NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
566641 | 2md1 | 19468 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 1 H TRP 1 1.807 0.000 0.856 2 HA TRP 1 HA TRP 1 3.114 -0.253 -1.002 3 HB2 TRP 1 2HB TRP 1 1.214 -1.911 -1.646 4 HB3 TRP 1 3HB TRP 1 0.687 -0.628 -2.732 5 HD1 TRP 1 HD1 TRP 1 4.328 -1.769 -2.050 6 HE1 TRP 1 HE1 TRP 1 5.375 -2.463 -4.296 7 HE3 TRP 1 HE3 TRP 1 0.232 -1.218 -5.059 8 HZ2 TRP 1 HZ2 TRP 1 4.571 -2.740 -6.988 9 HZ3 TRP 1 HZ3 TRP 1 0.455 -1.717 -7.458 10 HH2 TRP 1 HH2 TRP 1 2.580 -2.462 -8.401 11 H LYS 2 H LYS 2 3.984 1.675 -1.412 12 HA LYS 2 HA LYS 2 2.699 4.070 -1.860 13 HB2 LYS 2 2HB LYS 2 4.854 4.766 -3.007 14 HB3 LYS 2 3HB LYS 2 5.015 4.128 -1.376 15 HG2 LYS 2 2HG LYS 2 5.225 2.047 -3.381 16 HG3 LYS 2 3HG LYS 2 6.424 3.322 -3.609 17 HD2 LYS 2 2HD LYS 2 6.000 2.297 -0.853 18 HD3 LYS 2 3HD LYS 2 6.848 1.253 -1.997 19 HE2 LYS 2 2HE LYS 2 8.650 2.394 -1.246 20 HE3 LYS 2 3HE LYS 2 8.133 3.559 -2.464 21 HZ1 LYS 2 3HZ LYS 2 6.905 3.850 0.148 22 HZ2 LYS 2 1HZ LYS 2 7.495 5.031 -0.910 23 HZ3 LYS 2 2HZ LYS 2 8.563 4.181 0.088 24 H LEU 3 H LEU 3 3.210 1.446 -4.055 25 HA LEU 3 HA LEU 3 2.797 2.936 -6.461 26 HB2 LEU 3 2HB LEU 3 3.462 0.260 -5.732 27 HB3 LEU 3 3HB LEU 3 2.099 0.220 -6.848 28 HG LEU 3 HG LEU 3 4.055 -0.004 -8.156 29 HD11 LEU 3 1HD1 LEU 3 3.111 1.352 -9.633 30 HD12 LEU 3 2HD1 LEU 3 4.036 2.685 -8.945 31 HD13 LEU 3 3HD1 LEU 3 2.413 2.339 -8.349 32 HD21 LEU 3 3HD2 LEU 3 5.151 2.461 -6.807 33 HD22 LEU 3 1HD2 LEU 3 5.952 1.483 -8.037 34 HD23 LEU 3 2HD2 LEU 3 5.638 0.805 -6.439 35 H LEU 4 H LEU 4 0.755 0.989 -4.336 36 HA LEU 4 HA LEU 4 -1.575 1.364 -6.007 37 HB2 LEU 4 2HB LEU 4 -0.827 -0.274 -3.734 38 HB3 LEU 4 3HB LEU 4 -2.434 0.424 -3.543 39 HG LEU 4 HG LEU 4 -3.341 -0.944 -5.072 40 HD11 LEU 4 1HD1 LEU 4 -2.492 0.007 -7.021 41 HD12 LEU 4 2HD1 LEU 4 -2.012 -1.686 -7.137 42 HD13 LEU 4 3HD1 LEU 4 -0.835 -0.467 -6.646 43 HD21 LEU 4 3HD2 LEU 4 -1.091 -2.751 -5.353 44 HD22 LEU 4 1HD2 LEU 4 -2.650 -3.000 -4.567 45 HD23 LEU 4 2HD2 LEU 4 -1.328 -2.237 -3.682 46 H SER 5 H SER 5 -0.149 2.808 -3.179 47 HA SER 5 HA SER 5 -2.494 4.244 -2.372 48 HB2 SER 5 2HB SER 5 0.418 4.400 -1.612 49 HB3 SER 5 3HB SER 5 -0.757 5.567 -1.003 50 HG SER 5 HG SER 5 -0.272 3.085 -0.143 51 H LYS 6 H LYS 6 -0.102 4.682 -4.764 52 HA LYS 6 HA LYS 6 -0.713 7.543 -5.015 53 HB2 LYS 6 2HB LYS 6 1.265 7.774 -6.294 54 HB3 LYS 6 3HB LYS 6 1.689 6.726 -4.946 55 HG2 LYS 6 2HG LYS 6 2.663 5.563 -6.631 56 HG3 LYS 6 3HG LYS 6 1.054 4.839 -6.690 57 HD2 LYS 6 2HD LYS 6 0.616 5.709 -8.711 58 HD3 LYS 6 3HD LYS 6 1.306 7.277 -8.285 59 HE2 LYS 6 2HE LYS 6 3.295 5.156 -8.556 60 HE3 LYS 6 3HE LYS 6 2.393 5.467 -10.039 61 HZ1 LYS 6 3HZ LYS 6 4.064 7.349 -8.486 62 HZ2 LYS 6 1HZ LYS 6 2.929 7.892 -9.617 63 HZ3 LYS 6 2HZ LYS 6 4.212 6.908 -10.112 64 H ALA 7 H ALA 7 -1.338 4.487 -6.418 65 HA ALA 7 HA ALA 7 -2.250 5.689 -8.933 66 HB1 ALA 7 1HB ALA 7 -2.380 3.429 -9.795 67 HB2 ALA 7 2HB ALA 7 -0.794 3.710 -9.077 68 HB3 ALA 7 3HB ALA 7 -2.004 2.774 -8.201 69 H GLN 8 H GLN 8 -3.418 4.694 -5.927 70 HA GLN 8 HA GLN 8 -6.143 4.360 -6.991 71 HB2 GLN 8 2HB GLN 8 -5.054 3.490 -4.309 72 HB3 GLN 8 3HB GLN 8 -6.681 3.198 -4.909 73 HG2 GLN 8 2HG GLN 8 -4.374 2.218 -6.507 74 HG3 GLN 8 3HG GLN 8 -4.824 1.352 -5.039 75 HE21 GLN 8 1HE2 GLN 8 -7.340 1.097 -4.907 76 HE22 GLN 8 2HE2 GLN 8 -8.065 0.447 -6.334 77 H GLU 9 H GLU 9 -4.094 6.260 -4.962 78 HA GLU 9 HA GLU 9 -5.955 7.512 -3.308 79 HB2 GLU 9 2HB GLU 9 -3.731 7.940 -2.765 80 HB3 GLU 9 3HB GLU 9 -3.298 8.333 -4.423 81 HG2 GLU 9 2HG GLU 9 -4.431 10.443 -4.279 82 HG3 GLU 9 3HG GLU 9 -5.056 10.042 -2.680 83 H LYS 10 H LYS 10 -5.275 7.946 -6.684 84 HA LYS 10 HA LYS 10 -6.733 10.446 -6.859 85 HB2 LYS 10 2HB LYS 10 -6.262 10.278 -9.279 86 HB3 LYS 10 3HB LYS 10 -4.806 10.147 -8.302 87 HG2 LYS 10 2HG LYS 10 -4.310 8.247 -9.314 88 HG3 LYS 10 3HG LYS 10 -5.796 7.528 -8.688 89 HD2 LYS 10 2HD LYS 10 -6.097 7.258 -10.952 90 HD3 LYS 10 3HD LYS 10 -6.898 8.809 -10.692 91 HE2 LYS 10 2HE LYS 10 -4.237 9.467 -11.138 92 HE3 LYS 10 3HE LYS 10 -4.562 8.168 -12.283 93 HZ1 LYS 10 3HZ LYS 10 -6.627 9.494 -12.878 94 HZ2 LYS 10 1HZ LYS 10 -5.142 10.115 -13.399 95 HZ3 LYS 10 2HZ LYS 10 -5.913 10.786 -12.052 96 H PHE 11 H PHE 11 -7.852 7.606 -6.181 97 HA PHE 11 HA PHE 11 -10.140 7.778 -8.030 98 HB2 PHE 11 2HB PHE 11 -8.741 5.384 -6.874 99 HB3 PHE 11 3HB PHE 11 -10.422 5.279 -7.385 100 HD1 PHE 11 HD1 PHE 11 -10.476 6.902 -9.794 101 HD2 PHE 11 HD2 PHE 11 -7.510 4.182 -8.410 102 HE1 PHE 11 HE1 PHE 11 -9.748 6.522 -12.113 103 HE2 PHE 11 HE2 PHE 11 -6.776 3.798 -10.726 104 HZ PHE 11 HZ PHE 11 -7.894 4.969 -12.582 105 H GLY 12 H GLY 12 -10.548 9.412 -6.118 106 HA2 GLY 12 2HA GLY 12 -11.597 8.146 -3.726 107 HA3 GLY 12 3HA GLY 12 -11.551 9.871 -4.063 108 H LYS 13 H LYS 13 -12.793 8.433 -6.748 109 HA LYS 13 HA LYS 13 -15.556 8.813 -5.795 110 HB2 LYS 13 2HB LYS 13 -14.846 9.031 -8.689 111 HB3 LYS 13 3HB LYS 13 -16.140 9.818 -7.794 112 HG2 LYS 13 2HG LYS 13 -14.855 11.635 -7.908 113 HG3 LYS 13 3HG LYS 13 -13.916 10.877 -6.620 114 HD2 LYS 13 2HD LYS 13 -12.146 10.819 -7.963 115 HD3 LYS 13 3HD LYS 13 -13.035 9.775 -9.075 116 HE2 LYS 13 2HE LYS 13 -14.095 12.138 -9.752 117 HE3 LYS 13 3HE LYS 13 -12.515 12.687 -9.195 118 HZ1 LYS 13 3HZ LYS 13 -12.972 11.875 -11.671 119 HZ2 LYS 13 1HZ LYS 13 -12.527 10.394 -10.984 120 HZ3 LYS 13 2HZ LYS 13 -11.467 11.709 -10.917 121 H ASN 14 H ASN 14 -13.320 6.669 -7.258 122 HA ASN 14 HA ASN 14 -15.263 4.951 -8.493 123 HB2 ASN 14 2HB ASN 14 -12.320 4.644 -7.897 124 HB3 ASN 14 3HB ASN 14 -13.274 3.369 -8.650 125 HD21 ASN 14 1HD2 ASN 14 -11.760 3.613 -10.411 126 HD22 ASN 14 2HD2 ASN 14 -12.022 4.850 -11.590 127 H LYS 15 H LYS 15 -14.044 5.384 -5.334 128 HA LYS 15 HA LYS 15 -14.920 2.710 -4.500 129 HB2 LYS 15 2HB LYS 15 -13.491 4.772 -2.821 130 HB3 LYS 15 3HB LYS 15 -13.694 3.060 -2.472 131 HG2 LYS 15 2HG LYS 15 -12.024 4.257 -4.673 132 HG3 LYS 15 3HG LYS 15 -11.437 3.492 -3.195 133 HD2 LYS 15 2HD LYS 15 -12.986 1.514 -4.166 134 HD3 LYS 15 3HD LYS 15 -12.487 2.282 -5.675 135 HE2 LYS 15 2HE LYS 15 -10.920 0.542 -5.128 136 HE3 LYS 15 3HE LYS 15 -10.130 2.106 -4.927 137 HZ1 LYS 15 3HZ LYS 15 -9.753 1.674 -2.799 138 HZ2 LYS 15 1HZ LYS 15 -10.276 0.088 -3.071 139 HZ3 LYS 15 2HZ LYS 15 -11.366 1.254 -2.511 140 H SER 16 H SER 16 -17.077 4.015 -5.160 141 HA SER 16 HA SER 16 -18.183 5.061 -2.636 142 HB2 SER 16 2HB SER 16 -19.810 6.324 -4.068 143 HB3 SER 16 3HB SER 16 -18.136 6.845 -4.261 144 HG SER 16 HG SER 16 -19.271 6.554 -6.265 145 H ARG 17 H ARG 17 -18.051 2.292 -3.453 146 HA ARG 17 HA ARG 17 -20.826 1.651 -4.127 147 HB2 ARG 17 2HB ARG 17 -18.246 0.325 -4.461 148 HB3 ARG 17 3HB ARG 17 -19.482 -0.747 -3.818 149 HG2 ARG 17 2HG ARG 17 -20.264 -1.029 -5.865 150 HG3 ARG 17 3HG ARG 17 -20.675 0.686 -5.926 151 HD2 ARG 17 2HD ARG 17 -18.863 1.214 -7.178 152 HD3 ARG 17 3HD ARG 17 -17.843 0.003 -6.402 153 HE ARG 17 HE ARG 17 -19.699 -1.378 -7.922 154 HH11 ARG 17 1HH1 ARG 17 -17.137 0.919 -8.454 155 HH12 ARG 17 2HH1 ARG 17 -16.764 0.332 -10.041 156 HH21 ARG 17 1HH2 ARG 17 -19.217 -2.160 -10.010 157 HH22 ARG 17 2HH2 ARG 17 -17.948 -1.418 -10.925 Start of MODEL 2 1 H1 TRP 1 H TRP 1 1.939 -2.168 -0.128 2 HA TRP 1 HA TRP 1 3.658 -1.249 -1.391 3 HB2 TRP 1 2HB TRP 1 2.156 -2.858 -2.780 4 HB3 TRP 1 3HB TRP 1 1.645 -1.393 -3.615 5 HD1 TRP 1 HD1 TRP 1 5.240 -2.313 -2.499 6 HE1 TRP 1 HE1 TRP 1 6.746 -2.298 -4.586 7 HE3 TRP 1 HE3 TRP 1 1.685 -1.407 -6.059 8 HZ2 TRP 1 HZ2 TRP 1 6.465 -1.947 -7.372 9 HZ3 TRP 1 HZ3 TRP 1 2.387 -1.245 -8.412 10 HH2 TRP 1 HH2 TRP 1 4.728 -1.509 -9.053 11 H LYS 2 H LYS 2 4.305 0.793 -1.160 12 HA LYS 2 HA LYS 2 2.782 3.088 -1.277 13 HB2 LYS 2 2HB LYS 2 4.916 4.301 -1.631 14 HB3 LYS 2 3HB LYS 2 5.013 3.103 -0.347 15 HG2 LYS 2 2HG LYS 2 6.859 2.378 -1.343 16 HG3 LYS 2 3HG LYS 2 5.804 1.704 -2.588 17 HD2 LYS 2 2HD LYS 2 7.236 2.960 -3.872 18 HD3 LYS 2 3HD LYS 2 5.946 4.130 -3.579 19 HE2 LYS 2 2HE LYS 2 7.481 4.620 -1.439 20 HE3 LYS 2 3HE LYS 2 8.722 4.056 -2.556 21 HZ1 LYS 2 3HZ LYS 2 7.554 6.573 -2.446 22 HZ2 LYS 2 1HZ LYS 2 7.015 5.861 -3.882 23 HZ3 LYS 2 2HZ LYS 2 8.672 6.002 -3.579 24 H LEU 3 H LEU 3 4.017 1.176 -3.876 25 HA LEU 3 HA LEU 3 3.816 3.196 -5.896 26 HB2 LEU 3 2HB LEU 3 4.735 0.502 -5.700 27 HB3 LEU 3 3HB LEU 3 3.607 0.621 -7.049 28 HG LEU 3 HG LEU 3 5.769 0.943 -7.945 29 HD11 LEU 3 1HD1 LEU 3 4.933 2.554 -9.215 30 HD12 LEU 3 2HD1 LEU 3 5.480 3.739 -8.029 31 HD13 LEU 3 3HD1 LEU 3 3.854 3.066 -7.918 32 HD21 LEU 3 3HD2 LEU 3 6.905 1.414 -5.807 33 HD22 LEU 3 1HD2 LEU 3 6.242 3.049 -5.838 34 HD23 LEU 3 2HD2 LEU 3 7.376 2.534 -7.087 35 H LEU 4 H LEU 4 1.749 0.582 -4.733 36 HA LEU 4 HA LEU 4 -0.290 1.135 -6.711 37 HB2 LEU 4 2HB LEU 4 0.297 -0.954 -4.789 38 HB3 LEU 4 3HB LEU 4 -1.404 -0.494 -4.759 39 HG LEU 4 HG LEU 4 -1.835 -1.502 -6.716 40 HD11 LEU 4 1HD1 LEU 4 -0.100 -1.536 -8.599 41 HD12 LEU 4 2HD1 LEU 4 0.800 -0.386 -7.610 42 HD13 LEU 4 3HD1 LEU 4 -0.823 0.015 -8.171 43 HD21 LEU 4 3HD2 LEU 4 0.671 -2.936 -6.975 44 HD22 LEU 4 1HD2 LEU 4 -0.941 -3.537 -6.585 45 HD23 LEU 4 2HD2 LEU 4 0.096 -2.900 -5.308 46 H SER 5 H SER 5 0.410 1.943 -3.400 47 HA SER 5 HA SER 5 -2.226 2.873 -2.765 48 HB2 SER 5 2HB SER 5 0.458 3.094 -1.420 49 HB3 SER 5 3HB SER 5 -0.942 3.976 -0.809 50 HG SER 5 HG SER 5 -0.511 1.784 0.068 51 H LYS 6 H LYS 6 0.464 4.160 -4.433 52 HA LYS 6 HA LYS 6 -0.489 6.914 -4.110 53 HB2 LYS 6 2HB LYS 6 1.610 7.639 -4.945 54 HB3 LYS 6 3HB LYS 6 1.958 6.333 -3.820 55 HG2 LYS 6 2HG LYS 6 3.314 5.709 -5.524 56 HG3 LYS 6 3HG LYS 6 1.837 4.889 -6.037 57 HD2 LYS 6 2HD LYS 6 1.652 6.162 -7.866 58 HD3 LYS 6 3HD LYS 6 1.968 7.645 -6.962 59 HE2 LYS 6 2HE LYS 6 4.135 5.711 -7.749 60 HE3 LYS 6 3HE LYS 6 3.637 7.058 -8.771 61 HZ1 LYS 6 3HZ LYS 6 5.233 8.128 -7.632 62 HZ2 LYS 6 1HZ LYS 6 5.177 7.069 -6.313 63 HZ3 LYS 6 2HZ LYS 6 4.032 8.306 -6.454 64 H ALA 7 H ALA 7 -0.433 4.295 -6.333 65 HA ALA 7 HA ALA 7 -1.150 6.032 -8.581 66 HB1 ALA 7 1HB ALA 7 -0.614 3.065 -8.579 67 HB2 ALA 7 2HB ALA 7 -0.815 4.101 -9.993 68 HB3 ALA 7 3HB ALA 7 0.582 4.310 -8.937 69 H GLN 8 H GLN 8 -2.586 4.140 -6.179 70 HA GLN 8 HA GLN 8 -5.039 3.792 -7.765 71 HB2 GLN 8 2HB GLN 8 -4.066 1.745 -6.738 72 HB3 GLN 8 3HB GLN 8 -4.290 2.470 -5.151 73 HG2 GLN 8 2HG GLN 8 -6.502 2.066 -5.126 74 HG3 GLN 8 3HG GLN 8 -6.687 2.368 -6.853 75 HE21 GLN 8 1HE2 GLN 8 -7.464 0.147 -4.894 76 HE22 GLN 8 2HE2 GLN 8 -7.003 -1.298 -5.722 77 H GLU 9 H GLU 9 -3.649 5.378 -5.022 78 HA GLU 9 HA GLU 9 -5.924 6.009 -3.542 79 HB2 GLU 9 2HB GLU 9 -3.877 6.509 -2.519 80 HB3 GLU 9 3HB GLU 9 -3.280 7.378 -3.926 81 HG2 GLU 9 2HG GLU 9 -4.530 9.276 -3.443 82 HG3 GLU 9 3HG GLU 9 -5.624 8.399 -2.375 83 H LYS 10 H LYS 10 -4.767 7.276 -6.556 84 HA LYS 10 HA LYS 10 -6.526 9.582 -6.482 85 HB2 LYS 10 2HB LYS 10 -5.542 10.223 -8.548 86 HB3 LYS 10 3HB LYS 10 -4.236 9.598 -7.550 87 HG2 LYS 10 2HG LYS 10 -4.343 7.468 -8.744 88 HG3 LYS 10 3HG LYS 10 -5.648 8.101 -9.750 89 HD2 LYS 10 2HD LYS 10 -2.871 9.269 -9.574 90 HD3 LYS 10 3HD LYS 10 -3.442 8.204 -10.860 91 HE2 LYS 10 2HE LYS 10 -4.199 9.988 -11.944 92 HE3 LYS 10 3HE LYS 10 -5.342 10.264 -10.630 93 HZ1 LYS 10 3HZ LYS 10 -4.189 12.014 -9.928 94 HZ2 LYS 10 1HZ LYS 10 -3.334 11.942 -11.386 95 HZ3 LYS 10 2HZ LYS 10 -2.711 11.194 -10.003 96 H PHE 11 H PHE 11 -7.349 6.593 -6.616 97 HA PHE 11 HA PHE 11 -9.247 6.921 -8.847 98 HB2 PHE 11 2HB PHE 11 -7.853 4.446 -7.840 99 HB3 PHE 11 3HB PHE 11 -9.306 4.362 -8.831 100 HD1 PHE 11 HD2 PHE 11 -5.897 5.858 -8.803 101 HD2 PHE 11 HD1 PHE 11 -9.111 4.315 -11.128 102 HE1 PHE 11 HE2 PHE 11 -4.518 6.051 -10.831 103 HE2 PHE 11 HE1 PHE 11 -7.737 4.505 -13.160 104 HZ PHE 11 HZ PHE 11 -5.438 5.376 -13.014 105 H GLY 12 H GLY 12 -10.019 8.042 -6.564 106 HA2 GLY 12 2HA GLY 12 -11.615 6.077 -5.080 107 HA3 GLY 12 3HA GLY 12 -11.300 7.734 -4.584 108 H LYS 13 H LYS 13 -12.344 6.823 -7.806 109 HA LYS 13 HA LYS 13 -14.580 8.616 -7.639 110 HB2 LYS 13 2HB LYS 13 -13.521 8.560 -9.743 111 HB3 LYS 13 3HB LYS 13 -13.498 6.802 -9.782 112 HG2 LYS 13 2HG LYS 13 -16.171 8.019 -9.660 113 HG3 LYS 13 3HG LYS 13 -15.256 8.333 -11.137 114 HD2 LYS 13 2HD LYS 13 -15.047 5.563 -10.336 115 HD3 LYS 13 3HD LYS 13 -16.733 6.050 -10.531 116 HE2 LYS 13 2HE LYS 13 -14.590 6.563 -12.586 117 HE3 LYS 13 3HE LYS 13 -15.638 5.146 -12.599 118 HZ1 LYS 13 3HZ LYS 13 -16.171 7.729 -13.574 119 HZ2 LYS 13 1HZ LYS 13 -17.269 7.385 -12.334 120 HZ3 LYS 13 2HZ LYS 13 -17.142 6.346 -13.663 121 H ASN 14 H ASN 14 -14.072 5.205 -7.285 122 HA ASN 14 HA ASN 14 -16.984 4.808 -7.068 123 HB2 ASN 14 2HB ASN 14 -14.803 3.023 -8.089 124 HB3 ASN 14 3HB ASN 14 -16.260 2.312 -7.403 125 HD21 ASN 14 1HD2 ASN 14 -15.012 2.649 -10.194 126 HD22 ASN 14 2HD2 ASN 14 -16.353 3.145 -11.165 127 H LYS 15 H LYS 15 -16.027 5.831 -4.869 128 HA LYS 15 HA LYS 15 -14.763 4.150 -3.019 129 HB2 LYS 15 2HB LYS 15 -15.608 6.745 -3.010 130 HB3 LYS 15 3HB LYS 15 -16.767 6.005 -1.912 131 HG2 LYS 15 2HG LYS 15 -15.250 6.280 -0.318 132 HG3 LYS 15 3HG LYS 15 -14.333 4.983 -1.089 133 HD2 LYS 15 2HD LYS 15 -12.991 6.512 -2.288 134 HD3 LYS 15 3HD LYS 15 -14.073 7.860 -1.930 135 HE2 LYS 15 2HE LYS 15 -13.485 7.619 0.471 136 HE3 LYS 15 3HE LYS 15 -12.317 6.377 0.024 137 HZ1 LYS 15 3HZ LYS 15 -11.951 9.139 0.058 138 HZ2 LYS 15 1HZ LYS 15 -11.880 8.653 -1.562 139 HZ3 LYS 15 2HZ LYS 15 -10.847 7.951 -0.422 140 H SER 16 H SER 16 -18.230 5.000 -3.106 141 HA SER 16 HA SER 16 -19.067 3.066 -1.280 142 HB2 SER 16 2HB SER 16 -20.693 4.149 -3.590 143 HB3 SER 16 3HB SER 16 -21.312 3.479 -2.081 144 HG SER 16 HG SER 16 -21.340 5.643 -1.784 145 H ARG 17 H ARG 17 -19.534 2.939 -4.817 146 HA ARG 17 HA ARG 17 -20.207 0.193 -4.837 147 HB2 ARG 17 2HB ARG 17 -19.406 2.155 -6.968 148 HB3 ARG 17 3HB ARG 17 -19.648 0.455 -7.350 149 HG2 ARG 17 2HG ARG 17 -21.771 1.023 -7.707 150 HG3 ARG 17 3HG ARG 17 -21.916 1.060 -5.949 151 HD2 ARG 17 2HD ARG 17 -22.587 3.176 -6.226 152 HD3 ARG 17 3HD ARG 17 -20.882 3.533 -6.503 153 HE ARG 17 HE ARG 17 -22.068 2.736 -8.924 154 HH11 ARG 17 1HH1 ARG 17 -22.080 5.385 -6.665 155 HH12 ARG 17 2HH1 ARG 17 -22.482 6.573 -7.860 156 HH21 ARG 17 1HH2 ARG 17 -22.597 4.290 -10.507 157 HH22 ARG 17 2HH2 ARG 17 -22.777 5.949 -10.045 Start of MODEL 3 1 H1 TRP 1 H TRP 1 1.963 -0.865 0.151 2 HA TRP 1 HA TRP 1 3.812 -0.175 -1.054 3 HB2 TRP 1 2HB TRP 1 3.107 -2.061 -2.703 4 HB3 TRP 1 3HB TRP 1 2.414 -0.748 -3.650 5 HD1 TRP 1 HD1 TRP 1 5.812 -0.747 -1.786 6 HE1 TRP 1 HE1 TRP 1 7.661 -0.256 -3.508 7 HE3 TRP 1 HE3 TRP 1 2.963 -0.648 -6.030 8 HZ2 TRP 1 HZ2 TRP 1 7.882 0.125 -6.296 9 HZ3 TRP 1 HZ3 TRP 1 4.070 -0.214 -8.184 10 HH2 TRP 1 HH2 TRP 1 6.479 0.165 -8.312 11 H LYS 2 H LYS 2 3.834 1.954 -0.722 12 HA LYS 2 HA LYS 2 1.821 3.776 -1.194 13 HB2 LYS 2 2HB LYS 2 3.644 5.508 -1.182 14 HB3 LYS 2 3HB LYS 2 3.664 4.403 0.186 15 HG2 LYS 2 2HG LYS 2 5.293 3.480 -2.041 16 HG3 LYS 2 3HG LYS 2 5.805 5.044 -1.403 17 HD2 LYS 2 2HD LYS 2 5.465 3.777 0.908 18 HD3 LYS 2 3HD LYS 2 5.785 2.370 -0.109 19 HE2 LYS 2 2HE LYS 2 7.913 2.922 0.554 20 HE3 LYS 2 3HE LYS 2 7.792 3.820 -0.958 21 HZ1 LYS 2 3HZ LYS 2 7.722 4.828 1.805 22 HZ2 LYS 2 1HZ LYS 2 6.958 5.706 0.576 23 HZ3 LYS 2 2HZ LYS 2 8.617 5.389 0.484 24 H LEU 3 H LEU 3 4.031 2.362 -3.443 25 HA LEU 3 HA LEU 3 3.728 4.339 -5.491 26 HB2 LEU 3 2HB LEU 3 5.258 1.967 -5.065 27 HB3 LEU 3 3HB LEU 3 4.448 1.851 -6.626 28 HG LEU 3 HG LEU 3 6.593 2.757 -7.037 29 HD11 LEU 3 1HD1 LEU 3 5.622 5.379 -7.245 30 HD12 LEU 3 2HD1 LEU 3 4.226 4.320 -7.447 31 HD13 LEU 3 3HD1 LEU 3 5.635 4.129 -8.490 32 HD21 LEU 3 3HD2 LEU 3 6.029 4.809 -4.899 33 HD22 LEU 3 1HD2 LEU 3 7.488 4.694 -5.883 34 HD23 LEU 3 2HD2 LEU 3 7.102 3.419 -4.726 35 H LEU 4 H LEU 4 2.227 1.231 -4.754 36 HA LEU 4 HA LEU 4 0.571 1.315 -7.125 37 HB2 LEU 4 2HB LEU 4 1.272 -0.625 -5.088 38 HB3 LEU 4 3HB LEU 4 -0.458 -0.623 -5.426 39 HG LEU 4 HG LEU 4 -0.191 -1.630 -7.413 40 HD11 LEU 4 1HD1 LEU 4 1.847 -1.136 -8.885 41 HD12 LEU 4 2HD1 LEU 4 2.184 0.168 -7.748 42 HD13 LEU 4 3HD1 LEU 4 0.667 0.153 -8.647 43 HD21 LEU 4 3HD2 LEU 4 2.599 -2.354 -7.116 44 HD22 LEU 4 1HD2 LEU 4 1.156 -3.366 -7.059 45 HD23 LEU 4 2HD2 LEU 4 1.705 -2.531 -5.605 46 H SER 5 H SER 5 0.330 2.143 -3.753 47 HA SER 5 HA SER 5 -2.531 2.333 -3.708 48 HB2 SER 5 2HB SER 5 -0.341 3.185 -1.826 49 HB3 SER 5 3HB SER 5 -2.019 3.647 -1.540 50 HG SER 5 HG SER 5 -2.078 1.762 -0.592 51 H LYS 6 H LYS 6 0.017 4.339 -4.785 52 HA LYS 6 HA LYS 6 -1.670 6.736 -4.715 53 HB2 LYS 6 2HB LYS 6 0.292 8.014 -5.086 54 HB3 LYS 6 3HB LYS 6 0.728 6.793 -3.898 55 HG2 LYS 6 2HG LYS 6 2.526 6.626 -5.269 56 HG3 LYS 6 3HG LYS 6 1.460 5.469 -6.070 57 HD2 LYS 6 2HD LYS 6 1.306 6.731 -7.912 58 HD3 LYS 6 3HD LYS 6 1.056 8.209 -6.979 59 HE2 LYS 6 2HE LYS 6 3.766 7.264 -6.706 60 HE3 LYS 6 3HE LYS 6 3.343 7.464 -8.406 61 HZ1 LYS 6 3HZ LYS 6 3.402 9.490 -6.266 62 HZ2 LYS 6 1HZ LYS 6 2.436 9.725 -7.635 63 HZ3 LYS 6 2HZ LYS 6 4.109 9.542 -7.801 64 H ALA 7 H ALA 7 -0.465 4.315 -6.832 65 HA ALA 7 HA ALA 7 -1.120 5.899 -9.209 66 HB1 ALA 7 1HB ALA 7 -0.002 4.180 -10.487 67 HB2 ALA 7 2HB ALA 7 1.038 4.705 -9.162 68 HB3 ALA 7 3HB ALA 7 0.166 3.177 -9.046 69 H GLN 8 H GLN 8 -2.482 3.602 -7.142 70 HA GLN 8 HA GLN 8 -4.363 2.690 -9.211 71 HB2 GLN 8 2HB GLN 8 -3.125 0.934 -7.950 72 HB3 GLN 8 3HB GLN 8 -3.880 1.512 -6.470 73 HG2 GLN 8 2HG GLN 8 -5.908 0.625 -6.988 74 HG3 GLN 8 3HG GLN 8 -5.655 0.776 -8.726 75 HE21 GLN 8 1HE2 GLN 8 -6.343 -1.455 -6.692 76 HE22 GLN 8 2HE2 GLN 8 -5.350 -2.769 -7.214 77 H GLU 9 H GLU 9 -4.058 4.463 -6.252 78 HA GLU 9 HA GLU 9 -6.692 4.430 -5.333 79 HB2 GLU 9 2HB GLU 9 -5.093 5.365 -3.886 80 HB3 GLU 9 3HB GLU 9 -4.480 6.454 -5.122 81 HG2 GLU 9 2HG GLU 9 -6.471 7.797 -4.999 82 HG3 GLU 9 3HG GLU 9 -7.210 6.657 -3.875 83 H LYS 10 H LYS 10 -5.279 6.019 -8.054 84 HA LYS 10 HA LYS 10 -7.478 7.878 -8.388 85 HB2 LYS 10 2HB LYS 10 -6.287 8.547 -10.448 86 HB3 LYS 10 3HB LYS 10 -5.256 8.614 -9.025 87 HG2 LYS 10 2HG LYS 10 -3.797 7.235 -9.954 88 HG3 LYS 10 3HG LYS 10 -5.054 6.032 -10.253 89 HD2 LYS 10 2HD LYS 10 -4.213 6.533 -12.380 90 HD3 LYS 10 3HD LYS 10 -5.699 7.479 -12.266 91 HE2 LYS 10 2HE LYS 10 -4.572 9.476 -12.085 92 HE3 LYS 10 3HE LYS 10 -3.125 8.721 -11.420 93 HZ1 LYS 10 3HZ LYS 10 -4.033 8.655 -14.245 94 HZ2 LYS 10 1HZ LYS 10 -2.738 7.744 -13.647 95 HZ3 LYS 10 2HZ LYS 10 -2.661 9.433 -13.632 96 H PHE 11 H PHE 11 -7.550 4.764 -8.613 97 HA PHE 11 HA PHE 11 -9.057 4.715 -11.145 98 HB2 PHE 11 2HB PHE 11 -7.282 2.630 -9.897 99 HB3 PHE 11 3HB PHE 11 -8.522 2.192 -11.067 100 HD1 PHE 11 HD2 PHE 11 -8.390 4.364 -12.996 101 HD2 PHE 11 HD1 PHE 11 -5.253 2.339 -10.953 102 HE1 PHE 11 HE2 PHE 11 -6.847 4.908 -14.834 103 HE2 PHE 11 HE1 PHE 11 -3.704 2.880 -12.787 104 HZ PHE 11 HZ PHE 11 -4.501 4.165 -14.731 105 H GLY 12 H GLY 12 -8.903 3.720 -7.787 106 HA2 GLY 12 2HA GLY 12 -11.681 2.741 -7.994 107 HA3 GLY 12 3HA GLY 12 -10.526 2.195 -6.787 108 H LYS 13 H LYS 13 -11.309 5.490 -7.847 109 HA LYS 13 HA LYS 13 -11.484 6.388 -5.128 110 HB2 LYS 13 2HB LYS 13 -10.585 7.964 -6.629 111 HB3 LYS 13 3HB LYS 13 -11.868 7.708 -7.803 112 HG2 LYS 13 2HG LYS 13 -12.746 8.706 -5.182 113 HG3 LYS 13 3HG LYS 13 -11.741 9.811 -6.123 114 HD2 LYS 13 2HD LYS 13 -13.710 8.583 -7.816 115 HD3 LYS 13 3HD LYS 13 -14.491 9.317 -6.414 116 HE2 LYS 13 2HE LYS 13 -13.478 11.439 -6.888 117 HE3 LYS 13 3HE LYS 13 -12.490 10.734 -8.167 118 HZ1 LYS 13 3HZ LYS 13 -15.361 10.393 -8.447 119 HZ2 LYS 13 1HZ LYS 13 -14.193 10.756 -9.616 120 HZ3 LYS 13 2HZ LYS 13 -14.793 11.978 -8.612 121 H ASN 14 H ASN 14 -13.720 5.333 -7.559 122 HA ASN 14 HA ASN 14 -16.021 6.386 -6.119 123 HB2 ASN 14 2HB ASN 14 -15.758 6.278 -8.694 124 HB3 ASN 14 3HB ASN 14 -16.164 4.574 -8.515 125 HD21 ASN 14 1HD2 ASN 14 -17.573 6.890 -9.762 126 HD22 ASN 14 2HD2 ASN 14 -19.150 6.876 -9.057 127 H LYS 15 H LYS 15 -14.685 4.686 -4.500 128 HA LYS 15 HA LYS 15 -15.403 1.976 -4.644 129 HB2 LYS 15 2HB LYS 15 -14.689 1.808 -2.376 130 HB3 LYS 15 3HB LYS 15 -13.643 2.987 -3.155 131 HG2 LYS 15 2HG LYS 15 -15.377 4.702 -2.208 132 HG3 LYS 15 3HG LYS 15 -15.746 3.390 -1.087 133 HD2 LYS 15 2HD LYS 15 -14.024 4.101 0.138 134 HD3 LYS 15 3HD LYS 15 -12.972 3.489 -1.140 135 HE2 LYS 15 2HE LYS 15 -13.332 5.755 -2.269 136 HE3 LYS 15 3HE LYS 15 -13.979 6.287 -0.718 137 HZ1 LYS 15 3HZ LYS 15 -11.443 6.531 -1.315 138 HZ2 LYS 15 1HZ LYS 15 -11.380 4.949 -0.718 139 HZ3 LYS 15 2HZ LYS 15 -11.950 6.202 0.265 140 H SER 16 H SER 16 -17.145 4.784 -3.563 141 HA SER 16 HA SER 16 -19.101 3.546 -1.977 142 HB2 SER 16 2HB SER 16 -18.883 5.937 -1.915 143 HB3 SER 16 3HB SER 16 -19.198 6.067 -3.645 144 HG SER 16 HG SER 16 -20.952 6.190 -1.710 145 H ARG 17 H ARG 17 -19.653 4.829 -5.256 146 HA ARG 17 HA ARG 17 -21.723 2.801 -5.643 147 HB2 ARG 17 2HB ARG 17 -21.049 5.370 -7.060 148 HB3 ARG 17 3HB ARG 17 -22.160 4.198 -7.756 149 HG2 ARG 17 2HG ARG 17 -22.490 5.531 -5.076 150 HG3 ARG 17 3HG ARG 17 -23.321 5.992 -6.562 151 HD2 ARG 17 2HD ARG 17 -24.033 3.467 -6.573 152 HD3 ARG 17 3HD ARG 17 -23.683 3.578 -4.848 153 HE ARG 17 HE ARG 17 -25.291 5.721 -5.350 154 HH11 ARG 17 1HH1 ARG 17 -25.546 2.288 -5.867 155 HH12 ARG 17 2HH1 ARG 17 -27.270 2.259 -5.704 156 HH21 ARG 17 1HH2 ARG 17 -27.562 5.697 -5.133 157 HH22 ARG 17 2HH2 ARG 17 -28.416 4.199 -5.287 Start of MODEL 4 1 H1 TRP 1 H TRP 1 2.407 0.666 1.125 2 HA TRP 1 HA TRP 1 3.432 0.246 -0.861 3 HB2 TRP 1 2HB TRP 1 1.423 -1.410 -0.856 4 HB3 TRP 1 3HB TRP 1 0.751 -0.339 -2.081 5 HD1 TRP 1 HD1 TRP 1 4.433 -1.502 -1.759 6 HE1 TRP 1 HE1 TRP 1 5.089 -2.673 -3.955 7 HE3 TRP 1 HE3 TRP 1 -0.088 -1.352 -4.142 8 HZ2 TRP 1 HZ2 TRP 1 3.854 -3.432 -6.377 9 HZ3 TRP 1 HZ3 TRP 1 -0.266 -2.321 -6.396 10 HH2 TRP 1 HH2 TRP 1 1.666 -3.339 -7.489 11 H LYS 2 H LYS 2 4.259 2.005 -1.789 12 HA LYS 2 HA LYS 2 2.959 4.330 -2.500 13 HB2 LYS 2 2HB LYS 2 4.915 4.642 -4.119 14 HB3 LYS 2 3HB LYS 2 5.307 4.414 -2.420 15 HG2 LYS 2 2HG LYS 2 6.520 2.616 -2.871 16 HG3 LYS 2 3HG LYS 2 5.201 1.883 -3.787 17 HD2 LYS 2 2HD LYS 2 6.993 2.106 -5.308 18 HD3 LYS 2 3HD LYS 2 5.870 3.410 -5.699 19 HE2 LYS 2 2HE LYS 2 7.483 4.598 -3.850 20 HE3 LYS 2 3HE LYS 2 8.613 3.521 -4.669 21 HZ1 LYS 2 3HZ LYS 2 6.969 5.677 -5.860 22 HZ2 LYS 2 1HZ LYS 2 7.728 4.492 -6.799 23 HZ3 LYS 2 2HZ LYS 2 8.655 5.538 -5.846 24 H LEU 3 H LEU 3 3.047 1.304 -4.166 25 HA LEU 3 HA LEU 3 2.275 2.317 -6.730 26 HB2 LEU 3 2HB LEU 3 3.009 -0.197 -5.594 27 HB3 LEU 3 3HB LEU 3 1.488 -0.386 -6.464 28 HG LEU 3 HG LEU 3 3.220 -0.948 -7.976 29 HD11 LEU 3 1HD1 LEU 3 2.047 0.127 -9.522 30 HD12 LEU 3 2HD1 LEU 3 3.113 1.513 -9.293 31 HD13 LEU 3 3HD1 LEU 3 1.607 1.399 -8.382 32 HD21 LEU 3 3HD2 LEU 3 5.121 0.472 -8.448 33 HD22 LEU 3 1HD2 LEU 3 5.063 0.105 -6.724 34 HD23 LEU 3 2HD2 LEU 3 4.535 1.684 -7.307 35 H LEU 4 H LEU 4 0.585 0.934 -3.957 36 HA LEU 4 HA LEU 4 -1.983 1.072 -5.282 37 HB2 LEU 4 2HB LEU 4 -0.893 -0.125 -2.878 38 HB3 LEU 4 3HB LEU 4 -2.434 0.673 -2.573 39 HG LEU 4 HG LEU 4 -3.605 -0.922 -3.627 40 HD11 LEU 4 1HD1 LEU 4 -1.398 -0.883 -5.656 41 HD12 LEU 4 2HD1 LEU 4 -3.083 -0.396 -5.839 42 HD13 LEU 4 3HD1 LEU 4 -2.670 -2.105 -5.697 43 HD21 LEU 4 3HD2 LEU 4 -2.864 -2.867 -2.838 44 HD22 LEU 4 1HD2 LEU 4 -1.392 -2.015 -2.369 45 HD23 LEU 4 2HD2 LEU 4 -1.468 -2.857 -3.917 46 H SER 5 H SER 5 -0.089 2.981 -3.074 47 HA SER 5 HA SER 5 -2.253 4.651 -2.209 48 HB2 SER 5 2HB SER 5 0.743 4.799 -1.952 49 HB3 SER 5 3HB SER 5 -0.283 6.137 -1.437 50 HG SER 5 HG SER 5 0.200 3.767 -0.213 51 H LYS 6 H LYS 6 -0.253 4.511 -4.975 52 HA LYS 6 HA LYS 6 -0.831 7.295 -5.693 53 HB2 LYS 6 2HB LYS 6 0.879 7.130 -7.329 54 HB3 LYS 6 3HB LYS 6 1.512 6.351 -5.884 55 HG2 LYS 6 2HG LYS 6 2.123 4.806 -7.423 56 HG3 LYS 6 3HG LYS 6 0.508 4.198 -7.054 57 HD2 LYS 6 2HD LYS 6 -0.254 4.662 -9.111 58 HD3 LYS 6 3HD LYS 6 0.536 6.240 -9.143 59 HE2 LYS 6 2HE LYS 6 2.260 5.458 -10.328 60 HE3 LYS 6 3HE LYS 6 2.434 4.046 -9.288 61 HZ1 LYS 6 3HZ LYS 6 1.208 2.775 -10.660 62 HZ2 LYS 6 1HZ LYS 6 1.666 3.912 -11.826 63 HZ3 LYS 6 2HZ LYS 6 0.151 4.026 -11.083 64 H ALA 7 H ALA 7 -1.757 4.058 -6.375 65 HA ALA 7 HA ALA 7 -3.105 4.840 -8.857 66 HB1 ALA 7 1HB ALA 7 -3.431 2.480 -9.255 67 HB2 ALA 7 2HB ALA 7 -1.737 2.787 -8.870 68 HB3 ALA 7 3HB ALA 7 -2.806 2.092 -7.652 69 H GLN 8 H GLN 8 -3.717 4.463 -5.558 70 HA GLN 8 HA GLN 8 -6.591 4.048 -6.026 71 HB2 GLN 8 2HB GLN 8 -5.451 2.442 -4.501 72 HB3 GLN 8 3HB GLN 8 -5.061 3.784 -3.433 73 HG2 GLN 8 2HG GLN 8 -7.202 4.002 -2.688 74 HG3 GLN 8 3HG GLN 8 -7.903 3.376 -4.180 75 HE21 GLN 8 1HE2 GLN 8 -8.823 1.477 -3.978 76 HE22 GLN 8 2HE2 GLN 8 -8.380 0.236 -2.861 77 H GLU 9 H GLU 9 -4.211 6.265 -4.845 78 HA GLU 9 HA GLU 9 -5.764 7.931 -3.239 79 HB2 GLU 9 2HB GLU 9 -3.451 8.325 -3.199 80 HB3 GLU 9 3HB GLU 9 -3.343 8.414 -4.951 81 HG2 GLU 9 2HG GLU 9 -3.937 10.588 -5.020 82 HG3 GLU 9 3HG GLU 9 -5.031 10.448 -3.645 83 H LYS 10 H LYS 10 -5.653 7.577 -6.690 84 HA LYS 10 HA LYS 10 -7.114 10.036 -7.178 85 HB2 LYS 10 2HB LYS 10 -6.856 9.572 -9.487 86 HB3 LYS 10 3HB LYS 10 -5.340 9.101 -8.730 87 HG2 LYS 10 2HG LYS 10 -6.012 6.768 -8.786 88 HG3 LYS 10 3HG LYS 10 -7.565 7.220 -9.493 89 HD2 LYS 10 2HD LYS 10 -4.859 7.695 -10.745 90 HD3 LYS 10 3HD LYS 10 -5.984 6.409 -11.189 91 HE2 LYS 10 2HE LYS 10 -7.642 8.434 -11.497 92 HE3 LYS 10 3HE LYS 10 -6.143 9.340 -11.696 93 HZ1 LYS 10 3HZ LYS 10 -6.654 6.867 -13.228 94 HZ2 LYS 10 1HZ LYS 10 -5.565 8.115 -13.569 95 HZ3 LYS 10 2HZ LYS 10 -7.226 8.365 -13.767 96 H PHE 11 H PHE 11 -8.128 7.492 -5.708 97 HA PHE 11 HA PHE 11 -10.661 7.297 -7.202 98 HB2 PHE 11 2HB PHE 11 -9.158 5.200 -5.647 99 HB3 PHE 11 3HB PHE 11 -10.875 5.038 -5.999 100 HD1 PHE 11 HD1 PHE 11 -7.562 5.486 -7.605 101 HD2 PHE 11 HD2 PHE 11 -11.592 4.190 -8.045 102 HE1 PHE 11 HE1 PHE 11 -7.014 4.544 -9.811 103 HE2 PHE 11 HE2 PHE 11 -11.051 3.244 -10.251 104 HZ PHE 11 HZ PHE 11 -8.759 3.420 -11.136 105 H GLY 12 H GLY 12 -9.806 9.182 -5.072 106 HA2 GLY 12 2HA GLY 12 -11.014 8.480 -2.614 107 HA3 GLY 12 3HA GLY 12 -10.639 10.112 -3.145 108 H LYS 13 H LYS 13 -12.311 9.766 -5.580 109 HA LYS 13 HA LYS 13 -14.938 10.053 -4.275 110 HB2 LYS 13 2HB LYS 13 -14.232 11.280 -6.926 111 HB3 LYS 13 3HB LYS 13 -15.516 11.733 -5.812 112 HG2 LYS 13 2HG LYS 13 -14.201 13.292 -4.963 113 HG3 LYS 13 3HG LYS 13 -13.080 12.040 -4.425 114 HD2 LYS 13 2HD LYS 13 -12.152 12.104 -6.810 115 HD3 LYS 13 3HD LYS 13 -13.047 13.616 -6.984 116 HE2 LYS 13 2HE LYS 13 -11.046 14.445 -6.271 117 HE3 LYS 13 3HE LYS 13 -11.820 14.180 -4.709 118 HZ1 LYS 13 3HZ LYS 13 -10.707 11.873 -4.880 119 HZ2 LYS 13 1HZ LYS 13 -9.769 13.206 -4.427 120 HZ3 LYS 13 2HZ LYS 13 -9.693 12.617 -6.010 121 H ASN 14 H ASN 14 -13.116 8.357 -6.621 122 HA ASN 14 HA ASN 14 -15.495 7.341 -7.978 123 HB2 ASN 14 2HB ASN 14 -13.369 8.028 -9.213 124 HB3 ASN 14 3HB ASN 14 -12.633 6.574 -8.546 125 HD21 ASN 14 1HD2 ASN 14 -12.392 6.155 -10.893 126 HD22 ASN 14 2HD2 ASN 14 -13.684 5.339 -11.700 127 H LYS 15 H LYS 15 -15.840 6.488 -5.584 128 HA LYS 15 HA LYS 15 -14.511 3.924 -5.170 129 HB2 LYS 15 2HB LYS 15 -16.401 5.568 -3.493 130 HB3 LYS 15 3HB LYS 15 -15.946 3.926 -3.057 131 HG2 LYS 15 2HG LYS 15 -13.854 4.520 -2.436 132 HG3 LYS 15 3HG LYS 15 -13.740 5.801 -3.645 133 HD2 LYS 15 2HD LYS 15 -13.873 7.051 -1.727 134 HD3 LYS 15 3HD LYS 15 -15.583 6.931 -2.146 135 HE2 LYS 15 2HE LYS 15 -16.054 5.573 -0.394 136 HE3 LYS 15 3HE LYS 15 -14.488 4.765 -0.462 137 HZ1 LYS 15 3HZ LYS 15 -14.548 7.563 0.388 138 HZ2 LYS 15 1HZ LYS 15 -13.528 6.307 0.880 139 HZ3 LYS 15 2HZ LYS 15 -15.106 6.398 1.480 140 H SER 16 H SER 16 -15.913 3.739 -7.431 141 HA SER 16 HA SER 16 -18.599 2.802 -6.957 142 HB2 SER 16 2HB SER 16 -18.731 2.469 -9.321 143 HB3 SER 16 3HB SER 16 -17.831 3.965 -9.074 144 HG SER 16 HG SER 16 -16.089 3.058 -9.863 145 H ARG 17 H ARG 17 -15.418 1.416 -7.345 146 HA ARG 17 HA ARG 17 -16.282 -1.266 -7.771 147 HB2 ARG 17 2HB ARG 17 -13.771 0.152 -7.530 148 HB3 ARG 17 3HB ARG 17 -13.728 -1.354 -6.623 149 HG2 ARG 17 2HG ARG 17 -12.902 -1.638 -8.902 150 HG3 ARG 17 3HG ARG 17 -14.355 -2.597 -8.609 151 HD2 ARG 17 2HD ARG 17 -15.639 -1.333 -10.009 152 HD3 ARG 17 3HD ARG 17 -14.704 0.133 -9.716 153 HE ARG 17 HE ARG 17 -13.459 -0.378 -11.552 154 HH11 ARG 17 1HH1 ARG 17 -14.942 -3.301 -10.378 155 HH12 ARG 17 2HH1 ARG 17 -14.359 -4.277 -11.686 156 HH21 ARG 17 1HH2 ARG 17 -12.686 -1.652 -13.279 157 HH22 ARG 17 2HH2 ARG 17 -13.075 -3.338 -13.335 Start of MODEL 5 1 H1 TRP 1 H TRP 1 0.032 -1.690 -1.540 2 HA TRP 1 HA TRP 1 2.942 -1.291 -1.590 3 HB2 TRP 1 2HB TRP 1 1.665 -2.809 -3.274 4 HB3 TRP 1 3HB TRP 1 1.195 -1.291 -4.033 5 HD1 TRP 1 HD1 TRP 1 4.675 -2.211 -2.598 6 HE1 TRP 1 HE1 TRP 1 6.402 -1.966 -4.491 7 HE3 TRP 1 HE3 TRP 1 1.507 -1.079 -6.447 8 HZ2 TRP 1 HZ2 TRP 1 6.419 -1.371 -7.250 9 HZ3 TRP 1 HZ3 TRP 1 2.459 -0.686 -8.682 10 HH2 TRP 1 HH2 TRP 1 4.865 -0.829 -9.073 11 H LYS 2 H LYS 2 3.476 0.739 -1.102 12 HA LYS 2 HA LYS 2 1.895 2.994 -1.197 13 HB2 LYS 2 2HB LYS 2 4.026 4.286 -1.231 14 HB3 LYS 2 3HB LYS 2 3.993 3.013 -0.018 15 HG2 LYS 2 2HG LYS 2 5.969 2.392 -0.819 16 HG3 LYS 2 3HG LYS 2 5.088 1.763 -2.213 17 HD2 LYS 2 2HD LYS 2 6.572 3.117 -3.294 18 HD3 LYS 2 3HD LYS 2 5.282 4.286 -3.005 19 HE2 LYS 2 2HE LYS 2 6.441 5.346 -1.315 20 HE3 LYS 2 3HE LYS 2 7.423 3.926 -0.957 21 HZ1 LYS 2 3HZ LYS 2 8.261 6.055 -2.371 22 HZ2 LYS 2 1HZ LYS 2 7.809 4.993 -3.608 23 HZ3 LYS 2 2HZ LYS 2 8.952 4.514 -2.458 24 H LEU 3 H LEU 3 3.500 1.366 -3.794 25 HA LEU 3 HA LEU 3 3.445 3.548 -5.642 26 HB2 LEU 3 2HB LEU 3 4.432 0.875 -5.575 27 HB3 LEU 3 3HB LEU 3 3.447 1.075 -7.023 28 HG LEU 3 HG LEU 3 5.677 1.532 -7.654 29 HD11 LEU 3 1HD1 LEU 3 5.309 4.310 -7.561 30 HD12 LEU 3 2HD1 LEU 3 3.696 3.603 -7.646 31 HD13 LEU 3 3HD1 LEU 3 4.897 3.209 -8.875 32 HD21 LEU 3 3HD2 LEU 3 5.917 3.582 -5.468 33 HD22 LEU 3 1HD2 LEU 3 7.188 2.921 -6.496 34 HD23 LEU 3 2HD2 LEU 3 6.435 1.907 -5.264 35 H LEU 4 H LEU 4 1.356 0.780 -4.969 36 HA LEU 4 HA LEU 4 -0.471 1.466 -7.102 37 HB2 LEU 4 2HB LEU 4 -0.034 -0.772 -5.312 38 HB3 LEU 4 3HB LEU 4 -1.742 -0.357 -5.442 39 HG LEU 4 HG LEU 4 -1.911 -1.194 -7.516 40 HD11 LEU 4 1HD1 LEU 4 0.770 0.059 -7.992 41 HD12 LEU 4 2HD1 LEU 4 -0.788 0.461 -8.712 42 HD13 LEU 4 3HD1 LEU 4 0.038 -1.026 -9.174 43 HD21 LEU 4 3HD2 LEU 4 0.654 -2.545 -7.596 44 HD22 LEU 4 1HD2 LEU 4 -0.973 -3.212 -7.458 45 HD23 LEU 4 2HD2 LEU 4 -0.117 -2.671 -6.014 46 H SER 5 H SER 5 -0.175 1.982 -3.672 47 HA SER 5 HA SER 5 -2.894 2.794 -3.267 48 HB2 SER 5 2HB SER 5 -0.388 2.961 -1.605 49 HB3 SER 5 3HB SER 5 -1.886 3.734 -1.084 50 HG SER 5 HG SER 5 -2.643 1.850 -0.555 51 H LYS 6 H LYS 6 -0.094 4.280 -4.523 52 HA LYS 6 HA LYS 6 -1.186 6.971 -4.083 53 HB2 LYS 6 2HB LYS 6 0.973 7.836 -4.519 54 HB3 LYS 6 3HB LYS 6 1.225 6.430 -3.492 55 HG2 LYS 6 2HG LYS 6 2.833 6.043 -5.043 56 HG3 LYS 6 3HG LYS 6 1.484 5.223 -5.833 57 HD2 LYS 6 2HD LYS 6 1.427 6.700 -7.521 58 HD3 LYS 6 3HD LYS 6 1.650 8.080 -6.441 59 HE2 LYS 6 2HE LYS 6 4.014 7.754 -6.397 60 HE3 LYS 6 3HE LYS 6 3.874 6.210 -7.236 61 HZ1 LYS 6 3HZ LYS 6 4.496 8.418 -8.496 62 HZ2 LYS 6 1HZ LYS 6 2.814 8.582 -8.575 63 HZ3 LYS 6 2HZ LYS 6 3.562 7.215 -9.232 64 H ALA 7 H ALA 7 -0.780 4.546 -6.457 65 HA ALA 7 HA ALA 7 -1.202 6.448 -8.650 66 HB1 ALA 7 1HB ALA 7 -0.589 3.500 -8.807 67 HB2 ALA 7 2HB ALA 7 -0.610 4.649 -10.145 68 HB3 ALA 7 3HB ALA 7 0.614 4.787 -8.883 69 H GLN 8 H GLN 8 -2.908 4.357 -6.625 70 HA GLN 8 HA GLN 8 -5.118 4.138 -8.559 71 HB2 GLN 8 2HB GLN 8 -4.629 2.494 -6.070 72 HB3 GLN 8 3HB GLN 8 -5.945 2.270 -7.214 73 HG2 GLN 8 2HG GLN 8 -4.419 1.608 -8.935 74 HG3 GLN 8 3HG GLN 8 -3.034 2.005 -7.920 75 HE21 GLN 8 1HE2 GLN 8 -4.345 -0.516 -9.193 76 HE22 GLN 8 2HE2 GLN 8 -4.230 -1.680 -7.922 77 H GLU 9 H GLU 9 -4.120 5.405 -5.506 78 HA GLU 9 HA GLU 9 -6.572 5.796 -4.238 79 HB2 GLU 9 2HB GLU 9 -4.710 6.231 -2.908 80 HB3 GLU 9 3HB GLU 9 -3.940 7.225 -4.137 81 HG2 GLU 9 2HG GLU 9 -5.406 9.041 -3.710 82 HG3 GLU 9 3HG GLU 9 -6.440 8.045 -2.686 83 H LYS 10 H LYS 10 -5.180 7.385 -6.969 84 HA LYS 10 HA LYS 10 -6.922 9.690 -6.817 85 HB2 LYS 10 2HB LYS 10 -5.829 10.460 -8.787 86 HB3 LYS 10 3HB LYS 10 -4.586 9.750 -7.765 87 HG2 LYS 10 2HG LYS 10 -5.639 7.741 -9.501 88 HG3 LYS 10 3HG LYS 10 -5.176 9.157 -10.448 89 HD2 LYS 10 2HD LYS 10 -3.386 7.864 -8.397 90 HD3 LYS 10 3HD LYS 10 -3.359 7.453 -10.113 91 HE2 LYS 10 2HE LYS 10 -2.318 9.372 -10.688 92 HE3 LYS 10 3HE LYS 10 -3.194 10.327 -9.493 93 HZ1 LYS 10 3HZ LYS 10 -0.648 8.949 -9.259 94 HZ2 LYS 10 1HZ LYS 10 -1.660 8.851 -7.906 95 HZ3 LYS 10 2HZ LYS 10 -1.190 10.362 -8.503 96 H PHE 11 H PHE 11 -7.674 6.666 -7.340 97 HA PHE 11 HA PHE 11 -9.556 7.271 -9.525 98 HB2 PHE 11 2HB PHE 11 -8.166 4.671 -8.868 99 HB3 PHE 11 3HB PHE 11 -9.530 4.785 -9.975 100 HD1 PHE 11 HD2 PHE 11 -8.968 7.202 -11.477 101 HD2 PHE 11 HD1 PHE 11 -6.315 4.154 -10.138 102 HE1 PHE 11 HE2 PHE 11 -7.428 7.738 -13.320 103 HE2 PHE 11 HE1 PHE 11 -4.770 4.686 -11.978 104 HZ PHE 11 HZ PHE 11 -5.326 6.479 -13.573 105 H GLY 12 H GLY 12 -9.791 7.564 -6.564 106 HA2 GLY 12 2HA GLY 12 -11.882 5.577 -5.992 107 HA3 GLY 12 3HA GLY 12 -11.071 6.579 -4.798 108 H LYS 13 H LYS 13 -13.035 7.027 -7.743 109 HA LYS 13 HA LYS 13 -14.466 9.180 -6.330 110 HB2 LYS 13 2HB LYS 13 -14.575 8.902 -9.301 111 HB3 LYS 13 3HB LYS 13 -14.691 10.349 -8.309 112 HG2 LYS 13 2HG LYS 13 -12.605 10.743 -8.994 113 HG3 LYS 13 3HG LYS 13 -12.145 9.534 -7.793 114 HD2 LYS 13 2HD LYS 13 -11.165 8.482 -9.516 115 HD3 LYS 13 3HD LYS 13 -12.802 7.979 -9.942 116 HE2 LYS 13 2HE LYS 13 -11.545 10.528 -10.935 117 HE3 LYS 13 3HE LYS 13 -11.442 8.999 -11.806 118 HZ1 LYS 13 3HZ LYS 13 -13.276 9.967 -12.755 119 HZ2 LYS 13 1HZ LYS 13 -13.788 10.701 -11.319 120 HZ3 LYS 13 2HZ LYS 13 -14.006 9.039 -11.543 121 H ASN 14 H ASN 14 -14.745 6.112 -7.829 122 HA ASN 14 HA ASN 14 -17.684 6.295 -7.710 123 HB2 ASN 14 2HB ASN 14 -17.698 4.408 -9.341 124 HB3 ASN 14 3HB ASN 14 -16.957 5.874 -9.978 125 HD21 ASN 14 1HD2 ASN 14 -16.425 2.621 -8.908 126 HD22 ASN 14 2HD2 ASN 14 -14.813 2.468 -9.511 127 H LYS 15 H LYS 15 -16.145 5.794 -5.412 128 HA LYS 15 HA LYS 15 -16.767 2.958 -4.901 129 HB2 LYS 15 2HB LYS 15 -15.007 3.028 -3.154 130 HB3 LYS 15 3HB LYS 15 -14.378 3.305 -4.773 131 HG2 LYS 15 2HG LYS 15 -13.381 5.117 -3.987 132 HG3 LYS 15 3HG LYS 15 -14.979 5.842 -3.794 133 HD2 LYS 15 2HD LYS 15 -14.289 6.033 -1.642 134 HD3 LYS 15 3HD LYS 15 -14.893 4.376 -1.553 135 HE2 LYS 15 2HE LYS 15 -12.621 3.549 -2.011 136 HE3 LYS 15 3HE LYS 15 -12.034 5.211 -2.041 137 HZ1 LYS 15 3HZ LYS 15 -12.602 5.471 0.249 138 HZ2 LYS 15 1HZ LYS 15 -11.679 4.061 0.102 139 HZ3 LYS 15 2HZ LYS 15 -13.355 3.957 0.303 140 H SER 16 H SER 16 -18.558 5.241 -4.661 141 HA SER 16 HA SER 16 -19.031 5.169 -1.752 142 HB2 SER 16 2HB SER 16 -20.097 7.371 -1.953 143 HB3 SER 16 3HB SER 16 -18.431 7.429 -2.529 144 HG SER 16 HG SER 16 -20.785 7.807 -3.897 145 H ARG 17 H ARG 17 -19.954 3.309 -3.831 146 HA ARG 17 HA ARG 17 -22.774 3.866 -4.165 147 HB2 ARG 17 2HB ARG 17 -22.864 1.890 -5.476 148 HB3 ARG 17 3HB ARG 17 -21.342 2.675 -5.875 149 HG2 ARG 17 2HG ARG 17 -20.310 1.117 -4.114 150 HG3 ARG 17 3HG ARG 17 -21.812 0.202 -4.258 151 HD2 ARG 17 2HD ARG 17 -20.742 0.865 -6.855 152 HD3 ARG 17 3HD ARG 17 -19.550 0.006 -5.879 153 HE ARG 17 HE ARG 17 -21.925 -1.078 -7.034 154 HH11 ARG 17 1HH1 ARG 17 -19.735 -1.344 -4.341 155 HH12 ARG 17 2HH1 ARG 17 -20.087 -3.016 -4.052 156 HH21 ARG 17 1HH2 ARG 17 -22.396 -3.279 -6.664 157 HH22 ARG 17 2HH2 ARG 17 -21.600 -4.116 -5.375 Start of MODEL 6 1 H1 TRP 1 H TRP 1 3.588 1.995 0.944 2 HA TRP 1 HA TRP 1 5.065 1.434 -0.885 3 HB2 TRP 1 2HB TRP 1 3.691 -0.763 -1.130 4 HB3 TRP 1 3HB TRP 1 2.727 0.163 -2.277 5 HD1 TRP 1 HD1 TRP 1 6.584 0.198 -1.898 6 HE1 TRP 1 HE1 TRP 1 7.609 -0.468 -4.163 7 HE3 TRP 1 HE3 TRP 1 2.284 -0.841 -4.461 8 HZ2 TRP 1 HZ2 TRP 1 6.713 -1.320 -6.701 9 HZ3 TRP 1 HZ3 TRP 1 2.455 -1.575 -6.803 10 HH2 TRP 1 HH2 TRP 1 4.625 -1.808 -7.898 11 H LYS 2 H LYS 2 5.298 3.453 -1.600 12 HA LYS 2 HA LYS 2 3.333 5.308 -2.146 13 HB2 LYS 2 2HB LYS 2 5.043 6.522 -3.448 14 HB3 LYS 2 3HB LYS 2 5.668 5.932 -1.914 15 HG2 LYS 2 2HG LYS 2 7.385 5.219 -3.160 16 HG3 LYS 2 3HG LYS 2 6.311 3.872 -3.544 17 HD2 LYS 2 2HD LYS 2 7.128 4.639 -5.618 18 HD3 LYS 2 3HD LYS 2 5.488 5.280 -5.493 19 HE2 LYS 2 2HE LYS 2 6.970 6.997 -6.323 20 HE3 LYS 2 3HE LYS 2 6.418 7.424 -4.704 21 HZ1 LYS 2 3HZ LYS 2 8.880 7.706 -5.240 22 HZ2 LYS 2 1HZ LYS 2 8.983 6.021 -5.124 23 HZ3 LYS 2 2HZ LYS 2 8.482 6.932 -3.790 24 H LEU 3 H LEU 3 4.406 2.658 -4.087 25 HA LEU 3 HA LEU 3 3.386 3.638 -6.576 26 HB2 LEU 3 2HB LEU 3 4.870 1.382 -5.652 27 HB3 LEU 3 3HB LEU 3 3.500 0.812 -6.603 28 HG LEU 3 HG LEU 3 5.334 0.988 -8.086 29 HD11 LEU 3 1HD1 LEU 3 3.921 1.812 -9.582 30 HD12 LEU 3 2HD1 LEU 3 4.459 3.432 -9.140 31 HD13 LEU 3 3HD1 LEU 3 3.060 2.718 -8.338 32 HD21 LEU 3 3HD2 LEU 3 5.746 3.809 -7.102 33 HD22 LEU 3 1HD2 LEU 3 6.694 2.975 -8.334 34 HD23 LEU 3 2HD2 LEU 3 6.740 2.420 -6.660 35 H LEU 4 H LEU 4 2.189 1.508 -4.029 36 HA LEU 4 HA LEU 4 -0.271 0.966 -5.453 37 HB2 LEU 4 2HB LEU 4 1.112 -0.072 -3.126 38 HB3 LEU 4 3HB LEU 4 -0.608 0.162 -2.818 39 HG LEU 4 HG LEU 4 -1.195 -1.600 -4.074 40 HD11 LEU 4 1HD1 LEU 4 0.914 -0.654 -5.983 41 HD12 LEU 4 2HD1 LEU 4 -0.835 -0.707 -6.198 42 HD13 LEU 4 3HD1 LEU 4 0.099 -2.203 -6.201 43 HD21 LEU 4 3HD2 LEU 4 0.117 -3.286 -3.443 44 HD22 LEU 4 1HD2 LEU 4 1.230 -2.067 -2.820 45 HD23 LEU 4 2HD2 LEU 4 1.455 -2.718 -4.444 46 H SER 5 H SER 5 0.884 3.131 -2.986 47 HA SER 5 HA SER 5 -1.711 3.931 -2.066 48 HB2 SER 5 2HB SER 5 1.077 4.992 -1.659 49 HB3 SER 5 3HB SER 5 -0.330 5.873 -1.065 50 HG SER 5 HG SER 5 0.469 3.239 -0.381 51 H LYS 6 H LYS 6 0.265 4.722 -4.738 52 HA LYS 6 HA LYS 6 -1.162 7.239 -5.213 53 HB2 LYS 6 2HB LYS 6 0.532 7.798 -6.775 54 HB3 LYS 6 3HB LYS 6 1.362 7.111 -5.385 55 HG2 LYS 6 2HG LYS 6 2.454 6.011 -7.037 56 HG3 LYS 6 3HG LYS 6 1.113 4.887 -6.801 57 HD2 LYS 6 2HD LYS 6 0.276 5.295 -8.839 58 HD3 LYS 6 3HD LYS 6 0.504 7.038 -8.678 59 HE2 LYS 6 2HE LYS 6 2.523 7.000 -9.698 60 HE3 LYS 6 3HE LYS 6 2.959 5.436 -9.013 61 HZ1 LYS 6 3HZ LYS 6 2.687 5.247 -11.381 62 HZ2 LYS 6 1HZ LYS 6 1.130 5.903 -11.305 63 HZ3 LYS 6 2HZ LYS 6 1.444 4.391 -10.616 64 H ALA 7 H ALA 7 -0.998 3.966 -6.241 65 HA ALA 7 HA ALA 7 -2.491 4.539 -8.697 66 HB1 ALA 7 1HB ALA 7 -1.349 1.915 -7.747 67 HB2 ALA 7 2HB ALA 7 -2.040 2.254 -9.334 68 HB3 ALA 7 3HB ALA 7 -0.539 3.037 -8.841 69 H GLN 8 H GLN 8 -2.995 3.643 -5.481 70 HA GLN 8 HA GLN 8 -5.582 2.396 -6.119 71 HB2 GLN 8 2HB GLN 8 -4.012 1.072 -4.711 72 HB3 GLN 8 3HB GLN 8 -4.074 2.345 -3.500 73 HG2 GLN 8 2HG GLN 8 -6.180 1.801 -2.827 74 HG3 GLN 8 3HG GLN 8 -6.638 1.158 -4.403 75 HE21 GLN 8 1HE2 GLN 8 -7.510 -0.465 -2.760 76 HE22 GLN 8 2HE2 GLN 8 -6.482 -1.808 -2.408 77 H GLU 9 H GLU 9 -4.044 5.110 -4.627 78 HA GLU 9 HA GLU 9 -6.057 6.020 -2.929 79 HB2 GLU 9 2HB GLU 9 -4.006 7.132 -2.749 80 HB3 GLU 9 3HB GLU 9 -3.897 7.409 -4.482 81 HG2 GLU 9 2HG GLU 9 -5.659 9.062 -4.360 82 HG3 GLU 9 3HG GLU 9 -5.862 8.748 -2.638 83 H LYS 10 H LYS 10 -5.795 6.127 -6.396 84 HA LYS 10 HA LYS 10 -7.992 8.002 -6.680 85 HB2 LYS 10 2HB LYS 10 -7.652 7.603 -9.126 86 HB3 LYS 10 3HB LYS 10 -6.225 8.201 -8.290 87 HG2 LYS 10 2HG LYS 10 -5.036 6.388 -8.800 88 HG3 LYS 10 3HG LYS 10 -6.354 5.296 -8.369 89 HD2 LYS 10 2HD LYS 10 -6.244 4.883 -10.612 90 HD3 LYS 10 3HD LYS 10 -7.379 6.235 -10.625 91 HE2 LYS 10 2HE LYS 10 -5.635 7.775 -11.188 92 HE3 LYS 10 3HE LYS 10 -4.399 6.539 -10.958 93 HZ1 LYS 10 3HZ LYS 10 -4.954 5.493 -12.912 94 HZ2 LYS 10 1HZ LYS 10 -5.209 7.113 -13.329 95 HZ3 LYS 10 2HZ LYS 10 -6.525 6.120 -12.948 96 H PHE 11 H PHE 11 -8.114 5.108 -5.566 97 HA PHE 11 HA PHE 11 -10.403 4.263 -7.218 98 HB2 PHE 11 2HB PHE 11 -8.276 2.634 -5.853 99 HB3 PHE 11 3HB PHE 11 -9.847 1.935 -6.229 100 HD1 PHE 11 HD1 PHE 11 -6.738 3.276 -7.622 101 HD2 PHE 11 HD2 PHE 11 -10.488 1.462 -8.496 102 HE1 PHE 11 HE1 PHE 11 -5.970 2.798 -9.910 103 HE2 PHE 11 HE2 PHE 11 -9.725 0.980 -10.785 104 HZ PHE 11 HZ PHE 11 -7.464 1.648 -11.495 105 H GLY 12 H GLY 12 -10.362 6.072 -4.910 106 HA2 GLY 12 2HA GLY 12 -11.698 4.465 -2.847 107 HA3 GLY 12 3HA GLY 12 -11.117 6.112 -2.652 108 H LYS 13 H LYS 13 -12.353 6.812 -5.310 109 HA LYS 13 HA LYS 13 -15.108 7.103 -4.314 110 HB2 LYS 13 2HB LYS 13 -14.009 8.835 -6.485 111 HB3 LYS 13 3HB LYS 13 -15.226 9.204 -5.270 112 HG2 LYS 13 2HG LYS 13 -13.605 10.371 -4.281 113 HG3 LYS 13 3HG LYS 13 -13.007 8.802 -3.736 114 HD2 LYS 13 2HD LYS 13 -11.129 9.126 -4.878 115 HD3 LYS 13 3HD LYS 13 -12.057 9.226 -6.376 116 HE2 LYS 13 2HE LYS 13 -12.507 11.664 -5.676 117 HE3 LYS 13 3HE LYS 13 -11.164 11.437 -4.557 118 HZ1 LYS 13 3HZ LYS 13 -11.118 11.850 -7.385 119 HZ2 LYS 13 1HZ LYS 13 -10.224 10.487 -6.934 120 HZ3 LYS 13 2HZ LYS 13 -9.867 11.995 -6.256 121 H ASN 14 H ASN 14 -13.160 5.815 -6.821 122 HA ASN 14 HA ASN 14 -15.411 5.533 -8.658 123 HB2 ASN 14 2HB ASN 14 -12.912 6.105 -9.266 124 HB3 ASN 14 3HB ASN 14 -12.712 4.357 -9.192 125 HD21 ASN 14 1HD2 ASN 14 -12.212 5.504 -11.527 126 HD22 ASN 14 2HD2 ASN 14 -13.473 5.198 -12.667 127 H LYS 15 H LYS 15 -16.173 4.176 -6.593 128 HA LYS 15 HA LYS 15 -15.401 1.369 -7.040 129 HB2 LYS 15 2HB LYS 15 -16.442 2.823 -4.624 130 HB3 LYS 15 3HB LYS 15 -16.603 1.077 -4.761 131 HG2 LYS 15 2HG LYS 15 -14.471 0.739 -4.226 132 HG3 LYS 15 3HG LYS 15 -13.908 1.987 -5.341 133 HD2 LYS 15 2HD LYS 15 -13.262 2.803 -3.260 134 HD3 LYS 15 3HD LYS 15 -14.781 3.647 -3.567 135 HE2 LYS 15 2HE LYS 15 -15.745 1.498 -2.313 136 HE3 LYS 15 3HE LYS 15 -14.137 1.534 -1.590 137 HZ1 LYS 15 3HZ LYS 15 -15.842 2.797 -0.338 138 HZ2 LYS 15 1HZ LYS 15 -15.978 3.861 -1.647 139 HZ3 LYS 15 2HZ LYS 15 -14.516 3.737 -0.805 140 H SER 16 H SER 16 -18.056 3.632 -6.943 141 HA SER 16 HA SER 16 -19.926 1.468 -7.637 142 HB2 SER 16 2HB SER 16 -20.180 3.456 -5.732 143 HB3 SER 16 3HB SER 16 -21.118 4.083 -7.088 144 HG SER 16 HG SER 16 -21.666 2.013 -5.399 145 H ARG 17 H ARG 17 -18.605 4.541 -8.660 146 HA ARG 17 HA ARG 17 -20.370 4.837 -10.905 147 HB2 ARG 17 2HB ARG 17 -17.713 6.208 -10.507 148 HB3 ARG 17 3HB ARG 17 -19.078 6.761 -11.468 149 HG2 ARG 17 2HG ARG 17 -19.051 6.506 -8.468 150 HG3 ARG 17 3HG ARG 17 -18.845 8.007 -9.374 151 HD2 ARG 17 2HD ARG 17 -21.045 8.247 -9.577 152 HD3 ARG 17 3HD ARG 17 -21.199 6.632 -10.268 153 HE ARG 17 HE ARG 17 -21.885 5.853 -8.223 154 HH11 ARG 17 1HH1 ARG 17 -20.505 9.027 -7.849 155 HH12 ARG 17 2HH1 ARG 17 -21.005 9.193 -6.198 156 HH21 ARG 17 1HH2 ARG 17 -22.550 6.059 -6.051 157 HH22 ARG 17 2HH2 ARG 17 -22.167 7.504 -5.176 Start of MODEL 7 1 H1 TRP 1 H TRP 1 3.175 -0.217 0.806 2 HA TRP 1 HA TRP 1 4.620 0.315 -0.867 3 HB2 TRP 1 2HB TRP 1 3.307 -1.666 -1.929 4 HB3 TRP 1 3HB TRP 1 2.542 -0.418 -2.909 5 HD1 TRP 1 HD1 TRP 1 6.285 -0.660 -1.935 6 HE1 TRP 1 HE1 TRP 1 7.667 -0.720 -4.105 7 HE3 TRP 1 HE3 TRP 1 2.462 -0.761 -5.327 8 HZ2 TRP 1 HZ2 TRP 1 7.198 -0.800 -6.888 9 HZ3 TRP 1 HZ3 TRP 1 3.014 -0.828 -7.724 10 HH2 TRP 1 HH2 TRP 1 5.333 -0.847 -8.486 11 H LYS 2 H LYS 2 4.964 2.440 -0.945 12 HA LYS 2 HA LYS 2 3.112 4.459 -1.254 13 HB2 LYS 2 2HB LYS 2 5.044 5.884 -1.958 14 HB3 LYS 2 3HB LYS 2 5.326 4.965 -0.485 15 HG2 LYS 2 2HG LYS 2 6.181 3.496 -2.820 16 HG3 LYS 2 3HG LYS 2 6.958 5.078 -2.725 17 HD2 LYS 2 2HD LYS 2 7.770 4.612 -0.515 18 HD3 LYS 2 3HD LYS 2 6.844 3.111 -0.441 19 HE2 LYS 2 2HE LYS 2 9.165 2.618 -0.903 20 HE3 LYS 2 3HE LYS 2 8.182 2.226 -2.313 21 HZ1 LYS 2 3HZ LYS 2 9.847 4.658 -1.952 22 HZ2 LYS 2 1HZ LYS 2 8.840 4.367 -3.280 23 HZ3 LYS 2 2HZ LYS 2 10.171 3.364 -2.992 24 H LEU 3 H LEU 3 4.491 2.400 -3.662 25 HA LEU 3 HA LEU 3 3.893 4.073 -5.908 26 HB2 LEU 3 2HB LEU 3 5.213 1.590 -5.428 27 HB3 LEU 3 3HB LEU 3 4.015 1.360 -6.701 28 HG LEU 3 HG LEU 3 6.059 1.857 -7.776 29 HD11 LEU 3 1HD1 LEU 3 3.854 3.684 -7.887 30 HD12 LEU 3 2HD1 LEU 3 4.912 3.127 -9.184 31 HD13 LEU 3 3HD1 LEU 3 5.361 4.536 -8.224 32 HD21 LEU 3 3HD2 LEU 3 7.443 3.772 -7.247 33 HD22 LEU 3 1HD2 LEU 3 7.218 2.778 -5.808 34 HD23 LEU 3 2HD2 LEU 3 6.309 4.278 -5.994 35 H LEU 4 H LEU 4 2.295 1.385 -4.274 36 HA LEU 4 HA LEU 4 0.104 1.363 -6.165 37 HB2 LEU 4 2HB LEU 4 1.088 -0.335 -4.032 38 HB3 LEU 4 3HB LEU 4 -0.659 -0.117 -3.943 39 HG LEU 4 HG LEU 4 -1.034 -1.439 -5.715 40 HD11 LEU 4 1HD1 LEU 4 1.357 -0.101 -6.933 41 HD12 LEU 4 2HD1 LEU 4 -0.335 -0.013 -7.424 42 HD13 LEU 4 3HD1 LEU 4 0.587 -1.492 -7.697 43 HD21 LEU 4 3HD2 LEU 4 1.155 -2.341 -4.279 44 HD22 LEU 4 1HD2 LEU 4 1.640 -2.529 -5.965 45 HD23 LEU 4 2HD2 LEU 4 0.159 -3.290 -5.383 46 H SER 5 H SER 5 0.835 2.713 -3.041 47 HA SER 5 HA SER 5 -1.878 3.346 -2.362 48 HB2 SER 5 2HB SER 5 0.803 4.119 -1.231 49 HB3 SER 5 3HB SER 5 -0.683 4.870 -0.649 50 HG SER 5 HG SER 5 -0.246 3.090 0.625 51 H LYS 6 H LYS 6 0.513 4.748 -4.357 52 HA LYS 6 HA LYS 6 -0.805 7.367 -4.323 53 HB2 LYS 6 2HB LYS 6 1.122 8.245 -5.391 54 HB3 LYS 6 3HB LYS 6 1.712 7.162 -4.137 55 HG2 LYS 6 2HG LYS 6 3.050 6.502 -5.843 56 HG3 LYS 6 3HG LYS 6 1.681 5.427 -6.137 57 HD2 LYS 6 2HD LYS 6 1.577 6.267 -8.197 58 HD3 LYS 6 3HD LYS 6 1.044 7.788 -7.476 59 HE2 LYS 6 2HE LYS 6 2.869 8.696 -8.384 60 HE3 LYS 6 3HE LYS 6 3.781 7.843 -7.140 61 HZ1 LYS 6 3HZ LYS 6 3.171 6.176 -9.382 62 HZ2 LYS 6 1HZ LYS 6 4.663 6.489 -8.646 63 HZ3 LYS 6 2HZ LYS 6 4.067 7.538 -9.832 64 H ALA 7 H ALA 7 -0.499 4.499 -6.190 65 HA ALA 7 HA ALA 7 -1.585 5.804 -8.581 66 HB1 ALA 7 1HB ALA 7 -1.029 3.781 -9.770 67 HB2 ALA 7 2HB ALA 7 0.372 4.316 -8.842 68 HB3 ALA 7 3HB ALA 7 -0.608 2.969 -8.262 69 H GLN 8 H GLN 8 -2.583 4.068 -5.864 70 HA GLN 8 HA GLN 8 -5.024 3.132 -7.210 71 HB2 GLN 8 2HB GLN 8 -3.694 1.440 -5.960 72 HB3 GLN 8 3HB GLN 8 -3.970 2.359 -4.486 73 HG2 GLN 8 2HG GLN 8 -6.182 1.769 -4.365 74 HG3 GLN 8 3HG GLN 8 -6.310 1.478 -6.099 75 HE21 GLN 8 1HE2 GLN 8 -7.438 -0.422 -4.905 76 HE22 GLN 8 2HE2 GLN 8 -6.461 -1.831 -4.698 77 H GLU 9 H GLU 9 -3.782 5.324 -4.844 78 HA GLU 9 HA GLU 9 -6.033 5.831 -3.295 79 HB2 GLU 9 2HB GLU 9 -5.037 8.137 -3.013 80 HB3 GLU 9 3HB GLU 9 -3.969 6.795 -2.627 81 HG2 GLU 9 2HG GLU 9 -2.780 7.051 -4.672 82 HG3 GLU 9 3HG GLU 9 -3.956 8.217 -5.275 83 H LYS 10 H LYS 10 -5.374 6.640 -6.583 84 HA LYS 10 HA LYS 10 -7.441 8.669 -6.727 85 HB2 LYS 10 2HB LYS 10 -6.806 8.922 -9.029 86 HB3 LYS 10 3HB LYS 10 -5.338 8.812 -8.067 87 HG2 LYS 10 2HG LYS 10 -5.179 6.413 -8.685 88 HG3 LYS 10 3HG LYS 10 -6.563 6.643 -9.757 89 HD2 LYS 10 2HD LYS 10 -3.931 8.110 -9.937 90 HD3 LYS 10 3HD LYS 10 -4.440 6.776 -10.976 91 HE2 LYS 10 2HE LYS 10 -5.265 8.339 -12.338 92 HE3 LYS 10 3HE LYS 10 -6.542 8.551 -11.141 93 HZ1 LYS 10 3HZ LYS 10 -4.283 10.263 -11.761 94 HZ2 LYS 10 1HZ LYS 10 -4.637 10.098 -10.115 95 HZ3 LYS 10 2HZ LYS 10 -5.821 10.665 -11.182 96 H PHE 11 H PHE 11 -7.869 5.676 -6.136 97 HA PHE 11 HA PHE 11 -9.973 5.263 -8.158 98 HB2 PHE 11 2HB PHE 11 -8.222 3.239 -6.761 99 HB3 PHE 11 3HB PHE 11 -9.696 2.795 -7.614 100 HD1 PHE 11 HD2 PHE 11 -6.583 4.770 -8.195 101 HD2 PHE 11 HD1 PHE 11 -9.495 2.106 -9.789 102 HE1 PHE 11 HE2 PHE 11 -5.323 4.661 -10.305 103 HE2 PHE 11 HE1 PHE 11 -8.238 1.991 -11.902 104 HZ PHE 11 HZ PHE 11 -6.150 3.271 -12.162 105 H GLY 12 H GLY 12 -10.276 6.752 -5.737 106 HA2 GLY 12 2HA GLY 12 -11.847 4.947 -4.030 107 HA3 GLY 12 3HA GLY 12 -11.290 6.552 -3.582 108 H LYS 13 H LYS 13 -12.207 7.417 -6.386 109 HA LYS 13 HA LYS 13 -14.792 8.323 -5.553 110 HB2 LYS 13 2HB LYS 13 -13.595 9.871 -6.850 111 HB3 LYS 13 3HB LYS 13 -13.143 8.661 -8.043 112 HG2 LYS 13 2HG LYS 13 -16.032 9.170 -7.745 113 HG3 LYS 13 3HG LYS 13 -15.070 10.483 -8.428 114 HD2 LYS 13 2HD LYS 13 -14.111 8.299 -9.772 115 HD3 LYS 13 3HD LYS 13 -15.820 7.900 -9.582 116 HE2 LYS 13 2HE LYS 13 -15.983 10.495 -10.338 117 HE3 LYS 13 3HE LYS 13 -14.526 9.995 -11.196 118 HZ1 LYS 13 3HZ LYS 13 -16.014 9.328 -12.724 119 HZ2 LYS 13 1HZ LYS 13 -17.286 9.204 -11.615 120 HZ3 LYS 13 2HZ LYS 13 -16.149 7.959 -11.740 121 H ASN 14 H ASN 14 -13.589 5.708 -7.481 122 HA ASN 14 HA ASN 14 -16.040 5.174 -8.861 123 HB2 ASN 14 2HB ASN 14 -13.408 4.330 -9.115 124 HB3 ASN 14 3HB ASN 14 -14.255 2.886 -8.565 125 HD21 ASN 14 1HD2 ASN 14 -16.343 2.450 -9.751 126 HD22 ASN 14 2HD2 ASN 14 -16.316 2.668 -11.465 127 H LYS 15 H LYS 15 -14.845 4.523 -5.728 128 HA LYS 15 HA LYS 15 -16.957 2.515 -5.292 129 HB2 LYS 15 2HB LYS 15 -14.404 2.956 -3.732 130 HB3 LYS 15 3HB LYS 15 -15.633 1.757 -3.351 131 HG2 LYS 15 2HG LYS 15 -14.944 0.344 -4.956 132 HG3 LYS 15 3HG LYS 15 -14.575 1.645 -6.091 133 HD2 LYS 15 2HD LYS 15 -12.432 1.858 -5.360 134 HD3 LYS 15 3HD LYS 15 -12.842 1.419 -3.699 135 HE2 LYS 15 2HE LYS 15 -11.667 -0.440 -4.330 136 HE3 LYS 15 3HE LYS 15 -13.296 -0.934 -4.789 137 HZ1 LYS 15 3HZ LYS 15 -11.224 0.188 -6.597 138 HZ2 LYS 15 1HZ LYS 15 -12.809 -0.182 -7.058 139 HZ3 LYS 15 2HZ LYS 15 -11.764 -1.415 -6.560 140 H SER 16 H SER 16 -17.805 5.076 -5.321 141 HA SER 16 HA SER 16 -17.746 6.211 -2.667 142 HB2 SER 16 2HB SER 16 -17.813 7.735 -4.547 143 HB3 SER 16 3HB SER 16 -19.285 6.981 -5.157 144 HG SER 16 HG SER 16 -18.928 8.710 -2.990 145 H ARG 17 H ARG 17 -20.183 4.694 -4.762 146 HA ARG 17 HA ARG 17 -21.937 4.412 -2.418 147 HB2 ARG 17 2HB ARG 17 -23.750 4.025 -4.051 148 HB3 ARG 17 3HB ARG 17 -22.976 5.589 -4.267 149 HG2 ARG 17 2HG ARG 17 -21.547 3.922 -5.940 150 HG3 ARG 17 3HG ARG 17 -23.213 3.362 -6.104 151 HD2 ARG 17 2HD ARG 17 -23.512 6.076 -6.172 152 HD3 ARG 17 3HD ARG 17 -21.964 5.859 -6.987 153 HE ARG 17 HE ARG 17 -23.837 4.032 -8.026 154 HH11 ARG 17 1HH1 ARG 17 -23.105 7.436 -8.009 155 HH12 ARG 17 2HH1 ARG 17 -23.822 7.730 -9.559 156 HH21 ARG 17 1HH2 ARG 17 -24.784 4.407 -10.067 157 HH22 ARG 17 2HH2 ARG 17 -24.777 6.007 -10.728 Start of MODEL 8 1 H1 TRP 1 H TRP 1 2.289 -0.747 0.356 2 HA TRP 1 HA TRP 1 3.875 0.167 -1.028 3 HB2 TRP 1 2HB TRP 1 2.620 -1.709 -2.323 4 HB3 TRP 1 3HB TRP 1 1.948 -0.382 -3.266 5 HD1 TRP 1 HD1 TRP 1 5.604 -0.763 -2.036 6 HE1 TRP 1 HE1 TRP 1 7.144 -0.699 -4.097 7 HE3 TRP 1 HE3 TRP 1 2.047 -0.554 -5.702 8 HZ2 TRP 1 HZ2 TRP 1 6.886 -0.575 -6.905 9 HZ3 TRP 1 HZ3 TRP 1 2.777 -0.465 -8.050 10 HH2 TRP 1 HH2 TRP 1 5.147 -0.475 -8.637 11 H LYS 2 H LYS 2 4.252 2.286 -0.920 12 HA LYS 2 HA LYS 2 2.463 4.358 -1.228 13 HB2 LYS 2 2HB LYS 2 4.479 5.781 -1.710 14 HB3 LYS 2 3HB LYS 2 4.602 4.791 -0.261 15 HG2 LYS 2 2HG LYS 2 5.640 3.485 -2.654 16 HG3 LYS 2 3HG LYS 2 6.487 4.975 -2.230 17 HD2 LYS 2 2HD LYS 2 6.440 3.939 0.183 18 HD3 LYS 2 3HD LYS 2 6.237 2.424 -0.700 19 HE2 LYS 2 2HE LYS 2 8.270 3.582 -2.083 20 HE3 LYS 2 3HE LYS 2 8.584 4.174 -0.452 21 HZ1 LYS 2 3HZ LYS 2 9.519 1.881 -1.280 22 HZ2 LYS 2 1HZ LYS 2 7.998 1.327 -0.787 23 HZ3 LYS 2 2HZ LYS 2 9.018 2.095 0.322 24 H LEU 3 H LEU 3 4.004 2.452 -3.667 25 HA LEU 3 HA LEU 3 3.605 4.285 -5.827 26 HB2 LEU 3 2HB LEU 3 4.846 1.754 -5.425 27 HB3 LEU 3 3HB LEU 3 3.730 1.617 -6.782 28 HG LEU 3 HG LEU 3 5.843 2.142 -7.697 29 HD11 LEU 3 1HD1 LEU 3 3.683 4.031 -7.820 30 HD12 LEU 3 2HD1 LEU 3 4.784 3.503 -9.091 31 HD13 LEU 3 3HD1 LEU 3 5.230 4.849 -8.042 32 HD21 LEU 3 3HD2 LEU 3 6.048 4.524 -5.868 33 HD22 LEU 3 1HD2 LEU 3 7.281 3.877 -6.950 34 HD23 LEU 3 2HD2 LEU 3 6.795 2.965 -5.520 35 H LEU 4 H LEU 4 1.840 1.514 -4.530 36 HA LEU 4 HA LEU 4 -0.201 1.685 -6.571 37 HB2 LEU 4 2HB LEU 4 0.579 -0.179 -4.493 38 HB3 LEU 4 3HB LEU 4 -1.165 0.074 -4.527 39 HG LEU 4 HG LEU 4 -1.421 -1.111 -6.414 40 HD11 LEU 4 1HD1 LEU 4 0.362 -1.069 -8.255 41 HD12 LEU 4 2HD1 LEU 4 1.085 0.251 -7.337 42 HD13 LEU 4 3HD1 LEU 4 -0.558 0.406 -7.959 43 HD21 LEU 4 3HD2 LEU 4 0.621 -2.168 -4.873 44 HD22 LEU 4 1HD2 LEU 4 1.244 -2.248 -6.521 45 HD23 LEU 4 2HD2 LEU 4 -0.295 -3.011 -6.123 46 H SER 5 H SER 5 0.304 2.782 -3.304 47 HA SER 5 HA SER 5 -2.438 3.438 -2.793 48 HB2 SER 5 2HB SER 5 0.157 4.102 -1.410 49 HB3 SER 5 3HB SER 5 -1.378 4.789 -0.878 50 HG SER 5 HG SER 5 -1.165 2.953 0.281 51 H LYS 6 H LYS 6 0.107 4.906 -4.521 52 HA LYS 6 HA LYS 6 -1.181 7.542 -4.411 53 HB2 LYS 6 2HB LYS 6 0.847 8.479 -5.193 54 HB3 LYS 6 3HB LYS 6 1.308 7.289 -3.983 55 HG2 LYS 6 2HG LYS 6 2.807 6.762 -5.600 56 HG3 LYS 6 3HG LYS 6 1.473 5.727 -6.114 57 HD2 LYS 6 2HD LYS 6 1.151 6.892 -8.004 58 HD3 LYS 6 3HD LYS 6 1.336 8.445 -7.185 59 HE2 LYS 6 2HE LYS 6 3.662 6.652 -7.839 60 HE3 LYS 6 3HE LYS 6 3.068 7.887 -8.947 61 HZ1 LYS 6 3HZ LYS 6 3.642 9.585 -7.460 62 HZ2 LYS 6 1HZ LYS 6 4.967 8.532 -7.435 63 HZ3 LYS 6 2HZ LYS 6 3.852 8.517 -6.164 64 H ALA 7 H ALA 7 -0.789 4.790 -6.391 65 HA ALA 7 HA ALA 7 -1.579 6.270 -8.802 66 HB1 ALA 7 1HB ALA 7 -0.935 4.307 -10.057 67 HB2 ALA 7 2HB ALA 7 0.379 4.781 -8.979 68 HB3 ALA 7 3HB ALA 7 -0.651 3.411 -8.564 69 H GLN 8 H GLN 8 -2.873 4.404 -6.314 70 HA GLN 8 HA GLN 8 -5.194 3.643 -7.957 71 HB2 GLN 8 2HB GLN 8 -4.332 2.520 -5.286 72 HB3 GLN 8 3HB GLN 8 -5.703 1.975 -6.243 73 HG2 GLN 8 2HG GLN 8 -3.029 1.950 -7.522 74 HG3 GLN 8 3HG GLN 8 -3.368 0.739 -6.286 75 HE21 GLN 8 1HE2 GLN 8 -5.479 -0.428 -6.584 76 HE22 GLN 8 2HE2 GLN 8 -5.894 -0.893 -8.196 77 H GLU 9 H GLU 9 -4.097 5.568 -5.326 78 HA GLU 9 HA GLU 9 -6.407 5.933 -3.833 79 HB2 GLU 9 2HB GLU 9 -5.447 8.234 -3.350 80 HB3 GLU 9 3HB GLU 9 -4.402 6.866 -2.996 81 HG2 GLU 9 2HG GLU 9 -3.089 7.254 -4.929 82 HG3 GLU 9 3HG GLU 9 -4.244 8.429 -5.556 83 H LYS 10 H LYS 10 -5.655 7.003 -7.021 84 HA LYS 10 HA LYS 10 -7.712 9.041 -7.078 85 HB2 LYS 10 2HB LYS 10 -7.084 9.261 -9.465 86 HB3 LYS 10 3HB LYS 10 -5.708 9.422 -8.380 87 HG2 LYS 10 2HG LYS 10 -4.656 7.873 -9.554 88 HG3 LYS 10 3HG LYS 10 -5.869 6.698 -9.039 89 HD2 LYS 10 2HD LYS 10 -6.004 6.542 -11.339 90 HD3 LYS 10 3HD LYS 10 -7.277 7.711 -10.983 91 HE2 LYS 10 2HE LYS 10 -6.287 9.165 -12.337 92 HE3 LYS 10 3HE LYS 10 -4.878 9.167 -11.277 93 HZ1 LYS 10 3HZ LYS 10 -3.749 8.239 -12.922 94 HZ2 LYS 10 1HZ LYS 10 -5.138 8.091 -13.876 95 HZ3 LYS 10 2HZ LYS 10 -4.718 6.859 -12.796 96 H PHE 11 H PHE 11 -8.166 6.013 -6.695 97 HA PHE 11 HA PHE 11 -10.247 5.758 -8.766 98 HB2 PHE 11 2HB PHE 11 -8.546 3.615 -7.487 99 HB3 PHE 11 3HB PHE 11 -9.992 3.264 -8.428 100 HD1 PHE 11 HD2 PHE 11 -9.753 5.219 -10.613 101 HD2 PHE 11 HD1 PHE 11 -6.802 2.774 -8.759 102 HE1 PHE 11 HE2 PHE 11 -8.419 5.267 -12.679 103 HE2 PHE 11 HE1 PHE 11 -5.463 2.820 -10.823 104 HZ PHE 11 HZ PHE 11 -6.271 4.067 -12.787 105 H GLY 12 H GLY 12 -10.524 7.053 -6.207 106 HA2 GLY 12 2HA GLY 12 -12.057 5.157 -4.594 107 HA3 GLY 12 3HA GLY 12 -11.627 6.799 -4.137 108 H LYS 13 H LYS 13 -13.220 5.641 -7.085 109 HA LYS 13 HA LYS 13 -15.540 7.310 -6.365 110 HB2 LYS 13 2HB LYS 13 -14.860 6.569 -9.193 111 HB3 LYS 13 3HB LYS 13 -15.822 7.919 -8.606 112 HG2 LYS 13 2HG LYS 13 -14.035 9.201 -8.843 113 HG3 LYS 13 3HG LYS 13 -13.281 8.307 -7.521 114 HD2 LYS 13 2HD LYS 13 -11.702 7.830 -9.051 115 HD3 LYS 13 3HD LYS 13 -12.859 6.618 -9.605 116 HE2 LYS 13 2HE LYS 13 -12.430 9.390 -10.705 117 HE3 LYS 13 3HE LYS 13 -12.108 7.855 -11.509 118 HZ1 LYS 13 3HZ LYS 13 -14.727 9.073 -10.876 119 HZ2 LYS 13 1HZ LYS 13 -14.577 7.428 -11.244 120 HZ3 LYS 13 2HZ LYS 13 -14.127 8.594 -12.384 121 H ASN 14 H ASN 14 -14.432 4.179 -7.193 122 HA ASN 14 HA ASN 14 -17.088 3.216 -7.905 123 HB2 ASN 14 2HB ASN 14 -14.323 2.106 -8.030 124 HB3 ASN 14 3HB ASN 14 -15.662 0.968 -7.903 125 HD21 ASN 14 1HD2 ASN 14 -16.768 0.466 -9.678 126 HD22 ASN 14 2HD2 ASN 14 -16.588 1.237 -11.214 127 H LYS 15 H LYS 15 -15.068 3.500 -5.167 128 HA LYS 15 HA LYS 15 -16.466 1.395 -3.699 129 HB2 LYS 15 2HB LYS 15 -14.249 3.210 -2.738 130 HB3 LYS 15 3HB LYS 15 -14.838 1.754 -1.946 131 HG2 LYS 15 2HG LYS 15 -13.483 1.832 -4.634 132 HG3 LYS 15 3HG LYS 15 -12.702 1.412 -3.108 133 HD2 LYS 15 2HD LYS 15 -15.039 -0.169 -3.327 134 HD3 LYS 15 3HD LYS 15 -14.197 -0.257 -4.876 135 HE2 LYS 15 2HE LYS 15 -12.236 -1.090 -3.879 136 HE3 LYS 15 3HE LYS 15 -12.766 -0.634 -2.261 137 HZ1 LYS 15 3HZ LYS 15 -13.742 -2.593 -2.017 138 HZ2 LYS 15 1HZ LYS 15 -13.079 -3.086 -3.494 139 HZ3 LYS 15 2HZ LYS 15 -14.628 -2.407 -3.446 140 H SER 16 H SER 16 -16.034 4.896 -3.719 141 HA SER 16 HA SER 16 -17.339 5.558 -1.364 142 HB2 SER 16 2HB SER 16 -16.179 6.994 -3.342 143 HB3 SER 16 3HB SER 16 -17.878 7.323 -3.681 144 HG SER 16 HG SER 16 -16.811 8.785 -2.162 145 H ARG 17 H ARG 17 -18.656 4.687 -4.497 146 HA ARG 17 HA ARG 17 -21.345 5.428 -3.906 147 HB2 ARG 17 2HB ARG 17 -20.294 3.480 -5.968 148 HB3 ARG 17 3HB ARG 17 -21.917 4.155 -5.925 149 HG2 ARG 17 2HG ARG 17 -19.367 5.703 -6.331 150 HG3 ARG 17 3HG ARG 17 -20.544 5.284 -7.576 151 HD2 ARG 17 2HD ARG 17 -22.036 6.519 -5.581 152 HD3 ARG 17 3HD ARG 17 -20.554 7.468 -5.678 153 HE ARG 17 HE ARG 17 -21.488 7.027 -8.277 154 HH11 ARG 17 1HH1 ARG 17 -22.402 8.738 -5.386 155 HH12 ARG 17 2HH1 ARG 17 -23.257 9.982 -6.236 156 HH21 ARG 17 1HH2 ARG 17 -22.611 8.659 -9.407 157 HH22 ARG 17 2HH2 ARG 17 -23.376 9.935 -8.523 Start of MODEL 9 1 H1 TRP 1 H TRP 1 1.990 -2.733 -1.577 2 HA TRP 1 HA TRP 1 3.639 -1.243 -2.075 3 HB2 TRP 1 2HB TRP 1 3.174 -2.486 -4.314 4 HB3 TRP 1 3HB TRP 1 2.458 -0.959 -4.822 5 HD1 TRP 1 HD1 TRP 1 5.717 -1.450 -2.783 6 HE1 TRP 1 HE1 TRP 1 7.638 -0.327 -4.077 7 HE3 TRP 1 HE3 TRP 1 3.154 -0.036 -6.975 8 HZ2 TRP 1 HZ2 TRP 1 8.016 0.985 -6.548 9 HZ3 TRP 1 HZ3 TRP 1 4.369 1.149 -8.756 10 HH2 TRP 1 HH2 TRP 1 6.750 1.649 -8.545 11 H LYS 2 H LYS 2 3.495 0.645 -1.049 12 HA LYS 2 HA LYS 2 1.398 2.435 -1.053 13 HB2 LYS 2 2HB LYS 2 3.067 4.126 -0.276 14 HB3 LYS 2 3HB LYS 2 3.127 2.604 0.602 15 HG2 LYS 2 2HG LYS 2 4.922 2.709 -1.700 16 HG3 LYS 2 3HG LYS 2 5.275 3.907 -0.453 17 HD2 LYS 2 2HD LYS 2 4.729 1.119 0.417 18 HD3 LYS 2 3HD LYS 2 6.274 1.448 -0.371 19 HE2 LYS 2 2HE LYS 2 6.490 1.660 2.037 20 HE3 LYS 2 3HE LYS 2 6.715 3.226 1.260 21 HZ1 LYS 2 3HZ LYS 2 5.304 3.332 3.253 22 HZ2 LYS 2 1HZ LYS 2 4.179 2.313 2.506 23 HZ3 LYS 2 2HZ LYS 2 4.490 3.846 1.862 24 H LEU 3 H LEU 3 3.840 1.958 -3.450 25 HA LEU 3 HA LEU 3 3.542 4.500 -4.735 26 HB2 LEU 3 2HB LEU 3 5.199 2.191 -4.997 27 HB3 LEU 3 3HB LEU 3 4.504 2.575 -6.570 28 HG LEU 3 HG LEU 3 6.603 3.658 -6.471 29 HD11 LEU 3 1HD1 LEU 3 5.646 5.396 -7.459 30 HD12 LEU 3 2HD1 LEU 3 5.474 6.153 -5.876 31 HD13 LEU 3 3HD1 LEU 3 4.165 5.168 -6.529 32 HD21 LEU 3 3HD2 LEU 3 7.289 5.122 -4.665 33 HD22 LEU 3 1HD2 LEU 3 6.906 3.519 -4.035 34 HD23 LEU 3 2HD2 LEU 3 5.761 4.845 -3.828 35 H LEU 4 H LEU 4 2.206 1.267 -5.206 36 HA LEU 4 HA LEU 4 0.712 2.079 -7.547 37 HB2 LEU 4 2HB LEU 4 1.407 -0.405 -6.225 38 HB3 LEU 4 3HB LEU 4 -0.293 -0.362 -6.687 39 HG LEU 4 HG LEU 4 0.169 -0.626 -8.865 40 HD11 LEU 4 1HD1 LEU 4 0.980 1.506 -9.354 41 HD12 LEU 4 2HD1 LEU 4 2.255 0.425 -9.915 42 HD13 LEU 4 3HD1 LEU 4 2.435 1.279 -8.383 43 HD21 LEU 4 3HD2 LEU 4 2.001 -2.003 -7.313 44 HD22 LEU 4 1HD2 LEU 4 2.979 -1.284 -8.593 45 HD23 LEU 4 2HD2 LEU 4 1.611 -2.317 -9.005 46 H SER 5 H SER 5 0.190 1.705 -4.126 47 HA SER 5 HA SER 5 -2.674 1.753 -4.269 48 HB2 SER 5 2HB SER 5 -0.680 1.995 -2.025 49 HB3 SER 5 3HB SER 5 -2.401 2.262 -1.749 50 HG SER 5 HG SER 5 -1.108 -0.046 -1.888 51 H LYS 6 H LYS 6 -0.199 4.102 -4.389 52 HA LYS 6 HA LYS 6 -2.034 6.265 -3.646 53 HB2 LYS 6 2HB LYS 6 -0.137 7.668 -3.412 54 HB3 LYS 6 3HB LYS 6 0.304 6.132 -2.677 55 HG2 LYS 6 2HG LYS 6 2.186 6.510 -3.882 56 HG3 LYS 6 3HG LYS 6 1.242 5.660 -5.108 57 HD2 LYS 6 2HD LYS 6 1.150 7.465 -6.423 58 HD3 LYS 6 3HD LYS 6 0.705 8.517 -5.077 59 HE2 LYS 6 2HE LYS 6 3.512 7.557 -5.217 60 HE3 LYS 6 3HE LYS 6 3.004 8.775 -6.386 61 HZ1 LYS 6 3HZ LYS 6 3.425 10.244 -4.790 62 HZ2 LYS 6 1HZ LYS 6 3.545 9.055 -3.593 63 HZ3 LYS 6 2HZ LYS 6 2.032 9.687 -4.008 64 H ALA 7 H ALA 7 -0.556 4.761 -6.358 65 HA ALA 7 HA ALA 7 -1.178 7.034 -8.102 66 HB1 ALA 7 1HB ALA 7 0.139 5.924 -9.789 67 HB2 ALA 7 2HB ALA 7 1.056 5.991 -8.283 68 HB3 ALA 7 3HB ALA 7 0.284 4.485 -8.779 69 H GLN 8 H GLN 8 -2.490 4.107 -7.047 70 HA GLN 8 HA GLN 8 -4.163 3.852 -9.451 71 HB2 GLN 8 2HB GLN 8 -2.901 1.834 -8.721 72 HB3 GLN 8 3HB GLN 8 -3.788 1.866 -7.203 73 HG2 GLN 8 2HG GLN 8 -5.712 1.107 -8.144 74 HG3 GLN 8 3HG GLN 8 -5.362 1.833 -9.712 75 HE21 GLN 8 1HE2 GLN 8 -4.356 -0.759 -7.535 76 HE22 GLN 8 2HE2 GLN 8 -3.890 -1.865 -8.778 77 H GLU 9 H GLU 9 -4.188 4.601 -6.075 78 HA GLU 9 HA GLU 9 -6.845 4.138 -5.407 79 HB2 GLU 9 2HB GLU 9 -6.523 6.022 -3.757 80 HB3 GLU 9 3HB GLU 9 -5.331 4.733 -3.675 81 HG2 GLU 9 2HG GLU 9 -3.700 6.063 -4.784 82 HG3 GLU 9 3HG GLU 9 -4.890 7.306 -5.164 83 H LYS 10 H LYS 10 -5.472 6.509 -7.490 84 HA LYS 10 HA LYS 10 -7.777 8.261 -7.413 85 HB2 LYS 10 2HB LYS 10 -6.575 9.502 -9.198 86 HB3 LYS 10 3HB LYS 10 -5.613 9.281 -7.743 87 HG2 LYS 10 2HG LYS 10 -4.014 8.268 -8.889 88 HG3 LYS 10 3HG LYS 10 -5.162 7.104 -9.554 89 HD2 LYS 10 2HD LYS 10 -5.395 8.244 -11.498 90 HD3 LYS 10 3HD LYS 10 -5.237 9.819 -10.716 91 HE2 LYS 10 2HE LYS 10 -2.962 7.905 -11.223 92 HE3 LYS 10 3HE LYS 10 -3.360 9.287 -12.242 93 HZ1 LYS 10 3HZ LYS 10 -2.121 9.220 -9.603 94 HZ2 LYS 10 1HZ LYS 10 -3.178 10.504 -9.915 95 HZ3 LYS 10 2HZ LYS 10 -1.831 10.256 -10.908 96 H PHE 11 H PHE 11 -7.735 5.336 -8.413 97 HA PHE 11 HA PHE 11 -9.098 5.877 -10.970 98 HB2 PHE 11 2HB PHE 11 -7.446 3.487 -10.145 99 HB3 PHE 11 3HB PHE 11 -8.488 3.495 -11.564 100 HD1 PHE 11 HD2 PHE 11 -8.020 6.213 -12.599 101 HD2 PHE 11 HD1 PHE 11 -5.299 3.353 -11.009 102 HE1 PHE 11 HE2 PHE 11 -6.204 7.209 -13.926 103 HE2 PHE 11 HE1 PHE 11 -3.477 4.345 -12.333 104 HZ PHE 11 HZ PHE 11 -3.929 6.275 -13.795 105 H GLY 12 H GLY 12 -9.450 4.844 -7.803 106 HA2 GLY 12 2HA GLY 12 -11.627 2.985 -8.324 107 HA3 GLY 12 3HA GLY 12 -11.000 3.443 -6.748 108 H LYS 13 H LYS 13 -12.497 5.155 -9.497 109 HA LYS 13 HA LYS 13 -13.838 7.002 -7.783 110 HB2 LYS 13 2HB LYS 13 -13.316 7.832 -9.919 111 HB3 LYS 13 3HB LYS 13 -13.955 6.407 -10.728 112 HG2 LYS 13 2HG LYS 13 -15.897 7.958 -9.149 113 HG3 LYS 13 3HG LYS 13 -15.247 8.758 -10.582 114 HD2 LYS 13 2HD LYS 13 -16.319 7.367 -11.998 115 HD3 LYS 13 3HD LYS 13 -16.056 5.956 -10.970 116 HE2 LYS 13 2HE LYS 13 -18.175 6.084 -10.318 117 HE3 LYS 13 3HE LYS 13 -17.824 7.644 -9.577 118 HZ1 LYS 13 3HZ LYS 13 -19.190 7.043 -12.063 119 HZ2 LYS 13 1HZ LYS 13 -18.120 8.352 -12.127 120 HZ3 LYS 13 2HZ LYS 13 -19.387 8.349 -11.006 121 H ASN 14 H ASN 14 -14.620 3.911 -9.141 122 HA ASN 14 HA ASN 14 -17.441 4.074 -8.938 123 HB2 ASN 14 2HB ASN 14 -16.292 2.380 -10.313 124 HB3 ASN 14 3HB ASN 14 -15.660 1.628 -8.851 125 HD21 ASN 14 1HD2 ASN 14 -18.724 2.619 -10.327 126 HD22 ASN 14 2HD2 ASN 14 -19.633 1.263 -9.761 127 H LYS 15 H LYS 15 -14.967 3.719 -6.610 128 HA LYS 15 HA LYS 15 -16.953 2.925 -4.581 129 HB2 LYS 15 2HB LYS 15 -14.036 2.276 -4.861 130 HB3 LYS 15 3HB LYS 15 -14.795 2.269 -3.274 131 HG2 LYS 15 2HG LYS 15 -15.227 0.125 -3.731 132 HG3 LYS 15 3HG LYS 15 -16.551 0.771 -4.704 133 HD2 LYS 15 2HD LYS 15 -15.360 -0.788 -6.061 134 HD3 LYS 15 3HD LYS 15 -14.969 0.830 -6.650 135 HE2 LYS 15 2HE LYS 15 -12.818 0.759 -5.796 136 HE3 LYS 15 3HE LYS 15 -13.220 -0.484 -4.613 137 HZ1 LYS 15 3HZ LYS 15 -11.852 -1.114 -6.686 138 HZ2 LYS 15 1HZ LYS 15 -13.340 -1.094 -7.491 139 HZ3 LYS 15 2HZ LYS 15 -13.099 -2.144 -6.188 140 H SER 16 H SER 16 -17.026 5.506 -5.136 141 HA SER 16 HA SER 16 -15.203 7.243 -3.983 142 HB2 SER 16 2HB SER 16 -17.203 7.855 -5.405 143 HB3 SER 16 3HB SER 16 -18.198 7.660 -3.962 144 HG SER 16 HG SER 16 -17.037 9.826 -4.659 145 H ARG 17 H ARG 17 -18.206 6.026 -2.486 146 HA ARG 17 HA ARG 17 -17.168 6.798 0.137 147 HB2 ARG 17 2HB ARG 17 -19.911 5.748 -0.572 148 HB3 ARG 17 3HB ARG 17 -19.423 6.475 0.952 149 HG2 ARG 17 2HG ARG 17 -19.903 8.498 0.198 150 HG3 ARG 17 3HG ARG 17 -18.854 8.273 -1.203 151 HD2 ARG 17 2HD ARG 17 -20.787 8.476 -2.346 152 HD3 ARG 17 3HD ARG 17 -20.961 6.768 -1.942 153 HE ARG 17 HE ARG 17 -22.052 8.501 0.059 154 HH11 ARG 17 1HH1 ARG 17 -22.676 6.961 -3.000 155 HH12 ARG 17 2HH1 ARG 17 -24.397 6.974 -2.804 156 HH21 ARG 17 1HH2 ARG 17 -24.317 8.525 0.329 157 HH22 ARG 17 2HH2 ARG 17 -25.329 7.865 -0.911 Start of MODEL 10 1 H1 TRP 1 H TRP 1 0.455 -1.595 -0.484 2 HA TRP 1 HA TRP 1 2.329 -0.723 -1.446 3 HB2 TRP 1 2HB TRP 1 1.572 -2.313 -3.361 4 HB3 TRP 1 3HB TRP 1 1.041 -0.834 -4.158 5 HD1 TRP 1 HD1 TRP 1 4.318 -1.378 -2.160 6 HE1 TRP 1 HE1 TRP 1 6.294 -0.830 -3.715 7 HE3 TRP 1 HE3 TRP 1 1.728 -0.465 -6.472 8 HZ2 TRP 1 HZ2 TRP 1 6.702 -0.105 -6.412 9 HZ3 TRP 1 HZ3 TRP 1 2.987 0.151 -8.495 10 HH2 TRP 1 HH2 TRP 1 5.421 0.327 -8.464 11 H LYS 2 H LYS 2 2.486 1.332 -0.810 12 HA LYS 2 HA LYS 2 0.674 3.375 -1.137 13 HB2 LYS 2 2HB LYS 2 2.669 4.915 -0.854 14 HB3 LYS 2 3HB LYS 2 2.453 3.695 0.395 15 HG2 LYS 2 2HG LYS 2 4.146 2.778 -1.782 16 HG3 LYS 2 3HG LYS 2 4.774 4.220 -0.981 17 HD2 LYS 2 2HD LYS 2 3.757 2.110 0.807 18 HD3 LYS 2 3HD LYS 2 5.205 1.696 -0.113 19 HE2 LYS 2 2HE LYS 2 6.061 4.011 0.692 20 HE3 LYS 2 3HE LYS 2 4.799 3.862 1.913 21 HZ1 LYS 2 3HZ LYS 2 5.867 1.550 2.290 22 HZ2 LYS 2 1HZ LYS 2 6.598 2.922 2.956 23 HZ3 LYS 2 2HZ LYS 2 7.220 2.235 1.541 24 H LEU 3 H LEU 3 2.925 2.097 -3.442 25 HA LEU 3 HA LEU 3 2.897 4.328 -5.222 26 HB2 LEU 3 2HB LEU 3 4.188 1.795 -5.047 27 HB3 LEU 3 3HB LEU 3 3.442 1.934 -6.638 28 HG LEU 3 HG LEU 3 5.668 2.686 -6.871 29 HD11 LEU 3 1HD1 LEU 3 4.929 5.394 -6.766 30 HD12 LEU 3 2HD1 LEU 3 3.468 4.491 -7.165 31 HD13 LEU 3 3HD1 LEU 3 4.911 4.318 -8.164 32 HD21 LEU 3 3HD2 LEU 3 5.246 4.591 -4.577 33 HD22 LEU 3 1HD2 LEU 3 6.744 4.272 -5.451 34 HD23 LEU 3 2HD2 LEU 3 6.041 3.024 -4.421 35 H LEU 4 H LEU 4 1.108 1.284 -5.021 36 HA LEU 4 HA LEU 4 -0.402 1.845 -7.416 37 HB2 LEU 4 2HB LEU 4 -0.011 -0.394 -5.617 38 HB3 LEU 4 3HB LEU 4 -1.709 -0.177 -6.035 39 HG LEU 4 HG LEU 4 -1.419 -0.956 -8.116 40 HD11 LEU 4 1HD1 LEU 4 1.121 0.636 -8.112 41 HD12 LEU 4 2HD1 LEU 4 -0.338 0.876 -9.072 42 HD13 LEU 4 3HD1 LEU 4 0.733 -0.480 -9.422 43 HD21 LEU 4 3HD2 LEU 4 1.278 -1.969 -7.783 44 HD22 LEU 4 1HD2 LEU 4 -0.248 -2.841 -7.937 45 HD23 LEU 4 2HD2 LEU 4 0.276 -2.254 -6.358 46 H SER 5 H SER 5 -0.785 2.234 -3.974 47 HA SER 5 HA SER 5 -3.603 2.688 -4.018 48 HB2 SER 5 2HB SER 5 -1.436 3.165 -1.984 49 HB3 SER 5 3HB SER 5 -3.082 3.737 -1.711 50 HG SER 5 HG SER 5 -2.702 1.634 -0.847 51 H LYS 6 H LYS 6 -0.850 4.593 -4.749 52 HA LYS 6 HA LYS 6 -2.336 7.100 -4.481 53 HB2 LYS 6 2HB LYS 6 -0.320 8.206 -4.455 54 HB3 LYS 6 3HB LYS 6 0.164 6.659 -3.772 55 HG2 LYS 6 2HG LYS 6 0.629 6.086 -6.307 56 HG3 LYS 6 3HG LYS 6 0.776 7.841 -6.424 57 HD2 LYS 6 2HD LYS 6 2.189 6.540 -4.174 58 HD3 LYS 6 3HD LYS 6 2.827 6.233 -5.791 59 HE2 LYS 6 2HE LYS 6 2.677 8.788 -6.094 60 HE3 LYS 6 3HE LYS 6 2.542 8.841 -4.337 61 HZ1 LYS 6 3HZ LYS 6 4.646 7.371 -4.425 62 HZ2 LYS 6 1HZ LYS 6 4.796 9.038 -4.674 63 HZ3 LYS 6 2HZ LYS 6 4.817 7.980 -5.994 64 H ALA 7 H ALA 7 -1.246 4.835 -6.844 65 HA ALA 7 HA ALA 7 -1.756 6.702 -9.040 66 HB1 ALA 7 1HB ALA 7 -0.756 5.048 -10.484 67 HB2 ALA 7 2HB ALA 7 0.297 5.331 -9.097 68 HB3 ALA 7 3HB ALA 7 -0.702 3.880 -9.163 69 H GLN 8 H GLN 8 -3.335 4.322 -7.240 70 HA GLN 8 HA GLN 8 -5.243 3.779 -9.411 71 HB2 GLN 8 2HB GLN 8 -4.218 1.798 -8.353 72 HB3 GLN 8 3HB GLN 8 -4.860 2.309 -6.797 73 HG2 GLN 8 2HG GLN 8 -6.956 1.626 -7.278 74 HG3 GLN 8 3HG GLN 8 -6.812 2.022 -8.990 75 HE21 GLN 8 1HE2 GLN 8 -5.824 -0.303 -6.533 76 HE22 GLN 8 2HE2 GLN 8 -5.678 -1.649 -7.606 77 H GLU 9 H GLU 9 -4.852 5.266 -6.316 78 HA GLU 9 HA GLU 9 -7.482 5.354 -5.403 79 HB2 GLU 9 2HB GLU 9 -5.867 6.085 -3.879 80 HB3 GLU 9 3HB GLU 9 -5.120 7.169 -5.044 81 HG2 GLU 9 2HG GLU 9 -7.006 8.676 -4.902 82 HG3 GLU 9 3HG GLU 9 -7.834 7.570 -3.808 83 H LYS 10 H LYS 10 -5.907 7.133 -7.939 84 HA LYS 10 HA LYS 10 -8.046 9.077 -8.166 85 HB2 LYS 10 2HB LYS 10 -6.746 10.104 -9.862 86 HB3 LYS 10 3HB LYS 10 -5.605 9.578 -8.631 87 HG2 LYS 10 2HG LYS 10 -5.378 7.458 -10.106 88 HG3 LYS 10 3HG LYS 10 -6.074 8.479 -11.367 89 HD2 LYS 10 2HD LYS 10 -3.704 8.637 -11.555 90 HD3 LYS 10 3HD LYS 10 -4.276 10.158 -10.865 91 HE2 LYS 10 2HE LYS 10 -3.494 9.614 -8.729 92 HE3 LYS 10 3HE LYS 10 -3.355 7.900 -9.117 93 HZ1 LYS 10 3HZ LYS 10 -1.231 9.293 -9.012 94 HZ2 LYS 10 1HZ LYS 10 -1.705 9.909 -10.515 95 HZ3 LYS 10 2HZ LYS 10 -1.426 8.251 -10.331 96 H PHE 11 H PHE 11 -8.182 6.007 -8.716 97 HA PHE 11 HA PHE 11 -9.576 6.260 -11.300 98 HB2 PHE 11 2HB PHE 11 -7.950 3.974 -10.194 99 HB3 PHE 11 3HB PHE 11 -9.100 3.754 -11.510 100 HD1 PHE 11 HD2 PHE 11 -6.063 5.629 -10.514 101 HD2 PHE 11 HD1 PHE 11 -8.506 4.245 -13.713 102 HE1 PHE 11 HE2 PHE 11 -4.343 6.332 -12.127 103 HE2 PHE 11 HE1 PHE 11 -6.789 4.944 -15.331 104 HZ PHE 11 HZ PHE 11 -4.705 5.991 -14.539 105 H GLY 12 H GLY 12 -9.597 4.932 -8.057 106 HA2 GLY 12 2HA GLY 12 -12.249 3.766 -8.474 107 HA3 GLY 12 3HA GLY 12 -11.238 3.560 -7.051 108 H LYS 13 H LYS 13 -12.614 6.356 -8.788 109 HA LYS 13 HA LYS 13 -12.903 8.036 -6.622 110 HB2 LYS 13 2HB LYS 13 -14.853 9.023 -7.974 111 HB3 LYS 13 3HB LYS 13 -13.264 8.999 -8.727 112 HG2 LYS 13 2HG LYS 13 -14.819 6.602 -9.279 113 HG3 LYS 13 3HG LYS 13 -15.594 8.084 -9.846 114 HD2 LYS 13 2HD LYS 13 -12.693 7.700 -10.396 115 HD3 LYS 13 3HD LYS 13 -13.857 6.772 -11.345 116 HE2 LYS 13 2HE LYS 13 -15.017 9.123 -11.595 117 HE3 LYS 13 3HE LYS 13 -13.394 9.714 -11.243 118 HZ1 LYS 13 3HZ LYS 13 -12.968 9.418 -13.387 119 HZ2 LYS 13 1HZ LYS 13 -14.416 8.582 -13.647 120 HZ3 LYS 13 2HZ LYS 13 -13.041 7.749 -13.121 121 H ASN 14 H ASN 14 -15.041 5.462 -7.716 122 HA ASN 14 HA ASN 14 -16.820 5.997 -5.438 123 HB2 ASN 14 2HB ASN 14 -17.271 5.122 -8.166 124 HB3 ASN 14 3HB ASN 14 -17.980 3.997 -7.012 125 HD21 ASN 14 1HD2 ASN 14 -18.611 6.621 -8.819 126 HD22 ASN 14 2HD2 ASN 14 -19.886 7.330 -7.893 127 H LYS 15 H LYS 15 -14.456 3.844 -6.635 128 HA LYS 15 HA LYS 15 -15.234 1.446 -5.389 129 HB2 LYS 15 2HB LYS 15 -13.182 2.206 -7.035 130 HB3 LYS 15 3HB LYS 15 -12.339 1.943 -5.514 131 HG2 LYS 15 2HG LYS 15 -12.217 -0.173 -6.246 132 HG3 LYS 15 3HG LYS 15 -13.860 -0.280 -5.610 133 HD2 LYS 15 2HD LYS 15 -14.758 0.230 -7.823 134 HD3 LYS 15 3HD LYS 15 -13.119 0.373 -8.463 135 HE2 LYS 15 2HE LYS 15 -12.971 -1.828 -8.752 136 HE3 LYS 15 3HE LYS 15 -13.459 -2.133 -7.085 137 HZ1 LYS 15 3HZ LYS 15 -15.140 -1.942 -9.497 138 HZ2 LYS 15 1HZ LYS 15 -15.806 -1.635 -7.972 139 HZ3 LYS 15 2HZ LYS 15 -15.116 -3.143 -8.306 140 H SER 16 H SER 16 -12.823 3.851 -4.320 141 HA SER 16 HA SER 16 -12.252 2.766 -1.843 142 HB2 SER 16 2HB SER 16 -11.094 4.694 -1.438 143 HB3 SER 16 3HB SER 16 -11.377 4.940 -3.161 144 HG SER 16 HG SER 16 -13.369 6.053 -2.427 145 H ARG 17 H ARG 17 -15.024 4.618 -2.864 146 HA ARG 17 HA ARG 17 -15.992 4.924 -0.135 147 HB2 ARG 17 2HB ARG 17 -16.352 6.820 -1.547 148 HB3 ARG 17 3HB ARG 17 -17.065 5.822 -2.808 149 HG2 ARG 17 2HG ARG 17 -18.416 5.724 -0.196 150 HG3 ARG 17 3HG ARG 17 -18.488 7.269 -1.045 151 HD2 ARG 17 2HD ARG 17 -19.226 5.944 -3.082 152 HD3 ARG 17 3HD ARG 17 -19.442 4.578 -1.987 153 HE ARG 17 HE ARG 17 -21.158 6.848 -2.267 154 HH11 ARG 17 1HH1 ARG 17 -20.023 4.424 -0.041 155 HH12 ARG 17 2HH1 ARG 17 -21.437 4.492 0.957 156 HH21 ARG 17 1HH2 ARG 17 -23.025 6.947 -0.959 157 HH22 ARG 17 2HH2 ARG 17 -23.144 5.927 0.434
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