NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623109 | 6b35 | 30347 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 DPN 1 H1 DPN 1 3.499 4.976 4.148 2 HA DPN 1 HA DPN 1 4.806 6.169 5.590 3 HB2 DPN 1 HB2 DPN 1 6.719 4.041 6.199 4 HB3 DPN 1 HB3 DPN 1 6.491 4.577 4.509 5 HD1 DPN 1 HD1 DPN 1 7.143 6.750 3.745 6 HD2 DPN 1 HD2 DPN 1 7.481 5.726 7.912 7 HE1 DPN 1 HE1 DPN 1 8.487 8.810 4.133 8 HE2 DPN 1 HE2 DPN 1 8.826 7.788 8.311 9 HZ DPN 1 HZ DPN 1 9.325 9.340 6.420 10 H3 BE2 2 H3 BE2 2 3.190 5.002 9.667 11 HN21 BE2 2 HN21 BE2 2 3.306 3.204 6.388 12 H4 BE2 2 H4 BE2 2 1.955 4.198 11.610 13 H5 BE2 2 H5 BE2 2 0.751 2.037 11.533 14 H6 BE2 2 H6 BE2 2 0.787 0.663 9.508 15 H PHE 3 H PHE 3 0.784 -0.178 7.964 16 HA PHE 3 HA PHE 3 2.309 -0.970 5.585 17 HB2 PHE 3 HB2 PHE 3 1.013 -3.083 5.753 18 HB3 PHE 3 HB3 PHE 3 1.881 -2.683 7.239 19 HD1 PHE 3 HD1 PHE 3 0.718 -2.211 9.302 20 HD2 PHE 3 HD2 PHE 3 -1.483 -2.854 5.656 21 HE1 PHE 3 HE1 PHE 3 -1.391 -2.400 10.613 22 HE2 PHE 3 HE2 PHE 3 -3.593 -3.050 6.959 23 HZ PHE 3 HZ PHE 3 -3.554 -2.811 9.442 24 H DPN 4 H DPN 4 1.571 -1.253 3.625 25 HA DPN 4 HA DPN 4 0.634 -0.499 1.731 26 HB2 DPN 4 HB2 DPN 4 -0.628 1.367 3.518 27 HB3 DPN 4 HB3 DPN 4 -0.143 1.526 1.842 28 HD1 DPN 4 HD1 DPN 4 -2.963 0.432 4.021 29 HD2 DPN 4 HD2 DPN 4 -1.683 1.494 0.052 30 HE1 DPN 4 HE1 DPN 4 -5.339 0.497 3.278 31 HE2 DPN 4 HE2 DPN 4 -4.062 1.580 -0.698 32 HZ DPN 4 HZ DPN 4 -5.893 1.070 0.915 33 H ASN 5 H ASN 5 -0.280 -1.692 0.333 34 HA ASN 5 HA ASN 5 -2.479 -3.493 1.253 35 HB2 ASN 5 HB2 ASN 5 -3.523 -3.245 -0.975 36 HB3 ASN 5 HB3 ASN 5 -3.416 -1.701 -0.129 37 HD21 ASN 5 HD21 ASN 5 -1.848 -0.158 -2.784 38 HD22 ASN 5 HD22 ASN 5 -2.894 -0.079 -1.385 39 H LYS 6 H LYS 6 -2.610 -4.950 -1.181 40 HA LYS 6 HA LYS 6 -0.649 -6.914 -0.662 41 HB2 LYS 6 HB2 LYS 6 -2.891 -7.215 -1.744 42 HB3 LYS 6 HB3 LYS 6 -2.238 -6.502 -3.224 43 HG2 LYS 6 HG2 LYS 6 -0.577 -8.347 -3.365 44 HG3 LYS 6 HG3 LYS 6 -1.266 -9.075 -1.906 45 HD2 LYS 6 HD2 LYS 6 -2.864 -8.547 -4.442 46 HD3 LYS 6 HD3 LYS 6 -2.023 -10.070 -4.115 47 HE2 LYS 6 HE2 LYS 6 -3.355 -10.319 -2.009 48 HE3 LYS 6 HE3 LYS 6 -4.265 -8.858 -2.449 49 HZ1 LYS 6 HZ1 LYS 6 -5.405 -10.891 -3.140 50 HZ2 LYS 6 HZ2 LYS 6 -4.127 -11.328 -4.089 51 HZ3 LYS 6 HZ3 LYS 6 -5.003 -9.980 -4.456 52 H TYR 7 H TYR 7 -0.491 -4.183 -2.925 53 HA TYR 7 HA TYR 7 2.078 -5.328 -3.958 54 HB2 TYR 7 HB2 TYR 7 0.252 -3.329 -5.318 55 HB3 TYR 7 HB3 TYR 7 1.665 -4.133 -6.012 56 HD1 TYR 7 HD1 TYR 7 1.426 -6.929 -5.588 57 HD2 TYR 7 HD2 TYR 7 -1.771 -4.102 -6.178 58 HE1 TYR 7 HE1 TYR 7 -0.053 -8.761 -6.417 59 HE2 TYR 7 HE2 TYR 7 -3.236 -5.941 -7.011 60 HH TYR 7 HH TYR 7 -3.346 -8.147 -7.628 61 H VAL 8 H VAL 8 0.503 -2.360 -2.760 62 HA VAL 8 HA VAL 8 3.123 -0.955 -3.009 63 HB VAL 8 HB VAL 8 0.269 -0.144 -3.310 64 HG11 VAL 8 HG11 VAL 8 0.684 1.031 -1.243 65 HG12 VAL 8 HG12 VAL 8 0.637 2.179 -2.594 66 HG13 VAL 8 HG13 VAL 8 2.202 1.714 -1.891 67 HG21 VAL 8 HG21 VAL 8 1.244 1.457 -4.880 68 HG22 VAL 8 HG22 VAL 8 1.908 -0.168 -5.157 69 HG23 VAL 8 HG23 VAL 8 2.882 1.057 -4.306 70 H ORN 9 H ORN 9 4.076 -0.028 -1.270 71 HA ORN 9 HA ORN 9 3.006 -0.702 1.445 72 HB2 ORN 9 HB2 ORN 9 5.825 -1.040 0.314 73 HB3 ORN 9 HB3 ORN 9 5.476 -1.078 2.052 74 HG2 ORN 9 HG2 ORN 9 3.921 -3.000 1.714 75 HG3 ORN 9 HG3 ORN 9 4.247 -2.952 -0.039 76 HD2 ORN 9 HD2 ORN 9 6.551 -3.608 0.282 77 HD3 ORN 9 HD3 ORN 9 6.478 -3.288 2.028 78 HE1 ORN 9 HE1 ORN 9 4.887 -5.141 2.190 79 HE2 ORN 9 HE2 ORN 9 5.132 -5.497 0.595 80 HE3 ORN 9 3HE ORN 9 6.376 -5.611 1.666 81 H LEU 10 H LEU 10 3.625 0.859 3.143 82 HA LEU 10 HA LEU 10 4.005 3.522 2.016 83 HB2 LEU 10 HB2 LEU 10 1.614 2.319 2.859 84 HB3 LEU 10 HB3 LEU 10 1.973 3.527 4.045 85 HG LEU 10 HG LEU 10 0.421 4.372 2.409 86 HD11 LEU 10 HD11 LEU 10 1.556 6.408 1.655 87 HD12 LEU 10 HD12 LEU 10 3.141 5.672 1.977 88 HD13 LEU 10 HD13 LEU 10 2.011 6.005 3.319 89 HD21 LEU 10 HD21 LEU 10 2.516 3.935 0.245 90 HD22 LEU 10 HD22 LEU 10 0.878 4.593 0.054 91 HD23 LEU 10 HD23 LEU 10 1.099 2.895 0.513 Start of MODEL 2 1 H1 DPN 1 H1 DPN 1 3.377 5.219 4.019 2 HA DPN 1 HA DPN 1 4.682 6.370 5.497 3 HB2 DPN 1 HB2 DPN 1 6.273 3.990 6.250 4 HB3 DPN 1 HB3 DPN 1 6.315 4.713 4.616 5 HD1 DPN 1 HD1 DPN 1 7.178 6.977 4.248 6 HD2 DPN 1 HD2 DPN 1 7.109 5.261 8.194 7 HE1 DPN 1 HE1 DPN 1 8.675 8.795 5.055 8 HE2 DPN 1 HE2 DPN 1 8.616 7.070 9.012 9 HZ DPN 1 HZ DPN 1 9.401 8.844 7.441 10 H3 BE2 2 H3 BE2 2 2.747 5.342 9.563 11 HN21 BE2 2 HN21 BE2 2 3.051 3.430 6.350 12 H4 BE2 2 H4 BE2 2 1.379 4.608 11.442 13 H5 BE2 2 H5 BE2 2 0.104 2.490 11.323 14 H6 BE2 2 H6 BE2 2 0.194 1.093 9.315 15 H PHE 3 H PHE 3 0.327 0.173 7.821 16 HA PHE 3 HA PHE 3 1.819 -0.608 5.407 17 HB2 PHE 3 HB2 PHE 3 1.218 -2.296 7.141 18 HB3 PHE 3 HB3 PHE 3 -0.494 -1.986 6.827 19 HD1 PHE 3 HD1 PHE 3 2.595 -3.548 5.539 20 HD2 PHE 3 HD2 PHE 3 -1.563 -2.766 4.754 21 HE1 PHE 3 HE1 PHE 3 2.622 -5.236 3.694 22 HE2 PHE 3 HE2 PHE 3 -1.539 -4.433 2.912 23 HZ PHE 3 HZ PHE 3 0.557 -5.664 2.366 24 H DPN 4 H DPN 4 1.092 -0.531 3.426 25 HA DPN 4 HA DPN 4 0.120 0.457 1.658 26 HB2 DPN 4 HB2 DPN 4 -1.195 2.003 3.695 27 HB3 DPN 4 HB3 DPN 4 -0.779 2.404 2.041 28 HD1 DPN 4 HD1 DPN 4 -2.348 2.124 0.184 29 HD2 DPN 4 HD2 DPN 4 -3.486 1.246 4.242 30 HE1 DPN 4 HE1 DPN 4 -4.743 2.117 -0.497 31 HE2 DPN 4 HE2 DPN 4 -5.885 1.236 3.569 32 HZ DPN 4 HZ DPN 4 -6.520 1.667 1.195 33 H ASN 5 H ASN 5 -0.697 -0.709 0.154 34 HA ASN 5 HA ASN 5 -3.106 -2.376 0.824 35 HB2 ASN 5 HB2 ASN 5 -3.711 -2.320 -1.507 36 HB3 ASN 5 HB3 ASN 5 -3.481 -0.664 -0.956 37 HD21 ASN 5 HD21 ASN 5 -1.579 -1.759 -4.211 38 HD22 ASN 5 HD22 ASN 5 -3.069 -2.431 -3.602 39 H LYS 6 H LYS 6 -3.154 -4.299 -0.909 40 HA LYS 6 HA LYS 6 -1.394 -6.207 0.046 41 HB2 LYS 6 HB2 LYS 6 -3.534 -6.558 -1.210 42 HB3 LYS 6 HB3 LYS 6 -2.675 -6.190 -2.710 43 HG2 LYS 6 HG2 LYS 6 -1.184 -8.132 -2.315 44 HG3 LYS 6 HG3 LYS 6 -2.086 -8.515 -0.837 45 HD2 LYS 6 HD2 LYS 6 -4.132 -8.845 -2.164 46 HD3 LYS 6 HD3 LYS 6 -3.256 -8.386 -3.638 47 HE2 LYS 6 HE2 LYS 6 -1.668 -10.296 -3.214 48 HE3 LYS 6 HE3 LYS 6 -2.717 -10.808 -1.875 49 HZ1 LYS 6 HZ1 LYS 6 -4.526 -11.029 -3.505 50 HZ2 LYS 6 HZ2 LYS 6 -3.252 -12.003 -3.893 51 HZ3 LYS 6 HZ3 LYS 6 -3.503 -10.603 -4.731 52 H TYR 7 H TYR 7 -0.752 -4.103 -2.768 53 HA TYR 7 HA TYR 7 1.752 -5.661 -3.184 54 HB2 TYR 7 HB2 TYR 7 0.316 -3.839 -5.127 55 HB3 TYR 7 HB3 TYR 7 1.732 -4.841 -5.465 56 HD1 TYR 7 HD1 TYR 7 1.238 -7.472 -4.514 57 HD2 TYR 7 HD2 TYR 7 -1.641 -4.685 -6.101 58 HE1 TYR 7 HE1 TYR 7 -0.268 -9.364 -5.131 59 HE2 TYR 7 HE2 TYR 7 -3.135 -6.587 -6.713 60 HH TYR 7 HH TYR 7 -3.342 -8.863 -6.869 61 H VAL 8 H VAL 8 0.747 -2.626 -1.952 62 HA VAL 8 HA VAL 8 3.534 -1.682 -2.226 63 HB VAL 8 HB VAL 8 1.168 -0.446 -3.451 64 HG11 VAL 8 HG11 VAL 8 1.750 1.896 -2.911 65 HG12 VAL 8 HG12 VAL 8 2.888 1.323 -1.673 66 HG13 VAL 8 HG13 VAL 8 1.138 1.001 -1.511 67 HG21 VAL 8 HG21 VAL 8 4.138 0.187 -3.635 68 HG22 VAL 8 HG22 VAL 8 2.872 0.716 -4.767 69 HG23 VAL 8 HG23 VAL 8 3.267 -1.010 -4.625 70 H ORN 9 H ORN 9 4.387 -0.974 -0.489 71 HA ORN 9 HA ORN 9 2.827 -0.821 2.039 72 HB2 ORN 9 HB2 ORN 9 5.792 -1.163 1.365 73 HB3 ORN 9 HB3 ORN 9 5.244 -0.807 3.011 74 HG2 ORN 9 HG2 ORN 9 3.875 -2.867 3.047 75 HG3 ORN 9 HG3 ORN 9 4.334 -3.220 1.359 76 HD2 ORN 9 HD2 ORN 9 6.637 -3.602 1.968 77 HD3 ORN 9 HD3 ORN 9 6.422 -2.854 3.562 78 HE1 ORN 9 HE1 ORN 9 6.498 -5.200 3.791 79 HE2 ORN 9 HE2 ORN 9 4.961 -4.716 4.135 80 HE3 ORN 9 3HE ORN 9 5.300 -5.446 2.691 81 H LEU 10 H LEU 10 3.080 1.071 3.413 82 HA LEU 10 HA LEU 10 3.881 3.494 2.002 83 HB2 LEU 10 HB2 LEU 10 1.329 2.645 2.815 84 HB3 LEU 10 HB3 LEU 10 1.734 3.982 3.841 85 HG LEU 10 HG LEU 10 0.397 4.727 1.991 86 HD11 LEU 10 HD11 LEU 10 2.136 6.292 2.752 87 HD12 LEU 10 HD12 LEU 10 1.803 6.480 1.022 88 HD13 LEU 10 HD13 LEU 10 3.272 5.630 1.546 89 HD21 LEU 10 HD21 LEU 10 1.014 4.507 -0.337 90 HD22 LEU 10 HD22 LEU 10 0.979 2.893 0.402 91 HD23 LEU 10 HD23 LEU 10 2.535 3.693 0.084 Start of MODEL 3 1 H1 DPN 1 H1 DPN 1 2.888 4.879 3.906 2 HA DPN 1 HA DPN 1 3.962 5.985 5.583 3 HB2 DPN 1 HB2 DPN 1 5.809 3.778 6.225 4 HB3 DPN 1 HB3 DPN 1 5.825 4.605 4.643 5 HD1 DPN 1 HD1 DPN 1 6.525 4.955 8.242 6 HD2 DPN 1 HD2 DPN 1 6.256 7.039 4.486 7 HE1 DPN 1 HE1 DPN 1 7.732 6.896 9.237 8 HE2 DPN 1 HE2 DPN 1 7.458 8.986 5.472 9 HZ DPN 1 HZ DPN 1 8.194 8.922 7.852 10 H3 BE2 2 H3 BE2 2 2.296 4.341 9.569 11 HN21 BE2 2 HN21 BE2 2 2.910 2.682 6.255 12 H4 BE2 2 H4 BE2 2 0.950 3.370 11.345 13 H5 BE2 2 H5 BE2 2 -0.150 1.176 11.041 14 H6 BE2 2 H6 BE2 2 0.107 -0.063 8.952 15 H PHE 3 H PHE 3 0.099 -0.680 7.328 16 HA PHE 3 HA PHE 3 1.727 -1.417 4.993 17 HB2 PHE 3 HB2 PHE 3 -0.774 -2.708 6.161 18 HB3 PHE 3 HB3 PHE 3 0.266 -3.405 4.913 19 HD1 PHE 3 HD1 PHE 3 -0.266 -2.943 8.478 20 HD2 PHE 3 HD2 PHE 3 2.647 -4.060 5.512 21 HE1 PHE 3 HE1 PHE 3 1.115 -4.017 10.248 22 HE2 PHE 3 HE2 PHE 3 4.036 -5.143 7.279 23 HZ PHE 3 HZ PHE 3 3.272 -5.117 9.652 24 H DPN 4 H DPN 4 1.155 -1.131 2.971 25 HA DPN 4 HA DPN 4 0.323 -0.004 1.209 26 HB2 DPN 4 HB2 DPN 4 -1.022 1.465 3.233 27 HB3 DPN 4 HB3 DPN 4 -0.656 1.909 1.577 28 HD1 DPN 4 HD1 DPN 4 -2.293 1.617 -0.245 29 HD2 DPN 4 HD2 DPN 4 -3.290 0.767 3.854 30 HE1 DPN 4 HE1 DPN 4 -4.714 1.646 -0.831 31 HE2 DPN 4 HE2 DPN 4 -5.709 0.793 3.280 32 HZ DPN 4 HZ DPN 4 -6.429 1.230 0.933 33 H ASN 5 H ASN 5 -0.499 -0.929 -0.473 34 HA ASN 5 HA ASN 5 -2.937 -2.634 -0.057 35 HB2 ASN 5 HB2 ASN 5 -3.340 -2.436 -2.452 36 HB3 ASN 5 HB3 ASN 5 -3.218 -0.835 -1.730 37 HD21 ASN 5 HD21 ASN 5 -0.908 -1.662 -4.835 38 HD22 ASN 5 HD22 ASN 5 -2.352 -2.546 -4.408 39 H LYS 6 H LYS 6 -2.873 -4.462 -1.902 40 HA LYS 6 HA LYS 6 -1.140 -6.402 -0.897 41 HB2 LYS 6 HB2 LYS 6 -2.885 -6.142 -3.296 42 HB3 LYS 6 HB3 LYS 6 -1.618 -7.364 -3.395 43 HG2 LYS 6 HG2 LYS 6 -3.543 -8.479 -2.597 44 HG3 LYS 6 HG3 LYS 6 -2.447 -8.325 -1.216 45 HD2 LYS 6 HD2 LYS 6 -3.765 -6.352 -0.425 46 HD3 LYS 6 HD3 LYS 6 -4.882 -6.576 -1.785 47 HE2 LYS 6 HE2 LYS 6 -4.321 -8.599 0.425 48 HE3 LYS 6 HE3 LYS 6 -5.753 -7.559 0.320 49 HZ1 LYS 6 HZ1 LYS 6 -6.206 -9.778 -0.521 50 HZ2 LYS 6 HZ2 LYS 6 -5.010 -9.653 -1.650 51 HZ3 LYS 6 HZ3 LYS 6 -6.342 -8.684 -1.747 52 H TYR 7 H TYR 7 -0.355 -4.113 -3.461 53 HA TYR 7 HA TYR 7 2.128 -5.688 -3.948 54 HB2 TYR 7 HB2 TYR 7 0.801 -3.729 -5.832 55 HB3 TYR 7 HB3 TYR 7 2.122 -4.850 -6.191 56 HD1 TYR 7 HD1 TYR 7 -1.252 -4.356 -6.769 57 HD2 TYR 7 HD2 TYR 7 1.391 -7.449 -5.348 58 HE1 TYR 7 HE1 TYR 7 -2.932 -6.093 -7.396 59 HE2 TYR 7 HE2 TYR 7 -0.303 -9.171 -5.970 60 HH TYR 7 HH TYR 7 -3.394 -8.333 -7.531 61 H VAL 8 H VAL 8 1.059 -2.728 -2.602 62 HA VAL 8 HA VAL 8 3.827 -1.714 -2.766 63 HB VAL 8 HB VAL 8 1.461 -0.497 -4.016 64 HG11 VAL 8 HG11 VAL 8 1.951 1.834 -3.407 65 HG12 VAL 8 HG12 VAL 8 3.114 1.279 -2.185 66 HG13 VAL 8 HG13 VAL 8 1.380 0.893 -2.021 67 HG21 VAL 8 HG21 VAL 8 3.600 -0.986 -5.156 68 HG22 VAL 8 HG22 VAL 8 4.422 0.204 -4.117 69 HG23 VAL 8 HG23 VAL 8 3.167 0.734 -5.264 70 H ORN 9 H ORN 9 4.615 -1.074 -0.983 71 HA ORN 9 HA ORN 9 3.108 -1.053 1.554 72 HB2 ORN 9 HB2 ORN 9 6.027 -0.893 0.694 73 HB3 ORN 9 HB3 ORN 9 5.571 -0.363 2.319 74 HG2 ORN 9 HG2 ORN 9 4.574 -2.596 2.797 75 HG3 ORN 9 HG3 ORN 9 4.977 -3.131 1.152 76 HD2 ORN 9 HD2 ORN 9 6.690 -3.999 2.605 77 HD3 ORN 9 HD3 ORN 9 7.420 -2.677 1.675 78 HE1 ORN 9 HE1 ORN 9 6.417 -2.482 4.449 79 HE2 ORN 9 HE2 ORN 9 8.002 -2.550 3.999 80 HE3 ORN 9 3HE ORN 9 7.082 -1.242 3.589 81 H LEU 10 H LEU 10 3.015 0.847 2.932 82 HA LEU 10 HA LEU 10 3.845 3.376 1.743 83 HB2 LEU 10 HB2 LEU 10 1.337 2.756 1.590 84 HB3 LEU 10 HB3 LEU 10 1.286 3.159 3.290 85 HG LEU 10 HG LEU 10 1.330 5.410 2.879 86 HD11 LEU 10 HD11 LEU 10 2.882 4.956 0.289 87 HD12 LEU 10 HD12 LEU 10 3.526 5.634 1.807 88 HD13 LEU 10 HD13 LEU 10 2.313 6.535 0.881 89 HD21 LEU 10 HD21 LEU 10 -0.562 4.395 1.684 90 HD22 LEU 10 HD22 LEU 10 0.429 4.296 0.208 91 HD23 LEU 10 HD23 LEU 10 -0.012 5.880 0.884 Start of MODEL 4 1 H1 DPN 1 H1 DPN 1 3.180 4.910 3.752 2 HA DPN 1 HA DPN 1 4.424 6.246 5.120 3 HB2 DPN 1 HB2 DPN 1 6.459 4.174 5.659 4 HB3 DPN 1 HB3 DPN 1 6.203 4.888 4.043 5 HD1 DPN 1 HD1 DPN 1 6.486 7.332 3.678 6 HD2 DPN 1 HD2 DPN 1 7.406 5.513 7.468 7 HE1 DPN 1 HE1 DPN 1 7.718 9.388 4.358 8 HE2 DPN 1 HE2 DPN 1 8.648 7.561 8.154 9 HZ DPN 1 HZ DPN 1 8.802 9.507 6.601 10 H3 BE2 2 H3 BE2 2 3.105 5.022 9.349 11 HN21 BE2 2 HN21 BE2 2 3.244 3.173 6.089 12 H4 BE2 2 H4 BE2 2 2.015 4.145 11.347 13 H5 BE2 2 H5 BE2 2 0.971 1.901 11.332 14 H6 BE2 2 H6 BE2 2 1.016 0.520 9.312 15 H PHE 3 H PHE 3 0.974 -0.322 7.751 16 HA PHE 3 HA PHE 3 2.429 -0.967 5.281 17 HB2 PHE 3 HB2 PHE 3 1.299 -3.160 5.437 18 HB3 PHE 3 HB3 PHE 3 2.168 -2.750 6.919 19 HD1 PHE 3 HD1 PHE 3 -1.196 -3.140 5.390 20 HD2 PHE 3 HD2 PHE 3 1.003 -2.382 9.016 21 HE1 PHE 3 HE1 PHE 3 -3.262 -3.522 6.718 22 HE2 PHE 3 HE2 PHE 3 -1.065 -2.757 10.352 23 HZ PHE 3 HZ PHE 3 -3.206 -3.318 9.202 24 H DPN 4 H DPN 4 1.621 -1.111 3.352 25 HA DPN 4 HA DPN 4 0.511 -0.346 1.555 26 HB2 DPN 4 HB2 DPN 4 -0.859 1.268 3.511 27 HB3 DPN 4 HB3 DPN 4 -0.526 1.556 1.814 28 HD1 DPN 4 HD1 DPN 4 -2.129 1.124 0.063 29 HD2 DPN 4 HD2 DPN 4 -3.058 0.284 4.181 30 HE1 DPN 4 HE1 DPN 4 -4.544 0.927 -0.527 31 HE2 DPN 4 HE2 DPN 4 -5.469 0.069 3.599 32 HZ DPN 4 HZ DPN 4 -6.219 0.395 1.241 33 H ASN 5 H ASN 5 -0.135 -1.762 0.269 34 HA ASN 5 HA ASN 5 -2.122 -3.798 1.183 35 HB2 ASN 5 HB2 ASN 5 -3.206 -3.682 -1.038 36 HB3 ASN 5 HB3 ASN 5 -3.334 -2.160 -0.152 37 HD21 ASN 5 HD21 ASN 5 -2.209 -0.429 -2.920 38 HD22 ASN 5 HD22 ASN 5 -3.352 -0.602 -1.609 39 H LYS 6 H LYS 6 -2.161 -5.532 -0.802 40 HA LYS 6 HA LYS 6 0.388 -6.798 -0.569 41 HB2 LYS 6 HB2 LYS 6 -0.568 -8.591 -1.835 42 HB3 LYS 6 HB3 LYS 6 -1.772 -7.980 -0.698 43 HG2 LYS 6 HG2 LYS 6 -2.891 -6.752 -2.537 44 HG3 LYS 6 HG3 LYS 6 -1.672 -7.363 -3.677 45 HD2 LYS 6 HD2 LYS 6 -2.339 -9.693 -3.097 46 HD3 LYS 6 HD3 LYS 6 -3.617 -9.041 -2.046 47 HE2 LYS 6 HE2 LYS 6 -4.629 -7.902 -3.999 48 HE3 LYS 6 HE3 LYS 6 -3.351 -8.561 -5.039 49 HZ1 LYS 6 HZ1 LYS 6 -4.141 -10.783 -4.502 50 HZ2 LYS 6 HZ2 LYS 6 -5.361 -9.887 -5.157 51 HZ3 LYS 6 HZ3 LYS 6 -5.329 -10.176 -3.533 52 H TYR 7 H TYR 7 -0.223 -4.278 -2.641 53 HA TYR 7 HA TYR 7 1.632 -5.394 -4.712 54 HB2 TYR 7 HB2 TYR 7 -0.157 -2.939 -4.878 55 HB3 TYR 7 HB3 TYR 7 0.831 -3.617 -6.173 56 HD1 TYR 7 HD1 TYR 7 0.200 -5.865 -7.172 57 HD2 TYR 7 HD2 TYR 7 -2.361 -3.790 -4.402 58 HE1 TYR 7 HE1 TYR 7 -1.736 -7.250 -7.916 59 HE2 TYR 7 HE2 TYR 7 -4.294 -5.181 -5.157 60 HH TYR 7 HH TYR 7 -4.006 -7.552 -7.801 61 H VAL 8 H VAL 8 0.888 -2.583 -2.640 62 HA VAL 8 HA VAL 8 3.747 -1.943 -2.616 63 HB VAL 8 HB VAL 8 2.412 -0.571 -4.305 64 HG11 VAL 8 HG11 VAL 8 0.743 -0.012 -2.641 65 HG12 VAL 8 HG12 VAL 8 1.488 1.402 -3.422 66 HG13 VAL 8 HG13 VAL 8 1.975 0.922 -1.779 67 HG21 VAL 8 HG21 VAL 8 3.965 1.302 -3.975 68 HG22 VAL 8 HG22 VAL 8 4.800 -0.246 -3.737 69 HG23 VAL 8 HG23 VAL 8 4.336 0.743 -2.330 70 H ORN 9 H ORN 9 4.666 -1.277 -0.867 71 HA ORN 9 HA ORN 9 3.199 -1.170 1.703 72 HB2 ORN 9 HB2 ORN 9 6.096 -1.294 0.795 73 HB3 ORN 9 HB3 ORN 9 5.749 -0.649 2.403 74 HG2 ORN 9 HG2 ORN 9 4.577 -2.741 3.039 75 HG3 ORN 9 HG3 ORN 9 4.798 -3.383 1.398 76 HD2 ORN 9 HD2 ORN 9 6.496 -4.398 2.763 77 HD3 ORN 9 HD3 ORN 9 7.312 -3.198 1.740 78 HE1 ORN 9 HE1 ORN 9 8.059 -3.076 4.014 79 HE2 ORN 9 HE2 ORN 9 7.274 -1.680 3.619 80 HE3 ORN 9 3HE ORN 9 6.527 -2.809 4.563 81 H LEU 10 H LEU 10 3.318 0.765 3.076 82 HA LEU 10 HA LEU 10 3.785 3.272 1.658 83 HB2 LEU 10 HB2 LEU 10 1.363 2.231 2.465 84 HB3 LEU 10 HB3 LEU 10 1.730 3.481 3.644 85 HG LEU 10 HG LEU 10 2.365 4.925 1.559 86 HD11 LEU 10 HD11 LEU 10 2.288 3.128 -0.137 87 HD12 LEU 10 HD12 LEU 10 1.079 4.375 -0.488 88 HD13 LEU 10 HD13 LEU 10 0.573 2.834 0.238 89 HD21 LEU 10 HD21 LEU 10 0.523 5.328 3.033 90 HD22 LEU 10 HD22 LEU 10 -0.474 4.144 2.158 91 HD23 LEU 10 HD23 LEU 10 0.060 5.636 1.349 Start of MODEL 5 1 H1 DPN 1 H1 DPN 1 3.453 4.681 3.761 2 HA DPN 1 HA DPN 1 4.872 5.725 5.211 3 HB2 DPN 1 HB2 DPN 1 6.368 3.290 5.922 4 HB3 DPN 1 HB3 DPN 1 6.360 3.946 4.259 5 HD1 DPN 1 HD1 DPN 1 7.318 4.652 7.782 6 HD2 DPN 1 HD2 DPN 1 7.352 6.105 3.730 7 HE1 DPN 1 HE1 DPN 1 8.925 6.439 8.441 8 HE2 DPN 1 HE2 DPN 1 8.958 7.897 4.380 9 HZ DPN 1 HZ DPN 1 9.741 8.072 6.740 10 H3 BE2 2 H3 BE2 2 2.734 5.039 9.121 11 HN21 BE2 2 HN21 BE2 2 2.890 3.072 5.967 12 H4 BE2 2 H4 BE2 2 1.249 4.502 10.984 13 H5 BE2 2 H5 BE2 2 -0.179 2.482 10.914 14 H6 BE2 2 H6 BE2 2 -0.124 0.984 8.981 15 H PHE 3 H PHE 3 -0.054 0.038 7.515 16 HA PHE 3 HA PHE 3 1.495 -1.074 5.278 17 HB2 PHE 3 HB2 PHE 3 -0.977 -2.079 6.734 18 HB3 PHE 3 HB3 PHE 3 -0.120 -2.963 5.462 19 HD1 PHE 3 HD1 PHE 3 2.158 -3.859 5.854 20 HD2 PHE 3 HD2 PHE 3 -0.091 -1.955 8.991 21 HE1 PHE 3 HE1 PHE 3 3.712 -4.824 7.548 22 HE2 PHE 3 HE2 PHE 3 1.457 -2.911 10.691 23 HZ PHE 3 HZ PHE 3 3.365 -4.345 9.973 24 H DPN 4 H DPN 4 0.947 -1.132 3.276 25 HA DPN 4 HA DPN 4 0.191 -0.299 1.330 26 HB2 DPN 4 HB2 DPN 4 -1.142 1.557 3.045 27 HB3 DPN 4 HB3 DPN 4 -0.636 1.711 1.371 28 HD1 DPN 4 HD1 DPN 4 -3.497 0.888 3.566 29 HD2 DPN 4 HD2 DPN 4 -2.154 1.423 -0.486 30 HE1 DPN 4 HE1 DPN 4 -5.863 0.955 2.798 31 HE2 DPN 4 HE2 DPN 4 -4.524 1.504 -1.264 32 HZ DPN 4 HZ DPN 4 -6.383 1.269 0.381 33 H ASN 5 H ASN 5 -0.528 -1.562 -0.095 34 HA ASN 5 HA ASN 5 -2.845 -3.333 0.559 35 HB2 ASN 5 HB2 ASN 5 -3.610 -3.086 -1.785 36 HB3 ASN 5 HB3 ASN 5 -3.632 -1.552 -0.912 37 HD21 ASN 5 HD21 ASN 5 -1.868 0.002 -3.436 38 HD22 ASN 5 HD22 ASN 5 -3.160 0.023 -2.257 39 H LYS 6 H LYS 6 -2.796 -4.921 -1.687 40 HA LYS 6 HA LYS 6 -0.665 -6.697 -1.014 41 HB2 LYS 6 HB2 LYS 6 -2.565 -6.698 -3.383 42 HB3 LYS 6 HB3 LYS 6 -1.492 -8.028 -2.941 43 HG2 LYS 6 HG2 LYS 6 -2.654 -8.146 -0.705 44 HG3 LYS 6 HG3 LYS 6 -3.807 -6.940 -1.305 45 HD2 LYS 6 HD2 LYS 6 -4.843 -9.063 -1.632 46 HD3 LYS 6 HD3 LYS 6 -4.300 -8.535 -3.237 47 HE2 LYS 6 HE2 LYS 6 -2.281 -9.981 -3.019 48 HE3 LYS 6 HE3 LYS 6 -2.823 -10.491 -1.409 49 HZ1 LYS 6 HZ1 LYS 6 -4.787 -11.462 -2.451 50 HZ2 LYS 6 HZ2 LYS 6 -3.413 -12.110 -3.098 51 HZ3 LYS 6 HZ3 LYS 6 -4.277 -10.989 -3.947 52 H TYR 7 H TYR 7 -0.448 -4.019 -3.123 53 HA TYR 7 HA TYR 7 1.750 -5.384 -4.634 54 HB2 TYR 7 HB2 TYR 7 0.133 -2.922 -5.374 55 HB3 TYR 7 HB3 TYR 7 1.433 -3.639 -6.334 56 HD1 TYR 7 HD1 TYR 7 -2.113 -3.699 -5.606 57 HD2 TYR 7 HD2 TYR 7 1.123 -6.063 -7.179 58 HE1 TYR 7 HE1 TYR 7 -3.755 -5.203 -6.742 59 HE2 TYR 7 HE2 TYR 7 -0.526 -7.559 -8.308 60 HH TYR 7 HH TYR 7 -4.039 -6.983 -8.160 61 H VAL 8 H VAL 8 0.837 -2.411 -2.858 62 HA VAL 8 HA VAL 8 3.738 -1.833 -2.577 63 HB VAL 8 HB VAL 8 1.503 -0.180 -3.666 64 HG11 VAL 8 HG11 VAL 8 3.536 1.021 -1.782 65 HG12 VAL 8 HG12 VAL 8 1.760 0.982 -1.609 66 HG13 VAL 8 HG13 VAL 8 2.505 1.939 -2.901 67 HG21 VAL 8 HG21 VAL 8 3.430 -0.921 -5.030 68 HG22 VAL 8 HG22 VAL 8 4.531 -0.015 -3.965 69 HG23 VAL 8 HG23 VAL 8 3.324 0.851 -4.945 70 H ORN 9 H ORN 9 4.352 -1.667 -0.559 71 HA ORN 9 HA ORN 9 2.442 -1.273 1.676 72 HB2 ORN 9 HB2 ORN 9 4.392 -2.936 1.824 73 HB3 ORN 9 HB3 ORN 9 5.487 -1.541 1.740 74 HG2 ORN 9 HG2 ORN 9 4.037 -0.651 3.800 75 HG3 ORN 9 HG3 ORN 9 3.572 -2.350 3.969 76 HD2 ORN 9 HD2 ORN 9 5.735 -3.010 4.566 77 HD3 ORN 9 HD3 ORN 9 6.501 -1.673 3.677 78 HE1 ORN 9 HE1 ORN 9 6.651 -1.285 6.011 79 HE2 ORN 9 HE2 ORN 9 5.636 -0.158 5.351 80 HE3 ORN 9 3HE ORN 9 5.019 -1.425 6.214 81 H LEU 10 H LEU 10 2.415 0.660 2.872 82 HA LEU 10 HA LEU 10 3.719 2.989 1.705 83 HB2 LEU 10 HB2 LEU 10 1.109 2.472 2.456 84 HB3 LEU 10 HB3 LEU 10 1.719 3.600 3.659 85 HG LEU 10 HG LEU 10 2.671 4.936 1.664 86 HD11 LEU 10 HD11 LEU 10 1.466 4.659 -0.486 87 HD12 LEU 10 HD12 LEU 10 0.657 3.209 0.148 88 HD13 LEU 10 HD13 LEU 10 2.420 3.216 -0.097 89 HD21 LEU 10 HD21 LEU 10 0.542 6.026 1.313 90 HD22 LEU 10 HD22 LEU 10 0.815 5.610 3.013 91 HD23 LEU 10 HD23 LEU 10 -0.294 4.628 2.029 Start of MODEL 6 1 H1 DPN 1 H1 DPN 1 3.383 4.673 3.852 2 HA DPN 1 HA DPN 1 4.814 5.631 5.349 3 HB2 DPN 1 HB2 DPN 1 6.242 3.092 5.882 4 HB3 DPN 1 HB3 DPN 1 6.301 3.948 4.315 5 HD1 DPN 1 HD1 DPN 1 7.274 4.065 7.878 6 HD2 DPN 1 HD2 DPN 1 7.258 6.229 4.158 7 HE1 DPN 1 HE1 DPN 1 8.924 5.681 8.816 8 HE2 DPN 1 HE2 DPN 1 8.906 7.850 5.086 9 HZ DPN 1 HZ DPN 1 9.742 7.579 7.420 10 H3 BE2 2 H3 BE2 2 2.648 4.858 9.204 11 HN21 BE2 2 HN21 BE2 2 2.822 2.922 6.035 12 H4 BE2 2 H4 BE2 2 1.199 4.270 11.079 13 H5 BE2 2 H5 BE2 2 -0.155 2.199 11.023 14 H6 BE2 2 H6 BE2 2 -0.068 0.706 9.088 15 H PHE 3 H PHE 3 -0.028 -0.192 7.603 16 HA PHE 3 HA PHE 3 1.512 -1.288 5.352 17 HB2 PHE 3 HB2 PHE 3 -0.983 -2.308 6.765 18 HB3 PHE 3 HB3 PHE 3 -0.063 -3.191 5.540 19 HD1 PHE 3 HD1 PHE 3 2.299 -3.923 6.038 20 HD2 PHE 3 HD2 PHE 3 -0.286 -2.277 9.060 21 HE1 PHE 3 HE1 PHE 3 3.790 -4.846 7.810 22 HE2 PHE 3 HE2 PHE 3 1.197 -3.193 10.838 23 HZ PHE 3 HZ PHE 3 3.242 -4.477 10.215 24 H DPN 4 H DPN 4 1.011 -1.148 3.350 25 HA DPN 4 HA DPN 4 0.230 -0.218 1.451 26 HB2 DPN 4 HB2 DPN 4 -1.316 1.381 3.281 27 HB3 DPN 4 HB3 DPN 4 -0.728 1.734 1.671 28 HD1 DPN 4 HD1 DPN 4 -2.116 1.710 -0.253 29 HD2 DPN 4 HD2 DPN 4 -3.612 0.282 3.523 30 HE1 DPN 4 HE1 DPN 4 -4.427 1.680 -1.188 31 HE2 DPN 4 HE2 DPN 4 -5.922 0.240 2.596 32 HZ DPN 4 HZ DPN 4 -6.335 0.936 0.237 33 H ASN 5 H ASN 5 -0.780 -1.102 -0.215 34 HA ASN 5 HA ASN 5 -2.926 -3.101 0.405 35 HB2 ASN 5 HB2 ASN 5 -3.537 -2.939 -1.967 36 HB3 ASN 5 HB3 ASN 5 -3.600 -1.353 -1.196 37 HD21 ASN 5 HD21 ASN 5 -1.470 0.077 -3.503 38 HD22 ASN 5 HD22 ASN 5 -2.712 0.246 -2.287 39 H LYS 6 H LYS 6 -2.700 -4.906 -1.519 40 HA LYS 6 HA LYS 6 -0.513 -6.470 -0.628 41 HB2 LYS 6 HB2 LYS 6 -2.220 -6.825 -3.112 42 HB3 LYS 6 HB3 LYS 6 -1.199 -8.063 -2.369 43 HG2 LYS 6 HG2 LYS 6 -2.595 -7.752 -0.248 44 HG3 LYS 6 HG3 LYS 6 -3.729 -6.822 -1.246 45 HD2 LYS 6 HD2 LYS 6 -2.847 -9.690 -1.796 46 HD3 LYS 6 HD3 LYS 6 -4.361 -9.231 -0.994 47 HE2 LYS 6 HE2 LYS 6 -5.034 -7.970 -3.050 48 HE3 LYS 6 HE3 LYS 6 -3.553 -8.534 -3.855 49 HZ1 LYS 6 HZ1 LYS 6 -4.327 -10.809 -3.539 50 HZ2 LYS 6 HZ2 LYS 6 -5.433 -9.941 -4.399 51 HZ3 LYS 6 HZ3 LYS 6 -5.710 -10.282 -2.809 52 H TYR 7 H TYR 7 -0.376 -4.047 -3.052 53 HA TYR 7 HA TYR 7 2.030 -5.379 -4.231 54 HB2 TYR 7 HB2 TYR 7 0.215 -3.298 -5.493 55 HB3 TYR 7 HB3 TYR 7 1.574 -4.130 -6.265 56 HD1 TYR 7 HD1 TYR 7 1.409 -6.636 -6.691 57 HD2 TYR 7 HD2 TYR 7 -1.964 -4.324 -5.347 58 HE1 TYR 7 HE1 TYR 7 -0.131 -8.474 -7.381 59 HE2 TYR 7 HE2 TYR 7 -3.499 -6.174 -6.035 60 HH TYR 7 HH TYR 7 -2.303 -9.160 -7.577 61 H VAL 8 H VAL 8 0.667 -2.278 -3.008 62 HA VAL 8 HA VAL 8 3.407 -1.171 -3.015 63 HB VAL 8 HB VAL 8 0.626 -0.020 -3.436 64 HG11 VAL 8 HG11 VAL 8 1.545 1.349 -1.852 65 HG12 VAL 8 HG12 VAL 8 1.694 2.185 -3.402 66 HG13 VAL 8 HG13 VAL 8 3.122 1.412 -2.669 67 HG21 VAL 8 HG21 VAL 8 1.661 0.961 -5.463 68 HG22 VAL 8 HG22 VAL 8 1.812 -0.807 -5.448 69 HG23 VAL 8 HG23 VAL 8 3.215 0.204 -5.035 70 H ORN 9 H ORN 9 4.176 -1.453 -1.068 71 HA ORN 9 HA ORN 9 2.687 -1.260 1.440 72 HB2 ORN 9 HB2 ORN 9 4.898 -2.529 1.025 73 HB3 ORN 9 HB3 ORN 9 5.688 -0.948 0.928 74 HG2 ORN 9 HG2 ORN 9 4.182 -0.884 3.363 75 HG3 ORN 9 HG3 ORN 9 4.871 -2.514 3.291 76 HD2 ORN 9 HD2 ORN 9 7.105 -1.707 3.279 77 HD3 ORN 9 HD3 ORN 9 6.621 -0.093 2.718 78 HE1 ORN 9 HE1 ORN 9 6.046 -1.177 5.402 79 HE2 ORN 9 HE2 ORN 9 7.219 -0.080 5.035 80 HE3 ORN 9 3HE ORN 9 5.633 0.330 4.844 81 H LEU 10 H LEU 10 2.823 0.577 2.897 82 HA LEU 10 HA LEU 10 3.660 3.120 1.734 83 HB2 LEU 10 HB2 LEU 10 1.129 2.286 2.625 84 HB3 LEU 10 HB3 LEU 10 1.648 3.527 3.708 85 HG LEU 10 HG LEU 10 0.214 4.418 1.980 86 HD11 LEU 10 HD11 LEU 10 3.085 5.326 1.522 87 HD12 LEU 10 HD12 LEU 10 1.999 5.884 2.826 88 HD13 LEU 10 HD13 LEU 10 1.613 6.240 1.135 89 HD21 LEU 10 HD21 LEU 10 0.744 2.727 0.202 90 HD22 LEU 10 HD22 LEU 10 2.273 3.582 -0.107 91 HD23 LEU 10 HD23 LEU 10 0.721 4.404 -0.374 Start of MODEL 7 1 H1 DPN 1 H1 DPN 1 3.173 4.829 3.810 2 HA DPN 1 HA DPN 1 4.489 5.795 5.406 3 HB2 DPN 1 HB2 DPN 1 6.005 3.315 5.947 4 HB3 DPN 1 HB3 DPN 1 6.089 4.196 4.395 5 HD1 DPN 1 HD1 DPN 1 6.831 4.369 8.024 6 HD2 DPN 1 HD2 DPN 1 7.011 6.466 4.269 7 HE1 DPN 1 HE1 DPN 1 8.355 6.056 9.045 8 HE2 DPN 1 HE2 DPN 1 8.533 8.159 5.281 9 HZ DPN 1 HZ DPN 1 9.211 7.955 7.672 10 H3 BE2 2 H3 BE2 2 2.370 4.509 9.275 11 HN21 BE2 2 HN21 BE2 2 2.892 2.757 6.007 12 H4 BE2 2 H4 BE2 2 0.907 3.684 11.036 13 H5 BE2 2 H5 BE2 2 -0.317 1.552 10.764 14 H6 BE2 2 H6 BE2 2 -0.078 0.232 8.723 15 H PHE 3 H PHE 3 0.172 -0.621 7.247 16 HA PHE 3 HA PHE 3 1.690 -1.317 4.828 17 HB2 PHE 3 HB2 PHE 3 -0.589 -2.741 6.248 18 HB3 PHE 3 HB3 PHE 3 0.332 -3.392 4.888 19 HD1 PHE 3 HD1 PHE 3 2.720 -4.041 5.177 20 HD2 PHE 3 HD2 PHE 3 0.306 -2.745 8.499 21 HE1 PHE 3 HE1 PHE 3 4.406 -4.971 6.759 22 HE2 PHE 3 HE2 PHE 3 1.986 -3.671 10.087 23 HZ PHE 3 HZ PHE 3 4.042 -4.784 9.220 24 H DPN 4 H DPN 4 0.983 -1.086 2.847 25 HA DPN 4 HA DPN 4 0.008 -0.007 1.151 26 HB2 DPN 4 HB2 DPN 4 -1.049 1.526 3.179 27 HB3 DPN 4 HB3 DPN 4 -1.117 1.846 1.449 28 HD1 DPN 4 HD1 DPN 4 -3.163 0.983 0.116 29 HD2 DPN 4 HD2 DPN 4 -3.065 1.228 4.411 30 HE1 DPN 4 HE1 DPN 4 -5.655 0.930 0.176 31 HE2 DPN 4 HE2 DPN 4 -5.545 1.165 4.480 32 HZ DPN 4 HZ DPN 4 -6.850 1.024 2.363 33 H ASN 5 H ASN 5 -0.704 -1.029 -0.444 34 HA ASN 5 HA ASN 5 -3.114 -2.778 -0.102 35 HB2 ASN 5 HB2 ASN 5 -3.395 -2.595 -2.535 36 HB3 ASN 5 HB3 ASN 5 -3.381 -0.998 -1.791 37 HD21 ASN 5 HD21 ASN 5 -0.838 0.136 -3.841 38 HD22 ASN 5 HD22 ASN 5 -2.213 0.469 -2.816 39 H LYS 6 H LYS 6 -2.837 -4.606 -2.016 40 HA LYS 6 HA LYS 6 -1.018 -6.430 -0.850 41 HB2 LYS 6 HB2 LYS 6 -2.430 -6.512 -3.537 42 HB3 LYS 6 HB3 LYS 6 -1.588 -7.879 -2.798 43 HG2 LYS 6 HG2 LYS 6 -3.125 -7.750 -0.848 44 HG3 LYS 6 HG3 LYS 6 -4.023 -6.456 -1.671 45 HD2 LYS 6 HD2 LYS 6 -4.465 -7.992 -3.573 46 HD3 LYS 6 HD3 LYS 6 -3.610 -9.288 -2.717 47 HE2 LYS 6 HE2 LYS 6 -6.102 -7.854 -1.698 48 HE3 LYS 6 HE3 LYS 6 -6.089 -9.442 -2.488 49 HZ1 LYS 6 HZ1 LYS 6 -4.717 -10.273 -0.672 50 HZ2 LYS 6 HZ2 LYS 6 -6.129 -9.655 -0.084 51 HZ3 LYS 6 HZ3 LYS 6 -4.728 -8.799 0.068 52 H TYR 7 H TYR 7 -0.246 -4.071 -3.261 53 HA TYR 7 HA TYR 7 2.187 -5.667 -3.971 54 HB2 TYR 7 HB2 TYR 7 0.811 -3.482 -5.569 55 HB3 TYR 7 HB3 TYR 7 2.222 -4.425 -6.071 56 HD1 TYR 7 HD1 TYR 7 -1.413 -4.309 -5.909 57 HD2 TYR 7 HD2 TYR 7 1.944 -6.958 -6.409 58 HE1 TYR 7 HE1 TYR 7 -2.922 -6.051 -6.872 59 HE2 TYR 7 HE2 TYR 7 0.428 -8.688 -7.373 60 HH TYR 7 HH TYR 7 -1.709 -9.211 -7.995 61 H VAL 8 H VAL 8 0.963 -2.410 -3.064 62 HA VAL 8 HA VAL 8 3.775 -1.559 -2.698 63 HB VAL 8 HB VAL 8 1.250 -0.220 -3.701 64 HG11 VAL 8 HG11 VAL 8 3.586 1.134 -2.423 65 HG12 VAL 8 HG12 VAL 8 1.864 1.178 -1.975 66 HG13 VAL 8 HG13 VAL 8 2.399 1.938 -3.480 67 HG21 VAL 8 HG21 VAL 8 4.143 -0.170 -4.662 68 HG22 VAL 8 HG22 VAL 8 2.760 0.612 -5.465 69 HG23 VAL 8 HG23 VAL 8 2.831 -1.159 -5.347 70 H ORN 9 H ORN 9 4.264 -1.627 -0.652 71 HA ORN 9 HA ORN 9 2.404 -1.133 1.561 72 HB2 ORN 9 HB2 ORN 9 4.667 -2.528 1.545 73 HB3 ORN 9 HB3 ORN 9 5.431 -0.938 1.720 74 HG2 ORN 9 HG2 ORN 9 3.645 -0.675 3.725 75 HG3 ORN 9 HG3 ORN 9 3.616 -2.441 3.641 76 HD2 ORN 9 HD2 ORN 9 5.238 -1.910 5.295 77 HD3 ORN 9 HD3 ORN 9 6.182 -2.356 3.859 78 HE1 ORN 9 HE1 ORN 9 5.508 0.439 4.573 79 HE2 ORN 9 HE2 ORN 9 6.917 -0.304 5.020 80 HE3 ORN 9 3HE ORN 9 6.574 -0.070 3.424 81 H LEU 10 H LEU 10 2.562 0.808 2.915 82 HA LEU 10 HA LEU 10 3.692 3.167 1.623 83 HB2 LEU 10 HB2 LEU 10 1.025 2.574 2.268 84 HB3 LEU 10 HB3 LEU 10 1.512 3.794 3.408 85 HG LEU 10 HG LEU 10 0.392 4.818 1.555 86 HD11 LEU 10 HD11 LEU 10 2.283 6.106 2.467 87 HD12 LEU 10 HD12 LEU 10 2.052 6.423 0.741 88 HD13 LEU 10 HD13 LEU 10 3.376 5.365 1.268 89 HD21 LEU 10 HD21 LEU 10 0.801 3.011 -0.113 90 HD22 LEU 10 HD22 LEU 10 2.463 3.609 -0.327 91 HD23 LEU 10 HD23 LEU 10 1.081 4.638 -0.758 Start of MODEL 8 1 H1 DPN 1 H1 DPN 1 3.530 5.065 4.125 2 HA DPN 1 HA DPN 1 4.596 5.948 5.937 3 HB2 DPN 1 HB2 DPN 1 5.863 3.352 6.624 4 HB3 DPN 1 HB3 DPN 1 6.292 4.348 5.207 5 HD1 DPN 1 HD1 DPN 1 7.036 6.753 5.572 6 HD2 DPN 1 HD2 DPN 1 6.575 3.977 8.827 7 HE1 DPN 1 HE1 DPN 1 8.382 8.256 7.033 8 HE2 DPN 1 HE2 DPN 1 7.935 5.465 10.293 9 HZ DPN 1 HZ DPN 1 8.838 7.611 9.400 10 H3 BE2 2 H3 BE2 2 1.790 4.877 9.380 11 HN21 BE2 2 HN21 BE2 2 2.756 2.989 6.284 12 H4 BE2 2 H4 BE2 2 0.019 4.189 10.892 13 H5 BE2 2 H5 BE2 2 -1.264 2.116 10.475 14 H6 BE2 2 H6 BE2 2 -0.762 0.713 8.539 15 H PHE 3 H PHE 3 -0.294 -0.215 7.172 16 HA PHE 3 HA PHE 3 1.550 -1.075 5.042 17 HB2 PHE 3 HB2 PHE 3 -0.992 -2.306 6.196 18 HB3 PHE 3 HB3 PHE 3 -0.023 -3.047 4.918 19 HD1 PHE 3 HD1 PHE 3 -0.178 -2.248 8.524 20 HD2 PHE 3 HD2 PHE 3 2.158 -4.048 5.389 21 HE1 PHE 3 HE1 PHE 3 1.274 -3.332 10.235 22 HE2 PHE 3 HE2 PHE 3 3.599 -5.157 7.093 23 HZ PHE 3 HZ PHE 3 3.165 -4.790 9.520 24 H DPN 4 H DPN 4 1.045 -1.118 2.930 25 HA DPN 4 HA DPN 4 0.377 -0.135 1.038 26 HB2 DPN 4 HB2 DPN 4 -0.711 1.724 2.850 27 HB3 DPN 4 HB3 DPN 4 -0.266 1.923 1.162 28 HD1 DPN 4 HD1 DPN 4 -3.048 1.533 3.513 29 HD2 DPN 4 HD2 DPN 4 -1.953 1.734 -0.641 30 HE1 DPN 4 HE1 DPN 4 -5.423 1.948 2.919 31 HE2 DPN 4 HE2 DPN 4 -4.330 2.183 -1.246 32 HZ DPN 4 HZ DPN 4 -6.071 2.275 0.536 33 H ASN 5 H ASN 5 -0.089 -1.626 -0.195 34 HA ASN 5 HA ASN 5 -2.714 -3.064 0.041 35 HB2 ASN 5 HB2 ASN 5 -1.498 -1.729 -2.366 36 HB3 ASN 5 HB3 ASN 5 -2.385 -3.222 -2.590 37 HD21 ASN 5 HD21 ASN 5 -4.461 0.108 -2.389 38 HD22 ASN 5 HD22 ASN 5 -2.756 0.029 -2.743 39 H LYS 6 H LYS 6 -2.347 -5.095 -1.625 40 HA LYS 6 HA LYS 6 -0.235 -6.657 -0.455 41 HB2 LYS 6 HB2 LYS 6 -1.893 -7.120 -2.962 42 HB3 LYS 6 HB3 LYS 6 -0.850 -8.326 -2.196 43 HG2 LYS 6 HG2 LYS 6 -2.237 -8.137 -0.116 44 HG3 LYS 6 HG3 LYS 6 -3.327 -7.044 -0.994 45 HD2 LYS 6 HD2 LYS 6 -3.762 -8.816 -2.665 46 HD3 LYS 6 HD3 LYS 6 -2.686 -9.914 -1.774 47 HE2 LYS 6 HE2 LYS 6 -4.154 -9.700 0.226 48 HE3 LYS 6 HE3 LYS 6 -5.250 -8.657 -0.701 49 HZ1 LYS 6 HZ1 LYS 6 -6.014 -10.951 -0.676 50 HZ2 LYS 6 HZ2 LYS 6 -4.605 -11.482 -1.350 51 HZ3 LYS 6 HZ3 LYS 6 -5.623 -10.517 -2.219 52 H TYR 7 H TYR 7 0.076 -4.223 -2.702 53 HA TYR 7 HA TYR 7 2.510 -5.480 -3.871 54 HB2 TYR 7 HB2 TYR 7 0.804 -3.469 -5.349 55 HB3 TYR 7 HB3 TYR 7 2.025 -4.572 -5.995 56 HD1 TYR 7 HD1 TYR 7 1.491 -7.137 -5.851 57 HD2 TYR 7 HD2 TYR 7 -1.493 -4.076 -5.326 58 HE1 TYR 7 HE1 TYR 7 -0.308 -8.805 -6.295 59 HE2 TYR 7 HE2 TYR 7 -3.286 -5.758 -5.759 60 HH TYR 7 HH TYR 7 -2.556 -9.156 -6.550 61 H VAL 8 H VAL 8 0.921 -2.288 -3.263 62 HA VAL 8 HA VAL 8 3.569 -1.042 -3.140 63 HB VAL 8 HB VAL 8 1.633 -0.099 -4.497 64 HG11 VAL 8 HG11 VAL 8 0.101 -0.279 -2.614 65 HG12 VAL 8 HG12 VAL 8 0.188 1.348 -3.315 66 HG13 VAL 8 HG13 VAL 8 1.021 0.981 -1.788 67 HG21 VAL 8 HG21 VAL 8 2.452 2.183 -4.154 68 HG22 VAL 8 HG22 VAL 8 3.814 1.048 -4.119 69 HG23 VAL 8 HG23 VAL 8 3.183 1.730 -2.599 70 H ORN 9 H ORN 9 4.254 0.228 -1.346 71 HA ORN 9 HA ORN 9 3.006 -0.541 1.260 72 HB2 ORN 9 HB2 ORN 9 5.917 -0.894 0.370 73 HB3 ORN 9 HB3 ORN 9 5.456 -0.817 2.070 74 HG2 ORN 9 HG2 ORN 9 5.350 -3.105 1.857 75 HG3 ORN 9 HG3 ORN 9 3.701 -2.740 1.334 76 HD2 ORN 9 HD2 ORN 9 4.537 -4.281 -0.279 77 HD3 ORN 9 HD3 ORN 9 4.620 -2.705 -1.081 78 HE1 ORN 9 HE1 ORN 9 6.963 -2.618 -0.482 79 HE2 ORN 9 HE2 ORN 9 6.868 -4.111 0.211 80 HE3 ORN 9 3HE ORN 9 6.626 -3.938 -1.413 81 H LEU 10 H LEU 10 3.392 1.009 2.967 82 HA LEU 10 HA LEU 10 4.239 3.650 2.065 83 HB2 LEU 10 HB2 LEU 10 1.586 2.750 2.335 84 HB3 LEU 10 HB3 LEU 10 1.843 3.877 3.616 85 HG LEU 10 HG LEU 10 0.786 4.955 1.747 86 HD11 LEU 10 HD11 LEU 10 2.317 6.820 1.318 87 HD12 LEU 10 HD12 LEU 10 3.693 5.858 1.897 88 HD13 LEU 10 HD13 LEU 10 2.386 6.328 3.019 89 HD21 LEU 10 HD21 LEU 10 1.602 3.422 -0.037 90 HD22 LEU 10 HD22 LEU 10 3.191 4.221 0.034 91 HD23 LEU 10 HD23 LEU 10 1.753 5.139 -0.463
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