NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9583 | 1ocd | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H GLY 1 HT3 GLY 1 -12.404 -4.733 -8.946 2 2H GLY 1 HT2 GLY 1 -11.555 -6.023 -8.237 3 3H GLY 1 HT1 GLY 1 -13.247 -5.942 -8.107 4 1HA GLY 1 HA1 GLY 1 -12.517 -5.222 -6.036 5 2HA GLY 1 HA2 GLY 1 -11.210 -4.283 -6.758 6 H ASP 2 HN ASP 2 -11.644 -2.139 -6.552 7 HA ASP 2 HA ASP 2 -14.128 -1.039 -7.611 8 1HB ASP 2 HB2 ASP 2 -13.720 -1.384 -4.687 9 2HB ASP 2 HB1 ASP 2 -14.335 0.185 -5.209 10 H VAL 3 HN VAL 3 -14.056 1.350 -7.617 11 HA VAL 3 HA VAL 3 -11.237 2.327 -7.485 12 HB VAL 3 HB VAL 3 -13.619 3.302 -9.087 13 1HG1 VAL 3 HG11 VAL 3 -12.190 5.172 -8.276 14 2HG1 VAL 3 HG13 VAL 3 -10.786 4.384 -8.996 15 3HG1 VAL 3 HG12 VAL 3 -12.092 4.971 -10.026 16 1HG2 VAL 3 HG21 VAL 3 -11.019 1.908 -9.767 17 2HG2 VAL 3 HG22 VAL 3 -12.661 1.358 -10.103 18 3HG2 VAL 3 HG23 VAL 3 -11.995 2.734 -10.982 19 H GLU 4 HN GLU 4 -14.471 3.860 -7.271 20 HA GLU 4 HA GLU 4 -13.599 5.948 -5.527 21 1HB GLU 4 HB2 GLU 4 -16.167 4.918 -6.536 22 2HB GLU 4 HB1 GLU 4 -16.272 5.659 -4.939 23 1HG GLU 4 HG2 GLU 4 -15.046 7.650 -5.844 24 2HG GLU 4 HG1 GLU 4 -15.133 6.921 -7.448 25 H LYS 5 HN LYS 5 -14.654 2.659 -4.926 26 HA LYS 5 HA LYS 5 -15.191 2.936 -2.124 27 1HB LYS 5 HB2 LYS 5 -15.464 0.901 -3.891 28 2HB LYS 5 HB1 LYS 5 -13.981 0.396 -3.082 29 1HG LYS 5 HG2 LYS 5 -15.458 -0.523 -1.590 30 2HG LYS 5 HG1 LYS 5 -15.444 1.111 -0.925 31 1HD LYS 5 HD1 LYS 5 -17.407 1.684 -2.326 32 2HD LYS 5 HD2 LYS 5 -17.431 0.034 -2.951 33 1HE LYS 5 HE2 LYS 5 -18.141 -0.865 -0.924 34 2HE LYS 5 HE1 LYS 5 -17.473 0.467 0.018 35 1HZ LYS 5 HZ1 LYS 5 -19.406 1.463 -1.766 36 2HZ LYS 5 HZ2 LYS 5 -20.081 0.168 -0.899 37 3HZ LYS 5 HZ3 LYS 5 -19.415 1.492 -0.068 38 H GLY 6 HN GLY 6 -12.326 1.380 -3.600 39 1HA GLY 6 HA1 GLY 6 -10.728 1.653 -1.236 40 2HA GLY 6 HA2 GLY 6 -10.103 1.278 -2.841 41 H LYS 7 HN LYS 7 -11.756 3.939 -3.515 42 HA LYS 7 HA LYS 7 -9.412 5.655 -3.469 43 1HB LYS 7 HB2 LYS 7 -11.137 5.839 -5.252 44 2HB LYS 7 HB1 LYS 7 -12.314 6.349 -4.040 45 1HG LYS 7 HG1 LYS 7 -10.716 8.241 -3.456 46 2HG LYS 7 HG2 LYS 7 -9.804 7.804 -4.901 47 1HD LYS 7 HD1 LYS 7 -11.883 8.101 -6.253 48 2HD LYS 7 HD2 LYS 7 -12.718 8.645 -4.797 49 1HE LYS 7 HE2 LYS 7 -10.821 10.385 -4.586 50 2HE LYS 7 HE1 LYS 7 -10.437 9.980 -6.259 51 1HZ LYS 7 HZ1 LYS 7 -12.761 10.484 -6.831 52 2HZ LYS 7 HZ3 LYS 7 -13.036 10.984 -5.232 53 3HZ LYS 7 HZ2 LYS 7 -11.937 11.832 -6.210 54 H LYS 8 HN LYS 8 -12.279 5.189 -1.537 55 HA LYS 8 HA LYS 8 -11.643 7.502 0.180 56 1HB LYS 8 HB2 LYS 8 -14.013 6.294 -0.524 57 2HB LYS 8 HB1 LYS 8 -13.705 5.615 1.074 58 1HG LYS 8 HG2 LYS 8 -13.896 7.648 2.134 59 2HG LYS 8 HG1 LYS 8 -13.280 8.544 0.745 60 1HD LYS 8 HD1 LYS 8 -15.416 8.118 -0.451 61 2HD LYS 8 HD2 LYS 8 -16.030 7.283 0.976 62 1HE LYS 8 HE1 LYS 8 -15.414 9.488 2.232 63 2HE LYS 8 HE2 LYS 8 -15.409 10.209 0.622 64 1HZ LYS 8 HZ1 LYS 8 -17.677 8.957 0.445 65 2HZ LYS 8 HZ2 LYS 8 -17.638 9.060 2.140 66 3HZ LYS 8 HZ3 LYS 8 -17.584 10.475 1.202 67 H ILE 9 HN ILE 9 -11.430 3.984 0.126 68 HA ILE 9 HA ILE 9 -10.778 3.638 2.926 69 HB ILE 9 HB ILE 9 -9.813 1.927 0.626 70 1HG1 ILE 9 HG11 ILE 9 -12.346 2.469 0.646 71 2HG1 ILE 9 HG12 ILE 9 -11.880 0.760 0.604 72 1HG2 ILE 9 HG21 ILE 9 -9.723 1.759 3.519 73 2HG2 ILE 9 HG23 ILE 9 -10.576 0.375 2.836 74 3HG2 ILE 9 HG22 ILE 9 -8.930 0.740 2.318 75 1HD1 ILE 9 HD1 ILE 9 -12.017 1.670 3.346 76 2HD1 ILE 9 HD3 ILE 9 -13.524 2.060 2.518 77 3HD1 ILE 9 HD2 ILE 9 -12.945 0.395 2.558 78 H PHE 10 HN PHE 10 -8.985 4.428 0.043 79 HA PHE 10 HA PHE 10 -6.380 4.083 1.284 80 1HB PHE 10 HB2 PHE 10 -6.768 3.780 -1.164 81 2HB PHE 10 HB1 PHE 10 -7.124 5.500 -1.289 82 HD1 PHE 10 HD1 PHE 10 -4.482 3.101 -0.189 83 HD2 PHE 10 HD2 PHE 10 -5.390 7.065 -1.550 84 HE1 PHE 10 HE1 PHE 10 -2.063 3.595 -0.363 85 HE2 PHE 10 HE2 PHE 10 -2.974 7.577 -1.692 86 HZ PHE 10 HZ PHE 10 -1.320 5.863 -1.102 87 H VAL 11 HN VAL 11 -8.173 6.924 0.051 88 HA VAL 11 HA VAL 11 -6.336 8.817 1.180 89 HB VAL 11 HB VAL 11 -9.226 9.396 0.540 90 1HG1 VAL 11 HG13 VAL 11 -7.374 11.048 1.518 91 2HG1 VAL 11 HG12 VAL 11 -6.901 11.131 -0.179 92 3HG1 VAL 11 HG11 VAL 11 -8.534 11.588 0.304 93 1HG2 VAL 11 HG21 VAL 11 -7.447 8.112 -1.198 94 2HG2 VAL 11 HG22 VAL 11 -8.905 8.987 -1.662 95 3HG2 VAL 11 HG23 VAL 11 -7.348 9.812 -1.654 96 H GLN 12 HN GLN 12 -8.553 6.837 2.721 97 HA GLN 12 HA GLN 12 -9.082 8.832 4.863 98 1HB GLN 12 HB2 GLN 12 -10.740 7.301 5.676 99 2HB GLN 12 HB1 GLN 12 -10.933 7.374 3.925 100 1HG GLN 12 HG1 GLN 12 -9.631 5.316 3.673 101 2HG GLN 12 HG2 GLN 12 -9.343 5.264 5.408 102 1HE2 GLN 12 HE22 GLN 12 -12.409 3.670 6.080 103 2HE2 GLN 12 HE21 GLN 12 -10.869 4.122 6.633 104 H LYS 13 HN LYS 13 -7.498 5.708 4.297 105 HA LYS 13 HA LYS 13 -6.492 5.802 7.103 106 1HB LYS 13 HB2 LYS 13 -6.939 3.580 5.135 107 2HB LYS 13 HB1 LYS 13 -5.796 3.363 6.459 108 1HG LYS 13 HG2 LYS 13 -8.735 4.072 6.699 109 2HG LYS 13 HG1 LYS 13 -7.971 2.559 7.183 110 1HD LYS 13 HD2 LYS 13 -7.678 3.472 9.225 111 2HD LYS 13 HD1 LYS 13 -6.494 4.551 8.490 112 1HE LYS 13 HE1 LYS 13 -7.851 6.295 8.912 113 2HE LYS 13 HE2 LYS 13 -9.073 5.578 7.862 114 1HZ LYS 13 HZ2 LYS 13 -8.939 4.287 10.406 115 2HZ LYS 13 HZ3 LYS 13 -9.279 5.944 10.558 116 3HZ LYS 13 HZ1 LYS 13 -10.278 4.957 9.603 117 H CYS 14 HN CYS 14 -5.225 4.888 3.843 118 HA CYS 14 HA CYS 14 -2.517 5.565 4.894 119 1HB CYS 14 HB2 CYS 14 -2.595 4.491 2.172 120 2HB CYS 14 HB1 CYS 14 -1.672 3.942 3.566 121 H ALA 15 HN ALA 15 -4.232 7.746 4.304 122 HA ALA 15 HA ALA 15 -3.379 8.717 1.644 123 1HB ALA 15 HB3 ALA 15 -5.647 9.148 3.165 124 2HB ALA 15 HB2 ALA 15 -4.731 10.632 3.419 125 3HB ALA 15 HB1 ALA 15 -5.154 10.126 1.784 126 H GLN 16 HN GLN 16 -2.733 9.335 5.082 127 HA GLN 16 HA GLN 16 -0.990 11.599 4.429 128 1HB GLN 16 HB1 GLN 16 -2.302 11.606 6.532 129 2HB GLN 16 HB2 GLN 16 -1.369 10.196 7.080 130 1HG GLN 16 HG1 GLN 16 0.688 11.449 7.072 131 2HG GLN 16 HG2 GLN 16 -0.072 12.810 6.222 132 1HE2 GLN 16 HE22 GLN 16 -0.026 13.817 9.776 133 2HE2 GLN 16 HE21 GLN 16 1.096 13.602 8.521 134 H CYS 17 HN CYS 17 -0.615 8.325 4.257 135 HA CYS 17 HA CYS 17 2.327 8.645 4.635 136 1HB CYS 17 HB2 CYS 17 0.565 7.042 6.140 137 2HB CYS 17 HB1 CYS 17 1.468 5.947 5.097 138 H HIS 18 HN LIG 18 -0.222 7.748 2.586 139 HA HIS 18 HA LIG 18 1.740 6.575 0.721 140 1HB HIS 18 HB2 LIG 18 -0.837 5.341 1.647 141 2HB HIS 18 HB1 LIG 18 -0.232 5.001 0.036 142 HD1 HIS 18 HD1 LIG 18 2.279 3.958 -0.053 143 HD2 HIS 18 HD2 LIG 18 0.392 3.871 3.657 144 HE1 HIS 18 HE1 LIG 18 3.534 2.263 1.343 145 H THR 19 HN THR 19 1.730 8.163 -0.797 146 HA THR 19 HA THR 19 -0.835 9.426 -1.551 147 HB THR 19 HB THR 19 0.805 10.863 -2.966 148 HG1 THR 19 HG1 THR 19 2.685 9.888 -2.917 149 1HG2 THR 19 HG23 THR 19 -0.316 11.434 -0.729 150 2HG2 THR 19 HG21 THR 19 1.219 10.991 0.018 151 3HG2 THR 19 HG22 THR 19 1.151 12.326 -1.132 152 H VAL 20 HN VAL 20 -1.807 9.077 -3.496 153 HA VAL 20 HA VAL 20 -0.271 7.650 -5.612 154 HB VAL 20 HB VAL 20 -1.493 5.859 -4.628 155 1HG1 VAL 20 HG12 VAL 20 -3.079 7.741 -3.518 156 2HG1 VAL 20 HG11 VAL 20 -4.146 7.195 -4.808 157 3HG1 VAL 20 HG13 VAL 20 -3.545 6.044 -3.616 158 1HG2 VAL 20 HG21 VAL 20 -2.134 6.816 -7.211 159 2HG2 VAL 20 HG23 VAL 20 -2.302 5.166 -6.615 160 3HG2 VAL 20 HG22 VAL 20 -3.656 6.288 -6.497 161 H GLU 21 HN GLU 21 -3.465 9.141 -4.932 162 HA GLU 21 HA GLU 21 -3.548 10.142 -7.713 163 1HB GLU 21 HB2 GLU 21 -5.489 9.664 -5.565 164 2HB GLU 21 HB1 GLU 21 -5.748 11.193 -6.406 165 1HG GLU 21 HG2 GLU 21 -5.234 9.509 -8.503 166 2HG GLU 21 HG1 GLU 21 -6.072 8.430 -7.388 167 H LYS 22 HN LYS 22 -2.414 11.189 -4.702 168 HA LYS 22 HA LYS 22 -2.951 14.046 -5.168 169 1HB LYS 22 HB2 LYS 22 -1.919 12.383 -2.970 170 2HB LYS 22 HB1 LYS 22 -1.080 13.925 -3.148 171 1HG LYS 22 HG2 LYS 22 -3.828 14.491 -3.481 172 2HG LYS 22 HG1 LYS 22 -3.716 13.417 -2.087 173 1HD LYS 22 HD2 LYS 22 -2.663 14.983 -0.819 174 2HD LYS 22 HD1 LYS 22 -1.645 15.512 -2.159 175 1HE LYS 22 HE1 LYS 22 -3.085 17.172 -2.756 176 2HE LYS 22 HE2 LYS 22 -4.507 16.173 -2.458 177 1HZ LYS 22 HZ2 LYS 22 -2.853 17.244 -0.252 178 2HZ LYS 22 HZ1 LYS 22 -4.139 18.130 -0.921 179 3HZ LYS 22 HZ3 LYS 22 -4.435 16.630 -0.181 180 H GLY 23 HN GLY 23 -0.229 11.782 -5.375 181 1HA GLY 23 HA2 GLY 23 1.094 13.252 -7.421 182 2HA GLY 23 HA1 GLY 23 1.824 13.688 -5.876 183 H GLY 24 HN GLY 24 1.766 11.292 -4.505 184 1HA GLY 24 HA1 GLY 24 2.496 8.977 -4.651 185 2HA GLY 24 HA2 GLY 24 3.084 9.304 -6.276 186 H LYS 25 HN LYS 25 3.744 11.579 -3.716 187 HA LYS 25 HA LYS 25 6.639 11.069 -4.046 188 1HB LYS 25 HB2 LYS 25 5.067 13.195 -2.556 189 2HB LYS 25 HB1 LYS 25 6.829 13.096 -2.532 190 1HG LYS 25 HG2 LYS 25 6.668 13.091 -5.118 191 2HG LYS 25 HG1 LYS 25 5.016 13.661 -4.879 192 1HD LYS 25 HD2 LYS 25 5.696 15.701 -4.044 193 2HD LYS 25 HD1 LYS 25 7.183 15.044 -3.361 194 1HE LYS 25 HE2 LYS 25 8.245 15.923 -5.151 195 2HE LYS 25 HE1 LYS 25 7.478 14.654 -6.106 196 1HZ LYS 25 HZ3 LYS 25 5.878 17.017 -5.514 197 2HZ LYS 25 HZ2 LYS 25 7.146 17.213 -6.625 198 3HZ LYS 25 HZ1 LYS 25 5.931 16.064 -6.918 199 H HIS 26 HN HIS 26 7.917 11.284 -1.859 200 HA HIS 26 HA HIS 26 6.829 9.215 -0.049 201 1HB HIS 26 HB2 HIS 26 9.425 10.650 0.469 202 2HB HIS 26 HB1 HIS 26 8.999 8.955 0.778 203 HD1 HIS 26 HD1 HIS 26 9.115 7.308 -1.249 204 HD2 HIS 26 HD2 HIS 26 10.413 11.168 -2.129 205 HE1 HIS 26 HE1 HIS 26 10.327 7.164 -3.474 206 H LYS 27 HN LYS 27 5.135 11.181 0.207 207 HA LYS 27 HA LYS 27 5.781 13.431 1.792 208 1HB LYS 27 HB2 LYS 27 3.530 12.645 0.587 209 2HB LYS 27 HB1 LYS 27 3.146 12.081 2.214 210 1HG LYS 27 HG2 LYS 27 2.909 14.191 3.021 211 2HG LYS 27 HG1 LYS 27 4.303 14.790 2.122 212 1HD LYS 27 HD2 LYS 27 2.845 14.639 0.029 213 2HD LYS 27 HD1 LYS 27 1.477 14.392 1.114 214 1HE LYS 27 HE2 LYS 27 1.988 16.528 2.244 215 2HE LYS 27 HE1 LYS 27 3.357 16.775 1.159 216 1HZ LYS 27 HZ2 LYS 27 1.530 16.414 -0.649 217 2HZ LYS 27 HZ3 LYS 27 0.483 16.910 0.592 218 3HZ LYS 27 HZ1 LYS 27 1.736 17.935 0.078 219 H THR 28 HN THR 28 3.678 12.697 3.974 220 HA THR 28 HA THR 28 5.500 12.057 6.040 221 HB THR 28 HB THR 28 2.542 12.042 5.727 222 HG1 THR 28 HG1 THR 28 3.199 13.796 6.699 223 1HG2 THR 28 HG22 THR 28 3.946 10.463 7.905 224 2HG2 THR 28 HG21 THR 28 2.258 10.969 7.988 225 3HG2 THR 28 HG23 THR 28 2.781 9.844 6.735 226 H GLY 29 HN GLY 29 4.027 10.096 3.609 227 1HA GLY 29 HA1 GLY 29 5.504 7.753 4.668 228 2HA GLY 29 HA2 GLY 29 3.776 7.556 4.331 229 HA PRO 30 HA PRO 30 6.490 6.882 0.503 230 1HB PRO 30 HB2 PRO 30 5.879 4.116 0.451 231 2HB PRO 30 HB1 PRO 30 7.419 4.857 0.898 232 1HG PRO 30 HG2 PRO 30 5.503 3.540 2.639 233 2HG PRO 30 HG1 PRO 30 7.094 4.190 3.055 234 1HD PRO 30 HD2 PRO 30 4.501 5.300 3.664 235 2HD PRO 30 HD1 PRO 30 6.099 5.919 4.129 236 H ASN 31 HN ASN 31 5.477 7.006 -1.493 237 HA ASN 31 HA ASN 31 2.602 6.851 -1.678 238 1HB ASN 31 HB2 ASN 31 2.947 7.263 -4.091 239 2HB ASN 31 HB1 ASN 31 3.853 8.406 -3.085 240 1HD2 ASN 31 HD22 ASN 31 5.959 6.628 -5.816 241 2HD2 ASN 31 HD21 ASN 31 4.359 7.190 -5.903 242 H LEU 32 HN LEU 32 1.931 5.591 -3.957 243 HA LEU 32 HA LEU 32 2.774 2.767 -3.446 244 1HB LEU 32 HB2 LEU 32 0.135 4.026 -3.996 245 2HB LEU 32 HB1 LEU 32 0.436 2.492 -4.795 246 HG LEU 32 HG LEU 32 -0.536 1.794 -2.795 247 1HD1 LEU 32 HD22 LEU 32 1.898 0.937 -3.127 248 2HD1 LEU 32 HD21 LEU 32 2.283 1.979 -1.759 249 3HD1 LEU 32 HD23 LEU 32 1.118 0.671 -1.567 250 1HD2 LEU 32 HD13 LEU 32 -0.658 4.052 -1.817 251 2HD2 LEU 32 HD11 LEU 32 -0.134 2.860 -0.628 252 3HD2 LEU 32 HD12 LEU 32 1.042 3.939 -1.370 253 H HIS 33 HN HIS 33 4.300 4.394 -5.200 254 HA HIS 33 HA HIS 33 3.398 3.917 -7.934 255 1HB HIS 33 HB2 HIS 33 4.885 5.840 -7.258 256 2HB HIS 33 HB1 HIS 33 6.181 4.672 -7.007 257 HD1 HIS 33 HD1 HIS 33 7.013 6.477 -9.087 258 HD2 HIS 33 HD2 HIS 33 4.387 3.373 -10.011 259 HE1 HIS 33 HE1 HIS 33 7.174 6.124 -11.589 260 H GLY 34 HN GLY 34 4.391 1.824 -5.675 261 1HA GLY 34 HA1 GLY 34 5.895 0.125 -7.619 262 2HA GLY 34 HA2 GLY 34 6.074 0.004 -5.867 263 H LEU 35 HN LEU 35 2.967 0.538 -5.931 264 HA LEU 35 HA LEU 35 2.060 -2.023 -5.325 265 1HB LEU 35 HB2 LEU 35 0.737 0.430 -6.400 266 2HB LEU 35 HB1 LEU 35 -0.176 -1.067 -6.431 267 HG LEU 35 HG LEU 35 0.391 0.685 -4.192 268 1HD1 LEU 35 HD11 LEU 35 -1.823 -0.069 -4.895 269 2HD1 LEU 35 HD13 LEU 35 -1.358 -1.734 -4.554 270 3HD1 LEU 35 HD12 LEU 35 -1.485 -0.576 -3.239 271 1HD2 LEU 35 HD21 LEU 35 2.136 -1.094 -3.735 272 2HD2 LEU 35 HD23 LEU 35 0.901 -0.919 -2.490 273 3HD2 LEU 35 HD22 LEU 35 0.807 -2.246 -3.638 274 H PHE 36 HN PHE 36 0.329 -3.175 -6.693 275 HA PHE 36 HA PHE 36 0.801 -4.923 -8.455 276 1HB PHE 36 HB2 PHE 36 -0.877 -3.090 -10.014 277 2HB PHE 36 HB1 PHE 36 -1.264 -4.674 -9.358 278 HD1 PHE 36 HD2 PHE 36 -2.129 -4.914 -7.055 279 HD2 PHE 36 HD1 PHE 36 -1.304 -1.064 -8.759 280 HE1 PHE 36 HE2 PHE 36 -3.432 -3.827 -5.246 281 HE2 PHE 36 HE1 PHE 36 -2.613 0.020 -6.947 282 HZ PHE 36 HZ PHE 36 -3.684 -1.377 -5.197 283 H GLY 37 HN GLY 37 3.155 -4.267 -9.024 284 1HA GLY 37 HA1 GLY 37 3.160 -3.523 -11.865 285 2HA GLY 37 HA2 GLY 37 4.022 -2.403 -10.815 286 H ARG 38 HN ARG 38 4.155 -5.627 -9.687 287 HA ARG 38 HA ARG 38 5.783 -7.323 -9.912 288 1HB ARG 38 HB2 ARG 38 5.816 -6.539 -12.383 289 2HB ARG 38 HB1 ARG 38 7.262 -5.620 -11.916 290 1HG ARG 38 HG2 ARG 38 8.253 -7.744 -11.029 291 2HG ARG 38 HG1 ARG 38 6.860 -8.618 -11.668 292 1HD ARG 38 HD2 ARG 38 7.639 -8.519 -13.796 293 2HD ARG 38 HD1 ARG 38 8.105 -6.826 -13.633 294 HE ARG 38 HE ARG 38 10.273 -7.528 -12.887 295 1HH1 ARG 38 HH11 ARG 38 10.153 -9.652 -11.103 296 2HH1 ARG 38 HH12 ARG 38 10.441 -11.087 -12.029 297 1HH2 ARG 38 HH21 ARG 38 9.742 -9.582 -15.074 298 2HH2 ARG 38 HH22 ARG 38 10.209 -11.048 -14.277 299 H LYS 39 HN LYS 39 6.990 -3.953 -9.959 300 HA LYS 39 HA LYS 39 9.258 -4.789 -8.248 301 1HB LYS 39 HB2 LYS 39 8.685 -2.520 -10.033 302 2HB LYS 39 HB1 LYS 39 9.474 -2.061 -8.523 303 1HG LYS 39 HG2 LYS 39 11.200 -3.812 -8.930 304 2HG LYS 39 HG1 LYS 39 10.440 -4.167 -10.481 305 1HD LYS 39 HD1 LYS 39 10.819 -1.815 -11.182 306 2HD LYS 39 HD2 LYS 39 11.626 -1.501 -9.646 307 1HE LYS 39 HE1 LYS 39 13.496 -2.724 -10.221 308 2HE LYS 39 HE2 LYS 39 12.586 -3.826 -11.254 309 1HZ LYS 39 HZ1 LYS 39 12.408 -1.235 -12.312 310 2HZ LYS 39 HZ3 LYS 39 14.044 -1.572 -12.009 311 3HZ LYS 39 HZ2 LYS 39 13.133 -2.608 -12.999 312 H THR 40 HN THR 40 9.297 -4.405 -6.088 313 HA THR 40 HA THR 40 6.940 -3.031 -4.898 314 HB THR 40 HB THR 40 7.208 -4.389 -3.028 315 HG1 THR 40 HG1 THR 40 9.149 -3.969 -2.231 316 1HG2 THR 40 HG23 THR 40 7.834 -5.670 -5.545 317 2HG2 THR 40 HG21 THR 40 8.610 -6.507 -4.214 318 3HG2 THR 40 HG22 THR 40 6.869 -6.255 -4.211 319 H GLY 41 HN GLY 41 10.446 -3.308 -4.180 320 1HA GLY 41 HA1 GLY 41 10.512 -0.812 -2.734 321 2HA GLY 41 HA2 GLY 41 11.924 -1.655 -3.370 322 H GLN 42 HN GLN 42 9.358 0.644 -4.206 323 HA GLN 42 HA GLN 42 10.059 1.177 -6.887 324 1HB GLN 42 HB2 GLN 42 9.266 3.633 -6.168 325 2HB GLN 42 HB1 GLN 42 8.119 2.295 -6.353 326 1HG GLN 42 HG2 GLN 42 9.282 2.328 -3.687 327 2HG GLN 42 HG1 GLN 42 8.501 3.858 -4.064 328 1HE2 GLN 42 HE22 GLN 42 6.168 0.842 -3.026 329 2HE2 GLN 42 HE21 GLN 42 7.805 1.008 -2.611 330 H ALA 43 HN ALA 43 10.633 4.011 -4.979 331 HA ALA 43 HA ALA 43 13.462 4.003 -5.910 332 1HB ALA 43 HB1 ALA 43 11.418 5.970 -5.982 333 2HB ALA 43 HB2 ALA 43 12.620 6.528 -4.818 334 3HB ALA 43 HB3 ALA 43 13.102 6.155 -6.473 335 HA PRO 44 HA PRO 44 13.812 2.832 -1.489 336 1HB PRO 44 HB2 PRO 44 16.634 2.550 -2.099 337 2HB PRO 44 HB1 PRO 44 15.461 1.301 -1.667 338 1HG PRO 44 HG2 PRO 44 16.547 1.880 -4.285 339 2HG PRO 44 HG1 PRO 44 15.430 0.587 -3.825 340 1HD PRO 44 HD2 PRO 44 14.804 2.869 -5.391 341 2HD PRO 44 HD1 PRO 44 13.645 1.708 -4.684 342 H GLY 45 HN GLY 45 15.282 5.363 -3.368 343 1HA GLY 45 HA2 GLY 45 16.999 6.583 -1.510 344 2HA GLY 45 HA1 GLY 45 16.024 7.484 -2.671 345 H PHE 46 HN PHE 46 13.571 6.151 -1.352 346 HA PHE 46 HA PHE 46 12.889 8.315 0.381 347 1HB PHE 46 HB2 PHE 46 11.185 7.011 -0.796 348 2HB PHE 46 HB1 PHE 46 11.645 5.559 0.112 349 HD1 PHE 46 HD2 PHE 46 11.965 8.496 2.125 350 HD2 PHE 46 HD1 PHE 46 9.084 5.671 0.648 351 HE1 PHE 46 HE2 PHE 46 10.413 9.116 3.955 352 HE2 PHE 46 HE1 PHE 46 7.538 6.298 2.478 353 HZ PHE 46 HZ PHE 46 8.199 8.020 4.131 354 H THR 47 HN THR 47 12.063 5.409 2.008 355 HA THR 47 HA THR 47 14.426 5.494 3.768 356 HB THR 47 HB THR 47 12.648 7.257 4.475 357 HG1 THR 47 HG1 THR 47 13.140 6.815 6.620 358 1HG2 THR 47 HG21 THR 47 10.822 5.402 4.194 359 2HG2 THR 47 HG22 THR 47 11.338 4.900 5.804 360 3HG2 THR 47 HG23 THR 47 10.705 6.526 5.548 361 H TYR 48 HN TYR 48 12.709 3.551 2.014 362 HA TYR 48 HA TYR 48 11.352 1.646 3.492 363 1HB TYR 48 HB2 TYR 48 13.402 1.114 1.325 364 2HB TYR 48 HB1 TYR 48 12.274 -0.083 1.937 365 HD1 TYR 48 HD1 TYR 48 10.632 2.990 2.197 366 HD2 TYR 48 HD2 TYR 48 11.826 0.101 -0.748 367 HE1 TYR 48 HE1 TYR 48 8.867 3.806 0.672 368 HE2 TYR 48 HE2 TYR 48 10.054 0.922 -2.269 369 HH TYR 48 HH TYR 48 8.407 3.832 -1.768 370 H THR 49 HN THR 49 12.034 -0.379 4.510 371 HA THR 49 HA THR 49 14.362 0.047 6.237 372 HB THR 49 HB THR 49 12.143 -1.122 6.874 373 HG1 THR 49 HG1 THR 49 13.536 -1.442 8.415 374 1HG2 THR 49 HG21 THR 49 12.540 -2.644 4.719 375 2HG2 THR 49 HG22 THR 49 13.418 -3.634 5.884 376 3HG2 THR 49 HG23 THR 49 11.713 -3.270 6.144 377 H ASP 50 HN ASP 50 15.189 -2.757 6.311 378 HA ASP 50 HA ASP 50 16.863 -2.725 3.872 379 1HB ASP 50 HB2 ASP 50 16.994 -4.031 6.546 380 2HB ASP 50 HB1 ASP 50 17.686 -4.934 5.197 381 H ALA 51 HN ALA 51 14.342 -3.150 3.038 382 HA ALA 51 HA ALA 51 14.444 -5.876 2.011 383 1HB ALA 51 HB2 ALA 51 12.553 -5.169 4.237 384 2HB ALA 51 HB3 ALA 51 12.072 -6.348 3.017 385 3HB ALA 51 HB1 ALA 51 13.500 -6.639 4.010 386 H ASN 52 HN ASN 52 11.999 -3.340 2.725 387 HA ASN 52 HA ASN 52 10.681 -3.750 0.169 388 1HB ASN 52 HB2 ASN 52 9.271 -2.808 1.812 389 2HB ASN 52 HB1 ASN 52 10.491 -1.656 2.313 390 1HD2 ASN 52 HD22 ASN 52 9.070 -0.753 -1.407 391 2HD2 ASN 52 HD21 ASN 52 9.756 -2.275 -1.099 392 H LYS 53 HN LYS 53 13.172 -1.765 1.499 393 HA LYS 53 HA LYS 53 13.600 0.287 -0.305 394 1HB LYS 53 HB2 LYS 53 15.109 -0.882 1.639 395 2HB LYS 53 HB1 LYS 53 16.011 -1.358 0.203 396 1HG LYS 53 HG1 LYS 53 16.644 0.777 -0.271 397 2HG LYS 53 HG2 LYS 53 15.118 1.462 0.288 398 1HD LYS 53 HD1 LYS 53 15.949 1.856 2.357 399 2HD LYS 53 HD2 LYS 53 16.651 0.241 2.459 400 1HE LYS 53 HE2 LYS 53 18.416 1.177 0.772 401 2HE LYS 53 HE1 LYS 53 17.852 2.755 1.320 402 1HZ LYS 53 HZ2 LYS 53 18.210 1.836 3.645 403 2HZ LYS 53 HZ3 LYS 53 19.112 0.603 2.904 404 3HZ LYS 53 HZ1 LYS 53 19.597 2.222 2.745 405 H ASN 54 HN ASN 54 15.125 -2.896 -0.713 406 HA ASN 54 HA ASN 54 14.739 -2.625 -3.664 407 1HB ASN 54 HB2 ASN 54 17.073 -2.213 -3.178 408 2HB ASN 54 HB1 ASN 54 17.147 -3.625 -2.124 409 1HD2 ASN 54 HD22 ASN 54 16.867 -4.305 -6.182 410 2HD2 ASN 54 HD21 ASN 54 16.120 -2.930 -5.526 411 H LYS 55 HN LYS 55 12.969 -3.865 -1.929 412 HA LYS 55 HA LYS 55 13.310 -6.594 -1.374 413 1HB LYS 55 HB2 LYS 55 11.202 -4.730 -1.320 414 2HB LYS 55 HB1 LYS 55 10.615 -6.072 -2.296 415 1HG LYS 55 HG1 LYS 55 12.077 -6.992 0.057 416 2HG LYS 55 HG2 LYS 55 10.700 -5.982 0.491 417 1HD LYS 55 HD2 LYS 55 9.386 -7.783 0.165 418 2HD LYS 55 HD1 LYS 55 9.751 -7.655 -1.555 419 1HE LYS 55 HE2 LYS 55 10.258 -9.914 -0.419 420 2HE LYS 55 HE1 LYS 55 11.545 -9.208 -1.396 421 1HZ LYS 55 HZ1 LYS 55 11.579 -8.294 1.318 422 2HZ LYS 55 HZ2 LYS 55 11.754 -9.979 1.203 423 3HZ LYS 55 HZ3 LYS 55 12.833 -8.956 0.383 424 H GLY 56 HN GLY 56 11.073 -7.711 -2.857 425 1HA GLY 56 HA2 GLY 56 11.703 -7.699 -5.687 426 2HA GLY 56 HA1 GLY 56 12.347 -9.124 -4.879 427 H ILE 57 HN ILE 57 9.424 -7.950 -3.481 428 HA ILE 57 HA ILE 57 7.958 -10.292 -4.539 429 HB ILE 57 HB ILE 57 6.218 -9.630 -2.891 430 1HG1 ILE 57 HG11 ILE 57 7.994 -7.212 -2.677 431 2HG1 ILE 57 HG12 ILE 57 6.260 -7.280 -2.962 432 1HG2 ILE 57 HG21 ILE 57 9.013 -9.593 -1.765 433 2HG2 ILE 57 HG22 ILE 57 7.547 -9.798 -0.807 434 3HG2 ILE 57 HG23 ILE 57 7.989 -11.008 -2.012 435 1HD1 ILE 57 HD2 ILE 57 6.659 -8.546 -0.500 436 2HD1 ILE 57 HD3 ILE 57 7.693 -7.114 -0.472 437 3HD1 ILE 57 HD1 ILE 57 5.969 -6.953 -0.807 438 H THR 58 HN THR 58 5.364 -8.894 -4.295 439 HA THR 58 HA THR 58 5.516 -6.806 -6.374 440 HB THR 58 HB THR 58 3.377 -8.891 -6.655 441 HG1 THR 58 HG1 THR 58 4.698 -10.207 -7.777 442 1HG2 THR 58 HG22 THR 58 4.564 -6.682 -8.196 443 2HG2 THR 58 HG21 THR 58 4.281 -8.142 -9.145 444 3HG2 THR 58 HG23 THR 58 2.944 -7.374 -8.288 445 H TRP 59 HN TRP 59 2.716 -6.488 -6.641 446 HA TRP 59 HA TRP 59 1.773 -6.275 -3.868 447 1HB TRP 59 HB2 TRP 59 2.268 -3.930 -5.674 448 2HB TRP 59 HB1 TRP 59 1.172 -3.845 -4.283 449 HD1 TRP 59 HD1 TRP 59 4.493 -2.881 -4.923 450 HE1 TRP 59 HE1 TRP 59 6.038 -3.165 -2.878 451 HE3 TRP 59 HE3 TRP 59 1.610 -5.951 -2.074 452 HZ2 TRP 59 HZ2 TRP 59 6.032 -4.574 -0.353 453 HZ3 TRP 59 HZ3 TRP 59 2.387 -6.742 0.129 454 HH2 TRP 59 HH2 TRP 59 4.583 -6.054 0.990 455 H LYS 60 HN LYS 60 0.656 -7.982 -5.600 456 HA LYS 60 HA LYS 60 -1.754 -6.694 -6.729 457 1HB LYS 60 HB2 LYS 60 -0.498 -8.643 -7.863 458 2HB LYS 60 HB1 LYS 60 -1.210 -9.670 -6.602 459 1HG LYS 60 HG1 LYS 60 -3.098 -9.777 -7.821 460 2HG LYS 60 HG2 LYS 60 -3.299 -8.037 -7.610 461 1HD LYS 60 HD2 LYS 60 -2.041 -7.575 -9.614 462 2HD LYS 60 HD1 LYS 60 -1.549 -9.262 -9.759 463 1HE LYS 60 HE2 LYS 60 -4.105 -9.758 -9.850 464 2HE LYS 60 HE1 LYS 60 -4.265 -8.042 -10.228 465 1HZ LYS 60 HZ3 LYS 60 -2.216 -9.413 -11.729 466 2HZ LYS 60 HZ2 LYS 60 -3.790 -9.970 -12.038 467 3HZ LYS 60 HZ1 LYS 60 -3.412 -8.329 -12.259 468 H GLU 61 HN GLU 61 -2.979 -9.531 -5.766 469 HA GLU 61 HA GLU 61 -4.110 -8.319 -3.355 470 1HB GLU 61 HB2 GLU 61 -5.196 -10.675 -3.196 471 2HB GLU 61 HB1 GLU 61 -5.749 -9.536 -4.422 472 1HG GLU 61 HG2 GLU 61 -4.914 -10.776 -6.146 473 2HG GLU 61 HG1 GLU 61 -3.475 -11.246 -5.240 474 H GLU 62 HN GLU 62 -3.165 -11.742 -3.468 475 HA GLU 62 HA GLU 62 -2.541 -12.195 -0.888 476 1HB GLU 62 HB2 GLU 62 -2.121 -13.740 -2.905 477 2HB GLU 62 HB1 GLU 62 -0.504 -13.033 -2.942 478 1HG GLU 62 HG1 GLU 62 -0.152 -13.689 -0.594 479 2HG GLU 62 HG2 GLU 62 -1.773 -14.382 -0.539 480 H THR 63 HN THR 63 -0.382 -10.419 -3.073 481 HA THR 63 HA THR 63 1.668 -10.047 -1.066 482 HB THR 63 HB THR 63 2.034 -7.984 -2.847 483 HG1 THR 63 HG1 THR 63 0.973 -10.127 -4.338 484 1HG2 THR 63 HG21 THR 63 3.590 -9.849 -2.192 485 2HG2 THR 63 HG23 THR 63 2.769 -10.869 -3.373 486 3HG2 THR 63 HG22 THR 63 3.640 -9.432 -3.903 487 H LEU 64 HN LEU 64 -0.940 -7.947 -2.397 488 HA LEU 64 HA LEU 64 -0.401 -6.057 -0.224 489 1HB LEU 64 HB2 LEU 64 -2.591 -6.108 -2.318 490 2HB LEU 64 HB1 LEU 64 -2.411 -4.829 -1.101 491 HG LEU 64 HG LEU 64 -0.255 -5.626 -3.082 492 1HD1 LEU 64 HD22 LEU 64 -2.208 -3.310 -3.057 493 2HD1 LEU 64 HD23 LEU 64 -0.784 -3.395 -4.094 494 3HD1 LEU 64 HD21 LEU 64 -2.076 -4.578 -4.277 495 1HD2 LEU 64 HD12 LEU 64 -0.503 -3.301 -1.150 496 2HD2 LEU 64 HD13 LEU 64 0.582 -4.678 -0.963 497 3HD2 LEU 64 HD11 LEU 64 0.817 -3.545 -2.293 498 H MET 65 HN MET 65 -3.375 -7.768 -1.208 499 HA MET 65 HA MET 65 -5.020 -7.630 0.906 500 1HB MET 65 HB2 MET 65 -4.890 -9.366 -1.133 501 2HB MET 65 HB1 MET 65 -4.383 -10.444 0.168 502 1HG MET 65 HG2 MET 65 -6.402 -10.157 1.356 503 2HG MET 65 HG1 MET 65 -6.819 -8.692 0.468 504 1HE MET 65 HE1 MET 65 -7.646 -11.913 1.205 505 2HE MET 65 HE2 MET 65 -8.187 -12.807 -0.215 506 3HE MET 65 HE3 MET 65 -6.467 -12.696 0.154 507 H GLU 66 HN GLU 66 -1.922 -9.380 0.960 508 HA GLU 66 HA GLU 66 -2.324 -10.379 3.674 509 1HB GLU 66 HB2 GLU 66 0.046 -10.209 1.794 510 2HB GLU 66 HB1 GLU 66 0.214 -10.766 3.467 511 1HG GLU 66 HG2 GLU 66 -1.874 -11.970 1.653 512 2HG GLU 66 HG1 GLU 66 -0.197 -12.553 1.620 513 H TYR 67 HN TYR 67 0.037 -8.103 2.262 514 HA TYR 67 HA TYR 67 1.036 -6.844 4.481 515 1HB TYR 67 HB2 TYR 67 1.450 -6.358 2.018 516 2HB TYR 67 HB1 TYR 67 0.028 -5.321 2.074 517 HD1 TYR 67 HD2 TYR 67 0.141 -3.805 4.485 518 HD2 TYR 67 HD1 TYR 67 3.409 -5.190 2.091 519 HE1 TYR 67 HE2 TYR 67 1.582 -2.014 5.414 520 HE2 TYR 67 HE1 TYR 67 4.842 -3.393 2.995 521 HH TYR 67 HH TYR 67 4.982 -2.022 4.980 522 H LEU 68 HN LEU 68 -1.718 -5.435 2.729 523 HA LEU 68 HA LEU 68 -2.617 -3.490 4.335 524 1HB LEU 68 HB2 LEU 68 -3.783 -5.054 2.375 525 2HB LEU 68 HB1 LEU 68 -4.867 -5.263 3.766 526 HG LEU 68 HG LEU 68 -4.022 -2.662 2.452 527 1HD1 LEU 68 HD21 LEU 68 -5.941 -3.999 1.506 528 2HD1 LEU 68 HD23 LEU 68 -6.764 -3.799 3.053 529 3HD1 LEU 68 HD22 LEU 68 -6.388 -2.388 2.065 530 1HD2 LEU 68 HD11 LEU 68 -5.449 -3.137 5.081 531 2HD2 LEU 68 HD13 LEU 68 -3.918 -2.297 4.844 532 3HD2 LEU 68 HD12 LEU 68 -5.413 -1.586 4.244 533 H GLU 69 HN GLU 69 -3.551 -6.905 5.021 534 HA GLU 69 HA GLU 69 -5.001 -6.537 7.354 535 1HB GLU 69 HB2 GLU 69 -3.411 -8.684 6.231 536 2HB GLU 69 HB1 GLU 69 -3.252 -8.652 7.987 537 1HG GLU 69 HG2 GLU 69 -5.978 -8.192 7.496 538 2HG GLU 69 HG1 GLU 69 -5.520 -9.474 6.375 539 H ASN 70 HN ASN 70 -1.472 -7.030 7.287 540 HA ASN 70 HA ASN 70 -1.142 -4.961 9.349 541 1HB ASN 70 HB2 ASN 70 0.361 -7.406 10.029 542 2HB ASN 70 HB1 ASN 70 -0.494 -6.282 11.083 543 1HD2 ASN 70 HD22 ASN 70 -2.243 -9.762 10.216 544 2HD2 ASN 70 HD21 ASN 70 -0.594 -9.445 9.968 545 HA PRO 71 HA PRO 71 2.104 -4.222 6.451 546 1HB PRO 71 HB2 PRO 71 3.550 -2.770 8.515 547 2HB PRO 71 HB1 PRO 71 2.724 -2.134 7.072 548 1HG PRO 71 HG2 PRO 71 1.833 -1.984 9.804 549 2HG PRO 71 HG1 PRO 71 0.995 -1.398 8.364 550 1HD PRO 71 HD2 PRO 71 0.289 -3.643 10.003 551 2HD PRO 71 HD1 PRO 71 -0.501 -3.108 8.505 552 H LYS 72 HN LYS 72 3.751 -4.266 9.603 553 HA LYS 72 HA LYS 72 6.019 -5.621 8.908 554 1HB LYS 72 HB2 LYS 72 4.383 -5.731 11.421 555 2HB LYS 72 HB1 LYS 72 5.835 -6.723 11.269 556 1HG LYS 72 HG2 LYS 72 7.188 -4.746 10.779 557 2HG LYS 72 HG1 LYS 72 5.740 -3.719 10.823 558 1HD LYS 72 HD2 LYS 72 5.444 -4.077 13.163 559 2HD LYS 72 HD1 LYS 72 6.587 -5.419 13.181 560 1HE LYS 72 HE1 LYS 72 8.354 -3.721 12.421 561 2HE LYS 72 HE2 LYS 72 7.178 -2.474 12.837 562 1HZ LYS 72 HZ3 LYS 72 7.349 -4.365 14.923 563 2HZ LYS 72 HZ2 LYS 72 8.907 -3.805 14.546 564 3HZ LYS 72 HZ1 LYS 72 7.686 -2.701 14.964 565 H LYS 73 HN LYS 73 2.828 -7.117 9.178 566 HA LYS 73 HA LYS 73 3.611 -9.801 9.413 567 1HB LYS 73 HB2 LYS 73 1.382 -10.016 9.318 568 2HB LYS 73 HB1 LYS 73 1.229 -8.382 8.705 569 1HG LYS 73 HG2 LYS 73 1.037 -9.080 6.504 570 2HG LYS 73 HG1 LYS 73 2.008 -10.530 6.764 571 1HD LYS 73 HD1 LYS 73 0.133 -11.726 7.035 572 2HD LYS 73 HD2 LYS 73 -0.265 -10.748 8.447 573 1HE LYS 73 HE1 LYS 73 -1.263 -9.040 6.897 574 2HE LYS 73 HE2 LYS 73 -1.006 -10.170 5.567 575 1HZ LYS 73 HZ3 LYS 73 -2.297 -11.809 6.974 576 2HZ LYS 73 HZ1 LYS 73 -2.768 -10.481 7.921 577 3HZ LYS 73 HZ2 LYS 73 -3.186 -10.542 6.276 578 H TYR 74 HN TYR 74 3.165 -7.991 6.332 579 HA TYR 74 HA TYR 74 4.173 -10.136 4.722 580 1HB TYR 74 HB2 TYR 74 3.810 -8.731 2.965 581 2HB TYR 74 HB1 TYR 74 3.029 -7.706 4.164 582 HD1 TYR 74 HD2 TYR 74 4.350 -5.865 5.258 583 HD2 TYR 74 HD1 TYR 74 5.861 -8.069 1.905 584 HE1 TYR 74 HE2 TYR 74 6.023 -4.092 4.857 585 HE2 TYR 74 HE1 TYR 74 7.546 -6.282 1.504 586 HH TYR 74 HH TYR 74 8.423 -4.402 2.252 587 H ILE 75 HN ILE 75 5.710 -7.504 6.459 588 HA ILE 75 HA ILE 75 8.295 -8.867 6.394 589 HB ILE 75 HB ILE 75 7.820 -6.285 4.876 590 1HG1 ILE 75 HG11 ILE 75 7.681 -8.318 3.536 591 2HG1 ILE 75 HG12 ILE 75 9.196 -7.504 3.160 592 1HG2 ILE 75 HG22 ILE 75 10.214 -7.207 6.376 593 2HG2 ILE 75 HG23 ILE 75 10.510 -6.617 4.740 594 3HG2 ILE 75 HG21 ILE 75 9.726 -5.573 5.926 595 1HD1 ILE 75 HD1 ILE 75 10.288 -8.994 4.915 596 2HD1 ILE 75 HD3 ILE 75 8.787 -9.920 4.938 597 3HD1 ILE 75 HD2 ILE 75 9.738 -9.820 3.456 598 HA PRO 76 HA PRO 76 7.385 -6.523 10.174 599 1HB PRO 76 HB2 PRO 76 9.249 -8.280 11.498 600 2HB PRO 76 HB1 PRO 76 7.489 -8.152 11.713 601 1HG PRO 76 HG2 PRO 76 8.899 -10.280 10.437 602 2HG PRO 76 HG1 PRO 76 7.146 -10.053 10.498 603 1HD PRO 76 HD2 PRO 76 8.948 -9.667 8.232 604 2HD PRO 76 HD1 PRO 76 7.172 -9.640 8.254 605 H GLY 77 HN GLY 77 10.135 -7.073 8.346 606 1HA GLY 77 HA2 GLY 77 11.966 -5.520 10.041 607 2HA GLY 77 HA1 GLY 77 12.321 -6.131 8.409 608 H THR 78 HN THR 78 9.295 -4.665 8.458 609 HA THR 78 HA THR 78 10.203 -2.433 6.828 610 HB THR 78 HB THR 78 8.055 -3.377 6.310 611 HG1 THR 78 HG1 THR 78 7.364 -1.458 5.982 612 1HG2 THR 78 HG21 THR 78 7.866 -3.694 9.119 613 2HG2 THR 78 HG22 THR 78 6.529 -2.650 8.640 614 3HG2 THR 78 HG23 THR 78 6.717 -4.237 7.897 615 H LYS 79 HN LYS 79 9.151 -0.191 7.503 616 HA LYS 79 HA LYS 79 9.755 0.272 10.394 617 1HB LYS 79 HB2 LYS 79 11.388 1.160 8.496 618 2HB LYS 79 HB1 LYS 79 10.173 2.431 8.358 619 1HG LYS 79 HG1 LYS 79 10.550 3.216 10.518 620 2HG LYS 79 HG2 LYS 79 11.187 1.670 11.078 621 1HD LYS 79 HD2 LYS 79 13.102 2.122 9.356 622 2HD LYS 79 HD1 LYS 79 12.554 3.796 9.442 623 1HE LYS 79 HE1 LYS 79 12.645 3.057 12.103 624 2HE LYS 79 HE2 LYS 79 14.032 2.207 11.423 625 1HZ LYS 79 HZ2 LYS 79 13.796 4.884 10.443 626 2HZ LYS 79 HZ1 LYS 79 13.955 4.835 12.133 627 3HZ LYS 79 HZ3 LYS 79 15.129 4.104 11.148 628 H MET 80 HN MET 80 7.177 -0.206 8.913 629 HA MET 80 HA MET 80 5.837 2.316 9.781 630 1HB MET 80 HB2 MET 80 4.372 2.272 7.876 631 2HB MET 80 HB1 MET 80 6.024 2.169 7.272 632 1HG MET 80 HG2 MET 80 5.646 0.143 6.346 633 2HG MET 80 HG1 MET 80 4.937 -0.475 7.836 634 1HE MET 80 HE3 MET 80 2.651 -0.209 8.599 635 2HE MET 80 HE2 MET 80 2.475 1.529 8.354 636 3HE MET 80 HE1 MET 80 1.268 0.419 7.703 637 H ILE 81 HN ILE 81 3.707 2.039 10.559 638 HA ILE 81 HA ILE 81 2.660 -0.702 10.760 639 HB ILE 81 HB ILE 81 3.886 0.712 13.007 640 1HG1 ILE 81 HG12 ILE 81 3.192 -2.044 12.079 641 2HG1 ILE 81 HG11 ILE 81 4.738 -1.414 12.640 642 1HG2 ILE 81 HG21 ILE 81 1.106 -0.480 13.311 643 2HG2 ILE 81 HG22 ILE 81 2.172 -0.072 14.656 644 3HG2 ILE 81 HG23 ILE 81 1.556 1.201 13.602 645 1HD1 ILE 81 HD1 ILE 81 3.237 -1.216 14.909 646 2HD1 ILE 81 HD2 ILE 81 2.535 -2.652 14.169 647 3HD1 ILE 81 HD3 ILE 81 4.262 -2.597 14.526 648 H PHE 82 HN PHE 82 0.454 -0.743 10.944 649 HA PHE 82 HA PHE 82 -1.203 1.386 11.791 650 1HB PHE 82 HB2 PHE 82 -0.588 2.764 9.988 651 2HB PHE 82 HB1 PHE 82 -0.409 1.401 8.881 652 HD1 PHE 82 HD2 PHE 82 -2.420 0.238 7.983 653 HD2 PHE 82 HD1 PHE 82 -2.753 3.798 10.364 654 HE1 PHE 82 HE2 PHE 82 -4.776 0.492 7.270 655 HE2 PHE 82 HE1 PHE 82 -5.114 4.053 9.642 656 HZ PHE 82 HZ PHE 82 -6.125 2.391 8.093 657 H ALA 83 HN ALA 83 -2.703 -0.047 12.539 658 HA ALA 83 HA ALA 83 -3.536 -2.264 10.732 659 1HB ALA 83 HB3 ALA 83 -2.722 -2.516 13.250 660 2HB ALA 83 HB1 ALA 83 -4.403 -2.106 13.593 661 3HB ALA 83 HB2 ALA 83 -4.023 -3.524 12.615 662 H GLY 84 HN GLY 84 -4.802 -0.493 9.553 663 1HA GLY 84 HA2 GLY 84 -7.313 0.211 11.009 664 2HA GLY 84 HA1 GLY 84 -6.685 1.096 9.623 665 H ILE 85 HN ILE 85 -6.547 -0.286 7.533 666 HA ILE 85 HA ILE 85 -9.156 -1.598 7.215 667 HB ILE 85 HB ILE 85 -7.044 -1.363 5.069 668 1HG1 ILE 85 HG11 ILE 85 -9.123 0.741 5.255 669 2HG1 ILE 85 HG12 ILE 85 -7.843 0.823 6.484 670 1HG2 ILE 85 HG22 ILE 85 -9.690 -2.364 5.193 671 2HG2 ILE 85 HG23 ILE 85 -9.767 -0.851 4.290 672 3HG2 ILE 85 HG21 ILE 85 -8.691 -2.142 3.756 673 1HD1 ILE 85 HD1 ILE 85 -6.528 0.237 4.062 674 2HD1 ILE 85 HD2 ILE 85 -7.712 1.483 3.661 675 3HD1 ILE 85 HD3 ILE 85 -6.520 1.776 4.927 676 H LYS 86 HN LYS 86 -7.787 -3.181 8.914 677 HA LYS 86 HA LYS 86 -6.293 -5.226 7.425 678 1HB LYS 86 HB2 LYS 86 -5.496 -4.739 9.642 679 2HB LYS 86 HB1 LYS 86 -7.104 -4.955 10.330 680 1HG LYS 86 HG1 LYS 86 -7.036 -7.353 9.610 681 2HG LYS 86 HG2 LYS 86 -5.375 -7.107 9.074 682 1HD LYS 86 HD1 LYS 86 -4.835 -7.736 11.195 683 2HD LYS 86 HD2 LYS 86 -5.286 -6.083 11.615 684 1HE LYS 86 HE1 LYS 86 -7.504 -6.754 12.233 685 2HE LYS 86 HE2 LYS 86 -7.281 -8.358 11.536 686 1HZ LYS 86 HZ2 LYS 86 -5.382 -8.568 13.196 687 2HZ LYS 86 HZ1 LYS 86 -6.072 -7.231 13.983 688 3HZ LYS 86 HZ3 LYS 86 -6.965 -8.664 13.804 689 H LYS 87 HN LYS 87 -9.552 -4.586 8.131 690 HA LYS 87 HA LYS 87 -10.724 -7.064 8.649 691 1HB LYS 87 HB2 LYS 87 -11.651 -4.832 6.825 692 2HB LYS 87 HB1 LYS 87 -12.659 -6.222 7.232 693 1HG LYS 87 HG2 LYS 87 -11.961 -5.566 9.712 694 2HG LYS 87 HG1 LYS 87 -11.728 -3.978 8.979 695 1HD LYS 87 HD1 LYS 87 -13.974 -3.724 8.488 696 2HD LYS 87 HD2 LYS 87 -14.246 -5.460 8.340 697 1HE LYS 87 HE2 LYS 87 -14.026 -5.703 10.788 698 2HE LYS 87 HE1 LYS 87 -13.759 -3.966 10.936 699 1HZ LYS 87 HZ2 LYS 87 -16.039 -4.170 9.457 700 2HZ LYS 87 HZ3 LYS 87 -16.206 -5.406 10.610 701 3HZ LYS 87 HZ1 LYS 87 -15.953 -3.804 11.113 702 H LYS 88 HN LYS 88 -11.471 -6.182 5.366 703 HA LYS 88 HA LYS 88 -9.653 -7.862 3.975 704 1HB LYS 88 HB2 LYS 88 -10.916 -9.560 5.461 705 2HB LYS 88 HB1 LYS 88 -12.290 -9.271 4.394 706 1HG LYS 88 HG2 LYS 88 -10.596 -9.727 2.469 707 2HG LYS 88 HG1 LYS 88 -9.608 -10.468 3.728 708 1HD LYS 88 HD1 LYS 88 -12.478 -11.249 3.662 709 2HD LYS 88 HD2 LYS 88 -11.469 -11.847 2.345 710 1HE LYS 88 HE2 LYS 88 -10.209 -13.175 3.734 711 2HE LYS 88 HE1 LYS 88 -10.342 -12.059 5.092 712 1HZ LYS 88 HZ1 LYS 88 -12.688 -12.741 5.307 713 2HZ LYS 88 HZ2 LYS 88 -12.440 -13.907 4.098 714 3HZ LYS 88 HZ3 LYS 88 -11.599 -14.018 5.570 715 H THR 89 HN THR 89 -13.223 -7.819 3.716 716 HA THR 89 HA THR 89 -13.454 -7.442 0.993 717 HB THR 89 HB THR 89 -15.528 -6.040 1.535 718 HG1 THR 89 HG1 THR 89 -15.972 -5.683 3.630 719 1HG2 THR 89 HG21 THR 89 -15.292 -8.628 1.437 720 2HG2 THR 89 HG23 THR 89 -15.410 -8.547 3.195 721 3HG2 THR 89 HG22 THR 89 -16.731 -7.945 2.194 722 H GLU 90 HN GLU 90 -13.533 -4.666 3.256 723 HA GLU 90 HA GLU 90 -13.175 -2.643 1.354 724 1HB GLU 90 HB2 GLU 90 -12.102 -2.811 4.187 725 2HB GLU 90 HB1 GLU 90 -12.112 -1.335 3.219 726 1HG GLU 90 HG1 GLU 90 -14.545 -1.425 3.038 727 2HG GLU 90 HG2 GLU 90 -14.578 -2.963 3.901 728 H ARG 91 HN ARG 91 -10.679 -4.570 3.040 729 HA ARG 91 HA ARG 91 -8.357 -3.362 2.149 730 1HB ARG 91 HB2 ARG 91 -8.776 -6.356 2.010 731 2HB ARG 91 HB1 ARG 91 -7.267 -5.496 2.318 732 1HG ARG 91 HG2 ARG 91 -8.436 -4.508 4.377 733 2HG ARG 91 HG1 ARG 91 -9.677 -5.731 4.125 734 1HD ARG 91 HD2 ARG 91 -7.132 -6.021 5.413 735 2HD ARG 91 HD1 ARG 91 -8.394 -7.232 5.208 736 HE ARG 91 HE ARG 91 -6.173 -6.785 3.257 737 1HH1 ARG 91 HH21 ARG 91 -8.743 -8.189 2.358 738 2HH1 ARG 91 HH22 ARG 91 -8.293 -9.850 2.551 739 1HH2 ARG 91 HH11 ARG 91 -5.538 -9.149 4.535 740 2HH2 ARG 91 HH12 ARG 91 -6.479 -10.393 3.783 741 H GLU 92 HN GLU 92 -10.143 -5.869 0.308 742 HA GLU 92 HA GLU 92 -8.605 -5.806 -2.035 743 1HB GLU 92 HB2 GLU 92 -11.098 -6.876 -1.265 744 2HB GLU 92 HB1 GLU 92 -11.422 -5.909 -2.705 745 1HG GLU 92 HG1 GLU 92 -9.598 -7.074 -3.896 746 2HG GLU 92 HG2 GLU 92 -9.284 -8.048 -2.459 747 H ASP 93 HN ASP 93 -11.483 -3.805 -1.293 748 HA ASP 93 HA ASP 93 -11.572 -2.216 -3.579 749 1HB ASP 93 HB2 ASP 93 -11.832 -1.121 -0.766 750 2HB ASP 93 HB1 ASP 93 -12.597 -0.497 -2.227 751 H LEU 94 HN LEU 94 -9.492 -1.777 -0.742 752 HA LEU 94 HA LEU 94 -8.171 0.592 -1.468 753 1HB LEU 94 HB2 LEU 94 -7.937 -1.262 0.554 754 2HB LEU 94 HB1 LEU 94 -6.423 -1.486 -0.324 755 HG LEU 94 HG LEU 94 -7.501 1.144 0.696 756 1HD1 LEU 94 HD11 LEU 94 -6.568 -0.551 2.370 757 2HD1 LEU 94 HD12 LEU 94 -5.013 -0.316 1.572 758 3HD1 LEU 94 HD13 LEU 94 -5.811 1.043 2.364 759 1HD2 LEU 94 HD23 LEU 94 -5.591 0.510 -1.353 760 2HD2 LEU 94 HD22 LEU 94 -6.086 2.099 -0.773 761 3HD2 LEU 94 HD21 LEU 94 -4.748 1.254 0.004 762 H ILE 95 HN ILE 95 -7.113 -2.745 -2.133 763 HA ILE 95 HA ILE 95 -4.867 -2.053 -3.713 764 HB ILE 95 HB ILE 95 -6.567 -4.474 -3.331 765 1HG1 ILE 95 HG12 ILE 95 -3.751 -4.940 -3.586 766 2HG1 ILE 95 HG11 ILE 95 -3.997 -3.490 -2.614 767 1HG2 ILE 95 HG21 ILE 95 -5.198 -3.904 -5.900 768 2HG2 ILE 95 HG22 ILE 95 -4.820 -5.465 -5.175 769 3HG2 ILE 95 HG23 ILE 95 -6.492 -5.046 -5.543 770 1HD1 ILE 95 HD3 ILE 95 -5.945 -5.267 -1.693 771 2HD1 ILE 95 HD2 ILE 95 -4.520 -6.277 -1.936 772 3HD1 ILE 95 HD1 ILE 95 -4.433 -4.868 -0.879 773 H ALA 96 HN ALA 96 -7.790 -3.479 -5.240 774 HA ALA 96 HA ALA 96 -7.413 -2.745 -7.841 775 1HB ALA 96 HB3 ALA 96 -9.807 -3.035 -6.156 776 2HB ALA 96 HB1 ALA 96 -10.056 -2.022 -7.578 777 3HB ALA 96 HB2 ALA 96 -9.480 -3.678 -7.766 778 H TYR 97 HN TYR 97 -9.152 -0.499 -5.643 779 HA TYR 97 HA TYR 97 -9.340 1.737 -7.227 780 1HB TYR 97 HB2 TYR 97 -10.090 2.331 -5.162 781 2HB TYR 97 HB1 TYR 97 -8.993 1.241 -4.346 782 HD1 TYR 97 HD2 TYR 97 -9.251 4.604 -5.930 783 HD2 TYR 97 HD1 TYR 97 -6.970 2.014 -3.388 784 HE1 TYR 97 HE2 TYR 97 -7.789 6.507 -5.289 785 HE2 TYR 97 HE1 TYR 97 -5.516 3.892 -2.757 786 HH TYR 97 HH TYR 97 -5.930 7.114 -4.218 787 H LEU 98 HN LEU 98 -6.572 1.209 -5.111 788 HA LEU 98 HA LEU 98 -4.796 3.138 -6.043 789 1HB LEU 98 HB2 LEU 98 -4.709 1.136 -4.237 790 2HB LEU 98 HB1 LEU 98 -3.648 0.454 -5.476 791 HG LEU 98 HG LEU 98 -2.171 1.660 -4.092 792 1HD1 LEU 98 HD22 LEU 98 -3.031 3.467 -6.358 793 2HD1 LEU 98 HD23 LEU 98 -1.594 3.755 -5.380 794 3HD1 LEU 98 HD21 LEU 98 -1.717 2.293 -6.358 795 1HD2 LEU 98 HD12 LEU 98 -4.023 2.791 -2.824 796 2HD2 LEU 98 HD11 LEU 98 -2.627 3.823 -3.134 797 3HD2 LEU 98 HD13 LEU 98 -4.087 4.000 -4.107 798 H LYS 99 HN LYS 99 -5.160 -0.171 -7.310 799 HA LYS 99 HA LYS 99 -3.174 -0.390 -9.154 800 1HB LYS 99 HB2 LYS 99 -4.902 -2.096 -8.862 801 2HB LYS 99 HB1 LYS 99 -6.091 -1.043 -9.628 802 1HG LYS 99 HG1 LYS 99 -4.469 -0.997 -11.641 803 2HG LYS 99 HG2 LYS 99 -3.700 -2.390 -10.881 804 1HD LYS 99 HD2 LYS 99 -6.292 -3.158 -10.731 805 2HD LYS 99 HD1 LYS 99 -6.356 -2.172 -12.192 806 1HE LYS 99 HE1 LYS 99 -4.663 -3.491 -13.260 807 2HE LYS 99 HE2 LYS 99 -4.266 -4.318 -11.754 808 1HZ LYS 99 HZ2 LYS 99 -6.542 -5.228 -11.757 809 2HZ LYS 99 HZ3 LYS 99 -6.803 -4.527 -13.281 810 3HZ LYS 99 HZ1 LYS 99 -5.627 -5.737 -13.094 811 H LYS 100 HN LYS 100 -6.272 1.267 -9.841 812 HA LYS 100 HA LYS 100 -4.989 2.456 -12.248 813 1HB LYS 100 HB2 LYS 100 -7.725 1.798 -11.435 814 2HB LYS 100 HB1 LYS 100 -7.590 3.401 -12.157 815 1HG LYS 100 HG1 LYS 100 -6.520 2.483 -14.133 816 2HG LYS 100 HG2 LYS 100 -6.451 0.881 -13.399 817 1HD LYS 100 HD1 LYS 100 -8.651 0.452 -13.828 818 2HD LYS 100 HD2 LYS 100 -9.143 2.108 -13.476 819 1HE LYS 100 HE2 LYS 100 -8.626 2.855 -15.642 820 2HE LYS 100 HE1 LYS 100 -7.549 1.494 -15.956 821 1HZ LYS 100 HZ2 LYS 100 -10.446 1.119 -15.500 822 2HZ LYS 100 HZ1 LYS 100 -9.819 1.442 -17.045 823 3HZ LYS 100 HZ3 LYS 100 -9.341 0.042 -16.211 824 H ALA 101 HN ALA 101 -5.528 3.298 -9.007 825 HA ALA 101 HA ALA 101 -6.129 6.104 -9.365 826 1HB ALA 101 HB3 ALA 101 -6.476 4.787 -7.227 827 2HB ALA 101 HB1 ALA 101 -4.727 4.818 -7.006 828 3HB ALA 101 HB2 ALA 101 -5.642 6.326 -7.013 829 H THR 102 HN THR 102 -3.129 4.390 -8.478 830 HA THR 102 HA THR 102 -1.556 6.785 -9.002 831 HB THR 102 HB THR 102 -1.167 4.196 -7.744 832 HG1 THR 102 HG1 THR 102 -0.266 6.818 -7.645 833 1HG2 THR 102 HG23 THR 102 0.240 3.873 -9.839 834 2HG2 THR 102 HG22 THR 102 1.212 5.243 -9.298 835 3HG2 THR 102 HG21 THR 102 1.126 3.780 -8.316 836 H ASN 103 HN ASN 103 -3.158 4.976 -11.105 837 HA ASN 103 HA ASN 103 -0.955 4.576 -13.039 838 1HB ASN 103 HB2 ASN 103 -3.336 3.240 -12.639 839 2HB ASN 103 HB1 ASN 103 -3.739 4.309 -13.983 840 1HD2 ASN 103 HD22 ASN 103 -2.294 1.868 -16.098 841 2HD2 ASN 103 HD21 ASN 103 -3.706 2.701 -15.655 842 H GLU 104 HN GLU 104 -2.520 7.137 -11.848 843 HA GLU 104 HA GLU 104 -3.757 8.660 -13.733 844 1HB GLU 104 HB2 GLU 104 -3.070 9.419 -11.446 845 2HB GLU 104 HB1 GLU 104 -1.430 9.645 -12.054 846 1HG GLU 104 HG1 GLU 104 -2.526 11.131 -13.875 847 2HG GLU 104 HG2 GLU 104 -3.935 11.147 -12.813 848 HHA HEC 105 HHA HEM 105 6.179 -0.584 2.459 849 HHB HEC 105 HHB HEM 105 -0.023 -1.123 1.378 850 HHC HEC 105 HHC HEM 105 -1.164 2.846 6.166 851 HHD HEC 105 HHD HEM 105 4.879 4.555 5.804 852 1HMA HEC 105 HMA1 HEM 105 2.468 -3.346 -0.134 853 2HMA HEC 105 HMA2 HEM 105 1.993 -1.886 -1.034 854 3HMA HEC 105 HMA3 HEM 105 0.906 -2.562 0.203 855 1HAA HEC 105 HAA1 HEM 105 4.608 -2.609 -0.416 856 2HAA HEC 105 HAA2 HEM 105 5.505 -2.845 1.096 857 1HBA HEC 105 HBA1 HEM 105 7.092 -1.491 0.279 858 2HBA HEC 105 HBA2 HEM 105 5.927 -0.148 0.369 859 1HMB HEC 105 HMB1 HEM 105 -3.181 -0.929 2.831 860 2HMB HEC 105 HMB2 HEM 105 -2.021 -0.971 1.481 861 3HMB HEC 105 HMB3 HEM 105 -3.118 0.418 1.669 862 HAB HEC 105 HAB HEM 105 -2.950 2.171 5.534 863 1HBB HEC 105 HBB1 HEM 105 -4.939 0.961 5.480 864 2HBB HEC 105 HBB2 HEM 105 -3.660 -0.272 5.397 865 3HBB HEC 105 HBB3 HEM 105 -4.543 0.195 3.924 866 1HMC HEC 105 HMC1 HEM 105 0.301 6.032 7.738 867 2HMC HEC 105 HMC2 HEM 105 -0.888 5.145 6.755 868 3HMC HEC 105 HMC3 HEM 105 -0.437 4.540 8.367 869 HAC HEC 105 HAC HEM 105 4.059 5.369 7.815 870 1HBC HEC 105 HBC1 HEM 105 1.991 5.061 9.499 871 2HBC HEC 105 HBC2 HEM 105 1.752 6.757 9.015 872 3HBC HEC 105 HBC3 HEM 105 3.299 6.246 9.730 873 1HMD HEC 105 HMD1 HEM 105 6.985 4.291 6.044 874 2HMD HEC 105 HMD2 HEM 105 8.169 3.904 4.772 875 3HMD HEC 105 HMD3 HEM 105 8.090 2.910 6.247 876 1HAD HEC 105 HAD1 HEM 105 7.928 0.499 2.573 877 2HAD HEC 105 HAD2 HEM 105 8.625 2.033 3.118 878 1HBD HEC 105 HBD1 HEM 105 9.624 -0.298 3.881 879 2HBD HEC 105 HBD2 HEM 105 8.344 -0.184 5.107 880 1H HOH 200 H1 HOH 200 -0.016 5.855 -1.463 881 2H HOH 200 H2 HOH 200 1.429 6.247 -1.685 882 1H HOH 201 H1 HOH 201 9.465 -3.839 2.930 883 2H HOH 201 H2 HOH 201 9.962 -4.631 4.119 884 1H HOH 202 H1 HOH 202 0.604 -3.018 13.055 885 2H HOH 202 H2 HOH 202 0.878 -3.065 11.567 886 1H HOH 203 H1 HOH 203 10.692 3.849 -3.677 887 2H HOH 203 H2 HOH 203 10.353 3.890 -2.202 888 1H HOH 204 H1 HOH 204 3.597 -7.963 -0.762 889 2H HOH 204 H2 HOH 204 4.243 -9.302 -1.049 890 1H HOH 205 H1 HOH 205 -3.492 -0.563 -2.679 891 2H HOH 205 H2 HOH 205 -2.771 0.532 -1.921 No H/Q in entry = 891
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