NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
2747 | 1ck2 | 4339 | cing | recoord | dress | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H ALA 2 1H ALA 2 11.261 -0.763 -10.123 2 2H ALA 2 2H ALA 2 9.821 -0.027 -9.884 3 3H ALA 2 3H ALA 2 10.137 -0.749 -11.338 4 HA ALA 2 HA ALA 2 10.319 1.605 -11.566 5 1HB ALA 2 1HB ALA 2 11.825 1.151 -9.005 6 2HB ALA 2 2HB ALA 2 11.849 2.684 -9.871 7 3HB ALA 2 3HB ALA 2 10.300 2.031 -9.324 8 HA PRO 3 HA PRO 3 14.223 0.221 -13.886 9 1HB PRO 3 1HB PRO 3 12.807 1.799 -16.010 10 2HB PRO 3 2HB PRO 3 13.657 0.231 -16.153 11 1HG PRO 3 1HG PRO 3 10.935 0.356 -16.184 12 2HG PRO 3 2HG PRO 3 11.789 -0.966 -15.319 13 1HD PRO 3 1HD PRO 3 10.624 1.582 -14.169 14 2HD PRO 3 2HD PRO 3 10.461 -0.109 -13.580 15 H VAL 4 H VAL 4 15.930 1.649 -13.828 16 HA VAL 4 HA VAL 4 16.017 3.689 -12.191 17 HB VAL 4 HB VAL 4 17.944 2.569 -13.143 18 1HG1 VAL 4 1HG1 VAL 4 17.423 2.793 -15.579 19 2HG1 VAL 4 2HG1 VAL 4 17.831 4.526 -15.478 20 3HG1 VAL 4 3HG1 VAL 4 19.064 3.298 -15.155 21 1HG2 VAL 4 1HG2 VAL 4 18.237 4.605 -11.765 22 2HG2 VAL 4 2HG2 VAL 4 19.534 4.390 -12.952 23 3HG2 VAL 4 3HG2 VAL 4 18.264 5.595 -13.240 24 H LYS 5 H LYS 5 15.372 4.452 -15.629 25 HA LYS 5 HA LYS 5 15.131 7.325 -14.936 26 1HB LYS 5 1HB LYS 5 15.133 7.773 -17.230 27 2HB LYS 5 2HB LYS 5 16.311 6.505 -17.008 28 1HG LYS 5 1HG LYS 5 15.291 5.202 -18.513 29 2HG LYS 5 2HG LYS 5 13.783 5.211 -17.630 30 1HD LYS 5 1HD LYS 5 14.698 7.272 -19.676 31 2HD LYS 5 2HD LYS 5 13.512 6.007 -19.966 32 1HE LYS 5 1HE LYS 5 13.121 8.185 -17.873 33 2HE LYS 5 2HE LYS 5 12.653 8.410 -19.552 34 1HZ LYS 5 1HZ LYS 5 11.595 6.082 -18.068 35 2HZ LYS 5 2HZ LYS 5 10.927 7.595 -17.886 36 3HZ LYS 5 3HZ LYS 5 10.943 6.901 -19.350 37 H SER 6 H SER 6 12.892 4.754 -14.970 38 HA SER 6 HA SER 6 10.753 6.285 -16.286 39 1HB SER 6 1HB SER 6 11.070 3.378 -15.649 40 2HB SER 6 2HB SER 6 9.569 4.069 -16.302 41 HG SER 6 HG SER 6 11.012 3.408 -17.968 42 H GLN 7 H GLN 7 11.498 6.918 -13.514 43 HA GLN 7 HA GLN 7 9.198 6.450 -11.849 44 1HB GLN 7 1HB GLN 7 11.099 8.819 -11.776 45 2HB GLN 7 2HB GLN 7 10.132 8.182 -10.449 46 1HG GLN 7 1HG GLN 7 12.525 6.786 -11.756 47 2HG GLN 7 2HG GLN 7 12.511 7.624 -10.217 48 1HE2 GLN 7 2HE2 GLN 7 12.402 6.246 -8.442 49 2HE2 GLN 7 1HE2 GLN 7 11.632 4.664 -8.548 50 H GLU 8 H GLU 8 9.673 8.606 -14.600 51 HA GLU 8 HA GLU 8 7.325 10.268 -13.921 52 1HB GLU 8 1HB GLU 8 8.040 11.717 -15.469 53 2HB GLU 8 2HB GLU 8 9.587 11.011 -15.080 54 1HG GLU 8 1HG GLU 8 7.875 10.609 -17.553 55 2HG GLU 8 2HG GLU 8 9.462 11.358 -17.445 56 H SER 9 H SER 9 8.350 7.721 -16.098 57 HA SER 9 HA SER 9 6.146 7.683 -17.875 58 1HB SER 9 1HB SER 9 8.312 5.712 -17.144 59 2HB SER 9 2HB SER 9 6.989 5.210 -18.200 60 HG SER 9 HG SER 9 8.630 7.562 -18.769 61 H ILE 10 H ILE 10 6.775 5.539 -15.022 62 HA ILE 10 HA ILE 10 4.216 4.237 -15.229 63 HB ILE 10 HB ILE 10 6.132 3.314 -14.024 64 1HG1 ILE 10 1HG1 ILE 10 3.700 2.578 -13.715 65 2HG1 ILE 10 2HG1 ILE 10 4.904 2.000 -12.595 66 1HG2 ILE 10 1HG2 ILE 10 6.935 5.302 -12.812 67 2HG2 ILE 10 2HG2 ILE 10 5.500 5.265 -11.780 68 3HG2 ILE 10 3HG2 ILE 10 6.670 3.935 -11.730 69 1HD1 ILE 10 1HD1 ILE 10 3.008 4.296 -11.942 70 2HD1 ILE 10 2HD1 ILE 10 2.767 2.602 -11.514 71 3HD1 ILE 10 3HD1 ILE 10 4.144 3.482 -10.843 72 H ASN 11 H ASN 11 5.211 7.128 -13.374 73 HA ASN 11 HA ASN 11 2.758 7.801 -12.127 74 1HB ASN 11 1HB ASN 11 5.255 9.215 -12.983 75 2HB ASN 11 2HB ASN 11 3.837 10.243 -12.946 76 1HD2 ASN 11 2HD2 ASN 11 6.395 9.255 -11.037 77 2HD2 ASN 11 1HD2 ASN 11 5.556 9.748 -9.521 78 H GLN 12 H GLN 12 3.917 9.051 -15.287 79 HA GLN 12 HA GLN 12 1.557 10.385 -16.023 80 1HB GLN 12 1HB GLN 12 3.823 10.665 -17.020 81 2HB GLN 12 2HB GLN 12 3.663 9.093 -17.814 82 1HG GLN 12 1HG GLN 12 1.625 9.985 -19.023 83 2HG GLN 12 2HG GLN 12 1.930 11.563 -18.285 84 1HE2 GLN 12 2HE2 GLN 12 4.414 12.366 -18.697 85 2HE2 GLN 12 1HE2 GLN 12 4.898 12.027 -20.365 86 H LYS 13 H LYS 13 2.621 7.078 -17.007 87 HA LYS 13 HA LYS 13 0.305 6.514 -18.571 88 1HB LYS 13 1HB LYS 13 2.585 5.424 -18.631 89 2HB LYS 13 2HB LYS 13 2.132 4.515 -17.181 90 1HG LYS 13 1HG LYS 13 0.279 3.447 -18.430 91 2HG LYS 13 2HG LYS 13 0.614 4.478 -19.835 92 1HD LYS 13 1HD LYS 13 2.879 3.482 -20.045 93 2HD LYS 13 2HD LYS 13 2.588 2.494 -18.610 94 1HE LYS 13 1HE LYS 13 2.280 1.123 -20.564 95 2HE LYS 13 2HE LYS 13 0.717 1.348 -19.776 96 1HZ LYS 13 1HZ LYS 13 1.594 2.946 -22.110 97 2HZ LYS 13 2HZ LYS 13 0.687 1.569 -22.200 98 3HZ LYS 13 3HZ LYS 13 0.064 2.872 -21.445 99 H LEU 14 H LEU 14 0.986 5.816 -15.098 100 HA LEU 14 HA LEU 14 -1.474 4.385 -14.719 101 1HB LEU 14 1HB LEU 14 0.589 4.223 -13.357 102 2HB LEU 14 2HB LEU 14 0.197 5.764 -12.593 103 HG LEU 14 HG LEU 14 -1.942 3.610 -12.670 104 1HD1 LEU 14 1HD1 LEU 14 0.468 3.513 -10.840 105 2HD1 LEU 14 2HD1 LEU 14 -0.998 2.508 -10.684 106 3HD1 LEU 14 3HD1 LEU 14 0.041 2.336 -12.108 107 1HD2 LEU 14 1HD2 LEU 14 -1.027 5.551 -10.498 108 2HD2 LEU 14 2HD2 LEU 14 -2.412 5.777 -11.588 109 3HD2 LEU 14 3HD2 LEU 14 -2.427 4.448 -10.427 110 H ALA 15 H ALA 15 -0.654 7.904 -14.207 111 HA ALA 15 HA ALA 15 -3.313 8.575 -13.306 112 1HB ALA 15 1HB ALA 15 -1.434 10.090 -12.986 113 2HB ALA 15 2HB ALA 15 -1.281 10.319 -14.746 114 3HB ALA 15 3HB ALA 15 -2.746 10.865 -13.880 115 H LEU 16 H LEU 16 -1.843 8.549 -16.589 116 HA LEU 16 HA LEU 16 -4.079 9.313 -18.105 117 1HB LEU 16 1HB LEU 16 -1.787 9.075 -18.908 118 2HB LEU 16 2HB LEU 16 -1.868 7.328 -18.779 119 HG LEU 16 HG LEU 16 -3.772 8.870 -20.584 120 1HD1 LEU 16 1HD1 LEU 16 -1.433 9.494 -21.161 121 2HD1 LEU 16 2HD1 LEU 16 -1.007 7.768 -21.254 122 3HD1 LEU 16 3HD1 LEU 16 -2.152 8.473 -22.415 123 1HD2 LEU 16 1HD2 LEU 16 -2.650 6.028 -20.650 124 2HD2 LEU 16 2HD2 LEU 16 -4.341 6.453 -20.320 125 3HD2 LEU 16 3HD2 LEU 16 -3.674 6.732 -21.917 126 H VAL 17 H VAL 17 -3.266 6.027 -16.868 127 HA VAL 17 HA VAL 17 -5.691 4.805 -17.790 128 HB VAL 17 HB VAL 17 -3.604 4.104 -15.727 129 1HG1 VAL 17 1HG1 VAL 17 -6.180 2.549 -16.169 130 2HG1 VAL 17 2HG1 VAL 17 -4.718 1.904 -15.388 131 3HG1 VAL 17 3HG1 VAL 17 -5.582 3.235 -14.629 132 1HG2 VAL 17 1HG2 VAL 17 -3.165 3.765 -18.121 133 2HG2 VAL 17 2HG2 VAL 17 -3.288 2.219 -17.272 134 3HG2 VAL 17 3HG2 VAL 17 -4.641 2.778 -18.257 135 H ILE 18 H ILE 18 -4.934 6.131 -14.534 136 HA ILE 18 HA ILE 18 -7.447 5.641 -13.321 137 HB ILE 18 HB ILE 18 -5.209 7.586 -12.786 138 1HG1 ILE 18 1HG1 ILE 18 -6.391 5.070 -11.519 139 2HG1 ILE 18 2HG1 ILE 18 -4.809 5.260 -12.249 140 1HG2 ILE 18 1HG2 ILE 18 -7.812 7.367 -11.274 141 2HG2 ILE 18 2HG2 ILE 18 -6.368 8.273 -10.700 142 3HG2 ILE 18 3HG2 ILE 18 -7.206 8.818 -12.128 143 1HD1 ILE 18 1HD1 ILE 18 -4.201 6.824 -10.377 144 2HD1 ILE 18 2HD1 ILE 18 -5.747 6.432 -9.596 145 3HD1 ILE 18 3HD1 ILE 18 -4.560 5.156 -9.851 146 H LYS 19 H LYS 19 -6.708 8.141 -15.604 147 HA LYS 19 HA LYS 19 -8.886 9.880 -15.510 148 1HB LYS 19 1HB LYS 19 -6.970 9.794 -17.142 149 2HB LYS 19 2HB LYS 19 -7.774 8.399 -17.878 150 1HG LYS 19 1HG LYS 19 -9.642 9.803 -18.636 151 2HG LYS 19 2HG LYS 19 -8.965 11.179 -17.758 152 1HD LYS 19 1HD LYS 19 -8.357 11.593 -19.956 153 2HD LYS 19 2HD LYS 19 -6.884 10.950 -19.251 154 1HE LYS 19 1HE LYS 19 -8.849 9.539 -21.117 155 2HE LYS 19 2HE LYS 19 -7.217 10.093 -21.506 156 1HZ LYS 19 1HZ LYS 19 -6.491 8.378 -19.703 157 2HZ LYS 19 2HZ LYS 19 -7.993 7.790 -19.801 158 3HZ LYS 19 3HZ LYS 19 -7.103 7.698 -21.076 159 H SER 20 H SER 20 -9.020 6.447 -16.533 160 HA SER 20 HA SER 20 -11.921 6.589 -16.060 161 1HB SER 20 1HB SER 20 -12.691 5.758 -18.135 162 2HB SER 20 2HB SER 20 -11.707 7.187 -18.469 163 HG SER 20 HG SER 20 -9.969 5.804 -19.143 164 H GLY 21 H GLY 21 -9.078 4.658 -16.043 165 1HA GLY 21 1HA GLY 21 -10.401 2.066 -15.932 166 2HA GLY 21 2HA GLY 21 -8.705 2.428 -15.586 167 H LYS 22 H LYS 22 -10.138 0.615 -14.107 168 HA LYS 22 HA LYS 22 -11.142 1.908 -11.618 169 1HB LYS 22 1HB LYS 22 -11.219 -0.937 -12.665 170 2HB LYS 22 2HB LYS 22 -11.541 -0.567 -10.978 171 1HG LYS 22 1HG LYS 22 -13.627 -0.689 -12.086 172 2HG LYS 22 2HG LYS 22 -13.361 0.972 -11.598 173 1HD LYS 22 1HD LYS 22 -13.050 1.737 -13.799 174 2HD LYS 22 2HD LYS 22 -12.661 0.134 -14.436 175 1HE LYS 22 1HE LYS 22 -15.378 0.761 -13.243 176 2HE LYS 22 2HE LYS 22 -15.014 1.131 -14.936 177 1HZ LYS 22 1HZ LYS 22 -14.561 -1.593 -13.834 178 2HZ LYS 22 2HZ LYS 22 -16.021 -1.143 -14.477 179 3HZ LYS 22 3HZ LYS 22 -14.643 -1.143 -15.383 180 H TYR 23 H TYR 23 -9.774 2.491 -10.130 181 HA TYR 23 HA TYR 23 -7.478 0.757 -9.408 182 1HB TYR 23 1HB TYR 23 -6.244 2.801 -8.992 183 2HB TYR 23 2HB TYR 23 -6.927 2.892 -10.612 184 HD1 TYR 23 HD1 TYR 23 -8.958 4.375 -11.032 185 HD2 TYR 23 HD2 TYR 23 -6.818 4.356 -7.293 186 HE1 TYR 23 HE1 TYR 23 -10.071 6.484 -10.405 187 HE2 TYR 23 HE2 TYR 23 -7.925 6.503 -6.664 188 HH TYR 23 HH TYR 23 -10.253 8.141 -8.803 189 H THR 24 H THR 24 -6.609 1.313 -7.204 190 HA THR 24 HA THR 24 -8.533 2.315 -5.184 191 HB THR 24 HB THR 24 -8.928 -0.102 -5.330 192 HG1 THR 24 HG1 THR 24 -8.813 -0.472 -3.243 193 1HG2 THR 24 1HG2 THR 24 -6.014 -0.466 -4.502 194 2HG2 THR 24 2HG2 THR 24 -7.231 -1.739 -4.586 195 3HG2 THR 24 3HG2 THR 24 -6.751 -0.925 -6.059 196 H LEU 25 H LEU 25 -7.474 3.038 -3.216 197 HA LEU 25 HA LEU 25 -4.523 3.484 -3.390 198 1HB LEU 25 1HB LEU 25 -6.631 5.619 -2.833 199 2HB LEU 25 2HB LEU 25 -4.887 5.849 -2.767 200 HG LEU 25 HG LEU 25 -6.510 5.251 -5.258 201 1HD1 LEU 25 1HD1 LEU 25 -6.814 7.553 -4.345 202 2HD1 LEU 25 2HD1 LEU 25 -5.051 7.789 -4.383 203 3HD1 LEU 25 3HD1 LEU 25 -5.951 7.563 -5.892 204 1HD2 LEU 25 1HD2 LEU 25 -4.163 4.356 -5.329 205 2HD2 LEU 25 2HD2 LEU 25 -4.456 5.639 -6.504 206 3HD2 LEU 25 3HD2 LEU 25 -3.562 5.980 -4.994 207 H GLY 26 H GLY 26 -3.456 3.290 -1.545 208 1HA GLY 26 1HA GLY 26 -3.052 3.679 0.767 209 2HA GLY 26 2HA GLY 26 -4.784 3.821 1.074 210 H TYR 27 H TYR 27 -2.747 2.177 2.432 211 HA TYR 27 HA TYR 27 -2.464 -0.399 1.627 212 1HB TYR 27 1HB TYR 27 -1.327 0.766 3.530 213 2HB TYR 27 2HB TYR 27 -2.712 0.387 4.544 214 HD1 TYR 27 HD1 TYR 27 0.265 -0.998 2.728 215 HD2 TYR 27 HD2 TYR 27 -3.131 -1.966 5.265 216 HE1 TYR 27 HE1 TYR 27 1.173 -3.213 3.128 217 HE2 TYR 27 HE2 TYR 27 -2.124 -4.212 5.691 218 HH TYR 27 HH TYR 27 -0.338 -5.783 5.100 219 H LYS 28 H LYS 28 -5.035 0.463 4.009 220 HA LYS 28 HA LYS 28 -6.258 -2.102 4.070 221 1HB LYS 28 1HB LYS 28 -6.639 -0.252 5.699 222 2HB LYS 28 2HB LYS 28 -7.587 0.614 4.479 223 1HG LYS 28 1HG LYS 28 -9.231 -1.239 4.426 224 2HG LYS 28 2HG LYS 28 -8.240 -2.166 5.570 225 1HD LYS 28 1HD LYS 28 -8.556 -0.387 7.276 226 2HD LYS 28 2HD LYS 28 -9.551 0.535 6.126 227 1HE LYS 28 1HE LYS 28 -11.157 -1.353 6.004 228 2HE LYS 28 2HE LYS 28 -10.162 -2.280 7.137 229 1HZ LYS 28 1HZ LYS 28 -11.487 0.299 7.748 230 2HZ LYS 28 2HZ LYS 28 -11.991 -1.177 8.267 231 3HZ LYS 28 3HZ LYS 28 -10.563 -0.564 8.798 232 H SER 29 H SER 29 -6.898 0.644 1.873 233 HA SER 29 HA SER 29 -9.139 -0.333 0.507 234 1HB SER 29 1HB SER 29 -6.936 1.232 -0.836 235 2HB SER 29 2HB SER 29 -8.686 1.366 -1.067 236 HG SER 29 HG SER 29 -7.421 3.000 0.161 237 H THR 30 H THR 30 -5.645 -0.531 -0.406 238 HA THR 30 HA THR 30 -6.109 -2.345 -2.622 239 HB THR 30 HB THR 30 -4.141 -1.085 -2.710 240 HG1 THR 30 HG1 THR 30 -3.462 -2.771 -3.741 241 1HG2 THR 30 1HG2 THR 30 -3.104 -2.577 -0.272 242 2HG2 THR 30 2HG2 THR 30 -2.180 -1.508 -1.336 243 3HG2 THR 30 3HG2 THR 30 -3.503 -0.842 -0.376 244 H VAL 31 H VAL 31 -4.960 -3.142 0.760 245 HA VAL 31 HA VAL 31 -4.979 -5.909 0.483 246 HB VAL 31 HB VAL 31 -5.784 -4.230 2.884 247 1HG1 VAL 31 1HG1 VAL 31 -5.404 -7.236 2.650 248 2HG1 VAL 31 2HG1 VAL 31 -5.274 -6.363 4.195 249 3HG1 VAL 31 3HG1 VAL 31 -6.806 -6.367 3.316 250 1HG2 VAL 31 1HG2 VAL 31 -3.261 -5.745 2.078 251 2HG2 VAL 31 2HG2 VAL 31 -3.435 -3.999 2.183 252 3HG2 VAL 31 3HG2 VAL 31 -3.509 -4.969 3.655 253 H LYS 32 H LYS 32 -7.918 -4.037 1.405 254 HA LYS 32 HA LYS 32 -9.839 -6.126 1.307 255 1HB LYS 32 1HB LYS 32 -10.300 -3.833 2.092 256 2HB LYS 32 2HB LYS 32 -9.942 -3.203 0.499 257 1HG LYS 32 1HG LYS 32 -11.982 -4.794 -0.247 258 2HG LYS 32 2HG LYS 32 -12.380 -4.707 1.454 259 1HD LYS 32 1HD LYS 32 -13.614 -2.998 0.221 260 2HD LYS 32 2HD LYS 32 -12.451 -2.227 1.303 261 1HE LYS 32 1HE LYS 32 -12.379 -1.024 -0.773 262 2HE LYS 32 2HE LYS 32 -10.891 -1.940 -0.647 263 1HZ LYS 32 1HZ LYS 32 -12.301 -3.700 -2.015 264 2HZ LYS 32 2HZ LYS 32 -13.108 -2.375 -2.492 265 3HZ LYS 32 3HZ LYS 32 -11.470 -2.484 -2.753 266 H SER 33 H SER 33 -8.790 -4.023 -1.353 267 HA SER 33 HA SER 33 -10.530 -5.158 -3.359 268 1HB SER 33 1HB SER 33 -7.982 -3.591 -3.811 269 2HB SER 33 2HB SER 33 -9.374 -3.720 -4.896 270 HG SER 33 HG SER 33 -9.117 -2.352 -2.413 271 H LEU 34 H LEU 34 -7.156 -5.858 -2.451 272 HA LEU 34 HA LEU 34 -6.702 -7.728 -4.654 273 1HB LEU 34 1HB LEU 34 -5.231 -7.555 -2.001 274 2HB LEU 34 2HB LEU 34 -4.691 -8.317 -3.514 275 HG LEU 34 HG LEU 34 -4.970 -5.353 -3.010 276 1HD1 LEU 34 1HD1 LEU 34 -3.071 -6.365 -1.887 277 2HD1 LEU 34 2HD1 LEU 34 -2.521 -7.067 -3.440 278 3HD1 LEU 34 3HD1 LEU 34 -2.573 -5.304 -3.198 279 1HD2 LEU 34 1HD2 LEU 34 -5.560 -5.801 -5.298 280 2HD2 LEU 34 2HD2 LEU 34 -4.027 -4.972 -5.152 281 3HD2 LEU 34 3HD2 LEU 34 -4.037 -6.738 -5.494 282 H ARG 35 H ARG 35 -7.671 -8.063 -1.190 283 HA ARG 35 HA ARG 35 -7.959 -10.941 -1.276 284 1HB ARG 35 1HB ARG 35 -9.184 -8.809 0.516 285 2HB ARG 35 2HB ARG 35 -9.447 -10.545 0.743 286 1HG ARG 35 1HG ARG 35 -7.072 -10.955 1.078 287 2HG ARG 35 2HG ARG 35 -6.663 -9.303 0.637 288 1HD ARG 35 1HD ARG 35 -6.515 -9.292 2.957 289 2HD ARG 35 2HD ARG 35 -8.060 -8.525 2.631 290 HE ARG 35 HE ARG 35 -9.148 -10.693 3.163 291 1HH1 ARG 35 1HH1 ARG 35 -5.834 -10.330 4.512 292 2HH1 ARG 35 2HH1 ARG 35 -6.184 -11.488 5.742 293 1HH2 ARG 35 1HH2 ARG 35 -9.420 -12.175 4.781 294 2HH2 ARG 35 2HH2 ARG 35 -8.123 -12.506 5.885 295 H GLN 36 H GLN 36 -10.069 -8.371 -2.392 296 HA GLN 36 HA GLN 36 -12.271 -10.133 -3.121 297 1HB GLN 36 1HB GLN 36 -11.469 -7.341 -4.014 298 2HB GLN 36 2HB GLN 36 -12.890 -8.177 -4.642 299 1HG GLN 36 1HG GLN 36 -13.854 -8.349 -2.407 300 2HG GLN 36 2HG GLN 36 -12.433 -7.603 -1.682 301 1HE2 GLN 36 2HE2 GLN 36 -15.368 -7.001 -3.590 302 2HE2 GLN 36 1HE2 GLN 36 -15.223 -5.246 -3.487 303 H GLY 37 H GLY 37 -9.140 -10.216 -4.309 304 1HA GLY 37 1HA GLY 37 -8.266 -11.626 -5.813 305 2HA GLY 37 2HA GLY 37 -9.885 -12.146 -6.253 306 H LYS 38 H LYS 38 -10.833 -9.630 -7.292 307 HA LYS 38 HA LYS 38 -9.882 -10.069 -9.938 308 1HB LYS 38 1HB LYS 38 -12.257 -9.226 -8.928 309 2HB LYS 38 2HB LYS 38 -11.612 -7.675 -9.454 310 1HG LYS 38 1HG LYS 38 -11.041 -9.315 -11.649 311 2HG LYS 38 2HG LYS 38 -12.464 -10.094 -11.004 312 1HD LYS 38 1HD LYS 38 -13.665 -8.665 -12.230 313 2HD LYS 38 2HD LYS 38 -13.236 -7.382 -11.100 314 1HE LYS 38 1HE LYS 38 -11.594 -8.198 -13.552 315 2HE LYS 38 2HE LYS 38 -12.780 -6.883 -13.552 316 1HZ LYS 38 1HZ LYS 38 -10.472 -6.902 -11.689 317 2HZ LYS 38 2HZ LYS 38 -10.397 -6.173 -13.147 318 3HZ LYS 38 3HZ LYS 38 -11.488 -5.626 -12.091 319 H SER 39 H SER 39 -7.907 -8.506 -8.052 320 HA SER 39 HA SER 39 -7.323 -6.050 -9.516 321 1HB SER 39 1HB SER 39 -5.208 -6.128 -8.215 322 2HB SER 39 2HB SER 39 -6.657 -6.288 -7.209 323 HG SER 39 HG SER 39 -4.905 -8.397 -8.048 324 H LYS 40 H LYS 40 -5.231 -5.746 -10.705 325 HA LYS 40 HA LYS 40 -4.015 -8.280 -11.709 326 1HB LYS 40 1HB LYS 40 -5.735 -7.272 -13.300 327 2HB LYS 40 2HB LYS 40 -4.670 -5.897 -13.471 328 1HG LYS 40 1HG LYS 40 -4.387 -7.438 -15.342 329 2HG LYS 40 2HG LYS 40 -2.898 -7.303 -14.422 330 1HD LYS 40 1HD LYS 40 -3.314 -9.577 -15.171 331 2HD LYS 40 2HD LYS 40 -3.253 -9.517 -13.422 332 1HE LYS 40 1HE LYS 40 -5.963 -9.251 -14.732 333 2HE LYS 40 2HE LYS 40 -5.152 -10.812 -14.877 334 1HZ LYS 40 1HZ LYS 40 -4.915 -10.844 -12.448 335 2HZ LYS 40 2HZ LYS 40 -5.812 -9.490 -12.287 336 3HZ LYS 40 3HZ LYS 40 -6.494 -10.841 -12.917 337 H LEU 41 H LEU 41 -3.463 -4.855 -10.940 338 HA LEU 41 HA LEU 41 -0.540 -5.462 -10.850 339 1HB LEU 41 1HB LEU 41 -0.811 -4.610 -12.998 340 2HB LEU 41 2HB LEU 41 -2.007 -3.431 -12.525 341 HG LEU 41 HG LEU 41 0.103 -2.512 -13.314 342 1HD1 LEU 41 1HD1 LEU 41 -1.495 -1.349 -11.737 343 2HD1 LEU 41 2HD1 LEU 41 -0.294 -1.612 -10.459 344 3HD1 LEU 41 3HD1 LEU 41 0.119 -0.676 -11.914 345 1HD2 LEU 41 1HD2 LEU 41 1.754 -4.051 -12.384 346 2HD2 LEU 41 2HD2 LEU 41 2.095 -2.371 -11.932 347 3HD2 LEU 41 3HD2 LEU 41 1.392 -3.481 -10.738 348 H ILE 42 H ILE 42 0.298 -4.851 -8.883 349 HA ILE 42 HA ILE 42 -1.036 -2.615 -7.442 350 HB ILE 42 HB ILE 42 -0.457 -3.436 -5.387 351 1HG1 ILE 42 1HG1 ILE 42 1.059 -5.856 -6.424 352 2HG1 ILE 42 2HG1 ILE 42 1.898 -4.349 -5.953 353 1HG2 ILE 42 1HG2 ILE 42 -2.329 -4.643 -6.631 354 2HG2 ILE 42 2HG2 ILE 42 -1.176 -5.948 -6.907 355 3HG2 ILE 42 3HG2 ILE 42 -1.645 -5.549 -5.264 356 1HD1 ILE 42 1HD1 ILE 42 0.942 -4.461 -3.721 357 2HD1 ILE 42 2HD1 ILE 42 0.168 -6.013 -4.115 358 3HD1 ILE 42 3HD1 ILE 42 1.930 -5.885 -4.114 359 H ILE 43 H ILE 43 0.162 -0.962 -6.622 360 HA ILE 43 HA ILE 43 3.040 -0.880 -7.385 361 HB ILE 43 HB ILE 43 1.332 1.581 -7.035 362 1HG1 ILE 43 1HG1 ILE 43 0.379 0.530 -9.020 363 2HG1 ILE 43 2HG1 ILE 43 1.288 1.982 -9.395 364 1HG2 ILE 43 1HG2 ILE 43 4.175 0.995 -7.810 365 2HG2 ILE 43 2HG2 ILE 43 3.393 2.420 -8.478 366 3HG2 ILE 43 3HG2 ILE 43 3.494 2.219 -6.712 367 1HD1 ILE 43 1HD1 ILE 43 3.243 0.485 -10.079 368 2HD1 ILE 43 2HD1 ILE 43 2.102 -0.878 -9.931 369 3HD1 ILE 43 3HD1 ILE 43 1.817 0.422 -11.104 370 H ILE 44 H ILE 44 4.407 -0.454 -5.779 371 HA ILE 44 HA ILE 44 3.322 0.637 -3.199 372 HB ILE 44 HB ILE 44 5.541 -1.412 -3.430 373 1HG1 ILE 44 1HG1 ILE 44 2.964 -2.064 -2.000 374 2HG1 ILE 44 2HG1 ILE 44 2.910 -2.130 -3.744 375 1HG2 ILE 44 1HG2 ILE 44 4.147 -0.159 -1.011 376 2HG2 ILE 44 2HG2 ILE 44 5.326 -1.483 -0.953 377 3HG2 ILE 44 3HG2 ILE 44 5.831 0.105 -1.521 378 1HD1 ILE 44 1HD1 ILE 44 4.835 -3.682 -3.770 379 2HD1 ILE 44 2HD1 ILE 44 4.776 -3.723 -1.984 380 3HD1 ILE 44 3HD1 ILE 44 3.399 -4.304 -2.950 381 H ALA 45 H ALA 45 3.739 2.747 -3.734 382 HA ALA 45 HA ALA 45 6.597 3.569 -3.723 383 1HB ALA 45 1HB ALA 45 5.317 4.278 -5.771 384 2HB ALA 45 2HB ALA 45 4.217 5.167 -4.723 385 3HB ALA 45 3HB ALA 45 5.925 5.628 -4.797 386 H ALA 46 H ALA 46 5.976 2.771 -1.427 387 HA ALA 46 HA ALA 46 5.586 5.130 0.300 388 1HB ALA 46 1HB ALA 46 3.931 2.549 0.409 389 2HB ALA 46 2HB ALA 46 3.961 3.788 1.683 390 3HB ALA 46 3HB ALA 46 3.315 4.182 0.072 391 H ASN 47 H ASN 47 6.740 4.881 2.237 392 HA ASN 47 HA ASN 47 8.909 3.141 2.478 393 1HB ASN 47 1HB ASN 47 7.473 4.761 4.623 394 2HB ASN 47 2HB ASN 47 9.117 4.133 4.729 395 1HD2 ASN 47 2HD2 ASN 47 10.713 5.721 4.247 396 2HD2 ASN 47 1HD2 ASN 47 10.354 7.013 3.079 397 H THR 48 H THR 48 7.859 1.145 2.006 398 HA THR 48 HA THR 48 6.159 -0.132 4.023 399 HB THR 48 HB THR 48 6.853 -1.015 1.207 400 HG1 THR 48 HG1 THR 48 5.900 0.971 1.121 401 1HG2 THR 48 1HG2 THR 48 5.837 -2.751 2.649 402 2HG2 THR 48 2HG2 THR 48 4.460 -1.663 2.966 403 3HG2 THR 48 3HG2 THR 48 4.776 -2.253 1.316 404 HA PRO 49 HA PRO 49 9.968 -2.440 5.085 405 1HB PRO 49 1HB PRO 49 9.201 -3.464 7.504 406 2HB PRO 49 2HB PRO 49 9.675 -1.753 7.276 407 1HG PRO 49 1HG PRO 49 6.880 -2.920 7.316 408 2HG PRO 49 2HG PRO 49 7.495 -1.502 8.222 409 1HD PRO 49 1HD PRO 49 6.145 -1.237 5.869 410 2HD PRO 49 2HD PRO 49 7.500 -0.149 6.291 411 H VAL 50 H VAL 50 10.431 -4.725 5.606 412 HA VAL 50 HA VAL 50 9.638 -6.315 3.557 413 HB VAL 50 HB VAL 50 10.712 -7.319 6.219 414 1HG1 VAL 50 1HG1 VAL 50 10.787 -8.572 3.432 415 2HG1 VAL 50 2HG1 VAL 50 11.687 -9.162 4.845 416 3HG1 VAL 50 3HG1 VAL 50 9.927 -9.212 4.850 417 1HG2 VAL 50 1HG2 VAL 50 12.150 -6.380 3.691 418 2HG2 VAL 50 2HG2 VAL 50 12.179 -5.574 5.276 419 3HG2 VAL 50 3HG2 VAL 50 12.928 -7.155 5.085 420 H LEU 51 H LEU 51 8.282 -6.784 6.887 421 HA LEU 51 HA LEU 51 6.567 -8.943 6.080 422 1HB LEU 51 1HB LEU 51 6.243 -6.973 8.379 423 2HB LEU 51 2HB LEU 51 5.371 -8.494 8.203 424 HG LEU 51 HG LEU 51 8.391 -8.226 8.570 425 1HD1 LEU 51 1HD1 LEU 51 7.093 -7.624 10.582 426 2HD1 LEU 51 2HD1 LEU 51 6.218 -9.170 10.487 427 3HD1 LEU 51 3HD1 LEU 51 7.966 -9.148 10.806 428 1HD2 LEU 51 1HD2 LEU 51 6.611 -10.706 8.469 429 2HD2 LEU 51 2HD2 LEU 51 7.882 -10.271 7.303 430 3HD2 LEU 51 3HD2 LEU 51 8.317 -10.688 8.961 431 H ARG 52 H ARG 52 6.094 -5.466 6.022 432 HA ARG 52 HA ARG 52 3.216 -5.504 5.502 433 1HB ARG 52 1HB ARG 52 4.833 -3.667 6.583 434 2HB ARG 52 2HB ARG 52 5.080 -3.201 4.905 435 1HG ARG 52 1HG ARG 52 3.420 -1.781 5.610 436 2HG ARG 52 2HG ARG 52 2.515 -3.031 4.776 437 1HD ARG 52 1HD ARG 52 2.947 -2.886 7.795 438 2HD ARG 52 2HD ARG 52 1.537 -2.225 6.968 439 HE ARG 52 HE ARG 52 1.114 -4.600 6.144 440 1HH1 ARG 52 1HH1 ARG 52 2.559 -4.085 9.289 441 2HH1 ARG 52 2HH1 ARG 52 1.876 -5.548 9.952 442 1HH2 ARG 52 1HH2 ARG 52 0.153 -6.427 7.062 443 2HH2 ARG 52 2HH2 ARG 52 0.588 -6.848 8.689 444 H LYS 53 H LYS 53 6.143 -5.007 3.483 445 HA LYS 53 HA LYS 53 4.638 -4.935 1.012 446 1HB LYS 53 1HB LYS 53 6.557 -4.953 -0.173 447 2HB LYS 53 2HB LYS 53 7.152 -4.279 1.331 448 1HG LYS 53 1HG LYS 53 8.123 -6.492 1.912 449 2HG LYS 53 2HG LYS 53 7.445 -7.176 0.427 450 1HD LYS 53 1HD LYS 53 8.859 -5.334 -0.788 451 2HD LYS 53 2HD LYS 53 9.715 -5.224 0.745 452 1HE LYS 53 1HE LYS 53 10.926 -6.757 -0.613 453 2HE LYS 53 2HE LYS 53 10.112 -7.740 0.611 454 1HZ LYS 53 1HZ LYS 53 8.923 -7.334 -2.079 455 2HZ LYS 53 2HZ LYS 53 9.984 -8.553 -1.788 456 3HZ LYS 53 3HZ LYS 53 8.549 -8.520 -1.053 457 H SER 54 H SER 54 6.166 -7.604 2.803 458 HA SER 54 HA SER 54 5.612 -9.711 1.046 459 1HB SER 54 1HB SER 54 5.580 -9.882 4.078 460 2HB SER 54 2HB SER 54 5.728 -11.232 2.942 461 HG SER 54 HG SER 54 7.531 -9.077 3.373 462 H GLU 55 H GLU 55 3.408 -8.354 3.590 463 HA GLU 55 HA GLU 55 1.281 -10.178 3.033 464 1HB GLU 55 1HB GLU 55 1.612 -8.390 4.971 465 2HB GLU 55 2HB GLU 55 0.815 -7.309 3.824 466 1HG GLU 55 1HG GLU 55 -0.965 -9.270 3.692 467 2HG GLU 55 2HG GLU 55 -0.244 -9.789 5.205 468 H LEU 56 H LEU 56 1.913 -6.885 1.606 469 HA LEU 56 HA LEU 56 -0.368 -6.943 -0.191 470 1HB LEU 56 1HB LEU 56 2.279 -5.472 -0.514 471 2HB LEU 56 2HB LEU 56 0.857 -5.285 -1.516 472 HG LEU 56 HG LEU 56 1.350 -4.338 1.267 473 1HD1 LEU 56 1HD1 LEU 56 1.367 -2.851 -0.699 474 2HD1 LEU 56 2HD1 LEU 56 -0.300 -3.352 -1.083 475 3HD1 LEU 56 3HD1 LEU 56 0.038 -2.426 0.401 476 1HD2 LEU 56 1HD2 LEU 56 -1.431 -5.090 0.276 477 2HD2 LEU 56 2HD2 LEU 56 -0.604 -5.693 1.739 478 3HD2 LEU 56 3HD2 LEU 56 -1.116 -3.998 1.638 479 H GLU 57 H GLU 57 2.848 -7.940 -0.578 480 HA GLU 57 HA GLU 57 2.842 -8.977 -3.261 481 1HB GLU 57 1HB GLU 57 4.736 -8.298 -1.840 482 2HB GLU 57 2HB GLU 57 4.537 -9.749 -0.864 483 1HG GLU 57 1HG GLU 57 5.413 -11.127 -2.578 484 2HG GLU 57 2HG GLU 57 5.136 -9.891 -3.824 485 H TYR 58 H TYR 58 2.142 -10.620 -0.126 486 HA TYR 58 HA TYR 58 1.482 -13.172 -1.165 487 1HB TYR 58 1HB TYR 58 1.814 -12.402 1.275 488 2HB TYR 58 2HB TYR 58 0.143 -11.872 1.236 489 HD1 TYR 58 HD1 TYR 58 2.474 -14.688 1.108 490 HD2 TYR 58 HD2 TYR 58 -1.657 -13.532 1.389 491 HE1 TYR 58 HE1 TYR 58 1.882 -17.024 1.767 492 HE2 TYR 58 HE2 TYR 58 -2.250 -15.856 2.119 493 HH TYR 58 HH TYR 58 0.179 -18.435 2.409 494 H TYR 59 H TYR 59 -0.693 -10.312 -0.577 495 HA TYR 59 HA TYR 59 -2.977 -11.664 -1.727 496 1HB TYR 59 1HB TYR 59 -2.537 -8.671 -1.608 497 2HB TYR 59 2HB TYR 59 -4.050 -9.537 -1.846 498 HD1 TYR 59 HD1 TYR 59 -4.391 -11.498 0.108 499 HD2 TYR 59 HD2 TYR 59 -2.377 -7.708 0.499 500 HE1 TYR 59 HE1 TYR 59 -4.778 -11.548 2.563 501 HE2 TYR 59 HE2 TYR 59 -2.807 -7.739 2.943 502 HH TYR 59 HH TYR 59 -3.461 -9.003 4.752 503 H ALA 60 H ALA 60 -0.515 -9.514 -3.258 504 HA ALA 60 HA ALA 60 -1.492 -9.680 -5.905 505 1HB ALA 60 1HB ALA 60 0.159 -8.089 -5.135 506 2HB ALA 60 2HB ALA 60 1.332 -9.404 -4.888 507 3HB ALA 60 3HB ALA 60 0.758 -9.020 -6.523 508 H MET 61 H MET 61 0.113 -12.166 -4.006 509 HA MET 61 HA MET 61 0.636 -13.919 -6.321 510 1HB MET 61 1HB MET 61 2.194 -13.853 -4.427 511 2HB MET 61 2HB MET 61 0.907 -14.309 -3.319 512 1HG MET 61 1HG MET 61 0.669 -16.482 -4.593 513 2HG MET 61 2HG MET 61 2.082 -16.003 -5.538 514 1HE MET 61 1HE MET 61 0.624 -17.241 -2.159 515 2HE MET 61 2HE MET 61 2.012 -17.186 -1.051 516 3HE MET 61 3HE MET 61 1.254 -15.678 -1.592 517 H LEU 62 H LEU 62 -1.616 -13.851 -3.528 518 HA LEU 62 HA LEU 62 -3.185 -16.156 -4.198 519 1HB LEU 62 1HB LEU 62 -3.851 -13.581 -2.716 520 2HB LEU 62 2HB LEU 62 -4.994 -14.907 -2.881 521 HG LEU 62 HG LEU 62 -2.280 -15.177 -1.510 522 1HD1 LEU 62 1HD1 LEU 62 -5.099 -14.719 -0.431 523 2HD1 LEU 62 2HD1 LEU 62 -3.718 -15.201 0.562 524 3HD1 LEU 62 3HD1 LEU 62 -3.686 -13.644 -0.274 525 1HD2 LEU 62 1HD2 LEU 62 -4.711 -17.023 -1.585 526 2HD2 LEU 62 2HD2 LEU 62 -3.126 -17.342 -2.333 527 3HD2 LEU 62 3HD2 LEU 62 -3.265 -17.249 -0.578 528 H SER 63 H SER 63 -3.963 -12.710 -4.792 529 HA SER 63 HA SER 63 -5.864 -13.284 -6.957 530 1HB SER 63 1HB SER 63 -5.761 -10.908 -7.412 531 2HB SER 63 2HB SER 63 -5.907 -11.125 -5.660 532 HG SER 63 HG SER 63 -3.652 -10.779 -5.489 533 H LYS 64 H LYS 64 -5.304 -13.310 -9.221 534 HA LYS 64 HA LYS 64 -2.419 -13.815 -9.725 535 1HB LYS 64 1HB LYS 64 -4.831 -14.174 -11.528 536 2HB LYS 64 2HB LYS 64 -3.162 -14.563 -11.972 537 1HG LYS 64 1HG LYS 64 -4.631 -15.779 -9.577 538 2HG LYS 64 2HG LYS 64 -4.527 -16.537 -11.154 539 1HD LYS 64 1HD LYS 64 -2.239 -16.978 -10.986 540 2HD LYS 64 2HD LYS 64 -1.944 -15.812 -9.707 541 1HE LYS 64 1HE LYS 64 -3.709 -18.239 -9.275 542 2HE LYS 64 2HE LYS 64 -1.952 -18.289 -9.082 543 1HZ LYS 64 1HZ LYS 64 -2.139 -16.524 -7.375 544 2HZ LYS 64 2HZ LYS 64 -3.756 -16.505 -7.501 545 3HZ LYS 64 3HZ LYS 64 -3.002 -17.849 -6.970 546 H THR 65 H THR 65 -1.653 -11.943 -9.209 547 HA THR 65 HA THR 65 -2.154 -9.538 -10.904 548 HB THR 65 HB THR 65 -1.798 -10.052 -7.944 549 HG1 THR 65 HG1 THR 65 -3.759 -9.886 -7.789 550 1HG2 THR 65 1HG2 THR 65 -2.012 -7.308 -9.181 551 2HG2 THR 65 2HG2 THR 65 -2.252 -7.715 -7.474 552 3HG2 THR 65 3HG2 THR 65 -0.662 -7.958 -8.211 553 H LYS 66 H LYS 66 -0.357 -7.989 -10.957 554 HA LYS 66 HA LYS 66 2.376 -9.116 -10.473 555 1HB LYS 66 1HB LYS 66 1.962 -8.581 -12.788 556 2HB LYS 66 2HB LYS 66 1.283 -7.016 -12.375 557 1HG LYS 66 1HG LYS 66 3.466 -6.757 -13.365 558 2HG LYS 66 2HG LYS 66 3.433 -6.132 -11.734 559 1HD LYS 66 1HD LYS 66 5.545 -7.229 -12.197 560 2HD LYS 66 2HD LYS 66 4.709 -8.052 -10.903 561 1HE LYS 66 1HE LYS 66 5.773 -9.661 -12.295 562 2HE LYS 66 2HE LYS 66 4.021 -9.860 -12.460 563 1HZ LYS 66 1HZ LYS 66 5.470 -8.143 -14.393 564 2HZ LYS 66 2HZ LYS 66 5.520 -9.772 -14.601 565 3HZ LYS 66 3HZ LYS 66 4.115 -8.935 -14.616 566 H VAL 67 H VAL 67 3.783 -8.086 -9.164 567 HA VAL 67 HA VAL 67 2.946 -5.673 -7.638 568 HB VAL 67 HB VAL 67 5.323 -7.539 -7.181 569 1HG1 VAL 67 1HG1 VAL 67 4.077 -5.350 -5.448 570 2HG1 VAL 67 2HG1 VAL 67 5.343 -6.472 -4.920 571 3HG1 VAL 67 3HG1 VAL 67 5.686 -5.309 -6.203 572 1HG2 VAL 67 1HG2 VAL 67 2.639 -7.449 -5.758 573 2HG2 VAL 67 2HG2 VAL 67 3.231 -8.780 -6.771 574 3HG2 VAL 67 3HG2 VAL 67 4.043 -8.409 -5.251 575 H TYR 68 H TYR 68 3.764 -3.734 -8.176 576 HA TYR 68 HA TYR 68 6.443 -3.611 -9.511 577 1HB TYR 68 1HB TYR 68 4.541 -2.946 -10.955 578 2HB TYR 68 2HB TYR 68 4.126 -1.711 -9.776 579 HD1 TYR 68 HD1 TYR 68 5.586 0.308 -9.466 580 HD2 TYR 68 HD2 TYR 68 6.455 -2.719 -12.425 581 HE1 TYR 68 HE1 TYR 68 7.088 1.892 -10.661 582 HE2 TYR 68 HE2 TYR 68 7.960 -1.133 -13.597 583 HH TYR 68 HH TYR 68 8.289 1.279 -13.823 584 H TYR 69 H TYR 69 7.882 -3.135 -7.988 585 HA TYR 69 HA TYR 69 7.284 -1.339 -5.759 586 1HB TYR 69 1HB TYR 69 9.820 -2.724 -6.705 587 2HB TYR 69 2HB TYR 69 9.787 -1.586 -5.358 588 HD1 TYR 69 HD1 TYR 69 8.176 -1.969 -3.413 589 HD2 TYR 69 HD2 TYR 69 9.144 -5.021 -6.327 590 HE1 TYR 69 HE1 TYR 69 7.197 -3.698 -1.951 591 HE2 TYR 69 HE2 TYR 69 8.144 -6.744 -4.853 592 HH TYR 69 HH TYR 69 7.059 -7.220 -2.888 593 H PHE 70 H PHE 70 7.238 0.736 -5.857 594 HA PHE 70 HA PHE 70 9.149 2.262 -7.532 595 1HB PHE 70 1HB PHE 70 6.871 2.191 -8.478 596 2HB PHE 70 2HB PHE 70 6.221 2.799 -6.990 597 HD1 PHE 70 HD1 PHE 70 9.315 4.583 -7.675 598 HD2 PHE 70 HD2 PHE 70 5.176 4.260 -8.809 599 HE1 PHE 70 HE1 PHE 70 9.383 6.887 -8.518 600 HE2 PHE 70 HE2 PHE 70 5.269 6.629 -9.692 601 HZ PHE 70 HZ PHE 70 7.361 7.908 -9.526 602 H GLN 71 H GLN 71 9.466 1.225 -4.929 603 HA GLN 71 HA GLN 71 8.686 3.076 -2.918 604 1HB GLN 71 1HB GLN 71 8.884 0.622 -2.734 605 2HB GLN 71 2HB GLN 71 10.643 0.761 -2.770 606 1HG GLN 71 1HG GLN 71 10.707 1.846 -0.650 607 2HG GLN 71 2HG GLN 71 9.005 2.285 -0.722 608 1HE2 GLN 71 2HE2 GLN 71 10.628 0.669 1.372 609 2HE2 GLN 71 1HE2 GLN 71 9.569 -0.744 1.548 610 H GLY 72 H GLY 72 9.658 4.904 -4.206 611 1HA GLY 72 1HA GLY 72 12.409 5.662 -4.032 612 2HA GLY 72 2HA GLY 72 11.029 6.762 -4.169 613 H GLY 73 H GLY 73 10.365 5.120 -1.450 614 1HA GLY 73 1HA GLY 73 10.614 5.465 0.826 615 2HA GLY 73 2HA GLY 73 12.166 6.240 0.489 616 H ASN 74 H ASN 74 9.668 7.813 -1.242 617 HA ASN 74 HA ASN 74 9.145 9.779 0.936 618 1HB ASN 74 1HB ASN 74 10.499 10.187 -1.718 619 2HB ASN 74 2HB ASN 74 9.371 11.427 -1.176 620 1HD2 ASN 74 2HD2 ASN 74 11.394 9.668 1.250 621 2HD2 ASN 74 1HD2 ASN 74 12.371 11.132 1.496 622 H ASN 75 H ASN 75 8.092 9.927 -2.479 623 HA ASN 75 HA ASN 75 5.304 9.290 -1.784 624 1HB ASN 75 1HB ASN 75 4.448 11.485 -1.602 625 2HB ASN 75 2HB ASN 75 5.833 11.483 -0.538 626 1HD2 ASN 75 2HD2 ASN 75 7.873 11.942 -3.081 627 2HD2 ASN 75 1HD2 ASN 75 7.438 13.620 -3.306 628 H GLU 76 H GLU 76 7.367 9.224 -4.109 629 HA GLU 76 HA GLU 76 6.850 11.086 -6.052 630 1HB GLU 76 1HB GLU 76 7.940 8.272 -6.308 631 2HB GLU 76 2HB GLU 76 8.024 9.480 -7.589 632 1HG GLU 76 1HG GLU 76 10.143 9.326 -6.295 633 2HG GLU 76 2HG GLU 76 9.428 10.939 -6.265 634 H LEU 77 H LEU 77 4.948 8.181 -5.662 635 HA LEU 77 HA LEU 77 3.562 8.549 -8.232 636 1HB LEU 77 1HB LEU 77 4.168 6.334 -7.216 637 2HB LEU 77 2HB LEU 77 2.996 6.662 -5.938 638 HG LEU 77 HG LEU 77 1.147 6.644 -7.593 639 1HD1 LEU 77 1HD1 LEU 77 2.453 7.340 -9.658 640 2HD1 LEU 77 2HD1 LEU 77 3.243 5.753 -9.632 641 3HD1 LEU 77 3HD1 LEU 77 1.492 5.870 -9.876 642 1HD2 LEU 77 1HD2 LEU 77 3.070 4.332 -7.615 643 2HD2 LEU 77 2HD2 LEU 77 1.809 4.627 -6.425 644 3HD2 LEU 77 3HD2 LEU 77 1.357 4.203 -8.097 645 H GLY 78 H GLY 78 3.162 9.803 -5.037 646 1HA GLY 78 1HA GLY 78 0.350 10.156 -4.766 647 2HA GLY 78 2HA GLY 78 1.605 11.243 -4.162 648 H THR 79 H THR 79 2.805 11.874 -6.615 649 HA THR 79 HA THR 79 1.643 14.021 -7.815 650 HB THR 79 HB THR 79 3.259 12.016 -9.416 651 HG1 THR 79 HG1 THR 79 4.684 11.944 -7.945 652 1HG2 THR 79 1HG2 THR 79 2.673 14.178 -10.467 653 2HG2 THR 79 2HG2 THR 79 3.457 15.036 -9.114 654 3HG2 THR 79 3HG2 THR 79 4.419 14.017 -10.200 655 H ALA 80 H ALA 80 1.513 10.658 -9.168 656 HA ALA 80 HA ALA 80 -0.358 11.292 -11.243 657 1HB ALA 80 1HB ALA 80 0.567 8.678 -9.968 658 2HB ALA 80 2HB ALA 80 -0.494 8.752 -11.380 659 3HB ALA 80 3HB ALA 80 1.136 9.422 -11.479 660 H VAL 81 H VAL 81 -0.762 9.604 -8.087 661 HA VAL 81 HA VAL 81 -3.534 9.109 -8.747 662 HB VAL 81 HB VAL 81 -3.705 7.828 -6.752 663 1HG1 VAL 81 1HG1 VAL 81 -2.621 7.001 -8.890 664 2HG1 VAL 81 2HG1 VAL 81 -1.052 7.241 -8.113 665 3HG1 VAL 81 3HG1 VAL 81 -2.232 6.096 -7.435 666 1HG2 VAL 81 1HG2 VAL 81 -0.913 8.804 -6.054 667 2HG2 VAL 81 2HG2 VAL 81 -2.369 8.845 -5.031 668 3HG2 VAL 81 3HG2 VAL 81 -1.602 7.311 -5.412 669 H GLY 82 H GLY 82 -2.428 10.729 -5.727 670 1HA GLY 82 1HA GLY 82 -5.158 12.030 -5.690 671 2HA GLY 82 2HA GLY 82 -4.387 11.341 -4.285 672 H LYS 83 H LYS 83 -1.871 12.863 -5.705 673 HA LYS 83 HA LYS 83 -0.643 14.653 -5.353 674 1HB LYS 83 1HB LYS 83 -3.194 16.293 -5.443 675 2HB LYS 83 2HB LYS 83 -1.551 16.837 -5.698 676 1HG LYS 83 1HG LYS 83 -2.215 16.710 -7.841 677 2HG LYS 83 2HG LYS 83 -1.490 15.122 -7.690 678 1HD LYS 83 1HD LYS 83 -4.400 15.203 -7.025 679 2HD LYS 83 2HD LYS 83 -4.059 15.781 -8.643 680 1HE LYS 83 1HE LYS 83 -3.126 13.087 -7.584 681 2HE LYS 83 2HE LYS 83 -4.636 13.337 -8.456 682 1HZ LYS 83 1HZ LYS 83 -3.250 14.205 -10.320 683 2HZ LYS 83 2HZ LYS 83 -1.887 13.711 -9.504 684 3HZ LYS 83 3HZ LYS 83 -2.989 12.608 -9.969 685 H LEU 84 H LEU 84 -3.219 14.520 -2.978 686 HA LEU 84 HA LEU 84 -1.897 16.359 -1.134 687 1HB LEU 84 1HB LEU 84 -4.443 14.706 -0.892 688 2HB LEU 84 2HB LEU 84 -3.915 15.922 0.270 689 HG LEU 84 HG LEU 84 -4.642 16.468 -2.646 690 1HD1 LEU 84 1HD1 LEU 84 -6.585 15.865 -1.250 691 2HD1 LEU 84 2HD1 LEU 84 -6.126 17.106 -0.061 692 3HD1 LEU 84 3HD1 LEU 84 -6.622 17.575 -1.700 693 1HD2 LEU 84 1HD2 LEU 84 -3.924 18.383 -0.379 694 2HD2 LEU 84 2HD2 LEU 84 -2.999 18.123 -1.878 695 3HD2 LEU 84 3HD2 LEU 84 -4.597 18.863 -1.951 696 H PHE 85 H PHE 85 -2.940 12.911 -0.663 697 HA PHE 85 HA PHE 85 -1.085 12.709 1.578 698 1HB PHE 85 1HB PHE 85 -1.750 10.336 1.664 699 2HB PHE 85 2HB PHE 85 -3.013 11.519 1.872 700 HD1 PHE 85 HD1 PHE 85 -2.255 10.922 -1.716 701 HD2 PHE 85 HD2 PHE 85 -4.430 9.532 1.753 702 HE1 PHE 85 HE1 PHE 85 -3.720 9.565 -3.152 703 HE2 PHE 85 HE2 PHE 85 -5.924 8.217 0.281 704 HZ PHE 85 HZ PHE 85 -5.573 8.229 -2.166 705 H ARG 86 H ARG 86 0.619 11.257 1.780 706 HA ARG 86 HA ARG 86 2.444 11.345 -0.558 707 1HB ARG 86 1HB ARG 86 2.743 11.094 2.455 708 2HB ARG 86 2HB ARG 86 4.085 10.688 1.410 709 1HG ARG 86 1HG ARG 86 3.823 13.065 2.530 710 2HG ARG 86 2HG ARG 86 4.669 12.824 1.026 711 1HD ARG 86 1HD ARG 86 1.747 13.635 0.960 712 2HD ARG 86 2HD ARG 86 2.996 14.809 1.348 713 HE ARG 86 HE ARG 86 4.058 13.763 -0.917 714 1HH1 ARG 86 1HH1 ARG 86 0.805 15.127 -0.413 715 2HH1 ARG 86 2HH1 ARG 86 0.781 15.692 -2.063 716 1HH2 ARG 86 1HH2 ARG 86 3.927 14.510 -2.841 717 2HH2 ARG 86 2HH2 ARG 86 2.513 15.424 -3.405 718 H VAL 87 H VAL 87 0.802 8.952 1.347 719 HA VAL 87 HA VAL 87 2.637 6.761 0.931 720 HB VAL 87 HB VAL 87 -0.285 6.688 1.800 721 1HG1 VAL 87 1HG1 VAL 87 0.659 4.443 1.132 722 2HG1 VAL 87 2HG1 VAL 87 1.952 4.679 2.325 723 3HG1 VAL 87 3HG1 VAL 87 0.265 4.555 2.847 724 1HG2 VAL 87 1HG2 VAL 87 2.263 6.894 3.465 725 2HG2 VAL 87 2HG2 VAL 87 0.983 8.118 3.338 726 3HG2 VAL 87 3HG2 VAL 87 0.641 6.572 4.110 727 H GLY 88 H GLY 88 3.034 6.634 -1.350 728 1HA GLY 88 1HA GLY 88 0.882 6.447 -3.266 729 2HA GLY 88 2HA GLY 88 2.612 6.265 -3.549 730 H VAL 89 H VAL 89 0.248 4.417 -1.589 731 HA VAL 89 HA VAL 89 1.110 1.936 -3.026 732 HB VAL 89 HB VAL 89 1.315 1.986 -0.518 733 1HG1 VAL 89 1HG1 VAL 89 -0.931 3.003 -0.006 734 2HG1 VAL 89 2HG1 VAL 89 -1.680 1.469 -0.520 735 3HG1 VAL 89 3HG1 VAL 89 -0.573 1.498 0.867 736 1HG2 VAL 89 1HG2 VAL 89 1.432 -0.047 -1.864 737 2HG2 VAL 89 2HG2 VAL 89 0.627 -0.340 -0.318 738 3HG2 VAL 89 3HG2 VAL 89 -0.332 -0.212 -1.814 739 H VAL 90 H VAL 90 -0.068 1.201 -4.547 740 HA VAL 90 HA VAL 90 -2.904 2.116 -4.895 741 HB VAL 90 HB VAL 90 -0.761 2.155 -7.055 742 1HG1 VAL 90 1HG1 VAL 90 -3.604 3.205 -7.052 743 2HG1 VAL 90 2HG1 VAL 90 -2.376 3.729 -8.209 744 3HG1 VAL 90 3HG1 VAL 90 -2.847 2.040 -8.147 745 1HG2 VAL 90 1HG2 VAL 90 -1.692 4.513 -5.396 746 2HG2 VAL 90 2HG2 VAL 90 -0.060 3.815 -5.468 747 3HG2 VAL 90 3HG2 VAL 90 -0.706 4.608 -6.885 748 H SER 91 H SER 91 -4.153 0.769 -6.397 749 HA SER 91 HA SER 91 -2.698 -1.357 -7.778 750 1HB SER 91 1HB SER 91 -5.003 -2.122 -5.975 751 2HB SER 91 2HB SER 91 -4.028 -3.202 -6.973 752 HG SER 91 HG SER 91 -2.369 -1.793 -5.462 753 H ILE 92 H ILE 92 -3.804 -2.232 -9.521 754 HA ILE 92 HA ILE 92 -6.203 -0.704 -10.429 755 HB ILE 92 HB ILE 92 -3.988 -1.683 -12.229 756 1HG1 ILE 92 1HG1 ILE 92 -2.975 0.036 -10.763 757 2HG1 ILE 92 2HG1 ILE 92 -3.072 0.527 -12.444 758 1HG2 ILE 92 1HG2 ILE 92 -6.176 -1.322 -13.316 759 2HG2 ILE 92 2HG2 ILE 92 -6.268 0.309 -12.650 760 3HG2 ILE 92 3HG2 ILE 92 -5.018 -0.092 -13.842 761 1HD1 ILE 92 1HD1 ILE 92 -4.961 1.441 -10.260 762 2HD1 ILE 92 2HD1 ILE 92 -3.579 2.357 -10.874 763 3HD1 ILE 92 3HD1 ILE 92 -4.950 2.023 -11.944 764 H LEU 93 H LEU 93 -7.783 -1.768 -11.298 765 HA LEU 93 HA LEU 93 -7.773 -4.752 -11.192 766 1HB LEU 93 1HB LEU 93 -10.067 -2.805 -10.681 767 2HB LEU 93 2HB LEU 93 -10.086 -4.549 -10.528 768 HG LEU 93 HG LEU 93 -8.173 -4.152 -8.726 769 1HD1 LEU 93 1HD1 LEU 93 -9.679 -1.491 -8.661 770 2HD1 LEU 93 2HD1 LEU 93 -8.624 -2.106 -7.375 771 3HD1 LEU 93 3HD1 LEU 93 -7.940 -1.695 -8.942 772 1HD2 LEU 93 1HD2 LEU 93 -10.383 -5.158 -8.311 773 2HD2 LEU 93 2HD2 LEU 93 -9.936 -4.051 -7.008 774 3HD2 LEU 93 3HD2 LEU 93 -11.112 -3.535 -8.235 775 H GLU 94 H GLU 94 -9.171 -1.974 -12.960 776 HA GLU 94 HA GLU 94 -9.143 -3.653 -15.413 777 1HB GLU 94 1HB GLU 94 -11.500 -1.823 -14.814 778 2HB GLU 94 2HB GLU 94 -11.182 -2.722 -16.280 779 1HG GLU 94 1HG GLU 94 -12.666 -4.153 -15.415 780 2HG GLU 94 2HG GLU 94 -11.265 -4.819 -14.595 781 H ALA 95 H ALA 95 -7.310 -2.607 -16.207 782 HA ALA 95 HA ALA 95 -7.258 0.292 -16.444 783 1HB ALA 95 1HB ALA 95 -5.154 -0.888 -16.206 784 2HB ALA 95 2HB ALA 95 -5.456 -1.742 -17.755 785 3HB ALA 95 3HB ALA 95 -5.237 0.016 -17.698 786 H GLY 96 H GLY 96 -9.580 -0.042 -17.355 787 1HA GLY 96 1HA GLY 96 -9.955 -0.762 -20.142 788 2HA GLY 96 2HA GLY 96 -11.102 0.093 -19.109 789 H ASP 97 H ASP 97 -7.826 1.028 -20.077 790 HA ASP 97 HA ASP 97 -8.779 3.432 -21.529 791 1HB ASP 97 1HB ASP 97 -8.753 3.808 -18.973 792 2HB ASP 97 2HB ASP 97 -7.013 3.719 -19.059 793 H SER 98 H SER 98 -5.613 2.914 -19.986 794 HA SER 98 HA SER 98 -4.427 2.151 -22.613 795 1HB SER 98 1HB SER 98 -3.365 4.142 -22.162 796 2HB SER 98 2HB SER 98 -3.269 3.860 -20.432 797 HG SER 98 HG SER 98 -1.709 2.273 -22.319 798 H ASP 99 H ASP 99 -2.935 0.692 -22.625 799 HA ASP 99 HA ASP 99 -3.257 -1.870 -21.716 800 1HB ASP 99 1HB ASP 99 -1.095 -2.041 -23.023 801 2HB ASP 99 2HB ASP 99 -2.320 -1.066 -23.826 802 H ILE 100 H ILE 100 -2.317 0.195 -19.390 803 HA ILE 100 HA ILE 100 0.348 -0.322 -18.786 804 HB ILE 100 HB ILE 100 -1.192 1.401 -17.726 805 1HG1 ILE 100 1HG1 ILE 100 0.767 0.003 -15.880 806 2HG1 ILE 100 2HG1 ILE 100 1.245 1.028 -17.239 807 1HG2 ILE 100 1HG2 ILE 100 -2.792 -0.280 -16.648 808 2HG2 ILE 100 2HG2 ILE 100 -1.474 -0.655 -15.487 809 3HG2 ILE 100 3HG2 ILE 100 -2.171 0.965 -15.563 810 1HD1 ILE 100 1HD1 ILE 100 -0.026 2.920 -16.152 811 2HD1 ILE 100 2HD1 ILE 100 -0.229 1.883 -14.723 812 3HD1 ILE 100 3HD1 ILE 100 1.394 2.350 -15.253 813 H LEU 101 H LEU 101 -2.308 -2.208 -17.316 814 HA LEU 101 HA LEU 101 -0.555 -4.074 -16.105 815 1HB LEU 101 1HB LEU 101 -2.742 -5.547 -16.064 816 2HB LEU 101 2HB LEU 101 -2.261 -4.336 -14.923 817 HG LEU 101 HG LEU 101 -3.823 -3.010 -16.963 818 1HD1 LEU 101 1HD1 LEU 101 -4.889 -5.188 -17.466 819 2HD1 LEU 101 2HD1 LEU 101 -5.376 -5.301 -15.753 820 3HD1 LEU 101 3HD1 LEU 101 -5.968 -3.963 -16.767 821 1HD2 LEU 101 1HD2 LEU 101 -4.227 -3.751 -14.040 822 2HD2 LEU 101 2HD2 LEU 101 -3.472 -2.289 -14.696 823 3HD2 LEU 101 3HD2 LEU 101 -5.225 -2.597 -14.912 824 H THR 102 H THR 102 -1.013 -3.878 -19.444 825 HA THR 102 HA THR 102 0.061 -6.657 -19.645 826 HB THR 102 HB THR 102 -2.017 -6.552 -20.864 827 HG1 THR 102 HG1 THR 102 0.476 -6.899 -22.062 828 1HG2 THR 102 1HG2 THR 102 -0.644 -4.472 -22.620 829 2HG2 THR 102 2HG2 THR 102 -2.118 -5.365 -23.037 830 3HG2 THR 102 3HG2 THR 102 -2.131 -4.254 -21.663 831 H THR 103 H THR 103 0.932 -3.312 -20.049 832 HA THR 103 HA THR 103 3.423 -4.181 -21.468 833 HB THR 103 HB THR 103 3.783 -1.759 -21.894 834 HG1 THR 103 HG1 THR 103 1.378 -0.779 -21.798 835 1HG2 THR 103 1HG2 THR 103 2.793 -3.315 -23.567 836 2HG2 THR 103 2HG2 THR 103 1.172 -2.867 -22.988 837 3HG2 THR 103 3HG2 THR 103 2.224 -1.650 -23.746 838 H LEU 104 H LEU 104 2.397 -2.286 -18.652 839 HA LEU 104 HA LEU 104 5.080 -2.160 -17.445 840 1HB LEU 104 1HB LEU 104 3.241 -0.384 -17.448 841 2HB LEU 104 2HB LEU 104 2.328 -1.428 -16.385 842 HG LEU 104 HG LEU 104 3.706 0.682 -15.619 843 1HD1 LEU 104 1HD1 LEU 104 2.175 -0.668 -14.206 844 2HD1 LEU 104 2HD1 LEU 104 3.548 -1.723 -13.798 845 3HD1 LEU 104 3HD1 LEU 104 3.584 -0.017 -13.348 846 1HD2 LEU 104 1HD2 LEU 104 5.902 -0.205 -16.301 847 2HD2 LEU 104 2HD2 LEU 104 5.798 0.196 -14.577 848 3HD2 LEU 104 3HD2 LEU 104 5.725 -1.508 -15.094 849 H ALA 105 H ALA 105 4.349 -4.720 -18.119 850 HA ALA 105 HA ALA 105 3.039 -6.082 -15.845 851 1HB ALA 105 1HB ALA 105 2.044 -6.327 -18.061 852 2HB ALA 105 2HB ALA 105 3.578 -6.965 -18.709 853 3HB ALA 105 3HB ALA 105 2.671 -7.887 -17.494
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