NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10987 | 1qq3 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 1 H1 ALA 1 -17.082 -2.720 -5.109 2 2H ALA 1 H2 ALA 1 -16.839 -1.813 -6.472 3 3H ALA 1 H3 ALA 1 -16.127 -3.301 -6.330 4 HA ALA 1 HA ALA 1 -14.712 -2.524 -4.566 5 1HB ALA 1 1HB ALA 1 -14.311 -2.295 -6.661 6 2HB ALA 1 2HB ALA 1 -15.181 -0.723 -6.590 7 3HB ALA 1 3HB ALA 1 -13.720 -0.989 -5.576 8 H ASP 2 H ASP 2 -14.536 -0.862 -2.772 9 HA ASP 2 HA ASP 2 -15.992 1.615 -3.311 10 1HB ASP 2 2HB ASP 2 -16.437 -0.116 -0.849 11 2HB ASP 2 3HB ASP 2 -16.892 1.581 -1.014 12 H LEU 3 H LEU 3 -14.764 3.170 -2.779 13 HA LEU 3 HA LEU 3 -11.985 3.029 -2.043 14 1HB LEU 3 2HB LEU 3 -12.600 4.871 -3.297 15 2HB LEU 3 3HB LEU 3 -14.141 5.042 -2.477 16 HG LEU 3 HG LEU 3 -12.807 6.038 -0.497 17 1HD1 LEU 3 1HD1 LEU 3 -10.493 5.540 -1.332 18 2HD1 LEU 3 2HD1 LEU 3 -10.814 6.507 -2.789 19 3HD1 LEU 3 3HD1 LEU 3 -10.790 7.298 -1.200 20 1HD2 LEU 3 1HD2 LEU 3 -12.955 7.340 -3.231 21 2HD2 LEU 3 2HD2 LEU 3 -14.345 7.129 -2.133 22 3HD2 LEU 3 3HD2 LEU 3 -13.004 8.143 -1.635 23 H GLU 4 H GLU 4 -14.876 3.716 0.073 24 HA GLU 4 HA GLU 4 -13.107 4.275 2.249 25 1HB GLU 4 2HB GLU 4 -14.980 4.294 3.603 26 2HB GLU 4 3HB GLU 4 -15.561 4.810 2.015 27 1HG GLU 4 2HG GLU 4 -16.339 2.406 1.650 28 2HG GLU 4 3HG GLU 4 -16.002 2.136 3.372 29 H ASP 5 H ASP 5 -14.570 1.305 1.017 30 HA ASP 5 HA ASP 5 -13.384 -0.539 2.883 31 1HB ASP 5 2HB ASP 5 -14.814 -0.710 0.342 32 2HB ASP 5 3HB ASP 5 -13.452 -1.809 0.334 33 H ASN 6 H ASN 6 -12.037 1.088 -0.106 34 HA ASN 6 HA ASN 6 -9.846 -0.747 -0.281 35 1HB ASN 6 2HB ASN 6 -9.845 2.178 -1.165 36 2HB ASN 6 3HB ASN 6 -8.768 0.908 -1.668 37 1HD2 ASN 6 2HD2 ASN 6 -10.770 -1.286 -1.978 38 2HD2 ASN 6 1HD2 ASN 6 -11.567 -0.852 -3.477 39 H MET 7 HN MET 7 -10.514 2.258 1.343 40 HA MET 7 HA MET 7 -7.856 2.868 2.108 41 1HB MET 7 2HB MET 7 -10.659 3.809 2.878 42 2HB MET 7 3HB MET 7 -9.236 4.446 3.647 43 1HG MET 7 2HG MET 7 -9.766 4.414 0.672 44 2HG MET 7 3HG MET 7 -10.024 5.834 1.641 45 1HE MET 7 1HE MET 7 -8.346 4.788 -1.134 46 2HE MET 7 2HE MET 7 -8.374 6.560 -0.868 47 3HE MET 7 3HE MET 7 -6.843 5.666 -0.994 48 H GLU 8 H GLU 8 -10.673 1.442 3.902 49 HA GLU 8 HA GLU 8 -9.151 1.016 6.290 50 1HB GLU 8 2HB GLU 8 -11.304 -0.891 5.300 51 2HB GLU 8 3HB GLU 8 -10.698 -0.642 6.936 52 1HG GLU 8 2HG GLU 8 -11.625 1.856 6.467 53 2HG GLU 8 3HG GLU 8 -12.693 0.938 5.386 54 H THR 9 H THR 9 -9.521 -0.881 3.229 55 HA THR 9 HA THR 9 -8.151 -3.151 4.245 56 HB THR 9 HB THR 9 -8.758 -2.198 1.412 57 HG1 THR 9 1HG THR 9 -9.754 -4.283 3.061 58 1HG2 THR 9 1HG2 THR 9 -7.509 -4.821 2.331 59 2HG2 THR 9 2HG2 THR 9 -8.201 -4.534 0.722 60 3HG2 THR 9 3HG2 THR 9 -6.774 -3.620 1.232 61 H LEU 10 H LEU 10 -6.962 -0.064 2.580 62 HA LEU 10 HA LEU 10 -4.475 -1.350 2.190 63 1HB LEU 10 2HB LEU 10 -4.462 1.603 2.776 64 2HB LEU 10 3HB LEU 10 -3.420 0.681 1.707 65 HG LEU 10 HG LEU 10 -6.279 1.477 1.200 66 1HD1 LEU 10 1HD1 LEU 10 -4.766 3.345 1.191 67 2HD1 LEU 10 2HD1 LEU 10 -3.738 2.524 -0.012 68 3HD1 LEU 10 3HD1 LEU 10 -5.390 3.017 -0.433 69 1HD2 LEU 10 1HD2 LEU 10 -6.085 0.592 -1.015 70 2HD2 LEU 10 2HD2 LEU 10 -4.333 0.351 -0.857 71 3HD2 LEU 10 3HD2 LEU 10 -5.459 -0.699 0.028 72 H ASN 11 H ASN 11 -5.920 0.418 4.868 73 HA ASN 11 HA ASN 11 -3.519 0.703 6.431 74 1HB ASN 11 2HB ASN 11 -5.456 2.182 6.683 75 2HB ASN 11 3HB ASN 11 -6.470 0.809 7.179 76 1HD2 ASN 11 2HD2 ASN 11 -6.883 1.084 9.357 77 2HD2 ASN 11 1HD2 ASN 11 -5.639 1.517 10.516 78 H ASP 12 H ASP 12 -6.097 -1.786 6.336 79 HA ASP 12 HA ASP 12 -5.297 -3.287 8.609 80 1HB ASP 12 2HB ASP 12 -6.998 -3.671 6.211 81 2HB ASP 12 3HB ASP 12 -6.139 -5.141 6.626 82 H ASN 13 H ASN 13 -4.348 -3.510 5.138 83 HA ASN 13 HA ASN 13 -2.459 -5.598 5.604 84 1HB ASN 13 2HB ASN 13 -2.766 -3.538 3.391 85 2HB ASN 13 3HB ASN 13 -1.555 -4.825 3.391 86 1HD2 ASN 13 2HD2 ASN 13 -4.819 -4.070 2.700 87 2HD2 ASN 13 1HD2 ASN 13 -5.381 -5.699 2.457 88 H LEU 14 H LEU 14 -2.101 -1.937 5.731 89 HA LEU 14 HA LEU 14 0.721 -2.008 5.631 90 1HB LEU 14 2HB LEU 14 -1.100 -0.132 5.285 91 2HB LEU 14 3HB LEU 14 -1.019 0.051 7.034 92 HG LEU 14 HG LEU 14 1.347 0.693 6.853 93 1HD1 LEU 14 1HD1 LEU 14 2.475 -0.320 5.117 94 2HD1 LEU 14 2HD1 LEU 14 1.025 -0.464 4.125 95 3HD1 LEU 14 3HD1 LEU 14 1.917 1.067 4.163 96 1HD2 LEU 14 1HD2 LEU 14 -0.696 2.247 6.290 97 2HD2 LEU 14 2HD2 LEU 14 0.933 2.809 5.879 98 3HD2 LEU 14 3HD2 LEU 14 -0.110 2.136 4.617 99 H LYS 15 H LYS 15 -1.697 -2.284 8.167 100 HA LYS 15 HA LYS 15 0.041 -2.132 10.419 101 1HB LYS 15 2HB LYS 15 -2.490 -1.916 10.329 102 2HB LYS 15 3HB LYS 15 -2.597 -3.659 10.106 103 1HG LYS 15 2HG LYS 15 -2.349 -4.029 12.315 104 2HG LYS 15 3HG LYS 15 -0.852 -3.073 12.364 105 1HD LYS 15 2HD LYS 15 -2.193 -0.983 12.447 106 2HD LYS 15 3HD LYS 15 -3.688 -1.956 12.479 107 1HE LYS 15 2HE LYS 15 -2.979 -3.029 14.560 108 2HE LYS 15 3HE LYS 15 -1.413 -2.192 14.491 109 1HZ LYS 15 1HZ LYS 15 -4.033 -0.865 14.775 110 2HZ LYS 15 2HZ LYS 15 -2.949 -1.091 15.991 111 3HZ LYS 15 3HZ LYS 15 -2.573 -0.107 14.727 112 H VAL 16 H VAL 16 -1.298 -4.935 8.571 113 HA VAL 16 HA VAL 16 0.073 -6.948 10.022 114 HB VAL 16 HB VAL 16 -0.988 -6.768 7.185 115 1HG1 VAL 16 1HG1 VAL 16 -0.698 -9.099 6.826 116 2HG1 VAL 16 2HG1 VAL 16 0.898 -8.498 7.261 117 3HG1 VAL 16 3HG1 VAL 16 -0.074 -9.370 8.466 118 1HG2 VAL 16 1HG2 VAL 16 -1.869 -8.294 9.678 119 2HG2 VAL 16 2HG2 VAL 16 -2.615 -6.803 9.070 120 3HG2 VAL 16 3HG2 VAL 16 -2.708 -8.291 8.113 121 H ILE 17 H ILE 17 1.172 -4.980 7.226 122 HA ILE 17 HA ILE 17 3.545 -6.446 6.723 123 HB ILE 17 HB ILE 17 2.687 -3.586 6.157 124 1HG1 ILE 17 2HG1 ILE 17 3.165 -5.829 4.177 125 2HG1 ILE 17 3HG1 ILE 17 1.669 -5.775 5.099 126 1HG2 ILE 17 1HG2 ILE 17 4.619 -3.615 4.473 127 2HG2 ILE 17 2HG2 ILE 17 5.086 -3.438 6.170 128 3HG2 ILE 17 3HG2 ILE 17 5.262 -5.006 5.359 129 1HD1 ILE 17 1HD1 ILE 17 2.660 -3.491 3.358 130 2HD1 ILE 17 2HD1 ILE 17 1.420 -4.699 2.906 131 3HD1 ILE 17 3HD1 ILE 17 1.123 -3.562 4.216 132 H GLU 18 H GLU 18 2.956 -3.517 8.735 133 HA GLU 18 HA GLU 18 5.645 -3.164 9.557 134 1HB GLU 18 2HB GLU 18 3.511 -1.662 9.809 135 2HB GLU 18 3HB GLU 18 3.230 -2.562 11.308 136 1HG GLU 18 2HG GLU 18 5.495 -1.898 12.102 137 2HG GLU 18 3HG GLU 18 5.767 -1.025 10.591 138 H LYS 19 H LYS 19 3.054 -5.236 10.719 139 HA LYS 19 HA LYS 19 4.582 -6.146 13.063 140 1HB LYS 19 2HB LYS 19 1.871 -5.765 12.381 141 2HB LYS 19 3HB LYS 19 2.022 -7.506 12.351 142 1HG LYS 19 2HG LYS 19 2.219 -7.639 14.609 143 2HG LYS 19 3HG LYS 19 3.281 -6.221 14.729 144 1HD LYS 19 2HD LYS 19 1.526 -4.686 14.672 145 2HD LYS 19 3HD LYS 19 0.353 -5.863 14.024 146 1HE LYS 19 2HE LYS 19 0.176 -7.045 16.025 147 2HE LYS 19 3HE LYS 19 1.702 -6.407 16.664 148 1HZ LYS 19 1HZ LYS 19 -0.736 -4.805 16.267 149 2HZ LYS 19 2HZ LYS 19 -0.232 -5.416 17.712 150 3HZ LYS 19 3HZ LYS 19 0.683 -4.287 16.939 151 H ALA 20 H ALA 20 4.545 -7.023 9.824 152 HA ALA 20 HA ALA 20 3.992 -9.742 9.997 153 1HB ALA 20 1HB ALA 20 5.044 -9.883 7.764 154 2HB ALA 20 2HB ALA 20 4.015 -8.451 7.891 155 3HB ALA 20 3HB ALA 20 5.787 -8.284 8.053 156 H ASP 21 H ASP 21 5.385 -11.418 9.387 157 HA ASP 21 HA ASP 21 7.940 -11.454 10.951 158 1HB ASP 21 2HB ASP 21 5.491 -12.431 11.779 159 2HB ASP 21 3HB ASP 21 6.171 -13.864 11.025 160 H ASN 22 H ASN 22 5.950 -13.023 8.382 161 HA ASN 22 HA ASN 22 8.370 -14.412 7.380 162 1HB ASN 22 2HB ASN 22 5.491 -14.642 6.437 163 2HB ASN 22 3HB ASN 22 6.821 -15.697 6.003 164 1HD2 ASN 22 2HD2 ASN 22 6.400 -17.724 6.878 165 2HD2 ASN 22 1HD2 ASN 22 5.791 -17.931 8.509 166 H ALA 23 H ALA 23 8.885 -14.270 5.181 167 HA ALA 23 HA ALA 23 8.460 -11.837 3.715 168 1HB ALA 23 1HB ALA 23 9.350 -14.642 2.901 169 2HB ALA 23 2HB ALA 23 9.198 -13.305 1.745 170 3HB ALA 23 3HB ALA 23 10.350 -13.180 3.085 171 H ALA 24 H ALA 24 6.908 -15.088 3.374 172 HA ALA 24 HA ALA 24 5.175 -14.301 1.313 173 1HB ALA 24 1HB ALA 24 5.003 -16.454 3.439 174 2HB ALA 24 2HB ALA 24 3.685 -16.203 2.278 175 3HB ALA 24 3HB ALA 24 5.306 -16.608 1.690 176 H GLN 25 H GLN 25 4.785 -13.679 4.826 177 HA GLN 25 HA GLN 25 1.971 -12.980 4.491 178 1HB GLN 25 2HB GLN 25 3.943 -12.619 6.785 179 2HB GLN 25 3HB GLN 25 2.308 -11.941 6.791 180 1HG GLN 25 2HG GLN 25 1.434 -14.278 6.265 181 2HG GLN 25 3HG GLN 25 3.048 -14.889 6.649 182 1HE2 GLN 25 2HE2 GLN 25 3.829 -14.596 9.005 183 2HE2 GLN 25 1HE2 GLN 25 2.597 -14.248 10.189 184 H VAL 26 H VAL 26 5.077 -11.110 4.735 185 HA VAL 26 HA VAL 26 3.801 -8.554 4.533 186 HB VAL 26 HB VAL 26 6.542 -9.479 3.481 187 1HG1 VAL 26 1HG1 VAL 26 6.975 -6.934 3.791 188 2HG1 VAL 26 2HG1 VAL 26 6.081 -7.430 2.337 189 3HG1 VAL 26 3HG1 VAL 26 5.223 -6.754 3.741 190 1HG2 VAL 26 1HG2 VAL 26 6.381 -9.710 5.865 191 2HG2 VAL 26 2HG2 VAL 26 7.266 -8.208 5.555 192 3HG2 VAL 26 3HG2 VAL 26 5.540 -8.123 5.964 193 H LYS 27 H LYS 27 4.971 -10.847 2.135 194 HA LYS 27 HA LYS 27 4.598 -9.222 -0.107 195 1HB LYS 27 2HB LYS 27 5.873 -11.506 0.251 196 2HB LYS 27 3HB LYS 27 4.310 -12.244 -0.186 197 1HG LYS 27 2HG LYS 27 4.317 -10.797 -2.205 198 2HG LYS 27 3HG LYS 27 5.904 -10.149 -1.719 199 1HD LYS 27 2HD LYS 27 6.008 -11.915 -3.510 200 2HD LYS 27 3HD LYS 27 6.954 -12.324 -2.064 201 1HE LYS 27 2HE LYS 27 5.393 -13.920 -1.319 202 2HE LYS 27 3HE LYS 27 4.070 -13.205 -2.251 203 1HZ LYS 27 1HZ LYS 27 5.164 -13.996 -4.261 204 2HZ LYS 27 2HZ LYS 27 6.330 -14.745 -3.370 205 3HZ LYS 27 3HZ LYS 27 4.753 -15.229 -3.259 206 H ASP 28 H ASP 28 2.366 -11.661 1.360 207 HA ASP 28 HA ASP 28 0.372 -11.294 -0.652 208 1HB ASP 28 2HB ASP 28 0.655 -13.220 1.043 209 2HB ASP 28 3HB ASP 28 -0.163 -12.177 2.208 210 H ALA 29 H ALA 29 0.961 -9.797 2.507 211 HA ALA 29 HA ALA 29 -1.430 -8.252 2.638 212 1HB ALA 29 1HB ALA 29 -0.242 -6.917 4.284 213 2HB ALA 29 2HB ALA 29 0.206 -8.620 4.513 214 3HB ALA 29 3HB ALA 29 1.328 -7.519 3.692 215 H LEU 30 H LEU 30 1.689 -7.653 0.912 216 HA LEU 30 HA LEU 30 1.080 -4.941 0.185 217 1HB LEU 30 2HB LEU 30 3.060 -7.022 -0.802 218 2HB LEU 30 3HB LEU 30 2.900 -5.418 -1.503 219 HG LEU 30 HG LEU 30 3.616 -5.965 1.403 220 1HD1 LEU 30 1HD1 LEU 30 5.815 -5.052 0.690 221 2HD1 LEU 30 2HD1 LEU 30 5.418 -6.563 -0.162 222 3HD1 LEU 30 3HD1 LEU 30 5.213 -4.999 -0.987 223 1HD2 LEU 30 1HD2 LEU 30 4.175 -3.547 1.442 224 2HD2 LEU 30 2HD2 LEU 30 3.512 -3.373 -0.200 225 3HD2 LEU 30 3HD2 LEU 30 2.461 -3.822 1.151 226 H THR 31 H THR 31 0.521 -8.241 -1.167 227 HA THR 31 HA THR 31 -0.264 -7.255 -3.672 228 HB THR 31 HB THR 31 -1.307 -9.695 -2.227 229 HG1 THR 31 1HG THR 31 0.434 -10.712 -2.898 230 1HG2 THR 31 1HG2 THR 31 -1.006 -9.187 -5.217 231 2HG2 THR 31 2HG2 THR 31 -1.534 -10.712 -4.471 232 3HG2 THR 31 3HG2 THR 31 -2.546 -9.268 -4.326 233 H LYS 32 H LYS 32 -2.039 -7.941 -0.640 234 HA LYS 32 HA LYS 32 -4.624 -7.395 -1.723 235 1HB LYS 32 2HB LYS 32 -3.442 -7.804 0.994 236 2HB LYS 32 3HB LYS 32 -4.921 -6.835 0.896 237 1HG LYS 32 2HG LYS 32 -5.806 -8.781 -0.646 238 2HG LYS 32 3HG LYS 32 -4.568 -9.741 0.193 239 1HD LYS 32 2HD LYS 32 -5.576 -9.150 2.362 240 2HD LYS 32 3HD LYS 32 -6.651 -7.978 1.567 241 1HE LYS 32 2HE LYS 32 -7.486 -10.006 0.166 242 2HE LYS 32 3HE LYS 32 -6.770 -10.994 1.451 243 1HZ LYS 32 1HZ LYS 32 -8.829 -8.894 1.788 244 2HZ LYS 32 2HZ LYS 32 -9.080 -10.513 1.904 245 3HZ LYS 32 3HZ LYS 32 -8.153 -9.740 3.026 246 H MET 33 H MET 33 -2.343 -5.184 0.093 247 HA MET 33 HA MET 33 -4.209 -3.005 -0.360 248 1HB MET 33 2HB MET 33 -1.984 -1.578 -0.361 249 2HB MET 33 3HB MET 33 -2.817 -2.055 1.091 250 1HG MET 33 2HG MET 33 -1.096 -3.264 1.841 251 2HG MET 33 3HG MET 33 -0.765 -3.981 0.259 252 1HE MET 33 1HE MET 33 0.263 -0.253 2.233 253 2HE MET 33 2HE MET 33 0.238 0.401 0.590 254 3HE MET 33 3HE MET 33 -1.208 -0.385 1.271 255 H ARG 34 H ARG 34 -1.962 -4.680 -2.558 256 HA ARG 34 HA ARG 34 -1.841 -2.414 -4.360 257 1HB ARG 34 2HB ARG 34 -0.353 -4.537 -4.294 258 2HB ARG 34 3HB ARG 34 -1.679 -5.345 -5.112 259 1HG ARG 34 2HG ARG 34 -1.517 -3.517 -6.904 260 2HG ARG 34 3HG ARG 34 0.014 -3.027 -6.125 261 1HD ARG 34 2HD ARG 34 0.968 -5.224 -6.450 262 2HD ARG 34 3HD ARG 34 -0.622 -5.898 -6.855 263 HE ARG 34 HE ARG 34 0.414 -3.828 -8.656 264 1HH1 ARG 34 1HH2 ARG 34 0.092 -7.277 -7.972 265 2HH1 ARG 34 2HH2 ARG 34 0.186 -7.793 -9.616 266 1HH2 ARG 34 1HH1 ARG 34 0.630 -4.498 -10.880 267 2HH2 ARG 34 2HH1 ARG 34 0.527 -6.166 -11.306 268 H ALA 35 H ALA 35 -3.943 -5.314 -4.078 269 HA ALA 35 HA ALA 35 -5.547 -4.744 -6.360 270 1HB ALA 35 1HB ALA 35 -7.140 -6.325 -5.351 271 2HB ALA 35 2HB ALA 35 -5.481 -6.947 -5.227 272 3HB ALA 35 3HB ALA 35 -6.275 -6.241 -3.800 273 H ALA 36 H ALA 36 -5.999 -3.875 -2.861 274 HA ALA 36 HA ALA 36 -8.422 -2.458 -3.354 275 1HB ALA 36 1HB ALA 36 -8.133 -3.019 -1.141 276 2HB ALA 36 2HB ALA 36 -6.414 -2.570 -1.112 277 3HB ALA 36 3HB ALA 36 -7.669 -1.311 -1.103 278 H ALA 37 H ALA 37 -4.994 -1.274 -3.422 279 HA ALA 37 HA ALA 37 -5.704 1.461 -3.827 280 1HB ALA 37 1HB ALA 37 -3.447 0.591 -3.096 281 2HB ALA 37 2HB ALA 37 -3.180 0.044 -4.767 282 3HB ALA 37 3HB ALA 37 -3.394 1.772 -4.407 283 H LEU 38 H LEU 38 -5.340 -1.303 -6.032 284 HA LEU 38 HA LEU 38 -5.477 0.183 -8.493 285 1HB LEU 38 2HB LEU 38 -6.050 -2.671 -7.661 286 2HB LEU 38 3HB LEU 38 -6.638 -2.122 -9.218 287 HG LEU 38 HG LEU 38 -3.722 -2.072 -8.364 288 1HD1 LEU 38 1HD1 LEU 38 -5.239 -3.908 -10.279 289 2HD1 LEU 38 2HD1 LEU 38 -3.514 -4.014 -9.849 290 3HD1 LEU 38 3HD1 LEU 38 -4.759 -4.349 -8.632 291 1HD2 LEU 38 1HD2 LEU 38 -3.332 -0.835 -10.221 292 2HD2 LEU 38 2HD2 LEU 38 -4.197 -2.007 -11.230 293 3HD2 LEU 38 3HD2 LEU 38 -5.080 -0.675 -10.484 294 H ASP 39 H ASP 39 -7.968 -1.362 -6.372 295 HA ASP 39 HA ASP 39 -10.090 -0.536 -8.123 296 1HB ASP 39 2HB ASP 39 -9.851 -2.159 -5.803 297 2HB ASP 39 3HB ASP 39 -10.977 -0.870 -5.378 298 H ALA 40 H ALA 40 -8.432 0.955 -5.405 299 HA ALA 40 HA ALA 40 -10.058 3.104 -4.756 300 1HB ALA 40 1HB ALA 40 -7.059 3.278 -4.863 301 2HB ALA 40 2HB ALA 40 -8.210 4.160 -3.850 302 3HB ALA 40 3HB ALA 40 -7.986 2.427 -3.599 303 H GLN 41 H GLN 41 -7.814 2.526 -7.530 304 HA GLN 41 HA GLN 41 -7.421 5.052 -8.582 305 1HB GLN 41 2HB GLN 41 -6.404 2.634 -9.082 306 2HB GLN 41 3HB GLN 41 -7.750 2.523 -10.208 307 1HG GLN 41 2HG GLN 41 -6.427 3.404 -11.702 308 2HG GLN 41 3HG GLN 41 -6.783 4.947 -10.915 309 1HE2 GLN 41 2HE2 GLN 41 -4.920 3.791 -8.527 310 2HE2 GLN 41 1HE2 GLN 41 -3.377 4.315 -9.180 311 H LYS 42 H LYS 42 -10.239 2.903 -8.889 312 HA LYS 42 HA LYS 42 -11.428 4.882 -10.795 313 1HB LYS 42 2HB LYS 42 -12.672 3.082 -11.833 314 2HB LYS 42 3HB LYS 42 -10.935 2.864 -12.031 315 1HG LYS 42 2HG LYS 42 -10.853 1.007 -10.606 316 2HG LYS 42 3HG LYS 42 -12.346 1.443 -9.743 317 1HD LYS 42 2HD LYS 42 -13.739 0.838 -11.543 318 2HD LYS 42 3HD LYS 42 -12.400 0.844 -12.709 319 1HE LYS 42 2HE LYS 42 -11.419 -1.140 -11.647 320 2HE LYS 42 3HE LYS 42 -12.726 -1.180 -10.451 321 1HZ LYS 42 1HZ LYS 42 -13.112 -1.392 -13.375 322 2HZ LYS 42 2HZ LYS 42 -13.105 -2.670 -12.335 323 3HZ LYS 42 3HZ LYS 42 -14.285 -1.527 -12.229 324 H ALA 43 H ALA 43 -11.549 4.063 -7.667 325 HA ALA 43 HA ALA 43 -14.451 3.987 -7.356 326 1HB ALA 43 1HB ALA 43 -12.290 4.841 -5.405 327 2HB ALA 43 2HB ALA 43 -13.925 4.203 -5.024 328 3HB ALA 43 3HB ALA 43 -12.676 3.133 -5.690 329 H THR 44 H THR 44 -15.344 6.016 -6.020 330 HA THR 44 HA THR 44 -14.290 8.514 -7.264 331 HB THR 44 HB THR 44 -17.096 7.460 -6.960 332 HG1 THR 44 1HG THR 44 -15.930 8.941 -9.034 333 1HG2 THR 44 1HG2 THR 44 -16.274 10.387 -7.251 334 2HG2 THR 44 2HG2 THR 44 -17.878 9.747 -7.689 335 3HG2 THR 44 3HG2 THR 44 -17.336 9.677 -6.014 336 HA PRO 45 HA PRO 45 -14.193 9.258 -2.823 337 1HB PRO 45 2HB PRO 45 -12.175 11.164 -2.824 338 2HB PRO 45 3HB PRO 45 -11.814 9.414 -2.858 339 1HG PRO 45 2HG PRO 45 -11.841 11.332 -5.141 340 2HG PRO 45 3HG PRO 45 -10.714 9.989 -4.788 341 1HD PRO 45 2HD PRO 45 -12.819 9.873 -6.591 342 2HD PRO 45 3HD PRO 45 -12.161 8.428 -5.760 343 HA PRO 46 HA PRO 46 -16.829 12.669 -3.139 344 1HB PRO 46 2HB PRO 46 -16.986 13.495 -0.526 345 2HB PRO 46 3HB PRO 46 -17.720 11.971 -1.113 346 1HG PRO 46 2HG PRO 46 -15.094 12.348 0.334 347 2HG PRO 46 3HG PRO 46 -16.351 11.099 0.604 348 1HD PRO 46 2HD PRO 46 -14.048 10.715 -0.900 349 2HD PRO 46 3HD PRO 46 -15.539 9.796 -1.163 350 H LYS 47 H LYS 47 -13.659 12.813 -1.661 351 HA LYS 47 HA LYS 47 -13.397 15.623 -1.406 352 1HB LYS 47 2HB LYS 47 -12.174 13.803 -0.176 353 2HB LYS 47 3HB LYS 47 -11.325 13.392 -1.664 354 1HG LYS 47 2HG LYS 47 -10.151 14.813 0.116 355 2HG LYS 47 3HG LYS 47 -9.966 15.223 -1.597 356 1HD LYS 47 2HD LYS 47 -11.794 17.040 -1.118 357 2HD LYS 47 3HD LYS 47 -11.460 16.676 0.604 358 1HE LYS 47 2HE LYS 47 -9.027 16.907 0.103 359 2HE LYS 47 3HE LYS 47 -9.411 17.330 -1.572 360 1HZ LYS 47 1HZ LYS 47 -10.163 18.886 0.808 361 2HZ LYS 47 2HZ LYS 47 -8.956 19.241 -0.248 362 3HZ LYS 47 3HZ LYS 47 -10.530 19.287 -0.759 363 H LEU 48 H LEU 48 -12.868 13.427 -4.094 364 HA LEU 48 HA LEU 48 -12.255 15.711 -5.868 365 1HB LEU 48 2HB LEU 48 -10.793 13.043 -5.861 366 2HB LEU 48 3HB LEU 48 -10.726 14.182 -7.193 367 HG LEU 48 HG LEU 48 -9.966 15.092 -4.416 368 1HD1 LEU 48 1HD1 LEU 48 -7.901 14.053 -6.321 369 2HD1 LEU 48 2HD1 LEU 48 -7.844 14.385 -4.583 370 3HD1 LEU 48 3HD1 LEU 48 -8.701 12.943 -5.174 371 1HD2 LEU 48 1HD2 LEU 48 -10.162 16.836 -6.165 372 2HD2 LEU 48 2HD2 LEU 48 -8.459 16.593 -5.737 373 3HD2 LEU 48 3HD2 LEU 48 -9.093 15.898 -7.233 374 H GLU 49 H GLU 49 -14.731 15.020 -5.337 375 HA GLU 49 HA GLU 49 -15.578 12.724 -6.894 376 1HB GLU 49 2HB GLU 49 -16.722 13.798 -4.856 377 2HB GLU 49 3HB GLU 49 -17.274 15.067 -5.931 378 1HG GLU 49 2HG GLU 49 -18.114 13.019 -7.409 379 2HG GLU 49 3HG GLU 49 -17.944 12.112 -5.901 380 H ASP 50 H ASP 50 -16.132 16.210 -7.130 381 HA ASP 50 HA ASP 50 -17.128 16.031 -9.828 382 1HB ASP 50 2HB ASP 50 -18.171 17.172 -7.834 383 2HB ASP 50 3HB ASP 50 -16.901 18.394 -7.929 384 H LYS 51 H LYS 51 -14.023 15.957 -9.359 385 HA LYS 51 HA LYS 51 -13.284 18.481 -10.643 386 1HB LYS 51 2HB LYS 51 -11.270 16.797 -11.563 387 2HB LYS 51 3HB LYS 51 -11.237 17.977 -10.314 388 1HG LYS 51 2HG LYS 51 -10.454 16.372 -9.047 389 2HG LYS 51 3HG LYS 51 -12.101 15.862 -8.821 390 1HD LYS 51 2HD LYS 51 -10.957 14.683 -11.307 391 2HD LYS 51 3HD LYS 51 -9.919 14.411 -9.895 392 1HE LYS 51 2HE LYS 51 -11.387 12.583 -9.784 393 2HE LYS 51 3HE LYS 51 -11.977 13.783 -8.654 394 1HZ LYS 51 1HZ LYS 51 -13.446 14.455 -10.731 395 2HZ LYS 51 2HZ LYS 51 -13.891 13.285 -9.666 396 3HZ LYS 51 3HZ LYS 51 -13.216 12.875 -11.101 397 H SER 52 H SER 52 -12.756 18.918 -12.728 398 HA SER 52 HA SER 52 -14.394 18.069 -14.759 399 1HB SER 52 2HB SER 52 -11.672 19.346 -14.618 400 2HB SER 52 3HB SER 52 -12.496 19.162 -16.181 401 HG SER 52 HG SER 52 -12.951 21.173 -15.169 402 HA PRO 53 HA PRO 53 -12.880 14.220 -16.169 403 1HB PRO 53 2HB PRO 53 -13.562 14.316 -18.848 404 2HB PRO 53 3HB PRO 53 -14.758 14.183 -17.523 405 1HG PRO 53 2HG PRO 53 -13.868 16.684 -18.995 406 2HG PRO 53 3HG PRO 53 -15.540 16.155 -18.611 407 1HD PRO 53 2HD PRO 53 -14.230 17.970 -17.078 408 2HD PRO 53 3HD PRO 53 -15.300 16.738 -16.339 409 H ASP 54 H ASP 54 -11.621 17.136 -17.696 410 HA ASP 54 HA ASP 54 -9.405 15.592 -18.949 411 1HB ASP 54 2HB ASP 54 -11.291 16.788 -20.319 412 2HB ASP 54 3HB ASP 54 -10.486 18.283 -19.859 413 H SER 55 H SER 55 -9.238 16.350 -16.246 414 HA SER 55 HA SER 55 -7.730 18.920 -16.303 415 1HB SER 55 2HB SER 55 -9.924 17.876 -14.630 416 2HB SER 55 3HB SER 55 -8.614 18.603 -13.700 417 HG SER 55 HG SER 55 -9.779 20.319 -14.265 418 HA PRO 56 HA PRO 56 -4.198 17.364 -14.247 419 1HB PRO 56 2HB PRO 56 -3.326 19.561 -12.915 420 2HB PRO 56 3HB PRO 56 -3.479 19.543 -14.697 421 1HG PRO 56 2HG PRO 56 -5.502 20.592 -12.687 422 2HG PRO 56 3HG PRO 56 -4.811 21.452 -14.106 423 1HD PRO 56 2HD PRO 56 -7.178 20.151 -14.220 424 2HD PRO 56 3HD PRO 56 -6.066 20.163 -15.619 425 H GLU 57 H GLU 57 -6.945 17.067 -12.770 426 HA GLU 57 HA GLU 57 -5.789 16.670 -10.039 427 1HB GLU 57 2HB GLU 57 -8.591 17.485 -10.892 428 2HB GLU 57 3HB GLU 57 -8.216 16.781 -9.307 429 1HG GLU 57 2HG GLU 57 -6.477 18.598 -8.996 430 2HG GLU 57 3HG GLU 57 -7.152 19.395 -10.430 431 H MET 58 H MET 58 -7.923 15.337 -12.662 432 HA MET 58 HA MET 58 -8.531 12.975 -11.159 433 1HB MET 58 2HB MET 58 -9.748 13.935 -13.205 434 2HB MET 58 3HB MET 58 -8.443 13.271 -14.193 435 1HG MET 58 2HG MET 58 -9.340 11.228 -12.352 436 2HG MET 58 3HG MET 58 -10.758 11.972 -13.084 437 1HE MET 58 1HE MET 58 -10.574 9.113 -13.350 438 2HE MET 58 2HE MET 58 -11.723 10.041 -14.342 439 3HE MET 58 3HE MET 58 -10.731 8.769 -15.091 440 H LYS 59 H LYS 59 -5.996 13.825 -13.499 441 HA LYS 59 HA LYS 59 -4.744 11.208 -13.506 442 1HB LYS 59 2HB LYS 59 -4.128 13.969 -14.530 443 2HB LYS 59 3HB LYS 59 -2.747 12.885 -14.279 444 1HG LYS 59 2HG LYS 59 -3.686 11.180 -15.666 445 2HG LYS 59 3HG LYS 59 -5.245 12.015 -15.789 446 1HD LYS 59 2HD LYS 59 -4.362 13.715 -17.190 447 2HD LYS 59 3HD LYS 59 -2.675 13.277 -16.811 448 1HE LYS 59 2HE LYS 59 -2.915 11.122 -17.908 449 2HE LYS 59 3HE LYS 59 -4.646 11.388 -18.167 450 1HZ LYS 59 1HZ LYS 59 -2.494 12.998 -19.388 451 2HZ LYS 59 2HZ LYS 59 -3.344 11.813 -20.149 452 3HZ LYS 59 3HZ LYS 59 -4.110 13.181 -19.656 453 H ASP 60 H ASP 60 -4.224 14.208 -11.616 454 HA ASP 60 HA ASP 60 -1.871 13.133 -10.363 455 1HB ASP 60 2HB ASP 60 -3.103 15.643 -10.640 456 2HB ASP 60 3HB ASP 60 -3.241 15.317 -8.918 457 H PHE 61 H PHE 61 -5.267 12.945 -9.690 458 HA PHE 61 HA PHE 61 -5.273 12.210 -6.938 459 1HB PHE 61 2HB PHE 61 -7.366 12.777 -7.962 460 2HB PHE 61 3HB PHE 61 -7.064 11.746 -9.331 461 HD1 PHE 61 HD1 PHE 61 -8.623 10.043 -9.495 462 HD2 PHE 61 HD2 PHE 61 -7.027 11.077 -5.624 463 HE1 PHE 61 HE1 PHE 61 -9.882 8.161 -8.471 464 HE2 PHE 61 HE2 PHE 61 -8.254 9.173 -4.616 465 HZ PHE 61 HZ PHE 61 -9.712 7.732 -6.044 466 H ARG 62 H ARG 62 -5.652 10.090 -9.740 467 HA ARG 62 HA ARG 62 -5.124 7.734 -8.275 468 1HB ARG 62 2HB ARG 62 -4.577 6.715 -10.472 469 2HB ARG 62 3HB ARG 62 -6.118 7.585 -10.444 470 1HG ARG 62 2HG ARG 62 -4.886 9.551 -11.493 471 2HG ARG 62 3HG ARG 62 -3.471 8.505 -11.686 472 1HD ARG 62 2HD ARG 62 -6.224 7.695 -12.676 473 2HD ARG 62 3HD ARG 62 -5.211 8.814 -13.606 474 HE ARG 62 HE ARG 62 -3.731 6.448 -12.871 475 1HH1 ARG 62 1HH2 ARG 62 -6.398 7.448 -14.899 476 2HH1 ARG 62 2HH2 ARG 62 -5.958 6.526 -16.294 477 1HH2 ARG 62 1HH1 ARG 62 -2.981 5.282 -14.743 478 2HH2 ARG 62 2HH1 ARG 62 -3.926 5.233 -16.196 479 H HIS 63 H HIS 63 -2.750 10.156 -9.486 480 HA HIS 63 HA HIS 63 -0.566 8.451 -9.501 481 1HB HIS 63 2HB HIS 63 -0.711 10.861 -10.275 482 2HB HIS 63 3HB HIS 63 -0.498 11.325 -8.583 483 HD1 HIS 63 HD1 HIS 63 1.922 11.843 -8.120 484 HD2 HIS 63 HD2 HIS 63 1.388 8.837 -11.005 485 HE1 HIS 63 HE1 HIS 63 4.288 11.176 -8.962 486 H GLY 64 H GLY 64 -2.226 9.999 -6.681 487 1HA GLY 64 2HA GLY 64 -0.441 9.312 -4.656 488 2HA GLY 64 3HA GLY 64 -2.205 9.313 -4.513 489 H PHE 65 H PHE 65 -2.943 7.126 -6.125 490 HA PHE 65 HA PHE 65 -1.930 4.894 -4.537 491 1HB PHE 65 2HB PHE 65 -3.609 4.873 -7.072 492 2HB PHE 65 3HB PHE 65 -3.452 3.522 -5.945 493 HD1 PHE 65 HD1 PHE 65 -3.699 4.832 -3.340 494 HD2 PHE 65 HD2 PHE 65 -5.845 5.561 -7.004 495 HE1 PHE 65 HE1 PHE 65 -5.313 6.094 -2.123 496 HE2 PHE 65 HE2 PHE 65 -7.663 6.639 -5.710 497 HZ PHE 65 HZ PHE 65 -7.406 6.978 -3.248 498 H ASP 66 H ASP 66 -0.986 6.410 -7.443 499 HA ASP 66 HA ASP 66 -0.176 3.993 -8.897 500 1HB ASP 66 2HB ASP 66 -0.906 6.301 -9.839 501 2HB ASP 66 3HB ASP 66 0.778 6.786 -9.556 502 H ILE 67 H ILE 67 1.455 6.640 -7.179 503 HA ILE 67 HA ILE 67 4.121 5.757 -7.145 504 HB ILE 67 HB ILE 67 2.470 7.048 -4.893 505 1HG1 ILE 67 2HG1 ILE 67 3.908 8.094 -7.347 506 2HG1 ILE 67 3HG1 ILE 67 2.367 8.567 -6.647 507 1HG2 ILE 67 1HG2 ILE 67 4.659 7.778 -3.988 508 2HG2 ILE 67 2HG2 ILE 67 4.602 6.034 -4.088 509 3HG2 ILE 67 3HG2 ILE 67 5.501 6.952 -5.320 510 1HD1 ILE 67 1HD1 ILE 67 5.096 9.391 -5.663 511 2HD1 ILE 67 2HD1 ILE 67 3.837 10.400 -6.387 512 3HD1 ILE 67 3HD1 ILE 67 3.571 9.702 -4.780 513 H LEU 68 H LEU 68 1.318 4.810 -5.149 514 HA LEU 68 HA LEU 68 2.827 3.222 -3.340 515 1HB LEU 68 2HB LEU 68 -0.016 3.860 -3.828 516 2HB LEU 68 3HB LEU 68 0.276 2.221 -3.201 517 HG LEU 68 HG LEU 68 1.466 3.143 -1.286 518 1HD1 LEU 68 1HD1 LEU 68 1.195 5.664 -2.852 519 2HD1 LEU 68 2HD1 LEU 68 1.584 5.584 -1.089 520 3HD1 LEU 68 3HD1 LEU 68 2.724 4.962 -2.281 521 1HD2 LEU 68 1HD2 LEU 68 -0.966 3.136 -1.264 522 2HD2 LEU 68 2HD2 LEU 68 -0.272 4.557 -0.394 523 3HD2 LEU 68 3HD2 LEU 68 -0.983 4.759 -2.013 524 H VAL 69 H VAL 69 0.939 2.517 -6.300 525 HA VAL 69 HA VAL 69 1.179 -0.324 -6.269 526 HB VAL 69 HB VAL 69 0.429 1.881 -8.159 527 1HG1 VAL 69 1HG1 VAL 69 1.619 0.447 -9.716 528 2HG1 VAL 69 2HG1 VAL 69 0.721 -0.980 -9.131 529 3HG1 VAL 69 3HG1 VAL 69 -0.122 0.349 -9.975 530 1HG2 VAL 69 1HG2 VAL 69 -0.947 0.009 -6.455 531 2HG2 VAL 69 2HG2 VAL 69 -1.610 1.321 -7.436 532 3HG2 VAL 69 3HG2 VAL 69 -1.442 -0.297 -8.126 533 H GLY 70 H GLY 70 3.306 2.249 -7.584 534 1HA GLY 70 2HA GLY 70 5.056 0.389 -8.930 535 2HA GLY 70 3HA GLY 70 5.392 2.090 -8.550 536 H GLN 71 H GLN 71 5.164 2.096 -5.755 537 HA GLN 71 HA GLN 71 7.686 0.985 -4.936 538 1HB GLN 71 2HB GLN 71 5.300 2.033 -3.356 539 2HB GLN 71 3HB GLN 71 6.829 1.531 -2.620 540 1HG GLN 71 2HG GLN 71 8.053 3.278 -3.794 541 2HG GLN 71 3HG GLN 71 6.596 3.768 -4.669 542 1HE2 GLN 71 2HE2 GLN 71 7.087 5.945 -3.604 543 2HE2 GLN 71 1HE2 GLN 71 6.465 6.173 -1.969 544 H ILE 72 H ILE 72 4.332 -0.205 -4.841 545 HA ILE 72 HA ILE 72 4.883 -2.436 -3.095 546 HB ILE 72 HB ILE 72 2.656 -1.981 -5.129 547 1HG1 ILE 72 2HG1 ILE 72 2.619 -2.247 -2.078 548 2HG1 ILE 72 3HG1 ILE 72 2.714 -0.743 -2.958 549 1HG2 ILE 72 1HG2 ILE 72 1.659 -4.041 -3.912 550 2HG2 ILE 72 2HG2 ILE 72 2.954 -4.378 -5.066 551 3HG2 ILE 72 3HG2 ILE 72 3.288 -4.312 -3.312 552 1HD1 ILE 72 1HD1 ILE 72 0.343 -2.570 -2.939 553 2HD1 ILE 72 2HD1 ILE 72 0.483 -0.919 -2.319 554 3HD1 ILE 72 3HD1 ILE 72 0.546 -1.192 -4.064 555 H ASP 73 H ASP 73 5.243 -1.896 -6.629 556 HA ASP 73 HA ASP 73 5.578 -4.655 -7.247 557 1HB ASP 73 2HB ASP 73 5.183 -2.526 -8.752 558 2HB ASP 73 3HB ASP 73 6.946 -2.464 -8.820 559 H ASP 74 H ASP 74 7.919 -2.056 -6.503 560 HA ASP 74 HA ASP 74 10.247 -3.729 -6.530 561 1HB ASP 74 2HB ASP 74 9.562 -0.992 -5.620 562 2HB ASP 74 3HB ASP 74 10.761 -1.777 -4.596 563 H ALA 75 H ALA 75 8.170 -2.738 -3.784 564 HA ALA 75 HA ALA 75 9.533 -4.206 -1.822 565 1HB ALA 75 1HB ALA 75 7.538 -3.883 -0.444 566 2HB ALA 75 2HB ALA 75 7.946 -2.411 -1.342 567 3HB ALA 75 3HB ALA 75 6.603 -3.427 -1.896 568 H LEU 76 H LEU 76 7.078 -5.431 -4.134 569 HA LEU 76 HA LEU 76 6.709 -8.033 -3.033 570 1HB LEU 76 2HB LEU 76 6.369 -6.559 -5.600 571 2HB LEU 76 3HB LEU 76 6.760 -8.225 -5.829 572 HG LEU 76 HG LEU 76 4.400 -7.416 -5.763 573 1HD1 LEU 76 1HD1 LEU 76 3.874 -9.594 -5.729 574 2HD1 LEU 76 2HD1 LEU 76 5.540 -9.922 -5.216 575 3HD1 LEU 76 3HD1 LEU 76 4.252 -9.742 -4.017 576 1HD2 LEU 76 1HD2 LEU 76 3.861 -6.248 -3.967 577 2HD2 LEU 76 2HD2 LEU 76 4.826 -7.171 -2.823 578 3HD2 LEU 76 3HD2 LEU 76 3.280 -7.813 -3.415 579 H LYS 77 H LYS 77 9.024 -6.653 -5.387 580 HA LYS 77 HA LYS 77 10.449 -9.020 -5.953 581 1HB LYS 77 2HB LYS 77 10.543 -6.728 -7.133 582 2HB LYS 77 3HB LYS 77 11.596 -6.190 -5.830 583 1HG LYS 77 2HG LYS 77 13.207 -6.805 -7.300 584 2HG LYS 77 3HG LYS 77 12.994 -8.359 -6.477 585 1HD LYS 77 2HD LYS 77 11.191 -8.837 -8.288 586 2HD LYS 77 3HD LYS 77 11.872 -7.462 -9.166 587 1HE LYS 77 2HE LYS 77 13.636 -9.706 -8.118 588 2HE LYS 77 3HE LYS 77 12.734 -9.906 -9.629 589 1HZ LYS 77 1HZ LYS 77 14.758 -7.835 -9.074 590 2HZ LYS 77 2HZ LYS 77 14.895 -9.105 -10.112 591 3HZ LYS 77 3HZ LYS 77 13.835 -7.890 -10.439 592 H LEU 78 H LEU 78 11.046 -6.519 -3.550 593 HA LEU 78 HA LEU 78 13.415 -7.597 -2.426 594 1HB LEU 78 2HB LEU 78 11.287 -5.791 -1.181 595 2HB LEU 78 3HB LEU 78 12.898 -6.045 -0.509 596 HG LEU 78 HG LEU 78 12.419 -4.910 -3.295 597 1HD1 LEU 78 1HD1 LEU 78 13.103 -2.707 -2.179 598 2HD1 LEU 78 2HD1 LEU 78 11.457 -3.265 -1.890 599 3HD1 LEU 78 3HD1 LEU 78 12.698 -3.482 -0.635 600 1HD2 LEU 78 1HD2 LEU 78 14.608 -4.519 -3.495 601 2HD2 LEU 78 2HD2 LEU 78 14.878 -4.298 -1.756 602 3HD2 LEU 78 3HD2 LEU 78 14.744 -5.932 -2.433 603 H ALA 79 H ALA 79 9.981 -7.887 -1.326 604 HA ALA 79 HA ALA 79 10.578 -9.489 0.924 605 1HB ALA 79 1HB ALA 79 8.378 -8.361 0.453 606 2HB ALA 79 2HB ALA 79 8.062 -9.579 -0.797 607 3HB ALA 79 3HB ALA 79 8.210 -10.069 0.907 608 H ASN 80 H ASN 80 10.038 -10.409 -2.537 609 HA ASN 80 HA ASN 80 9.953 -13.195 -2.139 610 1HB ASN 80 2HB ASN 80 9.159 -11.614 -4.045 611 2HB ASN 80 3HB ASN 80 10.845 -11.637 -4.588 612 1HD2 ASN 80 2HD2 ASN 80 10.454 -12.753 -6.522 613 2HD2 ASN 80 1HD2 ASN 80 9.784 -14.374 -6.492 614 H GLU 81 H GLU 81 12.635 -10.858 -2.615 615 HA GLU 81 HA GLU 81 14.696 -12.899 -2.842 616 1HB GLU 81 2HB GLU 81 14.629 -9.901 -2.400 617 2HB GLU 81 3HB GLU 81 16.082 -10.791 -1.979 618 1HG GLU 81 2HG GLU 81 15.884 -11.832 -4.378 619 2HG GLU 81 3HG GLU 81 14.839 -10.441 -4.702 620 H GLY 82 H GLY 82 12.637 -12.278 -0.269 621 1HA GLY 82 2HA GLY 82 12.805 -13.212 1.853 622 2HA GLY 82 3HA GLY 82 14.542 -13.476 1.623 623 H LYS 83 H LYS 83 13.794 -10.281 0.669 624 HA LYS 83 HA LYS 83 14.831 -9.195 3.197 625 1HB LYS 83 2HB LYS 83 14.306 -8.096 0.446 626 2HB LYS 83 3HB LYS 83 14.287 -6.972 1.806 627 1HG LYS 83 2HG LYS 83 16.485 -7.442 2.433 628 2HG LYS 83 3HG LYS 83 16.456 -9.038 1.678 629 1HD LYS 83 2HD LYS 83 16.327 -7.666 -0.593 630 2HD LYS 83 3HD LYS 83 17.021 -6.379 0.430 631 1HE LYS 83 2HE LYS 83 18.499 -8.421 1.331 632 2HE LYS 83 3HE LYS 83 18.094 -9.130 -0.240 633 1HZ LYS 83 1HZ LYS 83 20.175 -7.882 -0.220 634 2HZ LYS 83 2HZ LYS 83 19.362 -6.492 0.148 635 3HZ LYS 83 3HZ LYS 83 19.101 -7.247 -1.296 636 H VAL 84 H VAL 84 13.046 -10.241 4.367 637 HA VAL 84 HA VAL 84 10.424 -9.111 4.376 638 HB VAL 84 HB VAL 84 12.173 -10.126 6.682 639 1HG1 VAL 84 1HG1 VAL 84 9.806 -10.604 7.674 640 2HG1 VAL 84 2HG1 VAL 84 10.429 -8.954 7.751 641 3HG1 VAL 84 3HG1 VAL 84 9.234 -9.389 6.511 642 1HG2 VAL 84 1HG2 VAL 84 10.226 -11.467 4.803 643 2HG2 VAL 84 2HG2 VAL 84 11.924 -11.891 5.081 644 3HG2 VAL 84 3HG2 VAL 84 10.725 -12.205 6.340 645 H LYS 85 H LYS 85 13.604 -7.997 5.568 646 HA LYS 85 HA LYS 85 12.423 -6.019 7.283 647 1HB LYS 85 2HB LYS 85 14.799 -7.245 7.332 648 2HB LYS 85 3HB LYS 85 15.307 -5.850 6.355 649 1HG LYS 85 2HG LYS 85 14.502 -4.308 8.081 650 2HG LYS 85 3HG LYS 85 13.751 -5.648 8.973 651 1HD LYS 85 2HD LYS 85 16.043 -6.664 9.268 652 2HD LYS 85 3HD LYS 85 16.722 -5.163 8.577 653 1HE LYS 85 2HE LYS 85 15.311 -3.907 10.318 654 2HE LYS 85 3HE LYS 85 14.957 -5.477 11.053 655 1HZ LYS 85 1HZ LYS 85 17.639 -4.289 10.725 656 2HZ LYS 85 2HZ LYS 85 16.799 -4.405 12.134 657 3HZ LYS 85 3HZ LYS 85 17.337 -5.770 11.386 658 H GLU 86 H GLU 86 14.046 -5.903 4.052 659 HA GLU 86 HA GLU 86 13.691 -3.073 3.870 660 1HB GLU 86 2HB GLU 86 15.118 -5.038 2.502 661 2HB GLU 86 3HB GLU 86 13.879 -4.541 1.324 662 1HG GLU 86 2HG GLU 86 14.510 -2.120 1.993 663 2HG GLU 86 3HG GLU 86 15.928 -2.821 2.780 664 H ALA 87 H ALA 87 11.603 -5.876 3.180 665 HA ALA 87 HA ALA 87 9.692 -4.369 1.654 666 1HB ALA 87 1HB ALA 87 8.234 -6.256 2.041 667 2HB ALA 87 2HB ALA 87 9.856 -6.846 1.668 668 3HB ALA 87 3HB ALA 87 9.286 -6.866 3.350 669 H GLN 88 H GLN 88 10.157 -4.931 5.213 670 HA GLN 88 HA GLN 88 7.756 -3.423 5.886 671 1HB GLN 88 2HB GLN 88 10.265 -3.834 7.569 672 2HB GLN 88 3HB GLN 88 8.711 -3.205 8.125 673 1HG GLN 88 2HG GLN 88 7.638 -5.382 7.550 674 2HG GLN 88 3HG GLN 88 9.222 -6.027 7.139 675 1HE2 GLN 88 2HE2 GLN 88 7.307 -6.827 9.358 676 2HE2 GLN 88 1HE2 GLN 88 8.287 -6.718 10.790 677 H ALA 89 H ALA 89 11.187 -2.558 5.262 678 HA ALA 89 HA ALA 89 10.909 0.112 6.290 679 1HB ALA 89 1HB ALA 89 12.880 -0.950 4.216 680 2HB ALA 89 2HB ALA 89 13.045 0.532 5.181 681 3HB ALA 89 3HB ALA 89 13.095 -1.052 5.983 682 H ALA 90 H ALA 90 10.371 -1.387 3.100 683 HA ALA 90 HA ALA 90 9.840 1.031 1.682 684 1HB ALA 90 1HB ALA 90 8.916 -1.841 1.291 685 2HB ALA 90 2HB ALA 90 8.486 -0.513 0.189 686 3HB ALA 90 3HB ALA 90 10.189 -0.960 0.415 687 H ALA 91 H ALA 91 7.820 -0.911 3.980 688 HA ALA 91 HA ALA 91 5.398 0.412 3.305 689 1HB ALA 91 1HB ALA 91 5.110 -1.414 4.714 690 2HB ALA 91 2HB ALA 91 6.277 -0.833 5.919 691 3HB ALA 91 3HB ALA 91 4.738 -0.010 5.725 692 H GLU 92 H GLU 92 8.226 1.719 5.079 693 HA GLU 92 HA GLU 92 6.807 3.998 6.095 694 1HB GLU 92 2HB GLU 92 9.702 3.809 5.161 695 2HB GLU 92 3HB GLU 92 8.970 5.159 6.013 696 1HG GLU 92 2HG GLU 92 8.270 3.077 7.680 697 2HG GLU 92 3HG GLU 92 9.830 2.513 7.068 698 H GLN 93 H GLN 93 8.172 3.288 2.849 699 HA GLN 93 HA GLN 93 7.786 5.997 1.917 700 1HB GLN 93 2HB GLN 93 8.053 3.416 0.320 701 2HB GLN 93 3HB GLN 93 8.028 5.069 -0.327 702 1HG GLN 93 2HG GLN 93 10.011 5.591 1.154 703 2HG GLN 93 3HG GLN 93 10.149 3.846 1.457 704 1HE2 GLN 93 2HE2 GLN 93 12.277 5.241 0.195 705 2HE2 GLN 93 1HE2 GLN 93 12.295 4.754 -1.497 706 H LEU 94 H LEU 94 5.790 2.965 1.467 707 HA LEU 94 HA LEU 94 3.776 4.237 -0.019 708 1HB LEU 94 2HB LEU 94 3.529 1.907 1.950 709 2HB LEU 94 3HB LEU 94 2.311 2.381 0.768 710 HG LEU 94 HG LEU 94 4.634 2.196 -0.767 711 1HD1 LEU 94 1HD1 LEU 94 5.149 -0.363 -0.295 712 2HD1 LEU 94 2HD1 LEU 94 6.018 0.908 0.501 713 3HD1 LEU 94 3HD1 LEU 94 4.684 0.055 1.353 714 1HD2 LEU 94 1HD2 LEU 94 2.371 1.360 -1.440 715 2HD2 LEU 94 2HD2 LEU 94 3.811 0.478 -1.868 716 3HD2 LEU 94 3HD2 LEU 94 2.752 -0.120 -0.534 717 H LYS 95 H LYS 95 4.226 3.840 3.454 718 HA LYS 95 HA LYS 95 1.911 5.138 4.424 719 1HB LYS 95 2HB LYS 95 3.411 3.582 5.624 720 2HB LYS 95 3HB LYS 95 4.593 4.911 5.746 721 1HG LYS 95 2HG LYS 95 2.650 6.222 6.899 722 2HG LYS 95 3HG LYS 95 1.807 4.658 6.941 723 1HD LYS 95 2HD LYS 95 3.918 3.689 8.004 724 2HD LYS 95 3HD LYS 95 4.510 5.362 8.155 725 1HE LYS 95 2HE LYS 95 2.589 5.970 9.523 726 2HE LYS 95 3HE LYS 95 1.830 4.393 9.238 727 1HZ LYS 95 1HZ LYS 95 4.391 4.766 10.657 728 2HZ LYS 95 2HZ LYS 95 2.940 4.514 11.392 729 3HZ LYS 95 3HZ LYS 95 3.596 3.335 10.460 730 H THR 96 H THR 96 5.017 6.449 3.313 731 HA THR 96 HA THR 96 4.565 9.055 4.529 732 HB THR 96 HB THR 96 6.485 7.927 2.489 733 HG1 THR 96 1HG THR 96 7.667 7.896 4.181 734 1HG2 THR 96 1HG2 THR 96 6.223 10.856 3.279 735 2HG2 THR 96 2HG2 THR 96 7.631 10.141 2.465 736 3HG2 THR 96 3HG2 THR 96 6.068 10.183 1.634 737 H THR 97 H THR 97 3.986 7.458 1.309 738 HA THR 97 HA THR 97 2.751 9.834 0.252 739 HB THR 97 HB THR 97 2.952 6.948 -0.493 740 HG1 THR 97 1HG THR 97 3.229 8.590 -2.468 741 1HG2 THR 97 1HG2 THR 97 1.116 9.069 -1.756 742 2HG2 THR 97 2HG2 THR 97 1.581 7.650 -2.624 743 3HG2 THR 97 3HG2 THR 97 0.572 7.503 -1.162 744 H CYS 98 H CYS 98 1.510 7.105 2.291 745 HA CYS 98 HA CYS 98 -1.213 7.554 1.873 746 1HB CYS 98 2HB CYS 98 0.004 7.085 4.648 747 2HB CYS 98 3HB CYS 98 -1.666 6.876 4.178 748 H ASN 99 H ASN 99 0.994 9.014 4.206 749 HA ASN 99 HA ASN 99 -0.968 10.897 5.128 750 1HB ASN 99 2HB ASN 99 1.986 10.423 5.624 751 2HB ASN 99 3HB ASN 99 1.197 11.889 6.234 752 1HD2 ASN 99 2HD2 ASN 99 1.949 8.715 7.090 753 2HD2 ASN 99 1HD2 ASN 99 0.687 8.546 8.310 754 H ALA 100 H ALA 100 1.596 11.132 2.712 755 HA ALA 100 HA ALA 100 1.660 14.000 2.660 756 1HB ALA 100 1HB ALA 100 2.337 12.676 0.078 757 2HB ALA 100 2HB ALA 100 3.258 13.817 1.065 758 3HB ALA 100 3HB ALA 100 3.277 12.106 1.467 759 H TYR 101 H TYR 101 0.169 11.609 0.310 760 HA TYR 101 HA TYR 101 -1.505 13.553 -0.840 761 1HB TYR 101 2HB TYR 101 -1.735 10.569 -0.555 762 2HB TYR 101 3HB TYR 101 -3.079 11.512 -1.185 763 HD1 TYR 101 HD1 TYR 101 0.607 11.051 -1.693 764 HD2 TYR 101 HD2 TYR 101 -3.124 12.238 -3.435 765 HE1 TYR 101 HE1 TYR 101 1.719 11.251 -3.917 766 HE2 TYR 101 HE2 TYR 101 -2.016 12.614 -5.601 767 HH TYR 101 HH TYR 101 -0.058 12.587 -6.740 768 H HIS 102 HN HIS 102 -2.281 11.446 2.050 769 HA HIS 102 HA HIS 102 -4.810 12.485 2.458 770 1HB HIS 102 2HB HIS 102 -2.770 11.388 4.394 771 2HB HIS 102 3HB HIS 102 -4.254 12.028 5.010 772 HD1 HIS 102 HND HIS 102 -4.577 9.650 6.048 773 HD2 HIS 102 HD HIS 102 -4.736 9.919 1.885 774 HE1 HIS 102 HE HIS 102 -5.808 7.620 5.331 775 H GLN 103 H GLN 103 -1.848 14.323 2.982 776 HA GLN 103 HA GLN 103 -3.018 16.049 4.971 777 1HB GLN 103 2HB GLN 103 -0.485 15.731 3.587 778 2HB GLN 103 3HB GLN 103 -0.963 17.400 3.451 779 1HG GLN 103 2HG GLN 103 -1.402 16.430 6.200 780 2HG GLN 103 3HG GLN 103 0.211 16.015 5.654 781 1HE2 GLN 103 2HE2 GLN 103 1.162 17.528 7.209 782 2HE2 GLN 103 1HE2 GLN 103 1.049 19.253 6.882 783 H LYS 104 H LYS 104 -3.489 15.828 1.591 784 HA LYS 104 HA LYS 104 -5.148 18.312 1.742 785 1HB LYS 104 2HB LYS 104 -3.828 17.459 -0.844 786 2HB LYS 104 3HB LYS 104 -4.675 18.950 -0.485 787 1HG LYS 104 2HG LYS 104 -2.623 19.834 -0.321 788 2HG LYS 104 3HG LYS 104 -2.588 19.143 1.306 789 1HD LYS 104 2HD LYS 104 -1.506 17.092 0.394 790 2HD LYS 104 3HD LYS 104 -1.612 17.745 -1.243 791 1HE LYS 104 2HE LYS 104 0.026 18.948 1.028 792 2HE LYS 104 3HE LYS 104 0.644 17.923 -0.276 793 1HZ LYS 104 1HZ LYS 104 -0.473 20.631 -0.538 794 2HZ LYS 104 2HZ LYS 104 1.047 20.121 -0.902 795 3HZ LYS 104 3HZ LYS 104 -0.220 19.645 -1.834 796 H TYR 105 H TYR 105 -4.696 15.196 0.158 797 HA TYR 105 HA TYR 105 -7.060 15.180 -1.437 798 1HB TYR 105 2HB TYR 105 -4.947 13.119 -0.650 799 2HB TYR 105 3HB TYR 105 -6.303 12.701 -1.634 800 HD1 TYR 105 HD1 TYR 105 -6.412 13.036 -3.851 801 HD2 TYR 105 HD2 TYR 105 -3.286 14.957 -1.610 802 HE1 TYR 105 HE1 TYR 105 -5.434 13.903 -5.960 803 HE2 TYR 105 HE2 TYR 105 -2.103 15.490 -3.738 804 HH TYR 105 HH TYR 105 -3.409 14.627 -6.929 805 H ARG 106 H ARG 106 -6.529 14.296 1.899 806 HA ARG 106 HA ARG 106 -9.197 13.169 1.952 807 1HB ARG 106 2HB ARG 106 -7.843 11.187 1.808 808 2HB ARG 106 3HB ARG 106 -6.762 11.678 3.095 809 1HG ARG 106 2HG ARG 106 -9.726 11.049 3.390 810 2HG ARG 106 3HG ARG 106 -8.347 9.999 3.801 811 1HD ARG 106 2HD ARG 106 -7.788 12.313 5.196 812 2HD ARG 106 3HD ARG 106 -9.565 12.133 5.306 813 HE ARG 106 HE ARG 106 -7.912 9.781 5.880 814 1HH1 ARG 106 1HH2 ARG 106 -9.845 12.472 7.078 815 2HH1 ARG 106 2HH2 ARG 106 -9.935 11.927 8.715 816 1HH2 ARG 106 1HH1 ARG 106 -7.873 9.076 8.103 817 2HH2 ARG 106 2HH1 ARG 106 -8.724 9.963 9.318 818 HHA HEB 107 MHG HEM 107 -10.527 7.936 3.906 819 HHB HEB 107 MHD HEM 107 -5.630 4.139 5.562 820 HHC HEB 107 MHA HEM 107 -2.486 6.213 0.361 821 HHD HEB 107 MHB HEM 107 -7.419 9.802 -1.404 822 1HMA HEB 107 1HM8 HEM 107 -9.047 4.276 7.355 823 2HMA HEB 107 2HM8 HEM 107 -7.711 3.433 6.574 824 3HMA HEB 107 3HM8 HEM 107 -7.370 4.763 7.705 825 1HAA HEB 107 1HP7 HEM 107 -10.346 6.100 7.206 826 2HAA HEB 107 2HP7 HEM 107 -10.223 7.676 6.436 827 1HBA HEB 107 3HP7 HEM 107 -12.244 5.635 6.038 828 2HBA HEB 107 4HP7 HEM 107 -11.528 6.031 4.504 829 1HMB HEB 107 1HM1 HEM 107 -2.230 2.838 4.362 830 2HMB HEB 107 2HM1 HEM 107 -2.893 3.786 5.708 831 3HMB HEB 107 3HM1 HEM 107 -3.908 2.604 4.853 832 HAB HEB 107 AHT2 HEM 107 -1.112 5.353 1.531 833 1HBB HEB 107 1HT2 HEM 107 -0.205 3.148 1.373 834 2HBB HEB 107 2HT2 HEM 107 -1.616 2.477 2.242 835 3HBB HEB 107 3HT2 HEM 107 -1.839 3.322 0.683 836 1HMC HEB 107 1HM3 HEM 107 -2.250 6.671 -1.771 837 2HMC HEB 107 2HM3 HEM 107 -2.435 8.217 -2.654 838 3HMC HEB 107 3HM3 HEM 107 -1.705 8.188 -1.040 839 HAC HEB 107 AHV4 HEM 107 -5.156 10.703 -2.436 840 1HBC HEB 107 CHV4 HEM 107 -4.489 8.237 -4.112 841 2HBC HEB 107 THV4 HEM 107 -5.291 9.820 -4.664 842 1HMD HEB 107 1HM5 HEM 107 -9.963 11.405 -0.428 843 2HMD HEB 107 2HM5 HEM 107 -9.668 10.168 -1.675 844 3HMD HEB 107 3HM5 HEM 107 -11.191 10.183 -0.766 845 1HAD HEB 107 1HP6 HEM 107 -11.685 9.456 3.037 846 2HAD HEB 107 2HP6 HEM 107 -11.744 10.512 1.619 847 1HBD HEB 107 3HP6 HEM 107 -12.487 8.446 0.316 848 2HBD HEB 107 4HP6 HEM 107 -12.610 7.614 1.886
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