NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | position | program | type |
3243 | 1dcz | 4666 | cing | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 47 HT1 ALA 47 18.322 10.675 -6.584 2 2H ALA 47 HT2 ALA 47 16.883 10.140 -5.857 3 3H ALA 47 HT3 ALA 47 17.842 9.057 -6.747 4 HA ALA 47 HA ALA 47 19.462 8.917 -5.137 5 1HB ALA 47 HB1 ALA 47 19.778 10.500 -3.353 6 2HB ALA 47 HB2 ALA 47 18.254 11.308 -3.723 7 3HB ALA 47 HB3 ALA 47 19.611 11.428 -4.843 8 H GLY 48 HN GLY 48 16.813 7.863 -5.509 9 1HA GLY 48 HA2 GLY 48 16.434 6.688 -2.899 10 2HA GLY 48 HA1 GLY 48 15.100 7.727 -3.392 11 H ALA 49 HN ALA 49 15.763 4.651 -3.147 12 HA ALA 49 HA ALA 49 15.186 3.633 -5.776 13 1HB ALA 49 HB1 ALA 49 16.435 2.396 -3.924 14 2HB ALA 49 HB2 ALA 49 15.196 1.476 -4.778 15 3HB ALA 49 HB3 ALA 49 14.859 2.134 -3.177 16 H GLY 50 HN GLY 50 13.348 4.396 -2.882 17 1HA GLY 50 HA2 GLY 50 10.919 4.848 -4.139 18 2HA GLY 50 HA1 GLY 50 10.910 3.146 -3.683 19 H LYS 51 HN LYS 51 9.869 6.047 -2.703 20 HA LYS 51 HA LYS 51 9.622 5.176 0.069 21 1HB LYS 51 HB2 LYS 51 10.367 7.417 0.923 22 2HB LYS 51 HB1 LYS 51 11.668 6.443 0.236 23 1HG LYS 51 HG2 LYS 51 11.669 7.701 -1.795 24 2HG LYS 51 HG1 LYS 51 10.146 8.492 -1.386 25 1HD LYS 51 HD2 LYS 51 11.960 10.053 -0.966 26 2HD LYS 51 HD1 LYS 51 11.287 9.545 0.584 27 1HE LYS 51 HE2 LYS 51 13.093 8.039 0.983 28 2HE LYS 51 HE1 LYS 51 13.661 8.169 -0.676 29 1HZ LYS 51 HZ1 LYS 51 15.079 9.472 0.666 30 2HZ LYS 51 HZ2 LYS 51 13.776 10.238 1.441 31 3HZ LYS 51 HZ3 LYS 51 14.104 10.560 -0.195 32 H ALA 52 HN ALA 52 8.197 6.720 1.307 33 HA ALA 52 HA ALA 52 6.323 8.180 -0.438 34 1HB ALA 52 HB1 ALA 52 5.710 5.673 0.485 35 2HB ALA 52 HB2 ALA 52 4.521 6.910 0.079 36 3HB ALA 52 HB3 ALA 52 5.031 6.693 1.753 37 H GLY 53 HN GLY 53 4.594 9.250 1.127 38 1HA GLY 53 HA2 GLY 53 4.956 9.944 3.723 39 2HA GLY 53 HA1 GLY 53 6.129 10.961 2.891 40 H GLU 54 HN GLU 54 4.997 11.863 0.707 41 HA GLU 54 HA GLU 54 2.678 13.379 1.700 42 1HB GLU 54 HB2 GLU 54 4.830 13.907 -0.297 43 2HB GLU 54 HB1 GLU 54 3.259 14.668 -0.553 44 1HG GLU 54 HG2 GLU 54 3.396 15.412 1.899 45 2HG GLU 54 HG1 GLU 54 5.096 14.948 1.829 46 H GLY 55 HN GLY 55 0.924 12.106 1.304 47 1HA GLY 55 HA2 GLY 55 -0.899 11.626 -0.110 48 2HA GLY 55 HA1 GLY 55 0.165 11.795 -1.504 49 H GLU 56 HN GLU 56 2.152 10.095 -1.149 50 HA GLU 56 HA GLU 56 0.881 7.513 -1.450 51 1HB GLU 56 HB2 GLU 56 3.828 8.196 -1.478 52 2HB GLU 56 HB1 GLU 56 3.082 6.718 -2.085 53 1HG GLU 56 HG2 GLU 56 1.978 7.885 -3.853 54 2HG GLU 56 HG1 GLU 56 2.345 9.455 -3.137 55 H ILE 57 HN ILE 57 0.755 5.932 0.015 56 HA ILE 57 HA ILE 57 1.687 6.430 2.710 57 HB ILE 57 HB ILE 57 0.344 3.951 1.608 58 1HG1 ILE 57 HG12 ILE 57 -0.945 6.314 3.004 59 2HG1 ILE 57 HG11 ILE 57 -0.928 6.122 1.250 60 1HG2 ILE 57 HG21 ILE 57 1.529 3.847 3.855 61 2HG2 ILE 57 HG22 ILE 57 -0.194 3.476 3.899 62 3HG2 ILE 57 HG23 ILE 57 0.381 5.058 4.426 63 1HD1 ILE 57 HD11 ILE 57 -1.893 3.858 2.970 64 2HD1 ILE 57 HD12 ILE 57 -2.319 4.250 1.304 65 3HD1 ILE 57 HD13 ILE 57 -2.972 5.212 2.631 66 HA PRO 58 HA PRO 58 5.491 4.210 1.974 67 1HB PRO 58 HB2 PRO 58 6.433 4.176 4.534 68 2HB PRO 58 HB1 PRO 58 6.498 5.612 3.494 69 1HG PRO 58 HG2 PRO 58 4.621 4.954 5.694 70 2HG PRO 58 HG1 PRO 58 5.308 6.515 5.219 71 1HD PRO 58 HD2 PRO 58 2.764 5.694 4.609 72 2HD PRO 58 HD1 PRO 58 3.676 6.907 3.686 73 H ALA 59 HN ALA 59 6.068 2.087 1.981 74 HA ALA 59 HA ALA 59 4.257 0.162 3.127 75 1HB ALA 59 HB1 ALA 59 6.640 0.077 1.347 76 2HB ALA 59 HB2 ALA 59 5.068 -0.701 1.164 77 3HB ALA 59 HB3 ALA 59 6.268 -1.385 2.262 78 HA PRO 60 HA PRO 60 6.362 -0.480 6.945 79 1HB PRO 60 HB2 PRO 60 5.623 -3.049 7.508 80 2HB PRO 60 HB1 PRO 60 4.523 -1.664 7.656 81 1HG PRO 60 HG2 PRO 60 4.735 -3.691 5.494 82 2HG PRO 60 HG1 PRO 60 3.298 -2.923 6.189 83 1HD PRO 60 HD2 PRO 60 4.404 -2.192 3.805 84 2HD PRO 60 HD1 PRO 60 3.462 -1.095 4.836 85 H LEU 61 HN LEU 61 6.797 -2.798 4.343 86 HA LEU 61 HA LEU 61 9.623 -2.990 4.847 87 1HB LEU 61 HB2 LEU 61 9.561 -5.505 5.063 88 2HB LEU 61 HB1 LEU 61 9.096 -4.591 6.480 89 HG LEU 61 HG LEU 61 6.656 -4.979 5.454 90 1HD1 LEU 61 HD11 LEU 61 8.057 -6.324 3.587 91 2HD1 LEU 61 HD12 LEU 61 6.433 -6.805 4.078 92 3HD1 LEU 61 HD13 LEU 61 7.839 -7.623 4.760 93 1HD2 LEU 61 HD21 LEU 61 8.101 -7.222 6.886 94 2HD2 LEU 61 HD22 LEU 61 6.409 -6.748 7.045 95 3HD2 LEU 61 HD23 LEU 61 7.680 -5.708 7.686 96 H ALA 62 HN ALA 62 10.722 -4.283 3.217 97 HA ALA 62 HA ALA 62 9.454 -4.008 0.640 98 1HB ALA 62 HB1 ALA 62 11.985 -3.731 1.288 99 2HB ALA 62 HB2 ALA 62 11.549 -4.412 -0.280 100 3HB ALA 62 HB3 ALA 62 12.037 -5.476 1.039 101 H GLY 63 HN GLY 63 7.762 -5.442 0.499 102 1HA GLY 63 HA2 GLY 63 8.505 -8.311 0.522 103 2HA GLY 63 HA1 GLY 63 6.949 -7.738 1.118 104 H THR 64 HN THR 64 5.623 -8.750 -0.327 105 HA THR 64 HA THR 64 5.762 -7.765 -3.103 106 HB THR 64 HB THR 64 5.120 -10.640 -2.423 107 HG1 THR 64 HG1 THR 64 7.215 -10.672 -2.116 108 1HG2 THR 64 HG21 THR 64 5.373 -8.996 -4.918 109 2HG2 THR 64 HG22 THR 64 4.156 -10.200 -4.493 110 3HG2 THR 64 HG23 THR 64 5.773 -10.713 -4.975 111 H VAL 65 HN VAL 65 3.815 -7.315 -4.018 112 HA VAL 65 HA VAL 65 1.552 -7.027 -2.291 113 HB VAL 65 HB VAL 65 1.602 -6.820 -5.311 114 1HG1 VAL 65 HG11 VAL 65 -0.319 -6.143 -3.138 115 2HG1 VAL 65 HG12 VAL 65 -0.631 -6.635 -4.803 116 3HG1 VAL 65 HG13 VAL 65 -0.160 -4.973 -4.449 117 1HG2 VAL 65 HG21 VAL 65 3.184 -5.221 -4.821 118 2HG2 VAL 65 HG22 VAL 65 2.638 -5.043 -3.153 119 3HG2 VAL 65 HG23 VAL 65 1.745 -4.266 -4.461 120 H SER 66 HN SER 66 -0.009 -8.436 -1.858 121 HA SER 66 HA SER 66 -0.116 -10.936 -3.408 122 1HB SER 66 HB2 SER 66 -0.003 -10.686 -0.756 123 2HB SER 66 HB1 SER 66 -1.748 -10.544 -0.944 124 HG SER 66 HG SER 66 -1.677 -12.511 -2.130 125 H LYS 67 HN LYS 67 -2.342 -8.557 -1.954 126 HA LYS 67 HA LYS 67 -4.060 -8.717 -4.304 127 1HB LYS 67 HB2 LYS 67 -4.844 -10.559 -2.795 128 2HB LYS 67 HB1 LYS 67 -5.177 -9.344 -1.561 129 1HG LYS 67 HG2 LYS 67 -6.991 -8.494 -2.687 130 2HG LYS 67 HG1 LYS 67 -6.307 -8.852 -4.273 131 1HD LYS 67 HD2 LYS 67 -7.116 -11.005 -4.293 132 2HD LYS 67 HD1 LYS 67 -6.994 -11.178 -2.542 133 1HE LYS 67 HE2 LYS 67 -8.913 -9.554 -2.335 134 2HE LYS 67 HE1 LYS 67 -9.097 -9.641 -4.082 135 1HZ LYS 67 HZ1 LYS 67 -9.169 -12.187 -3.593 136 2HZ LYS 67 HZ2 LYS 67 -10.560 -11.230 -3.408 137 3HZ LYS 67 HZ3 LYS 67 -9.646 -11.677 -2.048 138 H ILE 68 HN ILE 68 -5.445 -6.960 -4.520 139 HA ILE 68 HA ILE 68 -4.792 -4.680 -2.772 140 HB ILE 68 HB ILE 68 -6.221 -4.656 -5.442 141 1HG1 ILE 68 HG12 ILE 68 -3.346 -3.870 -4.967 142 2HG1 ILE 68 HG11 ILE 68 -3.773 -5.534 -5.365 143 1HG2 ILE 68 HG21 ILE 68 -4.696 -2.362 -4.270 144 2HG2 ILE 68 HG22 ILE 68 -6.294 -2.722 -3.615 145 3HG2 ILE 68 HG23 ILE 68 -6.108 -2.345 -5.328 146 1HD1 ILE 68 HD11 ILE 68 -3.225 -3.751 -7.272 147 2HD1 ILE 68 HD12 ILE 68 -4.931 -3.360 -7.055 148 3HD1 ILE 68 HD13 ILE 68 -4.452 -4.996 -7.505 149 H LEU 69 HN LEU 69 -6.265 -3.798 -1.452 150 HA LEU 69 HA LEU 69 -8.971 -4.955 -1.456 151 1HB LEU 69 HB2 LEU 69 -7.312 -3.547 0.601 152 2HB LEU 69 HB1 LEU 69 -9.051 -3.627 0.776 153 HG LEU 69 HG LEU 69 -7.491 -6.153 0.343 154 1HD1 LEU 69 HD11 LEU 69 -6.770 -6.277 2.536 155 2HD1 LEU 69 HD12 LEU 69 -8.033 -5.196 3.123 156 3HD1 LEU 69 HD13 LEU 69 -6.628 -4.538 2.284 157 1HD2 LEU 69 HD21 LEU 69 -9.347 -7.107 1.594 158 2HD2 LEU 69 HD22 LEU 69 -10.003 -6.083 0.318 159 3HD2 LEU 69 HD23 LEU 69 -9.960 -5.500 1.982 160 H VAL 70 HN VAL 70 -7.238 -1.904 -1.707 161 HA VAL 70 HA VAL 70 -9.812 -0.514 -2.134 162 HB VAL 70 HB VAL 70 -8.546 1.574 -1.713 163 1HG1 VAL 70 HG11 VAL 70 -7.958 0.938 0.751 164 2HG1 VAL 70 HG12 VAL 70 -8.596 -0.648 0.318 165 3HG1 VAL 70 HG13 VAL 70 -9.629 0.777 0.210 166 1HG2 VAL 70 HG21 VAL 70 -6.262 -0.142 -0.751 167 2HG2 VAL 70 HG22 VAL 70 -6.265 1.579 -1.135 168 3HG2 VAL 70 HG23 VAL 70 -6.327 0.386 -2.432 169 H LYS 71 HN LYS 71 -10.110 0.789 -3.921 170 HA LYS 71 HA LYS 71 -8.042 0.692 -6.021 171 1HB LYS 71 HB2 LYS 71 -9.860 0.300 -7.702 172 2HB LYS 71 HB1 LYS 71 -9.590 -1.067 -6.621 173 1HG LYS 71 HG2 LYS 71 -11.515 -0.533 -5.309 174 2HG LYS 71 HG1 LYS 71 -11.682 1.047 -6.074 175 1HD LYS 71 HD2 LYS 71 -12.658 0.185 -7.962 176 2HD LYS 71 HD1 LYS 71 -11.727 -1.312 -7.885 177 1HE LYS 71 HE2 LYS 71 -13.114 -1.948 -5.865 178 2HE LYS 71 HE1 LYS 71 -14.136 -0.561 -6.216 179 1HZ LYS 71 HZ1 LYS 71 -13.594 -2.497 -8.350 180 2HZ LYS 71 HZ2 LYS 71 -14.962 -1.523 -8.095 181 3HZ LYS 71 HZ3 LYS 71 -14.711 -2.907 -7.142 182 H GLU 72 HN GLU 72 -8.405 2.308 -7.725 183 HA GLU 72 HA GLU 72 -8.860 4.877 -6.680 184 1HB GLU 72 HB2 GLU 72 -8.894 3.945 -9.561 185 2HB GLU 72 HB1 GLU 72 -8.833 5.632 -9.047 186 1HG GLU 72 HG2 GLU 72 -6.695 5.342 -8.020 187 2HG GLU 72 HG1 GLU 72 -6.797 3.586 -8.145 188 H GLY 73 HN GLY 73 -10.798 5.314 -5.779 189 1HA GLY 73 HA2 GLY 73 -12.934 6.366 -6.825 190 2HA GLY 73 HA1 GLY 73 -13.250 4.697 -7.292 191 H ASP 74 HN ASP 74 -12.018 3.627 -4.837 192 HA ASP 74 HA ASP 74 -14.347 3.956 -3.097 193 1HB ASP 74 HB2 ASP 74 -12.044 2.003 -3.126 194 2HB ASP 74 HB1 ASP 74 -13.214 2.073 -1.808 195 H THR 75 HN THR 75 -14.204 4.507 -0.906 196 HA THR 75 HA THR 75 -11.896 6.214 -0.265 197 HB THR 75 HB THR 75 -14.343 6.036 1.455 198 HG1 THR 75 HG1 THR 75 -15.456 7.300 0.081 199 1HG2 THR 75 HG21 THR 75 -12.311 8.139 0.697 200 2HG2 THR 75 HG22 THR 75 -12.627 7.455 2.292 201 3HG2 THR 75 HG23 THR 75 -13.803 8.538 1.548 202 H VAL 76 HN VAL 76 -10.787 6.035 1.702 203 HA VAL 76 HA VAL 76 -11.160 3.461 3.118 204 HB VAL 76 HB VAL 76 -8.690 3.471 3.491 205 1HG1 VAL 76 HG11 VAL 76 -8.129 2.922 1.068 206 2HG1 VAL 76 HG12 VAL 76 -9.763 3.445 0.660 207 3HG1 VAL 76 HG13 VAL 76 -9.520 2.066 1.734 208 1HG2 VAL 76 HG21 VAL 76 -8.293 5.872 3.178 209 2HG2 VAL 76 HG22 VAL 76 -8.816 5.758 1.498 210 3HG2 VAL 76 HG23 VAL 76 -7.335 4.953 2.017 211 H LYS 77 HN LYS 77 -10.070 3.497 5.310 212 HA LYS 77 HA LYS 77 -10.334 6.158 6.573 213 1HB LYS 77 HB2 LYS 77 -11.623 3.566 7.318 214 2HB LYS 77 HB1 LYS 77 -11.124 4.659 8.609 215 1HG LYS 77 HG2 LYS 77 -12.351 6.502 7.318 216 2HG LYS 77 HG1 LYS 77 -13.064 5.206 6.357 217 1HD LYS 77 HD2 LYS 77 -14.099 4.226 8.288 218 2HD LYS 77 HD1 LYS 77 -13.192 5.272 9.380 219 1HE LYS 77 HE2 LYS 77 -14.514 7.102 8.953 220 2HE LYS 77 HE1 LYS 77 -14.860 6.601 7.303 221 1HZ LYS 77 HZ1 LYS 77 -16.203 5.877 9.792 222 2HZ LYS 77 HZ2 LYS 77 -16.120 4.694 8.576 223 3HZ LYS 77 HZ3 LYS 77 -16.855 6.192 8.259 224 H ALA 78 HN ALA 78 -9.000 6.545 8.355 225 HA ALA 78 HA ALA 78 -6.422 5.422 8.262 226 1HB ALA 78 HB1 ALA 78 -5.873 6.902 9.938 227 2HB ALA 78 HB2 ALA 78 -7.387 6.648 10.806 228 3HB ALA 78 HB3 ALA 78 -7.358 7.656 9.359 229 H GLY 79 HN GLY 79 -6.320 3.232 8.498 230 1HA GLY 79 HA2 GLY 79 -5.736 1.769 10.501 231 2HA GLY 79 HA1 GLY 79 -7.396 2.079 11.002 232 H GLN 80 HN GLN 80 -8.538 1.991 8.370 233 HA GLN 80 HA GLN 80 -9.091 -0.775 8.161 234 1HB GLN 80 HB2 GLN 80 -10.547 1.170 7.368 235 2HB GLN 80 HB1 GLN 80 -9.510 1.227 5.943 236 1HG GLN 80 HG2 GLN 80 -10.030 -1.124 5.450 237 2HG GLN 80 HG1 GLN 80 -11.042 -1.212 6.892 238 1HE2 GLN 80 HE21 GLN 80 -11.222 -0.749 3.585 239 2HE2 GLN 80 HE22 GLN 80 -12.681 0.115 3.514 240 H THR 81 HN THR 81 -8.390 -2.338 6.760 241 HA THR 81 HA THR 81 -5.726 -2.149 5.787 242 HB THR 81 HB THR 81 -7.773 -4.204 4.940 243 HG1 THR 81 HG1 THR 81 -7.850 -4.649 6.982 244 1HG2 THR 81 HG21 THR 81 -5.415 -3.995 3.889 245 2HG2 THR 81 HG22 THR 81 -5.914 -5.579 4.484 246 3HG2 THR 81 HG23 THR 81 -4.826 -4.578 5.446 247 H VAL 82 HN VAL 82 -4.928 -1.754 3.791 248 HA VAL 82 HA VAL 82 -6.880 -0.951 1.719 249 HB VAL 82 HB VAL 82 -5.182 0.581 0.853 250 1HG1 VAL 82 HG11 VAL 82 -5.199 1.129 3.797 251 2HG1 VAL 82 HG12 VAL 82 -6.743 1.033 2.949 252 3HG1 VAL 82 HG13 VAL 82 -5.537 2.220 2.453 253 1HG2 VAL 82 HG21 VAL 82 -3.035 -0.078 1.276 254 2HG2 VAL 82 HG22 VAL 82 -3.478 -0.906 2.767 255 3HG2 VAL 82 HG23 VAL 82 -3.235 0.840 2.768 256 H LEU 83 HN LEU 83 -3.986 -2.806 2.405 257 HA LEU 83 HA LEU 83 -4.401 -4.418 0.049 258 1HB LEU 83 HB2 LEU 83 -3.215 -2.587 -0.982 259 2HB LEU 83 HB1 LEU 83 -1.984 -2.627 0.259 260 HG LEU 83 HG LEU 83 -2.356 -5.112 -1.338 261 1HD1 LEU 83 HD11 LEU 83 -0.563 -3.779 -2.896 262 2HD1 LEU 83 HD12 LEU 83 -1.665 -2.466 -2.479 263 3HD1 LEU 83 HD13 LEU 83 -2.279 -3.912 -3.280 264 1HD2 LEU 83 HD21 LEU 83 0.164 -5.008 -1.179 265 2HD2 LEU 83 HD22 LEU 83 -0.654 -5.050 0.383 266 3HD2 LEU 83 HD23 LEU 83 -0.015 -3.528 -0.237 267 H VAL 84 HN VAL 84 -3.222 -6.347 0.083 268 HA VAL 84 HA VAL 84 -2.026 -6.970 2.706 269 HB VAL 84 HB VAL 84 -2.898 -8.896 0.539 270 1HG1 VAL 84 HG11 VAL 84 -1.199 -9.524 2.411 271 2HG1 VAL 84 HG12 VAL 84 -2.581 -10.587 2.143 272 3HG1 VAL 84 HG13 VAL 84 -2.595 -9.444 3.486 273 1HG2 VAL 84 HG21 VAL 84 -4.369 -7.665 2.870 274 2HG2 VAL 84 HG22 VAL 84 -4.820 -9.253 2.250 275 3HG2 VAL 84 HG23 VAL 84 -4.907 -7.839 1.200 276 H LEU 85 HN LEU 85 0.049 -7.646 2.909 277 HA LEU 85 HA LEU 85 1.667 -7.726 0.430 278 1HB LEU 85 HB2 LEU 85 2.216 -6.651 3.160 279 2HB LEU 85 HB1 LEU 85 3.550 -7.269 2.211 280 HG LEU 85 HG LEU 85 1.694 -5.012 1.418 281 1HD1 LEU 85 HD11 LEU 85 4.640 -4.707 1.766 282 2HD1 LEU 85 HD12 LEU 85 3.669 -4.857 3.230 283 3HD1 LEU 85 HD13 LEU 85 3.345 -3.554 2.087 284 1HD2 LEU 85 HD21 LEU 85 3.843 -6.541 -0.012 285 2HD2 LEU 85 HD22 LEU 85 3.669 -4.817 -0.338 286 3HD2 LEU 85 HD23 LEU 85 2.319 -5.911 -0.636 287 H GLU 86 HN GLU 86 3.587 -9.115 0.525 288 HA GLU 86 HA GLU 86 3.325 -11.397 2.375 289 1HB GLU 86 HB2 GLU 86 3.204 -11.442 -0.607 290 2HB GLU 86 HB1 GLU 86 4.061 -12.751 0.208 291 1HG GLU 86 HG2 GLU 86 1.905 -12.778 1.743 292 2HG GLU 86 HG1 GLU 86 1.158 -12.020 0.337 293 H ALA 87 HN ALA 87 5.175 -11.446 3.459 294 HA ALA 87 HA ALA 87 7.697 -11.482 1.982 295 1HB ALA 87 HB1 ALA 87 8.699 -9.668 3.014 296 2HB ALA 87 HB2 ALA 87 7.592 -9.703 4.386 297 3HB ALA 87 HB3 ALA 87 7.050 -9.070 2.832 298 H MET 88 HN MET 88 9.200 -12.772 2.912 299 HA MET 88 HA MET 88 10.101 -14.350 4.321 300 1HB MET 88 HB2 MET 88 8.634 -12.770 6.449 301 2HB MET 88 HB1 MET 88 9.893 -13.969 6.744 302 1HG MET 88 HG2 MET 88 11.338 -12.522 5.138 303 2HG MET 88 HG1 MET 88 10.143 -11.263 5.444 304 1HE MET 88 HE1 MET 88 13.314 -10.961 6.234 305 2HE MET 88 HE2 MET 88 12.944 -9.965 7.639 306 3HE MET 88 HE3 MET 88 11.970 -9.813 6.180 307 H LYS 89 HN LYS 89 7.523 -14.810 3.050 308 HA LYS 89 HA LYS 89 5.857 -16.396 3.034 309 1HB LYS 89 HB2 LYS 89 7.502 -17.590 5.279 310 2HB LYS 89 HB1 LYS 89 6.190 -18.409 4.431 311 1HG LYS 89 HG2 LYS 89 7.463 -17.988 2.276 312 2HG LYS 89 HG1 LYS 89 8.821 -17.462 3.271 313 1HD LYS 89 HD2 LYS 89 8.972 -19.623 4.335 314 2HD LYS 89 HD1 LYS 89 7.475 -20.159 3.572 315 1HE LYS 89 HE2 LYS 89 8.469 -20.191 1.411 316 2HE LYS 89 HE1 LYS 89 9.873 -19.285 1.961 317 1HZ LYS 89 HZ1 LYS 89 10.767 -21.114 2.982 318 2HZ LYS 89 HZ2 LYS 89 10.018 -21.832 1.636 319 3HZ LYS 89 HZ3 LYS 89 9.274 -21.898 3.162 320 H MET 90 HN MET 90 5.561 -13.997 4.633 321 HA MET 90 HA MET 90 3.475 -14.978 6.470 322 1HB MET 90 HB2 MET 90 5.765 -14.184 7.562 323 2HB MET 90 HB1 MET 90 5.056 -12.589 7.305 324 1HG MET 90 HG2 MET 90 2.964 -13.445 8.450 325 2HG MET 90 HG1 MET 90 3.879 -14.889 8.884 326 1HE MET 90 HE1 MET 90 5.598 -14.182 11.904 327 2HE MET 90 HE2 MET 90 5.144 -15.250 10.579 328 3HE MET 90 HE3 MET 90 3.899 -14.596 11.639 329 H GLU 91 HN GLU 91 1.601 -14.089 5.951 330 HA GLU 91 HA GLU 91 1.405 -11.908 4.098 331 1HB GLU 91 HB2 GLU 91 -0.592 -13.491 5.699 332 2HB GLU 91 HB1 GLU 91 -1.086 -12.062 4.791 333 1HG GLU 91 HG2 GLU 91 -0.278 -13.018 2.720 334 2HG GLU 91 HG1 GLU 91 0.435 -14.385 3.578 335 H THR 92 HN THR 92 1.404 -9.806 4.513 336 HA THR 92 HA THR 92 0.849 -8.916 7.283 337 HB THR 92 HB THR 92 2.574 -7.369 5.366 338 HG1 THR 92 HG1 THR 92 3.381 -9.397 7.176 339 1HG2 THR 92 HG21 THR 92 2.831 -7.548 8.353 340 2HG2 THR 92 HG22 THR 92 1.570 -6.543 7.640 341 3HG2 THR 92 HG23 THR 92 3.265 -6.219 7.279 342 H GLU 93 HN GLU 93 -0.805 -7.569 7.521 343 HA GLU 93 HA GLU 93 -2.215 -6.597 5.168 344 1HB GLU 93 HB2 GLU 93 -2.847 -6.287 8.114 345 2HB GLU 93 HB1 GLU 93 -3.910 -5.828 6.783 346 1HG GLU 93 HG2 GLU 93 -4.087 -8.120 6.042 347 2HG GLU 93 HG1 GLU 93 -2.849 -8.637 7.187 348 H ILE 94 HN ILE 94 -2.439 -4.497 4.549 349 HA ILE 94 HA ILE 94 -0.682 -2.546 5.909 350 HB ILE 94 HB ILE 94 -1.747 -2.417 3.079 351 1HG1 ILE 94 HG12 ILE 94 -0.262 -4.370 3.355 352 2HG1 ILE 94 HG11 ILE 94 0.524 -3.120 2.394 353 1HG2 ILE 94 HG21 ILE 94 0.450 -0.899 4.520 354 2HG2 ILE 94 HG22 ILE 94 -1.128 -0.251 4.071 355 3HG2 ILE 94 HG23 ILE 94 0.025 -0.712 2.818 356 1HD1 ILE 94 HD11 ILE 94 2.260 -3.326 3.835 357 2HD1 ILE 94 HD12 ILE 94 1.287 -4.218 5.004 358 3HD1 ILE 94 HD13 ILE 94 1.250 -2.455 4.989 359 H ASN 95 HN ASN 95 -1.695 -1.092 7.106 360 HA ASN 95 HA ASN 95 -4.510 -0.448 6.505 361 1HB ASN 95 HB2 ASN 95 -2.869 0.000 9.010 362 2HB ASN 95 HB1 ASN 95 -4.550 0.495 8.805 363 1HD2 ASN 95 HD21 ASN 95 -3.121 -1.707 10.519 364 2HD2 ASN 95 HD22 ASN 95 -4.067 -3.086 10.226 365 H ALA 96 HN ALA 96 -5.165 1.601 6.066 366 HA ALA 96 HA ALA 96 -3.332 3.430 4.954 367 1HB ALA 96 HB1 ALA 96 -5.399 5.046 5.344 368 2HB ALA 96 HB2 ALA 96 -6.225 3.528 5.695 369 3HB ALA 96 HB3 ALA 96 -5.459 3.773 4.125 370 HA PRO 97 HA PRO 97 -1.863 5.509 8.565 371 1HB PRO 97 HB2 PRO 97 -1.009 7.853 7.455 372 2HB PRO 97 HB1 PRO 97 -0.136 6.318 7.280 373 1HG PRO 97 HG2 PRO 97 -1.928 7.706 5.361 374 2HG PRO 97 HG1 PRO 97 -0.444 6.786 5.063 375 1HD PRO 97 HD2 PRO 97 -2.959 5.800 4.650 376 2HD PRO 97 HD1 PRO 97 -1.540 4.791 5.001 377 H THR 98 HN THR 98 -3.975 7.306 6.364 378 HA THR 98 HA THR 98 -5.434 8.392 8.660 379 HB THR 98 HB THR 98 -5.453 10.664 7.455 380 HG1 THR 98 HG1 THR 98 -4.491 10.058 5.545 381 1HG2 THR 98 HG21 THR 98 -2.747 9.887 8.533 382 2HG2 THR 98 HG22 THR 98 -4.164 9.952 9.582 383 3HG2 THR 98 HG23 THR 98 -3.620 11.405 8.744 384 H ASP 99 HN ASP 99 -7.476 9.448 7.966 385 HA ASP 99 HA ASP 99 -8.888 7.783 6.143 386 1HB ASP 99 HB2 ASP 99 -10.751 9.429 6.470 387 2HB ASP 99 HB1 ASP 99 -10.088 8.795 7.977 388 H GLY 100 HN GLY 100 -9.598 8.143 4.083 389 1HA GLY 100 HA2 GLY 100 -9.614 10.526 2.649 390 2HA GLY 100 HA1 GLY 100 -8.019 9.819 2.406 391 H LYS 101 HN LYS 101 -8.662 9.684 0.145 392 HA LYS 101 HA LYS 101 -10.153 7.192 -0.385 393 1HB LYS 101 HB2 LYS 101 -11.565 9.242 -0.862 394 2HB LYS 101 HB1 LYS 101 -10.395 9.658 -2.115 395 1HG LYS 101 HG2 LYS 101 -10.775 7.294 -3.037 396 2HG LYS 101 HG1 LYS 101 -12.176 7.221 -1.968 397 1HD LYS 101 HD2 LYS 101 -11.717 9.415 -4.008 398 2HD LYS 101 HD1 LYS 101 -12.727 7.997 -4.294 399 1HE LYS 101 HE2 LYS 101 -14.209 8.605 -2.491 400 2HE LYS 101 HE1 LYS 101 -13.137 9.903 -1.981 401 1HZ LYS 101 HZ1 LYS 101 -14.874 10.891 -3.193 402 2HZ LYS 101 HZ2 LYS 101 -14.764 9.753 -4.450 403 3HZ LYS 101 HZ3 LYS 101 -13.532 10.901 -4.229 404 H VAL 102 HN VAL 102 -9.420 5.987 -2.123 405 HA VAL 102 HA VAL 102 -6.661 6.371 -2.837 406 HB VAL 102 HB VAL 102 -8.644 4.407 -4.013 407 1HG1 VAL 102 HG11 VAL 102 -5.625 4.586 -3.919 408 2HG1 VAL 102 HG12 VAL 102 -6.661 4.478 -5.343 409 3HG1 VAL 102 HG13 VAL 102 -6.473 3.082 -4.281 410 1HG2 VAL 102 HG21 VAL 102 -7.214 4.513 -1.403 411 2HG2 VAL 102 HG22 VAL 102 -7.210 2.960 -2.239 412 3HG2 VAL 102 HG23 VAL 102 -8.739 3.731 -1.818 413 H GLU 103 HN GLU 103 -6.073 7.858 -4.273 414 HA GLU 103 HA GLU 103 -7.884 8.571 -6.466 415 1HB GLU 103 HB2 GLU 103 -6.238 10.400 -6.891 416 2HB GLU 103 HB1 GLU 103 -6.924 10.443 -5.267 417 1HG GLU 103 HG2 GLU 103 -4.952 9.508 -4.300 418 2HG GLU 103 HG1 GLU 103 -4.309 9.054 -5.878 419 H LYS 104 HN LYS 104 -4.835 6.971 -5.858 420 HA LYS 104 HA LYS 104 -4.830 5.851 -8.516 421 1HB LYS 104 HB2 LYS 104 -3.722 8.196 -8.671 422 2HB LYS 104 HB1 LYS 104 -2.375 7.441 -7.818 423 1HG LYS 104 HG2 LYS 104 -2.090 5.801 -9.555 424 2HG LYS 104 HG1 LYS 104 -3.590 6.292 -10.342 425 1HD LYS 104 HD2 LYS 104 -2.668 8.243 -11.194 426 2HD LYS 104 HD1 LYS 104 -1.457 8.351 -9.916 427 1HE LYS 104 HE2 LYS 104 -0.478 6.188 -10.932 428 2HE LYS 104 HE1 LYS 104 -1.471 6.555 -12.337 429 1HZ LYS 104 HZ1 LYS 104 0.896 7.395 -12.345 430 2HZ LYS 104 HZ2 LYS 104 0.402 8.530 -11.181 431 3HZ LYS 104 HZ3 LYS 104 -0.309 8.527 -12.724 432 H VAL 105 HN VAL 105 -4.069 3.849 -8.367 433 HA VAL 105 HA VAL 105 -2.473 3.130 -5.993 434 HB VAL 105 HB VAL 105 -3.914 1.277 -7.903 435 1HG1 VAL 105 HG11 VAL 105 -1.926 0.654 -6.192 436 2HG1 VAL 105 HG12 VAL 105 -3.276 -0.435 -6.509 437 3HG1 VAL 105 HG13 VAL 105 -3.288 0.590 -5.074 438 1HG2 VAL 105 HG21 VAL 105 -4.801 2.724 -5.420 439 2HG2 VAL 105 HG22 VAL 105 -5.452 1.124 -5.774 440 3HG2 VAL 105 HG23 VAL 105 -5.688 2.444 -6.919 441 H LEU 106 HN LEU 106 -0.359 3.182 -6.370 442 HA LEU 106 HA LEU 106 0.744 2.752 -9.011 443 1HB LEU 106 HB2 LEU 106 2.303 2.891 -6.448 444 2HB LEU 106 HB1 LEU 106 2.840 3.285 -8.066 445 HG LEU 106 HG LEU 106 0.640 4.898 -6.826 446 1HD1 LEU 106 HD11 LEU 106 3.610 5.184 -6.276 447 2HD1 LEU 106 HD12 LEU 106 2.355 4.828 -5.089 448 3HD1 LEU 106 HD13 LEU 106 2.397 6.402 -5.883 449 1HD2 LEU 106 HD21 LEU 106 2.957 5.872 -8.479 450 2HD2 LEU 106 HD22 LEU 106 1.319 6.516 -8.376 451 3HD2 LEU 106 HD23 LEU 106 1.624 5.022 -9.261 452 H VAL 107 HN VAL 107 0.361 0.941 -6.037 453 HA VAL 107 HA VAL 107 2.095 -1.219 -6.886 454 HB VAL 107 HB VAL 107 1.278 -2.356 -4.840 455 1HG1 VAL 107 HG11 VAL 107 3.184 -0.853 -4.657 456 2HG1 VAL 107 HG12 VAL 107 2.164 -0.656 -3.232 457 3HG1 VAL 107 HG13 VAL 107 2.112 0.541 -4.525 458 1HG2 VAL 107 HG21 VAL 107 -0.320 -1.313 -3.386 459 2HG2 VAL 107 HG22 VAL 107 -1.038 -1.289 -4.996 460 3HG2 VAL 107 HG23 VAL 107 -0.311 0.173 -4.333 461 H LYS 108 HN LYS 108 1.502 -3.190 -7.675 462 HA LYS 108 HA LYS 108 -1.368 -3.606 -8.258 463 1HB LYS 108 HB2 LYS 108 0.973 -3.678 -10.113 464 2HB LYS 108 HB1 LYS 108 -0.331 -4.839 -10.367 465 1HG LYS 108 HG2 LYS 108 -1.943 -2.871 -10.249 466 2HG LYS 108 HG1 LYS 108 -0.528 -1.820 -10.331 467 1HD LYS 108 HD2 LYS 108 0.082 -2.647 -12.487 468 2HD LYS 108 HD1 LYS 108 -1.052 -3.993 -12.368 469 1HE LYS 108 HE2 LYS 108 -2.909 -2.270 -12.236 470 2HE LYS 108 HE1 LYS 108 -1.708 -1.055 -12.652 471 1HZ LYS 108 HZ1 LYS 108 -1.241 -2.711 -14.601 472 2HZ LYS 108 HZ2 LYS 108 -2.508 -1.582 -14.699 473 3HZ LYS 108 HZ3 LYS 108 -2.836 -3.200 -14.295 474 H GLU 109 HN GLU 109 -1.909 -5.882 -8.686 475 HA GLU 109 HA GLU 109 -0.951 -7.594 -6.663 476 1HB GLU 109 HB2 GLU 109 -2.713 -7.920 -9.050 477 2HB GLU 109 HB1 GLU 109 -2.081 -9.377 -8.280 478 1HG GLU 109 HG2 GLU 109 -3.037 -8.765 -6.157 479 2HG GLU 109 HG1 GLU 109 -3.468 -7.161 -6.752 480 H ARG 110 HN ARG 110 0.408 -9.365 -6.702 481 HA ARG 110 HA ARG 110 2.250 -10.601 -7.306 482 1HB ARG 110 HB2 ARG 110 0.913 -10.142 -9.956 483 2HB ARG 110 HB1 ARG 110 2.489 -10.931 -9.884 484 1HG ARG 110 HG2 ARG 110 0.361 -11.889 -8.017 485 2HG ARG 110 HG1 ARG 110 0.234 -12.342 -9.718 486 1HD ARG 110 HD2 ARG 110 2.814 -12.911 -9.382 487 2HD ARG 110 HD1 ARG 110 2.312 -13.087 -7.704 488 HE ARG 110 HE ARG 110 0.763 -14.827 -8.445 489 1HH1 ARG 110 HH11 ARG 110 1.320 -13.677 -11.403 490 2HH1 ARG 110 HH12 ARG 110 2.031 -15.094 -12.100 491 1HH2 ARG 110 HH21 ARG 110 2.466 -16.695 -9.055 492 2HH2 ARG 110 HH22 ARG 110 2.679 -16.803 -10.770 493 H ASP 111 HN ASP 111 2.479 -7.733 -6.922 494 HA ASP 111 HA ASP 111 4.802 -7.173 -8.671 495 1HB ASP 111 HB2 ASP 111 2.654 -5.632 -8.675 496 2HB ASP 111 HB1 ASP 111 3.383 -4.986 -7.204 497 H ALA 112 HN ALA 112 6.658 -6.316 -7.723 498 HA ALA 112 HA ALA 112 6.955 -6.958 -4.882 499 1HB ALA 112 HB1 ALA 112 9.021 -6.144 -6.942 500 2HB ALA 112 HB2 ALA 112 8.656 -7.797 -6.446 501 3HB ALA 112 HB3 ALA 112 9.364 -6.667 -5.292 502 H VAL 113 HN VAL 113 7.341 -5.499 -3.304 503 HA VAL 113 HA VAL 113 7.492 -2.650 -4.097 504 HB VAL 113 HB VAL 113 6.255 -2.140 -1.995 505 1HG1 VAL 113 HG11 VAL 113 5.227 -2.669 -4.369 506 2HG1 VAL 113 HG12 VAL 113 4.168 -2.466 -2.974 507 3HG1 VAL 113 HG13 VAL 113 4.575 -4.085 -3.543 508 1HG2 VAL 113 HG21 VAL 113 6.946 -4.552 -1.112 509 2HG2 VAL 113 HG22 VAL 113 5.416 -5.014 -1.858 510 3HG2 VAL 113 HG23 VAL 113 5.444 -3.795 -0.583 511 H GLN 114 HN GLN 114 8.158 -1.350 -1.979 512 HA GLN 114 HA GLN 114 10.373 -2.763 -0.637 513 1HB GLN 114 HB2 GLN 114 10.521 -0.215 -2.227 514 2HB GLN 114 HB1 GLN 114 11.640 -0.511 -0.896 515 1HG GLN 114 HG2 GLN 114 12.246 -2.696 -1.958 516 2HG GLN 114 HG1 GLN 114 11.228 -2.266 -3.333 517 1HE2 GLN 114 HE21 GLN 114 12.845 -1.916 -4.924 518 2HE2 GLN 114 HE22 GLN 114 14.062 -0.743 -4.775 519 H GLY 115 HN GLY 115 10.795 -2.101 1.443 520 1HA GLY 115 HA2 GLY 115 8.701 -0.999 2.955 521 2HA GLY 115 HA1 GLY 115 10.361 -1.186 3.514 522 H GLY 116 HN GLY 116 7.974 1.019 2.948 523 1HA GLY 116 HA2 GLY 116 8.288 3.328 3.546 524 2HA GLY 116 HA1 GLY 116 9.919 3.238 2.887 525 H GLN 117 HN GLN 117 8.970 1.749 0.501 526 HA GLN 117 HA GLN 117 8.637 3.889 -1.279 527 1HB GLN 117 HB2 GLN 117 9.416 1.568 -1.873 528 2HB GLN 117 HB1 GLN 117 7.735 1.045 -1.766 529 1HG GLN 117 HG2 GLN 117 7.130 2.772 -3.465 530 2HG GLN 117 HG1 GLN 117 8.842 3.167 -3.626 531 1HE2 GLN 117 HE21 GLN 117 6.398 0.706 -4.319 532 2HE2 GLN 117 HE22 GLN 117 7.380 -0.233 -5.337 533 H GLY 118 HN GLY 118 6.885 4.782 -2.301 534 1HA GLY 118 HA2 GLY 118 4.454 4.970 -0.888 535 2HA GLY 118 HA1 GLY 118 4.716 5.523 -2.540 536 H LEU 119 HN LEU 119 2.906 3.506 -0.691 537 HA LEU 119 HA LEU 119 2.689 1.316 -2.610 538 1HB LEU 119 HB2 LEU 119 1.270 1.896 -0.016 539 2HB LEU 119 HB1 LEU 119 0.914 0.513 -1.025 540 HG LEU 119 HG LEU 119 3.590 1.076 0.275 541 1HD1 LEU 119 HD11 LEU 119 2.847 -1.070 1.549 542 2HD1 LEU 119 HD12 LEU 119 1.221 -0.625 1.032 543 3HD1 LEU 119 HD13 LEU 119 2.157 0.476 2.043 544 1HD2 LEU 119 HD21 LEU 119 3.987 -1.333 -0.396 545 2HD2 LEU 119 HD22 LEU 119 3.880 -0.209 -1.751 546 3HD2 LEU 119 HD23 LEU 119 2.508 -1.243 -1.352 547 H ILE 120 HN ILE 120 0.440 3.654 -1.117 548 HA ILE 120 HA ILE 120 -0.961 3.873 -3.695 549 HB ILE 120 HB ILE 120 -2.421 3.430 -1.080 550 1HG1 ILE 120 HG12 ILE 120 -2.079 1.518 -3.412 551 2HG1 ILE 120 HG11 ILE 120 -1.181 1.399 -1.898 552 1HG2 ILE 120 HG21 ILE 120 -3.223 3.877 -3.948 553 2HG2 ILE 120 HG22 ILE 120 -3.847 4.651 -2.491 554 3HG2 ILE 120 HG23 ILE 120 -4.281 2.981 -2.858 555 1HD1 ILE 120 HD11 ILE 120 -3.010 0.682 -0.709 556 2HD1 ILE 120 HD12 ILE 120 -3.509 0.104 -2.299 557 3HD1 ILE 120 HD13 ILE 120 -4.140 1.629 -1.677 558 H LYS 121 HN LYS 121 -2.127 5.805 -3.962 559 HA LYS 121 HA LYS 121 -1.194 7.981 -2.223 560 1HB LYS 121 HB2 LYS 121 -1.168 7.881 -4.891 561 2HB LYS 121 HB1 LYS 121 -2.800 8.515 -4.675 562 1HG LYS 121 HG2 LYS 121 -2.001 10.410 -3.448 563 2HG LYS 121 HG1 LYS 121 -0.388 9.713 -3.298 564 1HD LYS 121 HD2 LYS 121 -0.558 9.700 -5.966 565 2HD LYS 121 HD1 LYS 121 -1.672 11.031 -5.648 566 1HE LYS 121 HE2 LYS 121 0.081 12.105 -4.236 567 2HE LYS 121 HE1 LYS 121 1.192 10.817 -4.686 568 1HZ LYS 121 HZ1 LYS 121 1.595 12.665 -6.092 569 2HZ LYS 121 HZ2 LYS 121 -0.052 12.826 -6.477 570 3HZ LYS 121 HZ3 LYS 121 0.828 11.483 -7.035 571 H ILE 122 HN ILE 122 -2.492 8.950 -0.811 572 HA ILE 122 HA ILE 122 -5.381 8.339 -0.927 573 HB ILE 122 HB ILE 122 -3.806 9.381 1.436 574 1HG1 ILE 122 HG12 ILE 122 -2.970 7.154 0.771 575 2HG1 ILE 122 HG11 ILE 122 -3.875 7.055 2.279 576 1HG2 ILE 122 HG21 ILE 122 -5.763 8.746 2.715 577 2HG2 ILE 122 HG22 ILE 122 -6.511 8.023 1.291 578 3HG2 ILE 122 HG23 ILE 122 -6.287 9.770 1.378 579 1HD1 ILE 122 HD11 ILE 122 -4.893 6.332 -0.487 580 2HD1 ILE 122 HD12 ILE 122 -5.892 6.355 0.966 581 3HD1 ILE 122 HD13 ILE 122 -4.553 5.215 0.834 582 H GLY 123 HN GLY 123 -6.899 9.967 -0.752 583 1HA GLY 123 HA2 GLY 123 -6.308 12.693 -0.229 584 2HA GLY 123 HA1 GLY 123 -6.369 12.423 -1.969
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