NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10979 | 1qpu | 4759 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 1 H1 ALA 1 12.200 0.284 13.542 2 2H ALA 1 H2 ALA 1 12.592 -0.242 12.050 3 3H ALA 1 H3 ALA 1 11.981 1.292 12.226 4 HA ALA 1 HA ALA 1 9.856 0.592 12.480 5 1HB ALA 1 HB1 ALA 1 9.637 -1.632 11.091 6 2HB ALA 1 HB2 ALA 1 10.341 -0.228 10.272 7 3HB ALA 1 HB3 ALA 1 11.390 -1.504 10.865 8 H ASP 2 H ASP 2 8.278 -1.096 13.466 9 HA ASP 2 HA ASP 2 9.760 -3.173 14.972 10 1HB ASP 2 HB2 ASP 2 7.195 -1.827 15.399 11 2HB ASP 2 HB3 ASP 2 6.965 -3.567 15.195 12 H LEU 3 H LEU 3 6.760 -3.246 13.095 13 HA LEU 3 HA LEU 3 7.398 -3.811 10.666 14 1HB LEU 3 HB2 LEU 3 8.586 -5.993 11.876 15 2HB LEU 3 HB3 LEU 3 6.968 -6.630 11.732 16 HG LEU 3 HG LEU 3 8.165 -5.190 9.390 17 1HD1 LEU 3 HD1 LEU 3 8.893 -8.068 10.162 18 2HD1 LEU 3 HD1 LEU 3 9.293 -7.291 8.606 19 3HD1 LEU 3 HD1 LEU 3 10.022 -6.723 10.117 20 1HD2 LEU 3 HD2 LEU 3 5.905 -6.182 9.224 21 2HD2 LEU 3 HD2 LEU 3 6.986 -7.148 8.171 22 3HD2 LEU 3 HD2 LEU 3 6.583 -7.716 9.775 23 H GLU 4 H GLU 4 5.692 -5.016 13.416 24 HA GLU 4 HA GLU 4 3.193 -5.869 12.461 25 1HB GLU 4 HB2 GLU 4 4.424 -4.892 15.010 26 2HB GLU 4 HB3 GLU 4 2.662 -4.815 14.953 27 1HG GLU 4 HG2 GLU 4 2.475 -7.166 14.458 28 2HG GLU 4 HG3 GLU 4 4.230 -7.330 14.272 29 H ASP 5 H ASP 5 4.370 -2.582 13.220 30 HA ASP 5 HA ASP 5 1.713 -1.403 13.219 31 1HB ASP 5 HB2 ASP 5 2.981 0.649 13.758 32 2HB ASP 5 HB3 ASP 5 3.198 -0.639 14.931 33 H ASN 6 H ASN 6 4.589 -1.897 11.239 34 HA ASN 6 HA ASN 6 3.801 0.194 9.452 35 1HB ASN 6 HB2 ASN 6 5.839 -2.037 9.121 36 2HB ASN 6 HB3 ASN 6 5.567 -0.740 7.937 37 1HD2 ASN 6 HD2 ASN 6 8.110 -1.132 9.470 38 2HD2 ASN 6 HD2 ASN 6 8.178 0.353 10.435 39 H MET 7 HN MET 7 3.228 -3.207 9.755 40 HA MET 7 HA MET 7 2.182 -3.648 7.077 41 1HB MET 7 HB2 MET 7 2.455 -5.173 9.712 42 2HB MET 7 HB3 MET 7 1.413 -5.780 8.456 43 1HG MET 7 HG2 MET 7 4.324 -5.028 8.095 44 2HG MET 7 HG3 MET 7 3.791 -6.690 8.319 45 1HE MET 7 HE1 MET 7 5.164 -4.376 5.804 46 2HE MET 7 HE2 MET 7 5.661 -6.086 5.662 47 3HE MET 7 HE3 MET 7 4.798 -5.274 4.324 48 H GLU 8 H GLU 8 0.824 -3.283 10.409 49 HA GLU 8 HA GLU 8 -1.852 -3.417 9.465 50 1HB GLU 8 HB2 GLU 8 -2.548 -2.747 11.540 51 2HB GLU 8 HB3 GLU 8 -1.020 -3.546 11.888 52 1HG GLU 8 HG2 GLU 8 0.069 -1.291 11.951 53 2HG GLU 8 HG3 GLU 8 -1.496 -0.525 11.680 54 H THR 9 H THR 9 0.457 -0.659 9.740 55 HA THR 9 HA THR 9 -1.524 1.289 9.082 56 HB THR 9 HB THR 9 1.508 1.305 8.866 57 HG1 THR 9 HG1 THR 9 0.781 1.390 10.937 58 1HG2 THR 9 HG2 THR 9 -0.467 3.579 8.423 59 2HG2 THR 9 HG2 THR 9 1.283 3.781 8.686 60 3HG2 THR 9 HG2 THR 9 0.719 2.946 7.237 61 H LEU 10 H LEU 10 0.708 -0.632 6.954 62 HA LEU 10 HA LEU 10 -0.138 0.567 4.515 63 1HB LEU 10 HB2 LEU 10 1.235 -1.913 5.330 64 2HB LEU 10 HB3 LEU 10 0.168 -2.171 3.973 65 HG LEU 10 HG LEU 10 1.537 0.259 3.363 66 1HD1 LEU 10 HD1 LEU 10 3.435 -1.950 4.232 67 2HD1 LEU 10 HD1 LEU 10 3.859 -0.445 3.386 68 3HD1 LEU 10 HD1 LEU 10 3.234 -0.378 5.043 69 1HD2 LEU 10 HD2 LEU 10 0.735 -1.463 1.776 70 2HD2 LEU 10 HD2 LEU 10 2.444 -1.045 1.533 71 3HD2 LEU 10 HD2 LEU 10 2.009 -2.561 2.366 72 H ASN 11 H ASN 11 -1.728 -1.716 6.622 73 HA ASN 11 HA ASN 11 -3.790 -2.374 4.655 74 1HB ASN 11 HB2 ASN 11 -2.942 -3.702 6.799 75 2HB ASN 11 HB3 ASN 11 -4.141 -2.738 7.645 76 1HD2 ASN 11 HD2 ASN 11 -5.861 -4.177 7.992 77 2HD2 ASN 11 HD2 ASN 11 -6.648 -5.036 6.684 78 H ASP 12 H ASP 12 -3.548 -0.271 7.473 79 HA ASP 12 HA ASP 12 -6.258 0.492 7.677 80 1HB ASP 12 HB2 ASP 12 -4.405 0.877 9.372 81 2HB ASP 12 HB3 ASP 12 -3.861 2.230 8.384 82 H ASN 13 H ASN 13 -3.524 1.980 6.012 83 HA ASN 13 HA ASN 13 -4.848 4.191 4.814 84 1HB ASN 13 HB2 ASN 13 -2.508 2.616 3.820 85 2HB ASN 13 HB3 ASN 13 -3.052 4.165 3.144 86 1HD2 ASN 13 HD2 ASN 13 -0.974 2.819 5.388 87 2HD2 ASN 13 HD2 ASN 13 -0.770 4.213 6.412 88 H LEU 14 H LEU 14 -4.569 0.777 3.692 89 HA LEU 14 HA LEU 14 -5.921 1.271 1.200 90 1HB LEU 14 HB2 LEU 14 -4.762 -1.013 2.471 91 2HB LEU 14 HB3 LEU 14 -6.475 -1.387 2.320 92 HG LEU 14 HG LEU 14 -6.146 -0.405 -0.156 93 1HD1 LEU 14 HD1 LEU 14 -3.377 -1.383 0.660 94 2HD1 LEU 14 HD1 LEU 14 -3.875 -0.912 -0.976 95 3HD1 LEU 14 HD1 LEU 14 -3.852 0.303 0.324 96 1HD2 LEU 14 HD2 LEU 14 -6.847 -2.704 0.252 97 2HD2 LEU 14 HD2 LEU 14 -5.592 -2.649 -0.994 98 3HD2 LEU 14 HD2 LEU 14 -5.172 -3.174 0.655 99 H LYS 15 H LYS 15 -6.995 0.744 4.544 100 HA LYS 15 HA LYS 15 -9.767 0.270 3.760 101 1HB LYS 15 HB2 LYS 15 -9.794 -0.431 5.878 102 2HB LYS 15 HB3 LYS 15 -8.210 0.253 6.202 103 1HG LYS 15 HG2 LYS 15 -9.217 2.441 6.745 104 2HG LYS 15 HG3 LYS 15 -10.839 1.799 6.407 105 1HD LYS 15 HD2 LYS 15 -10.886 0.519 8.327 106 2HD LYS 15 HD3 LYS 15 -9.124 0.259 8.325 107 1HE LYS 15 HE2 LYS 15 -8.750 2.626 8.897 108 2HE LYS 15 HE3 LYS 15 -10.499 2.894 9.011 109 1HZ LYS 15 HZ1 LYS 15 -8.879 1.021 10.598 110 2HZ LYS 15 HZ2 LYS 15 -9.403 2.458 11.134 111 3HZ LYS 15 HZ3 LYS 15 -10.520 1.269 10.814 112 H VAL 16 H VAL 16 -7.699 3.104 4.466 113 HA VAL 16 HA VAL 16 -9.959 4.894 4.687 114 HB VAL 16 HB VAL 16 -7.293 5.731 3.551 115 1HG1 VAL 16 HG1 VAL 16 -9.421 7.040 5.334 116 2HG1 VAL 16 HG1 VAL 16 -7.927 7.853 4.853 117 3HG1 VAL 16 HG1 VAL 16 -9.121 7.423 3.624 118 1HG2 VAL 16 HG2 VAL 16 -6.662 4.531 5.491 119 2HG2 VAL 16 HG2 VAL 16 -6.486 6.224 5.830 120 3HG2 VAL 16 HG2 VAL 16 -7.885 5.323 6.500 121 H ILE 17 H ILE 17 -8.036 3.596 1.964 122 HA ILE 17 HA ILE 17 -9.113 5.393 0.068 123 HB ILE 17 HB ILE 17 -7.112 3.581 0.067 124 1HG1 ILE 17 HG1 ILE 17 -8.620 4.786 -2.288 125 2HG1 ILE 17 HG1 ILE 17 -7.348 5.525 -1.294 126 1HG2 ILE 17 HG2 ILE 17 -9.004 2.343 -1.970 127 2HG2 ILE 17 HG2 ILE 17 -7.422 1.770 -1.381 128 3HG2 ILE 17 HG2 ILE 17 -8.842 1.646 -0.371 129 1HD1 ILE 17 HD1 ILE 17 -6.994 3.154 -3.183 130 2HD1 ILE 17 HD1 ILE 17 -6.431 4.800 -3.438 131 3HD1 ILE 17 HD1 ILE 17 -5.730 3.827 -2.125 132 H GLU 18 H GLU 18 -10.408 2.351 1.431 133 HA GLU 18 HA GLU 18 -12.487 2.023 -0.539 134 1HB GLU 18 HB2 GLU 18 -12.303 1.015 2.334 135 2HB GLU 18 HB3 GLU 18 -13.517 0.530 1.147 136 1HG GLU 18 HG2 GLU 18 -11.545 -0.195 -0.351 137 2HG GLU 18 HG3 GLU 18 -10.557 -0.074 1.112 138 H LYS 19 H LYS 19 -12.116 4.430 1.802 139 HA LYS 19 HA LYS 19 -15.092 4.875 2.029 140 1HB LYS 19 HB2 LYS 19 -12.691 5.605 3.757 141 2HB LYS 19 HB3 LYS 19 -14.273 6.344 3.999 142 1HG LYS 19 HG2 LYS 19 -15.123 4.597 5.018 143 2HG LYS 19 HG3 LYS 19 -14.564 3.446 3.805 144 1HD LYS 19 HD2 LYS 19 -12.791 2.790 5.057 145 2HD LYS 19 HD3 LYS 19 -12.345 4.450 5.513 146 1HE LYS 19 HE2 LYS 19 -13.077 3.311 7.520 147 2HE LYS 19 HE3 LYS 19 -14.279 4.529 7.049 148 1HZ LYS 19 HZ1 LYS 19 -15.631 2.746 7.340 149 2HZ LYS 19 HZ2 LYS 19 -15.247 2.484 5.763 150 3HZ LYS 19 HZ3 LYS 19 -14.483 1.625 6.930 151 H ALA 20 H ALA 20 -11.949 6.347 1.275 152 HA ALA 20 HA ALA 20 -12.826 9.008 1.741 153 1HB ALA 20 HB1 ALA 20 -10.450 7.744 0.336 154 2HB ALA 20 HB2 ALA 20 -10.608 9.486 0.622 155 3HB ALA 20 HB3 ALA 20 -10.513 8.349 1.997 156 H ASP 21 H ASP 21 -14.190 10.071 0.467 157 HA ASP 21 HA ASP 21 -14.784 8.926 -2.199 158 1HB ASP 21 HB2 ASP 21 -16.564 9.481 -0.496 159 2HB ASP 21 HB3 ASP 21 -16.216 11.194 -0.775 160 H ASN 22 H ASN 22 -12.431 10.941 -1.205 161 HA ASN 22 HA ASN 22 -12.533 12.542 -3.652 162 1HB ASN 22 HB2 ASN 22 -11.774 14.539 -2.322 163 2HB ASN 22 HB3 ASN 22 -13.460 14.078 -2.115 164 1HD2 ASN 22 HD2 ASN 22 -13.975 14.644 0.052 165 2HD2 ASN 22 HD2 ASN 22 -12.963 14.154 1.399 166 H ALA 23 H ALA 23 -10.558 13.231 -4.323 167 HA ALA 23 HA ALA 23 -8.457 11.331 -4.016 168 1HB ALA 23 HB1 ALA 23 -7.188 13.454 -5.146 169 2HB ALA 23 HB2 ALA 23 -8.243 12.338 -6.030 170 3HB ALA 23 HB3 ALA 23 -8.868 13.903 -5.479 171 H ALA 24 H ALA 24 -9.199 14.294 -2.262 172 HA ALA 24 HA ALA 24 -6.672 14.876 -1.173 173 1HB ALA 24 HB1 ALA 24 -8.517 15.528 0.830 174 2HB ALA 24 HB2 ALA 24 -7.996 16.568 -0.504 175 3HB ALA 24 HB3 ALA 24 -9.479 15.609 -0.655 176 H GLN 25 H GLN 25 -9.307 12.982 0.418 177 HA GLN 25 HA GLN 25 -7.587 12.136 2.548 178 1HB GLN 25 HB2 GLN 25 -10.349 11.330 1.589 179 2HB GLN 25 HB3 GLN 25 -9.522 10.490 2.915 180 1HG GLN 25 HG2 GLN 25 -9.367 12.610 4.167 181 2HG GLN 25 HG3 GLN 25 -10.207 13.450 2.846 182 1HE2 GLN 25 HE2 GLN 25 -11.470 13.615 5.301 183 2HE2 GLN 25 HE2 GLN 25 -12.827 12.495 5.317 184 H VAL 26 H VAL 26 -8.629 10.586 -0.551 185 HA VAL 26 HA VAL 26 -7.477 8.032 -0.069 186 HB VAL 26 HB VAL 26 -7.968 9.734 -2.520 187 1HG1 VAL 26 HG1 VAL 26 -6.585 7.044 -2.529 188 2HG1 VAL 26 HG1 VAL 26 -7.415 7.738 -3.930 189 3HG1 VAL 26 HG1 VAL 26 -6.011 8.560 -3.238 190 1HG2 VAL 26 HG2 VAL 26 -9.935 8.722 -1.653 191 2HG2 VAL 26 HG2 VAL 26 -9.451 7.620 -2.949 192 3HG2 VAL 26 HG2 VAL 26 -9.097 7.188 -1.301 193 H LYS 27 H LYS 27 -5.931 11.124 -1.131 194 HA LYS 27 HA LYS 27 -3.367 9.867 -1.618 195 1HB LYS 27 HB2 LYS 27 -4.336 12.729 -1.505 196 2HB LYS 27 HB3 LYS 27 -2.618 12.315 -1.733 197 1HG LYS 27 HG2 LYS 27 -3.034 11.060 -3.694 198 2HG LYS 27 HG3 LYS 27 -4.766 10.988 -3.398 199 1HD LYS 27 HD2 LYS 27 -4.174 12.448 -5.202 200 2HD LYS 27 HD3 LYS 27 -5.020 13.328 -3.943 201 1HE LYS 27 HE2 LYS 27 -2.056 13.356 -3.695 202 2HE LYS 27 HE3 LYS 27 -2.654 14.106 -5.179 203 1HZ LYS 27 HZ1 LYS 27 -2.493 15.690 -3.398 204 2HZ LYS 27 HZ2 LYS 27 -4.047 15.526 -3.898 205 3HZ LYS 27 HZ3 LYS 27 -3.567 14.836 -2.478 206 H ASP 28 H ASP 28 -4.790 11.755 1.042 207 HA ASP 28 HA ASP 28 -2.410 12.218 2.502 208 1HB ASP 28 HB2 ASP 28 -4.577 13.422 2.729 209 2HB ASP 28 HB3 ASP 28 -5.304 11.975 3.439 210 H ALA 29 H ALA 29 -4.908 9.653 2.693 211 HA ALA 29 HA ALA 29 -3.568 8.054 4.671 212 1HB ALA 29 HB1 ALA 29 -5.572 7.447 2.455 213 2HB ALA 29 HB2 ALA 29 -4.988 6.226 3.612 214 3HB ALA 29 HB3 ALA 29 -5.854 7.669 4.193 215 H LEU 30 H LEU 30 -3.572 7.848 1.043 216 HA LEU 30 HA LEU 30 -1.876 5.659 1.050 217 1HB LEU 30 HB2 LEU 30 -2.386 7.854 -0.985 218 2HB LEU 30 HB3 LEU 30 -1.163 6.640 -1.348 219 HG LEU 30 HG LEU 30 -3.996 5.854 -0.617 220 1HD1 LEU 30 HD1 LEU 30 -2.794 6.337 -3.393 221 2HD1 LEU 30 HD1 LEU 30 -4.375 5.626 -3.071 222 3HD1 LEU 30 HD1 LEU 30 -4.067 7.317 -2.631 223 1HD2 LEU 30 HD2 LEU 30 -2.161 4.142 -0.536 224 2HD2 LEU 30 HD2 LEU 30 -3.375 3.772 -1.768 225 3HD2 LEU 30 HD2 LEU 30 -1.807 4.460 -2.238 226 H THR 31 H THR 31 -1.049 9.024 1.527 227 HA THR 31 HA THR 31 1.781 8.919 1.069 228 HB THR 31 HB THR 31 -0.129 10.625 2.655 229 HG1 THR 31 HG1 THR 31 0.006 10.952 0.524 230 1HG2 THR 31 HG2 THR 31 2.887 10.928 2.765 231 2HG2 THR 31 HG2 THR 31 1.692 12.151 3.267 232 3HG2 THR 31 HG2 THR 31 1.786 10.623 4.134 233 H LYS 32 H LYS 32 -0.275 8.271 3.959 234 HA LYS 32 HA LYS 32 1.957 7.666 5.651 235 1HB LYS 32 HB2 LYS 32 -0.870 7.801 5.948 236 2HB LYS 32 HB3 LYS 32 -0.442 6.124 6.234 237 1HG LYS 32 HG2 LYS 32 1.469 7.178 7.766 238 2HG LYS 32 HG3 LYS 32 0.350 8.557 7.777 239 1HD LYS 32 HD2 LYS 32 -1.357 6.392 8.205 240 2HD LYS 32 HD3 LYS 32 0.130 5.869 9.025 241 1HE LYS 32 HE2 LYS 32 0.120 8.075 10.257 242 2HE LYS 32 HE3 LYS 32 -1.416 8.449 9.451 243 1HZ LYS 32 HZ1 LYS 32 -2.158 7.503 11.366 244 2HZ LYS 32 HZ2 LYS 32 -2.064 6.143 10.448 245 3HZ LYS 32 HZ3 LYS 32 -0.875 6.479 11.532 246 H MET 33 H MET 33 0.065 5.659 3.295 247 HA MET 33 HA MET 33 1.038 3.165 4.024 248 1HB MET 33 HB2 MET 33 -0.549 4.341 2.049 249 2HB MET 33 HB3 MET 33 0.821 3.755 1.101 250 1HG MET 33 HG2 MET 33 0.462 1.544 1.809 251 2HG MET 33 HG3 MET 33 -0.552 2.040 3.171 252 1HE MET 33 HE1 MET 33 -1.463 -0.184 0.986 253 2HE MET 33 HE2 MET 33 -1.890 0.560 -0.601 254 3HE MET 33 HE3 MET 33 -0.249 0.736 0.056 255 H ARG 34 H ARG 34 2.350 5.638 1.845 256 HA ARG 34 HA ARG 34 4.555 4.118 0.916 257 1HB ARG 34 HB2 ARG 34 3.416 6.494 0.257 258 2HB ARG 34 HB3 ARG 34 4.783 7.111 1.191 259 1HG ARG 34 HG2 ARG 34 6.284 5.658 -0.301 260 2HG ARG 34 HG3 ARG 34 4.828 5.255 -1.236 261 1HD ARG 34 HD2 ARG 34 5.722 7.079 -2.421 262 2HD ARG 34 HD3 ARG 34 4.470 7.832 -1.409 263 HE ARG 34 HE ARG 34 6.758 7.881 0.136 264 1HH1 ARG 34 HH2 ARG 34 5.849 9.209 -3.015 265 2HH1 ARG 34 HH2 ARG 34 6.911 10.567 -2.923 266 1HH2 ARG 34 HH1 ARG 34 8.394 9.489 0.138 267 2HH2 ARG 34 HH1 ARG 34 8.390 10.743 -1.047 268 H ALA 35 H ALA 35 4.261 6.443 3.618 269 HA ALA 35 HA ALA 35 6.933 6.273 4.579 270 1HB ALA 35 HB1 ALA 35 5.885 7.942 5.718 271 2HB ALA 35 HB2 ALA 35 4.289 7.174 5.619 272 3HB ALA 35 HB3 ALA 35 5.442 6.663 6.861 273 H ALA 36 H ALA 36 4.066 4.229 5.359 274 HA ALA 36 HA ALA 36 5.490 2.665 7.300 275 1HB ALA 36 HB1 ALA 36 2.878 2.395 5.793 276 2HB ALA 36 HB2 ALA 36 3.510 1.053 6.769 277 3HB ALA 36 HB3 ALA 36 3.185 2.608 7.537 278 H ALA 37 H ALA 37 5.203 2.399 3.771 279 HA ALA 37 HA ALA 37 6.186 -0.319 3.621 280 1HB ALA 37 HB1 ALA 37 6.233 0.042 1.257 281 2HB ALA 37 HB2 ALA 37 4.831 0.979 1.817 282 3HB ALA 37 HB3 ALA 37 6.355 1.802 1.436 283 H LEU 38 H LEU 38 7.615 2.976 3.687 284 HA LEU 38 HA LEU 38 10.171 2.335 2.732 285 1HB LEU 38 HB2 LEU 38 8.807 4.480 2.743 286 2HB LEU 38 HB3 LEU 38 8.989 4.555 4.481 287 HG LEU 38 HG LEU 38 10.408 6.120 3.410 288 1HD1 LEU 38 HD1 LEU 38 12.141 3.860 4.401 289 2HD1 LEU 38 HD1 LEU 38 12.366 5.608 4.639 290 3HD1 LEU 38 HD1 LEU 38 11.013 4.748 5.448 291 1HD2 LEU 38 HD2 LEU 38 10.627 4.952 1.230 292 2HD2 LEU 38 HD2 LEU 38 12.187 5.507 1.864 293 3HD2 LEU 38 HD2 LEU 38 11.745 3.788 1.973 294 H ASP 39 H ASP 39 8.519 2.361 5.930 295 HA ASP 39 HA ASP 39 11.008 1.943 7.385 296 1HB ASP 39 HB2 ASP 39 8.855 3.203 8.084 297 2HB ASP 39 HB3 ASP 39 8.191 1.644 8.437 298 H ALA 40 H ALA 40 8.175 0.042 6.403 299 HA ALA 40 HA ALA 40 8.881 -2.459 7.503 300 1HB ALA 40 HB1 ALA 40 7.570 -1.920 4.811 301 2HB ALA 40 HB2 ALA 40 7.366 -3.351 5.871 302 3HB ALA 40 HB3 ALA 40 6.723 -1.785 6.359 303 H GLN 41 H GLN 41 10.082 -0.828 4.538 304 HA GLN 41 HA GLN 41 11.549 -3.088 3.560 305 1HB GLN 41 HB2 GLN 41 10.937 -0.781 2.420 306 2HB GLN 41 HB3 GLN 41 12.430 -0.217 3.172 307 1HG GLN 41 HG2 GLN 41 13.237 -2.598 1.979 308 2HG GLN 41 HG3 GLN 41 11.973 -2.057 0.874 309 1HE2 GLN 41 HE2 GLN 41 12.589 -0.491 -0.696 310 2HE2 GLN 41 HE2 GLN 41 13.995 0.532 -0.473 311 H LYS 42 H LYS 42 12.038 -0.965 6.260 312 HA LYS 42 HA LYS 42 14.862 -1.786 6.634 313 1HB LYS 42 HB2 LYS 42 13.090 0.483 7.621 314 2HB LYS 42 HB3 LYS 42 14.549 0.061 8.501 315 1HG LYS 42 HG2 LYS 42 15.008 0.175 5.585 316 2HG LYS 42 HG3 LYS 42 14.394 1.698 6.220 317 1HD LYS 42 HD2 LYS 42 16.636 0.310 7.720 318 2HD LYS 42 HD3 LYS 42 16.992 1.149 6.198 319 1HE LYS 42 HE2 LYS 42 15.692 3.140 7.098 320 2HE LYS 42 HE3 LYS 42 15.670 2.345 8.678 321 1HZ LYS 42 HZ1 LYS 42 18.037 2.447 8.733 322 2HZ LYS 42 HZ2 LYS 42 18.134 2.958 7.169 323 3HZ LYS 42 HZ3 LYS 42 17.505 3.951 8.319 324 H ALA 43 H ALA 43 12.439 -3.609 7.031 325 HA ALA 43 HA ALA 43 12.945 -4.153 9.900 326 1HB ALA 43 HB1 ALA 43 10.598 -3.271 9.192 327 2HB ALA 43 HB2 ALA 43 10.393 -4.865 8.441 328 3HB ALA 43 HB3 ALA 43 10.699 -4.708 10.203 329 H THR 44 H THR 44 12.514 -6.617 10.286 330 HA THR 44 HA THR 44 13.645 -8.139 7.992 331 HB THR 44 HB THR 44 14.192 -8.451 10.949 332 HG1 THR 44 HG1 THR 44 15.768 -7.186 10.433 333 1HG2 THR 44 HG2 THR 44 15.288 -10.034 8.573 334 2HG2 THR 44 HG2 THR 44 15.777 -10.200 10.275 335 3HG2 THR 44 HG2 THR 44 14.138 -10.656 9.778 336 HA PRO 45 HA PRO 45 9.631 -9.988 8.569 337 1HB PRO 45 HB2 PRO 45 9.524 -11.537 6.310 338 2HB PRO 45 HB3 PRO 45 9.479 -9.742 6.253 339 1HG PRO 45 HG2 PRO 45 11.889 -11.518 5.854 340 2HG PRO 45 HG3 PRO 45 11.302 -10.172 4.827 341 1HD PRO 45 HD2 PRO 45 13.246 -9.841 6.726 342 2HD PRO 45 HD3 PRO 45 12.022 -8.559 6.401 343 HA PRO 46 HA PRO 46 11.010 -13.639 10.754 344 1HB PRO 46 HB2 PRO 46 8.581 -14.655 11.555 345 2HB PRO 46 HB3 PRO 46 9.367 -13.223 12.290 346 1HG PRO 46 HG2 PRO 46 7.231 -13.270 10.137 347 2HG PRO 46 HG3 PRO 46 7.269 -12.285 11.636 348 1HD PRO 46 HD2 PRO 46 8.067 -11.264 9.262 349 2HD PRO 46 HD3 PRO 46 8.964 -10.864 10.757 350 H LYS 47 H LYS 47 8.630 -13.817 8.135 351 HA LYS 47 HA LYS 47 8.514 -16.598 7.644 352 1HB LYS 47 HB2 LYS 47 7.119 -14.951 6.574 353 2HB LYS 47 HB3 LYS 47 8.513 -14.325 5.679 354 1HG LYS 47 HG2 LYS 47 7.036 -15.943 4.455 355 2HG LYS 47 HG3 LYS 47 8.730 -16.330 4.384 356 1HD LYS 47 HD2 LYS 47 8.355 -18.250 5.775 357 2HD LYS 47 HD3 LYS 47 6.787 -17.634 6.340 358 1HE LYS 47 HE2 LYS 47 7.451 -18.489 3.479 359 2HE LYS 47 HE3 LYS 47 6.534 -19.448 4.663 360 1HZ LYS 47 HZ1 LYS 47 5.675 -17.282 3.044 361 2HZ LYS 47 HZ2 LYS 47 4.763 -18.404 3.731 362 3HZ LYS 47 HZ3 LYS 47 5.204 -17.122 4.616 363 H LEU 48 H LEU 48 11.140 -14.262 7.052 364 HA LEU 48 HA LEU 48 12.789 -16.397 5.835 365 1HB LEU 48 HB2 LEU 48 12.475 -13.469 5.080 366 2HB LEU 48 HB3 LEU 48 13.777 -14.481 4.547 367 HG LEU 48 HG LEU 48 10.858 -14.915 3.861 368 1HD1 LEU 48 HD1 LEU 48 13.181 -13.428 2.640 369 2HD1 LEU 48 HD1 LEU 48 12.090 -14.216 1.546 370 3HD1 LEU 48 HD1 LEU 48 11.472 -13.000 2.689 371 1HD2 LEU 48 HD2 LEU 48 12.352 -17.030 3.810 372 2HD2 LEU 48 HD2 LEU 48 11.476 -16.616 2.348 373 3HD2 LEU 48 HD2 LEU 48 13.193 -16.229 2.446 374 H GLU 49 H GLU 49 12.489 -15.482 8.729 375 HA GLU 49 HA GLU 49 14.907 -13.878 9.088 376 1HB GLU 49 HB2 GLU 49 12.824 -15.002 10.837 377 2HB GLU 49 HB3 GLU 49 14.447 -15.133 11.515 378 1HG GLU 49 HG2 GLU 49 14.720 -12.634 10.739 379 2HG GLU 49 HG3 GLU 49 12.954 -12.626 10.697 380 H ASP 50 H ASP 50 14.064 -17.332 9.361 381 HA ASP 50 HA ASP 50 16.736 -18.158 10.138 382 1HB ASP 50 HB2 ASP 50 14.593 -19.367 10.668 383 2HB ASP 50 HB3 ASP 50 14.483 -19.804 8.955 384 H LYS 51 H LYS 51 16.108 -16.662 7.405 385 HA LYS 51 HA LYS 51 16.793 -18.663 5.415 386 1HB LYS 51 HB2 LYS 51 16.184 -15.752 5.574 387 2HB LYS 51 HB3 LYS 51 17.354 -16.133 4.361 388 1HG LYS 51 HG2 LYS 51 15.048 -18.018 4.404 389 2HG LYS 51 HG3 LYS 51 14.635 -16.350 4.049 390 1HD LYS 51 HD2 LYS 51 15.964 -16.223 2.144 391 2HD LYS 51 HD3 LYS 51 17.017 -17.551 2.654 392 1HE LYS 51 HE2 LYS 51 14.153 -18.256 2.246 393 2HE LYS 51 HE3 LYS 51 15.067 -17.814 0.784 394 1HZ LYS 51 HZ1 LYS 51 16.735 -19.429 1.436 395 2HZ LYS 51 HZ2 LYS 51 15.826 -19.903 2.729 396 3HZ LYS 51 HZ3 LYS 51 15.276 -20.139 1.188 397 H SER 52 H SER 52 18.666 -18.198 3.938 398 HA SER 52 HA SER 52 21.152 -18.230 5.279 399 1HB SER 52 HB2 SER 52 21.635 -17.163 2.739 400 2HB SER 52 HB3 SER 52 21.610 -18.886 3.166 401 HG SER 52 HG SER 52 20.241 -18.342 1.409 402 HA PRO 53 HA PRO 53 21.616 -14.165 6.677 403 1HB PRO 53 HB2 PRO 53 24.301 -13.647 6.098 404 2HB PRO 53 HB3 PRO 53 23.742 -14.704 7.431 405 1HG PRO 53 HG2 PRO 53 24.746 -15.502 4.689 406 2HG PRO 53 HG3 PRO 53 25.075 -16.275 6.266 407 1HD PRO 53 HD2 PRO 53 23.223 -17.222 4.492 408 2HD PRO 53 HD3 PRO 53 23.006 -17.382 6.264 409 H ASP 54 H ASP 54 23.245 -14.753 3.620 410 HA ASP 54 HA ASP 54 22.541 -12.074 2.574 411 1HB ASP 54 HB2 ASP 54 25.005 -13.311 3.007 412 2HB ASP 54 HB3 ASP 54 24.738 -13.678 1.327 413 H SER 55 H SER 55 20.559 -14.244 2.596 414 HA SER 55 HA SER 55 20.885 -15.779 0.175 415 1HB SER 55 HB2 SER 55 18.089 -15.333 0.419 416 2HB SER 55 HB3 SER 55 18.966 -16.790 0.726 417 HG SER 55 HG SER 55 19.262 -16.011 2.903 418 HA PRO 56 HA PRO 56 20.534 -12.297 -2.477 419 1HB PRO 56 HB2 PRO 56 20.008 -13.588 -4.867 420 2HB PRO 56 HB3 PRO 56 21.598 -13.606 -4.037 421 1HG PRO 56 HG2 PRO 56 19.396 -15.692 -3.848 422 2HG PRO 56 HG3 PRO 56 21.136 -15.959 -4.220 423 1HD PRO 56 HD2 PRO 56 20.189 -16.280 -1.734 424 2HD PRO 56 HD3 PRO 56 21.763 -15.449 -1.974 425 H GLU 57 H GLU 57 17.879 -14.178 -1.607 426 HA GLU 57 HA GLU 57 15.746 -12.848 -3.184 427 1HB GLU 57 HB2 GLU 57 16.168 -15.176 -1.294 428 2HB GLU 57 HB3 GLU 57 14.535 -14.513 -1.367 429 1HG GLU 57 HG2 GLU 57 14.260 -14.903 -3.631 430 2HG GLU 57 HG3 GLU 57 15.982 -15.243 -3.901 431 H MET 58 H MET 58 17.026 -13.306 -0.002 432 HA MET 58 HA MET 58 14.844 -12.258 1.611 433 1HB MET 58 HB2 MET 58 17.162 -13.842 1.802 434 2HB MET 58 HB3 MET 58 17.613 -12.390 2.669 435 1HG MET 58 HG2 MET 58 15.139 -14.050 3.102 436 2HG MET 58 HG3 MET 58 16.629 -14.206 4.029 437 1HE MET 58 HE1 MET 58 17.767 -12.633 5.326 438 2HE MET 58 HE2 MET 58 17.620 -11.122 4.396 439 3HE MET 58 HE3 MET 58 17.106 -11.168 6.095 440 H LYS 59 H LYS 59 17.974 -11.503 0.434 441 HA LYS 59 HA LYS 59 18.432 -8.959 1.587 442 1HB LYS 59 HB2 LYS 59 19.889 -10.822 0.201 443 2HB LYS 59 HB3 LYS 59 19.404 -9.780 -1.168 444 1HG LYS 59 HG2 LYS 59 20.022 -7.863 0.492 445 2HG LYS 59 HG3 LYS 59 20.819 -9.153 1.443 446 1HD LYS 59 HD2 LYS 59 22.332 -9.651 -0.288 447 2HD LYS 59 HD3 LYS 59 21.362 -8.779 -1.538 448 1HE LYS 59 HE2 LYS 59 21.809 -6.684 -0.675 449 2HE LYS 59 HE3 LYS 59 21.960 -7.302 0.977 450 1HZ LYS 59 HZ1 LYS 59 23.990 -7.451 -1.112 451 2HZ LYS 59 HZ2 LYS 59 24.084 -6.732 0.381 452 3HZ LYS 59 HZ3 LYS 59 24.035 -8.384 0.262 453 H ASP 60 H ASP 60 16.780 -10.223 -1.220 454 HA ASP 60 HA ASP 60 15.995 -7.550 -2.157 455 1HB ASP 60 HB2 ASP 60 17.343 -9.538 -3.486 456 2HB ASP 60 HB3 ASP 60 15.677 -9.952 -3.898 457 H PHE 61 H PHE 61 14.799 -9.427 0.107 458 HA PHE 61 HA PHE 61 12.334 -10.341 -1.047 459 1HB PHE 61 HB2 PHE 61 11.431 -10.619 1.112 460 2HB PHE 61 HB3 PHE 61 13.129 -11.021 1.208 461 HD1 PHE 61 HD1 PHE 61 10.973 -7.879 1.740 462 HD2 PHE 61 HD2 PHE 61 14.061 -10.471 3.252 463 HE1 PHE 61 HE1 PHE 61 11.514 -6.267 3.528 464 HE2 PHE 61 HE2 PHE 61 14.527 -8.865 5.068 465 HZ PHE 61 HZ PHE 61 13.238 -6.734 5.177 466 H ARG 62 H ARG 62 13.497 -7.446 0.160 467 HA ARG 62 HA ARG 62 11.992 -5.259 -0.247 468 1HB ARG 62 HB2 ARG 62 14.606 -5.828 -0.354 469 2HB ARG 62 HB3 ARG 62 14.306 -5.808 -2.091 470 1HG ARG 62 HG2 ARG 62 13.076 -3.459 -1.396 471 2HG ARG 62 HG3 ARG 62 14.272 -3.600 -0.075 472 1HD ARG 62 HD2 ARG 62 15.969 -4.198 -1.900 473 2HD ARG 62 HD3 ARG 62 14.727 -3.702 -3.079 474 HE ARG 62 HE ARG 62 15.086 -1.640 -1.153 475 1HH1 ARG 62 HH2 ARG 62 16.630 -3.254 -3.869 476 2HH1 ARG 62 HH2 ARG 62 17.666 -1.954 -4.320 477 1HH2 ARG 62 HH1 ARG 62 16.507 0.139 -1.649 478 2HH2 ARG 62 HH1 ARG 62 17.557 0.078 -3.024 479 H HIS 63 H HIS 63 12.271 -7.757 -2.790 480 HA HIS 63 HA HIS 63 11.701 -6.258 -5.090 481 1HB HIS 63 HB2 HIS 63 11.764 -9.089 -4.287 482 2HB HIS 63 HB3 HIS 63 10.372 -8.782 -5.288 483 HD1 HIS 63 HD1 HIS 63 14.077 -9.157 -5.565 484 HD2 HIS 63 HD2 HIS 63 10.925 -7.507 -7.758 485 HE1 HIS 63 HE1 HIS 63 14.845 -9.136 -7.995 486 H GLY 64 H GLY 64 9.654 -7.546 -2.494 487 1HA GLY 64 HA2 GLY 64 7.140 -7.154 -3.912 488 2HA GLY 64 HA3 GLY 64 7.345 -7.464 -2.173 489 H PHE 65 H PHE 65 8.887 -5.508 -1.351 490 HA PHE 65 HA PHE 65 7.157 -3.236 -1.170 491 1HB PHE 65 HB2 PHE 65 10.138 -3.518 -0.605 492 2HB PHE 65 HB3 PHE 65 9.228 -2.042 -0.299 493 HD1 PHE 65 HD1 PHE 65 10.592 -4.600 1.492 494 HD2 PHE 65 HD2 PHE 65 6.752 -2.720 0.877 495 HE1 PHE 65 HE1 PHE 65 9.776 -5.359 3.757 496 HE2 PHE 65 HE2 PHE 65 5.976 -3.586 3.051 497 HZ PHE 65 HZ PHE 65 7.518 -4.974 4.453 498 H ASP 66 H ASP 66 9.757 -4.022 -3.521 499 HA ASP 66 HA ASP 66 9.783 -1.375 -4.634 500 1HB ASP 66 HB2 ASP 66 11.439 -3.502 -4.803 501 2HB ASP 66 HB3 ASP 66 10.542 -3.764 -6.296 502 H ILE 67 H ILE 67 8.096 -4.409 -5.372 503 HA ILE 67 HA ILE 67 6.776 -3.487 -7.769 504 HB ILE 67 HB ILE 67 6.793 -5.878 -5.950 505 1HG1 ILE 67 HG1 ILE 67 6.741 -5.764 -8.978 506 2HG1 ILE 67 HG1 ILE 67 8.201 -5.329 -8.085 507 1HG2 ILE 67 HG2 ILE 67 4.495 -5.434 -7.871 508 2HG2 ILE 67 HG2 ILE 67 4.948 -6.992 -7.138 509 3HG2 ILE 67 HG2 ILE 67 4.415 -5.677 -6.103 510 1HD1 ILE 67 HD1 ILE 67 6.812 -8.034 -7.889 511 2HD1 ILE 67 HD1 ILE 67 8.284 -7.666 -8.807 512 3HD1 ILE 67 HD1 ILE 67 8.295 -7.546 -7.041 513 H LEU 68 H LEU 68 5.895 -3.712 -4.397 514 HA LEU 68 HA LEU 68 3.108 -3.047 -4.704 515 1HB LEU 68 HB2 LEU 68 3.984 -4.349 -2.748 516 2HB LEU 68 HB3 LEU 68 4.944 -2.950 -2.259 517 HG LEU 68 HG LEU 68 2.775 -1.645 -2.008 518 1HD1 LEU 68 HD1 LEU 68 1.534 -4.431 -2.214 519 2HD1 LEU 68 HD1 LEU 68 0.701 -2.915 -1.821 520 3HD1 LEU 68 HD1 LEU 68 1.349 -3.168 -3.447 521 1HD2 LEU 68 HD2 LEU 68 3.929 -2.644 -0.081 522 2HD2 LEU 68 HD2 LEU 68 2.162 -2.797 0.077 523 3HD2 LEU 68 HD2 LEU 68 3.115 -4.194 -0.423 524 H VAL 69 H VAL 69 6.017 -1.319 -3.443 525 HA VAL 69 HA VAL 69 4.610 1.131 -3.138 526 HB VAL 69 HB VAL 69 6.883 0.416 -2.142 527 1HG1 VAL 69 HG1 VAL 69 7.922 2.002 -4.543 528 2HG1 VAL 69 HG1 VAL 69 8.868 1.290 -3.221 529 3HG1 VAL 69 HG1 VAL 69 8.073 0.247 -4.408 530 1HG2 VAL 69 HG2 VAL 69 5.731 2.445 -1.569 531 2HG2 VAL 69 HG2 VAL 69 7.471 2.740 -1.732 532 3HG2 VAL 69 HG2 VAL 69 6.360 3.255 -3.026 533 H GLY 70 H GLY 70 6.255 -0.323 -5.949 534 1HA GLY 70 HA2 GLY 70 6.143 1.880 -7.704 535 2HA GLY 70 HA3 GLY 70 6.028 0.166 -8.163 536 H GLN 71 H GLN 71 3.689 -0.712 -7.077 537 HA GLN 71 HA GLN 71 1.721 0.507 -8.800 538 1HB GLN 71 HB2 GLN 71 1.515 -1.541 -6.564 539 2HB GLN 71 HB3 GLN 71 0.158 -1.057 -7.578 540 1HG GLN 71 HG2 GLN 71 2.548 -1.810 -9.156 541 2HG GLN 71 HG3 GLN 71 2.006 -3.108 -8.095 542 1HE2 GLN 71 HE2 GLN 71 1.964 -3.171 -11.010 543 2HE2 GLN 71 HE2 GLN 71 0.263 -3.338 -11.429 544 H ILE 72 H ILE 72 2.644 1.129 -5.437 545 HA ILE 72 HA ILE 72 0.172 2.498 -4.739 546 HB ILE 72 HB ILE 72 2.972 2.411 -3.585 547 1HG1 ILE 72 HG1 ILE 72 0.256 1.684 -2.408 548 2HG1 ILE 72 HG1 ILE 72 1.289 0.536 -3.257 549 1HG2 ILE 72 HG2 ILE 72 0.711 4.157 -2.541 550 2HG2 ILE 72 HG2 ILE 72 2.254 3.847 -1.712 551 3HG2 ILE 72 HG2 ILE 72 2.250 4.730 -3.220 552 1HD1 ILE 72 HD1 ILE 72 1.950 1.961 -0.645 553 2HD1 ILE 72 HD1 ILE 72 1.642 0.237 -0.895 554 3HD1 ILE 72 HD1 ILE 72 3.104 0.967 -1.563 555 H ASP 73 H ASP 73 3.281 3.381 -6.296 556 HA ASP 73 HA ASP 73 2.776 6.201 -6.173 557 1HB ASP 73 HB2 ASP 73 4.990 4.810 -6.689 558 2HB ASP 73 HB3 ASP 73 4.455 4.983 -8.364 559 H ASP 74 H ASP 74 2.220 3.640 -8.600 560 HA ASP 74 HA ASP 74 1.075 5.306 -10.578 561 1HB ASP 74 HB2 ASP 74 1.758 2.667 -10.455 562 2HB ASP 74 HB3 ASP 74 0.015 2.507 -10.278 563 H ALA 75 H ALA 75 -0.447 3.498 -7.888 564 HA ALA 75 HA ALA 75 -3.115 4.286 -8.472 565 1HB ALA 75 HB1 ALA 75 -2.840 4.012 -5.621 566 2HB ALA 75 HB2 ALA 75 -3.544 2.871 -6.780 567 3HB ALA 75 HB3 ALA 75 -1.825 2.785 -6.377 568 H LEU 76 H LEU 76 -0.514 5.851 -6.670 569 HA LEU 76 HA LEU 76 -2.199 7.979 -5.652 570 1HB LEU 76 HB2 LEU 76 0.750 7.443 -5.840 571 2HB LEU 76 HB3 LEU 76 0.286 9.137 -5.783 572 HG LEU 76 HG LEU 76 -0.645 7.074 -3.746 573 1HD1 LEU 76 HD1 LEU 76 1.524 9.198 -3.662 574 2HD1 LEU 76 HD1 LEU 76 1.007 8.194 -2.277 575 3HD1 LEU 76 HD1 LEU 76 1.787 7.435 -3.686 576 1HD2 LEU 76 HD2 LEU 76 -2.162 9.024 -3.883 577 2HD2 LEU 76 HD2 LEU 76 -1.170 9.169 -2.431 578 3HD2 LEU 76 HD2 LEU 76 -0.769 10.132 -3.863 579 H LYS 77 H LYS 77 -0.501 7.361 -8.670 580 HA LYS 77 HA LYS 77 -0.631 10.040 -9.645 581 1HB LYS 77 HB2 LYS 77 0.552 7.646 -10.405 582 2HB LYS 77 HB3 LYS 77 -0.735 7.804 -11.606 583 1HG LYS 77 HG2 LYS 77 0.078 10.095 -12.126 584 2HG LYS 77 HG3 LYS 77 1.353 9.923 -10.888 585 1HD LYS 77 HD2 LYS 77 2.368 8.072 -12.068 586 2HD LYS 77 HD3 LYS 77 0.978 7.955 -13.174 587 1HE LYS 77 HE2 LYS 77 1.492 10.400 -13.811 588 2HE LYS 77 HE3 LYS 77 3.057 10.166 -13.005 589 1HZ LYS 77 HZ1 LYS 77 3.155 9.676 -15.375 590 2HZ LYS 77 HZ2 LYS 77 3.446 8.304 -14.498 591 3HZ LYS 77 HZ3 LYS 77 1.984 8.526 -15.216 592 H LEU 78 H LEU 78 -3.124 7.731 -9.161 593 HA LEU 78 HA LEU 78 -4.810 8.620 -11.401 594 1HB LEU 78 HB2 LEU 78 -5.233 6.655 -9.092 595 2HB LEU 78 HB3 LEU 78 -6.444 7.002 -10.308 596 HG LEU 78 HG LEU 78 -3.671 5.946 -11.005 597 1HD1 LEU 78 HD1 LEU 78 -6.237 4.361 -10.677 598 2HD1 LEU 78 HD1 LEU 78 -4.666 3.728 -11.180 599 3HD1 LEU 78 HD1 LEU 78 -4.898 4.339 -9.535 600 1HD2 LEU 78 HD2 LEU 78 -4.870 7.001 -12.887 601 2HD2 LEU 78 HD2 LEU 78 -4.804 5.245 -13.093 602 3HD2 LEU 78 HD2 LEU 78 -6.306 6.002 -12.541 603 H ALA 79 H ALA 79 -5.081 8.422 -7.811 604 HA ALA 79 HA ALA 79 -7.173 10.378 -7.697 605 1HB ALA 79 HB1 ALA 79 -5.428 8.932 -5.808 606 2HB ALA 79 HB2 ALA 79 -5.779 10.588 -5.293 607 3HB ALA 79 HB3 ALA 79 -7.114 9.485 -5.610 608 H ASN 80 H ASN 80 -3.639 10.790 -7.541 609 HA ASN 80 HA ASN 80 -3.722 13.592 -6.933 610 1HB ASN 80 HB2 ASN 80 -1.647 12.151 -6.882 611 2HB ASN 80 HB3 ASN 80 -1.645 12.196 -8.659 612 1HD2 ASN 80 HD2 ASN 80 0.339 13.417 -8.845 613 2HD2 ASN 80 HD2 ASN 80 0.406 15.079 -8.287 614 H GLU 81 H GLU 81 -4.299 11.854 -9.921 615 HA GLU 81 HA GLU 81 -4.444 14.438 -11.417 616 1HB GLU 81 HB2 GLU 81 -4.428 11.558 -12.154 617 2HB GLU 81 HB3 GLU 81 -5.655 12.479 -12.991 618 1HG GLU 81 HG2 GLU 81 -3.525 14.188 -13.283 619 2HG GLU 81 HG3 GLU 81 -2.689 12.635 -13.243 620 H GLY 82 H GLY 82 -6.449 12.349 -9.550 621 1HA GLY 82 HA2 GLY 82 -8.485 13.464 -8.667 622 2HA GLY 82 HA3 GLY 82 -8.861 13.965 -10.315 623 H LYS 83 H LYS 83 -7.626 10.975 -10.788 624 HA LYS 83 HA LYS 83 -10.189 9.608 -10.955 625 1HB LYS 83 HB2 LYS 83 -7.305 8.829 -11.488 626 2HB LYS 83 HB3 LYS 83 -8.649 7.703 -11.701 627 1HG LYS 83 HG2 LYS 83 -9.631 8.956 -13.431 628 2HG LYS 83 HG3 LYS 83 -8.669 10.399 -13.052 629 1HD LYS 83 HD2 LYS 83 -6.587 9.062 -13.624 630 2HD LYS 83 HD3 LYS 83 -7.647 7.799 -14.283 631 1HE LYS 83 HE2 LYS 83 -8.019 10.704 -15.067 632 2HE LYS 83 HE3 LYS 83 -6.687 9.803 -15.794 633 1HZ LYS 83 HZ1 LYS 83 -8.825 9.777 -17.042 634 2HZ LYS 83 HZ2 LYS 83 -8.188 8.291 -16.742 635 3HZ LYS 83 HZ3 LYS 83 -9.470 8.826 -15.859 636 H VAL 84 H VAL 84 -9.690 10.403 -8.268 637 HA VAL 84 HA VAL 84 -8.884 8.637 -6.429 638 HB VAL 84 HB VAL 84 -10.043 10.753 -6.084 639 1HG1 VAL 84 HG1 VAL 84 -12.579 9.139 -6.364 640 2HG1 VAL 84 HG1 VAL 84 -12.430 10.842 -5.897 641 3HG1 VAL 84 HG1 VAL 84 -11.991 10.346 -7.550 642 1HG2 VAL 84 HG2 VAL 84 -9.579 9.379 -4.215 643 2HG2 VAL 84 HG2 VAL 84 -11.237 9.978 -4.003 644 3HG2 VAL 84 HG2 VAL 84 -10.983 8.320 -4.527 645 H LYS 85 H LYS 85 -11.757 8.100 -8.481 646 HA LYS 85 HA LYS 85 -12.600 5.621 -7.374 647 1HB LYS 85 HB2 LYS 85 -12.690 6.824 -10.171 648 2HB LYS 85 HB3 LYS 85 -13.174 5.153 -9.916 649 1HG LYS 85 HG2 LYS 85 -15.168 5.786 -9.346 650 2HG LYS 85 HG3 LYS 85 -14.527 6.492 -7.860 651 1HD LYS 85 HD2 LYS 85 -14.466 8.670 -8.770 652 2HD LYS 85 HD3 LYS 85 -14.508 8.070 -10.460 653 1HE LYS 85 HE2 LYS 85 -16.707 7.133 -10.165 654 2HE LYS 85 HE3 LYS 85 -16.730 7.558 -8.446 655 1HZ LYS 85 HZ1 LYS 85 -17.941 9.064 -10.029 656 2HZ LYS 85 HZ2 LYS 85 -16.921 9.800 -8.967 657 3HZ LYS 85 HZ3 LYS 85 -16.471 9.602 -10.544 658 H GLU 86 H GLU 86 -10.343 6.150 -10.145 659 HA GLU 86 HA GLU 86 -10.026 3.332 -10.562 660 1HB GLU 86 HB2 GLU 86 -8.181 5.615 -11.273 661 2HB GLU 86 HB3 GLU 86 -8.093 4.006 -11.961 662 1HG GLU 86 HG2 GLU 86 -10.593 5.730 -12.262 663 2HG GLU 86 HG3 GLU 86 -9.197 5.950 -13.307 664 H ALA 87 H ALA 87 -8.492 5.711 -8.437 665 HA ALA 87 HA ALA 87 -6.197 4.167 -7.672 666 1HB ALA 87 HB1 ALA 87 -6.981 5.692 -5.438 667 2HB ALA 87 HB2 ALA 87 -5.862 6.188 -6.712 668 3HB ALA 87 HB3 ALA 87 -7.568 6.632 -6.815 669 H GLN 88 H GLN 88 -9.489 4.438 -6.337 670 HA GLN 88 HA GLN 88 -9.158 2.550 -4.224 671 1HB GLN 88 HB2 GLN 88 -10.695 4.388 -4.275 672 2HB GLN 88 HB3 GLN 88 -11.563 3.760 -5.656 673 1HG GLN 88 HG2 GLN 88 -11.522 2.435 -2.912 674 2HG GLN 88 HG3 GLN 88 -12.670 3.669 -3.417 675 1HE2 GLN 88 HE2 GLN 88 -14.669 2.840 -3.970 676 2HE2 GLN 88 HE2 GLN 88 -14.841 1.252 -4.711 677 H ALA 89 H ALA 89 -10.238 2.197 -7.626 678 HA ALA 89 HA ALA 89 -10.934 -0.570 -7.470 679 1HB ALA 89 HB1 ALA 89 -10.325 -0.413 -10.024 680 2HB ALA 89 HB2 ALA 89 -11.699 0.525 -9.406 681 3HB ALA 89 HB3 ALA 89 -10.137 1.316 -9.705 682 H ALA 90 H ALA 90 -7.853 1.015 -8.496 683 HA ALA 90 HA ALA 90 -6.455 -1.468 -8.781 684 1HB ALA 90 HB1 ALA 90 -5.530 1.414 -8.485 685 2HB ALA 90 HB2 ALA 90 -4.422 0.043 -8.728 686 3HB ALA 90 HB3 ALA 90 -5.630 0.434 -9.970 687 H ALA 91 H ALA 91 -7.374 0.327 -5.897 688 HA ALA 91 HA ALA 91 -5.235 -0.595 -4.266 689 1HB ALA 91 HB1 ALA 91 -6.317 0.571 -2.765 690 2HB ALA 91 HB2 ALA 91 -7.702 0.777 -3.838 691 3HB ALA 91 HB3 ALA 91 -7.655 -0.604 -2.726 692 H GLU 92 H GLU 92 -8.142 -2.288 -5.520 693 HA GLU 92 HA GLU 92 -7.840 -4.634 -3.910 694 1HB GLU 92 HB2 GLU 92 -8.983 -4.076 -6.654 695 2HB GLU 92 HB3 GLU 92 -8.896 -5.709 -6.054 696 1HG GLU 92 HG2 GLU 92 -10.093 -3.593 -4.249 697 2HG GLU 92 HG3 GLU 92 -11.036 -4.116 -5.636 698 H GLN 93 H GLN 93 -6.011 -3.449 -6.763 699 HA GLN 93 HA GLN 93 -4.729 -6.014 -7.226 700 1HB GLN 93 HB2 GLN 93 -3.702 -3.226 -7.901 701 2HB GLN 93 HB3 GLN 93 -3.116 -4.724 -8.586 702 1HG GLN 93 HG2 GLN 93 -6.037 -3.948 -8.958 703 2HG GLN 93 HG3 GLN 93 -4.770 -3.203 -9.922 704 1HE2 GLN 93 HE2 GLN 93 -5.302 -6.689 -8.841 705 2HE2 GLN 93 HE2 GLN 93 -5.097 -7.258 -10.487 706 H LEU 94 H LEU 94 -4.114 -3.310 -5.033 707 HA LEU 94 HA LEU 94 -1.400 -4.138 -4.405 708 1HB LEU 94 HB2 LEU 94 -3.401 -2.605 -2.689 709 2HB LEU 94 HB3 LEU 94 -1.652 -2.669 -2.456 710 HG LEU 94 HG LEU 94 -3.090 -1.483 -4.881 711 1HD1 LEU 94 HD1 LEU 94 -1.526 -0.178 -2.638 712 2HD1 LEU 94 HD1 LEU 94 -2.149 0.649 -4.083 713 3HD1 LEU 94 HD1 LEU 94 -3.285 -0.051 -2.928 714 1HD2 LEU 94 HD2 LEU 94 -0.948 -2.431 -5.593 715 2HD2 LEU 94 HD2 LEU 94 -0.832 -0.676 -5.522 716 3HD2 LEU 94 HD2 LEU 94 -0.122 -1.644 -4.218 717 H LYS 95 H LYS 95 -4.567 -5.294 -3.549 718 HA LYS 95 HA LYS 95 -3.771 -6.521 -1.126 719 1HB LYS 95 HB2 LYS 95 -6.104 -5.856 -2.074 720 2HB LYS 95 HB3 LYS 95 -6.047 -7.361 -3.002 721 1HG LYS 95 HG2 LYS 95 -6.050 -8.695 -0.975 722 2HG LYS 95 HG3 LYS 95 -5.915 -7.220 0.029 723 1HD LYS 95 HD2 LYS 95 -8.016 -6.355 -0.983 724 2HD LYS 95 HD3 LYS 95 -8.174 -7.839 -1.943 725 1HE LYS 95 HE2 LYS 95 -8.374 -9.159 0.137 726 2HE LYS 95 HE3 LYS 95 -8.121 -7.684 1.094 727 1HZ LYS 95 HZ1 LYS 95 -10.133 -6.831 -0.249 728 2HZ LYS 95 HZ2 LYS 95 -10.443 -8.401 -0.556 729 3HZ LYS 95 HZ3 LYS 95 -10.411 -7.863 1.005 730 H THR 96 H THR 96 -3.262 -7.542 -4.525 731 HA THR 96 HA THR 96 -3.172 -10.368 -3.888 732 HB THR 96 HB THR 96 -2.482 -10.764 -5.937 733 HG1 THR 96 HG1 THR 96 -1.164 -9.022 -7.140 734 1HG2 THR 96 HG2 THR 96 -3.153 -7.970 -6.830 735 2HG2 THR 96 HG2 THR 96 -3.409 -9.487 -7.676 736 3HG2 THR 96 HG2 THR 96 -4.433 -9.078 -6.279 737 H THR 97 H THR 97 -0.850 -7.664 -4.230 738 HA THR 97 HA THR 97 1.272 -9.359 -3.535 739 HB THR 97 HB THR 97 0.864 -6.345 -3.450 740 HG1 THR 97 HG1 THR 97 1.196 -6.459 -5.506 741 1HG2 THR 97 HG2 THR 97 3.457 -7.951 -3.360 742 2HG2 THR 97 HG2 THR 97 3.389 -6.243 -3.860 743 3HG2 THR 97 HG2 THR 97 2.879 -6.693 -2.236 744 H ARG 98 H ARG 98 -1.098 -7.794 -1.495 745 HA ARG 98 HA ARG 98 0.492 -8.575 0.890 746 1HB ARG 98 HB2 ARG 98 -0.857 -7.351 2.157 747 2HB ARG 98 HB3 ARG 98 -1.264 -6.527 0.634 748 1HG ARG 98 HG2 ARG 98 -3.259 -8.013 0.447 749 2HG ARG 98 HG3 ARG 98 -2.748 -8.835 1.912 750 1HD ARG 98 HD2 ARG 98 -3.093 -6.774 3.209 751 2HD ARG 98 HD3 ARG 98 -4.076 -6.212 1.816 752 HE ARG 98 HE ARG 98 -4.819 -8.783 2.043 753 1HH1 ARG 98 HH2 ARG 98 -4.898 -6.349 4.557 754 2HH1 ARG 98 HH2 ARG 98 -5.570 -7.385 5.766 755 1HH2 ARG 98 HH1 ARG 98 -5.654 -10.216 3.585 756 2HH2 ARG 98 HH1 ARG 98 -6.128 -9.634 5.136 757 H ASN 99 H ASN 99 -1.617 -10.242 -1.296 758 HA ASN 99 HA ASN 99 -2.249 -12.213 0.870 759 1HB ASN 99 HB2 ASN 99 -4.162 -11.200 -0.422 760 2HB ASN 99 HB3 ASN 99 -3.558 -12.015 -1.868 761 1HD2 ASN 99 HD2 ASN 99 -5.476 -13.459 -2.002 762 2HD2 ASN 99 HD2 ASN 99 -5.664 -14.702 -0.778 763 H ALA 100 H ALA 100 -1.469 -12.202 -2.620 764 HA ALA 100 HA ALA 100 -0.447 -14.896 -2.696 765 1HB ALA 100 HB1 ALA 100 -0.663 -12.594 -4.521 766 2HB ALA 100 HB2 ALA 100 0.901 -13.397 -4.662 767 3HB ALA 100 HB3 ALA 100 -0.589 -14.334 -4.884 768 H TYR 101 H TYR 101 1.320 -11.663 -2.670 769 HA TYR 101 HA TYR 101 3.687 -13.166 -2.360 770 1HB TYR 101 HB2 TYR 101 3.242 -10.553 -3.025 771 2HB TYR 101 HB3 TYR 101 3.770 -10.371 -1.355 772 HD1 TYR 101 HD1 TYR 101 5.244 -13.110 -3.517 773 HD2 TYR 101 HD2 TYR 101 5.687 -9.092 -1.987 774 HE1 TYR 101 HE1 TYR 101 7.567 -13.114 -4.233 775 HE2 TYR 101 HE2 TYR 101 8.116 -9.211 -2.665 776 HH TYR 101 HH TYR 101 9.675 -10.237 -3.902 777 H HIS 102 HN HIS 102 1.390 -12.078 -0.022 778 HA HIS 102 HA HIS 102 3.112 -12.375 2.244 779 1HB HIS 102 HB2 HIS 102 0.168 -12.363 1.760 780 2HB HIS 102 HB3 HIS 102 0.678 -13.241 3.154 781 HD1 HIS 102 HD1 HIS 102 -0.949 -11.309 4.180 782 HD2 HIS 102 HD2 HIS 102 2.864 -10.127 2.888 783 HE1 HIS 102 HE1 HIS 102 -0.457 -9.141 5.365 784 H GLN 103 H GLN 103 1.114 -14.809 0.325 785 HA GLN 103 HA GLN 103 1.699 -16.933 2.120 786 1HB GLN 103 HB2 GLN 103 1.682 -17.127 -0.926 787 2HB GLN 103 HB3 GLN 103 1.724 -18.458 0.219 788 1HG GLN 103 HG2 GLN 103 -0.558 -17.368 1.088 789 2HG GLN 103 HG3 GLN 103 -0.590 -16.760 -0.586 790 1HE2 GLN 103 HE2 GLN 103 -1.350 -19.485 1.360 791 2HE2 GLN 103 HE2 GLN 103 -1.212 -20.712 0.109 792 H LYS 104 H LYS 104 3.803 -15.460 -0.412 793 HA LYS 104 HA LYS 104 5.759 -17.607 -0.194 794 1HB LYS 104 HB2 LYS 104 6.523 -14.784 -0.948 795 2HB LYS 104 HB3 LYS 104 7.277 -16.303 -1.417 796 1HG LYS 104 HG2 LYS 104 4.680 -15.102 -2.389 797 2HG LYS 104 HG3 LYS 104 6.192 -15.351 -3.277 798 1HD LYS 104 HD2 LYS 104 5.812 -17.831 -3.089 799 2HD LYS 104 HD3 LYS 104 4.194 -17.474 -2.410 800 1HE LYS 104 HE2 LYS 104 3.404 -16.514 -4.362 801 2HE LYS 104 HE3 LYS 104 4.996 -15.919 -4.839 802 1HZ LYS 104 HZ1 LYS 104 5.615 -18.029 -5.599 803 2HZ LYS 104 HZ2 LYS 104 4.263 -18.759 -4.998 804 3HZ LYS 104 HZ3 LYS 104 4.145 -17.701 -6.255 805 H TYR 105 H TYR 105 5.269 -14.446 1.336 806 HA TYR 105 HA TYR 105 7.738 -14.806 2.934 807 1HB TYR 105 HB2 TYR 105 6.725 -12.455 1.341 808 2HB TYR 105 HB3 TYR 105 8.079 -12.370 2.468 809 HD1 TYR 105 HD1 TYR 105 7.845 -12.068 -0.739 810 HD2 TYR 105 HD2 TYR 105 9.413 -15.084 1.943 811 HE1 TYR 105 HE1 TYR 105 9.630 -12.707 -2.383 812 HE2 TYR 105 HE2 TYR 105 11.008 -15.786 0.243 813 HH TYR 105 HH TYR 105 12.210 -13.910 -1.848 814 H ARG 106 H ARG 106 4.896 -15.254 3.775 815 HA ARG 106 HA ARG 106 4.901 -13.987 6.153 816 1HB ARG 106 HB2 ARG 106 4.646 -12.034 5.389 817 2HB ARG 106 HB3 ARG 106 3.268 -12.606 4.308 818 1HG ARG 106 HG2 ARG 106 3.384 -11.831 7.117 819 2HG ARG 106 HG3 ARG 106 2.161 -11.413 5.924 820 1HD ARG 106 HD2 ARG 106 1.715 -14.081 6.332 821 2HD ARG 106 HD3 ARG 106 2.527 -13.564 7.868 822 HE ARG 106 HE ARG 106 0.250 -11.985 7.026 823 1HH1 ARG 106 HH2 ARG 106 1.533 -14.775 8.779 824 2HH1 ARG 106 HH2 ARG 106 0.186 -14.969 9.844 825 1HH2 ARG 106 HH1 ARG 106 -1.699 -12.344 8.310 826 2HH2 ARG 106 HH1 ARG 106 -1.739 -13.584 9.511 827 HHA HEM 107 HGM HEM 107 2.334 -9.411 9.085 828 HHB HEM 107 HDM HEM 107 -1.686 -5.569 6.019 829 HHC HEM 107 HAM HEM 107 2.316 -5.623 1.005 830 HHD HEM 107 HBM HEM 107 6.418 -9.439 4.239 831 1HMA HEM 107 HM8 HEM 107 -1.677 -6.140 9.440 832 2HMA HEM 107 HM8 HEM 107 -2.746 -6.429 7.988 833 3HMA HEM 107 HM8 HEM 107 -2.345 -7.759 9.139 834 1HAA HEM 107 HP7 HEM 107 0.999 -8.495 10.306 835 2HAA HEM 107 HP7 HEM 107 0.074 -9.856 9.977 836 1HBA HEM 107 HP7 HEM 107 -1.591 -7.597 11.021 837 2HBA HEM 107 HP7 HEM 107 0.034 -7.278 11.560 838 1HMB HEM 107 HM1 HEM 107 -1.732 -3.646 4.768 839 2HMB HEM 107 HM1 HEM 107 -1.898 -3.178 3.088 840 3HMB HEM 107 HM1 HEM 107 -2.776 -4.598 3.706 841 HAB HEM 107 HV2 HEM 107 0.456 -4.822 0.331 842 1HBB HEM 107 HV2 HEM 107 -1.958 -3.953 0.983 843 2HBB HEM 107 HV2 HEM 107 -0.961 -3.086 -0.205 844 1HMC HEM 107 HM3 HEM 107 4.603 -5.747 -0.139 845 2HMC HEM 107 HM3 HEM 107 5.288 -7.325 -0.593 846 3HMC HEM 107 HM3 HEM 107 3.540 -7.158 -0.366 847 HAC HEM 107 HV4 HEM 107 7.464 -8.578 2.440 848 1HBC HEM 107 HV4 HEM 107 7.525 -6.692 0.758 849 2HBC HEM 107 HV4 HEM 107 8.402 -8.170 0.276 850 1HMD HEM 107 HM5 HEM 107 7.470 -9.817 7.227 851 2HMD HEM 107 HM5 HEM 107 6.536 -11.273 7.724 852 3HMD HEM 107 HM5 HEM 107 7.033 -11.061 6.010 853 1HAD HEM 107 HP6 HEM 107 4.910 -11.691 9.020 854 2HAD HEM 107 HP6 HEM 107 3.545 -11.020 9.192 855 1HBD HEM 107 HP6 HEM 107 4.974 -8.851 9.953 856 2HBD HEM 107 HP6 HEM 107 6.036 -10.179 10.508
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