0.556 8.798 190 1HH1 ARG 27 1HH1 ARG 27 -14.912 -3.518 9.173 191 2HH1 ARG 27 2HH1 ARG 27 -15.832 -4.053 10.538 192 1HH2 ARG 27 1HH2 ARG 27 -17.931 -1.259 10.595 193 2HH2 ARG 27 2HH2 ARG 27 -17.546 -2.771 11.345 194 H LYS 28 H LYS 28 -10.405 0.235 4.724 195 HA LYS 28 HA LYS 28 -9.036 -1.638 6.183 196 1HB LYS 28 2HB LYS 28 -10.955 -2.884 4.362 197 2HB LYS 28 1HB LYS 28 -9.311 -3.455 4.116 198 1HG LYS 28 2HG LYS 28 -10.229 -3.327 6.913 199 2HG LYS 28 1HG LYS 28 -11.010 -4.530 5.886 200 1HD LYS 28 2HD LYS 28 -8.532 -5.064 5.185 201 2HD LYS 28 1HD LYS 28 -8.159 -4.312 6.738 202 1HE LYS 28 2HE LYS 28 -9.168 -5.977 7.941 203 2HE LYS 28 1HE LYS 28 -10.302 -6.371 6.650 204 1HZ LYS 28 1HZ LYS 28 -7.410 -6.936 6.403 205 2HZ LYS 28 2HZ LYS 28 -8.689 -7.596 5.516 206 3HZ LYS 28 3HZ LYS 28 -8.469 -8.034 7.135 207 H CYS 29 H CYS 29 -7.305 -0.360 5.692 208 HA CYS 29 HA CYS 29 -6.578 0.336 3.040 209 1HB CYS 29 2HB CYS 29 -6.011 1.552 5.227 210 2HB CYS 29 1HB CYS 29 -4.710 0.387 5.345 211 H LYS 30 H LYS 30 -4.440 -0.204 2.093 212 HA LYS 30 HA LYS 30 -2.795 -2.254 2.829 213 1HB LYS 30 2HB LYS 30 -3.649 -4.109 1.278 214 2HB LYS 30 1HB LYS 30 -4.453 -3.905 2.826 215 1HG LYS 30 2HG LYS 30 -6.128 -2.451 1.520 216 2HG LYS 30 1HG LYS 30 -5.436 -3.218 0.090 217 1HD LYS 30 2HD LYS 30 -5.900 -5.435 1.220 218 2HD LYS 30 1HD LYS 30 -6.848 -4.529 2.400 219 1HE LYS 30 2HE LYS 30 -8.543 -4.931 0.974 220 2HE LYS 30 1HE LYS 30 -7.870 -3.558 0.096 221 1HZ LYS 30 1HZ LYS 30 -7.097 -4.872 -1.544 222 2HZ LYS 30 2HZ LYS 30 -8.320 -5.917 -1.022 223 3HZ LYS 30 3HZ LYS 30 -6.725 -6.161 -0.514 224 H CYS 31 H CYS 31 -1.367 -0.905 1.837 225 HA CYS 31 HA CYS 31 -1.260 0.317 -0.574 226 1HB CYS 31 2HB CYS 31 1.231 -0.415 -0.601 227 2HB CYS 31 1HB CYS 31 0.642 0.603 0.708 228 H ASN 32 H ASN 32 0.007 -0.222 -2.469 229 HA ASN 32 HA ASN 32 -1.192 -2.482 -3.777 230 1HB ASN 32 2HB ASN 32 -0.682 -0.078 -4.642 231 2HB ASN 32 1HB ASN 32 0.872 -0.766 -5.019 232 1HD2 ASN 32 1HD2 ASN 32 0.987 -1.245 -7.090 233 2HD2 ASN 32 2HD2 ASN 32 -0.266 -1.962 -8.039 234 H ARG 33 H ARG 33 0.317 -3.584 -5.453 235 HA ARG 33 HA ARG 33 2.601 -4.693 -3.967 236 1HB ARG 33 2HB ARG 33 0.864 -6.338 -4.542 237 2HB ARG 33 1HB ARG 33 1.003 -5.901 -6.239 238 1HG ARG 33 2HG ARG 33 2.165 -7.990 -5.719 239 2HG ARG 33 1HG ARG 33 3.270 -6.745 -6.305 240 1HD ARG 33 2HD ARG 33 2.888 -6.862 -3.384 241 2HD ARG 33 1HD ARG 33 3.715 -8.241 -4.106 242 HE ARG 33 HE ARG 33 4.736 -5.578 -3.799 243 1HH1 ARG 33 1HH1 ARG 33 4.954 -8.509 -5.682 244 2HH1 ARG 33 2HH1 ARG 33 6.576 -8.200 -6.204 245 1HH2 ARG 33 1HH2 ARG 33 6.869 -5.171 -4.485 246 2HH2 ARG 33 2HH2 ARG 33 7.664 -6.307 -5.524 247 H CYS 34 H CYS 34 3.957 -3.014 -4.563 248 HA CYS 34 HA CYS 34 4.497 -2.469 -7.328 249 1HB CYS 34 2HB CYS 34 4.736 -1.101 -4.961 250 2HB CYS 34 1HB CYS 34 6.389 -1.408 -5.442
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