NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5155 | 1ght | 4269 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H MET 1 1HT MET 1 -2.488 15.506 4.218 2 HA MET 1 HA MET 1 -2.272 13.236 4.162 3 1HB MET 1 2HB MET 1 -0.344 14.342 5.328 4 2HB MET 1 1HB MET 1 -1.116 13.968 6.868 5 1HG MET 1 2HG MET 1 -1.190 11.520 5.940 6 2HG MET 1 1HG MET 1 0.075 12.086 4.849 7 1HE MET 1 1HE MET 1 0.981 9.792 6.417 8 2HE MET 1 2HE MET 1 -0.347 10.022 7.552 9 3HE MET 1 3HE MET 1 1.310 9.962 8.147 10 H ARG 2 H ARG 2 -3.088 11.234 4.773 11 HA ARG 2 HA ARG 2 -4.538 10.994 7.345 12 1HB ARG 2 2HB ARG 2 -5.798 11.069 4.654 13 2HB ARG 2 1HB ARG 2 -6.366 9.803 5.743 14 1HG ARG 2 2HG ARG 2 -7.374 11.284 7.150 15 2HG ARG 2 1HG ARG 2 -6.077 12.469 6.991 16 1HD ARG 2 2HD ARG 2 -6.969 12.904 4.628 17 2HD ARG 2 1HD ARG 2 -8.397 11.990 5.114 18 HE ARG 2 HE ARG 2 -8.125 13.848 7.132 19 1HH1 ARG 2 1HH2 ARG 2 -8.265 14.058 3.643 20 2HH1 ARG 2 2HH2 ARG 2 -8.978 15.633 3.668 21 1HH2 ARG 2 1HH1 ARG 2 -9.047 15.883 7.116 22 2HH2 ARG 2 2HH1 ARG 2 -9.417 16.658 5.613 23 H LEU 3 H LEU 3 -5.305 8.637 7.604 24 HA LEU 3 HA LEU 3 -3.189 6.852 6.484 25 1HB LEU 3 2HB LEU 3 -4.930 6.421 8.930 26 2HB LEU 3 1HB LEU 3 -3.549 5.442 8.432 27 HG LEU 3 HG LEU 3 -2.361 7.863 8.500 28 1HD1 LEU 3 1HD1 LEU 3 -4.660 7.951 10.465 29 2HD1 LEU 3 2HD1 LEU 3 -4.238 9.145 9.237 30 3HD1 LEU 3 3HD1 LEU 3 -3.212 8.940 10.657 31 1HD2 LEU 3 1HD2 LEU 3 -2.868 6.106 10.924 32 2HD2 LEU 3 2HD2 LEU 3 -1.519 7.223 10.723 33 3HD2 LEU 3 3HD2 LEU 3 -1.649 5.800 9.688 34 H PHE 4 H PHE 4 -4.427 6.516 4.504 35 HA PHE 4 HA PHE 4 -7.073 5.254 4.691 36 1HB PHE 4 2HB PHE 4 -5.216 5.998 2.435 37 2HB PHE 4 1HB PHE 4 -6.597 4.941 2.144 38 HD1 PHE 4 1HD PHE 4 -5.543 8.324 3.187 39 HD2 PHE 4 2HD PHE 4 -8.875 5.765 2.289 40 HE1 PHE 4 1HE PHE 4 -7.042 10.300 3.118 41 HE2 PHE 4 2HE PHE 4 -10.373 7.741 2.222 42 HZ PHE 4 HZ PHE 4 -9.457 10.008 2.636 43 H GLY 5 H GLY 5 -7.490 3.045 4.286 44 1HA GLY 5 2HA GLY 5 -5.094 1.286 3.990 45 2HA GLY 5 1HA GLY 5 -6.306 0.943 5.221 46 H TYR 6 H TYR 6 -5.337 -0.196 2.417 47 HA TYR 6 HA TYR 6 -7.994 -0.505 1.132 48 1HB TYR 6 2HB TYR 6 -6.069 0.023 -0.312 49 2HB TYR 6 1HB TYR 6 -5.214 -1.395 0.287 50 HD1 TYR 6 1HD TYR 6 -8.739 -0.801 -0.894 51 HD2 TYR 6 2HD TYR 6 -5.098 -3.037 -1.337 52 HE1 TYR 6 1HE TYR 6 -9.808 -2.200 -2.643 53 HE2 TYR 6 2HE TYR 6 -6.166 -4.436 -3.082 54 HH TYR 6 HH TYR 6 -8.227 -3.981 -4.788 55 H ALA 7 H ALA 7 -9.121 -2.442 1.234 56 HA ALA 7 HA ALA 7 -7.731 -4.808 2.399 57 1HB ALA 7 1HB ALA 7 -10.017 -3.296 3.545 58 2HB ALA 7 2HB ALA 7 -8.783 -4.259 4.357 59 3HB ALA 7 3HB ALA 7 -10.154 -5.054 3.584 60 H ARG 8 H ARG 8 -8.854 -6.822 1.981 61 HA ARG 8 HA ARG 8 -11.131 -6.854 0.134 62 1HB ARG 8 2HB ARG 8 -9.167 -6.541 -1.393 63 2HB ARG 8 1HB ARG 8 -8.467 -8.025 -0.743 64 1HG ARG 8 2HG ARG 8 -10.010 -9.379 -1.793 65 2HG ARG 8 1HG ARG 8 -11.280 -8.158 -1.728 66 1HD ARG 8 2HD ARG 8 -10.645 -8.363 -4.031 67 2HD ARG 8 1HD ARG 8 -9.955 -6.846 -3.453 68 HE ARG 8 HE ARG 8 -7.911 -8.624 -3.020 69 1HH1 ARG 8 1HH2 ARG 8 -9.910 -7.919 -5.805 70 2HH1 ARG 8 2HH2 ARG 8 -8.679 -8.381 -6.927 71 1HH2 ARG 8 1HH1 ARG 8 -6.347 -9.201 -4.512 72 2HH2 ARG 8 2HH1 ARG 8 -6.686 -9.096 -6.207 73 H VAL 9 H VAL 9 -12.327 -8.657 0.649 74 HA VAL 9 HA VAL 9 -11.187 -10.503 2.618 75 HB VAL 9 HB VAL 9 -13.460 -11.423 2.780 76 1HG1 VAL 9 1HG1 VAL 9 -13.807 -8.444 2.605 77 2HG1 VAL 9 2HG1 VAL 9 -12.692 -9.130 3.785 78 3HG1 VAL 9 3HG1 VAL 9 -14.401 -9.563 3.833 79 1HG2 VAL 9 1HG2 VAL 9 -14.561 -11.423 0.775 80 2HG2 VAL 9 2HG2 VAL 9 -13.751 -9.963 0.214 81 3HG2 VAL 9 3HG2 VAL 9 -15.123 -9.840 1.314 82 H SER 10 H SER 10 -10.908 -12.707 2.370 83 HA SER 10 HA SER 10 -11.036 -13.740 -0.435 84 1HB SER 10 2HB SER 10 -8.717 -13.342 0.777 85 2HB SER 10 1HB SER 10 -9.117 -14.854 1.587 86 HG SER 10 HG SER 10 -8.636 -15.854 -0.188 87 H THR 11 H THR 11 -11.309 -14.514 3.023 88 HA THR 11 HA THR 11 -12.411 -17.173 2.445 89 HB THR 11 HB THR 11 -10.995 -16.882 4.436 90 HG1 THR 11 1HG THR 11 -12.215 -18.228 5.478 91 1HG2 THR 11 1HG2 THR 11 -13.154 -14.935 5.291 92 2HG2 THR 11 2HG2 THR 11 -11.457 -14.563 4.984 93 3HG2 THR 11 3HG2 THR 11 -11.904 -15.561 6.365 94 H SER 12 H SER 12 -14.559 -17.726 3.632 95 HA SER 12 HA SER 12 -16.498 -15.514 3.086 96 1HB SER 12 2HB SER 12 -16.590 -18.468 2.602 97 2HB SER 12 1HB SER 12 -18.098 -17.629 2.949 98 HG SER 12 HG SER 12 -17.034 -17.789 0.652 99 H GLN 13 H GLN 13 -15.443 -15.353 5.547 100 HA GLN 13 HA GLN 13 -17.624 -16.400 7.301 101 1HB GLN 13 2HB GLN 13 -15.510 -17.722 7.611 102 2HB GLN 13 1HB GLN 13 -14.697 -16.230 8.082 103 1HG GLN 13 2HG GLN 13 -16.012 -15.991 10.034 104 2HG GLN 13 1HG GLN 13 -17.223 -17.137 9.460 105 1HE2 GLN 13 1HE2 GLN 13 -16.942 -18.516 11.370 106 2HE2 GLN 13 2HE2 GLN 13 -15.550 -19.466 11.566 107 H GLN 14 H GLN 14 -14.809 -14.196 7.333 108 HA GLN 14 HA GLN 14 -16.371 -11.824 7.713 109 1HB GLN 14 2HB GLN 14 -15.711 -11.370 10.091 110 2HB GLN 14 1HB GLN 14 -16.832 -12.722 9.933 111 1HG GLN 14 2HG GLN 14 -14.902 -14.294 9.993 112 2HG GLN 14 1HG GLN 14 -13.823 -12.922 10.250 113 1HE2 GLN 14 1HE2 GLN 14 -14.334 -15.156 12.149 114 2HE2 GLN 14 2HE2 GLN 14 -14.958 -14.442 13.557 115 H SER 15 H SER 15 -14.211 -12.657 6.103 116 HA SER 15 HA SER 15 -11.635 -11.906 7.007 117 1HB SER 15 2HB SER 15 -11.964 -11.169 4.242 118 2HB SER 15 1HB SER 15 -11.079 -12.527 4.920 119 HG SER 15 HG SER 15 -12.762 -13.223 3.559 120 H LEU 16 H LEU 16 -14.300 -9.911 5.796 121 HA LEU 16 HA LEU 16 -12.828 -7.496 5.399 122 1HB LEU 16 2HB LEU 16 -15.070 -7.626 4.554 123 2HB LEU 16 1HB LEU 16 -15.725 -8.002 6.142 124 HG LEU 16 HG LEU 16 -14.216 -5.480 6.102 125 1HD1 LEU 16 1HD1 LEU 16 -16.808 -5.583 4.540 126 2HD1 LEU 16 2HD1 LEU 16 -15.220 -5.543 3.776 127 3HD1 LEU 16 3HD1 LEU 16 -15.752 -4.192 4.776 128 1HD2 LEU 16 1HD2 LEU 16 -16.662 -4.824 6.961 129 2HD2 LEU 16 2HD2 LEU 16 -15.531 -5.705 7.989 130 3HD2 LEU 16 3HD2 LEU 16 -16.802 -6.575 7.128 131 H ASP 17 H ASP 17 -14.396 -8.849 8.296 132 HA ASP 17 HA ASP 17 -13.775 -6.626 10.021 133 1HB ASP 17 2HB ASP 17 -15.321 -8.824 10.313 134 2HB ASP 17 1HB ASP 17 -13.883 -9.368 11.174 135 H ILE 18 H ILE 18 -12.202 -9.777 9.475 136 HA ILE 18 HA ILE 18 -9.970 -9.363 11.198 137 HB ILE 18 HB ILE 18 -10.073 -10.984 8.630 138 1HG1 ILE 18 2HG1 ILE 18 -10.411 -12.239 11.308 139 2HG1 ILE 18 1HG1 ILE 18 -11.777 -11.302 10.706 140 1HG2 ILE 18 1HG2 ILE 18 -7.798 -10.671 9.483 141 2HG2 ILE 18 2HG2 ILE 18 -8.318 -12.331 9.775 142 3HG2 ILE 18 3HG2 ILE 18 -8.312 -11.163 11.096 143 1HD1 ILE 18 1HD1 ILE 18 -12.192 -12.754 8.980 144 2HD1 ILE 18 2HD1 ILE 18 -11.414 -13.897 10.073 145 3HD1 ILE 18 3HD1 ILE 18 -10.487 -13.154 8.770 146 H GLN 19 H GLN 19 -10.510 -8.532 7.790 147 HA GLN 19 HA GLN 19 -7.843 -7.645 7.228 148 1HB GLN 19 2HB GLN 19 -10.540 -7.141 6.006 149 2HB GLN 19 1HB GLN 19 -9.161 -6.177 5.484 150 1HG GLN 19 2HG GLN 19 -8.691 -9.103 5.658 151 2HG GLN 19 1HG GLN 19 -9.791 -8.576 4.383 152 1HE2 GLN 19 1HE2 GLN 19 -6.515 -9.035 5.089 153 2HE2 GLN 19 2HE2 GLN 19 -5.854 -8.057 3.869 154 H VAL 20 H VAL 20 -10.782 -5.772 8.076 155 HA VAL 20 HA VAL 20 -9.660 -3.207 8.256 156 HB VAL 20 HB VAL 20 -11.745 -4.413 10.101 157 1HG1 VAL 20 1HG1 VAL 20 -10.728 -1.649 9.634 158 2HG1 VAL 20 2HG1 VAL 20 -11.339 -2.387 11.115 159 3HG1 VAL 20 3HG1 VAL 20 -12.465 -1.848 9.870 160 1HG2 VAL 20 1HG2 VAL 20 -12.521 -2.683 7.822 161 2HG2 VAL 20 2HG2 VAL 20 -13.295 -4.139 8.445 162 3HG2 VAL 20 3HG2 VAL 20 -11.895 -4.272 7.384 163 H ARG 21 H ARG 21 -9.852 -5.659 10.855 164 HA ARG 21 HA ARG 21 -8.444 -4.182 12.849 165 1HB ARG 21 2HB ARG 21 -8.213 -7.180 12.481 166 2HB ARG 21 1HB ARG 21 -8.129 -6.266 13.984 167 1HG ARG 21 2HG ARG 21 -10.638 -5.652 12.763 168 2HG ARG 21 1HG ARG 21 -10.441 -7.402 12.705 169 1HD ARG 21 2HD ARG 21 -11.368 -7.162 14.816 170 2HD ARG 21 1HD ARG 21 -9.653 -7.074 15.213 171 HE ARG 21 HE ARG 21 -10.383 -4.438 14.713 172 1HH1 ARG 21 1HH2 ARG 21 -11.479 -6.970 16.863 173 2HH1 ARG 21 2HH2 ARG 21 -11.994 -5.853 18.078 174 1HH2 ARG 21 1HH1 ARG 21 -11.062 -3.029 16.313 175 2HH2 ARG 21 2HH1 ARG 21 -11.763 -3.646 17.772 176 H ALA 22 H ALA 22 -7.354 -6.044 10.079 177 HA ALA 22 HA ALA 22 -4.555 -6.103 10.816 178 1HB ALA 22 1HB ALA 22 -5.430 -6.160 7.953 179 2HB ALA 22 2HB ALA 22 -5.934 -7.483 9.006 180 3HB ALA 22 3HB ALA 22 -4.219 -7.147 8.772 181 H LEU 23 H LEU 23 -6.586 -3.951 8.836 182 HA LEU 23 HA LEU 23 -4.385 -2.268 7.985 183 1HB LEU 23 2HB LEU 23 -7.214 -1.254 8.243 184 2HB LEU 23 1HB LEU 23 -5.999 -0.828 7.047 185 HG LEU 23 HG LEU 23 -7.581 -3.406 7.218 186 1HD1 LEU 23 1HD1 LEU 23 -7.872 -2.517 4.704 187 2HD1 LEU 23 2HD1 LEU 23 -7.578 -0.975 5.509 188 3HD1 LEU 23 3HD1 LEU 23 -8.926 -1.992 6.017 189 1HD2 LEU 23 1HD2 LEU 23 -5.212 -2.690 5.463 190 2HD2 LEU 23 2HD2 LEU 23 -6.309 -4.029 5.124 191 3HD2 LEU 23 3HD2 LEU 23 -5.329 -4.042 6.590 192 H LYS 24 H LYS 24 -6.808 -2.066 10.592 193 HA LYS 24 HA LYS 24 -5.946 0.442 11.658 194 1HB LYS 24 2HB LYS 24 -7.808 -1.633 12.365 195 2HB LYS 24 1HB LYS 24 -6.857 -1.236 13.794 196 1HG LYS 24 2HG LYS 24 -8.576 0.335 13.928 197 2HG LYS 24 1HG LYS 24 -7.332 1.248 13.075 198 1HD LYS 24 2HD LYS 24 -9.291 1.609 11.796 199 2HD LYS 24 1HD LYS 24 -8.421 0.356 10.911 200 1HE LYS 24 2HE LYS 24 -10.859 -0.152 11.190 201 2HE LYS 24 1HE LYS 24 -9.808 -1.378 11.900 202 1HZ LYS 24 1HZ LYS 24 -11.780 -0.437 13.260 203 2HZ LYS 24 2HZ LYS 24 -10.738 0.873 13.547 204 3HZ LYS 24 3HZ LYS 24 -10.288 -0.695 14.024 205 H ASP 25 H ASP 25 -4.993 -2.904 12.450 206 HA ASP 25 HA ASP 25 -3.138 -2.284 14.514 207 1HB ASP 25 2HB ASP 25 -4.040 -4.583 13.570 208 2HB ASP 25 1HB ASP 25 -2.606 -4.490 12.559 209 H ALA 26 H ALA 26 -2.927 -2.282 11.022 210 HA ALA 26 HA ALA 26 -0.077 -1.902 10.813 211 1HB ALA 26 1HB ALA 26 -1.818 -2.664 9.030 212 2HB ALA 26 2HB ALA 26 -0.503 -1.610 8.511 213 3HB ALA 26 3HB ALA 26 -2.108 -0.940 8.804 214 H GLY 27 H GLY 27 -2.867 0.224 11.157 215 1HA GLY 27 2HA GLY 27 -2.293 2.396 12.368 216 2HA GLY 27 1HA GLY 27 -1.023 2.583 11.154 217 H VAL 28 H VAL 28 -4.372 1.463 10.818 218 HA VAL 28 HA VAL 28 -4.825 3.673 8.856 219 HB VAL 28 HB VAL 28 -5.922 0.841 8.870 220 1HG1 VAL 28 1HG1 VAL 28 -6.213 2.805 6.609 221 2HG1 VAL 28 2HG1 VAL 28 -7.377 2.815 7.932 222 3HG1 VAL 28 3HG1 VAL 28 -7.168 1.364 6.956 223 1HG2 VAL 28 1HG2 VAL 28 -3.439 1.605 8.108 224 2HG2 VAL 28 2HG2 VAL 28 -4.322 1.909 6.612 225 3HG2 VAL 28 3HG2 VAL 28 -4.329 0.296 7.327 226 H LYS 29 H LYS 29 -6.832 4.733 8.971 227 HA LYS 29 HA LYS 29 -8.205 4.540 11.563 228 1HB LYS 29 2HB LYS 29 -7.876 6.523 9.475 229 2HB LYS 29 1HB LYS 29 -9.586 6.336 9.856 230 1HG LYS 29 2HG LYS 29 -9.345 7.166 11.974 231 2HG LYS 29 1HG LYS 29 -7.747 6.448 12.184 232 1HD LYS 29 2HD LYS 29 -6.664 8.263 11.307 233 2HD LYS 29 1HD LYS 29 -7.951 8.603 10.150 234 1HE LYS 29 2HE LYS 29 -9.262 9.729 11.757 235 2HE LYS 29 1HE LYS 29 -8.367 9.028 13.106 236 1HZ LYS 29 1HZ LYS 29 -7.878 11.437 12.434 237 2HZ LYS 29 2HZ LYS 29 -7.016 10.759 11.136 238 3HZ LYS 29 3HZ LYS 29 -6.565 10.407 12.736 239 H ALA 30 H ALA 30 -10.297 3.757 11.866 240 HA ALA 30 HA ALA 30 -11.308 1.804 10.037 241 1HB ALA 30 1HB ALA 30 -12.262 3.086 12.545 242 2HB ALA 30 2HB ALA 30 -12.146 1.377 12.129 243 3HB ALA 30 3HB ALA 30 -13.493 2.341 11.524 244 H ASN 31 H ASN 31 -11.984 5.231 10.474 245 HA ASN 31 HA ASN 31 -14.342 5.369 8.862 246 1HB ASN 31 2HB ASN 31 -12.798 7.149 10.357 247 2HB ASN 31 1HB ASN 31 -12.618 7.732 8.704 248 1HD2 ASN 31 1HD2 ASN 31 -15.262 6.497 10.835 249 2HD2 ASN 31 2HD2 ASN 31 -16.410 7.631 10.311 250 H ARG 32 H ARG 32 -10.938 5.148 8.082 251 HA ARG 32 HA ARG 32 -11.599 5.557 5.195 252 1HB ARG 32 2HB ARG 32 -8.777 5.564 6.239 253 2HB ARG 32 1HB ARG 32 -9.429 6.350 4.804 254 1HG ARG 32 2HG ARG 32 -10.797 7.805 6.438 255 2HG ARG 32 1HG ARG 32 -9.720 7.193 7.692 256 1HD ARG 32 2HD ARG 32 -8.053 8.559 7.037 257 2HD ARG 32 1HD ARG 32 -8.226 8.080 5.351 258 HE ARG 32 HE ARG 32 -9.477 10.035 4.993 259 1HH1 ARG 32 1HH2 ARG 32 -9.426 9.269 8.406 260 2HH1 ARG 32 2HH2 ARG 32 -10.244 10.727 8.849 261 1HH2 ARG 32 1HH1 ARG 32 -10.536 11.908 5.610 262 2HH2 ARG 32 2HH1 ARG 32 -10.867 12.207 7.284 263 H ILE 33 H ILE 33 -12.415 3.206 5.647 264 HA ILE 33 HA ILE 33 -10.141 1.311 5.194 265 HB ILE 33 HB ILE 33 -12.860 0.774 6.436 266 1HG1 ILE 33 2HG1 ILE 33 -11.276 2.033 7.882 267 2HG1 ILE 33 1HG1 ILE 33 -11.605 0.419 8.506 268 1HG2 ILE 33 1HG2 ILE 33 -11.252 -1.398 6.982 269 2HG2 ILE 33 2HG2 ILE 33 -10.776 -0.991 5.333 270 3HG2 ILE 33 3HG2 ILE 33 -12.464 -1.338 5.701 271 1HD1 ILE 33 1HD1 ILE 33 -9.208 0.870 8.644 272 2HD1 ILE 33 2HD1 ILE 33 -9.158 1.268 6.927 273 3HD1 ILE 33 3HD1 ILE 33 -9.497 -0.385 7.439 274 H PHE 34 H PHE 34 -10.238 1.662 2.891 275 HA PHE 34 HA PHE 34 -12.751 1.169 1.462 276 1HB PHE 34 2HB PHE 34 -9.938 1.860 0.681 277 2HB PHE 34 1HB PHE 34 -11.016 1.175 -0.537 278 HD1 PHE 34 1HD PHE 34 -13.181 2.311 -1.074 279 HD2 PHE 34 2HD PHE 34 -10.237 4.096 1.495 280 HE1 PHE 34 1HE PHE 34 -14.287 4.516 -1.339 281 HE2 PHE 34 2HE PHE 34 -11.342 6.300 1.229 282 HZ PHE 34 HZ PHE 34 -13.367 6.509 -0.184 283 H THR 35 H THR 35 -12.986 -0.992 2.515 284 HA THR 35 HA THR 35 -11.158 -3.131 1.747 285 HB THR 35 HB THR 35 -12.376 -3.271 3.860 286 HG1 THR 35 1HG THR 35 -12.848 -5.349 3.636 287 1HG2 THR 35 1HG2 THR 35 -15.003 -3.869 2.748 288 2HG2 THR 35 2HG2 THR 35 -14.506 -2.220 2.387 289 3HG2 THR 35 3HG2 THR 35 -14.569 -2.775 4.059 290 H ASP 36 H ASP 36 -12.354 -5.190 0.792 291 HA ASP 36 HA ASP 36 -14.156 -4.401 -1.446 292 1HB ASP 36 2HB ASP 36 -11.425 -5.609 -1.622 293 2HB ASP 36 1HB ASP 36 -12.651 -6.178 -2.753 294 H LYS 37 H LYS 37 -15.940 -5.598 -0.896 295 HA LYS 37 HA LYS 37 -15.763 -8.156 0.457 296 1HB LYS 37 2HB LYS 37 -18.088 -6.829 -0.975 297 2HB LYS 37 1HB LYS 37 -18.217 -8.257 0.054 298 1HG LYS 37 2HG LYS 37 -17.114 -5.588 0.978 299 2HG LYS 37 1HG LYS 37 -18.775 -6.116 1.241 300 1HD LYS 37 2HD LYS 37 -17.095 -8.251 2.102 301 2HD LYS 37 1HD LYS 37 -16.415 -6.769 2.766 302 1HE LYS 37 2HE LYS 37 -17.968 -7.210 4.407 303 2HE LYS 37 1HE LYS 37 -18.992 -6.287 3.309 304 1HZ LYS 37 1HZ LYS 37 -19.935 -8.454 4.071 305 2HZ LYS 37 2HZ LYS 37 -18.716 -9.236 3.183 306 3HZ LYS 37 3HZ LYS 37 -19.863 -8.266 2.387 307 H ALA 38 H ALA 38 -14.146 -8.846 -1.369 308 HA ALA 38 HA ALA 38 -15.008 -9.540 -3.975 309 1HB ALA 38 1HB ALA 38 -13.142 -11.173 -3.945 310 2HB ALA 38 2HB ALA 38 -12.994 -10.954 -2.200 311 3HB ALA 38 3HB ALA 38 -12.648 -9.611 -3.290 312 H SER 39 H SER 39 -15.726 -11.027 -0.902 313 HA SER 39 HA SER 39 -16.449 -13.634 -1.924 314 1HB SER 39 2HB SER 39 -16.781 -12.154 0.647 315 2HB SER 39 1HB SER 39 -17.859 -13.515 0.350 316 HG SER 39 HG SER 39 -16.097 -14.426 1.237 317 H GLY 40 H GLY 40 -17.652 -12.453 -3.804 318 1HA GLY 40 2HA GLY 40 -20.538 -12.487 -3.121 319 2HA GLY 40 1HA GLY 40 -19.909 -11.060 -3.945 320 H SER 41 H SER 41 -21.267 -11.549 -5.787 321 HA SER 41 HA SER 41 -21.180 -14.031 -7.213 322 1HB SER 41 2HB SER 41 -21.605 -11.427 -8.640 323 2HB SER 41 1HB SER 41 -22.451 -12.958 -8.843 324 HG SER 41 HG SER 41 -23.647 -11.299 -7.704 325 H SER 42 H SER 42 -19.164 -11.144 -7.302 326 HA SER 42 HA SER 42 -17.112 -12.639 -8.799 327 1HB SER 42 2HB SER 42 -18.709 -10.407 -9.953 328 2HB SER 42 1HB SER 42 -16.975 -10.379 -10.256 329 HG SER 42 HG SER 42 -18.386 -11.606 -11.765 330 H SER 43 H SER 43 -15.244 -10.792 -9.236 331 HA SER 43 HA SER 43 -14.345 -10.044 -6.607 332 1HB SER 43 2HB SER 43 -12.716 -8.595 -8.155 333 2HB SER 43 1HB SER 43 -12.541 -10.342 -8.011 334 HG SER 43 HG SER 43 -12.606 -9.849 -10.176 335 H ASP 44 H ASP 44 -14.796 -8.228 -5.464 336 HA ASP 44 HA ASP 44 -16.298 -6.052 -6.828 337 1HB ASP 44 2HB ASP 44 -16.146 -7.090 -4.038 338 2HB ASP 44 1HB ASP 44 -16.430 -5.361 -4.233 339 H ARG 45 H ARG 45 -14.052 -5.527 -7.786 340 HA ARG 45 HA ARG 45 -12.072 -4.340 -6.023 341 1HB ARG 45 2HB ARG 45 -12.467 -4.438 -9.011 342 2HB ARG 45 1HB ARG 45 -11.216 -3.418 -8.301 343 1HG ARG 45 2HG ARG 45 -10.176 -5.325 -7.234 344 2HG ARG 45 1HG ARG 45 -11.501 -6.379 -7.727 345 1HD ARG 45 2HD ARG 45 -10.886 -6.284 -10.008 346 2HD ARG 45 1HD ARG 45 -9.875 -4.860 -9.763 347 HE ARG 45 HE ARG 45 -8.699 -6.811 -8.175 348 1HH1 ARG 45 1HH2 ARG 45 -9.572 -6.547 -11.552 349 2HH1 ARG 45 2HH2 ARG 45 -8.284 -7.579 -12.068 350 1HH2 ARG 45 1HH1 ARG 45 -7.051 -8.144 -8.886 351 2HH2 ARG 45 2HH1 ARG 45 -6.870 -8.474 -10.577 352 H LYS 46 H LYS 46 -13.732 -2.916 -4.920 353 HA LYS 46 HA LYS 46 -14.224 -0.418 -6.489 354 1HB LYS 46 2HB LYS 46 -15.674 -1.494 -4.052 355 2HB LYS 46 1HB LYS 46 -16.023 0.046 -4.837 356 1HG LYS 46 2HG LYS 46 -16.008 -1.915 -6.894 357 2HG LYS 46 1HG LYS 46 -16.935 -2.597 -5.561 358 1HD LYS 46 2HD LYS 46 -17.496 0.246 -6.206 359 2HD LYS 46 1HD LYS 46 -18.009 -0.936 -7.411 360 1HE LYS 46 2HE LYS 46 -18.864 -2.169 -5.150 361 2HE LYS 46 1HE LYS 46 -19.019 -0.483 -4.658 362 1HZ LYS 46 1HZ LYS 46 -21.005 -1.469 -5.796 363 2HZ LYS 46 2HZ LYS 46 -20.084 -1.517 -7.223 364 3HZ LYS 46 3HZ LYS 46 -20.424 -0.029 -6.478 365 H GLY 47 H GLY 47 -12.628 -1.780 -3.720 366 1HA GLY 47 2HA GLY 47 -12.323 0.518 -2.083 367 2HA GLY 47 1HA GLY 47 -11.185 -0.828 -2.144 368 H LEU 48 H LEU 48 -9.769 -0.798 -4.211 369 HA LEU 48 HA LEU 48 -8.280 1.656 -4.247 370 1HB LEU 48 2HB LEU 48 -7.489 0.538 -6.633 371 2HB LEU 48 1HB LEU 48 -6.778 0.162 -5.074 372 HG LEU 48 HG LEU 48 -8.275 -1.789 -4.855 373 1HD1 LEU 48 1HD1 LEU 48 -10.243 -1.438 -6.012 374 2HD1 LEU 48 2HD1 LEU 48 -9.367 -2.329 -7.255 375 3HD1 LEU 48 3HD1 LEU 48 -9.437 -0.569 -7.317 376 1HD2 LEU 48 1HD2 LEU 48 -6.032 -1.830 -6.114 377 2HD2 LEU 48 2HD2 LEU 48 -6.996 -1.855 -7.591 378 3HD2 LEU 48 3HD2 LEU 48 -7.139 -3.168 -6.422 379 H ASP 49 H ASP 49 -10.928 0.472 -6.214 380 HA ASP 49 HA ASP 49 -10.733 2.269 -8.413 381 1HB ASP 49 2HB ASP 49 -12.433 0.263 -7.748 382 2HB ASP 49 1HB ASP 49 -13.452 1.655 -7.382 383 H LEU 50 H LEU 50 -12.185 2.640 -5.206 384 HA LEU 50 HA LEU 50 -12.966 5.437 -5.806 385 1HB LEU 50 2HB LEU 50 -13.240 3.900 -3.201 386 2HB LEU 50 1HB LEU 50 -14.062 5.396 -3.643 387 HG LEU 50 HG LEU 50 -14.404 2.981 -5.396 388 1HD1 LEU 50 1HD1 LEU 50 -16.412 2.392 -3.985 389 2HD1 LEU 50 2HD1 LEU 50 -15.789 3.486 -2.750 390 3HD1 LEU 50 3HD1 LEU 50 -14.862 2.059 -3.213 391 1HD2 LEU 50 1HD2 LEU 50 -16.054 5.400 -4.622 392 2HD2 LEU 50 2HD2 LEU 50 -16.705 4.062 -5.569 393 3HD2 LEU 50 3HD2 LEU 50 -15.371 5.024 -6.205 394 H LEU 51 H LEU 51 -10.541 3.578 -4.090 395 HA LEU 51 HA LEU 51 -9.475 5.624 -2.411 396 1HB LEU 51 2HB LEU 51 -8.962 3.027 -2.616 397 2HB LEU 51 1HB LEU 51 -7.690 3.585 -3.699 398 HG LEU 51 HG LEU 51 -7.036 5.212 -1.825 399 1HD1 LEU 51 1HD1 LEU 51 -8.872 5.189 -0.354 400 2HD1 LEU 51 2HD1 LEU 51 -7.699 4.156 0.463 401 3HD1 LEU 51 3HD1 LEU 51 -9.032 3.435 -0.438 402 1HD2 LEU 51 1HD2 LEU 51 -5.915 3.297 -0.521 403 2HD2 LEU 51 2HD2 LEU 51 -5.590 3.373 -2.253 404 3HD2 LEU 51 3HD2 LEU 51 -6.758 2.211 -1.626 405 H ARG 52 H ARG 52 -8.916 4.780 -5.801 406 HA ARG 52 HA ARG 52 -6.671 6.477 -6.279 407 1HB ARG 52 2HB ARG 52 -8.830 5.298 -8.003 408 2HB ARG 52 1HB ARG 52 -7.727 6.492 -8.688 409 1HG ARG 52 2HG ARG 52 -5.871 5.114 -8.462 410 2HG ARG 52 1HG ARG 52 -6.577 4.213 -7.119 411 1HD ARG 52 2HD ARG 52 -6.531 2.813 -9.132 412 2HD ARG 52 1HD ARG 52 -8.199 3.178 -8.689 413 HE ARG 52 HE ARG 52 -7.422 5.179 -10.503 414 1HH1 ARG 52 1HH2 ARG 52 -7.754 1.697 -10.491 415 2HH1 ARG 52 2HH2 ARG 52 -8.119 1.625 -12.179 416 1HH2 ARG 52 1HH1 ARG 52 -7.898 5.038 -12.687 417 2HH2 ARG 52 2HH1 ARG 52 -8.201 3.494 -13.411 418 H MET 53 H MET 53 -10.058 7.179 -5.855 419 HA MET 53 HA MET 53 -9.567 9.992 -6.707 420 1HB MET 53 2HB MET 53 -11.905 10.167 -7.220 421 2HB MET 53 1HB MET 53 -11.339 8.663 -7.934 422 1HG MET 53 2HG MET 53 -12.257 7.390 -6.055 423 2HG MET 53 1HG MET 53 -12.748 8.881 -5.253 424 1HE MET 53 1HE MET 53 -15.663 8.393 -5.273 425 2HE MET 53 2HE MET 53 -14.525 7.051 -5.177 426 3HE MET 53 3HE MET 53 -15.886 6.965 -6.293 427 H LYS 54 H LYS 54 -9.576 8.261 -3.912 428 HA LYS 54 HA LYS 54 -10.968 10.417 -2.383 429 1HB LYS 54 2HB LYS 54 -10.800 7.486 -2.064 430 2HB LYS 54 1HB LYS 54 -10.602 8.399 -0.569 431 1HG LYS 54 2HG LYS 54 -12.788 9.390 -2.282 432 2HG LYS 54 1HG LYS 54 -13.029 7.743 -1.704 433 1HD LYS 54 2HD LYS 54 -13.077 8.384 0.529 434 2HD LYS 54 1HD LYS 54 -12.101 9.825 0.242 435 1HE LYS 54 2HE LYS 54 -13.964 10.939 -0.845 436 2HE LYS 54 1HE LYS 54 -14.942 9.473 -0.753 437 1HZ LYS 54 1HZ LYS 54 -14.039 11.221 1.455 438 2HZ LYS 54 2HZ LYS 54 -14.568 9.631 1.736 439 3HZ LYS 54 3HZ LYS 54 -15.622 10.771 1.047 440 H VAL 55 H VAL 55 -7.927 8.752 -2.850 441 HA VAL 55 HA VAL 55 -6.636 9.491 -0.411 442 HB VAL 55 HB VAL 55 -4.519 9.205 -1.709 443 1HG1 VAL 55 1HG1 VAL 55 -6.737 7.168 -1.959 444 2HG1 VAL 55 2HG1 VAL 55 -5.453 7.231 -0.752 445 3HG1 VAL 55 3HG1 VAL 55 -5.075 6.810 -2.421 446 1HG2 VAL 55 1HG2 VAL 55 -6.335 8.581 -4.050 447 2HG2 VAL 55 2HG2 VAL 55 -4.576 8.714 -4.050 448 3HG2 VAL 55 3HG2 VAL 55 -5.570 10.156 -3.842 449 H GLU 56 H GLU 56 -5.368 11.299 0.120 450 HA GLU 56 HA GLU 56 -5.911 13.720 -1.531 451 1HB GLU 56 2HB GLU 56 -6.280 13.363 1.130 452 2HB GLU 56 1HB GLU 56 -4.624 13.971 1.137 453 1HG GLU 56 2HG GLU 56 -5.232 16.043 0.358 454 2HG GLU 56 1HG GLU 56 -6.566 15.406 -0.604 455 H GLU 57 H GLU 57 -4.044 15.333 -1.573 456 HA GLU 57 HA GLU 57 -1.714 14.075 -2.684 457 1HB GLU 57 2HB GLU 57 -2.751 16.561 -2.879 458 2HB GLU 57 1HB GLU 57 -1.486 16.868 -1.687 459 1HG GLU 57 2HG GLU 57 0.228 16.118 -3.148 460 2HG GLU 57 1HG GLU 57 -0.928 15.351 -4.237 461 H GLY 58 H GLY 58 -0.317 12.935 -1.451 462 1HA GLY 58 2HA GLY 58 1.522 12.862 0.105 463 2HA GLY 58 1HA GLY 58 0.814 14.229 0.966 464 H ASP 59 H ASP 59 -1.239 11.560 0.033 465 HA ASP 59 HA ASP 59 -1.700 10.977 2.896 466 1HB ASP 59 2HB ASP 59 -3.312 10.983 0.550 467 2HB ASP 59 1HB ASP 59 -3.269 9.320 1.128 468 H VAL 60 H VAL 60 -1.679 8.734 3.676 469 HA VAL 60 HA VAL 60 0.327 7.076 2.202 470 HB VAL 60 HB VAL 60 0.467 5.885 4.528 471 1HG1 VAL 60 1HG1 VAL 60 1.619 8.547 3.749 472 2HG1 VAL 60 2HG1 VAL 60 2.398 6.966 3.789 473 3HG1 VAL 60 3HG1 VAL 60 2.047 7.813 5.295 474 1HG2 VAL 60 1HG2 VAL 60 -0.399 8.619 5.484 475 2HG2 VAL 60 2HG2 VAL 60 -0.118 7.165 6.442 476 3HG2 VAL 60 3HG2 VAL 60 -1.528 7.266 5.388 477 H ILE 61 H ILE 61 -0.371 5.209 1.348 478 HA ILE 61 HA ILE 61 -3.077 4.223 2.118 479 HB ILE 61 HB ILE 61 -1.369 3.735 -0.343 480 1HG1 ILE 61 2HG1 ILE 61 -4.079 5.030 -0.278 481 2HG1 ILE 61 1HG1 ILE 61 -2.653 5.978 0.140 482 1HG2 ILE 61 1HG2 ILE 61 -4.089 2.659 0.440 483 2HG2 ILE 61 2HG2 ILE 61 -2.649 1.733 0.014 484 3HG2 ILE 61 3HG2 ILE 61 -3.497 2.663 -1.221 485 1HD1 ILE 61 1HD1 ILE 61 -3.005 4.410 -2.431 486 2HD1 ILE 61 2HD1 ILE 61 -1.620 5.420 -2.012 487 3HD1 ILE 61 3HD1 ILE 61 -3.201 6.154 -2.273 488 H LEU 62 H LEU 62 -2.691 2.879 3.864 489 HA LEU 62 HA LEU 62 -0.416 1.047 3.933 490 1HB LEU 62 2HB LEU 62 -2.541 1.929 5.751 491 2HB LEU 62 1HB LEU 62 -2.221 0.201 5.884 492 HG LEU 62 HG LEU 62 -0.074 2.338 5.984 493 1HD1 LEU 62 1HD1 LEU 62 -1.577 0.886 8.170 494 2HD1 LEU 62 2HD1 LEU 62 -1.409 2.627 7.948 495 3HD1 LEU 62 3HD1 LEU 62 -0.018 1.663 8.443 496 1HD2 LEU 62 1HD2 LEU 62 1.429 0.611 6.388 497 2HD2 LEU 62 2HD2 LEU 62 0.306 -0.204 5.301 498 3HD2 LEU 62 3HD2 LEU 62 0.187 -0.455 7.042 499 H VAL 63 H VAL 63 -0.397 -0.891 2.906 500 HA VAL 63 HA VAL 63 -3.022 -2.141 2.198 501 HB VAL 63 HB VAL 63 -0.307 -2.586 0.917 502 1HG1 VAL 63 1HG1 VAL 63 -3.071 -3.661 0.475 503 2HG1 VAL 63 2HG1 VAL 63 -1.522 -4.499 0.398 504 3HG1 VAL 63 3HG1 VAL 63 -2.015 -3.436 -0.920 505 1HG2 VAL 63 1HG2 VAL 63 -1.109 -0.301 0.510 506 2HG2 VAL 63 2HG2 VAL 63 -2.683 -0.925 0.016 507 3HG2 VAL 63 3HG2 VAL 63 -1.254 -1.259 -0.963 508 H LYS 64 H LYS 64 -3.406 -4.252 2.842 509 HA LYS 64 HA LYS 64 -1.422 -5.425 4.726 510 1HB LYS 64 2HB LYS 64 -3.931 -5.036 5.295 511 2HB LYS 64 1HB LYS 64 -4.224 -6.447 4.282 512 1HG LYS 64 2HG LYS 64 -2.028 -6.874 6.179 513 2HG LYS 64 1HG LYS 64 -3.551 -6.496 6.983 514 1HD LYS 64 2HD LYS 64 -4.677 -8.281 5.706 515 2HD LYS 64 1HD LYS 64 -3.159 -8.659 4.893 516 1HE LYS 64 2HE LYS 64 -3.685 -8.858 7.874 517 2HE LYS 64 1HE LYS 64 -3.507 -10.211 6.755 518 1HZ LYS 64 1HZ LYS 64 -1.263 -9.065 6.220 519 2HZ LYS 64 2HZ LYS 64 -1.403 -10.025 7.615 520 3HZ LYS 64 3HZ LYS 64 -1.470 -8.332 7.736 521 H LYS 65 H LYS 65 -1.134 -7.826 4.613 522 HA LYS 65 HA LYS 65 -1.258 -8.768 1.777 523 1HB LYS 65 2HB LYS 65 1.000 -8.388 3.308 524 2HB LYS 65 1HB LYS 65 0.675 -10.102 3.566 525 1HG LYS 65 2HG LYS 65 0.459 -9.101 0.770 526 2HG LYS 65 1HG LYS 65 2.082 -9.215 1.453 527 1HD LYS 65 2HD LYS 65 1.644 -11.572 2.075 528 2HD LYS 65 1HD LYS 65 0.042 -11.456 1.345 529 1HE LYS 65 2HE LYS 65 1.323 -12.389 -0.387 530 2HE LYS 65 1HE LYS 65 1.335 -10.669 -0.782 531 1HZ LYS 65 1HZ LYS 65 3.551 -11.749 -0.862 532 2HZ LYS 65 2HZ LYS 65 3.445 -12.014 0.812 533 3HZ LYS 65 3HZ LYS 65 3.473 -10.430 0.201 534 H LEU 66 H LEU 66 -3.364 -9.715 2.164 535 HA LEU 66 HA LEU 66 -3.376 -12.023 4.059 536 1HB LEU 66 2HB LEU 66 -5.180 -10.320 4.337 537 2HB LEU 66 1HB LEU 66 -5.716 -10.656 2.692 538 HG LEU 66 HG LEU 66 -5.953 -13.092 3.396 539 1HD1 LEU 66 1HD1 LEU 66 -4.785 -13.394 5.370 540 2HD1 LEU 66 2HD1 LEU 66 -6.396 -13.098 6.023 541 3HD1 LEU 66 3HD1 LEU 66 -5.206 -11.796 5.987 542 1HD2 LEU 66 1HD2 LEU 66 -8.159 -12.726 3.982 543 2HD2 LEU 66 2HD2 LEU 66 -7.751 -11.111 3.403 544 3HD2 LEU 66 3HD2 LEU 66 -7.752 -11.454 5.133 545 H ASP 67 H ASP 67 -3.867 -11.076 0.697 546 HA ASP 67 HA ASP 67 -3.690 -13.952 -0.059 547 1HB ASP 67 2HB ASP 67 -5.896 -12.041 -0.660 548 2HB ASP 67 1HB ASP 67 -5.374 -13.090 -1.979 549 H ARG 68 H ARG 68 -4.248 -10.980 -1.951 550 HA ARG 68 HA ARG 68 -1.560 -10.540 -2.773 551 1HB ARG 68 2HB ARG 68 -2.936 -12.745 -4.125 552 2HB ARG 68 1HB ARG 68 -2.404 -11.503 -5.257 553 1HG ARG 68 2HG ARG 68 -0.174 -11.863 -4.824 554 2HG ARG 68 1HG ARG 68 -0.464 -12.343 -3.152 555 1HD ARG 68 2HD ARG 68 -0.113 -14.456 -3.915 556 2HD ARG 68 1HD ARG 68 -1.759 -14.337 -4.535 557 HE ARG 68 HE ARG 68 0.160 -13.233 -6.401 558 1HH1 ARG 68 1HH2 ARG 68 -1.242 -16.212 -5.219 559 2HH1 ARG 68 2HH2 ARG 68 -0.900 -17.070 -6.680 560 1HH2 ARG 68 1HH1 ARG 68 0.575 -14.378 -8.274 561 2HH2 ARG 68 2HH1 ARG 68 0.117 -16.044 -8.393 562 H LEU 69 H LEU 69 -1.480 -8.611 -3.912 563 HA LEU 69 HA LEU 69 -3.739 -6.932 -4.092 564 1HB LEU 69 2HB LEU 69 -1.003 -6.968 -5.321 565 2HB LEU 69 1HB LEU 69 -2.162 -5.736 -5.817 566 HG LEU 69 HG LEU 69 -0.677 -5.017 -3.951 567 1HD1 LEU 69 1HD1 LEU 69 -2.345 -3.782 -2.965 568 2HD1 LEU 69 2HD1 LEU 69 -3.408 -5.177 -2.781 569 3HD1 LEU 69 3HD1 LEU 69 -3.226 -4.408 -4.358 570 1HD2 LEU 69 1HD2 LEU 69 -0.957 -5.945 -1.729 571 2HD2 LEU 69 2HD2 LEU 69 -0.506 -7.234 -2.844 572 3HD2 LEU 69 3HD2 LEU 69 -2.183 -7.066 -2.324 573 H GLY 70 H GLY 70 -1.953 -8.230 -6.910 574 1HA GLY 70 2HA GLY 70 -4.530 -8.215 -8.421 575 2HA GLY 70 1HA GLY 70 -2.938 -8.056 -9.162 576 H ARG 71 H ARG 71 -2.454 -9.864 -10.283 577 HA ARG 71 HA ARG 71 -2.310 -12.449 -9.018 578 1HB ARG 71 2HB ARG 71 -4.845 -12.023 -9.564 579 2HB ARG 71 1HB ARG 71 -4.356 -12.387 -11.219 580 1HG ARG 71 2HG ARG 71 -3.883 -14.589 -10.743 581 2HG ARG 71 1HG ARG 71 -3.412 -14.239 -9.079 582 1HD ARG 71 2HD ARG 71 -5.446 -15.247 -8.674 583 2HD ARG 71 1HD ARG 71 -5.998 -13.586 -8.889 584 HE ARG 71 HE ARG 71 -7.105 -14.292 -10.833 585 1HH1 ARG 71 1HH2 ARG 71 -4.514 -16.517 -10.083 586 2HH1 ARG 71 2HH2 ARG 71 -4.922 -17.587 -11.379 587 1HH2 ARG 71 1HH1 ARG 71 -7.596 -15.702 -12.500 588 2HH2 ARG 71 2HH1 ARG 71 -6.647 -17.131 -12.735 589 H ASP 72 H ASP 72 -2.987 -11.147 -12.294 590 HA ASP 72 HA ASP 72 -0.429 -12.420 -13.186 591 1HB ASP 72 2HB ASP 72 -3.114 -12.275 -14.569 592 2HB ASP 72 1HB ASP 72 -1.621 -12.587 -15.456 593 H THR 73 H THR 73 -2.825 -10.093 -14.488 594 HA THR 73 HA THR 73 -0.914 -8.541 -15.923 595 HB THR 73 HB THR 73 -3.396 -7.293 -14.776 596 HG1 THR 73 1HG THR 73 -4.618 -8.408 -16.255 597 1HG2 THR 73 1HG2 THR 73 -3.403 -6.680 -17.366 598 2HG2 THR 73 2HG2 THR 73 -1.689 -7.063 -17.217 599 3HG2 THR 73 3HG2 THR 73 -2.398 -5.793 -16.220 600 H ALA 74 H ALA 74 -0.433 -6.184 -15.390 601 HA ALA 74 HA ALA 74 0.808 -6.046 -12.756 602 1HB ALA 74 1HB ALA 74 1.103 -3.542 -13.721 603 2HB ALA 74 2HB ALA 74 0.764 -4.392 -15.229 604 3HB ALA 74 3HB ALA 74 2.130 -4.883 -14.228 605 H ASP 75 H ASP 75 -1.622 -6.375 -11.922 606 HA ASP 75 HA ASP 75 -3.213 -3.924 -11.804 607 1HB ASP 75 2HB ASP 75 -3.407 -6.616 -10.443 608 2HB ASP 75 1HB ASP 75 -4.503 -5.290 -10.056 609 H MET 76 H MET 76 -1.326 -5.839 -9.453 610 HA MET 76 HA MET 76 -1.595 -4.115 -7.226 611 1HB MET 76 2HB MET 76 -0.591 -6.381 -7.133 612 2HB MET 76 1HB MET 76 0.806 -5.791 -8.005 613 1HG MET 76 2HG MET 76 0.092 -4.212 -5.613 614 2HG MET 76 1HG MET 76 0.646 -5.852 -5.287 615 1HE MET 76 1HE MET 76 2.529 -5.760 -4.246 616 2HE MET 76 2HE MET 76 4.117 -5.268 -4.829 617 3HE MET 76 3HE MET 76 3.288 -6.622 -5.592 618 H ILE 77 H ILE 77 0.596 -3.960 -9.991 619 HA ILE 77 HA ILE 77 2.055 -1.665 -8.879 620 HB ILE 77 HB ILE 77 2.171 -3.010 -11.600 621 1HG1 ILE 77 2HG1 ILE 77 4.530 -3.537 -10.371 622 2HG1 ILE 77 1HG1 ILE 77 3.474 -3.450 -8.961 623 1HG2 ILE 77 1HG2 ILE 77 4.116 -1.041 -10.351 624 2HG2 ILE 77 2HG2 ILE 77 2.929 -0.608 -11.581 625 3HG2 ILE 77 3HG2 ILE 77 4.216 -1.750 -11.964 626 1HD1 ILE 77 1HD1 ILE 77 2.225 -5.286 -9.608 627 2HD1 ILE 77 2HD1 ILE 77 3.780 -5.726 -10.314 628 3HD1 ILE 77 3HD1 ILE 77 2.524 -5.015 -11.326 629 H GLN 78 H GLN 78 -0.759 -2.187 -10.859 630 HA GLN 78 HA GLN 78 -0.743 0.227 -12.380 631 1HB GLN 78 2HB GLN 78 -2.432 -1.925 -12.185 632 2HB GLN 78 1HB GLN 78 -3.385 -0.668 -11.401 633 1HG GLN 78 2HG GLN 78 -2.069 -0.349 -14.113 634 2HG GLN 78 1HG GLN 78 -3.757 -0.805 -13.882 635 1HE2 GLN 78 1HE2 GLN 78 -1.685 1.871 -14.236 636 2HE2 GLN 78 2HE2 GLN 78 -2.746 3.073 -13.681 637 H LEU 79 H LEU 79 -2.812 -0.373 -9.517 638 HA LEU 79 HA LEU 79 -3.298 2.377 -9.045 639 1HB LEU 79 2HB LEU 79 -4.275 1.781 -6.944 640 2HB LEU 79 1HB LEU 79 -4.663 0.507 -8.081 641 HG LEU 79 HG LEU 79 -4.110 -0.566 -6.036 642 1HD1 LEU 79 1HD1 LEU 79 -2.122 -1.883 -6.553 643 2HD1 LEU 79 2HD1 LEU 79 -1.631 -0.696 -7.753 644 3HD1 LEU 79 3HD1 LEU 79 -3.100 -1.633 -7.996 645 1HD2 LEU 79 1HD2 LEU 79 -2.466 0.039 -4.551 646 2HD2 LEU 79 2HD2 LEU 79 -2.750 1.604 -5.312 647 3HD2 LEU 79 3HD2 LEU 79 -1.381 0.614 -5.816 648 H ILE 80 H ILE 80 -0.416 0.593 -8.424 649 HA ILE 80 HA ILE 80 0.534 2.336 -6.284 650 HB ILE 80 HB ILE 80 1.858 0.234 -8.029 651 1HG1 ILE 80 2HG1 ILE 80 1.364 0.391 -5.041 652 2HG1 ILE 80 1HG1 ILE 80 0.312 -0.449 -6.178 653 1HG2 ILE 80 1HG2 ILE 80 3.125 1.945 -5.863 654 2HG2 ILE 80 2HG2 ILE 80 3.578 1.914 -7.567 655 3HG2 ILE 80 3HG2 ILE 80 3.862 0.499 -6.554 656 1HD1 ILE 80 1HD1 ILE 80 3.202 -1.080 -5.536 657 2HD1 ILE 80 2HD1 ILE 80 2.338 -1.796 -6.896 658 3HD1 ILE 80 3HD1 ILE 80 1.792 -2.100 -5.247 659 H LYS 81 H LYS 81 0.989 2.042 -9.802 660 HA LYS 81 HA LYS 81 2.807 4.290 -10.001 661 1HB LYS 81 2HB LYS 81 1.595 2.359 -11.779 662 2HB LYS 81 1HB LYS 81 1.392 3.975 -12.454 663 1HG LYS 81 2HG LYS 81 3.503 3.669 -13.243 664 2HG LYS 81 1HG LYS 81 3.992 4.086 -11.600 665 1HD LYS 81 2HD LYS 81 5.099 2.066 -11.847 666 2HD LYS 81 1HD LYS 81 3.566 1.496 -11.183 667 1HE LYS 81 2HE LYS 81 4.008 0.122 -13.095 668 2HE LYS 81 1HE LYS 81 2.756 1.260 -13.590 669 1HZ LYS 81 1HZ LYS 81 4.328 2.575 -14.720 670 2HZ LYS 81 2HZ LYS 81 4.668 0.973 -15.170 671 3HZ LYS 81 3HZ LYS 81 5.643 1.762 -14.023 672 H GLU 82 H GLU 82 -0.680 3.869 -10.054 673 HA GLU 82 HA GLU 82 -1.354 6.502 -11.007 674 1HB GLU 82 2HB GLU 82 -2.834 4.356 -10.775 675 2HB GLU 82 1HB GLU 82 -3.090 4.918 -9.123 676 1HG GLU 82 2HG GLU 82 -4.846 5.980 -10.211 677 2HG GLU 82 1HG GLU 82 -3.598 7.220 -10.319 678 H PHE 83 H PHE 83 -0.947 5.109 -7.750 679 HA PHE 83 HA PHE 83 -1.605 7.608 -6.403 680 1HB PHE 83 2HB PHE 83 -0.361 5.011 -5.479 681 2HB PHE 83 1HB PHE 83 -0.571 6.387 -4.399 682 HD1 PHE 83 1HD PHE 83 -1.961 3.394 -4.981 683 HD2 PHE 83 2HD PHE 83 -3.130 7.524 -5.091 684 HE1 PHE 83 1HE PHE 83 -4.321 2.734 -4.607 685 HE2 PHE 83 2HE PHE 83 -5.491 6.863 -4.719 686 HZ PHE 83 HZ PHE 83 -6.085 4.470 -4.478 687 H ASP 84 H ASP 84 1.356 5.970 -7.430 688 HA ASP 84 HA ASP 84 3.235 7.600 -6.047 689 1HB ASP 84 2HB ASP 84 3.529 5.436 -7.546 690 2HB ASP 84 1HB ASP 84 3.824 6.619 -8.818 691 H ALA 85 H ALA 85 1.504 8.061 -9.085 692 HA ALA 85 HA ALA 85 2.974 10.501 -9.772 693 1HB ALA 85 1HB ALA 85 0.869 10.617 -11.413 694 2HB ALA 85 2HB ALA 85 0.740 8.917 -10.963 695 3HB ALA 85 3HB ALA 85 2.216 9.520 -11.718 696 H GLN 86 H GLN 86 0.099 9.688 -7.958 697 HA GLN 86 HA GLN 86 -1.002 12.391 -8.082 698 1HB GLN 86 2HB GLN 86 -1.842 9.772 -7.109 699 2HB GLN 86 1HB GLN 86 -2.217 11.044 -5.951 700 1HG GLN 86 2HG GLN 86 -3.005 12.269 -8.228 701 2HG GLN 86 1HG GLN 86 -3.300 10.590 -8.679 702 1HE2 GLN 86 1HE2 GLN 86 -5.662 11.034 -8.581 703 2HE2 GLN 86 2HE2 GLN 86 -6.447 11.131 -7.079 704 H GLY 87 H GLY 87 1.701 11.294 -6.570 705 1HA GLY 87 2HA GLY 87 2.988 12.269 -4.864 706 2HA GLY 87 1HA GLY 87 1.720 13.479 -4.667 707 H VAL 88 H VAL 88 1.015 10.051 -4.529 708 HA VAL 88 HA VAL 88 0.475 10.348 -1.603 709 HB VAL 88 HB VAL 88 -0.872 8.516 -3.618 710 1HG1 VAL 88 1HG1 VAL 88 -0.713 7.697 -1.224 711 2HG1 VAL 88 2HG1 VAL 88 -2.359 7.907 -1.822 712 3HG1 VAL 88 3HG1 VAL 88 -1.651 9.114 -0.750 713 1HG2 VAL 88 1HG2 VAL 88 -1.250 11.205 -3.402 714 2HG2 VAL 88 2HG2 VAL 88 -2.387 10.627 -2.185 715 3HG2 VAL 88 3HG2 VAL 88 -2.528 10.078 -3.854 716 H SER 89 H SER 89 1.082 8.599 -0.251 717 HA SER 89 HA SER 89 3.138 6.811 -1.457 718 1HB SER 89 2HB SER 89 2.782 8.073 1.216 719 2HB SER 89 1HB SER 89 3.500 6.464 1.189 720 HG SER 89 HG SER 89 5.017 8.231 0.975 721 H ILE 90 H ILE 90 3.239 4.583 -0.494 722 HA ILE 90 HA ILE 90 0.591 3.576 0.435 723 HB ILE 90 HB ILE 90 2.244 2.220 -1.714 724 1HG1 ILE 90 2HG1 ILE 90 -0.322 3.818 -2.010 725 2HG1 ILE 90 1HG1 ILE 90 1.272 4.374 -2.514 726 1HG2 ILE 90 1HG2 ILE 90 0.316 0.768 -1.934 727 2HG2 ILE 90 2HG2 ILE 90 -0.606 1.751 -0.796 728 3HG2 ILE 90 3HG2 ILE 90 0.777 0.813 -0.232 729 1HD1 ILE 90 1HD1 ILE 90 1.465 2.550 -4.106 730 2HD1 ILE 90 2HD1 ILE 90 -0.066 3.380 -4.385 731 3HD1 ILE 90 3HD1 ILE 90 -0.043 1.839 -3.528 732 H ARG 91 H ARG 91 1.222 2.912 2.467 733 HA ARG 91 HA ARG 91 3.858 1.771 2.963 734 1HB ARG 91 2HB ARG 91 1.377 2.053 4.675 735 2HB ARG 91 1HB ARG 91 2.889 1.365 5.267 736 1HG ARG 91 2HG ARG 91 3.893 3.599 4.215 737 2HG ARG 91 1HG ARG 91 2.257 4.185 4.514 738 1HD ARG 91 2HD ARG 91 2.482 4.070 6.793 739 2HD ARG 91 1HD ARG 91 3.544 2.663 6.721 740 HE ARG 91 HE ARG 91 5.100 4.677 5.661 741 1HH1 ARG 91 1HH2 ARG 91 3.255 4.332 8.613 742 2HH1 ARG 91 2HH2 ARG 91 4.301 5.379 9.507 743 1HH2 ARG 91 1HH1 ARG 91 6.429 6.023 6.859 744 2HH2 ARG 91 2HH1 ARG 91 6.078 6.326 8.528 745 H PHE 92 H PHE 92 4.253 -0.431 3.666 746 HA PHE 92 HA PHE 92 2.128 -2.367 2.848 747 1HB PHE 92 2HB PHE 92 5.083 -2.375 2.195 748 2HB PHE 92 1HB PHE 92 4.076 -3.815 2.049 749 HD1 PHE 92 1HD PHE 92 1.622 -3.093 0.941 750 HD2 PHE 92 2HD PHE 92 5.448 -1.311 0.151 751 HE1 PHE 92 1HE PHE 92 0.798 -2.312 -1.263 752 HE2 PHE 92 2HE PHE 92 4.623 -0.529 -2.055 753 HZ PHE 92 HZ PHE 92 2.300 -1.028 -2.761 754 H ILE 93 H ILE 93 1.592 -3.615 4.558 755 HA ILE 93 HA ILE 93 3.007 -3.655 7.031 756 HB ILE 93 HB ILE 93 0.618 -4.237 6.833 757 1HG1 ILE 93 2HG1 ILE 93 0.662 -6.307 8.249 758 2HG1 ILE 93 1HG1 ILE 93 2.383 -6.468 7.893 759 1HG2 ILE 93 1HG2 ILE 93 -0.073 -6.377 5.878 760 2HG2 ILE 93 2HG2 ILE 93 1.603 -6.779 5.502 761 3HG2 ILE 93 3HG2 ILE 93 0.806 -5.447 4.664 762 1HD1 ILE 93 1HD1 ILE 93 2.961 -4.612 9.156 763 2HD1 ILE 93 2HD1 ILE 93 1.567 -5.189 10.071 764 3HD1 ILE 93 3HD1 ILE 93 1.387 -3.846 8.940 765 H ASP 94 H ASP 94 3.484 -5.462 4.093 766 HA ASP 94 HA ASP 94 4.802 -7.761 5.139 767 1HB ASP 94 2HB ASP 94 4.013 -7.216 2.713 768 2HB ASP 94 1HB ASP 94 5.607 -6.481 2.539 769 H ASP 95 H ASP 95 5.904 -4.456 4.693 770 HA ASP 95 HA ASP 95 8.532 -5.282 5.847 771 1HB ASP 95 2HB ASP 95 8.461 -4.802 3.252 772 2HB ASP 95 1HB ASP 95 8.444 -3.117 3.774 773 H GLY 96 H GLY 96 6.363 -2.562 5.085 774 1HA GLY 96 2HA GLY 96 5.736 -1.231 7.188 775 2HA GLY 96 1HA GLY 96 7.477 -1.122 7.456 776 H ILE 97 H ILE 97 7.875 -0.911 4.459 777 HA ILE 97 HA ILE 97 7.110 1.955 4.208 778 HB ILE 97 HB ILE 97 9.084 1.953 2.516 779 1HG1 ILE 97 2HG1 ILE 97 9.804 -0.477 4.191 780 2HG1 ILE 97 1HG1 ILE 97 9.342 -0.528 2.492 781 1HG2 ILE 97 1HG2 ILE 97 9.471 3.250 4.398 782 2HG2 ILE 97 2HG2 ILE 97 10.703 2.010 4.630 783 3HG2 ILE 97 3HG2 ILE 97 9.178 1.913 5.509 784 1HD1 ILE 97 1HD1 ILE 97 11.267 0.851 1.891 785 2HD1 ILE 97 2HD1 ILE 97 11.812 -0.555 2.805 786 3HD1 ILE 97 3HD1 ILE 97 11.705 1.020 3.591 787 H SER 98 H SER 98 7.387 2.484 1.630 788 HA SER 98 HA SER 98 5.291 0.838 0.379 789 1HB SER 98 2HB SER 98 6.689 3.245 -0.804 790 2HB SER 98 1HB SER 98 5.119 2.586 -1.252 791 HG SER 98 HG SER 98 5.833 3.739 1.248 792 H THR 99 H THR 99 5.884 0.992 -2.276 793 HA THR 99 HA THR 99 7.863 -1.106 -2.577 794 HB THR 99 HB THR 99 5.872 -1.050 -4.001 795 HG1 THR 99 1HG THR 99 7.072 -1.864 -5.494 796 1HG2 THR 99 1HG2 THR 99 5.116 0.981 -4.624 797 2HG2 THR 99 2HG2 THR 99 6.368 0.964 -5.864 798 3HG2 THR 99 3HG2 THR 99 6.679 1.739 -4.311 799 H ASP 100 H ASP 100 9.606 0.324 -1.575 800 HA ASP 100 HA ASP 100 10.673 2.520 -3.150 801 1HB ASP 100 2HB ASP 100 10.978 2.050 -0.619 802 2HB ASP 100 1HB ASP 100 12.232 0.916 -1.122 803 H GLY 101 H GLY 101 10.485 0.948 -5.139 804 1HA GLY 101 2HA GLY 101 12.826 0.520 -6.418 805 2HA GLY 101 1HA GLY 101 12.750 -0.917 -5.398 806 H GLU 102 H GLU 102 10.730 0.914 -7.707 807 HA GLU 102 HA GLU 102 9.851 -1.692 -8.863 808 1HB GLU 102 2HB GLU 102 7.545 -0.698 -9.113 809 2HB GLU 102 1HB GLU 102 8.009 -1.005 -7.440 810 1HG GLU 102 2HG GLU 102 8.047 1.210 -6.909 811 2HG GLU 102 1HG GLU 102 8.773 1.667 -8.449 812 H MET 103 H MET 103 11.580 -0.947 -10.429 813 HA MET 103 HA MET 103 10.385 0.871 -12.455 814 1HB MET 103 2HB MET 103 13.256 0.876 -11.480 815 2HB MET 103 1HB MET 103 12.687 1.759 -12.896 816 1HG MET 103 2HG MET 103 11.597 3.341 -11.646 817 2HG MET 103 1HG MET 103 11.153 2.191 -10.387 818 1HE MET 103 1HE MET 103 14.846 4.413 -11.346 819 2HE MET 103 2HE MET 103 13.673 5.421 -10.502 820 3HE MET 103 3HE MET 103 13.183 4.526 -11.938 821 H GLY 104 H GLY 104 11.745 0.598 -14.586 822 1HA GLY 104 2HA GLY 104 11.982 -2.324 -15.036 823 2HA GLY 104 1HA GLY 104 11.828 -1.100 -16.297 824 H LYS 105 H LYS 105 14.087 -1.493 -13.550 825 HA LYS 105 HA LYS 105 16.342 -0.458 -14.970 826 1HB LYS 105 2HB LYS 105 16.135 -2.242 -12.531 827 2HB LYS 105 1HB LYS 105 17.669 -1.621 -13.136 828 1HG LYS 105 2HG LYS 105 16.923 0.670 -12.836 829 2HG LYS 105 1HG LYS 105 15.309 0.123 -12.382 830 1HD LYS 105 2HD LYS 105 16.462 0.608 -10.333 831 2HD LYS 105 1HD LYS 105 16.394 -1.148 -10.470 832 1HE LYS 105 2HE LYS 105 18.758 -0.267 -11.818 833 2HE LYS 105 1HE LYS 105 18.710 0.518 -10.240 834 1HZ LYS 105 1HZ LYS 105 19.687 -1.473 -9.734 835 2HZ LYS 105 2HZ LYS 105 18.802 -2.343 -10.893 836 3HZ LYS 105 3HZ LYS 105 18.060 -1.851 -9.446
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