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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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11657 |
1rsw ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 H ASP 1 -5.597 0.389 2.380 2 HA ASP 1 HA ASP 1 -3.015 -0.407 1.547 3 2HB ASP 1 2HB ASP 1 -4.000 -2.251 2.480 4 H LYS 2 H LYS 2 -2.675 -1.566 -0.630 5 HA LYS 2 HA LYS 2 -2.687 -1.568 -2.836 6 2HB LYS 2 2HB LYS 2 -5.445 -0.871 -3.390 7 2HG LYS 2 2HG LYS 2 -3.528 -3.153 -3.734 8 2HD LYS 2 2HD LYS 2 -5.381 -4.631 -4.538 9 2HE LYS 2 2HE LYS 2 -5.981 -3.851 -1.660 10 1HZ LYS 2 1HZ LYS 2 -6.595 -5.989 -1.497 11 2HZ LYS 2 2HZ LYS 2 -6.893 -5.831 -3.095 12 3HZ LYS 2 3HZ LYS 2 -5.513 -6.542 -2.588 13 H ASN 3 H ASN 3 -3.541 1.182 -1.001 14 HA ASN 3 HA ASN 3 -2.263 2.887 -2.748 15 2HB ASN 3 2HB ASN 3 -5.289 2.806 -2.955 16 1HD2 ASN 3 1HD2 ASN 3 -6.438 4.544 -2.670 17 2HD2 ASN 3 2HD2 ASN 3 -5.914 6.191 -2.787 18 H GLY 4 H GLY 4 -4.472 2.142 -0.092 19 1HA GLY 4 1HA GLY 4 -4.869 4.563 1.150 20 2HA GLY 4 2HA GLY 4 -4.710 3.019 1.964 21 H ASP 5 H ASP 5 -1.872 2.733 0.733 22 HA ASP 5 HA ASP 5 -0.601 4.644 2.531 23 2HB ASP 5 2HB ASP 5 0.139 1.739 1.947 24 H GLY 6 H GLY 6 -0.417 2.562 -0.416 25 1HA GLY 6 1HA GLY 6 0.624 4.350 -2.163 26 2HA GLY 6 2HA GLY 6 2.047 3.741 -1.342 27 H GLU 7 H GLU 7 -0.679 2.934 -3.477 28 HA GLU 7 HA GLU 7 -1.117 1.225 -4.750 29 2HB GLU 7 2HB GLU 7 0.836 0.177 -5.950 30 2HG GLU 7 2HG GLU 7 1.417 2.138 -7.122 31 H VAL 8 H VAL 8 -1.357 0.621 -2.007 32 HA VAL 8 HA VAL 8 -1.959 -1.329 -1.002 33 HB VAL 8 HB VAL 8 -1.322 -2.416 -3.299 34 1HG1 VAL 8 1HG1 VAL 8 0.712 -3.344 -3.564 35 2HG1 VAL 8 2HG1 VAL 8 1.221 -2.238 -2.266 36 3HG1 VAL 8 3HG1 VAL 8 0.776 -3.918 -1.880 37 1HG2 VAL 8 1HG2 VAL 8 -1.479 -3.835 -0.628 38 2HG2 VAL 8 2HG2 VAL 8 -2.781 -3.542 -1.806 39 3HG2 VAL 8 3HG2 VAL 8 -1.484 -4.701 -2.183 40 H SER 9 H SER 9 0.721 0.555 -1.065 41 HA SER 9 HA SER 9 2.779 -0.457 0.135 42 2HB SER 9 2HB SER 9 2.762 1.636 1.688 43 HG SER 9 HG SER 9 3.529 2.749 0.004 44 H PHE 10 H PHE 10 -0.364 0.160 1.826 45 HA PHE 10 HA PHE 10 0.550 -0.778 4.325 46 2HB PHE 10 2HB PHE 10 -1.989 0.003 2.907 47 HD1 PHE 10 1HD PHE 10 -4.235 -0.390 3.597 48 HD2 PHE 10 2HD PHE 10 -1.032 -2.279 5.641 49 HE1 PHE 10 1HE PHE 10 -5.868 -1.901 4.761 50 HE2 PHE 10 2HE PHE 10 -2.664 -3.790 6.804 51 HZ PHE 10 HZ PHE 10 -5.062 -3.583 6.351 52 H GLU 11 H GLU 11 -1.511 -2.253 1.723 53 HA GLU 11 HA GLU 11 -1.367 -4.762 3.123 54 2HB GLU 11 2HB GLU 11 -2.710 -5.309 0.788 55 2HG GLU 11 2HG GLU 11 -4.766 -4.989 2.078 56 H GLU 12 H GLU 12 0.816 -3.146 1.362 57 HA GLU 12 HA GLU 12 1.449 -5.244 -0.499 58 2HB GLU 12 2HB GLU 12 3.170 -2.808 0.043 59 2HG GLU 12 2HG GLU 12 4.005 -3.182 -2.083 Start of MODEL 2 1 1H ASP 1 H ASP 1 -4.370 2.763 2.468 2 HA ASP 1 HA ASP 1 -3.044 0.264 2.412 3 2HB ASP 1 2HB ASP 1 -4.393 0.216 4.256 4 H LYS 2 H LYS 2 -2.836 -0.058 0.037 5 HA LYS 2 HA LYS 2 -3.736 -1.583 -1.508 6 2HB LYS 2 2HB LYS 2 -6.430 -0.289 -1.442 7 2HG LYS 2 2HG LYS 2 -5.217 -3.005 -2.034 8 2HD LYS 2 2HD LYS 2 -7.263 -4.120 -1.849 9 2HE LYS 2 2HE LYS 2 -7.767 -1.976 0.255 10 1HZ LYS 2 1HZ LYS 2 -8.529 -4.707 -0.204 11 2HZ LYS 2 2HZ LYS 2 -8.099 -4.359 1.334 12 3HZ LYS 2 3HZ LYS 2 -9.309 -3.529 0.617 13 H ASN 3 H ASN 3 -2.316 0.948 -1.511 14 HA ASN 3 HA ASN 3 -1.633 1.744 -3.641 15 2HB ASN 3 2HB ASN 3 -4.627 2.311 -3.947 16 1HD2 ASN 3 1HD2 ASN 3 -1.852 2.046 -6.131 17 2HD2 ASN 3 2HD2 ASN 3 -2.003 3.600 -6.882 18 H GLY 4 H GLY 4 -2.882 2.577 -0.727 19 1HA GLY 4 1HA GLY 4 -2.425 5.474 -1.129 20 2HA GLY 4 2HA GLY 4 -3.681 4.843 -0.082 21 H ASP 5 H ASP 5 -2.476 2.732 1.263 22 HA ASP 5 HA ASP 5 -0.891 4.158 3.091 23 2HB ASP 5 2HB ASP 5 -1.586 1.202 2.796 24 H GLY 6 H GLY 6 -0.344 1.474 0.705 25 1HA GLY 6 1HA GLY 6 2.553 2.054 0.831 26 2HA GLY 6 2HA GLY 6 1.928 0.416 0.810 27 H GLU 7 H GLU 7 -0.259 0.738 -1.031 28 HA GLU 7 HA GLU 7 -0.323 1.910 -3.220 29 2HB GLU 7 2HB GLU 7 1.578 0.737 -4.729 30 2HG GLU 7 2HG GLU 7 1.946 2.963 -4.984 31 H VAL 8 H VAL 8 -1.203 -0.467 -1.556 32 HA VAL 8 HA VAL 8 -2.618 -1.824 -3.477 33 HB VAL 8 HB VAL 8 -0.306 -2.594 -4.129 34 1HG1 VAL 8 1HG1 VAL 8 1.035 -3.819 -2.765 35 2HG1 VAL 8 2HG1 VAL 8 0.148 -2.949 -1.490 36 3HG1 VAL 8 3HG1 VAL 8 -0.333 -4.603 -1.939 37 1HG2 VAL 8 1HG2 VAL 8 -1.383 -4.299 -5.082 38 2HG2 VAL 8 2HG2 VAL 8 -1.509 -5.152 -3.524 39 3HG2 VAL 8 3HG2 VAL 8 -2.760 -3.979 -4.001 40 H SER 9 H SER 9 -2.337 -0.659 -0.620 41 HA SER 9 HA SER 9 -3.931 -1.101 0.967 42 2HB SER 9 2HB SER 9 -3.336 -4.071 0.641 43 HG SER 9 HG SER 9 -5.262 -4.332 1.825 44 H PHE 10 H PHE 10 -1.523 -0.102 1.419 45 HA PHE 10 HA PHE 10 0.149 0.093 2.842 46 2HB PHE 10 2HB PHE 10 -1.737 -0.217 4.480 47 HD1 PHE 10 1HD PHE 10 0.082 -3.475 4.566 48 HD2 PHE 10 2HD PHE 10 -3.667 -1.486 4.542 49 HE1 PHE 10 1HE PHE 10 -1.087 -5.673 4.890 50 HE2 PHE 10 2HE PHE 10 -4.835 -3.684 4.865 51 HZ PHE 10 HZ PHE 10 -3.532 -5.751 5.036 52 H GLU 11 H GLU 11 -0.657 -2.995 1.524 53 HA GLU 11 HA GLU 11 1.501 -4.419 2.651 54 2HB GLU 11 2HB GLU 11 -0.759 -4.966 0.962 55 2HG GLU 11 2HG GLU 11 1.247 -4.900 -0.777 56 H GLU 12 H GLU 12 1.476 -1.805 0.591 57 HA GLU 12 HA GLU 12 3.830 -2.791 -0.824 58 2HB GLU 12 2HB GLU 12 2.088 -0.447 -1.679 59 2HG GLU 12 2HG GLU 12 4.172 -0.353 -2.827 Start of MODEL 3 1 1H ASP 1 H ASP 1 -5.950 -1.803 2.527 2 HA ASP 1 HA ASP 1 -3.280 -1.164 1.872 3 2HB ASP 1 2HB ASP 1 -3.160 -3.331 2.544 4 H LYS 2 H LYS 2 -3.623 0.326 0.014 5 HA LYS 2 HA LYS 2 -3.266 -0.726 -2.443 6 2HB LYS 2 2HB LYS 2 -5.878 -0.020 -3.129 7 2HG LYS 2 2HG LYS 2 -4.305 -2.589 -2.864 8 2HD LYS 2 2HD LYS 2 -6.392 -3.535 -4.222 9 2HE LYS 2 2HE LYS 2 -6.709 -3.256 -1.208 10 1HZ LYS 2 1HZ LYS 2 -6.919 -5.812 -2.270 11 2HZ LYS 2 2HZ LYS 2 -8.084 -4.915 -1.560 12 3HZ LYS 2 3HZ LYS 2 -7.852 -4.823 -3.173 13 H ASN 3 H ASN 3 -1.890 1.054 -2.564 14 HA ASN 3 HA ASN 3 -1.346 3.062 -3.206 15 2HB ASN 3 2HB ASN 3 -4.345 3.288 -3.584 16 1HD2 ASN 3 1HD2 ASN 3 -5.185 5.088 -2.822 17 2HD2 ASN 3 2HD2 ASN 3 -4.562 6.691 -3.027 18 H GLY 4 H GLY 4 -3.605 2.425 -0.612 19 1HA GLY 4 1HA GLY 4 -3.768 4.941 0.625 20 2HA GLY 4 2HA GLY 4 -3.995 3.378 1.385 21 H ASP 5 H ASP 5 -1.196 2.495 0.468 22 HA ASP 5 HA ASP 5 0.313 4.174 2.308 23 2HB ASP 5 2HB ASP 5 0.603 1.150 2.028 24 H GLY 6 H GLY 6 0.659 1.353 0.009 25 1HA GLY 6 1HA GLY 6 2.496 2.888 -1.648 26 2HA GLY 6 2HA GLY 6 3.181 1.505 -0.819 27 H GLU 7 H GLU 7 0.152 2.317 -2.672 28 HA GLU 7 HA GLU 7 -0.737 1.363 -4.426 29 2HB GLU 7 2HB GLU 7 0.519 -0.685 -5.501 30 2HG GLU 7 2HG GLU 7 1.995 0.814 -6.700 31 H VAL 8 H VAL 8 -0.769 0.394 -1.445 32 HA VAL 8 HA VAL 8 -2.792 -1.519 -1.805 33 HB VAL 8 HB VAL 8 -0.861 -2.998 -0.293 34 1HG1 VAL 8 1HG1 VAL 8 -1.320 -4.654 -2.230 35 2HG1 VAL 8 2HG1 VAL 8 -2.682 -4.159 -1.196 36 3HG1 VAL 8 3HG1 VAL 8 -2.476 -3.430 -2.806 37 1HG2 VAL 8 1HG2 VAL 8 0.064 -2.724 -3.140 38 2HG2 VAL 8 2HG2 VAL 8 0.646 -1.580 -1.907 39 3HG2 VAL 8 3HG2 VAL 8 0.940 -3.325 -1.712 40 H SER 9 H SER 9 -2.359 1.040 -0.530 41 HA SER 9 HA SER 9 -2.358 2.060 1.429 42 2HB SER 9 2HB SER 9 -4.270 0.236 2.710 43 HG SER 9 HG SER 9 -5.534 2.072 2.711 44 H PHE 10 H PHE 10 -0.346 -0.160 1.258 45 HA PHE 10 HA PHE 10 1.157 -0.288 3.165 46 2HB PHE 10 2HB PHE 10 -1.054 -0.008 4.623 47 HD1 PHE 10 1HD PHE 10 -3.167 -0.904 4.775 48 HD2 PHE 10 2HD PHE 10 0.139 -3.550 4.507 49 HE1 PHE 10 1HE PHE 10 -4.716 -2.864 5.017 50 HE2 PHE 10 2HE PHE 10 -1.410 -5.511 4.748 51 HZ PHE 10 HZ PHE 10 -3.819 -5.144 5.000 52 H GLU 11 H GLU 11 -1.385 -2.513 1.958 53 HA GLU 11 HA GLU 11 -0.201 -4.893 2.480 54 2HB GLU 11 2HB GLU 11 -2.012 -3.887 0.295 55 2HG GLU 11 2HG GLU 11 -0.558 -5.549 -0.853 56 H GLU 12 H GLU 12 1.322 -2.386 0.956 57 HA GLU 12 HA GLU 12 2.744 -4.123 -0.891 58 2HB GLU 12 2HB GLU 12 2.118 -1.217 -0.799 59 2HG GLU 12 2HG GLU 12 4.485 -0.897 -0.592 Start of MODEL 4 1 1H ASP 1 H ASP 1 -5.107 3.729 1.128 2 HA ASP 1 HA ASP 1 -3.902 1.186 1.055 3 2HB ASP 1 2HB ASP 1 -6.019 0.679 1.681 4 H LYS 2 H LYS 2 -2.999 0.240 -0.780 5 HA LYS 2 HA LYS 2 -2.883 -0.456 -2.907 6 2HB LYS 2 2HB LYS 2 -4.751 1.433 -4.164 7 2HG LYS 2 2HG LYS 2 -4.147 -1.522 -4.102 8 2HD LYS 2 2HD LYS 2 -6.176 -2.071 -5.307 9 2HE LYS 2 2HE LYS 2 -7.287 -0.297 -3.124 10 1HZ LYS 2 1HZ LYS 2 -8.884 -1.785 -3.266 11 2HZ LYS 2 2HZ LYS 2 -8.147 -2.460 -4.558 12 3HZ LYS 2 3HZ LYS 2 -7.859 -3.039 -3.058 13 H ASN 3 H ASN 3 -1.593 1.889 -1.445 14 HA ASN 3 HA ASN 3 0.333 2.534 -3.069 15 2HB ASN 3 2HB ASN 3 -2.105 4.157 -3.835 16 1HD2 ASN 3 1HD2 ASN 3 -1.951 6.192 -3.164 17 2HD2 ASN 3 2HD2 ASN 3 -0.620 7.263 -3.451 18 H GLY 4 H GLY 4 -2.105 3.521 -0.744 19 1HA GLY 4 1HA GLY 4 -0.140 5.293 0.581 20 2HA GLY 4 2HA GLY 4 -1.845 5.685 0.477 21 H ASP 5 H ASP 5 -2.163 2.480 0.659 22 HA ASP 5 HA ASP 5 -1.325 1.393 2.859 23 2HB ASP 5 2HB ASP 5 -1.788 3.108 4.407 24 H GLY 6 H GLY 6 -2.276 0.199 0.749 25 1HA GLY 6 1HA GLY 6 -4.781 -1.040 1.575 26 2HA GLY 6 2HA GLY 6 -4.802 -0.201 0.037 27 H GLU 7 H GLU 7 -2.459 -0.699 -1.213 28 HA GLU 7 HA GLU 7 -1.728 -3.436 -0.889 29 2HB GLU 7 2HB GLU 7 -2.662 -4.364 -2.794 30 2HG GLU 7 2HG GLU 7 -4.958 -3.132 -3.251 31 H VAL 8 H VAL 8 -1.360 -0.199 -2.067 32 HA VAL 8 HA VAL 8 1.211 -0.936 -3.285 33 HB VAL 8 HB VAL 8 -0.402 1.565 -3.790 34 1HG1 VAL 8 1HG1 VAL 8 1.755 2.027 -4.493 35 2HG1 VAL 8 2HG1 VAL 8 2.083 0.340 -4.959 36 3HG1 VAL 8 3HG1 VAL 8 1.036 1.358 -5.978 37 1HG2 VAL 8 1HG2 VAL 8 -1.727 -0.407 -4.452 38 2HG2 VAL 8 2HG2 VAL 8 -1.193 0.537 -5.863 39 3HG2 VAL 8 3HG2 VAL 8 -0.366 -0.982 -5.445 40 H SER 9 H SER 9 -0.034 -0.068 -0.414 41 HA SER 9 HA SER 9 2.327 1.487 0.191 42 2HB SER 9 2HB SER 9 0.233 2.589 1.791 43 HG SER 9 HG SER 9 2.238 3.603 0.816 44 H PHE 10 H PHE 10 -0.760 0.234 1.675 45 HA PHE 10 HA PHE 10 0.657 -0.526 4.050 46 2HB PHE 10 2HB PHE 10 -1.942 0.194 3.321 47 HD1 PHE 10 1HD PHE 10 -4.090 -0.680 2.962 48 HD2 PHE 10 2HD PHE 10 -0.896 -3.324 3.860 49 HE1 PHE 10 1HE PHE 10 -5.558 -2.640 2.411 50 HE2 PHE 10 2HE PHE 10 -2.364 -5.285 3.309 51 HZ PHE 10 HZ PHE 10 -4.678 -4.919 2.591 52 H GLU 11 H GLU 11 -1.053 -2.214 1.331 53 HA GLU 11 HA GLU 11 -0.167 -4.734 2.366 54 2HB GLU 11 2HB GLU 11 -2.166 -3.777 0.448 55 2HG GLU 11 2HG GLU 11 -0.373 -4.918 -1.064 56 H GLU 12 H GLU 12 1.220 -2.251 0.554 57 HA GLU 12 HA GLU 12 2.860 -4.161 -0.920 58 2HB GLU 12 2HB GLU 12 3.265 -1.424 -1.784 59 2HG GLU 12 2HG GLU 12 2.369 -2.395 -3.945 Start of MODEL 5 1 1H ASP 1 H ASP 1 -5.061 3.708 1.176 2 HA ASP 1 HA ASP 1 -3.976 1.130 1.047 3 2HB ASP 1 2HB ASP 1 -6.130 1.021 1.863 4 H LYS 2 H LYS 2 -3.005 0.255 -0.787 5 HA LYS 2 HA LYS 2 -2.895 -0.454 -2.914 6 2HB LYS 2 2HB LYS 2 -4.741 1.419 -4.205 7 2HG LYS 2 2HG LYS 2 -4.160 -1.531 -4.066 8 2HD LYS 2 2HD LYS 2 -6.219 -2.145 -5.157 9 2HE LYS 2 2HE LYS 2 -7.311 -0.236 -3.085 10 1HZ LYS 2 1HZ LYS 2 -8.805 -1.801 -3.882 11 2HZ LYS 2 2HZ LYS 2 -7.726 -3.025 -3.867 12 3HZ LYS 2 3HZ LYS 2 -8.313 -2.437 -2.461 13 H ASN 3 H ASN 3 -1.617 1.896 -1.442 14 HA ASN 3 HA ASN 3 0.316 2.543 -3.058 15 2HB ASN 3 2HB ASN 3 -2.119 4.167 -3.828 16 1HD2 ASN 3 1HD2 ASN 3 -1.695 6.055 -2.641 17 2HD2 ASN 3 2HD2 ASN 3 -0.458 7.177 -3.100 18 H GLY 4 H GLY 4 -2.142 3.546 -0.754 19 1HA GLY 4 1HA GLY 4 -0.186 5.324 0.577 20 2HA GLY 4 2HA GLY 4 -1.897 5.688 0.485 21 H ASP 5 H ASP 5 -2.114 2.459 0.658 22 HA ASP 5 HA ASP 5 -1.266 1.374 2.838 23 2HB ASP 5 2HB ASP 5 -3.386 2.130 4.438 24 H GLY 6 H GLY 6 -2.251 0.185 0.743 25 1HA GLY 6 1HA GLY 6 -4.738 -1.064 1.605 26 2HA GLY 6 2HA GLY 6 -4.788 -0.220 0.071 27 H GLU 7 H GLU 7 -2.450 -0.706 -1.208 28 HA GLU 7 HA GLU 7 -1.726 -3.449 -0.913 29 2HB GLU 7 2HB GLU 7 -2.650 -4.345 -2.846 30 2HG GLU 7 2HG GLU 7 -4.976 -3.152 -3.227 31 H VAL 8 H VAL 8 -1.356 -0.202 -2.075 32 HA VAL 8 HA VAL 8 1.212 -0.938 -3.303 33 HB VAL 8 HB VAL 8 -0.400 1.570 -3.783 34 1HG1 VAL 8 1HG1 VAL 8 1.947 1.803 -4.329 35 2HG1 VAL 8 2HG1 VAL 8 1.923 0.282 -5.255 36 3HG1 VAL 8 3HG1 VAL 8 1.008 1.695 -5.837 37 1HG2 VAL 8 1HG2 VAL 8 -1.185 0.558 -5.870 38 2HG2 VAL 8 2HG2 VAL 8 -0.367 -0.967 -5.454 39 3HG2 VAL 8 3HG2 VAL 8 -1.728 -0.389 -4.463 40 H SER 9 H SER 9 -0.049 -0.053 -0.429 41 HA SER 9 HA SER 9 2.330 1.475 0.185 42 2HB SER 9 2HB SER 9 0.237 2.577 1.790 43 HG SER 9 HG SER 9 2.285 3.536 0.720 44 H PHE 10 H PHE 10 -0.766 0.271 1.694 45 HA PHE 10 HA PHE 10 0.642 -0.511 4.057 46 2HB PHE 10 2HB PHE 10 -1.958 0.194 3.307 47 HD1 PHE 10 1HD PHE 10 -0.882 -3.310 3.858 48 HD2 PHE 10 2HD PHE 10 -4.107 -0.700 2.972 49 HE1 PHE 10 1HE PHE 10 -2.334 -5.286 3.320 50 HE2 PHE 10 2HE PHE 10 -5.559 -2.674 2.433 51 HZ PHE 10 HZ PHE 10 -4.655 -4.944 2.614 52 H GLU 11 H GLU 11 -1.053 -2.206 1.333 53 HA GLU 11 HA GLU 11 -0.157 -4.721 2.370 54 2HB GLU 11 2HB GLU 11 -2.154 -3.774 0.443 55 2HG GLU 11 2HG GLU 11 -0.361 -4.919 -1.059 56 H GLU 12 H GLU 12 1.219 -2.232 0.556 57 HA GLU 12 HA GLU 12 2.873 -4.134 -0.911 58 2HB GLU 12 2HB GLU 12 3.254 -1.396 -1.787 59 2HG GLU 12 2HG GLU 12 2.378 -2.385 -3.945 Start of MODEL 6 1 1H ASP 1 H ASP 1 -5.764 0.791 2.484 2 HA ASP 1 HA ASP 1 -3.497 -0.614 1.635 3 2HB ASP 1 2HB ASP 1 -4.935 -1.832 3.052 4 H LYS 2 H LYS 2 -3.438 0.901 -0.456 5 HA LYS 2 HA LYS 2 -3.802 -0.563 -2.692 6 2HB LYS 2 2HB LYS 2 -5.980 1.083 -3.355 7 2HG LYS 2 2HG LYS 2 -5.537 -1.862 -2.812 8 2HD LYS 2 2HD LYS 2 -7.890 -2.171 -3.817 9 2HE LYS 2 2HE LYS 2 -7.757 -0.899 -1.041 10 1HZ LYS 2 1HZ LYS 2 -9.560 -2.901 -2.213 11 2HZ LYS 2 2HZ LYS 2 -9.587 -2.396 -0.660 12 3HZ LYS 2 3HZ LYS 2 -9.958 -1.357 -1.864 13 H ASN 3 H ASN 3 -1.937 1.204 -1.575 14 HA ASN 3 HA ASN 3 -0.688 2.482 -3.219 15 2HB ASN 3 2HB ASN 3 -3.314 4.037 -3.196 16 1HD2 ASN 3 1HD2 ASN 3 -0.512 4.275 -5.297 17 2HD2 ASN 3 2HD2 ASN 3 -0.130 5.939 -5.002 18 H GLY 4 H GLY 4 -3.087 4.170 -1.038 19 1HA GLY 4 1HA GLY 4 -0.950 5.616 0.290 20 2HA GLY 4 2HA GLY 4 -2.678 5.782 0.539 21 H ASP 5 H ASP 5 -2.621 2.582 0.629 22 HA ASP 5 HA ASP 5 -1.246 2.111 3.058 23 2HB ASP 5 2HB ASP 5 -2.924 2.613 4.498 24 H GLY 6 H GLY 6 -1.544 1.114 0.227 25 1HA GLY 6 1HA GLY 6 -1.741 -1.688 0.798 26 2HA GLY 6 2HA GLY 6 -3.107 -1.102 -0.130 27 H GLU 7 H GLU 7 -2.872 -1.364 -2.301 28 HA GLU 7 HA GLU 7 -1.368 -2.280 -3.911 29 2HB GLU 7 2HB GLU 7 -1.169 -0.173 -5.412 30 2HG GLU 7 2HG GLU 7 -3.320 -0.577 -6.071 31 H VAL 8 H VAL 8 -0.050 0.026 -1.625 32 HA VAL 8 HA VAL 8 2.585 -0.899 -2.139 33 HB VAL 8 HB VAL 8 2.979 0.540 -3.817 34 1HG1 VAL 8 1HG1 VAL 8 1.008 2.588 -2.763 35 2HG1 VAL 8 2HG1 VAL 8 1.711 2.475 -4.395 36 3HG1 VAL 8 3HG1 VAL 8 0.546 1.248 -3.840 37 1HG2 VAL 8 1HG2 VAL 8 4.136 1.367 -1.597 38 2HG2 VAL 8 2HG2 VAL 8 4.258 2.320 -3.094 39 3HG2 VAL 8 3HG2 VAL 8 3.093 2.790 -1.834 40 H SER 9 H SER 9 1.152 2.221 -0.945 41 HA SER 9 HA SER 9 2.547 2.774 1.125 42 2HB SER 9 2HB SER 9 0.192 3.072 2.411 43 HG SER 9 HG SER 9 1.419 4.818 1.445 44 H PHE 10 H PHE 10 -0.239 0.475 1.629 45 HA PHE 10 HA PHE 10 1.438 -0.871 3.630 46 2HB PHE 10 2HB PHE 10 -1.312 0.278 3.603 47 HD1 PHE 10 1HD PHE 10 0.076 -3.068 4.320 48 HD2 PHE 10 2HD PHE 10 -3.352 -0.571 4.476 49 HE1 PHE 10 1HE PHE 10 -1.355 -5.064 4.842 50 HE2 PHE 10 2HE PHE 10 -4.782 -2.566 4.998 51 HZ PHE 10 HZ PHE 10 -3.767 -4.789 5.175 52 H GLU 11 H GLU 11 -1.827 -1.874 2.636 53 HA GLU 11 HA GLU 11 -1.641 -4.380 2.381 54 2HB GLU 11 2HB GLU 11 -3.261 -2.490 1.150 55 2HG GLU 11 2HG GLU 11 -1.571 -3.144 -0.893 56 H GLU 12 H GLU 12 0.268 -2.190 0.367 57 HA GLU 12 HA GLU 12 1.534 -4.554 -0.779 58 2HB GLU 12 2HB GLU 12 1.863 -2.227 -2.491 59 2HG GLU 12 2HG GLU 12 1.326 -3.760 -4.186 Start of MODEL 7 1 1H ASP 1 H ASP 1 -5.122 3.715 1.105 2 HA ASP 1 HA ASP 1 -3.899 1.179 1.023 3 2HB ASP 1 2HB ASP 1 -6.020 0.665 1.636 4 H LYS 2 H LYS 2 -2.999 0.231 -0.813 5 HA LYS 2 HA LYS 2 -2.865 -0.442 -2.945 6 2HB LYS 2 2HB LYS 2 -4.694 1.470 -4.215 7 2HG LYS 2 2HG LYS 2 -4.144 -1.494 -4.133 8 2HD LYS 2 2HD LYS 2 -6.171 -1.999 -5.381 9 2HE LYS 2 2HE LYS 2 -7.254 -0.256 -3.157 10 1HZ LYS 2 1HZ LYS 2 -7.890 -2.736 -4.468 11 2HZ LYS 2 2HZ LYS 2 -8.161 -2.704 -2.858 12 3HZ LYS 2 3HZ LYS 2 -8.884 -1.609 -3.830 13 H ASN 3 H ASN 3 -1.707 2.021 -1.426 14 HA ASN 3 HA ASN 3 0.280 2.628 -3.068 15 2HB ASN 3 2HB ASN 3 -2.149 4.324 -3.710 16 1HD2 ASN 3 1HD2 ASN 3 0.677 4.798 -5.500 17 2HD2 ASN 3 2HD2 ASN 3 1.131 6.369 -4.928 18 H GLY 4 H GLY 4 -2.174 3.670 -0.742 19 1HA GLY 4 1HA GLY 4 -0.155 5.335 0.642 20 2HA GLY 4 2HA GLY 4 -1.860 5.734 0.580 21 H ASP 5 H ASP 5 -2.240 2.550 0.670 22 HA ASP 5 HA ASP 5 -1.346 1.391 2.831 23 2HB ASP 5 2HB ASP 5 -1.811 3.013 4.456 24 H GLY 6 H GLY 6 -2.276 0.198 0.739 25 1HA GLY 6 1HA GLY 6 -4.804 -1.026 1.518 26 2HA GLY 6 2HA GLY 6 -4.783 -0.198 -0.026 27 H GLU 7 H GLU 7 -2.463 -0.725 -1.259 28 HA GLU 7 HA GLU 7 -1.744 -3.466 -0.884 29 2HB GLU 7 2HB GLU 7 -2.638 -4.393 -2.809 30 2HG GLU 7 2HG GLU 7 -4.920 -3.174 -3.314 31 H VAL 8 H VAL 8 -1.355 -0.247 -2.161 32 HA VAL 8 HA VAL 8 1.250 -1.013 -3.281 33 HB VAL 8 HB VAL 8 -0.294 1.517 -3.838 34 1HG1 VAL 8 1HG1 VAL 8 1.282 0.702 -6.037 35 2HG1 VAL 8 2HG1 VAL 8 1.568 2.071 -4.935 36 3HG1 VAL 8 3HG1 VAL 8 2.296 0.483 -4.590 37 1HG2 VAL 8 1HG2 VAL 8 -0.375 -1.074 -5.422 38 2HG2 VAL 8 2HG2 VAL 8 -1.712 -0.386 -4.468 39 3HG2 VAL 8 3HG2 VAL 8 -1.110 0.473 -5.906 40 H SER 9 H SER 9 -0.083 -0.062 -0.456 41 HA SER 9 HA SER 9 2.277 1.501 0.169 42 2HB SER 9 2HB SER 9 0.974 3.364 0.280 43 HG SER 9 HG SER 9 -1.108 1.476 0.052 44 H PHE 10 H PHE 10 -0.780 0.239 1.706 45 HA PHE 10 HA PHE 10 0.676 -0.536 4.044 46 2HB PHE 10 2HB PHE 10 -1.928 0.181 3.377 47 HD1 PHE 10 1HD PHE 10 -0.906 -3.357 3.878 48 HD2 PHE 10 2HD PHE 10 -4.057 -0.675 2.938 49 HE1 PHE 10 1HE PHE 10 -2.382 -5.299 3.286 50 HE2 PHE 10 2HE PHE 10 -5.533 -2.617 2.346 51 HZ PHE 10 HZ PHE 10 -4.678 -4.906 2.527 52 H GLU 11 H GLU 11 -1.066 -2.232 1.350 53 HA GLU 11 HA GLU 11 -0.169 -4.751 2.364 54 2HB GLU 11 2HB GLU 11 -2.144 -3.782 0.422 55 2HG GLU 11 2HG GLU 11 -0.351 -4.938 -1.068 56 H GLU 12 H GLU 12 1.241 -2.259 0.588 57 HA GLU 12 HA GLU 12 2.896 -4.161 -0.879 58 2HB GLU 12 2HB GLU 12 3.292 -1.421 -1.742 59 2HG GLU 12 2HG GLU 12 2.462 -2.394 -3.914 Start of MODEL 8 1 1H ASP 1 H ASP 1 -5.868 1.481 2.499 2 HA ASP 1 HA ASP 1 -3.357 0.428 1.780 3 2HB ASP 1 2HB ASP 1 -4.772 -0.517 3.596 4 H LYS 2 H LYS 2 -3.574 1.352 -0.562 5 HA LYS 2 HA LYS 2 -3.938 -0.664 -2.375 6 2HB LYS 2 2HB LYS 2 -6.145 0.670 -3.372 7 2HG LYS 2 2HG LYS 2 -5.651 -1.921 -1.913 8 2HD LYS 2 2HD LYS 2 -8.160 -2.400 -2.650 9 2HE LYS 2 2HE LYS 2 -7.626 -0.762 -0.129 10 1HZ LYS 2 1HZ LYS 2 -9.784 -1.281 0.006 11 2HZ LYS 2 2HZ LYS 2 -9.707 -2.517 -1.058 12 3HZ LYS 2 3HZ LYS 2 -9.238 -2.741 0.490 13 H ASN 3 H ASN 3 -2.152 1.486 -1.665 14 HA ASN 3 HA ASN 3 -0.928 2.316 -3.615 15 2HB ASN 3 2HB ASN 3 -3.626 3.686 -3.980 16 1HD2 ASN 3 1HD2 ASN 3 -3.712 5.715 -4.535 17 2HD2 ASN 3 2HD2 ASN 3 -2.428 6.693 -5.163 18 H GLY 4 H GLY 4 -2.856 3.314 -0.896 19 1HA GLY 4 1HA GLY 4 -0.939 5.480 -0.298 20 2HA GLY 4 2HA GLY 4 -2.664 5.706 -0.093 21 H ASP 5 H ASP 5 -2.497 2.528 0.561 22 HA ASP 5 HA ASP 5 -1.197 2.557 3.066 23 2HB ASP 5 2HB ASP 5 -2.913 3.162 4.414 24 H GLY 6 H GLY 6 -1.354 1.043 0.485 25 1HA GLY 6 1HA GLY 6 -1.344 -1.591 1.470 26 2HA GLY 6 2HA GLY 6 -2.881 -1.295 0.681 27 H GLU 7 H GLU 7 -3.012 -1.361 -1.551 28 HA GLU 7 HA GLU 7 -1.603 -2.615 -3.182 29 2HB GLU 7 2HB GLU 7 -1.812 -0.567 -4.902 30 2HG GLU 7 2HG GLU 7 -3.682 -1.705 -5.490 31 H VAL 8 H VAL 8 -0.363 0.371 -1.697 32 HA VAL 8 HA VAL 8 2.277 -0.330 -2.735 33 HB VAL 8 HB VAL 8 2.755 1.811 -3.494 34 1HG1 VAL 8 1HG1 VAL 8 0.029 0.859 -4.282 35 2HG1 VAL 8 2HG1 VAL 8 0.575 2.448 -4.869 36 3HG1 VAL 8 3HG1 VAL 8 1.520 0.987 -5.245 37 1HG2 VAL 8 1HG2 VAL 8 0.264 2.761 -2.045 38 2HG2 VAL 8 2HG2 VAL 8 1.958 3.141 -1.655 39 3HG2 VAL 8 3HG2 VAL 8 1.227 3.772 -3.150 40 H SER 9 H SER 9 0.583 2.136 -0.659 41 HA SER 9 HA SER 9 2.613 2.502 1.093 42 2HB SER 9 2HB SER 9 0.755 3.112 2.750 43 HG SER 9 HG SER 9 0.660 4.111 0.035 44 H PHE 10 H PHE 10 -0.314 0.457 1.826 45 HA PHE 10 HA PHE 10 1.406 -1.142 3.572 46 2HB PHE 10 2HB PHE 10 -0.719 -1.680 4.686 47 HD1 PHE 10 1HD PHE 10 -2.858 0.076 5.275 48 HD2 PHE 10 2HD PHE 10 1.052 1.080 3.967 49 HE1 PHE 10 1HE PHE 10 -3.078 2.332 6.352 50 HE2 PHE 10 2HE PHE 10 0.832 3.336 5.043 51 HZ PHE 10 HZ PHE 10 -1.230 3.936 6.223 52 H GLU 11 H GLU 11 -1.537 -2.697 2.955 53 HA GLU 11 HA GLU 11 -1.175 -4.970 2.267 54 2HB GLU 11 2HB GLU 11 -3.019 -3.188 1.222 55 2HG GLU 11 2HG GLU 11 -1.292 -3.457 -0.887 56 H GLU 12 H GLU 12 0.558 -2.460 0.540 57 HA GLU 12 HA GLU 12 1.952 -4.569 -0.913 58 2HB GLU 12 2HB GLU 12 1.942 -1.844 -2.129 59 2HG GLU 12 2HG GLU 12 2.275 -3.031 -4.076 Start of MODEL 9 1 1H ASP 1 H ASP 1 -5.716 -1.682 3.060 2 HA ASP 1 HA ASP 1 -3.117 -1.358 2.005 3 2HB ASP 1 2HB ASP 1 -3.134 -3.500 2.764 4 H LYS 2 H LYS 2 -3.471 0.050 0.118 5 HA LYS 2 HA LYS 2 -3.673 -1.144 -2.295 6 2HB LYS 2 2HB LYS 2 -6.193 -0.019 -2.657 7 2HG LYS 2 2HG LYS 2 -5.081 -2.818 -2.389 8 2HD LYS 2 2HD LYS 2 -7.470 -3.435 -3.378 9 2HE LYS 2 2HE LYS 2 -7.274 -2.897 -0.386 10 1HZ LYS 2 1HZ LYS 2 -8.205 -5.389 -1.396 11 2HZ LYS 2 2HZ LYS 2 -8.877 -4.403 -0.281 12 3HZ LYS 2 3HZ LYS 2 -9.131 -4.131 -1.871 13 H ASN 3 H ASN 3 -1.920 0.458 -2.214 14 HA ASN 3 HA ASN 3 -1.071 2.311 -2.978 15 2HB ASN 3 2HB ASN 3 -3.771 2.452 -4.037 16 1HD2 ASN 3 1HD2 ASN 3 -2.070 5.244 -4.783 17 2HD2 ASN 3 2HD2 ASN 3 -3.031 6.423 -3.954 18 H GLY 4 H GLY 4 -3.685 2.260 -0.630 19 1HA GLY 4 1HA GLY 4 -3.757 4.828 0.367 20 2HA GLY 4 2HA GLY 4 -4.016 3.366 1.299 21 H ASP 5 H ASP 5 -1.160 2.432 0.512 22 HA ASP 5 HA ASP 5 0.183 4.151 2.447 23 2HB ASP 5 2HB ASP 5 0.721 1.217 1.788 24 H GLY 6 H GLY 6 0.963 1.669 -0.121 25 1HA GLY 6 1HA GLY 6 2.837 3.609 -1.325 26 2HA GLY 6 2HA GLY 6 3.318 1.957 -0.994 27 H GLU 7 H GLU 7 1.012 0.488 -1.676 28 HA GLU 7 HA GLU 7 0.130 1.347 -4.241 29 2HB GLU 7 2HB GLU 7 1.008 -0.706 -5.427 30 2HG GLU 7 2HG GLU 7 3.334 0.133 -5.671 31 H VAL 8 H VAL 8 -0.316 -0.078 -1.304 32 HA VAL 8 HA VAL 8 -2.794 -1.255 -2.134 33 HB VAL 8 HB VAL 8 -1.083 -3.115 -0.566 34 1HG1 VAL 8 1HG1 VAL 8 -3.399 -3.691 -0.912 35 2HG1 VAL 8 2HG1 VAL 8 -3.247 -3.442 -2.668 36 3HG1 VAL 8 3HG1 VAL 8 -2.391 -4.791 -1.883 37 1HG2 VAL 8 1HG2 VAL 8 0.191 -3.922 -2.306 38 2HG2 VAL 8 2HG2 VAL 8 -0.922 -3.311 -3.553 39 3HG2 VAL 8 3HG2 VAL 8 0.166 -2.187 -2.705 40 H SER 9 H SER 9 -2.296 1.053 -0.678 41 HA SER 9 HA SER 9 -2.493 2.033 1.272 42 2HB SER 9 2HB SER 9 -4.506 1.274 2.600 43 HG SER 9 HG SER 9 -5.890 1.098 0.436 44 H PHE 10 H PHE 10 -0.362 0.051 1.242 45 HA PHE 10 HA PHE 10 1.018 -0.193 3.158 46 2HB PHE 10 2HB PHE 10 -1.345 0.077 4.476 47 HD1 PHE 10 1HD PHE 10 -3.333 -1.019 4.807 48 HD2 PHE 10 2HD PHE 10 0.225 -3.320 4.571 49 HE1 PHE 10 1HE PHE 10 -4.663 -3.114 5.185 50 HE2 PHE 10 2HE PHE 10 -1.105 -5.415 4.950 51 HZ PHE 10 HZ PHE 10 -3.533 -5.287 5.252 52 H GLU 11 H GLU 11 -1.516 -2.401 1.909 53 HA GLU 11 HA GLU 11 -0.255 -4.771 2.507 54 2HB GLU 11 2HB GLU 11 -2.305 -3.871 0.507 55 2HG GLU 11 2HG GLU 11 -0.892 -5.448 -0.807 56 H GLU 12 H GLU 12 1.032 -2.272 0.746 57 HA GLU 12 HA GLU 12 2.422 -4.087 -1.061 58 2HB GLU 12 2HB GLU 12 1.352 -1.381 -1.361 59 2HG GLU 12 2HG GLU 12 3.722 -0.713 -0.985 Start of MODEL 10 1 1H ASP 1 H ASP 1 -5.708 -1.680 3.069 2 HA ASP 1 HA ASP 1 -3.120 -1.356 2.001 3 2HB ASP 1 2HB ASP 1 -3.136 -3.498 2.761 4 H LYS 2 H LYS 2 -3.472 0.051 0.114 5 HA LYS 2 HA LYS 2 -3.672 -1.145 -2.298 6 2HB LYS 2 2HB LYS 2 -6.193 -0.020 -2.662 7 2HG LYS 2 2HG LYS 2 -5.078 -2.820 -2.396 8 2HD LYS 2 2HD LYS 2 -7.470 -3.434 -3.385 9 2HE LYS 2 2HE LYS 2 -7.273 -2.914 -0.390 10 1HZ LYS 2 1HZ LYS 2 -8.490 -4.942 -0.328 11 2HZ LYS 2 2HZ LYS 2 -9.279 -3.910 -1.319 12 3HZ LYS 2 3HZ LYS 2 -8.400 -5.136 -1.947 13 H ASN 3 H ASN 3 -1.919 0.460 -2.206 14 HA ASN 3 HA ASN 3 -1.072 2.312 -2.977 15 2HB ASN 3 2HB ASN 3 -3.756 2.439 -4.053 16 1HD2 ASN 3 1HD2 ASN 3 -2.211 5.270 -4.837 17 2HD2 ASN 3 2HD2 ASN 3 -3.170 6.416 -3.964 18 H GLY 4 H GLY 4 -3.687 2.264 -0.629 19 1HA GLY 4 1HA GLY 4 -3.755 4.829 0.371 20 2HA GLY 4 2HA GLY 4 -4.014 3.367 1.302 21 H ASP 5 H ASP 5 -1.159 2.431 0.514 22 HA ASP 5 HA ASP 5 0.186 4.147 2.449 23 2HB ASP 5 2HB ASP 5 0.719 1.213 1.785 24 H GLY 6 H GLY 6 0.960 1.671 -0.127 25 1HA GLY 6 1HA GLY 6 2.833 3.614 -1.330 26 2HA GLY 6 2HA GLY 6 3.317 1.963 -0.999 27 H GLU 7 H GLU 7 1.011 0.490 -1.677 28 HA GLU 7 HA GLU 7 0.125 1.345 -4.242 29 2HB GLU 7 2HB GLU 7 1.006 -0.714 -5.422 30 2HG GLU 7 2HG GLU 7 3.317 0.142 -5.696 31 H VAL 8 H VAL 8 -0.317 -0.077 -1.304 32 HA VAL 8 HA VAL 8 -2.792 -1.259 -2.132 33 HB VAL 8 HB VAL 8 -1.080 -3.115 -0.561 34 1HG1 VAL 8 1HG1 VAL 8 -3.238 -3.446 -2.670 35 2HG1 VAL 8 2HG1 VAL 8 -2.381 -4.794 -1.883 36 3HG1 VAL 8 3HG1 VAL 8 -3.395 -3.696 -0.915 37 1HG2 VAL 8 1HG2 VAL 8 0.162 -2.180 -2.708 38 2HG2 VAL 8 2HG2 VAL 8 0.210 -3.909 -2.289 39 3HG2 VAL 8 3HG2 VAL 8 -0.910 -3.328 -3.544 40 H SER 9 H SER 9 -2.297 1.051 -0.678 41 HA SER 9 HA SER 9 -2.494 2.031 1.272 42 2HB SER 9 2HB SER 9 -4.506 1.265 2.603 43 HG SER 9 HG SER 9 -6.019 1.485 0.819 44 H PHE 10 H PHE 10 -0.363 0.049 1.242 45 HA PHE 10 HA PHE 10 1.017 -0.192 3.159 46 2HB PHE 10 2HB PHE 10 -1.348 0.076 4.477 47 HD1 PHE 10 1HD PHE 10 0.224 -3.320 4.572 48 HD2 PHE 10 2HD PHE 10 -3.335 -1.022 4.808 49 HE1 PHE 10 1HE PHE 10 -1.103 -5.415 4.951 50 HE2 PHE 10 2HE PHE 10 -4.663 -3.117 5.186 51 HZ PHE 10 HZ PHE 10 -3.531 -5.289 5.253 52 H GLU 11 H GLU 11 -1.515 -2.402 1.908 53 HA GLU 11 HA GLU 11 -0.252 -4.771 2.508 54 2HB GLU 11 2HB GLU 11 -2.305 -3.875 0.509 55 2HG GLU 11 2HG GLU 11 -0.892 -5.453 -0.804 56 H GLU 12 H GLU 12 1.036 -2.273 0.751 57 HA GLU 12 HA GLU 12 2.422 -4.087 -1.060 58 2HB GLU 12 2HB GLU 12 1.349 -1.383 -1.360 59 2HG GLU 12 2HG GLU 12 3.721 -0.715 -0.973 Start of MODEL 11 1 1H ASP 1 H ASP 1 -5.285 -2.588 0.859 2 HA ASP 1 HA ASP 1 -3.048 -1.689 2.478 3 2HB ASP 1 2HB ASP 1 -2.737 -4.435 1.812 4 H LYS 2 H LYS 2 -1.936 -0.485 0.778 5 HA LYS 2 HA LYS 2 0.024 -1.542 -0.586 6 2HB LYS 2 2HB LYS 2 -1.483 -1.623 -2.967 7 2HG LYS 2 2HG LYS 2 -0.255 -3.796 -1.208 8 2HD LYS 2 2HD LYS 2 -0.292 -5.235 -3.182 9 2HE LYS 2 2HE LYS 2 -2.907 -3.988 -2.322 10 1HZ LYS 2 1HZ LYS 2 -2.689 -6.132 -4.316 11 2HZ LYS 2 2HZ LYS 2 -4.061 -5.461 -3.735 12 3HZ LYS 2 3HZ LYS 2 -3.067 -4.588 -4.691 13 H ASN 3 H ASN 3 -2.895 0.307 -1.733 14 HA ASN 3 HA ASN 3 -1.201 2.313 -2.800 15 2HB ASN 3 2HB ASN 3 -4.227 2.103 -2.398 16 1HD2 ASN 3 1HD2 ASN 3 -2.064 3.710 -4.702 17 2HD2 ASN 3 2HD2 ASN 3 -2.713 5.308 -4.546 18 H GLY 4 H GLY 4 -4.064 2.672 -0.580 19 1HA GLY 4 1HA GLY 4 -3.796 4.979 0.578 20 2HA GLY 4 2HA GLY 4 -4.103 3.556 1.554 21 H ASP 5 H ASP 5 -1.360 2.398 0.869 22 HA ASP 5 HA ASP 5 0.140 4.180 2.622 23 2HB ASP 5 2HB ASP 5 0.524 1.175 2.260 24 H GLY 6 H GLY 6 0.169 1.889 -0.169 25 1HA GLY 6 1HA GLY 6 1.881 3.317 -1.779 26 2HA GLY 6 2HA GLY 6 2.919 2.275 -0.828 27 H GLU 7 H GLU 7 -0.195 2.120 -2.702 28 HA GLU 7 HA GLU 7 0.289 0.599 -4.673 29 2HB GLU 7 2HB GLU 7 -0.036 -1.869 -3.683 30 2HG GLU 7 2HG GLU 7 2.677 -1.641 -3.268 31 H VAL 8 H VAL 8 -1.546 -0.220 -1.633 32 HA VAL 8 HA VAL 8 -4.003 0.211 -3.170 33 HB VAL 8 HB VAL 8 -3.184 -2.184 -1.554 34 1HG1 VAL 8 1HG1 VAL 8 -6.066 -1.599 -2.270 35 2HG1 VAL 8 2HG1 VAL 8 -5.419 -2.878 -1.214 36 3HG1 VAL 8 3HG1 VAL 8 -5.371 -1.180 -0.685 37 1HG2 VAL 8 1HG2 VAL 8 -4.230 -1.650 -4.322 38 2HG2 VAL 8 2HG2 VAL 8 -2.849 -2.643 -3.799 39 3HG2 VAL 8 3HG2 VAL 8 -4.511 -3.236 -3.562 40 H SER 9 H SER 9 -2.489 -0.273 0.089 41 HA SER 9 HA SER 9 -3.303 2.120 1.083 42 2HB SER 9 2HB SER 9 -5.169 0.117 2.317 43 HG SER 9 HG SER 9 -6.065 1.919 3.049 44 H PHE 10 H PHE 10 -1.141 0.124 1.100 45 HA PHE 10 HA PHE 10 -0.143 0.385 3.581 46 2HB PHE 10 2HB PHE 10 -2.196 -1.797 3.309 47 HD1 PHE 10 1HD PHE 10 -1.133 -3.867 2.715 48 HD2 PHE 10 2HD PHE 10 0.242 -1.637 6.053 49 HE1 PHE 10 1HE PHE 10 0.210 -5.844 3.484 50 HE2 PHE 10 2HE PHE 10 1.585 -3.614 6.821 51 HZ PHE 10 HZ PHE 10 1.553 -5.694 5.527 52 H GLU 11 H GLU 11 0.199 -0.234 0.541 53 HA GLU 11 HA GLU 11 1.593 -1.260 -0.782 54 2HB GLU 11 2HB GLU 11 3.964 -1.567 0.154 55 2HG GLU 11 2HG GLU 11 2.440 1.048 0.523 56 H GLU 12 H GLU 12 -0.295 -3.012 0.515 57 HA GLU 12 HA GLU 12 0.196 -5.132 1.775 58 2HB GLU 12 2HB GLU 12 -1.284 -4.649 -0.666 59 2HG GLU 12 2HG GLU 12 0.251 -6.439 -1.585
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