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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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8388 |
1m60 ![]() ![]() |
5026 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H GLY 1 H1 GLY 1 -9.726 12.491 5.021 2 2H GLY 1 H2 GLY 1 -10.999 11.615 5.659 3 3H GLY 1 H3 GLY 1 -10.715 13.192 6.115 4 1HA GLY 1 HA2 GLY 1 -9.753 11.896 7.835 5 2HA GLY 1 HA1 GLY 1 -8.877 10.970 6.589 6 H ASP 2 HN ASP 2 -7.198 11.882 8.177 7 HA ASP 2 HA ASP 2 -6.200 14.645 7.619 8 1HB ASP 2 HB2 ASP 2 -6.512 13.049 10.208 9 2HB ASP 2 HB3 ASP 2 -5.920 14.686 10.114 10 H VAL 3 HN VAL 3 -3.886 14.798 7.538 11 HA VAL 3 HA VAL 3 -2.402 12.434 7.095 12 HB VAL 3 HB VAL 3 -1.680 15.306 7.680 13 1HG1 VAL 3 HG11 VAL 3 0.242 14.045 8.347 14 2HG1 VAL 3 HG12 VAL 3 0.254 13.258 6.743 15 3HG1 VAL 3 HG13 VAL 3 0.525 15.002 6.886 16 1HG2 VAL 3 HG21 VAL 3 -1.363 13.752 5.098 17 2HG2 VAL 3 HG22 VAL 3 -2.844 14.666 5.442 18 3HG2 VAL 3 HG23 VAL 3 -1.279 15.500 5.295 19 H GLU 4 HN GLU 4 -2.838 14.471 10.021 20 HA GLU 4 HA GLU 4 -0.681 13.332 11.470 21 1HB GLU 4 HB2 GLU 4 -3.191 14.775 12.382 22 2HB GLU 4 HB3 GLU 4 -1.824 14.350 13.418 23 1HG GLU 4 HG2 GLU 4 -0.293 15.649 11.945 24 2HG GLU 4 HG3 GLU 4 -1.674 16.139 10.951 25 H LYS 5 HN LYS 5 -4.193 12.605 11.358 26 HA LYS 5 HA LYS 5 -4.089 10.379 13.117 27 1HB LYS 5 HB2 LYS 5 -6.032 11.098 10.907 28 2HB LYS 5 HB3 LYS 5 -6.282 9.834 12.125 29 1HG LYS 5 HG2 LYS 5 -5.917 11.459 13.917 30 2HG LYS 5 HG3 LYS 5 -5.726 12.786 12.804 31 1HD LYS 5 HD2 LYS 5 -7.935 12.468 14.126 32 2HD LYS 5 HD3 LYS 5 -7.922 13.147 12.511 33 1HE LYS 5 HE2 LYS 5 -8.412 10.171 12.920 34 2HE LYS 5 HE3 LYS 5 -9.708 11.358 13.121 35 1HZ LYS 5 HZ1 LYS 5 -8.104 11.181 10.656 36 2HZ LYS 5 HZ2 LYS 5 -9.449 10.409 10.809 37 3HZ LYS 5 HZ3 LYS 5 -9.365 12.118 10.854 38 H GLY 6 HN GLY 6 -3.857 10.689 9.505 39 1HA GLY 6 HA1 GLY 6 -3.469 8.076 8.780 40 2HA GLY 6 HA2 GLY 6 -2.734 9.493 8.038 41 H LYS 7 HN LYS 7 -0.887 10.322 10.078 42 HA LYS 7 HA LYS 7 1.310 8.606 9.935 43 1HB LYS 7 HB2 LYS 7 0.484 10.876 11.619 44 2HB LYS 7 HB3 LYS 7 1.655 9.808 12.379 45 1HG LYS 7 HG2 LYS 7 1.978 10.923 9.562 46 2HG LYS 7 HG3 LYS 7 2.462 11.746 11.019 47 1HD LYS 7 HD2 LYS 7 3.777 9.536 11.605 48 2HD LYS 7 HD3 LYS 7 3.587 9.170 9.882 49 1HE LYS 7 HE2 LYS 7 4.698 11.408 9.381 50 2HE LYS 7 HE3 LYS 7 4.963 11.618 11.118 51 1HZ LYS 7 HZ1 LYS 7 6.059 9.504 9.378 52 2HZ LYS 7 HZ2 LYS 7 6.917 10.660 9.978 53 3HZ LYS 7 HZ3 LYS 7 6.301 9.533 11.020 54 H LYS 8 HN LYS 8 -1.012 8.946 12.651 55 HA LYS 8 HA LYS 8 0.027 6.858 14.273 56 1HB LYS 8 HB2 LYS 8 -2.852 7.871 14.155 57 2HB LYS 8 HB3 LYS 8 -2.081 7.016 15.495 58 1HG LYS 8 HG2 LYS 8 -1.530 9.830 14.491 59 2HG LYS 8 HG3 LYS 8 -2.299 9.355 15.996 60 1HD LYS 8 HD2 LYS 8 -0.152 8.349 16.770 61 2HD LYS 8 HD3 LYS 8 0.622 8.872 15.252 62 1HE LYS 8 HE2 LYS 8 0.042 11.241 15.754 63 2HE LYS 8 HE3 LYS 8 -0.711 10.741 17.277 64 1HZ LYS 8 HZ1 LYS 8 1.440 9.972 18.017 65 2HZ LYS 8 HZ2 LYS 8 2.140 10.435 16.598 66 3HZ LYS 8 HZ3 LYS 8 1.497 11.561 17.605 67 H ILE 9 HN ILE 9 -2.779 6.846 12.048 68 HA ILE 9 HA ILE 9 -3.451 4.115 12.410 69 HB ILE 9 HB ILE 9 -3.995 5.965 10.078 70 1HG1 ILE 9 HG12 ILE 9 -4.898 6.847 12.237 71 2HG1 ILE 9 HG13 ILE 9 -6.137 6.379 11.093 72 1HG2 ILE 9 HG21 ILE 9 -4.358 3.681 9.368 73 2HG2 ILE 9 HG22 ILE 9 -5.258 3.298 10.837 74 3HG2 ILE 9 HG23 ILE 9 -5.931 4.435 9.645 75 1HD1 ILE 9 HD11 ILE 9 -5.274 4.780 13.534 76 2HD1 ILE 9 HD12 ILE 9 -6.735 5.756 13.362 77 3HD1 ILE 9 HD13 ILE 9 -6.550 4.295 12.387 78 H PHE 10 HN PHE 10 -1.255 5.692 10.010 79 HA PHE 10 HA PHE 10 -0.582 3.321 8.577 80 1HB PHE 10 HB2 PHE 10 0.006 5.613 7.820 81 2HB PHE 10 HB3 PHE 10 1.153 5.760 9.141 82 HD1 PHE 10 HD1 PHE 10 0.515 4.367 5.814 83 HD2 PHE 10 HD2 PHE 10 3.222 4.285 9.174 84 HE1 PHE 10 HE1 PHE 10 2.166 3.116 4.460 85 HE2 PHE 10 HE2 PHE 10 4.814 2.938 7.853 86 HZ PHE 10 HZ PHE 10 4.304 2.370 5.481 87 H VAL 11 HN VAL 11 0.873 4.851 11.501 88 HA VAL 11 HA VAL 11 2.878 2.886 11.704 89 HB VAL 11 HB VAL 11 2.076 5.283 13.125 90 1HG1 VAL 11 HG11 VAL 11 2.873 4.728 15.335 91 2HG1 VAL 11 HG12 VAL 11 1.382 3.869 14.913 92 3HG1 VAL 11 HG13 VAL 11 2.963 3.002 14.877 93 1HG2 VAL 11 HG21 VAL 11 4.661 3.688 13.107 94 2HG2 VAL 11 HG22 VAL 11 4.200 4.920 11.906 95 3HG2 VAL 11 HG23 VAL 11 4.467 5.385 13.598 96 H GLN 12 HN GLN 12 -0.436 3.001 12.958 97 HA GLN 12 HA GLN 12 -0.160 0.663 14.587 98 1HB GLN 12 HB2 GLN 12 -2.486 2.109 13.256 99 2HB GLN 12 HB3 GLN 12 -2.759 0.670 14.218 100 1HG GLN 12 HG2 GLN 12 -1.843 1.718 16.205 101 2HG GLN 12 HG3 GLN 12 -1.305 3.126 15.280 102 1HE2 GLN 12 HE21 GLN 12 -2.645 4.187 17.089 103 2HE2 GLN 12 HE22 GLN 12 -4.353 4.400 16.741 104 H LYS 13 HN LYS 13 -1.474 1.156 11.305 105 HA LYS 13 HA LYS 13 -2.157 -1.644 11.020 106 1HB LYS 13 HB2 LYS 13 -2.207 0.637 9.034 107 2HB LYS 13 HB3 LYS 13 -3.037 -0.911 8.837 108 1HG LYS 13 HG2 LYS 13 -3.653 1.028 11.126 109 2HG LYS 13 HG3 LYS 13 -4.374 1.145 9.527 110 1HD LYS 13 HD2 LYS 13 -5.285 -1.182 9.829 111 2HD LYS 13 HD3 LYS 13 -4.646 -1.168 11.492 112 1HE LYS 13 HE2 LYS 13 -5.980 0.891 11.996 113 2HE LYS 13 HE3 LYS 13 -6.546 0.945 10.324 114 1HZ LYS 13 HZ1 LYS 13 -8.212 0.098 11.523 115 2HZ LYS 13 HZ2 LYS 13 -7.631 -1.198 10.733 116 3HZ LYS 13 HZ3 LYS 13 -7.310 -1.020 12.354 117 H CYS 14 HN CYS 14 0.225 0.561 9.428 118 HA CYS 14 HA CYS 14 1.046 -1.671 7.687 119 1HB CYS 14 HB2 CYS 14 2.036 1.047 7.275 120 2HB CYS 14 HB3 CYS 14 1.610 -0.166 6.093 121 H ALA 15 HN ALA 15 2.426 0.490 10.148 122 HA ALA 15 HA ALA 15 5.088 0.466 9.891 123 1HB ALA 15 HB1 ALA 15 4.134 1.267 11.911 124 2HB ALA 15 HB2 ALA 15 3.707 -0.403 12.413 125 3HB ALA 15 HB3 ALA 15 5.397 0.109 12.290 126 H GLN 16 HN GLN 16 3.231 -2.313 10.991 127 HA GLN 16 HA GLN 16 5.180 -4.100 11.850 128 1HB GLN 16 HB2 GLN 16 2.526 -4.603 10.434 129 2HB GLN 16 HB3 GLN 16 3.462 -5.846 11.279 130 1HG GLN 16 HG2 GLN 16 3.269 -4.631 13.397 131 2HG GLN 16 HG3 GLN 16 2.397 -3.304 12.622 132 1HE2 GLN 16 HE21 GLN 16 0.160 -3.565 12.064 133 2HE2 GLN 16 HE22 GLN 16 -0.721 -4.985 12.594 134 H CYS 17 HN CYS 17 4.396 -3.162 8.595 135 HA CYS 17 HA CYS 17 6.183 -5.258 7.430 136 1HB CYS 17 HB2 CYS 17 3.568 -4.138 6.437 137 2HB CYS 17 HB3 CYS 17 4.605 -5.239 5.526 138 H HIS 18 HN HIS 18 4.982 -1.882 7.139 139 HA HIS 18 HA HIS 18 7.078 -1.331 5.063 140 1HB HIS 18 HB2 HIS 18 4.344 -0.061 5.502 141 2HB HIS 18 HB3 HIS 18 5.545 0.496 4.336 142 HD1 HIS 18 HD1 HIS 18 5.600 -0.657 2.020 143 HD2 HIS 18 HD2 HIS 18 2.822 -2.066 4.819 144 HE1 HIS 18 HE1 HIS 18 3.785 -1.906 0.698 145 H THR 19 HN THR 19 7.856 0.877 5.088 146 HA THR 19 HA THR 19 7.097 2.712 7.178 147 HB THR 19 HB THR 19 8.463 1.633 8.645 148 HG1 THR 19 HG1 THR 19 10.067 3.135 9.004 149 1HG2 THR 19 HG21 THR 19 10.446 1.341 6.396 150 2HG2 THR 19 HG22 THR 19 10.881 1.092 8.113 151 3HG2 THR 19 HG23 THR 19 9.659 0.070 7.345 152 H VAL 20 HN VAL 20 6.367 3.571 5.155 153 HA VAL 20 HA VAL 20 8.245 4.324 3.057 154 HB VAL 20 HB VAL 20 6.012 3.544 2.646 155 1HG1 VAL 20 HG11 VAL 20 4.033 4.751 2.924 156 2HG1 VAL 20 HG12 VAL 20 4.824 4.864 4.506 157 3HG1 VAL 20 HG13 VAL 20 4.849 6.238 3.396 158 1HG2 VAL 20 HG21 VAL 20 6.478 6.334 1.545 159 2HG2 VAL 20 HG22 VAL 20 7.383 4.899 1.046 160 3HG2 VAL 20 HG23 VAL 20 5.632 4.960 0.804 161 H GLU 21 HN GLU 21 9.539 5.446 4.971 162 HA GLU 21 HA GLU 21 9.046 8.312 4.531 163 1HB GLU 21 HB2 GLU 21 7.852 7.584 6.644 164 2HB GLU 21 HB3 GLU 21 9.439 7.362 7.389 165 1HG GLU 21 HG2 GLU 21 9.932 9.708 7.204 166 2HG GLU 21 HG3 GLU 21 8.665 9.970 5.987 167 H LYS 22 HN LYS 22 10.699 8.146 3.181 168 HA LYS 22 HA LYS 22 12.752 8.874 2.601 169 1HB LYS 22 HB2 LYS 22 13.419 9.003 5.563 170 2HB LYS 22 HB3 LYS 22 14.229 9.849 4.247 171 1HG LYS 22 HG2 LYS 22 12.269 11.215 3.799 172 2HG LYS 22 HG3 LYS 22 11.282 10.281 4.933 173 1HD LYS 22 HD2 LYS 22 12.802 10.923 6.792 174 2HD LYS 22 HD3 LYS 22 13.663 12.007 5.675 175 1HE LYS 22 HE2 LYS 22 11.554 13.264 5.264 176 2HE LYS 22 HE3 LYS 22 10.653 12.128 6.283 177 1HZ LYS 22 HZ1 LYS 22 11.171 14.122 7.456 178 2HZ LYS 22 HZ2 LYS 22 11.928 12.846 8.159 179 3HZ LYS 22 HZ3 LYS 22 12.788 13.911 7.236 180 H GLY 23 HN GLY 23 12.376 6.210 2.298 181 1HA GLY 23 HA1 GLY 23 13.684 4.421 1.669 182 2HA GLY 23 HA2 GLY 23 15.130 5.277 2.232 183 H GLY 24 HN GLY 24 12.107 4.343 3.902 184 1HA GLY 24 HA1 GLY 24 13.551 3.338 6.234 185 2HA GLY 24 HA2 GLY 24 11.812 3.279 5.971 186 H LYS 25 HN LYS 25 12.741 1.044 7.026 187 HA LYS 25 HA LYS 25 14.196 -0.678 5.207 188 1HB LYS 25 HB2 LYS 25 12.757 -1.406 7.756 189 2HB LYS 25 HB3 LYS 25 13.952 -2.376 6.901 190 1HG LYS 25 HG3 LYS 25 15.653 -0.560 7.230 191 2HG LYS 25 HG2 LYS 25 14.488 0.317 8.241 192 1HD LYS 25 HD2 LYS 25 14.356 -1.629 9.779 193 2HD LYS 25 HD3 LYS 25 15.529 -2.502 8.767 194 1HE LYS 25 HE2 LYS 25 17.218 -0.702 9.183 195 2HE LYS 25 HE3 LYS 25 16.054 0.150 10.212 196 1HZ LYS 25 HZ1 LYS 25 17.161 -2.533 10.735 197 2HZ LYS 25 HZ2 LYS 25 17.594 -1.142 11.493 198 3HZ LYS 25 HZ3 LYS 25 16.079 -1.743 11.695 199 H HIS 26 HN HIS 26 13.354 -1.846 3.631 200 HA HIS 26 HA HIS 26 10.479 -2.144 3.227 201 1HB HIS 26 HB2 HIS 26 12.869 -3.316 1.748 202 2HB HIS 26 HB3 HIS 26 11.194 -3.331 1.200 203 HD1 HIS 26 HD1 HIS 26 11.947 0.084 2.562 204 HD2 HIS 26 HD2 HIS 26 12.843 -2.142 -0.884 205 HE1 HIS 26 HE1 HIS 26 12.771 1.731 0.834 206 H LYS 27 HN LYS 27 10.414 -3.182 5.475 207 HA LYS 27 HA LYS 27 11.723 -5.647 5.991 208 1HB LYS 27 HB2 LYS 27 10.921 -4.156 7.755 209 2HB LYS 27 HB3 LYS 27 9.252 -4.416 7.252 210 1HG LYS 27 HG2 LYS 27 9.661 -6.932 7.746 211 2HG LYS 27 HG3 LYS 27 11.158 -6.422 8.540 212 1HD LYS 27 HD2 LYS 27 9.865 -5.031 10.109 213 2HD LYS 27 HD3 LYS 27 8.396 -5.290 9.149 214 1HE LYS 27 HE2 LYS 27 8.597 -7.780 9.613 215 2HE LYS 27 HE3 LYS 27 9.884 -7.404 10.775 216 1HZ LYS 27 HZ1 LYS 27 7.115 -6.389 10.833 217 2HZ LYS 27 HZ2 LYS 27 7.688 -7.606 11.785 218 3HZ LYS 27 HZ3 LYS 27 8.256 -6.069 11.975 219 H THR 28 HN THR 28 8.164 -5.274 5.681 220 HA THR 28 HA THR 28 8.093 -7.865 4.182 221 HB THR 28 HB THR 28 5.709 -7.132 5.760 222 HG1 THR 28 HG1 THR 28 6.546 -7.821 7.676 223 1HG2 THR 28 HG21 THR 28 7.252 -9.726 5.454 224 2HG2 THR 28 HG22 THR 28 5.642 -9.528 6.180 225 3HG2 THR 28 HG23 THR 28 5.875 -9.217 4.450 226 H GLY 29 HN GLY 29 7.335 -4.483 4.089 227 1HA GLY 29 HA1 GLY 29 6.377 -4.973 1.381 228 2HA GLY 29 HA2 GLY 29 5.353 -3.970 2.426 229 HA PRO 30 HA PRO 30 9.428 -1.895 1.044 230 1HB PRO 30 HB2 PRO 30 9.191 -0.938 -1.446 231 2HB PRO 30 HB3 PRO 30 9.399 -2.680 -1.146 232 1HG PRO 30 HG2 PRO 30 6.749 -1.274 -1.622 233 2HG PRO 30 HG3 PRO 30 7.378 -2.733 -2.450 234 1HD PRO 30 HD2 PRO 30 5.696 -2.900 -0.309 235 2HD PRO 30 HD3 PRO 30 6.996 -4.080 -0.590 236 H ASN 31 HN ASN 31 9.935 0.456 0.223 237 HA ASN 31 HA ASN 31 8.081 2.370 1.505 238 1HB ASN 31 HB2 ASN 31 10.735 2.609 0.038 239 2HB ASN 31 HB3 ASN 31 9.690 4.007 0.250 240 1HD2 ASN 31 HD21 ASN 31 9.727 1.507 2.729 241 2HD2 ASN 31 HD22 ASN 31 10.385 2.586 3.956 242 H LEU 32 HN LEU 32 6.198 2.651 0.488 243 HA LEU 32 HA LEU 32 5.869 2.572 -2.396 244 1HB LEU 32 HB2 LEU 32 3.958 3.823 -0.408 245 2HB LEU 32 HB3 LEU 32 3.604 3.103 -1.959 246 HG LEU 32 HG LEU 32 4.725 1.260 0.170 247 1HD1 LEU 32 HD11 LEU 32 1.816 2.080 0.033 248 2HD1 LEU 32 HD12 LEU 32 2.536 0.818 1.047 249 3HD1 LEU 32 HD13 LEU 32 2.953 2.515 1.326 250 1HD2 LEU 32 HD21 LEU 32 3.338 -0.356 -1.022 251 2HD2 LEU 32 HD22 LEU 32 2.669 0.922 -2.046 252 3HD2 LEU 32 HD23 LEU 32 4.389 0.488 -2.175 253 H HIS 33 HN HIS 33 7.975 4.345 -1.744 254 HA HIS 33 HA HIS 33 7.365 7.014 -1.271 255 1HB HIS 33 HB2 HIS 33 9.568 5.932 -1.112 256 2HB HIS 33 HB3 HIS 33 9.667 5.810 -2.863 257 HD1 HIS 33 HD1 HIS 33 9.566 7.734 -3.540 258 HD2 HIS 33 HD2 HIS 33 10.407 7.963 0.046 259 HE1 HIS 33 HE1 HIS 33 11.011 10.467 -3.248 260 H GLY 34 HN GLY 34 5.430 7.328 -2.601 261 1HA GLY 34 HA1 GLY 34 4.950 9.212 -4.172 262 2HA GLY 34 HA2 GLY 34 6.164 8.552 -5.247 263 H LEU 35 HN LEU 35 3.038 7.745 -3.676 264 HA LEU 35 HA LEU 35 2.589 5.480 -5.467 265 1HB LEU 35 HB2 LEU 35 1.053 6.829 -3.240 266 2HB LEU 35 HB3 LEU 35 0.203 5.759 -4.352 267 HG LEU 35 HG LEU 35 2.703 4.882 -2.906 268 1HD1 LEU 35 HD11 LEU 35 -0.220 4.579 -2.107 269 2HD1 LEU 35 HD12 LEU 35 1.133 3.723 -1.340 270 3HD1 LEU 35 HD13 LEU 35 1.037 5.485 -1.256 271 1HD2 LEU 35 HD21 LEU 35 2.245 3.430 -4.803 272 2HD2 LEU 35 HD22 LEU 35 0.506 3.448 -4.475 273 3HD2 LEU 35 HD23 LEU 35 1.612 2.592 -3.390 274 H PHE 36 HN PHE 36 1.184 8.765 -5.170 275 HA PHE 36 HA PHE 36 -0.955 8.222 -6.897 276 1HB PHE 36 HB2 PHE 36 0.271 10.920 -6.277 277 2HB PHE 36 HB3 PHE 36 -1.331 10.632 -6.940 278 HD1 PHE 36 HD1 PHE 36 -3.118 9.528 -5.526 279 HD2 PHE 36 HD2 PHE 36 0.730 10.569 -3.926 280 HE1 PHE 36 HE1 PHE 36 -3.825 8.703 -3.288 281 HE2 PHE 36 HE2 PHE 36 -0.013 9.854 -1.675 282 HZ PHE 36 HZ PHE 36 -2.216 8.710 -1.387 283 H GLY 37 HN GLY 37 -0.595 7.393 -8.869 284 1HA GLY 37 HA1 GLY 37 -0.447 8.026 -11.227 285 2HA GLY 37 HA2 GLY 37 1.035 8.919 -10.878 286 H ARG 38 HN ARG 38 1.427 6.344 -8.914 287 HA ARG 38 HA ARG 38 3.422 5.262 -10.660 288 1HB ARG 38 HB2 ARG 38 3.522 5.600 -8.119 289 2HB ARG 38 HB3 ARG 38 2.545 4.138 -7.972 290 1HG ARG 38 HG2 ARG 38 4.236 2.839 -9.167 291 2HG ARG 38 HG3 ARG 38 5.195 4.290 -9.488 292 1HD ARG 38 HD3 ARG 38 4.547 3.359 -6.668 293 2HD ARG 38 HD2 ARG 38 5.888 2.657 -7.558 294 HE ARG 38 HE ARG 38 5.646 5.425 -6.525 295 1HH1 ARG 38 HH22 ARG 38 7.357 3.514 -8.945 296 2HH1 ARG 38 HH21 ARG 38 8.911 4.222 -8.642 297 1HH2 ARG 38 HH12 ARG 38 7.795 6.326 -5.997 298 2HH2 ARG 38 HH11 ARG 38 9.085 6.001 -7.101 299 H LYS 39 HN LYS 39 3.551 3.232 -11.605 300 HA LYS 39 HA LYS 39 1.062 1.649 -11.845 301 1HB LYS 39 HB2 LYS 39 2.219 2.369 -13.873 302 2HB LYS 39 HB3 LYS 39 3.685 1.502 -13.397 303 1HG LYS 39 HG2 LYS 39 2.674 -0.621 -13.628 304 2HG LYS 39 HG3 LYS 39 1.042 0.031 -13.591 305 1HD LYS 39 HD2 LYS 39 3.063 0.365 -15.851 306 2HD LYS 39 HD3 LYS 39 1.684 -0.732 -15.846 307 1HE LYS 39 HE2 LYS 39 1.623 2.320 -15.977 308 2HE LYS 39 HE3 LYS 39 1.103 1.161 -17.193 309 1HZ LYS 39 HZ1 LYS 39 -0.773 2.074 -16.025 310 2HZ LYS 39 HZ2 LYS 39 -0.662 0.461 -15.680 311 3HZ LYS 39 HZ3 LYS 39 -0.226 1.552 -14.568 312 H THR 40 HN THR 40 1.145 -0.680 -11.368 313 HA THR 40 HA THR 40 1.957 -0.808 -8.781 314 HB THR 40 HB THR 40 1.304 -3.222 -8.845 315 HG1 THR 40 HG1 THR 40 1.101 -4.199 -10.674 316 1HG2 THR 40 HG21 THR 40 -0.452 -1.603 -8.538 317 2HG2 THR 40 HG22 THR 40 -1.021 -2.876 -9.615 318 3HG2 THR 40 HG23 THR 40 -0.559 -1.287 -10.280 319 H GLY 41 HN GLY 41 3.327 -2.119 -7.546 320 1HA GLY 41 HA1 GLY 41 5.066 -3.609 -7.123 321 2HA GLY 41 HA2 GLY 41 5.429 -3.729 -8.837 322 H GLN 42 HN GLN 42 7.109 -2.619 -9.631 323 HA GLN 42 HA GLN 42 9.085 -1.476 -9.678 324 1HB GLN 42 HB2 GLN 42 7.304 0.703 -8.530 325 2HB GLN 42 HB3 GLN 42 8.803 0.931 -9.452 326 1HG GLN 42 HG2 GLN 42 7.750 -0.205 -11.404 327 2HG GLN 42 HG3 GLN 42 6.240 -0.351 -10.485 328 1HE2 GLN 42 HE21 GLN 42 6.125 0.971 -12.889 329 2HE2 GLN 42 HE22 GLN 42 6.021 2.706 -12.644 330 H ALA 43 HN ALA 43 9.551 -3.064 -7.634 331 HA ALA 43 HA ALA 43 10.568 -1.337 -5.390 332 1HB ALA 43 HB1 ALA 43 9.273 -4.065 -5.257 333 2HB ALA 43 HB2 ALA 43 10.028 -3.178 -3.907 334 3HB ALA 43 HB3 ALA 43 8.581 -2.527 -4.705 335 HA PRO 44 HA PRO 44 13.918 -3.767 -7.608 336 1HB PRO 44 HB2 PRO 44 15.926 -1.866 -7.336 337 2HB PRO 44 HB3 PRO 44 14.782 -1.964 -8.702 338 1HG PRO 44 HG2 PRO 44 14.580 -0.210 -6.246 339 2HG PRO 44 HG3 PRO 44 14.339 0.256 -7.954 340 1HD PRO 44 HD2 PRO 44 12.237 -0.268 -6.359 341 2HD PRO 44 HD3 PRO 44 12.230 -0.862 -8.042 342 H GLY 45 HN GLY 45 14.135 -1.804 -4.604 343 1HA GLY 45 HA1 GLY 45 16.187 -3.488 -3.422 344 2HA GLY 45 HA2 GLY 45 15.268 -2.197 -2.645 345 H PHE 46 HN PHE 46 12.981 -4.328 -4.018 346 HA PHE 46 HA PHE 46 12.927 -6.374 -1.982 347 1HB PHE 46 HB2 PHE 46 12.281 -4.444 -0.592 348 2HB PHE 46 HB3 PHE 46 11.031 -4.016 -1.754 349 HD1 PHE 46 HD1 PHE 46 12.058 -6.349 0.939 350 HD2 PHE 46 HD2 PHE 46 8.861 -5.201 -1.727 351 HE1 PHE 46 HE1 PHE 46 10.466 -7.712 2.245 352 HE2 PHE 46 HE2 PHE 46 7.309 -6.671 -0.494 353 HZ PHE 46 HZ PHE 46 8.093 -7.923 1.491 354 H THR 47 HN THR 47 12.958 -7.209 -4.310 355 HA THR 47 HA THR 47 10.986 -6.530 -6.091 356 HB THR 47 HB THR 47 12.553 -9.109 -5.904 357 HG1 THR 47 HG1 THR 47 12.788 -6.549 -7.133 358 1HG2 THR 47 HG21 THR 47 10.614 -9.418 -7.446 359 2HG2 THR 47 HG22 THR 47 11.039 -7.891 -8.258 360 3HG2 THR 47 HG23 THR 47 12.140 -9.278 -8.336 361 H TYR 48 HN TYR 48 9.012 -6.702 -6.174 362 HA TYR 48 HA TYR 48 7.127 -7.715 -4.550 363 1HB TYR 48 HB2 TYR 48 5.709 -7.546 -6.805 364 2HB TYR 48 HB3 TYR 48 6.408 -6.151 -6.020 365 HD1 TYR 48 HD1 TYR 48 7.579 -4.644 -7.289 366 HD2 TYR 48 HD2 TYR 48 7.653 -8.773 -8.484 367 HE1 TYR 48 HE1 TYR 48 9.005 -4.070 -9.278 368 HE2 TYR 48 HE2 TYR 48 9.237 -8.227 -10.276 369 HH TYR 48 HH TYR 48 10.344 -6.556 -11.418 370 H THR 49 HN THR 49 5.309 -9.199 -5.172 371 HA THR 49 HA THR 49 6.112 -11.949 -5.499 372 HB THR 49 HB THR 49 3.386 -10.548 -5.510 373 HG1 THR 49 HG1 THR 49 4.478 -10.078 -3.634 374 1HG2 THR 49 HG21 THR 49 4.205 -13.419 -4.942 375 2HG2 THR 49 HG22 THR 49 2.626 -12.717 -4.513 376 3HG2 THR 49 HG23 THR 49 3.089 -12.850 -6.212 377 H ASP 50 HN ASP 50 5.583 -9.447 -7.719 378 HA ASP 50 HA ASP 50 5.640 -9.297 -9.885 379 1HB ASP 50 HB2 ASP 50 6.948 -11.357 -10.165 380 2HB ASP 50 HB3 ASP 50 5.436 -12.270 -10.317 381 H ALA 51 HN ALA 51 3.283 -11.533 -8.477 382 HA ALA 51 HA ALA 51 1.065 -11.032 -9.965 383 1HB ALA 51 HB1 ALA 51 -0.274 -11.275 -7.894 384 2HB ALA 51 HB2 ALA 51 1.070 -12.431 -7.935 385 3HB ALA 51 HB3 ALA 51 1.177 -10.979 -6.915 386 H ASN 52 HN ASN 52 2.165 -8.822 -7.359 387 HA ASN 52 HA ASN 52 0.158 -6.870 -7.724 388 1HB ASN 52 HB2 ASN 52 2.897 -6.948 -6.420 389 2HB ASN 52 HB3 ASN 52 2.088 -5.405 -6.582 390 1HD2 ASN 52 HD21 ASN 52 0.655 -4.802 -5.070 391 2HD2 ASN 52 HD22 ASN 52 -0.005 -5.833 -3.794 392 H LYS 53 HN LYS 53 3.464 -5.996 -8.375 393 HA LYS 53 HA LYS 53 4.018 -4.693 -10.657 394 1HB LYS 53 HB2 LYS 53 5.632 -5.863 -9.699 395 2HB LYS 53 HB3 LYS 53 4.680 -7.321 -9.491 396 1HG LYS 53 HG2 LYS 53 6.492 -7.669 -11.044 397 2HG LYS 53 HG3 LYS 53 4.903 -7.905 -11.760 398 1HD LYS 53 HD2 LYS 53 5.640 -5.155 -12.222 399 2HD LYS 53 HD3 LYS 53 7.094 -6.113 -12.536 400 1HE LYS 53 HE2 LYS 53 4.309 -6.735 -13.610 401 2HE LYS 53 HE3 LYS 53 5.502 -5.829 -14.452 402 1HZ LYS 53 HZ1 LYS 53 6.103 -8.566 -13.352 403 2HZ LYS 53 HZ2 LYS 53 5.102 -8.495 -14.594 404 3HZ LYS 53 HZ3 LYS 53 6.667 -7.943 -14.768 405 H ASN 54 HN ASN 54 2.252 -7.837 -11.075 406 HA ASN 54 HA ASN 54 2.206 -7.297 -13.939 407 1HB ASN 54 HB2 ASN 54 1.044 -9.471 -12.176 408 2HB ASN 54 HB3 ASN 54 0.642 -9.352 -13.880 409 1HD2 ASN 54 HD21 ASN 54 2.076 -11.547 -12.585 410 2HD2 ASN 54 HD22 ASN 54 3.724 -11.529 -13.200 411 H LYS 55 HN LYS 55 -0.158 -6.787 -11.380 412 HA LYS 55 HA LYS 55 -2.377 -6.605 -13.111 413 1HB LYS 55 HB2 LYS 55 -1.878 -5.998 -10.354 414 2HB LYS 55 HB3 LYS 55 -2.687 -4.599 -11.034 415 1HG LYS 55 HG2 LYS 55 -3.685 -7.478 -11.104 416 2HG LYS 55 HG3 LYS 55 -4.302 -6.147 -10.120 417 1HD LYS 55 HD2 LYS 55 -4.886 -4.920 -12.271 418 2HD LYS 55 HD3 LYS 55 -4.534 -6.421 -13.143 419 1HE LYS 55 HE2 LYS 55 -6.196 -7.603 -11.621 420 2HE LYS 55 HE3 LYS 55 -6.620 -6.020 -10.949 421 1HZ LYS 55 HZ1 LYS 55 -7.308 -5.337 -13.142 422 2HZ LYS 55 HZ2 LYS 55 -6.924 -6.813 -13.766 423 3HZ LYS 55 HZ3 LYS 55 -8.128 -6.676 -12.654 424 H GLY 56 HN GLY 56 0.077 -4.154 -12.316 425 1HA GLY 56 HA1 GLY 56 0.753 -2.323 -13.413 426 2HA GLY 56 HA2 GLY 56 0.116 -3.114 -14.869 427 H ILE 57 HN ILE 57 -1.770 -1.955 -12.070 428 HA ILE 57 HA ILE 57 -3.395 -0.305 -13.826 429 HB ILE 57 HB ILE 57 -4.794 0.104 -11.924 430 1HG1 ILE 57 HG12 ILE 57 -2.899 -1.571 -10.276 431 2HG1 ILE 57 HG13 ILE 57 -2.862 0.193 -10.248 432 1HG2 ILE 57 HG21 ILE 57 -3.989 -2.815 -12.050 433 2HG2 ILE 57 HG22 ILE 57 -5.579 -2.157 -11.620 434 3HG2 ILE 57 HG23 ILE 57 -4.975 -1.990 -13.271 435 1HD1 ILE 57 HD11 ILE 57 -5.250 0.228 -9.552 436 2HD1 ILE 57 HD12 ILE 57 -5.240 -1.551 -9.485 437 3HD1 ILE 57 HD13 ILE 57 -4.199 -0.619 -8.401 438 H THR 58 HN THR 58 -3.875 1.844 -11.800 439 HA THR 58 HA THR 58 -1.275 3.232 -11.746 440 HB THR 58 HB THR 58 -3.866 4.550 -12.639 441 HG1 THR 58 HG1 THR 58 -3.222 3.230 -14.267 442 1HG2 THR 58 HG21 THR 58 -2.343 6.401 -13.264 443 2HG2 THR 58 HG22 THR 58 -2.197 6.045 -11.531 444 3HG2 THR 58 HG23 THR 58 -0.951 5.477 -12.666 445 H TRP 59 HN TRP 59 -0.946 3.514 -9.601 446 HA TRP 59 HA TRP 59 -3.138 3.334 -7.715 447 1HB TRP 59 HB2 TRP 59 -0.205 3.978 -7.461 448 2HB TRP 59 HB3 TRP 59 -1.292 4.059 -6.092 449 HD1 TRP 59 HD1 TRP 59 1.093 1.845 -7.407 450 HE1 TRP 59 HE1 TRP 59 0.775 -0.576 -6.779 451 HE3 TRP 59 HE3 TRP 59 -3.860 2.044 -6.025 452 HZ2 TRP 59 HZ2 TRP 59 -1.448 -2.307 -6.050 453 HZ3 TRP 59 HZ3 TRP 59 -5.105 -0.076 -5.637 454 HH2 TRP 59 HH2 TRP 59 -3.895 -2.240 -5.666 455 H LYS 60 HN LYS 60 -4.453 4.897 -7.135 456 HA LYS 60 HA LYS 60 -3.500 7.598 -6.749 457 1HB LYS 60 HB2 LYS 60 -5.505 8.578 -7.851 458 2HB LYS 60 HB3 LYS 60 -4.366 7.876 -9.002 459 1HG LYS 60 HG2 LYS 60 -5.719 5.901 -9.311 460 2HG LYS 60 HG3 LYS 60 -6.815 6.355 -8.006 461 1HD LYS 60 HD2 LYS 60 -6.474 7.825 -10.664 462 2HD LYS 60 HD3 LYS 60 -7.809 6.762 -10.181 463 1HE LYS 60 HE2 LYS 60 -8.064 8.417 -8.147 464 2HE LYS 60 HE3 LYS 60 -7.160 9.559 -9.152 465 1HZ LYS 60 HZ1 LYS 60 -8.968 9.445 -10.759 466 2HZ LYS 60 HZ2 LYS 60 -9.654 8.169 -9.911 467 3HZ LYS 60 HZ3 LYS 60 -9.641 9.572 -9.222 468 H GLU 61 HN GLU 61 -5.493 8.724 -5.574 469 HA GLU 61 HA GLU 61 -5.869 7.482 -3.180 470 1HB GLU 61 HB2 GLU 61 -7.724 9.068 -2.807 471 2HB GLU 61 HB3 GLU 61 -6.149 9.714 -3.285 472 1HG GLU 61 HG2 GLU 61 -7.215 9.737 -5.735 473 2HG GLU 61 HG3 GLU 61 -8.699 9.538 -4.795 474 H GLU 62 HN GLU 62 -8.379 7.418 -5.726 475 HA GLU 62 HA GLU 62 -10.190 5.690 -4.514 476 1HB GLU 62 HB2 GLU 62 -9.394 5.959 -7.383 477 2HB GLU 62 HB3 GLU 62 -10.842 5.094 -6.871 478 1HG GLU 62 HG2 GLU 62 -11.997 7.023 -6.358 479 2HG GLU 62 HG3 GLU 62 -10.562 7.906 -5.835 480 H THR 63 HN THR 63 -7.916 4.457 -7.061 481 HA THR 63 HA THR 63 -8.226 1.778 -6.626 482 HB THR 63 HB THR 63 -5.878 1.588 -7.573 483 HG1 THR 63 HG1 THR 63 -5.203 3.581 -8.567 484 1HG2 THR 63 HG21 THR 63 -6.649 2.375 -9.795 485 2HG2 THR 63 HG22 THR 63 -7.933 1.499 -8.952 486 3HG2 THR 63 HG23 THR 63 -7.972 3.271 -9.029 487 H LEU 64 HN LEU 64 -5.977 3.944 -4.807 488 HA LEU 64 HA LEU 64 -4.912 1.877 -3.170 489 1HB LEU 64 HB2 LEU 64 -5.299 4.857 -2.766 490 2HB LEU 64 HB3 LEU 64 -4.450 3.835 -1.611 491 HG LEU 64 HG LEU 64 -3.580 3.992 -4.513 492 1HD1 LEU 64 HD11 LEU 64 -1.955 5.648 -3.860 493 2HD1 LEU 64 HD12 LEU 64 -3.571 6.252 -3.496 494 3HD1 LEU 64 HD13 LEU 64 -2.549 5.637 -2.186 495 1HD2 LEU 64 HD21 LEU 64 -2.746 2.039 -3.246 496 2HD2 LEU 64 HD22 LEU 64 -1.459 3.187 -3.574 497 3HD2 LEU 64 HD23 LEU 64 -2.181 3.118 -1.952 498 H MET 65 HN MET 65 -7.659 4.180 -2.332 499 HA MET 65 HA MET 65 -8.207 2.889 0.112 500 1HB MET 65 HB2 MET 65 -10.315 4.007 0.073 501 2HB MET 65 HB3 MET 65 -9.007 5.113 -0.380 502 1HG MET 65 HG2 MET 65 -9.699 5.075 -2.581 503 2HG MET 65 HG3 MET 65 -10.811 3.721 -2.388 504 1HE MET 65 HE1 MET 65 -11.644 7.880 -0.533 505 2HE MET 65 HE2 MET 65 -10.685 6.631 0.287 506 3HE MET 65 HE3 MET 65 -10.060 7.407 -1.193 507 H GLU 66 HN GLU 66 -9.111 2.086 -3.146 508 HA GLU 66 HA GLU 66 -11.070 0.084 -2.458 509 1HB GLU 66 HB2 GLU 66 -9.510 0.914 -4.934 510 2HB GLU 66 HB3 GLU 66 -10.493 -0.529 -4.932 511 1HG GLU 66 HG2 GLU 66 -11.261 2.410 -4.680 512 2HG GLU 66 HG3 GLU 66 -11.932 1.198 -5.761 513 H TYR 67 HN TYR 67 -7.713 -0.350 -3.668 514 HA TYR 67 HA TYR 67 -7.559 -3.122 -3.174 515 1HB TYR 67 HB2 TYR 67 -5.898 -1.881 -4.435 516 2HB TYR 67 HB3 TYR 67 -5.479 -0.871 -3.055 517 HD1 TYR 67 HD1 TYR 67 -3.684 -1.508 -1.574 518 HD2 TYR 67 HD2 TYR 67 -5.206 -4.277 -4.467 519 HE1 TYR 67 HE1 TYR 67 -1.742 -3.000 -1.196 520 HE2 TYR 67 HE2 TYR 67 -3.380 -5.863 -3.947 521 HH TYR 67 HH TYR 67 -1.596 -6.273 -2.437 522 H LEU 68 HN LEU 68 -6.940 -0.363 -0.935 523 HA LEU 68 HA LEU 68 -6.053 -2.043 1.229 524 1HB LEU 68 HB2 LEU 68 -7.004 0.793 1.132 525 2HB LEU 68 HB3 LEU 68 -6.342 0.005 2.588 526 HG LEU 68 HG LEU 68 -4.813 0.213 -0.050 527 1HD1 LEU 68 HD11 LEU 68 -3.611 2.042 1.062 528 2HD1 LEU 68 HD12 LEU 68 -5.341 2.415 0.903 529 3HD1 LEU 68 HD13 LEU 68 -4.695 1.883 2.474 530 1HD2 LEU 68 HD21 LEU 68 -3.953 -1.611 1.379 531 2HD2 LEU 68 HD22 LEU 68 -2.874 -0.228 1.415 532 3HD2 LEU 68 HD23 LEU 68 -3.952 -0.526 2.790 533 H GLU 69 HN GLU 69 -9.260 -1.441 0.018 534 HA GLU 69 HA GLU 69 -10.577 -2.452 2.445 535 1HB GLU 69 HB2 GLU 69 -11.470 -1.030 0.251 536 2HB GLU 69 HB3 GLU 69 -11.877 -2.625 -0.275 537 1HG GLU 69 HG2 GLU 69 -12.709 -1.518 2.423 538 2HG GLU 69 HG3 GLU 69 -13.715 -1.504 0.957 539 H ASN 70 HN ASN 70 -9.910 -3.445 -0.915 540 HA ASN 70 HA ASN 70 -10.179 -6.310 -0.104 541 1HB ASN 70 HB2 ASN 70 -12.063 -4.691 -1.336 542 2HB ASN 70 HB3 ASN 70 -11.336 -5.465 -2.712 543 1HD2 ASN 70 HD21 ASN 70 -13.214 -5.820 0.222 544 2HD2 ASN 70 HD22 ASN 70 -13.649 -7.520 0.014 545 HA PRO 71 HA PRO 71 -6.458 -5.398 -2.609 546 1HB PRO 71 HB2 PRO 71 -4.550 -6.891 -1.305 547 2HB PRO 71 HB3 PRO 71 -5.107 -5.293 -0.762 548 1HG PRO 71 HG2 PRO 71 -6.065 -7.982 0.230 549 2HG PRO 71 HG3 PRO 71 -5.564 -6.572 1.200 550 1HD PRO 71 HD2 PRO 71 -8.183 -7.100 0.667 551 2HD PRO 71 HD3 PRO 71 -7.579 -5.426 0.733 552 H LYS 72 HN LYS 72 -7.698 -8.540 -1.565 553 HA LYS 72 HA LYS 72 -6.363 -10.068 -3.542 554 1HB LYS 72 HB2 LYS 72 -7.416 -10.848 -1.366 555 2HB LYS 72 HB3 LYS 72 -8.978 -10.842 -2.211 556 1HG LYS 72 HG2 LYS 72 -8.069 -12.444 -3.878 557 2HG LYS 72 HG3 LYS 72 -6.465 -12.322 -3.125 558 1HD LYS 72 HD2 LYS 72 -7.387 -13.232 -1.007 559 2HD LYS 72 HD3 LYS 72 -8.965 -13.447 -1.801 560 1HE LYS 72 HE2 LYS 72 -7.915 -14.968 -3.475 561 2HE LYS 72 HE3 LYS 72 -6.325 -14.704 -2.741 562 1HZ LYS 72 HZ1 LYS 72 -7.133 -15.739 -0.738 563 2HZ LYS 72 HZ2 LYS 72 -8.618 -15.990 -1.408 564 3HZ LYS 72 HZ3 LYS 72 -7.295 -16.754 -2.019 565 H LYS 73 HN LYS 73 -9.452 -8.279 -3.644 566 HA LYS 73 HA LYS 73 -10.434 -9.441 -6.097 567 1HB LYS 73 HB2 LYS 73 -10.873 -6.818 -4.645 568 2HB LYS 73 HB3 LYS 73 -11.514 -7.032 -6.268 569 1HG LYS 73 HG2 LYS 73 -12.105 -9.061 -4.090 570 2HG LYS 73 HG3 LYS 73 -13.037 -7.562 -4.261 571 1HD LYS 73 HD2 LYS 73 -13.570 -8.131 -6.611 572 2HD LYS 73 HD3 LYS 73 -12.712 -9.677 -6.436 573 1HE LYS 73 HE2 LYS 73 -14.270 -10.346 -4.619 574 2HE LYS 73 HE3 LYS 73 -15.094 -8.783 -4.728 575 1HZ LYS 73 HZ1 LYS 73 -14.999 -10.802 -6.871 576 2HZ LYS 73 HZ2 LYS 73 -16.283 -10.483 -5.895 577 3HZ LYS 73 HZ3 LYS 73 -15.763 -9.344 -6.958 578 H TYR 74 HN TYR 74 -8.432 -6.541 -5.385 579 HA TYR 74 HA TYR 74 -7.913 -5.830 -8.094 580 1HB TYR 74 HB2 TYR 74 -6.642 -5.409 -5.422 581 2HB TYR 74 HB3 TYR 74 -5.726 -4.937 -6.858 582 HD1 TYR 74 HD1 TYR 74 -9.252 -4.543 -5.501 583 HD2 TYR 74 HD2 TYR 74 -5.885 -2.692 -7.464 584 HE1 TYR 74 HE1 TYR 74 -10.661 -2.630 -6.112 585 HE2 TYR 74 HE2 TYR 74 -7.271 -0.707 -7.956 586 HH TYR 74 HH TYR 74 -9.430 0.159 -7.996 587 H ILE 75 HN ILE 75 -5.808 -7.658 -5.806 588 HA ILE 75 HA ILE 75 -4.391 -8.874 -8.146 589 HB ILE 75 HB ILE 75 -3.244 -7.604 -5.653 590 1HG1 ILE 75 HG12 ILE 75 -2.383 -7.020 -8.461 591 2HG1 ILE 75 HG13 ILE 75 -3.899 -6.302 -7.922 592 1HG2 ILE 75 HG21 ILE 75 -2.038 -9.739 -6.179 593 2HG2 ILE 75 HG22 ILE 75 -1.828 -9.193 -7.847 594 3HG2 ILE 75 HG23 ILE 75 -1.051 -8.329 -6.504 595 1HD1 ILE 75 HD11 ILE 75 -1.371 -5.942 -6.334 596 2HD1 ILE 75 HD12 ILE 75 -1.901 -4.834 -7.614 597 3HD1 ILE 75 HD13 ILE 75 -2.911 -5.083 -6.181 598 HA PRO 76 HA PRO 76 -6.215 -12.149 -5.599 599 1HB PRO 76 HB2 PRO 76 -5.598 -14.346 -7.172 600 2HB PRO 76 HB3 PRO 76 -6.977 -13.242 -7.434 601 1HG PRO 76 HG2 PRO 76 -4.269 -13.162 -8.770 602 2HG PRO 76 HG3 PRO 76 -5.878 -13.021 -9.534 603 1HD PRO 76 HD2 PRO 76 -4.386 -10.852 -8.986 604 2HD PRO 76 HD3 PRO 76 -6.155 -10.790 -8.714 605 H GLY 77 HN GLY 77 -2.935 -12.355 -6.900 606 1HA GLY 77 HA1 GLY 77 -2.003 -14.061 -4.662 607 2HA GLY 77 HA2 GLY 77 -1.084 -13.536 -6.073 608 H THR 78 HN THR 78 -2.929 -11.144 -4.178 609 HA THR 78 HA THR 78 -0.648 -9.559 -3.658 610 HB THR 78 HB THR 78 -2.909 -8.697 -3.716 611 HG1 THR 78 HG1 THR 78 -1.843 -8.256 -1.156 612 1HG2 THR 78 HG21 THR 78 -4.559 -9.011 -2.057 613 2HG2 THR 78 HG22 THR 78 -4.024 -10.641 -2.443 614 3HG2 THR 78 HG23 THR 78 -3.473 -9.848 -0.954 615 H LYS 79 HN LYS 79 1.117 -10.124 -2.351 616 HA LYS 79 HA LYS 79 0.840 -12.215 -0.404 617 1HB LYS 79 HB2 LYS 79 2.555 -11.820 -2.147 618 2HB LYS 79 HB3 LYS 79 3.176 -10.441 -1.257 619 1HG LYS 79 HG2 LYS 79 3.004 -13.045 0.217 620 2HG LYS 79 HG3 LYS 79 4.050 -13.083 -1.194 621 1HD LYS 79 HD2 LYS 79 4.220 -11.171 1.132 622 2HD LYS 79 HD3 LYS 79 5.289 -12.553 0.859 623 1HE LYS 79 HE2 LYS 79 5.261 -9.820 -0.373 624 2HE LYS 79 HE3 LYS 79 6.633 -10.737 0.201 625 1HZ LYS 79 HZ1 LYS 79 5.137 -11.429 -2.266 626 2HZ LYS 79 HZ2 LYS 79 6.170 -10.240 -2.228 627 3HZ LYS 79 HZ3 LYS 79 6.726 -11.787 -1.902 628 H MET 80 HN MET 80 -0.840 -10.149 0.365 629 HA MET 80 HA MET 80 0.511 -8.706 2.622 630 1HB MET 80 HB2 MET 80 -0.007 -7.158 0.885 631 2HB MET 80 HB3 MET 80 -1.670 -7.738 0.768 632 1HG MET 80 HG2 MET 80 -2.328 -6.710 2.744 633 2HG MET 80 HG3 MET 80 -0.725 -6.686 3.411 634 1HE MET 80 HE1 MET 80 -2.625 -5.332 0.186 635 2HE MET 80 HE2 MET 80 -3.432 -5.030 1.730 636 3HE MET 80 HE3 MET 80 -2.771 -3.688 0.820 637 H ILE 81 HN ILE 81 0.045 -10.684 3.772 638 HA ILE 81 HA ILE 81 -2.615 -11.618 4.177 639 HB ILE 81 HB ILE 81 -0.812 -13.080 4.583 640 1HG1 ILE 81 HG12 ILE 81 -1.295 -13.974 6.786 641 2HG1 ILE 81 HG13 ILE 81 -2.050 -12.464 7.299 642 1HG2 ILE 81 HG21 ILE 81 0.825 -12.902 6.357 643 2HG2 ILE 81 HG22 ILE 81 0.990 -11.527 5.270 644 3HG2 ILE 81 HG23 ILE 81 0.211 -11.324 6.851 645 1HD1 ILE 81 HD11 ILE 81 -3.672 -14.254 6.653 646 2HD1 ILE 81 HD12 ILE 81 -3.874 -12.789 5.684 647 3HD1 ILE 81 HD13 ILE 81 -3.041 -14.206 4.995 648 H PHE 82 HN PHE 82 -3.845 -9.761 4.435 649 HA PHE 82 HA PHE 82 -3.723 -8.327 7.040 650 1HB PHE 82 HB2 PHE 82 -2.461 -7.312 5.074 651 2HB PHE 82 HB3 PHE 82 -3.989 -7.295 4.186 652 HD1 PHE 82 HD1 PHE 82 -4.719 -5.085 3.943 653 HD2 PHE 82 HD2 PHE 82 -2.775 -6.265 7.613 654 HE1 PHE 82 HE1 PHE 82 -4.334 -2.732 4.505 655 HE2 PHE 82 HE2 PHE 82 -2.561 -3.907 8.258 656 HZ PHE 82 HZ PHE 82 -3.094 -2.144 6.594 657 H ALA 83 HN ALA 83 -5.586 -7.143 7.516 658 HA ALA 83 HA ALA 83 -7.903 -8.790 7.315 659 1HB ALA 83 HB1 ALA 83 -7.557 -5.957 8.372 660 2HB ALA 83 HB2 ALA 83 -8.896 -7.066 8.757 661 3HB ALA 83 HB3 ALA 83 -7.233 -7.453 9.282 662 H GLY 84 HN GLY 84 -7.007 -5.687 5.814 663 1HA GLY 84 HA1 GLY 84 -8.064 -4.635 3.952 664 2HA GLY 84 HA2 GLY 84 -9.468 -5.706 4.138 665 H ILE 85 HN ILE 85 -8.413 -2.549 4.746 666 HA ILE 85 HA ILE 85 -9.533 -2.385 7.484 667 HB ILE 85 HB ILE 85 -8.390 -0.104 5.859 668 1HG1 ILE 85 HG12 ILE 85 -7.005 -1.933 7.875 669 2HG1 ILE 85 HG13 ILE 85 -6.714 -1.952 6.130 670 1HG2 ILE 85 HG21 ILE 85 -8.219 0.981 8.028 671 2HG2 ILE 85 HG22 ILE 85 -9.875 0.441 7.841 672 3HG2 ILE 85 HG23 ILE 85 -8.769 -0.492 8.855 673 1HD1 ILE 85 HD11 ILE 85 -5.936 0.375 6.183 674 2HD1 ILE 85 HD12 ILE 85 -6.135 0.417 7.949 675 3HD1 ILE 85 HD13 ILE 85 -4.980 -0.704 7.224 676 H LYS 86 HN LYS 86 -11.591 -3.131 6.633 677 HA LYS 86 HA LYS 86 -13.350 -2.284 4.937 678 1HB LYS 86 HB2 LYS 86 -13.697 -3.879 6.823 679 2HB LYS 86 HB3 LYS 86 -14.100 -2.515 7.879 680 1HG LYS 86 HG2 LYS 86 -16.032 -1.970 6.398 681 2HG LYS 86 HG3 LYS 86 -15.559 -3.295 5.310 682 1HD LYS 86 HD2 LYS 86 -15.859 -4.929 7.133 683 2HD LYS 86 HD3 LYS 86 -16.277 -3.625 8.266 684 1HE LYS 86 HE2 LYS 86 -18.277 -3.064 6.902 685 2HE LYS 86 HE3 LYS 86 -17.847 -4.324 5.731 686 1HZ LYS 86 HZ1 LYS 86 -19.519 -5.069 7.266 687 2HZ LYS 86 HZ2 LYS 86 -18.151 -5.957 7.459 688 3HZ LYS 86 HZ3 LYS 86 -18.542 -4.794 8.559 689 H LYS 87 HN LYS 87 -12.950 -0.344 7.945 690 HA LYS 87 HA LYS 87 -14.793 1.721 7.368 691 1HB LYS 87 HB2 LYS 87 -12.207 1.655 8.977 692 2HB LYS 87 HB3 LYS 87 -13.255 3.059 8.854 693 1HG LYS 87 HG2 LYS 87 -15.081 1.129 9.627 694 2HG LYS 87 HG3 LYS 87 -13.588 0.602 10.444 695 1HD LYS 87 HD2 LYS 87 -13.275 2.972 11.248 696 2HD LYS 87 HD3 LYS 87 -14.855 3.383 10.553 697 1HE LYS 87 HE2 LYS 87 -15.940 1.726 12.066 698 2HE LYS 87 HE3 LYS 87 -14.347 1.276 12.712 699 1HZ LYS 87 HZ1 LYS 87 -15.562 3.950 12.930 700 2HZ LYS 87 HZ2 LYS 87 -15.470 2.835 14.137 701 3HZ LYS 87 HZ3 LYS 87 -14.094 3.499 13.528 702 H LYS 88 HN LYS 88 -14.722 2.444 5.281 703 HA LYS 88 HA LYS 88 -12.758 3.532 3.742 704 1HB LYS 88 HB2 LYS 88 -15.534 4.473 4.433 705 2HB LYS 88 HB3 LYS 88 -14.528 5.499 3.413 706 1HG LYS 88 HG2 LYS 88 -14.896 2.572 2.704 707 2HG LYS 88 HG3 LYS 88 -16.139 3.768 2.309 708 1HD LYS 88 HD2 LYS 88 -14.534 5.136 1.066 709 2HD LYS 88 HD3 LYS 88 -13.222 4.007 1.441 710 1HE LYS 88 HE2 LYS 88 -14.377 2.215 0.173 711 2HE LYS 88 HE3 LYS 88 -15.744 3.279 -0.152 712 1HZ LYS 88 HZ1 LYS 88 -13.054 4.064 -1.025 713 2HZ LYS 88 HZ2 LYS 88 -13.883 2.983 -1.903 714 3HZ LYS 88 HZ3 LYS 88 -14.508 4.478 -1.654 715 H THR 89 HN THR 89 -14.143 5.173 6.643 716 HA THR 89 HA THR 89 -12.739 7.568 6.479 717 HB THR 89 HB THR 89 -13.124 7.600 8.992 718 HG1 THR 89 HG1 THR 89 -13.029 5.405 9.424 719 1HG2 THR 89 HG21 THR 89 -15.566 7.670 8.795 720 2HG2 THR 89 HG22 THR 89 -14.818 8.419 7.371 721 3HG2 THR 89 HG23 THR 89 -15.507 6.787 7.258 722 H GLU 90 HN GLU 90 -11.603 4.453 7.919 723 HA GLU 90 HA GLU 90 -9.213 5.608 9.135 724 1HB GLU 90 HB2 GLU 90 -10.119 2.802 8.350 725 2HB GLU 90 HB3 GLU 90 -8.472 3.143 8.861 726 1HG GLU 90 HG2 GLU 90 -9.311 4.006 11.034 727 2HG GLU 90 HG3 GLU 90 -10.983 3.921 10.466 728 H ARG 91 HN ARG 91 -10.176 4.111 6.063 729 HA ARG 91 HA ARG 91 -7.520 4.075 5.068 730 1HB ARG 91 HB2 ARG 91 -10.079 4.024 3.439 731 2HB ARG 91 HB3 ARG 91 -8.448 3.564 2.909 732 1HG ARG 91 HG2 ARG 91 -8.487 2.035 5.097 733 2HG ARG 91 HG3 ARG 91 -10.233 2.187 4.946 734 1HD ARG 91 HD2 ARG 91 -8.260 1.130 2.921 735 2HD ARG 91 HD3 ARG 91 -9.368 0.117 3.821 736 HE ARG 91 HE ARG 91 -9.848 1.378 1.360 737 1HH1 ARG 91 HH22 ARG 91 -11.520 0.666 4.349 738 2HH1 ARG 91 HH21 ARG 91 -13.110 0.587 3.687 739 1HH2 ARG 91 HH12 ARG 91 -11.707 1.138 0.378 740 2HH2 ARG 91 HH11 ARG 91 -13.173 0.665 1.209 741 H GLU 92 HN GLU 92 -10.206 6.537 4.622 742 HA GLU 92 HA GLU 92 -8.854 8.318 3.070 743 1HB GLU 92 HB2 GLU 92 -10.375 9.017 5.610 744 2HB GLU 92 HB3 GLU 92 -9.967 10.109 4.266 745 1HG GLU 92 HG2 GLU 92 -11.444 8.853 2.791 746 2HG GLU 92 HG3 GLU 92 -11.813 7.738 4.081 747 H ASP 93 HN ASP 93 -8.550 7.992 6.635 748 HA ASP 93 HA ASP 93 -6.686 10.099 6.980 749 1HB ASP 93 HB2 ASP 93 -7.166 7.473 8.504 750 2HB ASP 93 HB3 ASP 93 -5.896 8.604 8.970 751 H LEU 94 HN LEU 94 -6.257 6.829 5.768 752 HA LEU 94 HA LEU 94 -3.359 6.987 6.034 753 1HB LEU 94 HB2 LEU 94 -5.195 5.000 4.657 754 2HB LEU 94 HB3 LEU 94 -3.447 4.915 4.502 755 HG LEU 94 HG LEU 94 -4.646 5.143 7.279 756 1HD1 LEU 94 HD11 LEU 94 -4.648 2.702 5.498 757 2HD1 LEU 94 HD12 LEU 94 -4.638 2.588 7.279 758 3HD1 LEU 94 HD13 LEU 94 -5.970 3.395 6.455 759 1HD2 LEU 94 HD21 LEU 94 -2.656 3.746 7.803 760 2HD2 LEU 94 HD22 LEU 94 -2.179 3.773 6.100 761 3HD2 LEU 94 HD23 LEU 94 -2.206 5.279 7.041 762 H ILE 95 HN ILE 95 -5.773 7.301 3.325 763 HA ILE 95 HA ILE 95 -3.861 7.743 1.270 764 HB ILE 95 HB ILE 95 -6.709 8.816 1.539 765 1HG1 ILE 95 HG12 ILE 95 -7.005 6.468 1.655 766 2HG1 ILE 95 HG13 ILE 95 -7.319 6.913 -0.001 767 1HG2 ILE 95 HG21 ILE 95 -4.920 8.435 -0.880 768 2HG2 ILE 95 HG22 ILE 95 -6.647 8.869 -0.910 769 3HG2 ILE 95 HG23 ILE 95 -5.484 9.980 -0.199 770 1HD1 ILE 95 HD11 ILE 95 -4.989 6.136 -0.596 771 2HD1 ILE 95 HD12 ILE 95 -4.816 5.570 1.087 772 3HD1 ILE 95 HD13 ILE 95 -6.062 4.875 0.044 773 H ALA 96 HN ALA 96 -5.481 9.940 3.584 774 HA ALA 96 HA ALA 96 -4.537 12.415 2.603 775 1HB ALA 96 HB1 ALA 96 -5.077 11.535 5.472 776 2HB ALA 96 HB2 ALA 96 -4.918 13.210 4.911 777 3HB ALA 96 HB3 ALA 96 -6.263 12.198 4.337 778 H TYR 97 HN TYR 97 -3.099 10.289 5.187 779 HA TYR 97 HA TYR 97 -0.691 11.819 5.315 780 1HB TYR 97 HB2 TYR 97 -1.117 10.532 7.151 781 2HB TYR 97 HB3 TYR 97 -1.426 9.065 6.207 782 HD1 TYR 97 HD1 TYR 97 1.238 11.458 7.254 783 HD2 TYR 97 HD2 TYR 97 0.297 7.688 5.530 784 HE1 TYR 97 HE1 TYR 97 3.663 10.825 7.318 785 HE2 TYR 97 HE2 TYR 97 2.666 6.895 5.860 786 HH TYR 97 HH TYR 97 5.287 8.968 7.098 787 H LEU 98 HN LEU 98 -1.416 8.986 3.294 788 HA LEU 98 HA LEU 98 1.063 8.745 1.948 789 1HB LEU 98 HB2 LEU 98 -1.829 8.335 1.241 790 2HB LEU 98 HB3 LEU 98 -0.628 8.273 -0.031 791 HG LEU 98 HG LEU 98 0.284 6.369 0.622 792 1HD1 LEU 98 HD11 LEU 98 0.888 6.808 2.927 793 2HD1 LEU 98 HD12 LEU 98 -0.811 6.627 3.415 794 3HD1 LEU 98 HD13 LEU 98 0.091 5.236 2.786 795 1HD2 LEU 98 HD21 LEU 98 -2.117 6.082 -0.026 796 2HD2 LEU 98 HD22 LEU 98 -1.404 4.729 0.872 797 3HD2 LEU 98 HD23 LEU 98 -2.485 5.871 1.700 798 H LYS 99 HN LYS 99 -1.613 11.150 1.416 799 HA LYS 99 HA LYS 99 -0.269 12.326 -0.831 800 1HB LYS 99 HB2 LYS 99 -2.686 13.022 0.837 801 2HB LYS 99 HB3 LYS 99 -1.950 14.214 -0.219 802 1HG LYS 99 HG2 LYS 99 -2.110 12.644 -2.133 803 2HG LYS 99 HG3 LYS 99 -2.906 11.457 -1.082 804 1HD LYS 99 HD2 LYS 99 -4.835 12.854 -0.799 805 2HD LYS 99 HD3 LYS 99 -4.000 14.275 -1.467 806 1HE LYS 99 HE2 LYS 99 -3.862 13.218 -3.688 807 2HE LYS 99 HE3 LYS 99 -4.630 11.748 -3.072 808 1HZ LYS 99 HZ1 LYS 99 -6.136 13.184 -4.270 809 2HZ LYS 99 HZ2 LYS 99 -6.666 12.879 -2.829 810 3HZ LYS 99 HZ3 LYS 99 -5.996 14.382 -3.130 811 H LYS 100 HN LYS 100 0.592 12.439 2.467 812 HA LYS 100 HA LYS 100 2.680 14.297 1.587 813 1HB LYS 100 HB2 LYS 100 1.175 14.660 4.207 814 2HB LYS 100 HB3 LYS 100 2.803 15.269 3.865 815 1HG LYS 100 HG2 LYS 100 1.663 16.213 1.669 816 2HG LYS 100 HG3 LYS 100 0.184 16.134 2.611 817 1HD LYS 100 HD2 LYS 100 0.911 17.806 4.103 818 2HD LYS 100 HD3 LYS 100 2.614 17.382 3.910 819 1HE LYS 100 HE2 LYS 100 0.989 18.934 1.859 820 2HE LYS 100 HE3 LYS 100 2.243 19.556 2.948 821 1HZ LYS 100 HZ1 LYS 100 2.576 18.005 0.512 822 2HZ LYS 100 HZ2 LYS 100 3.575 17.585 1.707 823 3HZ LYS 100 HZ3 LYS 100 3.546 19.108 1.072 824 H ALA 101 HN ALA 101 2.805 11.679 1.349 825 HA ALA 101 HA ALA 101 5.311 11.312 2.817 826 1HB ALA 101 HB1 ALA 101 3.843 10.163 4.385 827 2HB ALA 101 HB2 ALA 101 3.086 9.228 3.082 828 3HB ALA 101 HB3 ALA 101 4.785 8.947 3.490 829 H THR 102 HN THR 102 2.875 9.636 0.794 830 HA THR 102 HA THR 102 5.011 8.573 -0.965 831 HB THR 102 HB THR 102 3.272 7.043 -1.697 832 HG1 THR 102 HG1 THR 102 1.575 8.528 -1.623 833 1HG2 THR 102 HG21 THR 102 2.888 5.816 0.323 834 2HG2 THR 102 HG22 THR 102 4.410 6.708 0.551 835 3HG2 THR 102 HG23 THR 102 2.928 7.278 1.324 836 H ASN 103 HN ASN 103 4.703 11.327 -1.105 837 HA ASN 103 HA ASN 103 3.530 11.836 -3.731 838 1HB ASN 103 HB2 ASN 103 1.514 11.767 -2.248 839 2HB ASN 103 HB3 ASN 103 2.241 12.985 -1.232 840 1HD2 ASN 103 HD21 ASN 103 1.047 14.848 -1.616 841 2HD2 ASN 103 HD22 ASN 103 0.643 15.413 -3.232 842 H GLU 104 HN GLU 104 4.067 13.793 -0.683 843 HA GLU 104 HA GLU 104 6.273 15.224 -1.173 844 1HB GLU 104 HB2 GLU 104 5.476 16.090 -3.197 845 2HB GLU 104 HB3 GLU 104 3.826 16.300 -2.607 846 1HG GLU 104 HG2 GLU 104 6.161 17.847 -1.474 847 2HG GLU 104 HG3 GLU 104 5.307 18.384 -2.936 848 HHA HES 105 HGM HES 105 1.840 -4.257 -2.214 849 HHB HES 105 HDM HES 105 -0.658 0.711 0.849 850 HHC HES 105 HAM HES 105 -0.395 -2.660 6.278 851 HHD HES 105 HBM HES 105 3.054 -7.121 3.347 852 1HMA HES 105 HM81 HES 105 0.056 0.584 -2.902 853 2HMA HES 105 HM82 HES 105 -0.071 1.361 -1.322 854 3HMA HES 105 HM83 HES 105 -1.439 0.415 -1.958 855 1HAA HES 105 HP71 HES 105 0.170 -3.177 -3.506 856 2HAA HES 105 HP72 HES 105 -0.207 -1.502 -3.822 857 1HBA HES 105 HP73 HES 105 2.609 -2.656 -3.738 858 2HBA HES 105 HP74 HES 105 2.180 -0.972 -4.089 859 1HMB HES 105 HM11 HES 105 -0.499 2.170 2.593 860 2HMB HES 105 HM12 HES 105 -0.932 2.244 4.288 861 3HMB HES 105 HM13 HES 105 -2.177 1.838 3.081 862 HAB HES 105 HT2A HES 105 -1.392 -0.864 6.718 863 1HBB HES 105 HT21 HES 105 -2.749 1.493 5.388 864 2HBB HES 105 HT22 HES 105 -3.148 0.749 6.928 865 3HBB HES 105 HT23 HES 105 -3.440 -0.131 5.409 866 1HMC HES 105 HM31 HES 105 0.941 -5.671 8.036 867 2HMC HES 105 HM32 HES 105 -0.366 -4.561 7.651 868 3HMC HES 105 HM33 HES 105 1.289 -3.956 7.869 869 HAC HES 105 HT4A HES 105 3.125 -7.527 5.395 870 1HBC HES 105 HT41 HES 105 0.855 -7.741 7.407 871 2HBC HES 105 HT42 HES 105 2.140 -8.913 7.104 872 3HBC HES 105 HT43 HES 105 0.942 -8.562 5.847 873 1HMD HES 105 HM51 HES 105 3.901 -8.361 1.842 874 2HMD HES 105 HM52 HES 105 4.958 -7.722 0.574 875 3HMD HES 105 HM53 HES 105 3.519 -8.684 0.156 876 1HAD HES 105 HP61 HES 105 2.720 -7.843 -1.778 877 2HAD HES 105 HP62 HES 105 2.287 -6.386 -2.616 878 1HBD HES 105 HP63 HES 105 4.504 -5.764 -2.991 879 2HBD HES 105 HP64 HES 105 5.101 -6.642 -1.581
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