NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1585 | 1aqa | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H LYS 5 HN LYS 5 -5.555 -10.640 6.070 2 HA LYS 5 HA LYS 5 -6.459 -13.183 5.398 3 1HB LYS 5 2HB LYS 5 -8.264 -11.054 4.576 4 2HB LYS 5 3HB LYS 5 -7.391 -11.575 3.134 5 1HG LYS 5 2HG LYS 5 -8.026 -13.917 3.559 6 2HG LYS 5 3HG LYS 5 -8.836 -13.434 5.068 7 1HD LYS 5 2HG LYS 5 -10.396 -12.008 3.791 8 2HD LYS 5 3HG LYS 5 -9.589 -12.467 2.273 9 1HE LYS 5 2HE LYS 5 -10.177 -14.857 2.677 10 2HE LYS 5 3HE LYS 5 -10.957 -14.419 4.208 11 1HZ LYS 5 2HNZ LYS 5 -11.820 -13.518 1.539 12 2HZ LYS 5 1HNZ LYS 5 -12.536 -14.690 2.443 13 3HZ LYS 5 3HNZ LYS 5 -12.547 -13.134 2.969 14 H TYR 6 HN TYR 6 -5.196 -13.946 3.621 15 HA TYR 6 HA TYR 6 -2.790 -12.277 3.184 16 1HB TYR 6 2HB TYR 6 -3.413 -15.122 2.406 17 2HB TYR 6 3HB TYR 6 -1.822 -14.356 2.479 18 HD1 TYR 6 1HD TYR 6 -1.975 -13.003 5.188 19 HD2 TYR 6 2HG TYR 6 -3.283 -16.921 3.926 20 HE1 TYR 6 1HE TYR 6 -1.932 -13.762 7.521 21 HE2 TYR 6 2HE TYR 6 -3.235 -17.679 6.284 22 HH TYR 6 HOH TYR 6 -2.355 -15.497 8.972 23 H TYR 7 HN TYR 7 -1.915 -12.061 1.063 24 HA TYR 7 HA TYR 7 -3.542 -12.524 -1.302 25 1HB TYR 7 2HB TYR 7 -2.657 -9.761 -0.380 26 2HB TYR 7 3HB TYR 7 -3.047 -10.149 -2.051 27 HD1 TYR 7 1HD TYR 7 -5.386 -11.308 -2.469 28 HD2 TYR 7 2HG TYR 7 -4.429 -8.940 1.007 29 HE1 TYR 7 1HE TYR 7 -7.787 -10.861 -2.113 30 HE2 TYR 7 2HE TYR 7 -6.837 -8.456 1.329 31 HH TYR 7 HOH TYR 7 -9.344 -9.684 -0.895 32 H THR 8 HN THR 8 -2.092 -12.576 -3.169 33 HA THR 8 HA THR 8 0.742 -13.022 -2.433 34 HB THR 8 HB THR 8 0.634 -14.067 -4.787 35 HG1 THR 8 HOG THR 8 -1.534 -14.526 -5.455 36 1HG2 THR 8 2HG THR 8 -1.193 -15.220 -2.616 37 2HG2 THR 8 3HG THR 8 -0.486 -16.123 -3.970 38 3HG2 THR 8 1HG THR 8 0.568 -15.438 -2.720 39 H LEU 9 HN LEU 9 2.391 -11.943 -3.597 40 HA LEU 9 HA LEU 9 2.166 -9.444 -4.432 41 1HB LEU 9 2HB LEU 9 4.213 -11.254 -4.376 42 2HB LEU 9 3HB LEU 9 3.997 -11.121 -6.112 43 HG LEU 9 HG LEU 9 3.931 -8.551 -5.586 44 1HD1 LEU 9 1HD1 LEU 9 3.931 -8.802 -3.099 45 2HD1 LEU 9 2HD1 LEU 9 5.534 -9.553 -3.191 46 3HD1 LEU 9 3HD1 LEU 9 5.317 -7.858 -3.672 47 1HD2 LEU 9 1HG2 LEU 9 5.692 -9.646 -6.931 48 2HD2 LEU 9 2HG2 LEU 9 6.403 -8.416 -5.870 49 3HD2 LEU 9 3HG2 LEU 9 6.535 -10.138 -5.444 50 H GLU 10 HN GLU 10 1.339 -12.237 -6.462 51 HA GLU 10 HA GLU 10 1.182 -10.990 -8.962 52 1HB GLU 10 2HB GLU 10 0.909 -13.477 -8.441 53 2HB GLU 10 3HB GLU 10 -0.751 -13.124 -7.950 54 1HG GLU 10 2HG GLU 10 -0.901 -11.963 -10.309 55 2HG GLU 10 3HG GLU 10 0.536 -12.902 -10.683 56 H GLU 11 HN GLU 11 -1.515 -11.449 -6.601 57 HA GLU 11 HA GLU 11 -3.399 -9.959 -8.148 58 1HB GLU 11 2HB GLU 11 -3.496 -11.514 -5.765 59 2HB GLU 11 3HB GLU 11 -3.959 -9.870 -5.279 60 1HG GLU 11 2HG GLU 11 -5.948 -11.071 -5.864 61 2HG GLU 11 3HG GLU 11 -5.664 -9.843 -7.106 62 H ILE 12 HN ILE 12 -1.278 -9.141 -5.445 63 HA ILE 12 HA ILE 12 -2.015 -6.458 -5.013 64 HB ILE 12 HB ILE 12 0.638 -7.909 -4.845 65 1HG1 ILE 12 2HG1 ILE 12 -1.307 -8.648 -3.348 66 2HG1 ILE 12 3HG1 ILE 12 0.231 -8.278 -2.573 67 1HG2 ILE 12 2HG2 ILE 12 0.007 -5.135 -3.815 68 2HG2 ILE 12 3HG2 ILE 12 1.392 -6.114 -3.310 69 3HG2 ILE 12 1HG2 ILE 12 1.260 -5.636 -4.992 70 1HD1 ILE 12 3HG ILE 12 -1.983 -6.211 -2.773 71 2HD1 ILE 12 1HD ILE 12 -1.886 -7.411 -1.462 72 3HD1 ILE 12 2HG ILE 12 -0.584 -6.219 -1.694 73 H GLN 13 HN GLN 13 0.684 -7.571 -7.120 74 HA GLN 13 HA GLN 13 1.315 -5.217 -8.355 75 1HB GLN 13 2HB GLN 13 2.506 -7.468 -8.501 76 2HB GLN 13 3HB GLN 13 1.363 -7.874 -9.795 77 1HG GLN 13 2HG GLN 13 2.159 -5.630 -10.886 78 2HG GLN 13 3HG GLN 13 3.440 -5.644 -9.670 79 1HE2 GLN 13 2HNE GLN 13 5.405 -7.686 -11.809 80 2HE2 GLN 13 1HNE GLN 13 5.358 -6.478 -10.545 81 H LYS 14 HN LYS 14 -1.294 -7.498 -9.396 82 HA LYS 14 HA LYS 14 -2.010 -6.097 -11.790 83 1HB LYS 14 2HB LYS 14 -3.809 -7.544 -9.805 84 2HB LYS 14 3HB LYS 14 -4.314 -6.978 -11.397 85 1HG LYS 14 2HG LYS 14 -2.774 -8.507 -12.508 86 2HG LYS 14 3HG LYS 14 -2.095 -8.994 -10.945 87 1HD LYS 14 2HG LYS 14 -4.380 -9.752 -10.232 88 2HD LYS 14 3HG LYS 14 -4.988 -9.439 -11.860 89 1HE LYS 14 2HE LYS 14 -3.579 -11.185 -12.811 90 2HE LYS 14 3HE LYS 14 -2.565 -11.206 -11.373 91 1HZ LYS 14 2HNZ LYS 14 -4.579 -12.012 -10.152 92 2HZ LYS 14 3HNZ LYS 14 -5.201 -12.408 -11.605 93 3HZ LYS 14 1HNZ LYS 14 -3.741 -13.042 -11.109 94 H HIS 15 HN HIS 15 -2.963 -5.610 -8.378 95 HA HIS 15 HA HIS 15 -4.902 -3.529 -9.063 96 1HB HIS 15 2HB HIS 15 -3.919 -4.642 -6.410 97 2HB HIS 15 3HB HIS 15 -5.283 -3.546 -6.619 98 HD1 HIS 15 HND HIS 15 -6.158 -6.078 -5.285 99 HD2 HIS 15 HD HIS 15 -5.712 -5.854 -9.451 100 HE1 HIS 15 HE HIS 15 -7.619 -7.902 -6.276 101 H LYS 16 HN LYS 16 -3.078 -2.277 -10.193 102 HA LYS 16 HA LYS 16 -1.290 -0.755 -8.420 103 1HB LYS 16 2HB LYS 16 -1.637 -1.188 -11.397 104 2HB LYS 16 3HB LYS 16 -0.953 0.348 -10.844 105 1HG LYS 16 2HG LYS 16 0.828 -0.667 -9.696 106 2HG LYS 16 3HG LYS 16 0.130 -2.292 -9.836 107 1HD LYS 16 2HG LYS 16 0.447 -2.268 -12.256 108 2HD LYS 16 3HG LYS 16 1.004 -0.575 -12.204 109 1HE LYS 16 2HE LYS 16 2.939 -1.237 -10.789 110 2HE LYS 16 3HE LYS 16 2.379 -2.917 -10.782 111 1HZ LYS 16 3HNZ LYS 16 3.231 -1.415 -13.171 112 2HZ LYS 16 1HNZ LYS 16 4.121 -2.550 -12.381 113 3HZ LYS 16 2HNZ LYS 16 2.733 -2.987 -13.150 114 H ASP 17 HN ASP 17 -3.916 -0.186 -10.889 115 HA ASP 17 HA ASP 17 -4.766 2.162 -9.382 116 1HB ASP 17 2HB ASP 17 -3.873 3.714 -10.907 117 2HB ASP 17 3HB ASP 17 -2.544 2.604 -10.502 118 H SER 18 HN SER 18 -6.685 2.992 -10.042 119 HA SER 18 HA SER 18 -8.507 3.455 -11.199 120 1HB SER 18 2HB SER 18 -7.208 3.115 -13.379 121 2HB SER 18 3HB SER 18 -7.824 1.447 -13.384 122 HG SER 18 HOG SER 18 -9.192 2.926 -14.514 123 H LYS 19 HN LYS 19 -9.617 2.648 -9.499 124 HA LYS 19 HA LYS 19 -11.307 1.490 -8.670 125 1HB LYS 19 2HB LYS 19 -11.701 1.135 -11.143 126 2HB LYS 19 3HB LYS 19 -11.045 -0.487 -10.934 127 1HG LYS 19 2HG LYS 19 -13.437 -0.565 -10.931 128 2HG LYS 19 3HG LYS 19 -12.832 -1.081 -9.365 129 1HD LYS 19 2HG LYS 19 -13.486 1.849 -9.660 130 2HD LYS 19 3HG LYS 19 -14.862 0.778 -9.821 131 1HE LYS 19 2HE LYS 19 -12.990 0.817 -7.390 132 2HE LYS 19 3HE LYS 19 -14.551 1.635 -7.503 133 1HZ LYS 19 2HNZ LYS 19 -15.569 -0.533 -7.828 134 2HZ LYS 19 3HNZ LYS 19 -14.103 -1.268 -7.648 135 3HZ LYS 19 1HNZ LYS 19 -14.764 -0.439 -6.398 136 H SER 20 HN SER 20 -8.235 0.094 -9.007 137 HA SER 20 HA SER 20 -8.531 -1.454 -6.546 138 1HB SER 20 2HB SER 20 -7.804 -2.743 -9.217 139 2HB SER 20 3HB SER 20 -7.452 -3.464 -7.638 140 HG SER 20 HOG SER 20 -10.069 -2.610 -8.065 141 H THR 21 HN THR 21 -6.954 -0.146 -5.529 142 HA THR 21 HA THR 21 -4.320 0.164 -6.856 143 HB THR 21 HB THR 21 -5.995 2.277 -5.455 144 HG1 THR 21 HOG THR 21 -5.802 3.092 -7.787 145 1HG2 THR 21 3HG THR 21 -3.383 2.431 -5.486 146 2HG2 THR 21 1HG THR 21 -3.642 3.017 -7.140 147 3HG2 THR 21 2HG THR 21 -4.398 3.842 -5.787 148 H TRP 22 HN TRP 22 -3.622 -1.539 -5.414 149 HA TRP 22 HA TRP 22 -4.162 -1.074 -2.508 150 1HB TRP 22 2HB TRP 22 -3.292 -3.580 -3.947 151 2HB TRP 22 3HB TRP 22 -3.619 -3.403 -2.218 152 HD1 TRP 22 HD TRP 22 -6.399 -1.674 -3.805 153 HE1 TRP 22 HNE TRP 22 -8.466 -3.131 -3.869 154 HE3 TRP 22 HE TRP 22 -4.200 -6.219 -2.961 155 HZ2 TRP 22 1HZ TRP 22 -9.126 -5.935 -3.583 156 HZ3 TRP 22 2HZ TRP 22 -5.566 -8.269 -2.935 157 HH2 TRP 22 HH TRP 22 -8.036 -8.144 -3.201 158 H VAL 23 HN VAL 23 -2.380 -1.530 -0.969 159 HA VAL 23 HA VAL 23 0.353 -1.125 -2.096 160 HB VAL 23 HB VAL 23 0.668 0.633 -0.328 161 1HG1 VAL 23 2HG1 VAL 23 0.285 1.223 -2.731 162 2HG1 VAL 23 3HG1 VAL 23 -1.447 1.445 -2.366 163 3HG1 VAL 23 1HG1 VAL 23 -0.230 2.474 -1.595 164 1HG2 VAL 23 1HG2 VAL 23 -1.401 0.127 1.075 165 2HG2 VAL 23 2HG2 VAL 23 -1.205 1.819 0.631 166 3HG2 VAL 23 3HG2 VAL 23 -2.379 0.807 -0.228 167 H ILE 24 HN ILE 24 1.940 -2.352 -0.845 168 HA ILE 24 HA ILE 24 0.755 -3.779 1.468 169 HB ILE 24 HB ILE 24 3.529 -3.968 0.256 170 1HG1 ILE 24 2HG1 ILE 24 1.367 -6.013 -0.141 171 2HG1 ILE 24 3HG1 ILE 24 1.579 -4.703 -1.301 172 1HG2 ILE 24 1HG2 ILE 24 3.372 -4.686 2.628 173 2HG2 ILE 24 2HG2 ILE 24 1.997 -5.733 2.224 174 3HG2 ILE 24 3HG2 ILE 24 3.613 -6.080 1.594 175 1HD1 ILE 24 1HD ILE 24 3.919 -6.475 -0.533 176 2HD1 ILE 24 3HG ILE 24 2.839 -6.843 -1.868 177 3HD1 ILE 24 2HG ILE 24 3.784 -5.341 -1.877 178 H LEU 25 HN LEU 25 0.639 -2.228 3.157 179 HA LEU 25 HA LEU 25 3.078 -0.601 3.702 180 1HB LEU 25 2HB LEU 25 0.200 -0.117 4.427 181 2HB LEU 25 3HB LEU 25 1.572 0.857 4.986 182 HG LEU 25 HG LEU 25 0.515 0.583 2.152 183 1HD1 LEU 25 1HD1 LEU 25 0.930 2.923 4.056 184 2HD1 LEU 25 3HD1 LEU 25 0.549 3.131 2.337 185 3HD1 LEU 25 2HD1 LEU 25 -0.599 2.339 3.393 186 1HD2 LEU 25 1HG2 LEU 25 3.169 1.694 3.071 187 2HD2 LEU 25 2HG2 LEU 25 2.837 0.472 1.826 188 3HD2 LEU 25 3HG2 LEU 25 2.412 2.152 1.524 189 H HIS 26 HN HIS 26 4.347 -1.687 4.989 190 HA HIS 26 HA HIS 26 5.177 -2.632 6.813 191 1HB HIS 26 2HB HIS 26 4.080 -0.462 7.762 192 2HB HIS 26 3HB HIS 26 2.871 -1.537 8.469 193 HD1 HIS 26 HND HIS 26 6.461 -0.319 8.889 194 HD2 HIS 26 HD HIS 26 3.836 -3.237 10.465 195 HE1 HIS 26 HE HIS 26 7.523 -1.202 11.018 196 H HIS 27 HN HIS 27 4.043 -4.172 5.232 197 HA HIS 27 HA HIS 27 3.092 -6.209 4.882 198 1HB HIS 27 2HB HIS 27 3.772 -6.630 7.823 199 2HB HIS 27 3HB HIS 27 3.169 -7.895 6.753 200 HD1 HIS 27 HND HIS 27 6.402 -6.365 7.739 201 HD2 HIS 27 HD HIS 27 4.711 -8.462 4.502 202 HE1 HIS 27 HE HIS 27 8.347 -7.356 6.400 203 H LYS 28 HN LYS 28 1.188 -4.689 4.644 204 HA LYS 28 HA LYS 28 -1.109 -5.885 5.604 205 1HB LYS 28 2HB LYS 28 -0.100 -3.795 7.346 206 2HB LYS 28 3HB LYS 28 -1.641 -3.297 6.656 207 1HG LYS 28 2HG LYS 28 -2.835 -4.952 7.736 208 2HG LYS 28 3HG LYS 28 -1.535 -6.131 7.613 209 1HD LYS 28 2HG LYS 28 -0.239 -4.993 9.343 210 2HD LYS 28 3HG LYS 28 -1.600 -3.908 9.642 211 1HE LYS 28 2HE LYS 28 -2.768 -5.585 10.804 212 2HE LYS 28 3HE LYS 28 -2.498 -6.745 9.522 213 1HZ LYS 28 3HNZ LYS 28 -0.141 -6.834 10.496 214 2HZ LYS 28 1HNZ LYS 28 -0.917 -6.381 11.897 215 3HZ LYS 28 2HNZ LYS 28 -1.332 -7.745 11.051 216 H VAL 29 HN VAL 29 -2.551 -5.742 4.127 217 HA VAL 29 HA VAL 29 -1.993 -3.995 1.839 218 HB VAL 29 HB VAL 29 -4.171 -6.089 2.052 219 1HG1 VAL 29 3HG1 VAL 29 -4.260 -4.400 0.185 220 2HG1 VAL 29 1HG1 VAL 29 -2.631 -4.909 -0.303 221 3HG1 VAL 29 2HG1 VAL 29 -3.987 -6.058 -0.388 222 1HG2 VAL 29 1HG2 VAL 29 -1.247 -6.441 1.346 223 2HG2 VAL 29 2HG2 VAL 29 -2.259 -7.333 2.516 224 3HG2 VAL 29 3HG2 VAL 29 -2.524 -7.548 0.790 225 H TYR 30 HN TYR 30 -3.090 -2.131 1.581 226 HA TYR 30 HA TYR 30 -5.774 -1.802 2.734 227 1HB TYR 30 2HB TYR 30 -3.930 0.478 2.012 228 2HB TYR 30 3HB TYR 30 -5.461 0.542 2.878 229 HD1 TYR 30 1HD TYR 30 -4.726 -1.739 4.921 230 HD2 TYR 30 2HG TYR 30 -2.674 1.758 3.521 231 HE1 TYR 30 1HE TYR 30 -3.335 -1.720 6.985 232 HE2 TYR 30 2HE TYR 30 -1.116 1.591 5.473 233 HH TYR 30 HOH TYR 30 -1.164 0.929 7.754 234 H ASP 31 HN ASP 31 -7.071 -1.551 1.148 235 HA ASP 31 HA ASP 31 -6.193 -0.989 -1.644 236 1HB ASP 31 2HB ASP 31 -8.365 -1.116 -2.364 237 2HB ASP 31 3HB ASP 31 -8.395 -2.320 -1.073 238 H LEU 32 HN LEU 32 -6.054 1.131 -2.405 239 HA LEU 32 HA LEU 32 -7.597 3.146 -0.947 240 1HB LEU 32 2HB LEU 32 -5.622 4.722 -0.989 241 2HB LEU 32 3HB LEU 32 -5.522 3.357 0.108 242 HG LEU 32 HG LEU 32 -4.043 2.185 -1.605 243 1HD1 LEU 32 1HD1 LEU 32 -3.932 5.024 -2.741 244 2HD1 LEU 32 2HD1 LEU 32 -2.844 3.684 -3.168 245 3HD1 LEU 32 3HD1 LEU 32 -4.563 3.584 -3.569 246 1HD2 LEU 32 2HG2 LEU 32 -3.234 4.782 -0.248 247 2HD2 LEU 32 3HG2 LEU 32 -3.249 3.146 0.450 248 3HD2 LEU 32 1HG2 LEU 32 -2.104 3.551 -0.846 249 H THR 33 HN THR 33 -8.088 1.720 -3.276 250 HA THR 33 HA THR 33 -8.007 3.447 -5.590 251 HB THR 33 HB THR 33 -8.418 1.143 -5.875 252 HG1 THR 33 HOG THR 33 -10.703 2.668 -6.426 253 1HG2 THR 33 3HG THR 33 -10.957 1.451 -4.210 254 2HG2 THR 33 1HG THR 33 -10.550 0.044 -5.207 255 3HG2 THR 33 2HG THR 33 -9.548 0.457 -3.818 256 H LYS 34 HN LYS 34 -8.476 5.359 -3.912 257 HA LYS 34 HA LYS 34 -10.729 6.655 -4.972 258 1HB LYS 34 2HB LYS 34 -12.030 5.222 -3.331 259 2HB LYS 34 3HB LYS 34 -11.006 5.826 -2.044 260 1HG LYS 34 2HG LYS 34 -12.935 6.985 -1.773 261 2HG LYS 34 3HG LYS 34 -11.952 8.183 -2.578 262 1HD LYS 34 2HG LYS 34 -13.910 6.322 -4.049 263 2HD LYS 34 3HG LYS 34 -14.472 7.780 -3.254 264 1HE LYS 34 2HE LYS 34 -12.484 7.723 -5.577 265 2HE LYS 34 3HE LYS 34 -14.193 8.116 -5.665 266 1HZ LYS 34 3HNZ LYS 34 -13.790 10.032 -4.275 267 2HZ LYS 34 1HNZ LYS 34 -12.182 9.673 -4.167 268 3HZ LYS 34 2HNZ LYS 34 -12.828 10.074 -5.589 269 H PHE 35 HN PHE 35 -8.812 6.335 -2.044 270 HA PHE 35 HA PHE 35 -8.444 8.966 -1.294 271 1HB PHE 35 2HB PHE 35 -7.936 6.920 0.026 272 2HB PHE 35 3HB PHE 35 -6.546 6.630 -1.026 273 HD1 PHE 35 2HG PHE 35 -8.033 9.209 1.274 274 HD2 PHE 35 1HD PHE 35 -4.429 7.522 -0.422 275 HE1 PHE 35 2HE PHE 35 -6.686 10.863 2.494 276 HE2 PHE 35 1HE PHE 35 -3.079 9.081 0.912 277 HZ PHE 35 HZ PHE 35 -4.200 10.847 2.284 278 H LEU 36 HN LEU 36 -6.832 7.206 -3.867 279 HA LEU 36 HA LEU 36 -4.728 8.703 -4.757 280 1HB LEU 36 2HB LEU 36 -7.196 7.677 -6.174 281 2HB LEU 36 3HB LEU 36 -5.888 8.448 -7.072 282 HG LEU 36 HG LEU 36 -5.352 6.075 -5.243 283 1HD1 LEU 36 3HD1 LEU 36 -6.393 6.203 -8.085 284 2HD1 LEU 36 1HD1 LEU 36 -5.264 4.932 -7.616 285 3HD1 LEU 36 2HD1 LEU 36 -6.828 5.086 -6.767 286 1HD2 LEU 36 1HG2 LEU 36 -3.420 7.464 -6.015 287 2HD2 LEU 36 2HG2 LEU 36 -3.353 5.824 -6.651 288 3HD2 LEU 36 3HG2 LEU 36 -3.893 7.147 -7.697 289 H GLU 37 HN GLU 37 -8.123 9.713 -4.997 290 HA GLU 37 HA GLU 37 -7.550 12.187 -6.382 291 1HB GLU 37 2HB GLU 37 -9.616 10.648 -6.437 292 2HB GLU 37 3HB GLU 37 -10.055 11.355 -4.873 293 1HG GLU 37 2HG GLU 37 -10.174 13.596 -5.976 294 2HG GLU 37 3HG GLU 37 -9.696 12.851 -7.509 295 H GLU 38 HN GLU 38 -7.476 11.214 -3.074 296 HA GLU 38 HA GLU 38 -8.480 13.742 -1.957 297 1HB GLU 38 2HB GLU 38 -9.315 11.343 -1.497 298 2HB GLU 38 3HB GLU 38 -7.822 11.123 -0.569 299 1HG GLU 38 2HG GLU 38 -8.521 12.969 0.933 300 2HG GLU 38 3HG GLU 38 -10.005 13.174 -0.022 301 H HIS 39 HN HIS 39 -5.640 11.570 -1.820 302 HA HIS 39 HA HIS 39 -4.192 12.648 0.250 303 1HB HIS 39 2HB HIS 39 -3.629 10.663 -1.227 304 2HB HIS 39 3HB HIS 39 -3.063 11.777 -2.440 305 HD1 HIS 39 HND HIS 39 -0.540 11.896 -2.451 306 HD2 HIS 39 HD HIS 39 -2.128 11.101 1.352 307 HE1 HIS 39 HE HIS 39 1.423 11.640 -0.866 308 HA PRO 40 HA PRO 40 -3.193 16.776 -1.268 309 1HB PRO 40 2HB PRO 40 -1.058 17.473 0.347 310 2HB PRO 40 3HB PRO 40 -2.749 17.441 0.926 311 1HG PRO 40 2HG PRO 40 -0.671 15.247 1.191 312 2HG PRO 40 3HG PRO 40 -1.716 15.920 2.475 313 1HD PRO 40 2HG PRO 40 -2.376 13.644 1.223 314 2HD PRO 40 3HG PRO 40 -3.651 14.841 1.565 315 H GLY 41 HN GLY 41 -0.872 14.224 -1.286 316 1HA GLY 41 2HA GLY 41 0.749 15.597 -3.357 317 2HA GLY 41 3HA GLY 41 0.947 14.043 -2.549 318 H GLY 42 HN GLY 42 -2.293 14.221 -3.522 319 1HA GLY 42 2HA GLY 42 -3.525 13.233 -5.066 320 2HA GLY 42 3HA GLY 42 -2.358 13.868 -6.223 321 H GLU 43 HN GLU 43 -2.913 12.050 -7.430 322 HA GLU 43 HA GLU 43 -2.708 9.428 -6.476 323 1HB GLU 43 2HB GLU 43 -2.755 8.744 -8.927 324 2HB GLU 43 3HB GLU 43 -4.152 9.582 -8.256 325 1HG GLU 43 2HG GLU 43 -3.623 11.628 -9.386 326 2HG GLU 43 3HG GLU 43 -2.025 11.029 -9.885 327 H GLU 44 HN GLU 44 -0.421 11.116 -8.624 328 HA GLU 44 HA GLU 44 1.264 9.345 -9.561 329 1HB GLU 44 2HB GLU 44 2.071 11.891 -8.083 330 2HB GLU 44 3HB GLU 44 3.156 10.960 -9.128 331 1HG GLU 44 2HG GLU 44 1.566 11.270 -11.030 332 2HG GLU 44 3HG GLU 44 0.548 12.293 -10.002 333 H VAL 45 HN VAL 45 2.018 10.551 -6.289 334 HA VAL 45 HA VAL 45 4.118 8.755 -5.822 335 HB VAL 45 HB VAL 45 4.042 9.470 -3.530 336 1HG1 VAL 45 1HG1 VAL 45 4.836 11.065 -5.282 337 2HG1 VAL 45 2HG1 VAL 45 3.228 11.826 -5.287 338 3HG1 VAL 45 3HG1 VAL 45 4.214 11.857 -3.824 339 1HG2 VAL 45 1HG2 VAL 45 1.233 10.495 -4.130 340 2HG2 VAL 45 2HG2 VAL 45 1.732 9.320 -2.883 341 3HG2 VAL 45 3HG2 VAL 45 2.223 11.014 -2.759 342 H LEU 46 HN LEU 46 0.643 8.327 -5.259 343 HA LEU 46 HA LEU 46 0.939 5.854 -3.687 344 1HB LEU 46 2HB LEU 46 -1.493 6.934 -5.193 345 2HB LEU 46 3HB LEU 46 -1.482 5.685 -3.968 346 HG LEU 46 HG LEU 46 -0.533 8.515 -3.313 347 1HD1 LEU 46 2HD1 LEU 46 -3.366 7.449 -3.281 348 2HD1 LEU 46 3HD1 LEU 46 -2.814 8.872 -2.371 349 3HD1 LEU 46 1HD1 LEU 46 -2.694 8.875 -4.132 350 1HD2 LEU 46 2HG2 LEU 46 -0.002 6.645 -1.798 351 2HD2 LEU 46 3HG2 LEU 46 -1.072 7.847 -1.044 352 3HD2 LEU 46 1HG2 LEU 46 -1.732 6.291 -1.608 353 H ARG 47 HN ARG 47 -0.065 6.803 -6.925 354 HA ARG 47 HA ARG 47 -0.638 4.333 -7.927 355 1HB ARG 47 2HB ARG 47 -1.018 6.663 -8.953 356 2HB ARG 47 3HB ARG 47 0.642 6.575 -9.557 357 1HG ARG 47 2HG ARG 47 -0.082 4.335 -10.667 358 2HG ARG 47 3HG ARG 47 -1.736 4.804 -10.224 359 1HD ARG 47 2HG ARG 47 -1.440 6.936 -11.510 360 2HD ARG 47 3HG ARG 47 0.203 6.402 -11.930 361 HE ARG 47 HNE ARG 47 -2.173 4.682 -12.641 362 1HH1 ARG 47 2HN2 ARG 47 0.331 6.853 -13.893 363 2HH1 ARG 47 2HN1 ARG 47 0.236 6.216 -15.507 364 1HH2 ARG 47 2HN1 ARG 47 -2.343 3.916 -14.569 365 2HH2 ARG 47 1HN1 ARG 47 -1.407 4.466 -15.963 366 H GLU 48 HN GLU 48 2.518 6.070 -8.134 367 HA GLU 48 HA GLU 48 3.816 4.003 -9.608 368 1HB GLU 48 2HB GLU 48 5.802 5.269 -9.330 369 2HB GLU 48 3HB GLU 48 4.479 6.440 -9.499 370 1HG GLU 48 2HG GLU 48 4.461 6.712 -7.011 371 2HG GLU 48 3HG GLU 48 5.838 5.611 -6.889 372 H GLN 49 HN GLN 49 2.943 3.957 -6.282 373 HA GLN 49 HA GLN 49 4.990 1.837 -5.861 374 1HB GLN 49 2HB GLN 49 4.820 4.132 -4.353 375 2HB GLN 49 3HB GLN 49 3.642 3.133 -3.510 376 1HG GLN 49 2HG GLN 49 5.743 2.807 -2.464 377 2HG GLN 49 3HG GLN 49 5.442 1.318 -3.389 378 1HE2 GLN 49 2HNE GLN 49 8.626 1.684 -4.902 379 2HE2 GLN 49 1HNE GLN 49 7.459 0.601 -4.171 380 H ALA 50 HN ALA 50 1.929 2.187 -6.843 381 HA ALA 50 HA ALA 50 0.554 0.548 -4.901 382 1HB ALA 50 3HB ALA 50 -0.464 2.399 -6.197 383 2HB ALA 50 1HB ALA 50 -0.271 1.435 -7.673 384 3HB ALA 50 2HB ALA 50 -1.327 0.847 -6.349 385 H GLY 51 HN GLY 51 -0.380 -1.502 -5.347 386 1HA GLY 51 2HA GLY 51 0.114 -3.678 -5.469 387 2HA GLY 51 3HA GLY 51 0.456 -3.483 -7.197 388 H GLY 52 HN GLY 52 2.108 -2.090 -4.301 389 1HA GLY 52 2HA GLY 52 4.603 -3.565 -4.948 390 2HA GLY 52 3HA GLY 52 4.572 -1.792 -4.964 391 H ASP 53 HN ASP 53 6.322 -2.910 -3.347 392 HA ASP 53 HA ASP 53 5.380 -3.440 -0.648 393 1HB ASP 53 2HB ASP 53 7.868 -3.730 -0.311 394 2HB ASP 53 3HB ASP 53 7.230 -4.768 -1.597 395 H ALA 54 HN ALA 54 4.316 -1.237 -1.127 396 HA ALA 54 HA ALA 54 5.918 1.077 -1.045 397 1HB ALA 54 1HB ALA 54 3.002 0.652 -0.342 398 2HB ALA 54 2HB ALA 54 3.771 2.248 -0.579 399 3HB ALA 54 3HB ALA 54 3.653 1.085 -1.921 400 H THR 55 HN THR 55 4.977 -0.945 1.584 401 HA THR 55 HA THR 55 5.044 0.064 4.000 402 HB THR 55 HB THR 55 7.182 -1.744 2.858 403 HG1 THR 55 HOG THR 55 4.959 -2.412 2.820 404 1HG2 THR 55 3HG THR 55 6.540 -1.052 5.760 405 2HG2 THR 55 1HG THR 55 7.418 -2.513 5.246 406 3HG2 THR 55 2HG THR 55 8.105 -0.915 4.943 407 H GLU 56 HN GLU 56 7.969 0.250 2.040 408 HA GLU 56 HA GLU 56 9.406 1.819 3.976 409 1HB GLU 56 2HB GLU 56 10.147 1.206 1.117 410 2HB GLU 56 3HB GLU 56 11.247 1.461 2.488 411 1HG GLU 56 2HG GLU 56 10.133 -0.616 3.538 412 2HG GLU 56 3HG GLU 56 9.389 -0.926 1.952 413 H ASN 57 HN ASN 57 8.531 2.487 0.527 414 HA ASN 57 HA ASN 57 9.283 5.225 0.700 415 1HB ASN 57 2HB ASN 57 9.119 3.830 -1.418 416 2HB ASN 57 3HB ASN 57 7.367 4.098 -1.345 417 1HD2 ASN 57 2HND ASN 57 8.184 6.897 -3.459 418 2HD2 ASN 57 1HND ASN 57 7.618 5.242 -3.487 419 H PHE 58 HN PHE 58 6.489 3.657 1.839 420 HA PHE 58 HA PHE 58 4.847 6.062 2.184 421 1HB PHE 58 2HB PHE 58 3.649 4.056 2.158 422 2HB PHE 58 3HB PHE 58 4.845 3.220 3.131 423 HD1 PHE 58 2HG PHE 58 2.292 5.974 3.501 424 HD2 PHE 58 1HD PHE 58 4.461 2.710 5.326 425 HE1 PHE 58 2HE PHE 58 0.761 6.027 5.454 426 HE2 PHE 58 1HE PHE 58 2.877 2.706 7.208 427 HZ PHE 58 HZ PHE 58 0.940 4.248 7.197 428 H GLU 59 HN GLU 59 6.701 3.947 4.602 429 HA GLU 59 HA GLU 59 6.055 6.213 6.372 430 1HB GLU 59 2HB GLU 59 6.584 4.981 8.228 431 2HB GLU 59 3HB GLU 59 5.548 4.077 7.131 432 1HG GLU 59 2HG GLU 59 7.562 2.714 6.456 433 2HG GLU 59 3HG GLU 59 8.454 3.520 7.748 434 H ASP 60 HN ASP 60 8.877 5.240 4.625 435 HA ASP 60 HA ASP 60 10.713 6.914 6.143 436 1HB ASP 60 2HB ASP 60 11.325 4.890 4.788 437 2HB ASP 60 3HB ASP 60 10.964 5.824 3.322 438 H VAL 61 HN VAL 61 8.029 7.860 4.212 439 HA VAL 61 HA VAL 61 9.527 9.728 2.552 440 HB VAL 61 HB VAL 61 7.199 8.369 2.325 441 1HG1 VAL 61 1HG1 VAL 61 5.996 9.958 3.814 442 2HG1 VAL 61 3HG1 VAL 61 6.178 11.210 2.567 443 3HG1 VAL 61 2HG1 VAL 61 5.297 9.727 2.203 444 1HG2 VAL 61 2HG2 VAL 61 7.944 10.791 1.134 445 2HG2 VAL 61 1HG2 VAL 61 6.913 9.185 0.527 446 3HG2 VAL 61 3HG2 VAL 61 7.280 10.342 0.066 447 H GLY 62 HN GLY 62 9.230 9.816 5.702 448 1HA GLY 62 2HA GLY 62 9.221 11.468 7.298 449 2HA GLY 62 3HA GLY 62 9.146 12.696 6.021 450 H HIS 63 HN HES 63 6.831 9.985 6.406 451 HA HIS 63 HA HES 63 4.589 11.740 6.375 452 1HB HIS 63 2HB HES 63 4.977 8.819 6.849 453 2HB HIS 63 3HB HES 63 3.504 9.530 7.468 454 HD1 HIS 63 HND HES 63 4.514 7.802 4.580 455 HD2 HIS 63 HD HES 63 2.316 11.327 5.255 456 HE1 HIS 63 HE HES 63 3.069 8.097 2.591 457 H SER 64 HN SER 64 3.436 12.673 8.129 458 HA SER 64 HA SER 64 4.495 12.557 10.815 459 1HB SER 64 2HB SER 64 1.717 13.439 9.930 460 2HB SER 64 3HB SER 64 2.603 13.932 11.382 461 HG SER 64 HOG SER 64 2.760 15.477 9.616 462 H THR 65 HN THR 65 3.612 11.338 12.611 463 HA THR 65 HA THR 65 2.918 8.759 12.270 464 HB THR 65 HB THR 65 1.893 10.526 14.531 465 HG1 THR 65 HOG THR 65 4.524 9.576 14.029 466 1HG2 THR 65 3HG THR 65 3.041 7.693 14.467 467 2HG2 THR 65 1HG THR 65 2.535 8.580 15.922 468 3HG2 THR 65 2HG THR 65 1.330 8.115 14.705 469 H ASP 66 HN ASP 66 0.669 11.515 12.368 470 HA ASP 66 HA ASP 66 -1.831 10.428 12.518 471 1HB ASP 66 2HB ASP 66 -1.037 12.526 10.434 472 2HB ASP 66 3HB ASP 66 -2.534 12.420 11.361 473 H ALA 67 HN ALA 67 0.217 10.681 9.613 474 HA ALA 67 HA ALA 67 -1.684 9.608 7.732 475 1HB ALA 67 2HB ALA 67 0.194 11.107 7.097 476 2HB ALA 67 3HB ALA 67 1.342 9.861 7.607 477 3HB ALA 67 1HB ALA 67 0.271 9.557 6.225 478 H ARG 68 HN ARG 68 0.605 8.203 9.984 479 HA ARG 68 HA ARG 68 0.393 5.515 8.814 480 1HB ARG 68 2HB ARG 68 2.372 6.705 10.245 481 2HB ARG 68 3HB ARG 68 1.423 6.076 11.595 482 1HG ARG 68 2HG ARG 68 1.589 3.778 10.328 483 2HG ARG 68 3HG ARG 68 2.858 4.590 9.383 484 1HD ARG 68 2HG ARG 68 3.839 5.281 11.712 485 2HD ARG 68 3HG ARG 68 2.721 4.068 12.370 486 HE ARG 68 HNE ARG 68 4.680 3.261 10.221 487 1HH1 ARG 68 2HN2 ARG 68 4.028 3.316 13.709 488 2HH1 ARG 68 2HN1 ARG 68 5.279 2.172 14.080 489 1HH2 ARG 68 2HN1 ARG 68 6.224 1.883 10.653 490 2HH2 ARG 68 1HN1 ARG 68 6.619 1.300 12.271 491 H GLU 69 HN GLU 69 -0.987 7.351 11.583 492 HA GLU 69 HA GLU 69 -1.991 5.003 12.718 493 1HB GLU 69 2HB GLU 69 -1.765 7.447 13.748 494 2HB GLU 69 3HB GLU 69 -3.476 7.548 13.315 495 1HG GLU 69 2HG GLU 69 -3.009 4.962 14.588 496 2HG GLU 69 3HG GLU 69 -2.222 6.215 15.554 497 H LEU 70 HN LEU 70 -3.655 7.367 10.561 498 HA LEU 70 HA LEU 70 -6.121 5.924 10.554 499 1HB LEU 70 2HB LEU 70 -6.888 7.357 9.056 500 2HB LEU 70 3HB LEU 70 -5.494 8.272 9.594 501 HG LEU 70 HG LEU 70 -5.465 8.632 7.373 502 1HD1 LEU 70 2HD1 LEU 70 -3.330 7.291 8.220 503 2HD1 LEU 70 3HD1 LEU 70 -3.836 6.186 6.901 504 3HD1 LEU 70 1HD1 LEU 70 -3.472 7.838 6.555 505 1HD2 LEU 70 1HG2 LEU 70 -7.322 7.211 6.712 506 2HD2 LEU 70 2HG2 LEU 70 -5.982 7.081 5.564 507 3HD2 LEU 70 3HG2 LEU 70 -6.279 5.778 6.722 508 H SER 71 HN SER 71 -3.057 5.182 9.131 509 HA SER 71 HA SER 71 -3.888 3.764 6.900 510 1HB SER 71 2HB SER 71 -1.780 3.302 6.505 511 2HB SER 71 3HB SER 71 -1.534 4.564 7.660 512 HG SER 71 HOG SER 71 -1.126 3.047 9.245 513 H LYS 72 HN LYS 72 -3.531 2.724 10.252 514 HA LYS 72 HA LYS 72 -4.347 -0.030 9.636 515 1HB LYS 72 2HB LYS 72 -4.086 -0.455 12.087 516 2HB LYS 72 3HB LYS 72 -2.678 0.043 11.173 517 1HG LYS 72 2HG LYS 72 -2.293 1.154 13.032 518 2HG LYS 72 3HG LYS 72 -3.066 2.431 12.151 519 1HD LYS 72 2HG LYS 72 -4.299 0.650 14.335 520 2HD LYS 72 3HG LYS 72 -3.662 2.277 14.539 521 1HE LYS 72 2HE LYS 72 -5.583 2.726 12.599 522 2HE LYS 72 3HE LYS 72 -6.303 1.380 13.479 523 1HZ LYS 72 1HNZ LYS 72 -6.007 2.781 15.502 524 2HZ LYS 72 2HNZ LYS 72 -5.413 4.006 14.600 525 3HZ LYS 72 3HNZ LYS 72 -6.933 3.529 14.373 526 H THR 73 HN THR 73 -6.245 2.445 9.335 527 HA THR 73 HA THR 73 -8.487 1.395 10.937 528 HB THR 73 HB THR 73 -7.947 3.896 10.285 529 HG1 THR 73 HOG THR 73 -10.182 4.263 10.564 530 1HG2 THR 73 2HG THR 73 -8.167 3.484 7.775 531 2HG2 THR 73 3HG THR 73 -9.888 3.146 8.057 532 3HG2 THR 73 1HG THR 73 -9.221 4.745 8.428 533 H TYR 74 HN TYR 74 -7.205 1.254 7.614 534 HA TYR 74 HA TYR 74 -9.705 0.243 6.533 535 1HB TYR 74 2HB TYR 74 -6.957 0.450 5.245 536 2HB TYR 74 3HB TYR 74 -8.482 0.138 4.416 537 HD1 TYR 74 1HD TYR 74 -10.361 2.114 5.351 538 HD2 TYR 74 2HG TYR 74 -6.123 2.508 4.620 539 HE1 TYR 74 1HE TYR 74 -10.651 4.532 4.915 540 HE2 TYR 74 2HE TYR 74 -6.441 4.897 4.093 541 HH TYR 74 HOH TYR 74 -7.958 6.645 3.900 542 H ILE 75 HN ILE 75 -6.565 -1.288 5.951 543 HA ILE 75 HA ILE 75 -5.902 -3.382 5.751 544 HB ILE 75 HB ILE 75 -7.463 -3.620 8.339 545 1HG1 ILE 75 2HG1 ILE 75 -4.479 -3.267 7.953 546 2HG1 ILE 75 3HG1 ILE 75 -5.570 -1.884 8.159 547 1HG2 ILE 75 3HG2 ILE 75 -5.305 -5.446 7.156 548 2HG2 ILE 75 1HG2 ILE 75 -5.902 -5.571 8.821 549 3HG2 ILE 75 2HG2 ILE 75 -6.983 -5.907 7.488 550 1HD1 ILE 75 2HG ILE 75 -6.282 -2.774 10.358 551 2HD1 ILE 75 3HG ILE 75 -5.086 -4.083 10.205 552 3HD1 ILE 75 1HD ILE 75 -4.549 -2.404 10.270 553 H ILE 76 HN ILE 76 -6.637 -4.183 3.909 554 HA ILE 76 HA ILE 76 -9.088 -5.896 4.059 555 HB ILE 76 HB ILE 76 -8.864 -6.240 1.709 556 1HG1 ILE 76 2HG1 ILE 76 -6.685 -4.121 1.601 557 2HG1 ILE 76 3HG1 ILE 76 -6.330 -5.858 1.628 558 1HG2 ILE 76 3HG2 ILE 76 -10.209 -4.355 2.646 559 2HG2 ILE 76 1HG2 ILE 76 -8.829 -3.266 2.410 560 3HG2 ILE 76 2HG2 ILE 76 -9.627 -4.013 1.015 561 1HD1 ILE 76 1HD ILE 76 -7.638 -6.227 -0.394 562 2HD1 ILE 76 2HG ILE 76 -8.030 -4.496 -0.485 563 3HD1 ILE 76 3HG ILE 76 -6.354 -5.030 -0.648 564 H GLY 77 HN GLY 77 -5.559 -6.023 4.334 565 1HA GLY 77 2HA GLY 77 -5.773 -8.773 5.116 566 2HA GLY 77 3HA GLY 77 -5.106 -8.619 3.473 567 H GLU 78 HN GLU 78 -3.416 -9.813 4.923 568 HA GLU 78 HA GLU 78 -1.303 -7.871 5.793 569 1HB GLU 78 2HB GLU 78 -1.920 -10.687 6.665 570 2HB GLU 78 3HB GLU 78 -0.241 -10.132 6.647 571 1HG GLU 78 2HG GLU 78 -0.728 -8.217 8.036 572 2HG GLU 78 3HG GLU 78 -2.459 -8.573 8.030 573 H LEU 79 HN LEU 79 -0.858 -11.156 4.551 574 HA LEU 79 HA LEU 79 -0.607 -10.876 1.935 575 1HB LEU 79 2HB LEU 79 1.600 -9.378 3.039 576 2HB LEU 79 3HB LEU 79 2.264 -10.918 2.595 577 HG LEU 79 HG LEU 79 1.555 -10.717 0.307 578 1HD1 LEU 79 3HD1 LEU 79 -0.457 -8.862 1.282 579 2HD1 LEU 79 1HD1 LEU 79 0.564 -8.007 0.136 580 3HD1 LEU 79 2HD1 LEU 79 -0.237 -9.488 -0.356 581 1HD2 LEU 79 3HG2 LEU 79 3.586 -9.596 1.152 582 2HD2 LEU 79 1HG2 LEU 79 2.895 -8.753 -0.262 583 3HD2 LEU 79 2HG2 LEU 79 2.637 -8.117 1.392 584 H HIS 80 HN HIS 80 0.528 -12.668 0.915 585 HA HIS 80 HA HIS 80 0.298 -15.124 2.250 586 1HB HIS 80 2HB HIS 80 0.332 -14.800 -0.202 587 2HB HIS 80 3HB HIS 80 2.050 -14.392 -0.132 588 HD1 HIS 80 HND HIS 80 3.732 -16.521 0.509 589 HD2 HIS 80 HD HIS 80 -0.368 -17.367 0.022 590 HE1 HIS 80 HE HIS 80 3.507 -19.049 0.486 591 HA PRO 81 HA PRO 81 4.210 -15.095 4.538 592 1HB PRO 81 2HB PRO 81 4.274 -17.636 5.484 593 2HB PRO 81 3HB PRO 81 3.075 -16.435 6.034 594 1HG PRO 81 2HG PRO 81 2.691 -18.536 3.881 595 2HG PRO 81 3HG PRO 81 1.650 -18.236 5.306 596 1HD PRO 81 2HG PRO 81 1.081 -17.169 2.886 597 2HD PRO 81 3HG PRO 81 0.817 -16.216 4.374 598 H ASP 82 HN ASP 82 4.812 -14.816 2.110 599 HA ASP 82 HA ASP 82 7.289 -16.290 1.877 600 1HB ASP 82 2HB ASP 82 5.920 -17.677 0.334 601 2HB ASP 82 3HB ASP 82 5.450 -16.223 -0.579 602 H ASP 83 HN ASP 83 5.037 -14.154 0.130 603 HA ASP 83 HA ASP 83 6.765 -12.193 -0.743 604 1HB ASP 83 2HB ASP 83 3.866 -11.992 0.133 605 2HB ASP 83 3HB ASP 83 4.758 -10.683 -0.668 606 H ARG 84 HN ARG 84 5.476 -12.675 2.435 607 HA ARG 84 HA ARG 84 6.273 -10.545 3.961 608 1HB ARG 84 2HB ARG 84 5.238 -12.782 4.589 609 2HB ARG 84 3HB ARG 84 6.875 -13.459 4.603 610 1HG ARG 84 2HG ARG 84 7.486 -11.912 6.454 611 2HG ARG 84 3HG ARG 84 5.888 -11.146 6.339 612 1HD ARG 84 2HG ARG 84 4.823 -13.370 6.787 613 2HD ARG 84 3HG ARG 84 6.406 -14.092 7.025 614 HE ARG 84 HNE ARG 84 4.877 -12.258 8.767 615 1HH1 ARG 84 2HN2 ARG 84 8.069 -13.636 8.233 616 2HH1 ARG 84 2HN1 ARG 84 8.488 -13.763 9.915 617 1HH2 ARG 84 2HN1 ARG 84 5.383 -12.386 11.011 618 2HH2 ARG 84 1HN1 ARG 84 6.928 -12.969 11.533 619 H SER 85 HN SER 85 8.605 -12.538 2.191 620 HA SER 85 HA SER 85 10.736 -11.031 3.643 621 1HB SER 85 2HB SER 85 10.830 -13.530 3.811 622 2HB SER 85 3HB SER 85 11.042 -13.600 2.048 623 HG SER 85 HOG SER 85 12.870 -12.098 2.472 624 H LYS 86 HN LYS 86 9.006 -10.578 0.925 625 HA LYS 86 HA LYS 86 11.225 -9.836 -0.882 626 1HB LYS 86 2HB LYS 86 8.243 -9.318 -1.097 627 2HB LYS 86 3HB LYS 86 9.435 -9.112 -2.368 628 1HG LYS 86 2HG LYS 86 8.822 -11.810 -1.079 629 2HG LYS 86 3HG LYS 86 7.895 -11.136 -2.431 630 1HD LYS 86 2HG LYS 86 10.088 -11.048 -3.729 631 2HD LYS 86 3HG LYS 86 10.804 -11.990 -2.392 632 1HE LYS 86 2HE LYS 86 8.890 -13.679 -2.683 633 2HE LYS 86 3HE LYS 86 8.355 -12.757 -4.092 634 1HZ LYS 86 3HNZ LYS 86 10.492 -13.249 -5.113 635 2HZ LYS 86 1HNZ LYS 86 10.920 -14.160 -3.798 636 3HZ LYS 86 2HNZ LYS 86 9.643 -14.610 -4.727 637 H ILE 87 HN ILE 87 8.638 -8.391 1.138 638 HA ILE 87 HA ILE 87 9.339 -5.638 0.699 639 HB ILE 87 HB ILE 87 7.907 -6.924 3.063 640 1HG1 ILE 87 2HG1 ILE 87 5.872 -5.825 1.991 641 2HG1 ILE 87 3HG1 ILE 87 6.797 -5.714 0.494 642 1HG2 ILE 87 1HG2 ILE 87 8.810 -4.679 3.608 643 2HG2 ILE 87 2HG2 ILE 87 8.031 -4.020 2.157 644 3HG2 ILE 87 3HG2 ILE 87 7.055 -4.651 3.501 645 1HD1 ILE 87 1HD ILE 87 6.334 -8.322 1.995 646 2HD1 ILE 87 2HG ILE 87 5.211 -7.707 0.782 647 3HD1 ILE 87 3HG ILE 87 6.845 -8.107 0.290 648 H ALA 88 HN ALA 88 11.417 -5.098 1.073 649 HA ALA 88 HA ALA 88 12.689 -4.991 3.596 650 1HB ALA 88 2HB ALA 88 13.430 -7.341 1.798 651 2HB ALA 88 3HB ALA 88 14.474 -6.742 3.111 652 3HB ALA 88 1HB ALA 88 12.895 -7.443 3.490 653 HHA HEM 63 HGM HES 63 3.056 14.768 2.725 654 HHB HEM 63 HDM HES 63 -2.140 11.932 5.200 655 HHC HEM 63 HAM HES 63 -0.853 6.569 1.892 656 HHD HEM 63 HBM HES 63 4.204 9.500 -0.876 657 1HMA HEM 63 1HM8 HES 63 -2.153 14.047 5.835 658 2HMA HEM 63 2HM8 HES 63 -0.706 14.178 6.858 659 3HMA HEM 63 3HM8 HES 63 -1.207 15.524 5.819 660 1HAA HEM 63 1HP7 HES 63 1.763 16.344 3.657 661 2HAA HEM 63 2HP7 HES 63 0.426 16.517 4.756 662 1HBA HEM 63 3HP7 HES 63 3.206 15.509 5.455 663 2HBA HEM 63 4HP7 HES 63 1.837 15.476 6.578 664 1HMB HEM 63 1HM1 HES 63 -4.517 8.995 4.866 665 2HMB HEM 63 2HM1 HES 63 -3.557 9.953 6.029 666 3HMB HEM 63 3HM1 HES 63 -4.218 10.709 4.584 667 HAB HEM 63 HT2A HES 63 -4.130 7.232 3.152 668 1HBB HEM 63 HV2C HES 63 -1.729 5.719 4.303 669 2HBB HEM 63 HV2T HES 63 -3.501 5.137 4.183 670 1HMC HEM 63 1HM3 HES 63 1.453 5.033 -0.780 671 2HMC HEM 63 2HM3 HES 63 1.551 4.832 0.983 672 3HMC HEM 63 3HM3 HES 63 -0.001 5.230 0.208 673 HAC HEM 63 HT4A HES 63 3.440 7.385 -2.283 674 1HBC HEM 63 HV4C HES 63 4.172 5.455 -0.024 675 2HBC HEM 63 HV4T HES 63 4.958 5.607 -1.712 676 1HMD HEM 63 1HM5 HES 63 5.266 12.708 -1.878 677 2HMD HEM 63 2HM5 HES 63 6.524 12.300 -0.694 678 3HMD HEM 63 3HM5 HES 63 5.613 11.022 -1.503 679 1HAD HEM 63 1HP6 HES 63 4.508 15.310 1.273 680 2HAD HEM 63 2HP6 HES 63 5.975 14.369 1.489 681 1HBD HEM 63 3HP6 HES 63 6.423 14.498 -0.887 682 2HBD HEM 63 4HP6 HES 63 4.760 15.042 -1.223 No H/Q in entry = 682
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