NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622517 | 5wye | 36044 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 2.308 1.024 -1.504 3 HB VAL 1 HB VAL 1 4.019 -0.230 -0.331 4 HG11 VAL 1 1HG1 VAL 1 2.682 -2.145 0.359 5 HG12 VAL 1 2HG1 VAL 1 2.590 -2.700 -1.313 6 HG13 VAL 1 3HG1 VAL 1 4.142 -2.673 -0.475 7 HG21 VAL 1 1HG2 VAL 1 5.258 -0.595 -2.177 8 HG22 VAL 1 2HG2 VAL 1 4.071 -1.690 -2.887 9 HG23 VAL 1 3HG2 VAL 1 3.848 0.055 -3.015 10 H ALA 2 H ALA 2 0.479 -1.946 -1.097 11 HA ALA 2 HA ALA 2 -0.177 -1.859 -3.970 12 HB1 ALA 2 1HB ALA 2 1.237 -3.851 -2.921 13 HB2 ALA 2 2HB ALA 2 -0.379 -4.445 -2.535 14 HB3 ALA 2 3HB ALA 2 0.059 -4.106 -4.209 15 H ARG 3 H ARG 3 -2.237 -1.394 -4.330 16 HA ARG 3 HA ARG 3 -4.182 -1.021 -2.409 17 HB2 ARG 3 2HB ARG 3 -5.706 -0.712 -4.154 18 HB3 ARG 3 3HB ARG 3 -4.156 -0.321 -4.887 19 HG2 ARG 3 2HG ARG 3 -4.177 -2.829 -5.597 20 HG3 ARG 3 3HG ARG 3 -5.915 -2.685 -5.324 21 HD2 ARG 3 2HD ARG 3 -6.098 -0.935 -6.934 22 HD3 ARG 3 3HD ARG 3 -4.345 -0.803 -7.072 23 HE ARG 3 HE ARG 3 -6.033 -2.625 -8.459 24 HH11 ARG 3 1HH1 ARG 3 -2.868 -2.281 -7.050 25 HH12 ARG 3 2HH1 ARG 3 -2.131 -3.448 -8.098 26 HH21 ARG 3 1HH2 ARG 3 -5.075 -4.163 -9.845 27 HH22 ARG 3 2HH2 ARG 3 -3.387 -4.517 -9.688 28 H GLY 4 H GLY 4 -3.237 -3.958 -4.048 29 HA2 GLY 4 2HA GLY 4 -5.392 -5.401 -2.637 30 HA3 GLY 4 3HA GLY 4 -4.647 -5.949 -4.131 31 H TRP 5 H TRP 5 -4.529 -6.008 -0.722 32 HA TRP 5 HA TRP 5 -2.038 -7.579 -0.835 33 HB2 TRP 5 2HB TRP 5 -2.943 -5.494 1.098 34 HB3 TRP 5 3HB TRP 5 -1.994 -6.843 1.716 35 HD1 TRP 5 HD1 TRP 5 -1.270 -3.540 1.056 36 HE1 TRP 5 HE1 TRP 5 1.048 -3.141 0.010 37 HE3 TRP 5 HE3 TRP 5 -0.312 -8.273 -0.622 38 HZ2 TRP 5 HZ2 TRP 5 3.021 -4.636 -1.346 39 HZ3 TRP 5 HZ3 TRP 5 1.813 -8.705 -1.784 40 HH2 TRP 5 HH2 TRP 5 3.444 -6.922 -2.138 41 H LYS 6 H LYS 6 -4.333 -7.082 1.812 42 HA LYS 6 HA LYS 6 -4.431 -9.421 3.012 43 HB2 LYS 6 2HB LYS 6 -7.078 -9.141 2.952 44 HB3 LYS 6 3HB LYS 6 -6.046 -8.055 3.873 45 HG2 LYS 6 2HG LYS 6 -6.518 -7.271 1.079 46 HG3 LYS 6 3HG LYS 6 -7.936 -7.244 2.131 47 HD2 LYS 6 2HD LYS 6 -5.958 -6.071 3.666 48 HD3 LYS 6 3HD LYS 6 -5.644 -5.455 2.042 49 HE2 LYS 6 2HE LYS 6 -8.322 -5.178 2.149 50 HE3 LYS 6 3HE LYS 6 -7.923 -4.971 3.853 51 HZ1 LYS 6 1HZ LYS 6 -7.544 -3.167 1.688 52 HZ2 LYS 6 2HZ LYS 6 -6.083 -3.457 2.488 53 HZ3 LYS 6 3HZ LYS 6 -7.420 -2.884 3.352 54 H ARG 7 H ARG 7 -6.401 -8.871 0.087 55 HA ARG 7 HA ARG 7 -6.996 -11.669 -0.175 56 HB2 ARG 7 2HB ARG 7 -7.546 -9.255 -1.890 57 HB3 ARG 7 3HB ARG 7 -7.955 -10.882 -2.417 58 HG2 ARG 7 2HG ARG 7 -9.283 -11.100 -0.275 59 HG3 ARG 7 3HG ARG 7 -9.054 -9.361 -0.073 60 HD2 ARG 7 2HD ARG 7 -10.711 -8.939 -1.491 61 HD3 ARG 7 3HD ARG 7 -9.929 -9.904 -2.742 62 HE ARG 7 HE ARG 7 -11.184 -11.638 -0.940 63 HH11 ARG 7 1HH1 ARG 7 -12.004 -9.237 -3.324 64 HH12 ARG 7 2HH1 ARG 7 -13.527 -9.961 -3.720 65 HH21 ARG 7 1HH2 ARG 7 -13.188 -12.601 -1.452 66 HH22 ARG 7 2HH2 ARG 7 -14.200 -11.874 -2.654 67 H LYS 8 H LYS 8 -5.632 -9.517 -2.653 68 HA LYS 8 HA LYS 8 -4.195 -11.690 -3.856 69 HB2 LYS 8 2HB LYS 8 -4.127 -8.721 -4.430 70 HB3 LYS 8 3HB LYS 8 -3.371 -9.959 -5.425 71 HG2 LYS 8 2HG LYS 8 -6.128 -10.609 -5.004 72 HG3 LYS 8 3HG LYS 8 -5.981 -8.957 -5.609 73 HD2 LYS 8 2HD LYS 8 -6.058 -10.168 -7.572 74 HD3 LYS 8 3HD LYS 8 -4.318 -10.030 -7.310 75 HE2 LYS 8 2HE LYS 8 -4.690 -12.284 -7.873 76 HE3 LYS 8 3HE LYS 8 -4.470 -12.269 -6.124 77 HZ1 LYS 8 1HZ LYS 8 -6.472 -13.143 -5.857 78 HZ2 LYS 8 2HZ LYS 8 -6.610 -13.305 -7.534 79 HZ3 LYS 8 3HZ LYS 8 -7.201 -11.918 -6.768 80 H CYS 9 H CYS 9 -2.292 -12.420 -3.203 81 HA CYS 9 HA CYS 9 -0.449 -10.546 -1.869 82 HB2 CYS 9 2HB CYS 9 0.469 -12.619 -0.730 83 HB3 CYS 9 3HB CYS 9 -1.139 -12.115 -0.225 84 HG CYS 9 HG CYS 9 -0.196 -14.885 -1.915 85 HA PRO 10 HA PRO 10 1.545 -12.050 -5.779 86 HB2 PRO 10 2HB PRO 10 2.495 -9.613 -6.506 87 HB3 PRO 10 3HB PRO 10 0.873 -10.175 -6.924 88 HG2 PRO 10 2HG PRO 10 1.734 -8.354 -4.710 89 HG3 PRO 10 3HG PRO 10 0.343 -8.209 -5.801 90 HD2 PRO 10 2HD PRO 10 0.118 -9.142 -3.269 91 HD3 PRO 10 3HD PRO 10 -0.921 -9.710 -4.592 92 H LEU 11 H LEU 11 2.774 -9.601 -3.500 93 HA LEU 11 HA LEU 11 5.396 -10.941 -3.608 94 HB2 LEU 11 2HB LEU 11 5.613 -8.351 -2.462 95 HB3 LEU 11 3HB LEU 11 6.335 -8.967 -3.947 96 HG LEU 11 HG LEU 11 3.545 -7.847 -3.862 97 HD11 LEU 11 1HD1 LEU 11 4.482 -5.875 -3.369 98 HD12 LEU 11 2HD1 LEU 11 5.054 -5.910 -5.036 99 HD13 LEU 11 3HD1 LEU 11 6.112 -6.445 -3.730 100 HD21 LEU 11 1HD2 LEU 11 5.322 -7.721 -6.228 101 HD22 LEU 11 2HD2 LEU 11 3.580 -7.977 -6.128 102 HD23 LEU 11 3HD2 LEU 11 4.689 -9.304 -5.777 103 H PHE 12 H PHE 12 4.043 -8.578 -1.335 104 HA PHE 12 HA PHE 12 4.416 -10.556 0.817 105 HB2 PHE 12 2HB PHE 12 4.621 -8.067 2.030 106 HB3 PHE 12 3HB PHE 12 5.955 -9.154 1.656 107 HD1 PHE 12 HD1 PHE 12 4.113 -6.172 0.577 108 HD2 PHE 12 HD2 PHE 12 7.455 -8.704 -0.153 109 HE1 PHE 12 HE1 PHE 12 5.062 -4.478 -0.934 110 HE2 PHE 12 HE2 PHE 12 8.410 -7.014 -1.665 111 HZ PHE 12 HZ PHE 12 7.214 -4.897 -2.056 112 H GLY 13 H GLY 13 2.238 -11.175 0.773 113 HA2 GLY 13 2HA GLY 13 0.166 -9.174 1.091 114 HA3 GLY 13 3HA GLY 13 -0.064 -10.914 1.015 115 H LYS 14 H LYS 14 2.250 -10.815 3.173 116 HA LYS 14 HA LYS 14 0.458 -11.091 5.397 117 HB2 LYS 14 2HB LYS 14 3.465 -11.013 5.553 118 HB3 LYS 14 3HB LYS 14 2.342 -11.828 6.633 119 HG2 LYS 14 2HG LYS 14 2.688 -13.683 5.478 120 HG3 LYS 14 3HG LYS 14 1.863 -12.926 4.113 121 HD2 LYS 14 2HD LYS 14 4.179 -11.857 3.633 122 HD3 LYS 14 3HD LYS 14 4.798 -13.145 4.670 123 HE2 LYS 14 2HE LYS 14 2.989 -14.353 2.886 124 HE3 LYS 14 3HE LYS 14 3.980 -13.258 1.923 125 HZ1 LYS 14 1HZ LYS 14 5.950 -14.321 2.704 126 HZ2 LYS 14 2HZ LYS 14 4.906 -15.527 2.143 127 HZ3 LYS 14 3HZ LYS 14 5.084 -15.270 3.805 128 H GLY 15 H GLY 15 3.163 -8.889 4.651 129 HA2 GLY 15 2HA GLY 15 2.201 -7.099 6.779 130 HA3 GLY 15 3HA GLY 15 3.808 -7.069 6.070 131 H GLY 16 H GLY 16 0.778 -7.236 4.275 132 HA2 GLY 16 2HA GLY 16 1.422 -5.327 2.392 133 HA3 GLY 16 3HA GLY 16 -0.225 -5.745 2.842 Start of MODEL 2 1 H1 VAL 1 H VAL 1 1.280 0.763 0.065 2 HA VAL 1 HA VAL 1 2.444 0.801 -1.894 3 HB VAL 1 HB VAL 1 4.168 -0.490 -0.783 4 HG11 VAL 1 1HG1 VAL 1 4.171 -2.934 -0.818 5 HG12 VAL 1 2HG1 VAL 1 2.777 -2.308 0.065 6 HG13 VAL 1 3HG1 VAL 1 2.578 -2.928 -1.575 7 HG21 VAL 1 1HG2 VAL 1 3.832 -0.303 -3.460 8 HG22 VAL 1 2HG2 VAL 1 5.266 -0.982 -2.689 9 HG23 VAL 1 3HG2 VAL 1 3.988 -2.050 -3.271 10 H ALA 2 H ALA 2 0.527 -2.076 -1.258 11 HA ALA 2 HA ALA 2 -0.324 -2.051 -4.081 12 HB1 ALA 2 1HB ALA 2 -0.179 -4.308 -4.266 13 HB2 ALA 2 2HB ALA 2 1.083 -4.067 -3.057 14 HB3 ALA 2 3HB ALA 2 -0.527 -4.584 -2.559 15 H ARG 3 H ARG 3 -2.385 -1.514 -4.312 16 HA ARG 3 HA ARG 3 -4.175 -1.019 -2.268 17 HB2 ARG 3 2HB ARG 3 -5.834 -0.743 -3.921 18 HB3 ARG 3 3HB ARG 3 -4.322 -0.317 -4.713 19 HG2 ARG 3 2HG ARG 3 -5.578 -3.039 -4.926 20 HG3 ARG 3 3HG ARG 3 -5.904 -1.726 -6.058 21 HD2 ARG 3 2HD ARG 3 -3.214 -1.686 -6.059 22 HD3 ARG 3 3HD ARG 3 -3.492 -3.394 -5.721 23 HE ARG 3 HE ARG 3 -4.154 -3.659 -7.886 24 HH11 ARG 3 1HH1 ARG 3 -4.371 -0.284 -7.060 25 HH12 ARG 3 2HH1 ARG 3 -4.773 0.218 -8.669 26 HH21 ARG 3 1HH2 ARG 3 -4.683 -3.010 -10.008 27 HH22 ARG 3 2HH2 ARG 3 -4.951 -1.334 -10.345 28 H GLY 4 H GLY 4 -3.449 -4.022 -3.892 29 HA2 GLY 4 2HA GLY 4 -5.570 -5.350 -2.324 30 HA3 GLY 4 3HA GLY 4 -4.932 -5.961 -3.843 31 H TRP 5 H TRP 5 -4.611 -5.926 -0.442 32 HA TRP 5 HA TRP 5 -2.199 -7.607 -0.656 33 HB2 TRP 5 2HB TRP 5 -2.898 -5.431 1.265 34 HB3 TRP 5 3HB TRP 5 -1.962 -6.799 1.861 35 HD1 TRP 5 HD1 TRP 5 -1.163 -3.545 1.050 36 HE1 TRP 5 HE1 TRP 5 1.096 -3.267 -0.151 37 HE3 TRP 5 HE3 TRP 5 -0.486 -8.360 -0.528 38 HZ2 TRP 5 HZ2 TRP 5 2.923 -4.876 -1.580 39 HZ3 TRP 5 HZ3 TRP 5 1.543 -8.907 -1.807 40 HH2 TRP 5 HH2 TRP 5 3.211 -7.200 -2.321 41 H LYS 6 H LYS 6 -4.313 -6.930 2.102 42 HA LYS 6 HA LYS 6 -4.431 -9.224 3.386 43 HB2 LYS 6 2HB LYS 6 -7.063 -8.837 3.471 44 HB3 LYS 6 3HB LYS 6 -5.936 -7.763 4.290 45 HG2 LYS 6 2HG LYS 6 -6.544 -7.056 1.503 46 HG3 LYS 6 3HG LYS 6 -7.895 -6.937 2.632 47 HD2 LYS 6 2HD LYS 6 -5.324 -5.805 3.546 48 HD3 LYS 6 3HD LYS 6 -6.123 -4.956 2.220 49 HE2 LYS 6 2HE LYS 6 -8.192 -5.435 3.951 50 HE3 LYS 6 3HE LYS 6 -6.844 -5.140 5.048 51 HZ1 LYS 6 1HZ LYS 6 -6.704 -3.211 3.059 52 HZ2 LYS 6 2HZ LYS 6 -7.119 -2.988 4.683 53 HZ3 LYS 6 3HZ LYS 6 -8.326 -3.279 3.535 54 H ARG 7 H ARG 7 -6.532 -8.685 0.552 55 HA ARG 7 HA ARG 7 -7.244 -11.470 0.423 56 HB2 ARG 7 2HB ARG 7 -8.882 -9.817 -0.238 57 HB3 ARG 7 3HB ARG 7 -7.788 -9.161 -1.447 58 HG2 ARG 7 2HG ARG 7 -8.081 -11.916 -1.993 59 HG3 ARG 7 3HG ARG 7 -9.692 -11.255 -1.706 60 HD2 ARG 7 2HD ARG 7 -7.847 -9.698 -3.431 61 HD3 ARG 7 3HD ARG 7 -8.529 -11.183 -4.095 62 HE ARG 7 HE ARG 7 -9.913 -8.717 -3.576 63 HH11 ARG 7 1HH1 ARG 7 -10.240 -12.161 -3.968 64 HH12 ARG 7 2HH1 ARG 7 -11.906 -12.081 -4.436 65 HH21 ARG 7 1HH2 ARG 7 -12.107 -8.599 -4.191 66 HH22 ARG 7 2HH2 ARG 7 -12.967 -10.054 -4.563 67 H LYS 8 H LYS 8 -5.993 -9.437 -2.209 68 HA LYS 8 HA LYS 8 -4.733 -11.671 -3.470 69 HB2 LYS 8 2HB LYS 8 -4.861 -8.725 -4.022 70 HB3 LYS 8 3HB LYS 8 -3.729 -9.738 -4.908 71 HG2 LYS 8 2HG LYS 8 -6.306 -10.972 -4.921 72 HG3 LYS 8 3HG LYS 8 -6.451 -9.293 -5.447 73 HD2 LYS 8 2HD LYS 8 -6.035 -10.593 -7.393 74 HD3 LYS 8 3HD LYS 8 -4.537 -9.736 -7.023 75 HE2 LYS 8 2HE LYS 8 -3.417 -11.643 -6.725 76 HE3 LYS 8 3HE LYS 8 -4.681 -12.310 -5.693 77 HZ1 LYS 8 1HZ LYS 8 -5.792 -13.210 -7.500 78 HZ2 LYS 8 2HZ LYS 8 -4.169 -13.478 -7.893 79 HZ3 LYS 8 3HZ LYS 8 -5.017 -12.209 -8.623 80 H CYS 9 H CYS 9 -2.847 -12.521 -2.919 81 HA CYS 9 HA CYS 9 -0.828 -10.775 -1.671 82 HB2 CYS 9 2HB CYS 9 -1.047 -13.762 -1.290 83 HB3 CYS 9 3HB CYS 9 -0.051 -12.633 -0.379 84 HG CYS 9 HG CYS 9 -3.473 -12.686 -0.296 85 HA PRO 10 HA PRO 10 0.853 -12.286 -5.728 86 HB2 PRO 10 2HB PRO 10 1.853 -9.876 -6.479 87 HB3 PRO 10 3HB PRO 10 0.187 -10.369 -6.805 88 HG2 PRO 10 2HG PRO 10 1.253 -8.618 -4.623 89 HG3 PRO 10 3HG PRO 10 -0.195 -8.402 -5.624 90 HD2 PRO 10 2HD PRO 10 -0.303 -9.365 -3.096 91 HD3 PRO 10 3HD PRO 10 -1.442 -9.871 -4.360 92 H LEU 11 H LEU 11 2.341 -9.867 -3.567 93 HA LEU 11 HA LEU 11 4.875 -11.352 -3.798 94 HB2 LEU 11 2HB LEU 11 5.309 -8.753 -2.745 95 HB3 LEU 11 3HB LEU 11 5.890 -9.442 -4.260 96 HG LEU 11 HG LEU 11 3.174 -8.175 -4.022 97 HD11 LEU 11 1HD1 LEU 11 4.223 -6.239 -3.634 98 HD12 LEU 11 2HD1 LEU 11 4.715 -6.340 -5.324 99 HD13 LEU 11 3HD1 LEU 11 5.804 -6.898 -4.054 100 HD21 LEU 11 1HD2 LEU 11 4.830 -8.202 -6.485 101 HD22 LEU 11 2HD2 LEU 11 3.080 -8.312 -6.293 102 HD23 LEU 11 3HD2 LEU 11 4.093 -9.719 -5.970 103 H PHE 12 H PHE 12 3.806 -8.858 -1.516 104 HA PHE 12 HA PHE 12 4.205 -10.798 0.666 105 HB2 PHE 12 2HB PHE 12 4.637 -8.323 1.815 106 HB3 PHE 12 3HB PHE 12 5.888 -9.463 1.329 107 HD1 PHE 12 HD1 PHE 12 4.054 -6.428 0.372 108 HD2 PHE 12 HD2 PHE 12 7.267 -9.056 -0.573 109 HE1 PHE 12 HE1 PHE 12 4.935 -4.773 -1.222 110 HE2 PHE 12 HE2 PHE 12 8.152 -7.405 -2.168 111 HZ PHE 12 HZ PHE 12 6.987 -5.260 -2.493 112 H GLY 13 H GLY 13 1.984 -11.284 0.737 113 HA2 GLY 13 2HA GLY 13 0.144 -9.085 1.331 114 HA3 GLY 13 3HA GLY 13 -0.309 -10.742 0.961 115 H LYS 14 H LYS 14 2.200 -10.852 3.113 116 HA LYS 14 HA LYS 14 0.491 -11.703 5.250 117 HB2 LYS 14 2HB LYS 14 2.656 -12.007 6.483 118 HB3 LYS 14 3HB LYS 14 2.556 -12.872 4.956 119 HG2 LYS 14 2HG LYS 14 3.678 -10.275 4.520 120 HG3 LYS 14 3HG LYS 14 4.556 -11.103 5.808 121 HD2 LYS 14 2HD LYS 14 3.967 -12.252 3.080 122 HD3 LYS 14 3HD LYS 14 5.509 -11.553 3.580 123 HE2 LYS 14 2HE LYS 14 5.165 -13.328 5.558 124 HE3 LYS 14 3HE LYS 14 4.278 -14.152 4.276 125 HZ1 LYS 14 1HZ LYS 14 6.631 -14.787 4.364 126 HZ2 LYS 14 2HZ LYS 14 7.077 -13.186 4.047 127 HZ3 LYS 14 3HZ LYS 14 6.223 -14.072 2.886 128 H GLY 15 H GLY 15 2.385 -8.836 4.526 129 HA2 GLY 15 2HA GLY 15 1.347 -7.618 7.012 130 HA3 GLY 15 3HA GLY 15 2.925 -7.231 6.342 131 H GLY 16 H GLY 16 1.977 -7.178 3.584 132 HA2 GLY 16 2HA GLY 16 1.292 -5.562 2.100 133 HA3 GLY 16 3HA GLY 16 -0.157 -5.500 3.092 Start of MODEL 3 1 H1 VAL 1 H VAL 1 0.558 0.363 0.490 2 HA VAL 1 HA VAL 1 2.682 0.347 -1.411 3 HB VAL 1 HB VAL 1 1.551 -1.785 0.392 4 HG11 VAL 1 1HG1 VAL 1 3.629 -1.993 -1.745 5 HG12 VAL 1 2HG1 VAL 1 3.770 -2.968 -0.280 6 HG13 VAL 1 3HG1 VAL 1 2.348 -3.125 -1.311 7 HG21 VAL 1 1HG2 VAL 1 3.709 -1.521 1.542 8 HG22 VAL 1 2HG2 VAL 1 4.152 -0.253 0.398 9 HG23 VAL 1 3HG2 VAL 1 2.794 -0.014 1.498 10 H ALA 2 H ALA 2 0.233 -2.200 -1.084 11 HA ALA 2 HA ALA 2 -0.109 -2.142 -4.011 12 HB1 ALA 2 1HB ALA 2 0.166 -4.393 -4.212 13 HB2 ALA 2 2HB ALA 2 1.225 -4.105 -2.831 14 HB3 ALA 2 3HB ALA 2 -0.407 -4.723 -2.576 15 H ARG 3 H ARG 3 -2.129 -1.739 -4.601 16 HA ARG 3 HA ARG 3 -4.271 -1.360 -2.910 17 HB2 ARG 3 2HB ARG 3 -5.605 -1.127 -4.810 18 HB3 ARG 3 3HB ARG 3 -3.993 -0.747 -5.401 19 HG2 ARG 3 2HG ARG 3 -3.934 -3.290 -6.002 20 HG3 ARG 3 3HG ARG 3 -5.691 -3.135 -5.927 21 HD2 ARG 3 2HD ARG 3 -4.464 -0.966 -7.410 22 HD3 ARG 3 3HD ARG 3 -4.065 -2.542 -8.092 23 HE ARG 3 HE ARG 3 -6.857 -2.232 -7.515 24 HH11 ARG 3 1HH1 ARG 3 -4.348 -1.627 -9.851 25 HH12 ARG 3 2HH1 ARG 3 -5.436 -1.566 -11.198 26 HH21 ARG 3 1HH2 ARG 3 -8.300 -2.154 -9.280 27 HH22 ARG 3 2HH2 ARG 3 -7.684 -1.865 -10.872 28 H GLY 4 H GLY 4 -3.088 -4.325 -4.317 29 HA2 GLY 4 2HA GLY 4 -5.316 -5.770 -3.019 30 HA3 GLY 4 3HA GLY 4 -4.533 -6.323 -4.492 31 H TRP 5 H TRP 5 -4.542 -6.440 -1.102 32 HA TRP 5 HA TRP 5 -2.004 -7.939 -1.133 33 HB2 TRP 5 2HB TRP 5 -3.037 -5.902 0.781 34 HB3 TRP 5 3HB TRP 5 -2.111 -7.249 1.438 35 HD1 TRP 5 HD1 TRP 5 -1.378 -3.935 0.870 36 HE1 TRP 5 HE1 TRP 5 0.989 -3.502 -0.044 37 HE3 TRP 5 HE3 TRP 5 -0.294 -8.631 -0.836 38 HZ2 TRP 5 HZ2 TRP 5 3.043 -4.958 -1.320 39 HZ3 TRP 5 HZ3 TRP 5 1.893 -9.027 -1.891 40 HH2 TRP 5 HH2 TRP 5 3.526 -7.227 -2.127 41 H LYS 6 H LYS 6 -4.436 -7.549 1.410 42 HA LYS 6 HA LYS 6 -4.527 -9.907 2.570 43 HB2 LYS 6 2HB LYS 6 -7.175 -9.703 2.377 44 HB3 LYS 6 3HB LYS 6 -6.223 -8.603 3.366 45 HG2 LYS 6 2HG LYS 6 -6.575 -7.788 0.564 46 HG3 LYS 6 3HG LYS 6 -8.045 -7.818 1.541 47 HD2 LYS 6 2HD LYS 6 -7.315 -6.151 2.934 48 HD3 LYS 6 3HD LYS 6 -5.612 -6.544 2.688 49 HE2 LYS 6 2HE LYS 6 -5.736 -5.607 0.424 50 HE3 LYS 6 3HE LYS 6 -7.430 -5.201 0.689 51 HZ1 LYS 6 1HZ LYS 6 -5.051 -3.849 1.597 52 HZ2 LYS 6 2HZ LYS 6 -6.225 -4.046 2.799 53 HZ3 LYS 6 3HZ LYS 6 -6.614 -3.247 1.360 54 H ARG 7 H ARG 7 -6.370 -9.372 -0.439 55 HA ARG 7 HA ARG 7 -6.842 -12.191 -0.770 56 HB2 ARG 7 2HB ARG 7 -7.518 -9.722 -2.324 57 HB3 ARG 7 3HB ARG 7 -7.660 -11.295 -3.097 58 HG2 ARG 7 2HG ARG 7 -9.764 -11.131 -2.293 59 HG3 ARG 7 3HG ARG 7 -9.002 -11.825 -0.860 60 HD2 ARG 7 2HD ARG 7 -9.425 -9.999 0.343 61 HD3 ARG 7 3HD ARG 7 -8.742 -8.949 -0.898 62 HE ARG 7 HE ARG 7 -11.189 -9.636 -1.877 63 HH11 ARG 7 1HH1 ARG 7 -10.051 -8.208 1.087 64 HH12 ARG 7 2HH1 ARG 7 -11.493 -7.282 1.347 65 HH21 ARG 7 1HH2 ARG 7 -13.092 -8.423 -1.546 66 HH22 ARG 7 2HH2 ARG 7 -13.222 -7.406 -0.151 67 H LYS 8 H LYS 8 -5.504 -9.935 -3.168 68 HA LYS 8 HA LYS 8 -3.960 -11.994 -4.403 69 HB2 LYS 8 2HB LYS 8 -4.799 -9.360 -5.047 70 HB3 LYS 8 3HB LYS 8 -3.044 -9.390 -5.164 71 HG2 LYS 8 2HG LYS 8 -3.226 -10.318 -7.161 72 HG3 LYS 8 3HG LYS 8 -3.968 -11.734 -6.413 73 HD2 LYS 8 2HD LYS 8 -5.507 -9.265 -7.199 74 HD3 LYS 8 3HD LYS 8 -5.311 -10.669 -8.251 75 HE2 LYS 8 2HE LYS 8 -6.615 -12.021 -6.906 76 HE3 LYS 8 3HE LYS 8 -6.337 -11.036 -5.470 77 HZ1 LYS 8 1HZ LYS 8 -7.638 -9.267 -6.830 78 HZ2 LYS 8 2HZ LYS 8 -8.479 -10.482 -6.007 79 HZ3 LYS 8 3HZ LYS 8 -8.230 -10.608 -7.676 80 H CYS 9 H CYS 9 -2.163 -12.799 -3.556 81 HA CYS 9 HA CYS 9 -0.369 -10.988 -2.080 82 HB2 CYS 9 2HB CYS 9 -0.469 -13.994 -1.814 83 HB3 CYS 9 3HB CYS 9 0.360 -12.850 -0.766 84 HG CYS 9 HG CYS 9 -1.542 -12.865 0.948 85 HA PRO 10 HA PRO 10 1.830 -12.263 -5.965 86 HB2 PRO 10 2HB PRO 10 2.787 -9.782 -6.515 87 HB3 PRO 10 3HB PRO 10 1.194 -10.336 -7.044 88 HG2 PRO 10 2HG PRO 10 1.921 -8.626 -4.697 89 HG3 PRO 10 3HG PRO 10 0.585 -8.437 -5.848 90 HD2 PRO 10 2HD PRO 10 0.244 -9.504 -3.383 91 HD3 PRO 10 3HD PRO 10 -0.720 -10.011 -4.784 92 H LEU 11 H LEU 11 2.937 -9.881 -3.551 93 HA LEU 11 HA LEU 11 5.555 -11.235 -3.548 94 HB2 LEU 11 2HB LEU 11 5.745 -8.663 -2.367 95 HB3 LEU 11 3HB LEU 11 6.519 -9.264 -3.832 96 HG LEU 11 HG LEU 11 3.734 -8.132 -3.852 97 HD11 LEU 11 1HD1 LEU 11 4.631 -6.166 -3.278 98 HD12 LEU 11 2HD1 LEU 11 5.321 -6.174 -4.901 99 HD13 LEU 11 3HD1 LEU 11 6.281 -6.734 -3.533 100 HD21 LEU 11 1HD2 LEU 11 4.939 -9.546 -5.741 101 HD22 LEU 11 2HD2 LEU 11 5.656 -7.977 -6.111 102 HD23 LEU 11 3HD2 LEU 11 3.902 -8.171 -6.124 103 H PHE 12 H PHE 12 4.116 -8.880 -1.321 104 HA PHE 12 HA PHE 12 4.358 -10.884 0.825 105 HB2 PHE 12 2HB PHE 12 4.550 -8.450 2.107 106 HB3 PHE 12 3HB PHE 12 5.900 -9.508 1.710 107 HD1 PHE 12 HD1 PHE 12 4.023 -6.522 0.682 108 HD2 PHE 12 HD2 PHE 12 7.453 -8.946 -0.007 109 HE1 PHE 12 HE1 PHE 12 4.981 -4.756 -0.739 110 HE2 PHE 12 HE2 PHE 12 8.417 -7.184 -1.428 111 HZ PHE 12 HZ PHE 12 7.182 -5.085 -1.795 112 H GLY 13 H GLY 13 2.172 -11.468 0.653 113 HA2 GLY 13 2HA GLY 13 0.179 -9.367 1.103 114 HA3 GLY 13 3HA GLY 13 -0.156 -11.024 0.621 115 H LYS 14 H LYS 14 2.091 -11.177 3.024 116 HA LYS 14 HA LYS 14 0.254 -12.239 4.910 117 HB2 LYS 14 2HB LYS 14 2.248 -12.351 6.411 118 HB3 LYS 14 3HB LYS 14 2.490 -13.110 4.843 119 HG2 LYS 14 2HG LYS 14 3.346 -10.524 4.433 120 HG3 LYS 14 3HG LYS 14 3.888 -10.884 6.074 121 HD2 LYS 14 2HD LYS 14 4.889 -12.998 5.197 122 HD3 LYS 14 3HD LYS 14 4.481 -12.454 3.568 123 HE2 LYS 14 2HE LYS 14 6.206 -11.029 3.499 124 HE3 LYS 14 3HE LYS 14 5.904 -10.447 5.135 125 HZ1 LYS 14 1HZ LYS 14 7.022 -13.127 4.866 126 HZ2 LYS 14 2HZ LYS 14 7.329 -11.938 6.029 127 HZ3 LYS 14 3HZ LYS 14 8.049 -11.832 4.502 128 H GLY 15 H GLY 15 1.978 -9.165 4.649 129 HA2 GLY 15 2HA GLY 15 0.354 -8.173 6.911 130 HA3 GLY 15 3HA GLY 15 1.998 -7.633 6.601 131 H GLY 16 H GLY 16 1.580 -7.527 3.692 132 HA2 GLY 16 2HA GLY 16 1.074 -5.890 2.160 133 HA3 GLY 16 3HA GLY 16 -0.532 -5.952 2.872 Start of MODEL 4 1 H1 VAL 1 H VAL 1 1.890 0.359 -0.250 2 HA VAL 1 HA VAL 1 3.161 0.255 -2.146 3 HB VAL 1 HB VAL 1 4.748 -1.153 -0.981 4 HG11 VAL 1 1HG1 VAL 1 4.541 -3.568 -0.899 5 HG12 VAL 1 2HG1 VAL 1 3.141 -2.814 -0.132 6 HG13 VAL 1 3HG1 VAL 1 3.003 -3.488 -1.757 7 HG21 VAL 1 1HG2 VAL 1 4.459 -1.019 -3.670 8 HG22 VAL 1 2HG2 VAL 1 5.823 -1.785 -2.856 9 HG23 VAL 1 3HG2 VAL 1 4.472 -2.765 -3.424 10 H ALA 2 H ALA 2 1.051 -2.498 -1.507 11 HA ALA 2 HA ALA 2 0.200 -2.404 -4.328 12 HB1 ALA 2 1HB ALA 2 1.495 -4.504 -3.299 13 HB2 ALA 2 2HB ALA 2 -0.153 -4.939 -2.848 14 HB3 ALA 2 3HB ALA 2 0.252 -4.657 -4.541 15 H ARG 3 H ARG 3 -1.831 -1.759 -4.551 16 HA ARG 3 HA ARG 3 -3.588 -1.207 -2.484 17 HB2 ARG 3 2HB ARG 3 -5.181 -0.710 -4.114 18 HB3 ARG 3 3HB ARG 3 -3.656 -0.481 -4.960 19 HG2 ARG 3 2HG ARG 3 -4.030 -2.994 -5.635 20 HG3 ARG 3 3HG ARG 3 -5.715 -2.597 -5.295 21 HD2 ARG 3 2HD ARG 3 -4.098 -0.767 -7.009 22 HD3 ARG 3 3HD ARG 3 -4.717 -2.267 -7.697 23 HE ARG 3 HE ARG 3 -6.848 -1.034 -6.431 24 HH11 ARG 3 1HH1 ARG 3 -4.670 -0.350 -9.059 25 HH12 ARG 3 2HH1 ARG 3 -5.816 0.613 -9.930 26 HH21 ARG 3 1HH2 ARG 3 -8.366 0.232 -7.569 27 HH22 ARG 3 2HH2 ARG 3 -7.918 0.944 -9.081 28 H GLY 4 H GLY 4 -3.026 -4.197 -4.190 29 HA2 GLY 4 2HA GLY 4 -5.249 -5.444 -2.701 30 HA3 GLY 4 3HA GLY 4 -4.583 -6.064 -4.205 31 H TRP 5 H TRP 5 -4.383 -6.084 -0.792 32 HA TRP 5 HA TRP 5 -2.071 -7.904 -0.948 33 HB2 TRP 5 2HB TRP 5 -2.674 -5.691 0.965 34 HB3 TRP 5 3HB TRP 5 -1.823 -7.112 1.566 35 HD1 TRP 5 HD1 TRP 5 -0.842 -3.898 0.768 36 HE1 TRP 5 HE1 TRP 5 1.448 -3.743 -0.396 37 HE3 TRP 5 HE3 TRP 5 -0.393 -8.746 -0.791 38 HZ2 TRP 5 HZ2 TRP 5 3.211 -5.449 -1.791 39 HZ3 TRP 5 HZ3 TRP 5 1.626 -9.403 -2.034 40 HH2 TRP 5 HH2 TRP 5 3.389 -7.787 -2.524 41 H LYS 6 H LYS 6 -4.161 -7.095 1.786 42 HA LYS 6 HA LYS 6 -4.455 -9.409 3.025 43 HB2 LYS 6 2HB LYS 6 -7.034 -8.784 3.171 44 HB3 LYS 6 3HB LYS 6 -5.801 -7.831 3.986 45 HG2 LYS 6 2HG LYS 6 -5.812 -6.213 2.191 46 HG3 LYS 6 3HG LYS 6 -6.965 -7.194 1.282 47 HD2 LYS 6 2HD LYS 6 -7.607 -6.236 4.049 48 HD3 LYS 6 3HD LYS 6 -7.843 -5.185 2.651 49 HE2 LYS 6 2HE LYS 6 -8.960 -7.654 1.945 50 HE3 LYS 6 3HE LYS 6 -9.470 -7.361 3.607 51 HZ1 LYS 6 1HZ LYS 6 -10.058 -5.809 1.184 52 HZ2 LYS 6 2HZ LYS 6 -10.015 -5.012 2.675 53 HZ3 LYS 6 3HZ LYS 6 -11.096 -6.289 2.430 54 H ARG 7 H ARG 7 -6.417 -8.603 0.162 55 HA ARG 7 HA ARG 7 -7.530 -11.241 -0.001 56 HB2 ARG 7 2HB ARG 7 -8.836 -9.376 -0.801 57 HB3 ARG 7 3HB ARG 7 -7.564 -8.910 -1.922 58 HG2 ARG 7 2HG ARG 7 -9.444 -10.038 -3.028 59 HG3 ARG 7 3HG ARG 7 -7.921 -10.908 -3.224 60 HD2 ARG 7 2HD ARG 7 -8.725 -12.716 -2.199 61 HD3 ARG 7 3HD ARG 7 -9.343 -11.761 -0.853 62 HE ARG 7 HE ARG 7 -10.827 -12.745 -3.098 63 HH11 ARG 7 1HH1 ARG 7 -10.657 -10.243 -0.683 64 HH12 ARG 7 2HH1 ARG 7 -12.356 -9.902 -0.729 65 HH21 ARG 7 1HH2 ARG 7 -13.064 -12.307 -3.167 66 HH22 ARG 7 2HH2 ARG 7 -13.724 -11.078 -2.141 67 H LYS 8 H LYS 8 -5.864 -9.538 -2.627 68 HA LYS 8 HA LYS 8 -4.761 -12.038 -3.573 69 HB2 LYS 8 2HB LYS 8 -3.787 -10.529 -5.377 70 HB3 LYS 8 3HB LYS 8 -5.541 -10.615 -5.290 71 HG2 LYS 8 2HG LYS 8 -5.737 -8.471 -4.450 72 HG3 LYS 8 3HG LYS 8 -4.074 -8.442 -3.858 73 HD2 LYS 8 2HD LYS 8 -4.642 -8.650 -6.792 74 HD3 LYS 8 3HD LYS 8 -4.689 -7.083 -5.980 75 HE2 LYS 8 2HE LYS 8 -2.419 -7.212 -5.377 76 HE3 LYS 8 3HE LYS 8 -2.339 -8.938 -5.729 77 HZ1 LYS 8 1HZ LYS 8 -2.926 -6.978 -7.857 78 HZ2 LYS 8 2HZ LYS 8 -2.325 -8.552 -8.004 79 HZ3 LYS 8 3HZ LYS 8 -1.331 -7.320 -7.406 80 H CYS 9 H CYS 9 -2.869 -12.824 -2.951 81 HA CYS 9 HA CYS 9 -0.831 -10.949 -1.945 82 HB2 CYS 9 2HB CYS 9 0.029 -12.954 -0.651 83 HB3 CYS 9 3HB CYS 9 -1.516 -12.303 -0.117 84 HG CYS 9 HG CYS 9 -1.159 -15.264 -0.213 85 HA PRO 10 HA PRO 10 0.869 -12.896 -5.781 86 HB2 PRO 10 2HB PRO 10 2.026 -10.615 -6.692 87 HB3 PRO 10 3HB PRO 10 0.339 -11.032 -7.015 88 HG2 PRO 10 2HG PRO 10 1.472 -9.182 -4.951 89 HG3 PRO 10 3HG PRO 10 0.057 -8.960 -5.998 90 HD2 PRO 10 2HD PRO 10 -0.152 -9.715 -3.406 91 HD3 PRO 10 3HD PRO 10 -1.298 -10.250 -4.652 92 H LEU 11 H LEU 11 2.432 -10.457 -3.704 93 HA LEU 11 HA LEU 11 4.901 -12.060 -3.826 94 HB2 LEU 11 2HB LEU 11 5.436 -9.454 -2.846 95 HB3 LEU 11 3HB LEU 11 6.007 -10.213 -4.331 96 HG LEU 11 HG LEU 11 3.351 -8.813 -4.173 97 HD11 LEU 11 1HD1 LEU 11 5.028 -7.108 -5.510 98 HD12 LEU 11 2HD1 LEU 11 6.028 -7.660 -4.167 99 HD13 LEU 11 3HD1 LEU 11 4.465 -6.906 -3.851 100 HD21 LEU 11 1HD2 LEU 11 4.282 -10.454 -6.067 101 HD22 LEU 11 2HD2 LEU 11 5.005 -8.944 -6.622 102 HD23 LEU 11 3HD2 LEU 11 3.256 -9.064 -6.422 103 H PHE 12 H PHE 12 3.913 -9.443 -1.650 104 HA PHE 12 HA PHE 12 4.155 -11.330 0.600 105 HB2 PHE 12 2HB PHE 12 4.713 -8.866 1.696 106 HB3 PHE 12 3HB PHE 12 5.909 -10.074 1.240 107 HD1 PHE 12 HD1 PHE 12 4.233 -6.969 0.215 108 HD2 PHE 12 HD2 PHE 12 7.325 -9.763 -0.652 109 HE1 PHE 12 HE1 PHE 12 5.208 -5.386 -1.397 110 HE2 PHE 12 HE2 PHE 12 8.305 -8.184 -2.265 111 HZ PHE 12 HZ PHE 12 7.247 -5.992 -2.638 112 H GLY 13 H GLY 13 1.926 -11.695 0.696 113 HA2 GLY 13 2HA GLY 13 0.202 -9.369 1.167 114 HA3 GLY 13 3HA GLY 13 -0.343 -11.004 0.824 115 H LYS 14 H LYS 14 2.070 -11.341 3.008 116 HA LYS 14 HA LYS 14 0.353 -12.104 5.109 117 HB2 LYS 14 2HB LYS 14 2.439 -12.302 6.445 118 HB3 LYS 14 3HB LYS 14 2.533 -13.115 4.888 119 HG2 LYS 14 2HG LYS 14 4.510 -12.071 4.746 120 HG3 LYS 14 3HG LYS 14 3.532 -10.693 4.237 121 HD2 LYS 14 2HD LYS 14 3.406 -10.394 6.910 122 HD3 LYS 14 3HD LYS 14 4.987 -11.165 6.764 123 HE2 LYS 14 2HE LYS 14 4.270 -8.859 4.999 124 HE3 LYS 14 3HE LYS 14 4.793 -8.571 6.658 125 HZ1 LYS 14 1HZ LYS 14 6.535 -8.614 4.782 126 HZ2 LYS 14 2HZ LYS 14 6.391 -10.296 4.884 127 HZ3 LYS 14 3HZ LYS 14 6.885 -9.406 6.235 128 H GLY 15 H GLY 15 2.324 -9.204 4.589 129 HA2 GLY 15 2HA GLY 15 0.895 -7.954 6.855 130 HA3 GLY 15 3HA GLY 15 2.568 -7.592 6.459 131 H GLY 16 H GLY 16 1.971 -7.625 3.549 132 HA2 GLY 16 2HA GLY 16 1.549 -6.031 1.948 133 HA3 GLY 16 3HA GLY 16 0.006 -5.851 2.769 Start of MODEL 5 1 H1 VAL 1 H VAL 1 1.724 -0.789 0.466 2 HA VAL 1 HA VAL 1 2.267 0.857 -1.758 3 HB VAL 1 HB VAL 1 4.029 -0.745 -2.319 4 HG11 VAL 1 1HG1 VAL 1 5.335 -0.024 -0.644 5 HG12 VAL 1 2HG1 VAL 1 3.883 0.809 -0.084 6 HG13 VAL 1 3HG1 VAL 1 4.318 -0.760 0.595 7 HG21 VAL 1 1HG2 VAL 1 2.959 -2.458 -0.083 8 HG22 VAL 1 2HG2 VAL 1 2.682 -2.781 -1.794 9 HG23 VAL 1 3HG2 VAL 1 4.322 -2.812 -1.145 10 H ALA 2 H ALA 2 0.441 -2.078 -1.394 11 HA ALA 2 HA ALA 2 -0.078 -2.069 -4.295 12 HB1 ALA 2 1HB ALA 2 1.269 -4.046 -3.193 13 HB2 ALA 2 2HB ALA 2 -0.348 -4.599 -2.754 14 HB3 ALA 2 3HB ALA 2 0.067 -4.346 -4.449 15 H ARG 3 H ARG 3 -2.116 -1.617 -4.776 16 HA ARG 3 HA ARG 3 -4.137 -1.093 -2.993 17 HB2 ARG 3 2HB ARG 3 -5.617 -1.005 -4.827 18 HB3 ARG 3 3HB ARG 3 -4.044 -0.576 -5.486 19 HG2 ARG 3 2HG ARG 3 -5.161 -3.362 -5.617 20 HG3 ARG 3 3HG ARG 3 -5.439 -2.149 -6.869 21 HD2 ARG 3 2HD ARG 3 -2.791 -3.269 -5.967 22 HD3 ARG 3 3HD ARG 3 -3.581 -3.525 -7.521 23 HE ARG 3 HE ARG 3 -2.035 -1.239 -6.716 24 HH11 ARG 3 1HH1 ARG 3 -4.513 -2.413 -8.861 25 HH12 ARG 3 2HH1 ARG 3 -4.245 -1.185 -10.054 26 HH21 ARG 3 1HH2 ARG 3 -1.673 0.383 -8.278 27 HH22 ARG 3 2HH2 ARG 3 -2.629 0.404 -9.722 28 H GLY 4 H GLY 4 -3.142 -4.173 -4.299 29 HA2 GLY 4 2HA GLY 4 -5.324 -5.465 -2.780 30 HA3 GLY 4 3HA GLY 4 -4.648 -6.129 -4.260 31 H TRP 5 H TRP 5 -4.443 -6.026 -0.871 32 HA TRP 5 HA TRP 5 -1.959 -7.610 -0.961 33 HB2 TRP 5 2HB TRP 5 -2.825 -5.439 0.890 34 HB3 TRP 5 3HB TRP 5 -1.889 -6.771 1.564 35 HD1 TRP 5 HD1 TRP 5 -1.117 -3.516 0.770 36 HE1 TRP 5 HE1 TRP 5 1.196 -3.194 -0.312 37 HE3 TRP 5 HE3 TRP 5 -0.254 -8.322 -0.743 38 HZ2 TRP 5 HZ2 TRP 5 3.130 -4.769 -1.634 39 HZ3 TRP 5 HZ3 TRP 5 1.852 -8.830 -1.911 40 HH2 TRP 5 HH2 TRP 5 3.507 -7.089 -2.346 41 H LYS 6 H LYS 6 -4.240 -6.999 1.679 42 HA LYS 6 HA LYS 6 -4.314 -9.297 2.973 43 HB2 LYS 6 2HB LYS 6 -6.845 -9.028 3.204 44 HB3 LYS 6 3HB LYS 6 -5.849 -7.659 3.678 45 HG2 LYS 6 2HG LYS 6 -6.270 -6.707 1.383 46 HG3 LYS 6 3HG LYS 6 -7.474 -7.980 1.172 47 HD2 LYS 6 2HD LYS 6 -7.779 -6.575 3.697 48 HD3 LYS 6 3HD LYS 6 -7.893 -5.491 2.309 49 HE2 LYS 6 2HE LYS 6 -9.918 -6.257 1.796 50 HE3 LYS 6 3HE LYS 6 -9.354 -7.927 1.825 51 HZ1 LYS 6 1HZ LYS 6 -10.383 -8.239 3.744 52 HZ2 LYS 6 2HZ LYS 6 -11.026 -6.677 3.648 53 HZ3 LYS 6 3HZ LYS 6 -9.566 -6.942 4.461 54 H ARG 7 H ARG 7 -6.205 -8.822 -0.009 55 HA ARG 7 HA ARG 7 -6.853 -11.636 -0.141 56 HB2 ARG 7 2HB ARG 7 -7.516 -9.231 -1.808 57 HB3 ARG 7 3HB ARG 7 -7.812 -10.849 -2.432 58 HG2 ARG 7 2HG ARG 7 -9.353 -11.333 -0.700 59 HG3 ARG 7 3HG ARG 7 -8.891 -9.889 0.203 60 HD2 ARG 7 2HD ARG 7 -10.026 -8.472 -1.221 61 HD3 ARG 7 3HD ARG 7 -9.960 -9.608 -2.569 62 HE ARG 7 HE ARG 7 -11.531 -10.700 -0.508 63 HH11 ARG 7 1HH1 ARG 7 -11.597 -8.158 -2.885 64 HH12 ARG 7 2HH1 ARG 7 -13.324 -8.155 -3.025 65 HH21 ARG 7 1HH2 ARG 7 -13.805 -10.707 -0.683 66 HH22 ARG 7 2HH2 ARG 7 -14.579 -9.605 -1.772 67 H LYS 8 H LYS 8 -5.592 -9.548 -2.724 68 HA LYS 8 HA LYS 8 -4.178 -11.730 -3.921 69 HB2 LYS 8 2HB LYS 8 -4.087 -8.770 -4.532 70 HB3 LYS 8 3HB LYS 8 -3.396 -10.036 -5.538 71 HG2 LYS 8 2HG LYS 8 -6.305 -10.052 -4.839 72 HG3 LYS 8 3HG LYS 8 -5.691 -9.064 -6.166 73 HD2 LYS 8 2HD LYS 8 -5.953 -10.893 -7.428 74 HD3 LYS 8 3HD LYS 8 -4.505 -11.500 -6.623 75 HE2 LYS 8 2HE LYS 8 -5.949 -13.239 -6.251 76 HE3 LYS 8 3HE LYS 8 -6.233 -12.274 -4.803 77 HZ1 LYS 8 1HZ LYS 8 -7.996 -12.828 -7.030 78 HZ2 LYS 8 2HZ LYS 8 -8.011 -11.222 -6.501 79 HZ3 LYS 8 3HZ LYS 8 -8.366 -12.473 -5.418 80 H CYS 9 H CYS 9 -2.320 -12.491 -3.173 81 HA CYS 9 HA CYS 9 -0.408 -10.600 -1.970 82 HB2 CYS 9 2HB CYS 9 0.496 -12.644 -0.777 83 HB3 CYS 9 3HB CYS 9 -1.102 -12.110 -0.269 84 HG CYS 9 HG CYS 9 -1.264 -14.374 -2.696 85 HA PRO 10 HA PRO 10 1.493 -12.260 -5.864 86 HB2 PRO 10 2HB PRO 10 2.465 -9.862 -6.686 87 HB3 PRO 10 3HB PRO 10 0.827 -10.412 -7.058 88 HG2 PRO 10 2HG PRO 10 1.755 -8.534 -4.919 89 HG3 PRO 10 3HG PRO 10 0.347 -8.403 -5.990 90 HD2 PRO 10 2HD PRO 10 0.153 -9.250 -3.426 91 HD3 PRO 10 3HD PRO 10 -0.917 -9.845 -4.711 92 H LEU 11 H LEU 11 2.758 -9.841 -3.586 93 HA LEU 11 HA LEU 11 5.369 -11.199 -3.726 94 HB2 LEU 11 2HB LEU 11 5.663 -8.582 -2.670 95 HB3 LEU 11 3HB LEU 11 6.336 -9.256 -4.154 96 HG LEU 11 HG LEU 11 3.572 -8.077 -4.041 97 HD11 LEU 11 1HD1 LEU 11 5.101 -6.201 -5.291 98 HD12 LEU 11 2HD1 LEU 11 6.164 -6.720 -3.983 99 HD13 LEU 11 3HD1 LEU 11 4.550 -6.109 -3.619 100 HD21 LEU 11 1HD2 LEU 11 3.572 -8.241 -6.310 101 HD22 LEU 11 2HD2 LEU 11 4.628 -9.605 -5.938 102 HD23 LEU 11 3HD2 LEU 11 5.322 -8.062 -6.437 103 H PHE 12 H PHE 12 4.095 -8.734 -1.518 104 HA PHE 12 HA PHE 12 4.450 -10.648 0.694 105 HB2 PHE 12 2HB PHE 12 4.741 -8.143 1.836 106 HB3 PHE 12 3HB PHE 12 6.046 -9.259 1.448 107 HD1 PHE 12 HD1 PHE 12 4.208 -6.281 0.337 108 HD2 PHE 12 HD2 PHE 12 7.521 -8.855 -0.384 109 HE1 PHE 12 HE1 PHE 12 5.144 -4.632 -1.231 110 HE2 PHE 12 HE2 PHE 12 8.463 -7.209 -1.952 111 HZ PHE 12 HZ PHE 12 7.275 -5.094 -2.377 112 H GLY 13 H GLY 13 2.241 -11.202 0.646 113 HA2 GLY 13 2HA GLY 13 0.302 -9.063 1.126 114 HA3 GLY 13 3HA GLY 13 -0.073 -10.741 0.762 115 H LYS 14 H LYS 14 2.312 -10.817 3.017 116 HA LYS 14 HA LYS 14 0.529 -11.654 5.088 117 HB2 LYS 14 2HB LYS 14 2.643 -11.889 6.425 118 HB3 LYS 14 3HB LYS 14 2.625 -12.785 4.911 119 HG2 LYS 14 2HG LYS 14 3.715 -10.180 4.462 120 HG3 LYS 14 3HG LYS 14 4.548 -10.951 5.814 121 HD2 LYS 14 2HD LYS 14 4.118 -12.185 3.093 122 HD3 LYS 14 3HD LYS 14 5.619 -11.444 3.653 123 HE2 LYS 14 2HE LYS 14 5.104 -13.206 5.660 124 HE3 LYS 14 3HE LYS 14 4.457 -14.071 4.267 125 HZ1 LYS 14 1HZ LYS 14 6.833 -14.527 4.739 126 HZ2 LYS 14 2HZ LYS 14 7.187 -12.915 4.370 127 HZ3 LYS 14 3HZ LYS 14 6.554 -13.935 3.178 128 H GLY 15 H GLY 15 2.407 -8.759 4.426 129 HA2 GLY 15 2HA GLY 15 1.217 -7.533 6.838 130 HA3 GLY 15 3HA GLY 15 2.822 -7.126 6.250 131 H GLY 16 H GLY 16 1.988 -7.142 3.439 132 HA2 GLY 16 2HA GLY 16 1.356 -5.557 1.898 133 HA3 GLY 16 3HA GLY 16 -0.133 -5.488 2.829 Start of MODEL 6 1 H1 VAL 1 H VAL 1 1.629 0.637 0.068 2 HA VAL 1 HA VAL 1 3.838 0.350 -1.827 3 HB VAL 1 HB VAL 1 2.575 -1.562 0.129 4 HG11 VAL 1 1HG1 VAL 1 4.525 -3.072 -0.707 5 HG12 VAL 1 2HG1 VAL 1 3.002 -3.034 -1.597 6 HG13 VAL 1 3HG1 VAL 1 4.389 -2.113 -2.180 7 HG21 VAL 1 1HG2 VAL 1 4.853 -1.611 1.066 8 HG22 VAL 1 2HG2 VAL 1 5.360 -0.431 -0.142 9 HG23 VAL 1 3HG2 VAL 1 4.162 0.011 1.074 10 H ALA 2 H ALA 2 1.078 -1.795 -1.213 11 HA ALA 2 HA ALA 2 0.482 -1.731 -4.100 12 HB1 ALA 2 1HB ALA 2 -0.063 -4.214 -2.570 13 HB2 ALA 2 2HB ALA 2 0.400 -4.001 -4.258 14 HB3 ALA 2 3HB ALA 2 1.612 -3.854 -2.986 15 H ARG 3 H ARG 3 -1.501 -1.039 -4.521 16 HA ARG 3 HA ARG 3 -3.399 -0.315 -2.660 17 HB2 ARG 3 2HB ARG 3 -4.852 0.086 -4.442 18 HB3 ARG 3 3HB ARG 3 -3.263 0.211 -5.183 19 HG2 ARG 3 2HG ARG 3 -3.607 -2.295 -5.751 20 HG3 ARG 3 3HG ARG 3 -5.311 -1.943 -5.457 21 HD2 ARG 3 2HD ARG 3 -5.326 -0.263 -7.161 22 HD3 ARG 3 3HD ARG 3 -3.576 -0.370 -7.351 23 HE ARG 3 HE ARG 3 -3.860 -2.226 -8.670 24 HH11 ARG 3 1HH1 ARG 3 -6.841 -1.504 -7.023 25 HH12 ARG 3 2HH1 ARG 3 -7.772 -2.648 -7.932 26 HH21 ARG 3 1HH2 ARG 3 -5.075 -3.736 -9.873 27 HH22 ARG 3 2HH2 ARG 3 -6.767 -3.918 -9.552 28 H GLY 4 H GLY 4 -2.804 -3.446 -4.079 29 HA2 GLY 4 2HA GLY 4 -5.093 -4.519 -2.547 30 HA3 GLY 4 3HA GLY 4 -4.540 -5.205 -4.067 31 H TRP 5 H TRP 5 -4.253 -5.267 -0.688 32 HA TRP 5 HA TRP 5 -1.980 -7.131 -0.901 33 HB2 TRP 5 2HB TRP 5 -2.520 -4.934 1.038 34 HB3 TRP 5 3HB TRP 5 -1.749 -6.395 1.649 35 HD1 TRP 5 HD1 TRP 5 -0.586 -3.239 0.925 36 HE1 TRP 5 HE1 TRP 5 1.726 -3.180 -0.205 37 HE3 TRP 5 HE3 TRP 5 -0.372 -8.069 -0.736 38 HZ2 TRP 5 HZ2 TRP 5 3.416 -4.948 -1.615 39 HZ3 TRP 5 HZ3 TRP 5 1.627 -8.805 -1.967 40 HH2 TRP 5 HH2 TRP 5 3.480 -7.275 -2.397 41 H LYS 6 H LYS 6 -4.088 -6.342 1.832 42 HA LYS 6 HA LYS 6 -4.415 -8.658 3.050 43 HB2 LYS 6 2HB LYS 6 -6.986 -8.048 3.165 44 HB3 LYS 6 3HB LYS 6 -5.775 -7.061 3.973 45 HG2 LYS 6 2HG LYS 6 -5.780 -5.507 2.089 46 HG3 LYS 6 3HG LYS 6 -6.993 -6.498 1.275 47 HD2 LYS 6 2HD LYS 6 -7.554 -5.538 4.039 48 HD3 LYS 6 3HD LYS 6 -7.678 -4.389 2.705 49 HE2 LYS 6 2HE LYS 6 -8.971 -6.978 2.218 50 HE3 LYS 6 3HE LYS 6 -9.677 -6.043 3.536 51 HZ1 LYS 6 1HZ LYS 6 -9.171 -4.369 1.314 52 HZ2 LYS 6 2HZ LYS 6 -10.642 -4.706 2.078 53 HZ3 LYS 6 3HZ LYS 6 -10.094 -5.699 0.823 54 H ARG 7 H ARG 7 -6.318 -7.846 0.149 55 HA ARG 7 HA ARG 7 -7.324 -10.546 -0.054 56 HB2 ARG 7 2HB ARG 7 -8.748 -8.655 -0.682 57 HB3 ARG 7 3HB ARG 7 -7.596 -8.189 -1.927 58 HG2 ARG 7 2HG ARG 7 -9.458 -9.334 -2.929 59 HG3 ARG 7 3HG ARG 7 -8.007 -10.327 -3.074 60 HD2 ARG 7 2HD ARG 7 -9.151 -11.085 -0.652 61 HD3 ARG 7 3HD ARG 7 -10.515 -10.899 -1.754 62 HE ARG 7 HE ARG 7 -8.730 -12.355 -3.187 63 HH11 ARG 7 1HH1 ARG 7 -10.155 -12.709 -0.030 64 HH12 ARG 7 2HH1 ARG 7 -10.092 -14.440 -0.053 65 HH21 ARG 7 1HH2 ARG 7 -8.642 -14.634 -3.229 66 HH22 ARG 7 2HH2 ARG 7 -9.231 -15.534 -1.872 67 H LYS 8 H LYS 8 -5.811 -8.551 -2.579 68 HA LYS 8 HA LYS 8 -4.722 -10.875 -3.863 69 HB2 LYS 8 2HB LYS 8 -4.504 -7.917 -4.405 70 HB3 LYS 8 3HB LYS 8 -3.646 -9.115 -5.366 71 HG2 LYS 8 2HG LYS 8 -6.544 -9.548 -5.018 72 HG3 LYS 8 3HG LYS 8 -6.062 -8.167 -6.007 73 HD2 LYS 8 2HD LYS 8 -6.183 -9.856 -7.578 74 HD3 LYS 8 3HD LYS 8 -4.471 -9.889 -7.146 75 HE2 LYS 8 2HE LYS 8 -4.818 -11.761 -5.685 76 HE3 LYS 8 3HE LYS 8 -6.566 -11.658 -5.893 77 HZ1 LYS 8 1HZ LYS 8 -4.634 -12.278 -8.061 78 HZ2 LYS 8 2HZ LYS 8 -6.320 -12.264 -8.196 79 HZ3 LYS 8 3HZ LYS 8 -5.558 -13.427 -7.232 80 H CYS 9 H CYS 9 -2.966 -11.872 -3.142 81 HA CYS 9 HA CYS 9 -0.805 -10.244 -1.976 82 HB2 CYS 9 2HB CYS 9 -0.141 -12.388 -0.806 83 HB3 CYS 9 3HB CYS 9 -1.653 -11.668 -0.268 84 HG CYS 9 HG CYS 9 -3.208 -13.654 -0.838 85 HA PRO 10 HA PRO 10 0.786 -12.108 -5.918 86 HB2 PRO 10 2HB PRO 10 2.027 -9.845 -6.759 87 HB3 PRO 10 3HB PRO 10 0.326 -10.188 -7.094 88 HG2 PRO 10 2HG PRO 10 1.526 -8.446 -4.975 89 HG3 PRO 10 3HG PRO 10 0.121 -8.139 -6.013 90 HD2 PRO 10 2HD PRO 10 -0.118 -8.966 -3.445 91 HD3 PRO 10 3HD PRO 10 -1.282 -9.419 -4.707 92 H LEU 11 H LEU 11 2.381 -9.888 -3.646 93 HA LEU 11 HA LEU 11 4.811 -11.541 -3.866 94 HB2 LEU 11 2HB LEU 11 5.423 -8.991 -2.775 95 HB3 LEU 11 3HB LEU 11 5.996 -9.718 -4.275 96 HG LEU 11 HG LEU 11 3.389 -8.227 -4.109 97 HD11 LEU 11 1HD1 LEU 11 4.600 -6.393 -3.684 98 HD12 LEU 11 2HD1 LEU 11 5.108 -6.529 -5.367 99 HD13 LEU 11 3HD1 LEU 11 6.124 -7.186 -4.084 100 HD21 LEU 11 1HD2 LEU 11 3.330 -8.374 -6.375 101 HD22 LEU 11 2HD2 LEU 11 4.239 -9.847 -6.037 102 HD23 LEU 11 3HD2 LEU 11 5.086 -8.382 -6.535 103 H PHE 12 H PHE 12 3.880 -8.985 -1.590 104 HA PHE 12 HA PHE 12 4.056 -10.968 0.582 105 HB2 PHE 12 2HB PHE 12 4.655 -8.525 1.749 106 HB3 PHE 12 3HB PHE 12 5.810 -9.787 1.334 107 HD1 PHE 12 HD1 PHE 12 4.353 -6.586 0.300 108 HD2 PHE 12 HD2 PHE 12 7.277 -9.561 -0.545 109 HE1 PHE 12 HE1 PHE 12 5.460 -5.047 -1.269 110 HE2 PHE 12 HE2 PHE 12 8.390 -8.027 -2.114 111 HZ PHE 12 HZ PHE 12 7.482 -5.767 -2.478 112 H GLY 13 H GLY 13 1.814 -11.277 0.635 113 HA2 GLY 13 2HA GLY 13 0.051 -9.004 0.977 114 HA3 GLY 13 3HA GLY 13 -0.417 -10.698 0.961 115 H LYS 14 H LYS 14 1.937 -10.940 3.025 116 HA LYS 14 HA LYS 14 0.226 -10.885 5.320 117 HB2 LYS 14 2HB LYS 14 3.218 -11.238 5.364 118 HB3 LYS 14 3HB LYS 14 2.033 -11.860 6.506 119 HG2 LYS 14 2HG LYS 14 2.065 -13.769 5.387 120 HG3 LYS 14 3HG LYS 14 1.301 -12.929 4.034 121 HD2 LYS 14 2HD LYS 14 3.252 -13.994 3.184 122 HD3 LYS 14 3HD LYS 14 3.606 -12.267 3.278 123 HE2 LYS 14 2HE LYS 14 5.517 -13.265 4.157 124 HE3 LYS 14 3HE LYS 14 4.595 -12.812 5.589 125 HZ1 LYS 14 1HZ LYS 14 4.374 -15.509 4.402 126 HZ2 LYS 14 2HZ LYS 14 3.963 -15.008 5.964 127 HZ3 LYS 14 3HZ LYS 14 5.590 -15.134 5.518 128 H GLY 15 H GLY 15 3.215 -9.134 4.458 129 HA2 GLY 15 2HA GLY 15 2.615 -7.187 6.574 130 HA3 GLY 15 3HA GLY 15 4.164 -7.382 5.767 131 H GLY 16 H GLY 16 1.073 -7.197 4.102 132 HA2 GLY 16 2HA GLY 16 1.862 -5.371 2.191 133 HA3 GLY 16 3HA GLY 16 0.194 -5.612 2.689 Start of MODEL 7 1 H1 VAL 1 H VAL 1 0.309 -0.385 0.035 2 HA VAL 1 HA VAL 1 2.245 0.816 -1.235 3 HB VAL 1 HB VAL 1 4.072 -0.714 -1.784 4 HG11 VAL 1 1HG1 VAL 1 5.273 -0.112 0.021 5 HG12 VAL 1 2HG1 VAL 1 3.791 0.718 0.500 6 HG13 VAL 1 3HG1 VAL 1 4.157 -0.881 1.149 7 HG21 VAL 1 1HG2 VAL 1 2.714 -2.797 -1.439 8 HG22 VAL 1 2HG2 VAL 1 4.340 -2.848 -0.758 9 HG23 VAL 1 3HG2 VAL 1 2.951 -2.583 0.296 10 H ALA 2 H ALA 2 0.413 -2.121 -1.136 11 HA ALA 2 HA ALA 2 0.108 -1.997 -4.065 12 HB1 ALA 2 1HB ALA 2 -0.281 -4.571 -2.614 13 HB2 ALA 2 2HB ALA 2 0.204 -4.280 -4.285 14 HB3 ALA 2 3HB ALA 2 1.357 -4.025 -2.975 15 H ARG 3 H ARG 3 -1.886 -1.519 -4.689 16 HA ARG 3 HA ARG 3 -4.028 -0.994 -3.069 17 HB2 ARG 3 2HB ARG 3 -5.346 -0.846 -4.996 18 HB3 ARG 3 3HB ARG 3 -3.717 -0.535 -5.581 19 HG2 ARG 3 2HG ARG 3 -3.719 -3.116 -6.031 20 HG3 ARG 3 3HG ARG 3 -5.470 -2.899 -6.014 21 HD2 ARG 3 2HD ARG 3 -3.605 -1.243 -7.701 22 HD3 ARG 3 3HD ARG 3 -4.374 -2.723 -8.273 23 HE ARG 3 HE ARG 3 -6.418 -1.150 -7.322 24 HH11 ARG 3 1HH1 ARG 3 -3.939 -0.865 -9.750 25 HH12 ARG 3 2HH1 ARG 3 -4.879 0.169 -10.774 26 HH21 ARG 3 1HH2 ARG 3 -7.665 0.212 -8.662 27 HH22 ARG 3 2HH2 ARG 3 -6.997 0.782 -10.154 28 H GLY 4 H GLY 4 -2.983 -4.088 -4.315 29 HA2 GLY 4 2HA GLY 4 -5.246 -5.355 -2.898 30 HA3 GLY 4 3HA GLY 4 -4.544 -6.013 -4.368 31 H TRP 5 H TRP 5 -4.466 -6.019 -0.988 32 HA TRP 5 HA TRP 5 -1.982 -7.605 -1.023 33 HB2 TRP 5 2HB TRP 5 -2.924 -5.495 0.857 34 HB3 TRP 5 3HB TRP 5 -2.035 -6.856 1.535 35 HD1 TRP 5 HD1 TRP 5 -1.191 -3.588 0.901 36 HE1 TRP 5 HE1 TRP 5 1.175 -3.253 -0.055 37 HE3 TRP 5 HE3 TRP 5 -0.303 -8.343 -0.752 38 HZ2 TRP 5 HZ2 TRP 5 3.155 -4.800 -1.341 39 HZ3 TRP 5 HZ3 TRP 5 1.852 -8.832 -1.834 40 HH2 TRP 5 HH2 TRP 5 3.544 -7.096 -2.122 41 H LYS 6 H LYS 6 -4.358 -7.089 1.549 42 HA LYS 6 HA LYS 6 -4.504 -9.419 2.758 43 HB2 LYS 6 2HB LYS 6 -7.148 -9.135 2.599 44 HB3 LYS 6 3HB LYS 6 -6.147 -8.047 3.552 45 HG2 LYS 6 2HG LYS 6 -6.517 -7.276 0.740 46 HG3 LYS 6 3HG LYS 6 -7.971 -7.240 1.740 47 HD2 LYS 6 2HD LYS 6 -7.218 -5.515 3.005 48 HD3 LYS 6 3HD LYS 6 -5.536 -6.046 2.918 49 HE2 LYS 6 2HE LYS 6 -5.133 -4.559 1.321 50 HE3 LYS 6 3HE LYS 6 -6.380 -5.286 0.309 51 HZ1 LYS 6 1HZ LYS 6 -7.533 -3.428 0.565 52 HZ2 LYS 6 2HZ LYS 6 -6.426 -2.815 1.688 53 HZ3 LYS 6 3HZ LYS 6 -7.709 -3.786 2.210 54 H ARG 7 H ARG 7 -6.383 -8.888 -0.231 55 HA ARG 7 HA ARG 7 -6.938 -11.698 -0.498 56 HB2 ARG 7 2HB ARG 7 -7.584 -9.240 -2.080 57 HB3 ARG 7 3HB ARG 7 -7.777 -10.821 -2.826 58 HG2 ARG 7 2HG ARG 7 -9.073 -9.993 -0.238 59 HG3 ARG 7 3HG ARG 7 -9.852 -9.922 -1.820 60 HD2 ARG 7 2HD ARG 7 -8.879 -12.490 -1.729 61 HD3 ARG 7 3HD ARG 7 -9.376 -12.201 -0.062 62 HE ARG 7 HE ARG 7 -11.079 -12.589 -2.309 63 HH11 ARG 7 1HH1 ARG 7 -10.806 -10.897 0.721 64 HH12 ARG 7 2HH1 ARG 7 -12.518 -10.779 0.959 65 HH21 ARG 7 1HH2 ARG 7 -13.335 -12.440 -2.007 66 HH22 ARG 7 2HH2 ARG 7 -13.956 -11.658 -0.593 67 H LYS 8 H LYS 8 -5.581 -9.517 -2.954 68 HA LYS 8 HA LYS 8 -4.103 -11.651 -4.160 69 HB2 LYS 8 2HB LYS 8 -4.864 -8.962 -4.837 70 HB3 LYS 8 3HB LYS 8 -3.142 -9.177 -5.125 71 HG2 LYS 8 2HG LYS 8 -3.769 -9.986 -7.105 72 HG3 LYS 8 3HG LYS 8 -4.183 -11.452 -6.213 73 HD2 LYS 8 2HD LYS 8 -6.234 -9.325 -6.274 74 HD3 LYS 8 3HD LYS 8 -5.914 -10.150 -7.801 75 HE2 LYS 8 2HE LYS 8 -6.040 -12.201 -5.948 76 HE3 LYS 8 3HE LYS 8 -7.305 -11.088 -5.430 77 HZ1 LYS 8 1HZ LYS 8 -8.546 -11.535 -7.224 78 HZ2 LYS 8 2HZ LYS 8 -7.622 -12.947 -7.325 79 HZ3 LYS 8 3HZ LYS 8 -7.222 -11.606 -8.275 80 H CYS 9 H CYS 9 -2.267 -12.424 -3.372 81 HA CYS 9 HA CYS 9 -0.418 -10.561 -2.033 82 HB2 CYS 9 2HB CYS 9 0.434 -12.633 -0.844 83 HB3 CYS 9 3HB CYS 9 -1.180 -12.099 -0.390 84 HG CYS 9 HG CYS 9 -0.509 -14.682 -2.535 85 HA PRO 10 HA PRO 10 1.656 -12.138 -5.870 86 HB2 PRO 10 2HB PRO 10 2.683 -9.728 -6.582 87 HB3 PRO 10 3HB PRO 10 1.060 -10.255 -7.044 88 HG2 PRO 10 2HG PRO 10 1.901 -8.441 -4.815 89 HG3 PRO 10 3HG PRO 10 0.545 -8.271 -5.946 90 HD2 PRO 10 2HD PRO 10 0.226 -9.183 -3.417 91 HD3 PRO 10 3HD PRO 10 -0.788 -9.734 -4.766 92 H LEU 11 H LEU 11 2.828 -9.796 -3.466 93 HA LEU 11 HA LEU 11 5.436 -11.167 -3.527 94 HB2 LEU 11 2HB LEU 11 5.685 -8.582 -2.378 95 HB3 LEU 11 3HB LEU 11 6.437 -9.219 -3.840 96 HG LEU 11 HG LEU 11 3.676 -8.026 -3.845 97 HD11 LEU 11 1HD1 LEU 11 6.271 -6.690 -3.626 98 HD12 LEU 11 2HD1 LEU 11 4.646 -6.078 -3.320 99 HD13 LEU 11 3HD1 LEU 11 5.273 -6.129 -4.968 100 HD21 LEU 11 1HD2 LEU 11 4.819 -9.516 -5.721 101 HD22 LEU 11 2HD2 LEU 11 5.550 -7.968 -6.145 102 HD23 LEU 11 3HD2 LEU 11 3.794 -8.136 -6.115 103 H PHE 12 H PHE 12 4.071 -8.763 -1.305 104 HA PHE 12 HA PHE 12 4.317 -10.746 0.861 105 HB2 PHE 12 2HB PHE 12 4.554 -8.266 2.081 106 HB3 PHE 12 3HB PHE 12 5.869 -9.387 1.745 107 HD1 PHE 12 HD1 PHE 12 4.134 -6.361 0.609 108 HD2 PHE 12 HD2 PHE 12 7.440 -8.969 -0.008 109 HE1 PHE 12 HE1 PHE 12 5.171 -4.690 -0.869 110 HE2 PHE 12 HE2 PHE 12 8.484 -7.302 -1.486 111 HZ PHE 12 HZ PHE 12 7.350 -5.159 -1.918 112 H GLY 13 H GLY 13 2.127 -11.304 0.755 113 HA2 GLY 13 2HA GLY 13 0.098 -9.251 0.982 114 HA3 GLY 13 3HA GLY 13 -0.172 -10.987 0.930 115 H LYS 14 H LYS 14 2.049 -10.976 3.152 116 HA LYS 14 HA LYS 14 0.188 -11.135 5.323 117 HB2 LYS 14 2HB LYS 14 3.190 -11.160 5.574 118 HB3 LYS 14 3HB LYS 14 2.005 -11.919 6.629 119 HG2 LYS 14 2HG LYS 14 2.325 -13.802 5.511 120 HG3 LYS 14 3HG LYS 14 1.563 -13.039 4.113 121 HD2 LYS 14 2HD LYS 14 3.675 -13.879 3.398 122 HD3 LYS 14 3HD LYS 14 3.820 -12.123 3.504 123 HE2 LYS 14 2HE LYS 14 5.619 -12.453 4.773 124 HE3 LYS 14 3HE LYS 14 4.525 -13.026 6.032 125 HZ1 LYS 14 1HZ LYS 14 5.629 -14.806 3.937 126 HZ2 LYS 14 2HZ LYS 14 4.851 -15.250 5.372 127 HZ3 LYS 14 3HZ LYS 14 6.395 -14.561 5.425 128 H GLY 15 H GLY 15 3.008 -9.052 4.657 129 HA2 GLY 15 2HA GLY 15 2.064 -7.207 6.740 130 HA3 GLY 15 3HA GLY 15 3.672 -7.220 6.032 131 H GLY 16 H GLY 16 0.692 -7.365 4.174 132 HA2 GLY 16 2HA GLY 16 1.389 -5.444 2.322 133 HA3 GLY 16 3HA GLY 16 -0.270 -5.873 2.714 Start of MODEL 8 1 H1 VAL 1 H VAL 1 1.487 1.616 -1.242 2 HA VAL 1 HA VAL 1 3.571 0.385 -2.007 3 HB VAL 1 HB VAL 1 2.412 -1.530 0.010 4 HG11 VAL 1 1HG1 VAL 1 4.140 -2.067 -2.368 5 HG12 VAL 1 2HG1 VAL 1 4.348 -3.019 -0.897 6 HG13 VAL 1 3HG1 VAL 1 2.791 -3.004 -1.726 7 HG21 VAL 1 1HG2 VAL 1 4.718 -1.543 0.864 8 HG22 VAL 1 2HG2 VAL 1 5.173 -0.373 -0.375 9 HG23 VAL 1 3HG2 VAL 1 4.016 0.075 0.878 10 H ALA 2 H ALA 2 0.874 -1.796 -1.264 11 HA ALA 2 HA ALA 2 0.140 -1.741 -4.118 12 HB1 ALA 2 1HB ALA 2 -0.290 -4.239 -2.577 13 HB2 ALA 2 2HB ALA 2 0.104 -4.010 -4.281 14 HB3 ALA 2 3HB ALA 2 1.362 -3.845 -3.056 15 H ARG 3 H ARG 3 -1.873 -1.079 -4.436 16 HA ARG 3 HA ARG 3 -3.691 -0.405 -2.478 17 HB2 ARG 3 2HB ARG 3 -5.281 -0.091 -4.195 18 HB3 ARG 3 3HB ARG 3 -3.721 0.215 -4.947 19 HG2 ARG 3 2HG ARG 3 -5.117 -2.441 -5.110 20 HG3 ARG 3 3HG ARG 3 -5.354 -1.150 -6.290 21 HD2 ARG 3 2HD ARG 3 -2.869 -1.143 -6.635 22 HD3 ARG 3 3HD ARG 3 -2.791 -2.589 -5.629 23 HE ARG 3 HE ARG 3 -4.626 -2.810 -7.830 24 HH11 ARG 3 1HH1 ARG 3 -1.316 -3.168 -6.813 25 HH12 ARG 3 2HH1 ARG 3 -0.920 -4.308 -8.057 26 HH21 ARG 3 1HH2 ARG 3 -4.117 -4.309 -9.472 27 HH22 ARG 3 2HH2 ARG 3 -2.514 -4.955 -9.569 28 H GLY 4 H GLY 4 -3.114 -3.510 -3.962 29 HA2 GLY 4 2HA GLY 4 -5.319 -4.638 -2.349 30 HA3 GLY 4 3HA GLY 4 -4.798 -5.309 -3.888 31 H TRP 5 H TRP 5 -4.388 -5.349 -0.514 32 HA TRP 5 HA TRP 5 -2.098 -7.181 -0.806 33 HB2 TRP 5 2HB TRP 5 -2.593 -4.980 1.141 34 HB3 TRP 5 3HB TRP 5 -1.773 -6.424 1.727 35 HD1 TRP 5 HD1 TRP 5 -0.694 -3.254 0.940 36 HE1 TRP 5 HE1 TRP 5 1.568 -3.164 -0.285 37 HE3 TRP 5 HE3 TRP 5 -0.469 -8.089 -0.705 38 HZ2 TRP 5 HZ2 TRP 5 3.228 -4.912 -1.755 39 HZ3 TRP 5 HZ3 TRP 5 1.489 -8.800 -2.014 40 HH2 TRP 5 HH2 TRP 5 3.298 -7.243 -2.528 41 H LYS 6 H LYS 6 -4.106 -6.404 2.005 42 HA LYS 6 HA LYS 6 -4.351 -8.710 3.255 43 HB2 LYS 6 2HB LYS 6 -6.953 -8.130 3.398 44 HB3 LYS 6 3HB LYS 6 -5.730 -7.180 4.232 45 HG2 LYS 6 2HG LYS 6 -5.748 -5.532 2.470 46 HG3 LYS 6 3HG LYS 6 -6.876 -6.510 1.529 47 HD2 LYS 6 2HD LYS 6 -7.551 -5.582 4.302 48 HD3 LYS 6 3HD LYS 6 -7.816 -4.546 2.898 49 HE2 LYS 6 2HE LYS 6 -9.082 -6.539 1.907 50 HE3 LYS 6 3HE LYS 6 -9.073 -7.196 3.543 51 HZ1 LYS 6 1HZ LYS 6 -9.937 -4.456 3.406 52 HZ2 LYS 6 2HZ LYS 6 -10.646 -5.775 4.193 53 HZ3 LYS 6 3HZ LYS 6 -10.939 -5.515 2.547 54 H ARG 7 H ARG 7 -6.409 -7.967 0.440 55 HA ARG 7 HA ARG 7 -7.341 -10.695 0.293 56 HB2 ARG 7 2HB ARG 7 -8.844 -8.847 -0.279 57 HB3 ARG 7 3HB ARG 7 -7.765 -8.358 -1.579 58 HG2 ARG 7 2HG ARG 7 -9.662 -9.569 -2.461 59 HG3 ARG 7 3HG ARG 7 -8.177 -10.489 -2.713 60 HD2 ARG 7 2HD ARG 7 -9.187 -11.271 -0.207 61 HD3 ARG 7 3HD ARG 7 -10.562 -11.238 -1.310 62 HE ARG 7 HE ARG 7 -8.371 -13.089 -1.333 63 HH11 ARG 7 1HH1 ARG 7 -10.817 -11.548 -3.273 64 HH12 ARG 7 2HH1 ARG 7 -10.853 -12.808 -4.461 65 HH21 ARG 7 1HH2 ARG 7 -8.409 -14.754 -2.891 66 HH22 ARG 7 2HH2 ARG 7 -9.484 -14.632 -4.242 67 H LYS 8 H LYS 8 -6.005 -8.675 -2.311 68 HA LYS 8 HA LYS 8 -4.921 -10.970 -3.644 69 HB2 LYS 8 2HB LYS 8 -4.639 -8.012 -4.196 70 HB3 LYS 8 3HB LYS 8 -4.015 -9.278 -5.245 71 HG2 LYS 8 2HG LYS 8 -6.870 -9.478 -4.548 72 HG3 LYS 8 3HG LYS 8 -6.410 -8.113 -5.569 73 HD2 LYS 8 2HD LYS 8 -6.272 -9.452 -7.338 74 HD3 LYS 8 3HD LYS 8 -5.086 -10.463 -6.508 75 HE2 LYS 8 2HE LYS 8 -6.747 -11.876 -5.633 76 HE3 LYS 8 3HE LYS 8 -8.033 -10.725 -5.992 77 HZ1 LYS 8 1HZ LYS 8 -7.151 -11.141 -8.430 78 HZ2 LYS 8 2HZ LYS 8 -8.313 -12.142 -7.719 79 HZ3 LYS 8 3HZ LYS 8 -6.692 -12.624 -7.757 80 H CYS 9 H CYS 9 -3.123 -11.943 -2.996 81 HA CYS 9 HA CYS 9 -0.939 -10.283 -1.919 82 HB2 CYS 9 2HB CYS 9 -0.196 -12.422 -0.783 83 HB3 CYS 9 3HB CYS 9 -1.689 -11.717 -0.176 84 HG CYS 9 HG CYS 9 -3.378 -13.546 -1.291 85 HA PRO 10 HA PRO 10 0.514 -12.123 -5.924 86 HB2 PRO 10 2HB PRO 10 1.694 -9.844 -6.810 87 HB3 PRO 10 3HB PRO 10 -0.015 -10.207 -7.076 88 HG2 PRO 10 2HG PRO 10 1.249 -8.455 -5.004 89 HG3 PRO 10 3HG PRO 10 -0.200 -8.163 -5.983 90 HD2 PRO 10 2HD PRO 10 -0.324 -8.997 -3.410 91 HD3 PRO 10 3HD PRO 10 -1.534 -9.461 -4.624 92 H LEU 11 H LEU 11 2.179 -9.880 -3.725 93 HA LEU 11 HA LEU 11 4.611 -11.515 -4.036 94 HB2 LEU 11 2HB LEU 11 5.259 -8.958 -2.992 95 HB3 LEU 11 3HB LEU 11 5.757 -9.685 -4.518 96 HG LEU 11 HG LEU 11 3.152 -8.212 -4.224 97 HD11 LEU 11 1HD1 LEU 11 4.802 -6.502 -5.561 98 HD12 LEU 11 2HD1 LEU 11 5.874 -7.146 -4.318 99 HD13 LEU 11 3HD1 LEU 11 4.361 -6.365 -3.859 100 HD21 LEU 11 1HD2 LEU 11 3.924 -9.822 -6.193 101 HD22 LEU 11 2HD2 LEU 11 4.735 -8.351 -6.728 102 HD23 LEU 11 3HD2 LEU 11 2.988 -8.356 -6.486 103 H PHE 12 H PHE 12 3.763 -8.947 -1.743 104 HA PHE 12 HA PHE 12 4.037 -10.912 0.435 105 HB2 PHE 12 2HB PHE 12 4.684 -8.474 1.570 106 HB3 PHE 12 3HB PHE 12 5.828 -9.721 1.084 107 HD1 PHE 12 HD1 PHE 12 4.265 -6.540 0.130 108 HD2 PHE 12 HD2 PHE 12 7.211 -9.454 -0.844 109 HE1 PHE 12 HE1 PHE 12 5.271 -4.978 -1.484 110 HE2 PHE 12 HE2 PHE 12 8.222 -7.897 -2.459 111 HZ PHE 12 HZ PHE 12 7.252 -5.656 -2.780 112 H GLY 13 H GLY 13 1.789 -11.218 0.552 113 HA2 GLY 13 2HA GLY 13 0.136 -8.878 1.150 114 HA3 GLY 13 3HA GLY 13 -0.449 -10.500 0.811 115 H LYS 14 H LYS 14 2.011 -10.974 2.881 116 HA LYS 14 HA LYS 14 0.353 -11.682 5.046 117 HB2 LYS 14 2HB LYS 14 2.479 -12.006 6.286 118 HB3 LYS 14 3HB LYS 14 2.474 -12.789 4.711 119 HG2 LYS 14 2HG LYS 14 3.698 -10.769 3.833 120 HG3 LYS 14 3HG LYS 14 3.889 -10.263 5.514 121 HD2 LYS 14 2HD LYS 14 5.870 -11.415 5.012 122 HD3 LYS 14 3HD LYS 14 4.895 -12.579 5.911 123 HE2 LYS 14 2HE LYS 14 4.110 -13.463 3.685 124 HE3 LYS 14 3HE LYS 14 5.340 -12.448 2.935 125 HZ1 LYS 14 1HZ LYS 14 5.629 -14.937 4.360 126 HZ2 LYS 14 2HZ LYS 14 6.743 -13.753 4.826 127 HZ3 LYS 14 3HZ LYS 14 6.641 -14.227 3.205 128 H GLY 15 H GLY 15 2.434 -8.869 4.479 129 HA2 GLY 15 2HA GLY 15 1.168 -7.591 6.825 130 HA3 GLY 15 3HA GLY 15 2.837 -7.300 6.358 131 H GLY 16 H GLY 16 2.087 -7.270 3.475 132 HA2 GLY 16 2HA GLY 16 1.665 -5.636 1.915 133 HA3 GLY 16 3HA GLY 16 0.181 -5.384 2.821 Start of MODEL 9 1 H1 VAL 1 H VAL 1 0.404 0.446 -0.222 2 HA VAL 1 HA VAL 1 1.725 0.570 -2.088 3 HB VAL 1 HB VAL 1 3.497 -0.598 -0.920 4 HG11 VAL 1 1HG1 VAL 1 2.095 -3.142 -1.734 5 HG12 VAL 1 2HG1 VAL 1 3.658 -3.035 -0.922 6 HG13 VAL 1 3HG1 VAL 1 2.196 -2.496 -0.097 7 HG21 VAL 1 1HG2 VAL 1 3.487 -2.187 -3.396 8 HG22 VAL 1 2HG2 VAL 1 3.224 -0.456 -3.609 9 HG23 VAL 1 3HG2 VAL 1 4.676 -1.033 -2.791 10 H ALA 2 H ALA 2 -0.014 -2.426 -1.487 11 HA ALA 2 HA ALA 2 -0.787 -2.469 -4.332 12 HB1 ALA 2 1HB ALA 2 -0.487 -4.712 -4.501 13 HB2 ALA 2 2HB ALA 2 0.725 -4.381 -3.262 14 HB3 ALA 2 3HB ALA 2 -0.859 -5.004 -2.801 15 H ARG 3 H ARG 3 -2.873 -2.076 -4.623 16 HA ARG 3 HA ARG 3 -4.747 -1.694 -2.630 17 HB2 ARG 3 2HB ARG 3 -6.378 -1.546 -4.331 18 HB3 ARG 3 3HB ARG 3 -4.879 -1.009 -5.078 19 HG2 ARG 3 2HG ARG 3 -5.911 -3.821 -5.320 20 HG3 ARG 3 3HG ARG 3 -6.320 -2.537 -6.460 21 HD2 ARG 3 2HD ARG 3 -3.583 -3.634 -5.840 22 HD3 ARG 3 3HD ARG 3 -4.479 -3.786 -7.351 23 HE ARG 3 HE ARG 3 -2.909 -1.547 -6.490 24 HH11 ARG 3 1HH1 ARG 3 -5.594 -2.545 -8.469 25 HH12 ARG 3 2HH1 ARG 3 -5.463 -1.200 -9.554 26 HH21 ARG 3 1HH2 ARG 3 -2.727 0.228 -7.911 27 HH22 ARG 3 2HH2 ARG 3 -3.831 0.376 -9.236 28 H GLY 4 H GLY 4 -3.770 -4.648 -4.209 29 HA2 GLY 4 2HA GLY 4 -5.838 -6.110 -2.689 30 HA3 GLY 4 3HA GLY 4 -5.124 -6.682 -4.190 31 H TRP 5 H TRP 5 -4.899 -6.633 -0.786 32 HA TRP 5 HA TRP 5 -2.370 -8.139 -0.932 33 HB2 TRP 5 2HB TRP 5 -3.265 -6.015 0.964 34 HB3 TRP 5 3HB TRP 5 -2.253 -7.315 1.587 35 HD1 TRP 5 HD1 TRP 5 -1.667 -4.010 0.775 36 HE1 TRP 5 HE1 TRP 5 0.601 -3.580 -0.363 37 HE3 TRP 5 HE3 TRP 5 -0.602 -8.776 -0.740 38 HZ2 TRP 5 HZ2 TRP 5 2.579 -5.064 -1.724 39 HZ3 TRP 5 HZ3 TRP 5 1.498 -9.185 -1.954 40 HH2 TRP 5 HH2 TRP 5 3.054 -7.366 -2.436 41 H LYS 6 H LYS 6 -4.562 -7.612 1.792 42 HA LYS 6 HA LYS 6 -4.555 -9.928 3.049 43 HB2 LYS 6 2HB LYS 6 -7.202 -9.682 3.134 44 HB3 LYS 6 3HB LYS 6 -6.137 -8.557 3.965 45 HG2 LYS 6 2HG LYS 6 -6.777 -7.852 1.185 46 HG3 LYS 6 3HG LYS 6 -8.136 -7.822 2.311 47 HD2 LYS 6 2HD LYS 6 -6.214 -6.559 3.761 48 HD3 LYS 6 3HD LYS 6 -5.794 -6.057 2.122 49 HE2 LYS 6 2HE LYS 6 -8.657 -5.935 2.824 50 HE3 LYS 6 3HE LYS 6 -7.608 -4.793 3.663 51 HZ1 LYS 6 1HZ LYS 6 -7.325 -3.597 1.819 52 HZ2 LYS 6 2HZ LYS 6 -8.667 -4.423 1.205 53 HZ3 LYS 6 3HZ LYS 6 -7.105 -4.956 0.836 54 H ARG 7 H ARG 7 -6.657 -9.459 0.204 55 HA ARG 7 HA ARG 7 -7.337 -12.227 0.042 56 HB2 ARG 7 2HB ARG 7 -7.828 -9.803 -1.627 57 HB3 ARG 7 3HB ARG 7 -8.059 -11.382 -2.365 58 HG2 ARG 7 2HG ARG 7 -9.968 -11.743 -1.267 59 HG3 ARG 7 3HG ARG 7 -9.320 -11.124 0.253 60 HD2 ARG 7 2HD ARG 7 -11.213 -9.789 -0.629 61 HD3 ARG 7 3HD ARG 7 -9.728 -8.857 -0.436 62 HE ARG 7 HE ARG 7 -9.817 -9.818 -3.057 63 HH11 ARG 7 1HH1 ARG 7 -11.535 -7.597 -0.999 64 HH12 ARG 7 2HH1 ARG 7 -12.026 -6.566 -2.302 65 HH21 ARG 7 1HH2 ARG 7 -10.458 -8.469 -4.781 66 HH22 ARG 7 2HH2 ARG 7 -11.414 -7.064 -4.452 67 H LYS 8 H LYS 8 -5.912 -10.356 -2.608 68 HA LYS 8 HA LYS 8 -4.457 -12.678 -3.509 69 HB2 LYS 8 2HB LYS 8 -3.663 -11.084 -5.309 70 HB3 LYS 8 3HB LYS 8 -5.401 -11.344 -5.228 71 HG2 LYS 8 2HG LYS 8 -5.830 -9.218 -4.556 72 HG3 LYS 8 3HG LYS 8 -4.291 -9.056 -3.706 73 HD2 LYS 8 2HD LYS 8 -4.458 -9.204 -6.705 74 HD3 LYS 8 3HD LYS 8 -4.600 -7.677 -5.830 75 HE2 LYS 8 2HE LYS 8 -2.365 -8.846 -4.718 76 HE3 LYS 8 3HE LYS 8 -2.246 -9.286 -6.421 77 HZ1 LYS 8 1HZ LYS 8 -1.438 -7.266 -6.763 78 HZ2 LYS 8 2HZ LYS 8 -1.789 -6.771 -5.184 79 HZ3 LYS 8 3HZ LYS 8 -2.962 -6.631 -6.395 80 H CYS 9 H CYS 9 -2.486 -13.212 -2.865 81 HA CYS 9 HA CYS 9 -0.727 -11.091 -1.819 82 HB2 CYS 9 2HB CYS 9 0.356 -12.966 -0.500 83 HB3 CYS 9 3HB CYS 9 -1.270 -12.519 0.001 84 HG CYS 9 HG CYS 9 -0.463 -15.423 -0.145 85 HA PRO 10 HA PRO 10 1.275 -12.828 -5.614 86 HB2 PRO 10 2HB PRO 10 2.122 -10.422 -6.541 87 HB3 PRO 10 3HB PRO 10 0.514 -11.070 -6.882 88 HG2 PRO 10 2HG PRO 10 1.349 -9.058 -4.829 89 HG3 PRO 10 3HG PRO 10 -0.066 -9.044 -5.898 90 HD2 PRO 10 2HD PRO 10 -0.210 -9.790 -3.299 91 HD3 PRO 10 3HD PRO 10 -1.252 -10.492 -4.553 92 H LEU 11 H LEU 11 2.470 -10.144 -3.592 93 HA LEU 11 HA LEU 11 5.133 -11.403 -3.647 94 HB2 LEU 11 2HB LEU 11 5.269 -8.730 -2.693 95 HB3 LEU 11 3HB LEU 11 5.987 -9.424 -4.145 96 HG LEU 11 HG LEU 11 3.157 -8.408 -4.080 97 HD11 LEU 11 1HD1 LEU 11 4.025 -6.370 -3.753 98 HD12 LEU 11 2HD1 LEU 11 4.568 -6.508 -5.426 99 HD13 LEU 11 3HD1 LEU 11 5.669 -6.904 -4.107 100 HD21 LEU 11 1HD2 LEU 11 4.868 -8.375 -6.493 101 HD22 LEU 11 2HD2 LEU 11 3.147 -8.721 -6.324 102 HD23 LEU 11 3HD2 LEU 11 4.339 -9.954 -5.911 103 H PHE 12 H PHE 12 3.744 -8.932 -1.515 104 HA PHE 12 HA PHE 12 4.232 -10.738 0.761 105 HB2 PHE 12 2HB PHE 12 4.381 -8.166 1.793 106 HB3 PHE 12 3HB PHE 12 5.742 -9.231 1.459 107 HD1 PHE 12 HD1 PHE 12 3.778 -6.387 0.241 108 HD2 PHE 12 HD2 PHE 12 7.173 -8.865 -0.429 109 HE1 PHE 12 HE1 PHE 12 4.629 -4.770 -1.407 110 HE2 PHE 12 HE2 PHE 12 8.030 -7.252 -2.077 111 HZ PHE 12 HZ PHE 12 6.759 -5.201 -2.567 112 H GLY 13 H GLY 13 2.083 -11.431 0.840 113 HA2 GLY 13 2HA GLY 13 -0.033 -9.453 1.102 114 HA3 GLY 13 3HA GLY 13 -0.234 -11.198 1.065 115 H LYS 14 H LYS 14 2.124 -10.991 3.179 116 HA LYS 14 HA LYS 14 0.356 -11.217 5.443 117 HB2 LYS 14 2HB LYS 14 2.434 -11.732 6.697 118 HB3 LYS 14 3HB LYS 14 2.217 -12.750 5.279 119 HG2 LYS 14 2HG LYS 14 3.697 -10.691 4.272 120 HG3 LYS 14 3HG LYS 14 4.327 -10.834 5.915 121 HD2 LYS 14 2HD LYS 14 4.622 -13.278 5.513 122 HD3 LYS 14 3HD LYS 14 4.155 -13.010 3.832 123 HE2 LYS 14 2HE LYS 14 6.060 -11.676 3.417 124 HE3 LYS 14 3HE LYS 14 6.424 -11.528 5.135 125 HZ1 LYS 14 1HZ LYS 14 7.909 -13.125 4.529 126 HZ2 LYS 14 2HZ LYS 14 6.921 -13.770 3.317 127 HZ3 LYS 14 3HZ LYS 14 6.602 -14.118 4.942 128 H GLY 15 H GLY 15 2.842 -8.963 4.326 129 HA2 GLY 15 2HA GLY 15 2.113 -7.167 6.554 130 HA3 GLY 15 3HA GLY 15 3.667 -7.153 5.733 131 H GLY 16 H GLY 16 0.648 -7.448 3.995 132 HA2 GLY 16 2HA GLY 16 1.160 -5.494 2.129 133 HA3 GLY 16 3HA GLY 16 -0.457 -6.006 2.585 Start of MODEL 10 1 H1 VAL 1 H VAL 1 0.894 0.346 0.315 2 HA VAL 1 HA VAL 1 2.625 0.759 -1.276 3 HB VAL 1 HB VAL 1 4.285 -0.634 -0.191 4 HG11 VAL 1 1HG1 VAL 1 4.301 -3.069 -0.484 5 HG12 VAL 1 2HG1 VAL 1 2.872 -2.527 0.399 6 HG13 VAL 1 3HG1 VAL 1 2.742 -2.976 -1.302 7 HG21 VAL 1 1HG2 VAL 1 5.499 -0.949 -2.064 8 HG22 VAL 1 2HG2 VAL 1 4.259 -1.942 -2.829 9 HG23 VAL 1 3HG2 VAL 1 4.118 -0.184 -2.850 10 H ALA 2 H ALA 2 0.664 -2.142 -1.030 11 HA ALA 2 HA ALA 2 0.006 -1.863 -3.890 12 HB1 ALA 2 1HB ALA 2 1.328 -3.974 -2.965 13 HB2 ALA 2 2HB ALA 2 -0.311 -4.512 -2.598 14 HB3 ALA 2 3HB ALA 2 0.132 -4.102 -4.255 15 H ARG 3 H ARG 3 -2.030 -1.280 -4.213 16 HA ARG 3 HA ARG 3 -3.951 -0.926 -2.264 17 HB2 ARG 3 2HB ARG 3 -5.494 -0.508 -3.998 18 HB3 ARG 3 3HB ARG 3 -3.930 -0.043 -4.655 19 HG2 ARG 3 2HG ARG 3 -5.189 -2.727 -5.152 20 HG3 ARG 3 3HG ARG 3 -5.428 -1.329 -6.203 21 HD2 ARG 3 2HD ARG 3 -2.742 -1.327 -6.018 22 HD3 ARG 3 3HD ARG 3 -3.059 -3.051 -5.834 23 HE ARG 3 HE ARG 3 -4.488 -1.964 -8.038 24 HH11 ARG 3 1HH1 ARG 3 -1.331 -3.024 -7.024 25 HH12 ARG 3 2HH1 ARG 3 -0.809 -3.429 -8.626 26 HH21 ARG 3 1HH2 ARG 3 -3.813 -2.494 -10.151 27 HH22 ARG 3 2HH2 ARG 3 -2.222 -3.127 -10.404 28 H GLY 4 H GLY 4 -3.138 -3.808 -4.057 29 HA2 GLY 4 2HA GLY 4 -5.359 -5.226 -2.722 30 HA3 GLY 4 3HA GLY 4 -4.648 -5.722 -4.251 31 H TRP 5 H TRP 5 -4.516 -5.979 -0.851 32 HA TRP 5 HA TRP 5 -2.102 -7.656 -1.072 33 HB2 TRP 5 2HB TRP 5 -2.901 -5.646 0.984 34 HB3 TRP 5 3HB TRP 5 -2.013 -7.071 1.517 35 HD1 TRP 5 HD1 TRP 5 -1.140 -3.772 1.040 36 HE1 TRP 5 HE1 TRP 5 1.190 -3.421 0.004 37 HE3 TRP 5 HE3 TRP 5 -0.408 -8.441 -0.909 38 HZ2 TRP 5 HZ2 TRP 5 3.086 -4.925 -1.449 39 HZ3 TRP 5 HZ3 TRP 5 1.690 -8.903 -2.108 40 HH2 TRP 5 HH2 TRP 5 3.400 -7.180 -2.372 41 H LYS 6 H LYS 6 -4.368 -7.204 1.610 42 HA LYS 6 HA LYS 6 -4.570 -9.599 2.680 43 HB2 LYS 6 2HB LYS 6 -7.234 -9.157 2.548 44 HB3 LYS 6 3HB LYS 6 -6.156 -8.310 3.650 45 HG2 LYS 6 2HG LYS 6 -6.227 -6.363 2.445 46 HG3 LYS 6 3HG LYS 6 -6.598 -7.186 0.929 47 HD2 LYS 6 2HD LYS 6 -8.526 -5.926 1.743 48 HD3 LYS 6 3HD LYS 6 -8.858 -7.660 1.736 49 HE2 LYS 6 2HE LYS 6 -8.882 -7.801 4.019 50 HE3 LYS 6 3HE LYS 6 -7.770 -6.449 4.224 51 HZ1 LYS 6 1HZ LYS 6 -9.548 -5.237 4.703 52 HZ2 LYS 6 2HZ LYS 6 -10.617 -6.454 4.217 53 HZ3 LYS 6 3HZ LYS 6 -10.009 -5.359 3.080 54 H ARG 7 H ARG 7 -6.561 -8.806 -0.176 55 HA ARG 7 HA ARG 7 -7.261 -11.556 -0.598 56 HB2 ARG 7 2HB ARG 7 -7.882 -8.955 -1.873 57 HB3 ARG 7 3HB ARG 7 -7.976 -10.370 -2.913 58 HG2 ARG 7 2HG ARG 7 -9.940 -10.930 -2.062 59 HG3 ARG 7 3HG ARG 7 -9.291 -10.902 -0.422 60 HD2 ARG 7 2HD ARG 7 -9.494 -8.291 -0.767 61 HD3 ARG 7 3HD ARG 7 -10.709 -8.777 -1.949 62 HE ARG 7 HE ARG 7 -10.936 -8.887 0.904 63 HH11 ARG 7 1HH1 ARG 7 -12.007 -10.319 -2.083 64 HH12 ARG 7 2HH1 ARG 7 -13.499 -10.900 -1.421 65 HH21 ARG 7 1HH2 ARG 7 -12.897 -9.646 1.787 66 HH22 ARG 7 2HH2 ARG 7 -14.005 -10.515 0.780 67 H LYS 8 H LYS 8 -5.825 -9.330 -2.967 68 HA LYS 8 HA LYS 8 -4.493 -11.488 -4.305 69 HB2 LYS 8 2HB LYS 8 -4.560 -8.506 -4.690 70 HB3 LYS 8 3HB LYS 8 -3.465 -9.519 -5.621 71 HG2 LYS 8 2HG LYS 8 -6.341 -10.259 -5.550 72 HG3 LYS 8 3HG LYS 8 -5.851 -8.868 -6.521 73 HD2 LYS 8 2HD LYS 8 -4.926 -10.167 -8.090 74 HD3 LYS 8 3HD LYS 8 -4.106 -11.169 -6.890 75 HE2 LYS 8 2HE LYS 8 -5.925 -12.607 -6.671 76 HE3 LYS 8 3HE LYS 8 -7.053 -11.437 -7.354 77 HZ1 LYS 8 1HZ LYS 8 -6.345 -13.394 -8.799 78 HZ2 LYS 8 2HZ LYS 8 -4.870 -12.585 -8.978 79 HZ3 LYS 8 3HZ LYS 8 -6.303 -11.854 -9.500 80 H CYS 9 H CYS 9 -2.608 -12.335 -3.743 81 HA CYS 9 HA CYS 9 -0.679 -10.638 -2.299 82 HB2 CYS 9 2HB CYS 9 0.152 -12.822 -1.306 83 HB3 CYS 9 3HB CYS 9 -1.426 -12.277 -0.752 84 HG CYS 9 HG CYS 9 -1.375 -15.093 -1.064 85 HA PRO 10 HA PRO 10 1.223 -11.971 -6.315 86 HB2 PRO 10 2HB PRO 10 2.284 -9.538 -6.885 87 HB3 PRO 10 3HB PRO 10 0.634 -9.993 -7.326 88 HG2 PRO 10 2HG PRO 10 1.593 -8.368 -5.002 89 HG3 PRO 10 3HG PRO 10 0.205 -8.084 -6.069 90 HD2 PRO 10 2HD PRO 10 -0.051 -9.174 -3.604 91 HD3 PRO 10 3HD PRO 10 -1.123 -9.602 -4.953 92 H LEU 11 H LEU 11 2.586 -9.726 -3.904 93 HA LEU 11 HA LEU 11 5.138 -11.185 -4.117 94 HB2 LEU 11 2HB LEU 11 5.485 -8.686 -2.810 95 HB3 LEU 11 3HB LEU 11 6.169 -9.240 -4.336 96 HG LEU 11 HG LEU 11 3.437 -7.995 -4.157 97 HD11 LEU 11 1HD1 LEU 11 4.483 -6.110 -3.542 98 HD12 LEU 11 2HD1 LEU 11 5.021 -6.060 -5.221 99 HD13 LEU 11 3HD1 LEU 11 6.076 -6.731 -3.977 100 HD21 LEU 11 1HD2 LEU 11 4.494 -9.385 -6.169 101 HD22 LEU 11 2HD2 LEU 11 5.206 -7.812 -6.528 102 HD23 LEU 11 3HD2 LEU 11 3.453 -7.984 -6.428 103 H PHE 12 H PHE 12 3.908 -8.912 -1.686 104 HA PHE 12 HA PHE 12 4.207 -11.038 0.332 105 HB2 PHE 12 2HB PHE 12 4.519 -8.629 1.689 106 HB3 PHE 12 3HB PHE 12 5.798 -9.761 1.262 107 HD1 PHE 12 HD1 PHE 12 4.124 -6.632 0.348 108 HD2 PHE 12 HD2 PHE 12 7.321 -9.301 -0.530 109 HE1 PHE 12 HE1 PHE 12 5.166 -4.912 -1.070 110 HE2 PHE 12 HE2 PHE 12 8.368 -7.586 -1.949 111 HZ PHE 12 HZ PHE 12 7.291 -5.387 -2.220 112 H GLY 13 H GLY 13 1.993 -11.551 0.228 113 HA2 GLY 13 2HA GLY 13 0.029 -9.478 0.739 114 HA3 GLY 13 3HA GLY 13 -0.296 -11.186 0.485 115 H LYS 14 H LYS 14 2.070 -11.276 2.663 116 HA LYS 14 HA LYS 14 0.223 -11.684 4.855 117 HB2 LYS 14 2HB LYS 14 2.191 -12.544 6.057 118 HB3 LYS 14 3HB LYS 14 1.993 -13.317 4.490 119 HG2 LYS 14 2HG LYS 14 4.193 -12.908 4.316 120 HG3 LYS 14 3HG LYS 14 3.645 -11.308 3.809 121 HD2 LYS 14 2HD LYS 14 3.699 -10.811 6.381 122 HD3 LYS 14 3HD LYS 14 4.807 -12.184 6.417 123 HE2 LYS 14 2HE LYS 14 6.348 -11.106 4.999 124 HE3 LYS 14 3HE LYS 14 5.174 -9.881 4.523 125 HZ1 LYS 14 1HZ LYS 14 5.207 -9.255 6.992 126 HZ2 LYS 14 2HZ LYS 14 6.521 -8.789 6.035 127 HZ3 LYS 14 3HZ LYS 14 6.656 -10.127 7.061 128 H GLY 15 H GLY 15 2.889 -9.515 4.030 129 HA2 GLY 15 2HA GLY 15 2.249 -7.932 6.440 130 HA3 GLY 15 3HA GLY 15 3.825 -7.959 5.663 131 H GLY 16 H GLY 16 0.777 -7.757 3.927 132 HA2 GLY 16 2HA GLY 16 1.504 -5.703 2.243 133 HA3 GLY 16 3HA GLY 16 -0.159 -6.069 2.677 Start of MODEL 11 1 H1 VAL 1 H VAL 1 0.638 0.244 -0.248 2 HA VAL 1 HA VAL 1 2.480 1.110 -1.824 3 HB VAL 1 HB VAL 1 4.268 -0.140 -0.770 4 HG11 VAL 1 1HG1 VAL 1 4.400 -2.585 -0.957 5 HG12 VAL 1 2HG1 VAL 1 3.003 -2.071 -0.010 6 HG13 VAL 1 3HG1 VAL 1 2.791 -2.609 -1.677 7 HG21 VAL 1 1HG2 VAL 1 5.398 -0.491 -2.690 8 HG22 VAL 1 2HG2 VAL 1 4.168 -1.575 -3.341 9 HG23 VAL 1 3HG2 VAL 1 3.941 0.171 -3.432 10 H ALA 2 H ALA 2 0.689 -1.869 -1.338 11 HA ALA 2 HA ALA 2 -0.124 -1.767 -4.170 12 HB1 ALA 2 1HB ALA 2 0.098 -4.013 -4.434 13 HB2 ALA 2 2HB ALA 2 1.347 -3.764 -3.213 14 HB3 ALA 2 3HB ALA 2 -0.243 -4.360 -2.739 15 H ARG 3 H ARG 3 -2.202 -1.307 -4.417 16 HA ARG 3 HA ARG 3 -4.040 -0.941 -2.393 17 HB2 ARG 3 2HB ARG 3 -5.689 -0.704 -4.064 18 HB3 ARG 3 3HB ARG 3 -4.187 -0.191 -4.822 19 HG2 ARG 3 2HG ARG 3 -5.314 -2.962 -5.117 20 HG3 ARG 3 3HG ARG 3 -5.680 -1.638 -6.225 21 HD2 ARG 3 2HD ARG 3 -2.998 -1.477 -6.184 22 HD3 ARG 3 3HD ARG 3 -3.199 -3.202 -5.881 23 HE ARG 3 HE ARG 3 -3.646 -1.829 -8.343 24 HH11 ARG 3 1HH1 ARG 3 -4.668 -4.539 -6.411 25 HH12 ARG 3 2HH1 ARG 3 -5.219 -5.465 -7.767 26 HH21 ARG 3 1HH2 ARG 3 -4.368 -3.039 -10.137 27 HH22 ARG 3 2HH2 ARG 3 -5.047 -4.611 -9.886 28 H GLY 4 H GLY 4 -3.174 -3.875 -4.077 29 HA2 GLY 4 2HA GLY 4 -5.240 -5.325 -2.541 30 HA3 GLY 4 3HA GLY 4 -4.595 -5.867 -4.084 31 H TRP 5 H TRP 5 -4.256 -5.944 -0.691 32 HA TRP 5 HA TRP 5 -1.772 -7.506 -0.974 33 HB2 TRP 5 2HB TRP 5 -2.563 -5.440 1.028 34 HB3 TRP 5 3HB TRP 5 -1.574 -6.791 1.576 35 HD1 TRP 5 HD1 TRP 5 -0.898 -3.482 0.905 36 HE1 TRP 5 HE1 TRP 5 1.349 -3.067 -0.279 37 HE3 TRP 5 HE3 TRP 5 -0.038 -8.195 -0.879 38 HZ2 TRP 5 HZ2 TRP 5 3.236 -4.542 -1.773 39 HZ3 TRP 5 HZ3 TRP 5 2.011 -8.609 -2.177 40 HH2 TRP 5 HH2 TRP 5 3.612 -6.819 -2.614 41 H LYS 6 H LYS 6 -3.913 -7.039 1.806 42 HA LYS 6 HA LYS 6 -3.919 -9.401 2.982 43 HB2 LYS 6 2HB LYS 6 -6.504 -9.140 3.235 44 HB3 LYS 6 3HB LYS 6 -5.434 -7.925 3.922 45 HG2 LYS 6 2HG LYS 6 -5.782 -6.555 1.875 46 HG3 LYS 6 3HG LYS 6 -6.981 -7.738 1.347 47 HD2 LYS 6 2HD LYS 6 -7.225 -6.534 4.067 48 HD3 LYS 6 3HD LYS 6 -7.706 -5.582 2.660 49 HE2 LYS 6 2HE LYS 6 -9.180 -7.456 1.967 50 HE3 LYS 6 3HE LYS 6 -8.764 -8.290 3.463 51 HZ1 LYS 6 1HZ LYS 6 -10.861 -7.105 3.655 52 HZ2 LYS 6 2HZ LYS 6 -10.098 -5.643 3.280 53 HZ3 LYS 6 3HZ LYS 6 -9.710 -6.455 4.712 54 H ARG 7 H ARG 7 -5.932 -8.780 0.111 55 HA ARG 7 HA ARG 7 -6.597 -11.586 -0.125 56 HB2 ARG 7 2HB ARG 7 -7.277 -9.157 -1.779 57 HB3 ARG 7 3HB ARG 7 -7.759 -10.784 -2.239 58 HG2 ARG 7 2HG ARG 7 -8.840 -10.917 0.077 59 HG3 ARG 7 3HG ARG 7 -8.645 -9.163 0.118 60 HD2 ARG 7 2HD ARG 7 -10.393 -8.862 -1.227 61 HD3 ARG 7 3HD ARG 7 -9.773 -10.031 -2.393 62 HE ARG 7 HE ARG 7 -10.788 -11.571 -0.395 63 HH11 ARG 7 1HH1 ARG 7 -12.057 -9.005 -2.376 64 HH12 ARG 7 2HH1 ARG 7 -13.682 -9.604 -2.339 65 HH21 ARG 7 1HH2 ARG 7 -12.924 -12.370 -0.338 66 HH22 ARG 7 2HH2 ARG 7 -14.174 -11.517 -1.178 67 H LYS 8 H LYS 8 -5.413 -9.345 -2.620 68 HA LYS 8 HA LYS 8 -4.089 -11.461 -4.022 69 HB2 LYS 8 2HB LYS 8 -3.942 -8.469 -4.435 70 HB3 LYS 8 3HB LYS 8 -3.354 -9.688 -5.559 71 HG2 LYS 8 2HG LYS 8 -5.977 -10.421 -5.146 72 HG3 LYS 8 3HG LYS 8 -6.037 -8.657 -5.163 73 HD2 LYS 8 2HD LYS 8 -6.335 -9.366 -7.407 74 HD3 LYS 8 3HD LYS 8 -4.685 -8.748 -7.292 75 HE2 LYS 8 2HE LYS 8 -3.962 -11.143 -6.905 76 HE3 LYS 8 3HE LYS 8 -5.594 -11.616 -7.373 77 HZ1 LYS 8 1HZ LYS 8 -5.254 -10.526 -9.507 78 HZ2 LYS 8 2HZ LYS 8 -4.085 -11.721 -9.248 79 HZ3 LYS 8 3HZ LYS 8 -3.682 -10.089 -9.057 80 H CYS 9 H CYS 9 -2.205 -12.295 -3.435 81 HA CYS 9 HA CYS 9 -0.234 -10.538 -2.128 82 HB2 CYS 9 2HB CYS 9 -0.345 -13.548 -1.912 83 HB3 CYS 9 3HB CYS 9 0.609 -12.435 -0.939 84 HG CYS 9 HG CYS 9 -1.857 -13.748 0.208 85 HA PRO 10 HA PRO 10 1.494 -11.769 -6.262 86 HB2 PRO 10 2HB PRO 10 2.395 -9.285 -6.887 87 HB3 PRO 10 3HB PRO 10 0.749 -9.827 -7.238 88 HG2 PRO 10 2HG PRO 10 1.748 -8.148 -4.969 89 HG3 PRO 10 3HG PRO 10 0.291 -7.940 -5.958 90 HD2 PRO 10 2HD PRO 10 0.227 -9.035 -3.483 91 HD3 PRO 10 3HD PRO 10 -0.894 -9.521 -4.771 92 H LEU 11 H LEU 11 2.867 -9.455 -3.923 93 HA LEU 11 HA LEU 11 5.464 -10.812 -4.243 94 HB2 LEU 11 2HB LEU 11 5.790 -8.243 -3.069 95 HB3 LEU 11 3HB LEU 11 6.418 -8.848 -4.601 96 HG LEU 11 HG LEU 11 3.649 -7.704 -4.360 97 HD11 LEU 11 1HD1 LEU 11 4.616 -5.750 -3.852 98 HD12 LEU 11 2HD1 LEU 11 5.118 -5.742 -5.542 99 HD13 LEU 11 3HD1 LEU 11 6.226 -6.315 -4.297 100 HD21 LEU 11 1HD2 LEU 11 3.620 -7.710 -6.646 101 HD22 LEU 11 2HD2 LEU 11 4.635 -9.122 -6.352 102 HD23 LEU 11 3HD2 LEU 11 5.373 -7.578 -6.781 103 H PHE 12 H PHE 12 4.290 -8.470 -1.852 104 HA PHE 12 HA PHE 12 4.769 -10.489 0.240 105 HB2 PHE 12 2HB PHE 12 5.091 -8.059 1.507 106 HB3 PHE 12 3HB PHE 12 6.392 -9.113 0.965 107 HD1 PHE 12 HD1 PHE 12 4.405 -6.131 0.144 108 HD2 PHE 12 HD2 PHE 12 7.759 -8.537 -0.895 109 HE1 PHE 12 HE1 PHE 12 5.205 -4.359 -1.364 110 HE2 PHE 12 HE2 PHE 12 8.564 -6.769 -2.405 111 HZ PHE 12 HZ PHE 12 7.287 -4.676 -2.640 112 H GLY 13 H GLY 13 2.610 -11.099 0.392 113 HA2 GLY 13 2HA GLY 13 0.550 -9.107 0.791 114 HA3 GLY 13 3HA GLY 13 0.336 -10.851 0.810 115 H LYS 14 H LYS 14 2.584 -11.087 2.788 116 HA LYS 14 HA LYS 14 1.140 -11.324 5.116 117 HB2 LYS 14 2HB LYS 14 4.020 -11.129 4.455 118 HB3 LYS 14 3HB LYS 14 3.592 -10.824 6.133 119 HG2 LYS 14 2HG LYS 14 2.951 -13.305 4.551 120 HG3 LYS 14 3HG LYS 14 4.172 -13.148 5.816 121 HD2 LYS 14 2HD LYS 14 2.652 -13.576 7.381 122 HD3 LYS 14 3HD LYS 14 1.652 -12.235 6.816 123 HE2 LYS 14 2HE LYS 14 0.194 -13.957 6.485 124 HE3 LYS 14 3HE LYS 14 1.022 -13.976 4.928 125 HZ1 LYS 14 1HZ LYS 14 0.763 -16.085 6.633 126 HZ2 LYS 14 2HZ LYS 14 2.354 -15.572 6.892 127 HZ3 LYS 14 3HZ LYS 14 1.843 -15.987 5.334 128 H GLY 15 H GLY 15 3.731 -8.922 5.095 129 HA2 GLY 15 2HA GLY 15 2.088 -7.184 6.756 130 HA3 GLY 15 3HA GLY 15 3.802 -6.991 6.421 131 H GLY 16 H GLY 16 1.084 -7.329 4.160 132 HA2 GLY 16 2HA GLY 16 1.952 -5.482 2.308 133 HA3 GLY 16 3HA GLY 16 0.263 -5.894 2.563 Start of MODEL 12 1 H1 VAL 1 H VAL 1 0.272 -0.150 0.021 2 HA VAL 1 HA VAL 1 2.085 0.859 -1.420 3 HB VAL 1 HB VAL 1 3.894 -0.653 -2.070 4 HG11 VAL 1 1HG1 VAL 1 4.212 -0.824 0.833 5 HG12 VAL 1 2HG1 VAL 1 5.182 0.031 -0.369 6 HG13 VAL 1 3HG1 VAL 1 3.704 0.764 0.257 7 HG21 VAL 1 1HG2 VAL 1 2.909 -2.519 0.081 8 HG22 VAL 1 2HG2 VAL 1 2.598 -2.753 -1.639 9 HG23 VAL 1 3HG2 VAL 1 4.254 -2.774 -1.032 10 H ALA 2 H ALA 2 0.326 -2.122 -1.186 11 HA ALA 2 HA ALA 2 -0.193 -2.003 -4.085 12 HB1 ALA 2 1HB ALA 2 1.191 -3.998 -3.079 13 HB2 ALA 2 2HB ALA 2 -0.409 -4.597 -2.640 14 HB3 ALA 2 3HB ALA 2 -0.021 -4.273 -4.330 15 H ARG 3 H ARG 3 -2.240 -1.571 -4.550 16 HA ARG 3 HA ARG 3 -4.270 -1.133 -2.767 17 HB2 ARG 3 2HB ARG 3 -5.752 -1.046 -4.597 18 HB3 ARG 3 3HB ARG 3 -4.188 -0.592 -5.260 19 HG2 ARG 3 2HG ARG 3 -5.284 -3.387 -5.408 20 HG3 ARG 3 3HG ARG 3 -5.558 -2.168 -6.655 21 HD2 ARG 3 2HD ARG 3 -2.864 -2.008 -6.330 22 HD3 ARG 3 3HD ARG 3 -3.148 -3.720 -6.021 23 HE ARG 3 HE ARG 3 -4.540 -3.166 -8.316 24 HH11 ARG 3 1HH1 ARG 3 -1.228 -2.892 -7.277 25 HH12 ARG 3 2HH1 ARG 3 -0.574 -3.134 -8.863 26 HH21 ARG 3 1HH2 ARG 3 -3.690 -3.486 -10.409 27 HH22 ARG 3 2HH2 ARG 3 -1.975 -3.471 -10.644 28 H GLY 4 H GLY 4 -3.240 -4.176 -4.150 29 HA2 GLY 4 2HA GLY 4 -5.363 -5.531 -2.603 30 HA3 GLY 4 3HA GLY 4 -4.722 -6.152 -4.117 31 H TRP 5 H TRP 5 -4.462 -6.192 -0.748 32 HA TRP 5 HA TRP 5 -1.936 -7.700 -0.938 33 HB2 TRP 5 2HB TRP 5 -2.815 -5.618 1.004 34 HB3 TRP 5 3HB TRP 5 -1.846 -6.955 1.618 35 HD1 TRP 5 HD1 TRP 5 -1.141 -3.661 0.936 36 HE1 TRP 5 HE1 TRP 5 1.149 -3.258 -0.167 37 HE3 TRP 5 HE3 TRP 5 -0.219 -8.390 -0.772 38 HZ2 TRP 5 HZ2 TRP 5 3.089 -4.747 -1.576 39 HZ3 TRP 5 HZ3 TRP 5 1.877 -8.817 -1.988 40 HH2 TRP 5 HH2 TRP 5 3.495 -7.032 -2.381 41 H LYS 6 H LYS 6 -4.224 -7.235 1.732 42 HA LYS 6 HA LYS 6 -4.238 -9.533 2.996 43 HB2 LYS 6 2HB LYS 6 -6.936 -9.353 2.760 44 HB3 LYS 6 3HB LYS 6 -5.969 -8.351 3.834 45 HG2 LYS 6 2HG LYS 6 -6.010 -6.532 2.339 46 HG3 LYS 6 3HG LYS 6 -6.617 -7.533 1.018 47 HD2 LYS 6 2HD LYS 6 -8.147 -6.998 3.560 48 HD3 LYS 6 3HD LYS 6 -8.329 -6.045 2.085 49 HE2 LYS 6 2HE LYS 6 -8.654 -8.492 1.058 50 HE3 LYS 6 3HE LYS 6 -9.220 -8.803 2.698 51 HZ1 LYS 6 1HZ LYS 6 -10.622 -6.697 2.318 52 HZ2 LYS 6 2HZ LYS 6 -11.126 -8.147 1.606 53 HZ3 LYS 6 3HZ LYS 6 -10.336 -6.977 0.674 54 H ARG 7 H ARG 7 -6.701 -9.344 0.443 55 HA ARG 7 HA ARG 7 -6.750 -12.175 0.122 56 HB2 ARG 7 2HB ARG 7 -8.281 -11.678 -1.784 57 HB3 ARG 7 3HB ARG 7 -8.765 -10.924 -0.271 58 HG2 ARG 7 2HG ARG 7 -7.310 -8.930 -1.307 59 HG3 ARG 7 3HG ARG 7 -7.855 -9.703 -2.796 60 HD2 ARG 7 2HD ARG 7 -9.809 -9.131 -0.609 61 HD3 ARG 7 3HD ARG 7 -9.297 -7.834 -1.688 62 HE ARG 7 HE ARG 7 -10.049 -9.988 -3.277 63 HH11 ARG 7 1HH1 ARG 7 -11.510 -7.788 -1.008 64 HH12 ARG 7 2HH1 ARG 7 -13.074 -7.855 -1.751 65 HH21 ARG 7 1HH2 ARG 7 -12.103 -10.084 -4.264 66 HH22 ARG 7 2HH2 ARG 7 -13.410 -9.161 -3.603 67 H LYS 8 H LYS 8 -5.572 -9.509 -1.916 68 HA LYS 8 HA LYS 8 -4.369 -11.388 -3.776 69 HB2 LYS 8 2HB LYS 8 -5.102 -8.563 -3.796 70 HB3 LYS 8 3HB LYS 8 -3.515 -8.852 -4.495 71 HG2 LYS 8 2HG LYS 8 -4.707 -9.174 -6.372 72 HG3 LYS 8 3HG LYS 8 -4.911 -10.798 -5.712 73 HD2 LYS 8 2HD LYS 8 -6.900 -9.113 -4.572 74 HD3 LYS 8 3HD LYS 8 -6.905 -8.872 -6.321 75 HE2 LYS 8 2HE LYS 8 -7.019 -11.338 -6.601 76 HE3 LYS 8 3HE LYS 8 -7.160 -11.493 -4.851 77 HZ1 LYS 8 1HZ LYS 8 -9.104 -10.434 -6.783 78 HZ2 LYS 8 2HZ LYS 8 -9.134 -9.864 -5.191 79 HZ3 LYS 8 3HZ LYS 8 -9.343 -11.513 -5.502 80 H CYS 9 H CYS 9 -2.595 -12.350 -2.958 81 HA CYS 9 HA CYS 9 -0.524 -10.622 -1.775 82 HB2 CYS 9 2HB CYS 9 0.344 -12.770 -0.762 83 HB3 CYS 9 3HB CYS 9 -1.210 -12.221 -0.147 84 HG CYS 9 HG CYS 9 -0.567 -15.160 -0.994 85 HA PRO 10 HA PRO 10 1.078 -12.119 -5.874 86 HB2 PRO 10 2HB PRO 10 2.055 -9.705 -6.642 87 HB3 PRO 10 3HB PRO 10 0.385 -10.204 -6.937 88 HG2 PRO 10 2HG PRO 10 1.484 -8.449 -4.774 89 HG3 PRO 10 3HG PRO 10 0.018 -8.238 -5.749 90 HD2 PRO 10 2HD PRO 10 -0.041 -9.203 -3.220 91 HD3 PRO 10 3HD PRO 10 -1.201 -9.713 -4.463 92 H LEU 11 H LEU 11 2.596 -9.695 -3.739 93 HA LEU 11 HA LEU 11 5.136 -11.158 -4.032 94 HB2 LEU 11 2HB LEU 11 5.584 -8.585 -2.939 95 HB3 LEU 11 3HB LEU 11 6.109 -9.226 -4.495 96 HG LEU 11 HG LEU 11 3.397 -7.984 -4.115 97 HD11 LEU 11 1HD1 LEU 11 6.005 -6.688 -4.167 98 HD12 LEU 11 2HD1 LEU 11 4.422 -6.039 -3.741 99 HD13 LEU 11 3HD1 LEU 11 4.915 -6.117 -5.432 100 HD21 LEU 11 1HD2 LEU 11 4.287 -9.461 -6.148 101 HD22 LEU 11 2HD2 LEU 11 4.933 -7.897 -6.646 102 HD23 LEU 11 3HD2 LEU 11 3.201 -8.090 -6.373 103 H PHE 12 H PHE 12 4.090 -8.718 -1.683 104 HA PHE 12 HA PHE 12 4.544 -10.697 0.453 105 HB2 PHE 12 2HB PHE 12 4.995 -8.269 1.662 106 HB3 PHE 12 3HB PHE 12 6.246 -9.362 1.078 107 HD1 PHE 12 HD1 PHE 12 4.292 -6.346 0.290 108 HD2 PHE 12 HD2 PHE 12 7.568 -8.826 -0.820 109 HE1 PHE 12 HE1 PHE 12 5.078 -4.607 -1.264 110 HE2 PHE 12 HE2 PHE 12 8.360 -7.091 -2.374 111 HZ PHE 12 HZ PHE 12 7.115 -4.978 -2.598 112 H GLY 13 H GLY 13 2.331 -11.200 0.570 113 HA2 GLY 13 2HA GLY 13 0.469 -9.035 1.192 114 HA3 GLY 13 3HA GLY 13 0.046 -10.712 0.879 115 H LYS 14 H LYS 14 2.524 -11.029 2.900 116 HA LYS 14 HA LYS 14 1.040 -11.895 5.082 117 HB2 LYS 14 2HB LYS 14 3.202 -11.763 6.344 118 HB3 LYS 14 3HB LYS 14 3.301 -12.635 4.820 119 HG2 LYS 14 2HG LYS 14 4.192 -10.546 3.777 120 HG3 LYS 14 3HG LYS 14 4.262 -9.842 5.394 121 HD2 LYS 14 2HD LYS 14 6.426 -10.674 4.985 122 HD3 LYS 14 3HD LYS 14 5.665 -11.863 6.044 123 HE2 LYS 14 2HE LYS 14 5.302 -12.329 3.162 124 HE3 LYS 14 3HE LYS 14 6.962 -12.464 3.741 125 HZ1 LYS 14 1HZ LYS 14 5.277 -13.797 5.540 126 HZ2 LYS 14 2HZ LYS 14 6.485 -14.451 4.553 127 HZ3 LYS 14 3HZ LYS 14 4.898 -14.330 3.979 128 H GLY 15 H GLY 15 2.687 -8.783 4.591 129 HA2 GLY 15 2HA GLY 15 1.108 -7.721 6.854 130 HA3 GLY 15 3HA GLY 15 2.743 -7.187 6.490 131 H GLY 16 H GLY 16 1.995 -7.358 3.537 132 HA2 GLY 16 2HA GLY 16 1.421 -5.809 1.937 133 HA3 GLY 16 3HA GLY 16 -0.070 -5.662 2.856 Start of MODEL 13 1 H1 VAL 1 H VAL 1 2.128 -0.958 1.165 2 HA VAL 1 HA VAL 1 2.049 0.352 -0.841 3 HB VAL 1 HB VAL 1 3.407 -1.393 -2.440 4 HG11 VAL 1 1HG1 VAL 1 5.302 -0.494 -0.592 5 HG12 VAL 1 2HG1 VAL 1 4.805 0.300 -2.088 6 HG13 VAL 1 3HG1 VAL 1 4.011 0.707 -0.566 7 HG21 VAL 1 1HG2 VAL 1 2.979 -3.124 -0.602 8 HG22 VAL 1 2HG2 VAL 1 4.631 -2.952 -1.193 9 HG23 VAL 1 3HG2 VAL 1 4.164 -2.224 0.344 10 H ALA 2 H ALA 2 1.842 -2.931 -2.162 11 HA ALA 2 HA ALA 2 0.395 -2.272 -4.426 12 HB1 ALA 2 1HB ALA 2 0.177 -4.539 -4.822 13 HB2 ALA 2 2HB ALA 2 1.578 -4.480 -3.752 14 HB3 ALA 2 3HB ALA 2 -0.002 -4.927 -3.111 15 H ARG 3 H ARG 3 -1.610 -1.578 -4.733 16 HA ARG 3 HA ARG 3 -3.460 -0.988 -2.821 17 HB2 ARG 3 2HB ARG 3 -5.048 -0.694 -4.542 18 HB3 ARG 3 3HB ARG 3 -3.489 -0.378 -5.292 19 HG2 ARG 3 2HG ARG 3 -4.880 -3.038 -5.451 20 HG3 ARG 3 3HG ARG 3 -5.093 -1.755 -6.643 21 HD2 ARG 3 2HD ARG 3 -2.383 -1.891 -6.478 22 HD3 ARG 3 3HD ARG 3 -2.831 -3.573 -6.201 23 HE ARG 3 HE ARG 3 -3.446 -3.731 -8.397 24 HH11 ARG 3 1HH1 ARG 3 -3.190 -0.370 -7.529 25 HH12 ARG 3 2HH1 ARG 3 -3.399 0.200 -9.152 26 HH21 ARG 3 1HH2 ARG 3 -3.722 -2.994 -10.538 27 HH22 ARG 3 2HH2 ARG 3 -3.703 -1.294 -10.863 28 H GLY 4 H GLY 4 -2.899 -4.088 -4.348 29 HA2 GLY 4 2HA GLY 4 -5.151 -5.228 -2.822 30 HA3 GLY 4 3HA GLY 4 -4.438 -5.953 -4.255 31 H TRP 5 H TRP 5 -4.355 -5.734 -0.845 32 HA TRP 5 HA TRP 5 -2.028 -7.542 -0.791 33 HB2 TRP 5 2HB TRP 5 -2.775 -5.275 1.025 34 HB3 TRP 5 3HB TRP 5 -1.827 -6.623 1.647 35 HD1 TRP 5 HD1 TRP 5 -1.102 -3.354 0.727 36 HE1 TRP 5 HE1 TRP 5 1.180 -3.070 -0.429 37 HE3 TRP 5 HE3 TRP 5 -0.256 -8.217 -0.606 38 HZ2 TRP 5 HZ2 TRP 5 3.086 -4.692 -1.735 39 HZ3 TRP 5 HZ3 TRP 5 1.820 -8.766 -1.806 40 HH2 TRP 5 HH2 TRP 5 3.455 -7.039 -2.359 41 H LYS 6 H LYS 6 -4.293 -6.593 1.759 42 HA LYS 6 HA LYS 6 -4.616 -8.807 3.154 43 HB2 LYS 6 2HB LYS 6 -7.110 -8.292 3.314 44 HB3 LYS 6 3HB LYS 6 -6.003 -6.992 3.733 45 HG2 LYS 6 2HG LYS 6 -6.299 -6.123 1.396 46 HG3 LYS 6 3HG LYS 6 -7.590 -7.311 1.200 47 HD2 LYS 6 2HD LYS 6 -7.525 -5.242 3.392 48 HD3 LYS 6 3HD LYS 6 -8.363 -5.020 1.855 49 HE2 LYS 6 2HE LYS 6 -9.248 -7.486 2.730 50 HE3 LYS 6 3HE LYS 6 -9.149 -6.535 4.211 51 HZ1 LYS 6 1HZ LYS 6 -10.335 -5.053 2.087 52 HZ2 LYS 6 2HZ LYS 6 -10.938 -5.381 3.632 53 HZ3 LYS 6 3HZ LYS 6 -11.182 -6.488 2.377 54 H ARG 7 H ARG 7 -6.359 -8.306 0.089 55 HA ARG 7 HA ARG 7 -7.220 -11.080 0.073 56 HB2 ARG 7 2HB ARG 7 -7.750 -8.715 -1.711 57 HB3 ARG 7 3HB ARG 7 -8.226 -10.342 -2.179 58 HG2 ARG 7 2HG ARG 7 -9.062 -9.201 0.457 59 HG3 ARG 7 3HG ARG 7 -9.949 -8.827 -1.022 60 HD2 ARG 7 2HD ARG 7 -9.377 -11.668 -0.708 61 HD3 ARG 7 3HD ARG 7 -10.359 -11.009 0.600 62 HE ARG 7 HE ARG 7 -11.532 -10.071 -1.681 63 HH11 ARG 7 1HH1 ARG 7 -10.705 -13.219 -0.446 64 HH12 ARG 7 2HH1 ARG 7 -12.010 -14.023 -1.254 65 HH21 ARG 7 1HH2 ARG 7 -13.255 -11.117 -2.749 66 HH22 ARG 7 2HH2 ARG 7 -13.459 -12.826 -2.564 67 H LYS 8 H LYS 8 -5.675 -9.022 -2.398 68 HA LYS 8 HA LYS 8 -4.517 -11.317 -3.690 69 HB2 LYS 8 2HB LYS 8 -3.925 -8.405 -4.231 70 HB3 LYS 8 3HB LYS 8 -3.671 -9.765 -5.317 71 HG2 LYS 8 2HG LYS 8 -6.323 -8.677 -4.394 72 HG3 LYS 8 3HG LYS 8 -5.612 -8.514 -6.002 73 HD2 LYS 8 2HD LYS 8 -6.386 -11.118 -4.686 74 HD3 LYS 8 3HD LYS 8 -7.330 -10.274 -5.916 75 HE2 LYS 8 2HE LYS 8 -4.538 -11.365 -6.259 76 HE3 LYS 8 3HE LYS 8 -6.017 -12.088 -6.892 77 HZ1 LYS 8 1HZ LYS 8 -5.648 -10.882 -8.703 78 HZ2 LYS 8 2HZ LYS 8 -4.445 -9.957 -7.957 79 HZ3 LYS 8 3HZ LYS 8 -6.070 -9.513 -7.803 80 H CYS 9 H CYS 9 -2.663 -12.245 -3.153 81 HA CYS 9 HA CYS 9 -0.634 -10.629 -1.755 82 HB2 CYS 9 2HB CYS 9 0.079 -12.816 -0.699 83 HB3 CYS 9 3HB CYS 9 -1.477 -12.191 -0.168 84 HG CYS 9 HG CYS 9 -1.332 -14.510 -2.656 85 HA PRO 10 HA PRO 10 1.110 -12.247 -5.761 86 HB2 PRO 10 2HB PRO 10 2.156 -9.870 -6.551 87 HB3 PRO 10 3HB PRO 10 0.494 -10.355 -6.910 88 HG2 PRO 10 2HG PRO 10 1.517 -8.552 -4.750 89 HG3 PRO 10 3HG PRO 10 0.100 -8.351 -5.797 90 HD2 PRO 10 2HD PRO 10 -0.089 -9.240 -3.247 91 HD3 PRO 10 3HD PRO 10 -1.197 -9.772 -4.528 92 H LEU 11 H LEU 11 2.583 -9.745 -3.682 93 HA LEU 11 HA LEU 11 5.111 -11.250 -3.808 94 HB2 LEU 11 2HB LEU 11 5.505 -8.651 -2.736 95 HB3 LEU 11 3HB LEU 11 6.129 -9.333 -4.237 96 HG LEU 11 HG LEU 11 3.411 -8.055 -4.045 97 HD11 LEU 11 1HD1 LEU 11 4.485 -6.127 -3.683 98 HD12 LEU 11 2HD1 LEU 11 4.979 -6.260 -5.371 99 HD13 LEU 11 3HD1 LEU 11 6.058 -6.813 -4.091 100 HD21 LEU 11 1HD2 LEU 11 4.350 -9.640 -5.968 101 HD22 LEU 11 2HD2 LEU 11 5.056 -8.117 -6.509 102 HD23 LEU 11 3HD2 LEU 11 3.309 -8.257 -6.304 103 H PHE 12 H PHE 12 3.980 -8.766 -1.545 104 HA PHE 12 HA PHE 12 4.336 -10.712 0.640 105 HB2 PHE 12 2HB PHE 12 4.698 -8.176 1.751 106 HB3 PHE 12 3HB PHE 12 5.949 -9.371 1.424 107 HD1 PHE 12 HD1 PHE 12 4.287 -6.341 0.186 108 HD2 PHE 12 HD2 PHE 12 7.465 -9.111 -0.404 109 HE1 PHE 12 HE1 PHE 12 5.329 -4.799 -1.424 110 HE2 PHE 12 HE2 PHE 12 8.512 -7.573 -2.014 111 HZ PHE 12 HZ PHE 12 7.444 -5.413 -2.525 112 H GLY 13 H GLY 13 2.099 -11.203 0.593 113 HA2 GLY 13 2HA GLY 13 0.219 -9.036 1.132 114 HA3 GLY 13 3HA GLY 13 -0.191 -10.714 0.809 115 H LYS 14 H LYS 14 2.300 -10.482 3.054 116 HA LYS 14 HA LYS 14 0.637 -11.472 5.160 117 HB2 LYS 14 2HB LYS 14 3.526 -10.590 5.288 118 HB3 LYS 14 3HB LYS 14 2.687 -11.596 6.462 119 HG2 LYS 14 2HG LYS 14 2.851 -13.457 5.192 120 HG3 LYS 14 3HG LYS 14 2.700 -12.568 3.675 121 HD2 LYS 14 2HD LYS 14 5.052 -11.654 4.258 122 HD3 LYS 14 3HD LYS 14 5.129 -13.023 5.370 123 HE2 LYS 14 2HE LYS 14 4.173 -14.057 2.950 124 HE3 LYS 14 3HE LYS 14 5.480 -12.958 2.513 125 HZ1 LYS 14 1HZ LYS 14 7.017 -14.281 3.445 126 HZ2 LYS 14 2HZ LYS 14 5.852 -15.492 3.252 127 HZ3 LYS 14 3HZ LYS 14 6.030 -14.722 4.747 128 H GLY 15 H GLY 15 2.446 -8.460 4.620 129 HA2 GLY 15 2HA GLY 15 0.861 -7.250 6.803 130 HA3 GLY 15 3HA GLY 15 2.527 -6.803 6.464 131 H GLY 16 H GLY 16 2.078 -6.900 3.542 132 HA2 GLY 16 2HA GLY 16 1.633 -5.360 1.896 133 HA3 GLY 16 3HA GLY 16 0.044 -5.264 2.640 Start of MODEL 14 1 H1 VAL 1 H VAL 1 1.947 -0.783 0.879 2 HA VAL 1 HA VAL 1 2.329 0.909 -1.267 3 HB VAL 1 HB VAL 1 4.154 -0.554 -1.974 4 HG11 VAL 1 1HG1 VAL 1 5.453 0.025 -0.230 5 HG12 VAL 1 2HG1 VAL 1 3.984 0.799 0.369 6 HG13 VAL 1 3HG1 VAL 1 4.431 -0.809 0.940 7 HG21 VAL 1 1HG2 VAL 1 3.214 -2.513 0.111 8 HG22 VAL 1 2HG2 VAL 1 2.870 -2.682 -1.610 9 HG23 VAL 1 3HG2 VAL 1 4.538 -2.710 -1.037 10 H ALA 2 H ALA 2 0.576 -2.074 -1.131 11 HA ALA 2 HA ALA 2 0.078 -1.879 -4.030 12 HB1 ALA 2 1HB ALA 2 0.217 -4.151 -4.323 13 HB2 ALA 2 2HB ALA 2 1.445 -3.903 -3.081 14 HB3 ALA 2 3HB ALA 2 -0.153 -4.502 -2.634 15 H ARG 3 H ARG 3 -1.965 -1.438 -4.508 16 HA ARG 3 HA ARG 3 -4.008 -1.004 -2.748 17 HB2 ARG 3 2HB ARG 3 -5.466 -0.892 -4.583 18 HB3 ARG 3 3HB ARG 3 -3.892 -0.489 -5.256 19 HG2 ARG 3 2HG ARG 3 -3.798 -3.058 -5.765 20 HG3 ARG 3 3HG ARG 3 -5.554 -2.926 -5.641 21 HD2 ARG 3 2HD ARG 3 -4.965 -0.787 -7.210 22 HD3 ARG 3 3HD ARG 3 -3.721 -1.932 -7.709 23 HE ARG 3 HE ARG 3 -5.335 -3.133 -8.780 24 HH11 ARG 3 1HH1 ARG 3 -6.858 -1.092 -6.406 25 HH12 ARG 3 2HH1 ARG 3 -8.469 -1.504 -6.895 26 HH21 ARG 3 1HH2 ARG 3 -7.451 -3.683 -9.432 27 HH22 ARG 3 2HH2 ARG 3 -8.805 -2.979 -8.615 28 H GLY 4 H GLY 4 -2.993 -4.053 -4.139 29 HA2 GLY 4 2HA GLY 4 -5.103 -5.398 -2.564 30 HA3 GLY 4 3HA GLY 4 -4.509 -6.012 -4.100 31 H TRP 5 H TRP 5 -4.189 -6.134 -0.751 32 HA TRP 5 HA TRP 5 -1.664 -7.632 -1.013 33 HB2 TRP 5 2HB TRP 5 -2.520 -5.604 0.994 34 HB3 TRP 5 3HB TRP 5 -1.550 -6.959 1.564 35 HD1 TRP 5 HD1 TRP 5 -0.842 -3.650 0.966 36 HE1 TRP 5 HE1 TRP 5 1.439 -3.222 -0.147 37 HE3 TRP 5 HE3 TRP 5 0.052 -8.333 -0.880 38 HZ2 TRP 5 HZ2 TRP 5 3.363 -4.678 -1.613 39 HZ3 TRP 5 HZ3 TRP 5 2.136 -8.732 -2.126 40 HH2 TRP 5 HH2 TRP 5 3.755 -6.940 -2.485 41 H LYS 6 H LYS 6 -3.921 -7.247 1.695 42 HA LYS 6 HA LYS 6 -3.917 -9.579 2.895 43 HB2 LYS 6 2HB LYS 6 -6.620 -9.398 2.686 44 HB3 LYS 6 3HB LYS 6 -5.645 -8.431 3.783 45 HG2 LYS 6 2HG LYS 6 -5.676 -6.571 2.318 46 HG3 LYS 6 3HG LYS 6 -6.351 -7.536 1.003 47 HD2 LYS 6 2HD LYS 6 -7.922 -7.473 3.501 48 HD3 LYS 6 3HD LYS 6 -7.827 -5.952 2.609 49 HE2 LYS 6 2HE LYS 6 -8.351 -8.289 0.928 50 HE3 LYS 6 3HE LYS 6 -9.609 -7.973 2.122 51 HZ1 LYS 6 1HZ LYS 6 -9.194 -6.673 -0.301 52 HZ2 LYS 6 2HZ LYS 6 -8.845 -5.550 0.914 53 HZ3 LYS 6 3HZ LYS 6 -10.352 -6.317 0.880 54 H ARG 7 H ARG 7 -6.405 -9.325 0.370 55 HA ARG 7 HA ARG 7 -6.445 -12.148 -0.029 56 HB2 ARG 7 2HB ARG 7 -8.009 -11.609 -1.893 57 HB3 ARG 7 3HB ARG 7 -8.472 -10.893 -0.355 58 HG2 ARG 7 2HG ARG 7 -7.049 -8.865 -1.356 59 HG3 ARG 7 3HG ARG 7 -7.594 -9.607 -2.862 60 HD2 ARG 7 2HD ARG 7 -9.462 -8.949 -0.598 61 HD3 ARG 7 3HD ARG 7 -9.084 -7.804 -1.885 62 HE ARG 7 HE ARG 7 -9.871 -10.087 -3.176 63 HH11 ARG 7 1HH1 ARG 7 -11.276 -7.957 -0.807 64 HH12 ARG 7 2HH1 ARG 7 -12.904 -8.242 -1.326 65 HH21 ARG 7 1HH2 ARG 7 -12.010 -10.471 -3.868 66 HH22 ARG 7 2HH2 ARG 7 -13.321 -9.673 -3.067 67 H LYS 8 H LYS 8 -5.310 -9.415 -2.001 68 HA LYS 8 HA LYS 8 -4.129 -11.227 -3.940 69 HB2 LYS 8 2HB LYS 8 -4.522 -8.265 -3.763 70 HB3 LYS 8 3HB LYS 8 -3.312 -8.906 -4.867 71 HG2 LYS 8 2HG LYS 8 -6.224 -9.670 -4.871 72 HG3 LYS 8 3HG LYS 8 -5.480 -8.489 -5.950 73 HD2 LYS 8 2HD LYS 8 -4.857 -10.115 -7.331 74 HD3 LYS 8 3HD LYS 8 -3.951 -10.896 -6.032 75 HE2 LYS 8 2HE LYS 8 -5.951 -12.072 -5.315 76 HE3 LYS 8 3HE LYS 8 -6.904 -11.243 -6.545 77 HZ1 LYS 8 1HZ LYS 8 -5.095 -13.491 -6.810 78 HZ2 LYS 8 2HZ LYS 8 -4.973 -12.327 -8.032 79 HZ3 LYS 8 3HZ LYS 8 -6.457 -13.081 -7.728 80 H CYS 9 H CYS 9 -2.345 -12.218 -3.182 81 HA CYS 9 HA CYS 9 -0.256 -10.536 -1.965 82 HB2 CYS 9 2HB CYS 9 0.623 -12.719 -1.043 83 HB3 CYS 9 3HB CYS 9 -0.922 -12.192 -0.387 84 HG CYS 9 HG CYS 9 -0.362 -15.102 -1.223 85 HA PRO 10 HA PRO 10 1.287 -11.886 -6.137 86 HB2 PRO 10 2HB PRO 10 2.256 -9.447 -6.832 87 HB3 PRO 10 3HB PRO 10 0.581 -9.933 -7.122 88 HG2 PRO 10 2HG PRO 10 1.712 -8.258 -4.913 89 HG3 PRO 10 3HG PRO 10 0.233 -8.012 -5.859 90 HD2 PRO 10 2HD PRO 10 0.208 -9.066 -3.365 91 HD3 PRO 10 3HD PRO 10 -0.969 -9.531 -4.610 92 H LEU 11 H LEU 11 2.833 -9.550 -3.928 93 HA LEU 11 HA LEU 11 5.370 -10.998 -4.314 94 HB2 LEU 11 2HB LEU 11 5.830 -8.468 -3.129 95 HB3 LEU 11 3HB LEU 11 6.338 -9.050 -4.712 96 HG LEU 11 HG LEU 11 3.631 -7.824 -4.257 97 HD11 LEU 11 1HD1 LEU 11 5.139 -5.911 -5.522 98 HD12 LEU 11 2HD1 LEU 11 6.238 -6.526 -4.289 99 HD13 LEU 11 3HD1 LEU 11 4.659 -5.893 -3.825 100 HD21 LEU 11 1HD2 LEU 11 4.497 -9.225 -6.352 101 HD22 LEU 11 2HD2 LEU 11 5.139 -7.645 -6.800 102 HD23 LEU 11 3HD2 LEU 11 3.410 -7.846 -6.515 103 H PHE 12 H PHE 12 4.351 -8.651 -1.858 104 HA PHE 12 HA PHE 12 4.836 -10.709 0.194 105 HB2 PHE 12 2HB PHE 12 5.299 -8.330 1.490 106 HB3 PHE 12 3HB PHE 12 6.544 -9.395 0.846 107 HD1 PHE 12 HD1 PHE 12 4.573 -6.355 0.206 108 HD2 PHE 12 HD2 PHE 12 7.839 -8.780 -1.047 109 HE1 PHE 12 HE1 PHE 12 5.332 -4.554 -1.289 110 HE2 PHE 12 HE2 PHE 12 8.604 -6.983 -2.543 111 HZ PHE 12 HZ PHE 12 7.351 -4.866 -2.665 112 H GLY 13 H GLY 13 2.649 -11.236 0.382 113 HA2 GLY 13 2HA GLY 13 0.709 -9.154 0.937 114 HA3 GLY 13 3HA GLY 13 0.394 -10.881 0.848 115 H LYS 14 H LYS 14 2.944 -10.849 2.770 116 HA LYS 14 HA LYS 14 1.696 -11.581 5.094 117 HB2 LYS 14 2HB LYS 14 4.390 -10.551 4.421 118 HB3 LYS 14 3HB LYS 14 3.939 -10.482 6.119 119 HG2 LYS 14 2HG LYS 14 3.958 -12.943 4.383 120 HG3 LYS 14 3HG LYS 14 5.137 -12.529 5.630 121 HD2 LYS 14 2HD LYS 14 3.851 -13.433 7.204 122 HD3 LYS 14 3HD LYS 14 2.489 -12.418 6.725 123 HE2 LYS 14 2HE LYS 14 2.178 -14.113 4.813 124 HE3 LYS 14 3HE LYS 14 3.229 -15.162 5.763 125 HZ1 LYS 14 1HZ LYS 14 1.472 -14.386 7.612 126 HZ2 LYS 14 2HZ LYS 14 1.295 -15.788 6.683 127 HZ3 LYS 14 3HZ LYS 14 0.481 -14.373 6.241 128 H GLY 15 H GLY 15 3.516 -8.552 5.190 129 HA2 GLY 15 2HA GLY 15 1.536 -7.444 7.007 130 HA3 GLY 15 3HA GLY 15 3.093 -6.738 6.603 131 H GLY 16 H GLY 16 2.487 -7.091 3.682 132 HA2 GLY 16 2HA GLY 16 1.742 -5.710 2.003 133 HA3 GLY 16 3HA GLY 16 0.205 -5.783 2.852 Start of MODEL 15 1 H1 VAL 1 H VAL 1 0.766 0.327 0.124 2 HA VAL 1 HA VAL 1 3.275 0.340 -1.426 3 HB VAL 1 HB VAL 1 2.160 -1.807 0.368 4 HG11 VAL 1 1HG1 VAL 1 4.061 -2.037 -1.926 5 HG12 VAL 1 2HG1 VAL 1 4.243 -3.085 -0.519 6 HG13 VAL 1 3HG1 VAL 1 2.745 -3.109 -1.450 7 HG21 VAL 1 1HG2 VAL 1 3.577 -0.176 1.457 8 HG22 VAL 1 2HG2 VAL 1 4.427 -1.717 1.342 9 HG23 VAL 1 3HG2 VAL 1 4.827 -0.404 0.234 10 H ALA 2 H ALA 2 0.707 -2.079 -1.029 11 HA ALA 2 HA ALA 2 0.176 -1.878 -3.922 12 HB1 ALA 2 1HB ALA 2 -0.174 -4.493 -2.559 13 HB2 ALA 2 2HB ALA 2 0.288 -4.135 -4.223 14 HB3 ALA 2 3HB ALA 2 1.467 -3.960 -2.923 15 H ARG 3 H ARG 3 -1.851 -1.338 -4.359 16 HA ARG 3 HA ARG 3 -3.849 -0.902 -2.513 17 HB2 ARG 3 2HB ARG 3 -5.293 -0.527 -4.310 18 HB3 ARG 3 3HB ARG 3 -3.704 -0.207 -4.992 19 HG2 ARG 3 2HG ARG 3 -3.797 -2.693 -5.723 20 HG3 ARG 3 3HG ARG 3 -5.533 -2.517 -5.464 21 HD2 ARG 3 2HD ARG 3 -5.437 -0.496 -6.963 22 HD3 ARG 3 3HD ARG 3 -3.780 -0.957 -7.350 23 HE ARG 3 HE ARG 3 -5.705 -3.056 -7.759 24 HH11 ARG 3 1HH1 ARG 3 -4.123 -0.293 -9.168 25 HH12 ARG 3 2HH1 ARG 3 -4.379 -0.815 -10.800 26 HH21 ARG 3 1HH2 ARG 3 -6.048 -3.754 -9.904 27 HH22 ARG 3 2HH2 ARG 3 -5.475 -2.783 -11.218 28 H GLY 4 H GLY 4 -2.936 -3.875 -4.089 29 HA2 GLY 4 2HA GLY 4 -5.154 -5.238 -2.688 30 HA3 GLY 4 3HA GLY 4 -4.516 -5.776 -4.235 31 H TRP 5 H TRP 5 -4.288 -6.033 -0.861 32 HA TRP 5 HA TRP 5 -1.853 -7.671 -1.136 33 HB2 TRP 5 2HB TRP 5 -2.625 -5.662 0.925 34 HB3 TRP 5 3HB TRP 5 -1.737 -7.086 1.461 35 HD1 TRP 5 HD1 TRP 5 -0.852 -3.796 0.962 36 HE1 TRP 5 HE1 TRP 5 1.467 -3.460 -0.103 37 HE3 TRP 5 HE3 TRP 5 -0.166 -8.474 -0.983 38 HZ2 TRP 5 HZ2 TRP 5 3.339 -4.978 -1.572 39 HZ3 TRP 5 HZ3 TRP 5 1.916 -8.950 -2.204 40 HH2 TRP 5 HH2 TRP 5 3.631 -7.237 -2.492 41 H LYS 6 H LYS 6 -4.096 -7.246 1.574 42 HA LYS 6 HA LYS 6 -4.226 -9.672 2.626 43 HB2 LYS 6 2HB LYS 6 -6.760 -9.318 2.911 44 HB3 LYS 6 3HB LYS 6 -5.678 -8.097 3.569 45 HG2 LYS 6 2HG LYS 6 -6.043 -6.762 1.495 46 HG3 LYS 6 3HG LYS 6 -7.266 -7.943 1.018 47 HD2 LYS 6 2HD LYS 6 -7.468 -6.737 3.728 48 HD3 LYS 6 3HD LYS 6 -7.892 -5.732 2.340 49 HE2 LYS 6 2HE LYS 6 -9.505 -7.400 1.606 50 HE3 LYS 6 3HE LYS 6 -9.052 -8.451 2.947 51 HZ1 LYS 6 1HZ LYS 6 -10.983 -6.454 2.931 52 HZ2 LYS 6 2HZ LYS 6 -9.741 -5.908 3.941 53 HZ3 LYS 6 3HZ LYS 6 -10.483 -7.398 4.243 54 H ARG 7 H ARG 7 -6.113 -8.793 -0.262 55 HA ARG 7 HA ARG 7 -6.939 -11.532 -0.669 56 HB2 ARG 7 2HB ARG 7 -7.445 -8.929 -2.063 57 HB3 ARG 7 3HB ARG 7 -7.801 -10.440 -2.890 58 HG2 ARG 7 2HG ARG 7 -9.290 -11.085 -1.054 59 HG3 ARG 7 3HG ARG 7 -8.947 -9.552 -0.251 60 HD2 ARG 7 2HD ARG 7 -9.688 -8.668 -2.690 61 HD3 ARG 7 3HD ARG 7 -10.656 -10.138 -2.580 62 HE ARG 7 HE ARG 7 -11.073 -7.705 -1.157 63 HH11 ARG 7 1HH1 ARG 7 -11.403 -11.164 -0.936 64 HH12 ARG 7 2HH1 ARG 7 -12.704 -11.097 0.206 65 HH21 ARG 7 1HH2 ARG 7 -12.785 -7.605 0.347 66 HH22 ARG 7 2HH2 ARG 7 -13.490 -9.073 0.935 67 H LYS 8 H LYS 8 -5.511 -9.291 -3.029 68 HA LYS 8 HA LYS 8 -4.226 -11.453 -4.411 69 HB2 LYS 8 2HB LYS 8 -3.990 -8.463 -4.800 70 HB3 LYS 8 3HB LYS 8 -3.365 -9.684 -5.901 71 HG2 LYS 8 2HG LYS 8 -6.244 -9.822 -5.229 72 HG3 LYS 8 3HG LYS 8 -5.711 -8.490 -6.258 73 HD2 LYS 8 2HD LYS 8 -6.079 -10.029 -7.886 74 HD3 LYS 8 3HD LYS 8 -4.428 -10.495 -7.470 75 HE2 LYS 8 2HE LYS 8 -5.258 -12.240 -6.009 76 HE3 LYS 8 3HE LYS 8 -6.920 -11.735 -6.308 77 HZ1 LYS 8 1HZ LYS 8 -5.322 -13.504 -7.808 78 HZ2 LYS 8 2HZ LYS 8 -5.748 -12.191 -8.784 79 HZ3 LYS 8 3HZ LYS 8 -6.952 -13.107 -8.027 80 H CYS 9 H CYS 9 -2.393 -12.349 -3.760 81 HA CYS 9 HA CYS 9 -0.409 -10.657 -2.388 82 HB2 CYS 9 2HB CYS 9 0.422 -12.837 -1.408 83 HB3 CYS 9 3HB CYS 9 -1.162 -12.312 -0.850 84 HG CYS 9 HG CYS 9 -2.576 -14.287 -1.822 85 HA PRO 10 HA PRO 10 1.423 -11.985 -6.443 86 HB2 PRO 10 2HB PRO 10 2.465 -9.550 -7.035 87 HB3 PRO 10 3HB PRO 10 0.810 -10.013 -7.448 88 HG2 PRO 10 2HG PRO 10 1.801 -8.378 -5.144 89 HG3 PRO 10 3HG PRO 10 0.394 -8.103 -6.189 90 HD2 PRO 10 2HD PRO 10 0.183 -9.187 -3.717 91 HD3 PRO 10 3HD PRO 10 -0.909 -9.622 -5.047 92 H LEU 11 H LEU 11 2.773 -9.825 -3.960 93 HA LEU 11 HA LEU 11 5.340 -11.246 -4.242 94 HB2 LEU 11 2HB LEU 11 5.703 -8.742 -2.946 95 HB3 LEU 11 3HB LEU 11 6.373 -9.304 -4.477 96 HG LEU 11 HG LEU 11 3.644 -8.053 -4.277 97 HD11 LEU 11 1HD1 LEU 11 6.290 -6.793 -4.144 98 HD12 LEU 11 2HD1 LEU 11 4.708 -6.173 -3.673 99 HD13 LEU 11 3HD1 LEU 11 5.206 -6.122 -5.364 100 HD21 LEU 11 1HD2 LEU 11 4.638 -9.459 -6.289 101 HD22 LEU 11 2HD2 LEU 11 5.410 -7.917 -6.661 102 HD23 LEU 11 3HD2 LEU 11 3.652 -8.022 -6.555 103 H PHE 12 H PHE 12 4.131 -8.967 -1.805 104 HA PHE 12 HA PHE 12 4.457 -11.086 0.217 105 HB2 PHE 12 2HB PHE 12 4.777 -8.659 1.553 106 HB3 PHE 12 3HB PHE 12 6.048 -9.805 1.139 107 HD1 PHE 12 HD1 PHE 12 4.395 -6.675 0.195 108 HD2 PHE 12 HD2 PHE 12 7.565 -9.381 -0.670 109 HE1 PHE 12 HE1 PHE 12 5.443 -4.980 -1.248 110 HE2 PHE 12 HE2 PHE 12 8.619 -7.690 -2.114 111 HZ PHE 12 HZ PHE 12 7.559 -5.486 -2.404 112 H GLY 13 H GLY 13 2.237 -11.596 0.115 113 HA2 GLY 13 2HA GLY 13 0.278 -9.526 0.650 114 HA3 GLY 13 3HA GLY 13 -0.048 -11.235 0.402 115 H LYS 14 H LYS 14 2.361 -11.242 2.569 116 HA LYS 14 HA LYS 14 0.521 -11.647 4.782 117 HB2 LYS 14 2HB LYS 14 2.094 -13.368 4.675 118 HB3 LYS 14 3HB LYS 14 3.415 -12.270 4.296 119 HG2 LYS 14 2HG LYS 14 2.458 -11.513 6.827 120 HG3 LYS 14 3HG LYS 14 2.570 -13.275 6.833 121 HD2 LYS 14 2HD LYS 14 4.712 -12.783 7.432 122 HD3 LYS 14 3HD LYS 14 4.905 -12.742 5.678 123 HE2 LYS 14 2HE LYS 14 5.955 -10.806 6.739 124 HE3 LYS 14 3HE LYS 14 4.622 -10.322 5.693 125 HZ1 LYS 14 1HZ LYS 14 3.284 -9.815 7.498 126 HZ2 LYS 14 2HZ LYS 14 4.802 -9.264 7.998 127 HZ3 LYS 14 3HZ LYS 14 4.201 -10.732 8.584 128 H GLY 15 H GLY 15 3.175 -9.511 3.868 129 HA2 GLY 15 2HA GLY 15 2.639 -7.920 6.299 130 HA3 GLY 15 3HA GLY 15 4.191 -7.971 5.476 131 H GLY 16 H GLY 16 1.102 -7.737 3.821 132 HA2 GLY 16 2HA GLY 16 1.812 -5.688 2.120 133 HA3 GLY 16 3HA GLY 16 0.156 -6.044 2.586 Start of MODEL 16 1 H1 VAL 1 H VAL 1 1.455 1.278 -0.031 2 HA VAL 1 HA VAL 1 2.530 0.809 -2.112 3 HB VAL 1 HB VAL 1 3.918 -0.382 -0.775 4 HG11 VAL 1 1HG1 VAL 1 2.782 -0.857 1.135 5 HG12 VAL 1 2HG1 VAL 1 1.409 -1.558 0.276 6 HG13 VAL 1 3HG1 VAL 1 2.891 -2.492 0.483 7 HG21 VAL 1 1HG2 VAL 1 3.467 -1.673 -2.950 8 HG22 VAL 1 2HG2 VAL 1 4.326 -2.507 -1.654 9 HG23 VAL 1 3HG2 VAL 1 2.613 -2.826 -1.924 10 H ALA 2 H ALA 2 0.454 -1.976 -1.287 11 HA ALA 2 HA ALA 2 -0.285 -2.140 -4.136 12 HB1 ALA 2 1HB ALA 2 0.177 -4.336 -4.256 13 HB2 ALA 2 2HB ALA 2 1.234 -4.000 -2.884 14 HB3 ALA 2 3HB ALA 2 -0.383 -4.651 -2.613 15 H ARG 3 H ARG 3 -2.381 -1.844 -4.466 16 HA ARG 3 HA ARG 3 -4.267 -1.494 -2.439 17 HB2 ARG 3 2HB ARG 3 -5.842 -1.179 -4.126 18 HB3 ARG 3 3HB ARG 3 -4.330 -0.765 -4.922 19 HG2 ARG 3 2HG ARG 3 -4.343 -3.259 -5.657 20 HG3 ARG 3 3HG ARG 3 -6.065 -3.163 -5.286 21 HD2 ARG 3 2HD ARG 3 -4.999 -0.945 -6.897 22 HD3 ARG 3 3HD ARG 3 -4.974 -2.523 -7.682 23 HE ARG 3 HE ARG 3 -7.498 -2.075 -6.504 24 HH11 ARG 3 1HH1 ARG 3 -5.524 -1.045 -9.180 25 HH12 ARG 3 2HH1 ARG 3 -6.873 -0.642 -10.189 26 HH21 ARG 3 1HH2 ARG 3 -9.283 -1.549 -7.823 27 HH22 ARG 3 2HH2 ARG 3 -9.011 -0.928 -9.416 28 H GLY 4 H GLY 4 -3.223 -4.365 -4.111 29 HA2 GLY 4 2HA GLY 4 -5.336 -5.914 -2.752 30 HA3 GLY 4 3HA GLY 4 -4.501 -6.429 -4.210 31 H TRP 5 H TRP 5 -4.473 -6.376 -0.778 32 HA TRP 5 HA TRP 5 -1.961 -7.917 -0.797 33 HB2 TRP 5 2HB TRP 5 -2.883 -5.739 1.028 34 HB3 TRP 5 3HB TRP 5 -1.897 -7.035 1.697 35 HD1 TRP 5 HD1 TRP 5 -1.266 -3.751 0.838 36 HE1 TRP 5 HE1 TRP 5 1.032 -3.360 -0.254 37 HE3 TRP 5 HE3 TRP 5 -0.204 -8.552 -0.561 38 HZ2 TRP 5 HZ2 TRP 5 3.030 -4.884 -1.539 39 HZ3 TRP 5 HZ3 TRP 5 1.921 -9.001 -1.717 40 HH2 TRP 5 HH2 TRP 5 3.503 -7.204 -2.196 41 H LYS 6 H LYS 6 -4.311 -7.267 1.777 42 HA LYS 6 HA LYS 6 -4.386 -9.526 3.136 43 HB2 LYS 6 2HB LYS 6 -7.023 -9.282 3.063 44 HB3 LYS 6 3HB LYS 6 -6.013 -8.094 3.876 45 HG2 LYS 6 2HG LYS 6 -6.505 -7.575 1.027 46 HG3 LYS 6 3HG LYS 6 -7.926 -7.492 2.071 47 HD2 LYS 6 2HD LYS 6 -5.715 -6.160 3.325 48 HD3 LYS 6 3HD LYS 6 -5.944 -5.531 1.692 49 HE2 LYS 6 2HE LYS 6 -8.218 -5.855 3.631 50 HE3 LYS 6 3HE LYS 6 -7.237 -4.391 3.565 51 HZ1 LYS 6 1HZ LYS 6 -7.904 -4.815 0.973 52 HZ2 LYS 6 2HZ LYS 6 -8.675 -3.731 2.017 53 HZ3 LYS 6 3HZ LYS 6 -9.309 -5.283 1.791 54 H ARG 7 H ARG 7 -6.164 -9.174 0.070 55 HA ARG 7 HA ARG 7 -6.732 -12.018 0.009 56 HB2 ARG 7 2HB ARG 7 -7.579 -11.137 -2.399 57 HB3 ARG 7 3HB ARG 7 -8.547 -11.049 -0.934 58 HG2 ARG 7 2HG ARG 7 -8.159 -8.775 -0.662 59 HG3 ARG 7 3HG ARG 7 -6.739 -8.796 -1.710 60 HD2 ARG 7 2HD ARG 7 -7.977 -8.359 -3.506 61 HD3 ARG 7 3HD ARG 7 -9.075 -9.689 -3.138 62 HE ARG 7 HE ARG 7 -9.662 -7.541 -1.437 63 HH11 ARG 7 1HH1 ARG 7 -9.850 -8.407 -4.804 64 HH12 ARG 7 2HH1 ARG 7 -11.215 -7.389 -5.124 65 HH21 ARG 7 1HH2 ARG 7 -11.459 -6.197 -1.846 66 HH22 ARG 7 2HH2 ARG 7 -12.128 -6.131 -3.441 67 H LYS 8 H LYS 8 -5.538 -9.916 -2.596 68 HA LYS 8 HA LYS 8 -4.068 -12.042 -3.797 69 HB2 LYS 8 2HB LYS 8 -3.822 -9.084 -4.361 70 HB3 LYS 8 3HB LYS 8 -3.366 -10.407 -5.426 71 HG2 LYS 8 2HG LYS 8 -6.166 -9.718 -4.558 72 HG3 LYS 8 3HG LYS 8 -5.451 -9.391 -6.138 73 HD2 LYS 8 2HD LYS 8 -5.816 -12.137 -4.939 74 HD3 LYS 8 3HD LYS 8 -6.896 -11.400 -6.125 75 HE2 LYS 8 2HE LYS 8 -4.932 -11.191 -7.658 76 HE3 LYS 8 3HE LYS 8 -3.993 -12.123 -6.493 77 HZ1 LYS 8 1HZ LYS 8 -5.849 -13.842 -6.740 78 HZ2 LYS 8 2HZ LYS 8 -4.735 -13.697 -8.005 79 HZ3 LYS 8 3HZ LYS 8 -6.271 -13.005 -8.149 80 H CYS 9 H CYS 9 -2.230 -12.821 -3.015 81 HA CYS 9 HA CYS 9 -0.351 -10.958 -1.721 82 HB2 CYS 9 2HB CYS 9 -0.430 -13.946 -1.309 83 HB3 CYS 9 3HB CYS 9 0.425 -12.746 -0.347 84 HG CYS 9 HG CYS 9 -2.949 -13.285 -0.438 85 HA PRO 10 HA PRO 10 1.627 -12.444 -5.654 86 HB2 PRO 10 2HB PRO 10 2.542 -9.998 -6.395 87 HB3 PRO 10 3HB PRO 10 0.924 -10.583 -6.803 88 HG2 PRO 10 2HG PRO 10 1.774 -8.742 -4.601 89 HG3 PRO 10 3HG PRO 10 0.376 -8.619 -5.685 90 HD2 PRO 10 2HD PRO 10 0.176 -9.544 -3.148 91 HD3 PRO 10 3HD PRO 10 -0.863 -10.130 -4.463 92 H LEU 11 H LEU 11 2.857 -9.929 -3.443 93 HA LEU 11 HA LEU 11 5.477 -11.274 -3.515 94 HB2 LEU 11 2HB LEU 11 5.710 -8.643 -2.474 95 HB3 LEU 11 3HB LEU 11 6.413 -9.316 -3.944 96 HG LEU 11 HG LEU 11 3.624 -8.196 -3.877 97 HD11 LEU 11 1HD1 LEU 11 5.118 -6.288 -5.112 98 HD12 LEU 11 2HD1 LEU 11 6.186 -6.780 -3.798 99 HD13 LEU 11 3HD1 LEU 11 4.556 -6.207 -3.443 100 HD21 LEU 11 1HD2 LEU 11 4.735 -9.710 -5.748 101 HD22 LEU 11 2HD2 LEU 11 5.415 -8.159 -6.244 102 HD23 LEU 11 3HD2 LEU 11 3.665 -8.365 -6.147 103 H PHE 12 H PHE 12 4.151 -8.817 -1.330 104 HA PHE 12 HA PHE 12 4.533 -10.709 0.897 105 HB2 PHE 12 2HB PHE 12 4.749 -8.190 2.023 106 HB3 PHE 12 3HB PHE 12 6.086 -9.273 1.651 107 HD1 PHE 12 HD1 PHE 12 4.175 -6.354 0.506 108 HD2 PHE 12 HD2 PHE 12 7.563 -8.840 -0.173 109 HE1 PHE 12 HE1 PHE 12 5.076 -4.691 -1.068 110 HE2 PHE 12 HE2 PHE 12 8.470 -7.180 -1.747 111 HZ PHE 12 HZ PHE 12 7.227 -5.102 -2.195 112 H GLY 13 H GLY 13 2.344 -11.325 0.850 113 HA2 GLY 13 2HA GLY 13 0.342 -9.238 1.294 114 HA3 GLY 13 3HA GLY 13 0.017 -10.930 0.949 115 H LYS 14 H LYS 14 2.403 -10.840 3.230 116 HA LYS 14 HA LYS 14 0.764 -11.878 5.276 117 HB2 LYS 14 2HB LYS 14 3.544 -10.720 5.538 118 HB3 LYS 14 3HB LYS 14 2.760 -11.816 6.668 119 HG2 LYS 14 2HG LYS 14 3.146 -13.637 5.386 120 HG3 LYS 14 3HG LYS 14 2.992 -12.743 3.873 121 HD2 LYS 14 2HD LYS 14 5.218 -11.624 4.606 122 HD3 LYS 14 3HD LYS 14 5.364 -13.018 5.679 123 HE2 LYS 14 2HE LYS 14 4.786 -14.329 3.454 124 HE3 LYS 14 3HE LYS 14 5.454 -12.878 2.709 125 HZ1 LYS 14 1HZ LYS 14 6.833 -15.033 3.835 126 HZ2 LYS 14 2HZ LYS 14 7.158 -13.672 4.784 127 HZ3 LYS 14 3HZ LYS 14 7.475 -13.639 3.123 128 H GLY 15 H GLY 15 2.308 -8.699 4.880 129 HA2 GLY 15 2HA GLY 15 0.498 -7.685 6.986 130 HA3 GLY 15 3HA GLY 15 2.133 -7.083 6.754 131 H GLY 16 H GLY 16 1.888 -7.134 3.819 132 HA2 GLY 16 2HA GLY 16 1.400 -5.601 2.178 133 HA3 GLY 16 3HA GLY 16 -0.238 -5.684 2.812 Start of MODEL 17 1 H1 VAL 1 H VAL 1 0.209 1.478 1.261 2 HA VAL 1 HA VAL 1 2.268 0.513 0.603 3 HB VAL 1 HB VAL 1 0.816 -2.132 0.772 4 HG11 VAL 1 1HG1 VAL 1 3.747 -2.078 0.707 5 HG12 VAL 1 2HG1 VAL 1 2.611 -3.142 -0.124 6 HG13 VAL 1 3HG1 VAL 1 2.970 -1.546 -0.783 7 HG21 VAL 1 1HG2 VAL 1 2.800 -0.819 2.622 8 HG22 VAL 1 2HG2 VAL 1 1.135 -1.273 2.983 9 HG23 VAL 1 3HG2 VAL 1 2.349 -2.522 2.708 10 H ALA 2 H ALA 2 -0.260 -1.610 -0.724 11 HA ALA 2 HA ALA 2 0.172 -0.347 -3.351 12 HB1 ALA 2 1HB ALA 2 -0.354 -3.283 -2.932 13 HB2 ALA 2 2HB ALA 2 0.067 -2.466 -4.438 14 HB3 ALA 2 3HB ALA 2 1.256 -2.593 -3.141 15 H ARG 3 H ARG 3 -1.870 -2.797 -3.878 16 HA ARG 3 HA ARG 3 -4.264 -1.205 -3.230 17 HB2 ARG 3 2HB ARG 3 -5.126 -2.514 -5.388 18 HB3 ARG 3 3HB ARG 3 -4.311 -0.960 -5.496 19 HG2 ARG 3 2HG ARG 3 -2.581 -3.349 -5.551 20 HG3 ARG 3 3HG ARG 3 -3.622 -3.093 -6.953 21 HD2 ARG 3 2HD ARG 3 -2.553 -1.169 -7.568 22 HD3 ARG 3 3HD ARG 3 -2.091 -0.770 -5.914 23 HE ARG 3 HE ARG 3 -0.111 -1.826 -6.290 24 HH11 ARG 3 1HH1 ARG 3 -2.459 -3.060 -8.544 25 HH12 ARG 3 2HH1 ARG 3 -1.320 -4.059 -9.385 26 HH21 ARG 3 1HH2 ARG 3 1.398 -3.138 -7.388 27 HH22 ARG 3 2HH2 ARG 3 0.873 -4.103 -8.725 28 H GLY 4 H GLY 4 -3.669 -4.458 -4.566 29 HA2 GLY 4 2HA GLY 4 -5.598 -5.516 -2.621 30 HA3 GLY 4 3HA GLY 4 -5.084 -6.317 -4.098 31 H TRP 5 H TRP 5 -4.490 -5.861 -0.746 32 HA TRP 5 HA TRP 5 -2.151 -7.647 -0.914 33 HB2 TRP 5 2HB TRP 5 -2.816 -5.405 0.968 34 HB3 TRP 5 3HB TRP 5 -1.732 -6.697 1.476 35 HD1 TRP 5 HD1 TRP 5 -1.307 -3.394 0.473 36 HE1 TRP 5 HE1 TRP 5 0.817 -2.989 -0.924 37 HE3 TRP 5 HE3 TRP 5 -0.321 -8.213 -0.919 38 HZ2 TRP 5 HZ2 TRP 5 2.665 -4.512 -2.419 39 HZ3 TRP 5 HZ3 TRP 5 1.644 -8.654 -2.333 40 HH2 TRP 5 HH2 TRP 5 3.104 -6.840 -3.067 41 H LYS 6 H LYS 6 -4.222 -6.761 1.822 42 HA LYS 6 HA LYS 6 -4.307 -8.951 3.283 43 HB2 LYS 6 2HB LYS 6 -6.804 -8.576 3.639 44 HB3 LYS 6 3HB LYS 6 -5.748 -7.200 3.929 45 HG2 LYS 6 2HG LYS 6 -6.289 -6.417 1.610 46 HG3 LYS 6 3HG LYS 6 -7.509 -7.691 1.542 47 HD2 LYS 6 2HD LYS 6 -8.112 -6.511 3.913 48 HD3 LYS 6 3HD LYS 6 -7.523 -5.129 2.986 49 HE2 LYS 6 2HE LYS 6 -9.530 -7.035 1.833 50 HE3 LYS 6 3HE LYS 6 -10.031 -5.709 2.880 51 HZ1 LYS 6 1HZ LYS 6 -8.413 -4.467 1.132 52 HZ2 LYS 6 2HZ LYS 6 -10.095 -4.554 0.983 53 HZ3 LYS 6 3HZ LYS 6 -9.115 -5.648 0.145 54 H ARG 7 H ARG 7 -6.305 -8.635 0.353 55 HA ARG 7 HA ARG 7 -7.034 -11.439 0.475 56 HB2 ARG 7 2HB ARG 7 -7.697 -9.269 -1.523 57 HB3 ARG 7 3HB ARG 7 -8.307 -10.916 -1.611 58 HG2 ARG 7 2HG ARG 7 -9.634 -10.655 0.288 59 HG3 ARG 7 3HG ARG 7 -8.746 -9.227 0.822 60 HD2 ARG 7 2HD ARG 7 -10.133 -7.894 -0.288 61 HD3 ARG 7 3HD ARG 7 -9.828 -8.768 -1.789 62 HE ARG 7 HE ARG 7 -12.103 -9.044 -0.049 63 HH11 ARG 7 1HH1 ARG 7 -10.159 -10.570 -2.502 64 HH12 ARG 7 2HH1 ARG 7 -11.423 -11.633 -3.026 65 HH21 ARG 7 1HH2 ARG 7 -13.775 -10.439 -0.731 66 HH22 ARG 7 2HH2 ARG 7 -13.479 -11.557 -2.019 67 H LYS 8 H LYS 8 -5.711 -9.423 -2.155 68 HA LYS 8 HA LYS 8 -4.520 -11.728 -3.407 69 HB2 LYS 8 2HB LYS 8 -4.437 -8.782 -4.068 70 HB3 LYS 8 3HB LYS 8 -3.647 -10.019 -5.037 71 HG2 LYS 8 2HG LYS 8 -6.494 -10.490 -4.473 72 HG3 LYS 8 3HG LYS 8 -6.137 -9.092 -5.490 73 HD2 LYS 8 2HD LYS 8 -6.264 -10.706 -7.101 74 HD3 LYS 8 3HD LYS 8 -4.550 -10.835 -6.698 75 HE2 LYS 8 2HE LYS 8 -4.887 -12.767 -5.412 76 HE3 LYS 8 3HE LYS 8 -6.626 -12.497 -5.304 77 HZ1 LYS 8 1HZ LYS 8 -6.857 -13.816 -7.049 78 HZ2 LYS 8 2HZ LYS 8 -5.182 -13.962 -7.235 79 HZ3 LYS 8 3HZ LYS 8 -6.011 -12.701 -8.000 80 H CYS 9 H CYS 9 -2.574 -12.518 -2.979 81 HA CYS 9 HA CYS 9 -0.569 -10.730 -1.768 82 HB2 CYS 9 2HB CYS 9 -0.792 -13.706 -1.295 83 HB3 CYS 9 3HB CYS 9 0.266 -12.572 -0.465 84 HG CYS 9 HG CYS 9 -2.517 -13.634 0.594 85 HA PRO 10 HA PRO 10 1.006 -12.439 -5.818 86 HB2 PRO 10 2HB PRO 10 1.776 -10.039 -6.824 87 HB3 PRO 10 3HB PRO 10 0.144 -10.686 -7.027 88 HG2 PRO 10 2HG PRO 10 1.149 -8.665 -5.061 89 HG3 PRO 10 3HG PRO 10 -0.350 -8.655 -6.009 90 HD2 PRO 10 2HD PRO 10 -0.280 -9.387 -3.404 91 HD3 PRO 10 3HD PRO 10 -1.423 -10.094 -4.564 92 H LEU 11 H LEU 11 2.398 -9.671 -4.041 93 HA LEU 11 HA LEU 11 5.029 -10.979 -4.240 94 HB2 LEU 11 2HB LEU 11 5.256 -8.267 -3.409 95 HB3 LEU 11 3HB LEU 11 5.862 -9.031 -4.877 96 HG LEU 11 HG LEU 11 3.051 -7.984 -4.649 97 HD11 LEU 11 1HD1 LEU 11 5.536 -6.499 -4.842 98 HD12 LEU 11 2HD1 LEU 11 3.892 -5.925 -4.565 99 HD13 LEU 11 3HD1 LEU 11 4.464 -6.202 -6.211 100 HD21 LEU 11 1HD2 LEU 11 4.041 -9.637 -6.479 101 HD22 LEU 11 2HD2 LEU 11 4.599 -8.116 -7.176 102 HD23 LEU 11 3HD2 LEU 11 2.878 -8.373 -6.882 103 H PHE 12 H PHE 12 3.883 -8.397 -2.102 104 HA PHE 12 HA PHE 12 4.534 -10.121 0.197 105 HB2 PHE 12 2HB PHE 12 4.818 -7.551 1.143 106 HB3 PHE 12 3HB PHE 12 6.136 -8.607 0.646 107 HD1 PHE 12 HD1 PHE 12 4.026 -5.772 -0.314 108 HD2 PHE 12 HD2 PHE 12 7.306 -8.249 -1.420 109 HE1 PHE 12 HE1 PHE 12 4.653 -4.156 -2.061 110 HE2 PHE 12 HE2 PHE 12 7.938 -6.638 -3.168 111 HZ PHE 12 HZ PHE 12 6.612 -4.588 -3.490 112 H GLY 13 H GLY 13 2.382 -10.780 0.460 113 HA2 GLY 13 2HA GLY 13 0.358 -8.721 0.907 114 HA3 GLY 13 3HA GLY 13 0.076 -10.453 0.808 115 H LYS 14 H LYS 14 2.477 -10.702 2.729 116 HA LYS 14 HA LYS 14 0.958 -10.999 5.088 117 HB2 LYS 14 2HB LYS 14 3.964 -10.829 4.821 118 HB3 LYS 14 3HB LYS 14 3.077 -11.511 6.177 119 HG2 LYS 14 2HG LYS 14 2.613 -13.440 5.085 120 HG3 LYS 14 3HG LYS 14 2.527 -12.656 3.506 121 HD2 LYS 14 2HD LYS 14 5.096 -12.319 3.862 122 HD3 LYS 14 3HD LYS 14 4.912 -13.645 5.011 123 HE2 LYS 14 2HE LYS 14 3.514 -14.446 2.731 124 HE3 LYS 14 3HE LYS 14 4.995 -13.705 2.127 125 HZ1 LYS 14 1HZ LYS 14 4.629 -16.181 3.547 126 HZ2 LYS 14 2HZ LYS 14 5.882 -15.230 4.168 127 HZ3 LYS 14 3HZ LYS 14 5.897 -15.689 2.540 128 H GLY 15 H GLY 15 3.380 -8.571 4.135 129 HA2 GLY 15 2HA GLY 15 2.491 -6.921 6.415 130 HA3 GLY 15 3HA GLY 15 4.069 -6.804 5.650 131 H GLY 16 H GLY 16 1.307 -7.177 3.612 132 HA2 GLY 16 2HA GLY 16 1.798 -4.970 2.034 133 HA3 GLY 16 3HA GLY 16 0.223 -5.734 2.190 Start of MODEL 18 1 H1 VAL 1 H VAL 1 1.174 0.846 -1.337 2 HA VAL 1 HA VAL 1 2.624 0.712 -3.122 3 HB VAL 1 HB VAL 1 4.356 -0.367 -1.919 4 HG11 VAL 1 1HG1 VAL 1 2.834 -2.962 -2.085 5 HG12 VAL 1 2HG1 VAL 1 4.340 -2.654 -1.219 6 HG13 VAL 1 3HG1 VAL 1 2.838 -1.909 -0.670 7 HG21 VAL 1 1HG2 VAL 1 3.959 -0.823 -4.541 8 HG22 VAL 1 2HG2 VAL 1 5.385 -1.374 -3.661 9 HG23 VAL 1 3HG2 VAL 1 4.045 -2.483 -3.951 10 H ALA 2 H ALA 2 1.028 -2.363 -2.314 11 HA ALA 2 HA ALA 2 0.007 -2.449 -5.077 12 HB1 ALA 2 1HB ALA 2 0.868 -4.469 -5.386 13 HB2 ALA 2 2HB ALA 2 1.684 -4.325 -3.829 14 HB3 ALA 2 3HB ALA 2 0.088 -5.069 -3.922 15 H ARG 3 H ARG 3 -1.965 -1.514 -4.566 16 HA ARG 3 HA ARG 3 -3.655 -1.665 -2.548 17 HB2 ARG 3 2HB ARG 3 -3.967 -1.265 -5.307 18 HB3 ARG 3 3HB ARG 3 -5.186 -2.454 -4.869 19 HG2 ARG 3 2HG ARG 3 -6.413 -0.964 -3.731 20 HG3 ARG 3 3HG ARG 3 -4.996 -0.168 -3.044 21 HD2 ARG 3 2HD ARG 3 -4.733 0.572 -5.611 22 HD3 ARG 3 3HD ARG 3 -6.486 0.406 -5.531 23 HE ARG 3 HE ARG 3 -6.570 2.283 -4.221 24 HH11 ARG 3 1HH1 ARG 3 -3.293 1.116 -4.341 25 HH12 ARG 3 2HH1 ARG 3 -2.632 2.500 -3.535 26 HH21 ARG 3 1HH2 ARG 3 -5.713 4.110 -3.159 27 HH22 ARG 3 2HH2 ARG 3 -4.010 4.202 -2.862 28 H GLY 4 H GLY 4 -3.518 -4.292 -4.963 29 HA2 GLY 4 2HA GLY 4 -5.234 -6.012 -3.475 30 HA3 GLY 4 3HA GLY 4 -4.238 -6.475 -4.847 31 H TRP 5 H TRP 5 -4.308 -6.053 -1.364 32 HA TRP 5 HA TRP 5 -1.887 -7.724 -1.181 33 HB2 TRP 5 2HB TRP 5 -2.811 -5.383 0.430 34 HB3 TRP 5 3HB TRP 5 -1.878 -6.643 1.234 35 HD1 TRP 5 HD1 TRP 5 -1.130 -3.456 0.153 36 HE1 TRP 5 HE1 TRP 5 1.206 -3.206 -0.900 37 HE3 TRP 5 HE3 TRP 5 -0.167 -8.373 -0.865 38 HZ2 TRP 5 HZ2 TRP 5 3.193 -4.872 -2.015 39 HZ3 TRP 5 HZ3 TRP 5 1.974 -8.960 -1.927 40 HH2 TRP 5 HH2 TRP 5 3.617 -7.245 -2.489 41 H LYS 6 H LYS 6 -4.254 -6.816 1.290 42 HA LYS 6 HA LYS 6 -4.431 -8.978 2.793 43 HB2 LYS 6 2HB LYS 6 -6.961 -8.634 2.901 44 HB3 LYS 6 3HB LYS 6 -5.949 -7.246 3.281 45 HG2 LYS 6 2HG LYS 6 -6.264 -6.504 0.897 46 HG3 LYS 6 3HG LYS 6 -7.485 -7.771 0.752 47 HD2 LYS 6 2HD LYS 6 -7.875 -6.149 3.126 48 HD3 LYS 6 3HD LYS 6 -7.888 -5.178 1.651 49 HE2 LYS 6 2HE LYS 6 -9.422 -7.708 1.596 50 HE3 LYS 6 3HE LYS 6 -10.059 -6.420 2.617 51 HZ1 LYS 6 1HZ LYS 6 -10.574 -6.646 0.011 52 HZ2 LYS 6 2HZ LYS 6 -9.240 -5.607 -0.041 53 HZ3 LYS 6 3HZ LYS 6 -10.613 -5.177 0.849 54 H ARG 7 H ARG 7 -6.193 -8.750 -0.295 55 HA ARG 7 HA ARG 7 -6.948 -11.532 -0.184 56 HB2 ARG 7 2HB ARG 7 -7.291 -9.401 -2.295 57 HB3 ARG 7 3HB ARG 7 -7.856 -11.055 -2.491 58 HG2 ARG 7 2HG ARG 7 -9.281 -10.777 -0.502 59 HG3 ARG 7 3HG ARG 7 -8.752 -9.097 -0.387 60 HD2 ARG 7 2HD ARG 7 -10.149 -8.442 -2.003 61 HD3 ARG 7 3HD ARG 7 -9.708 -9.796 -3.043 62 HE ARG 7 HE ARG 7 -12.010 -9.599 -1.374 63 HH11 ARG 7 1HH1 ARG 7 -9.704 -11.839 -2.709 64 HH12 ARG 7 2HH1 ARG 7 -10.786 -13.190 -2.650 65 HH21 ARG 7 1HH2 ARG 7 -13.445 -11.370 -1.291 66 HH22 ARG 7 2HH2 ARG 7 -12.914 -12.923 -1.844 67 H LYS 8 H LYS 8 -5.403 -9.788 -2.868 68 HA LYS 8 HA LYS 8 -4.016 -12.159 -3.702 69 HB2 LYS 8 2HB LYS 8 -4.574 -9.518 -4.783 70 HB3 LYS 8 3HB LYS 8 -2.916 -10.014 -5.095 71 HG2 LYS 8 2HG LYS 8 -3.962 -10.851 -6.942 72 HG3 LYS 8 3HG LYS 8 -4.055 -12.245 -5.864 73 HD2 LYS 8 2HD LYS 8 -6.314 -10.637 -5.331 74 HD3 LYS 8 3HD LYS 8 -6.177 -10.768 -7.086 75 HE2 LYS 8 2HE LYS 8 -6.043 -13.139 -5.234 76 HE3 LYS 8 3HE LYS 8 -7.546 -12.557 -5.950 77 HZ1 LYS 8 1HZ LYS 8 -5.872 -12.758 -8.074 78 HZ2 LYS 8 2HZ LYS 8 -7.039 -13.900 -7.635 79 HZ3 LYS 8 3HZ LYS 8 -5.435 -14.096 -7.136 80 H CYS 9 H CYS 9 -2.140 -12.845 -2.931 81 HA CYS 9 HA CYS 9 -0.299 -10.871 -1.751 82 HB2 CYS 9 2HB CYS 9 0.543 -12.821 -0.368 83 HB3 CYS 9 3HB CYS 9 -1.076 -12.252 0.022 84 HG CYS 9 HG CYS 9 -0.824 -14.813 -2.172 85 HA PRO 10 HA PRO 10 1.771 -12.838 -5.417 86 HB2 PRO 10 2HB PRO 10 2.739 -10.508 -6.420 87 HB3 PRO 10 3HB PRO 10 1.127 -11.123 -6.803 88 HG2 PRO 10 2HG PRO 10 1.935 -9.037 -4.814 89 HG3 PRO 10 3HG PRO 10 0.571 -9.034 -5.947 90 HD2 PRO 10 2HD PRO 10 0.285 -9.643 -3.325 91 HD3 PRO 10 3HD PRO 10 -0.722 -10.375 -4.590 92 H LEU 11 H LEU 11 2.973 -10.078 -3.501 93 HA LEU 11 HA LEU 11 5.584 -11.434 -3.347 94 HB2 LEU 11 2HB LEU 11 5.787 -8.711 -2.565 95 HB3 LEU 11 3HB LEU 11 6.537 -9.527 -3.936 96 HG LEU 11 HG LEU 11 3.750 -8.402 -4.064 97 HD11 LEU 11 1HD1 LEU 11 6.324 -7.002 -4.087 98 HD12 LEU 11 2HD1 LEU 11 4.695 -6.384 -3.819 99 HD13 LEU 11 3HD1 LEU 11 5.279 -6.645 -5.462 100 HD21 LEU 11 1HD2 LEU 11 4.919 -10.114 -5.734 101 HD22 LEU 11 2HD2 LEU 11 5.579 -8.614 -6.386 102 HD23 LEU 11 3HD2 LEU 11 3.832 -8.841 -6.290 103 H PHE 12 H PHE 12 4.193 -8.779 -1.452 104 HA PHE 12 HA PHE 12 4.515 -10.441 0.960 105 HB2 PHE 12 2HB PHE 12 4.692 -7.796 1.808 106 HB3 PHE 12 3HB PHE 12 6.027 -8.933 1.646 107 HD1 PHE 12 HD1 PHE 12 4.257 -6.130 0.084 108 HD2 PHE 12 HD2 PHE 12 7.582 -8.774 -0.170 109 HE1 PHE 12 HE1 PHE 12 5.271 -4.685 -1.630 110 HE2 PHE 12 HE2 PHE 12 8.602 -7.333 -1.884 111 HZ PHE 12 HZ PHE 12 7.446 -5.285 -2.616 112 H GLY 13 H GLY 13 2.333 -11.064 0.939 113 HA2 GLY 13 2HA GLY 13 0.270 -9.023 0.968 114 HA3 GLY 13 3HA GLY 13 0.024 -10.760 1.066 115 H LYS 14 H LYS 14 2.321 -10.322 3.261 116 HA LYS 14 HA LYS 14 0.452 -10.388 5.457 117 HB2 LYS 14 2HB LYS 14 3.474 -10.438 5.514 118 HB3 LYS 14 3HB LYS 14 2.400 -10.855 6.842 119 HG2 LYS 14 2HG LYS 14 1.915 -12.897 5.995 120 HG3 LYS 14 3HG LYS 14 2.045 -12.356 4.319 121 HD2 LYS 14 2HD LYS 14 4.574 -12.130 4.851 122 HD3 LYS 14 3HD LYS 14 4.210 -13.192 6.214 123 HE2 LYS 14 2HE LYS 14 3.213 -13.972 3.524 124 HE3 LYS 14 3HE LYS 14 4.938 -14.139 3.847 125 HZ1 LYS 14 1HZ LYS 14 2.759 -15.335 5.473 126 HZ2 LYS 14 2HZ LYS 14 4.416 -15.509 5.762 127 HZ3 LYS 14 3HZ LYS 14 3.728 -16.168 4.364 128 H GLY 15 H GLY 15 3.127 -8.277 4.431 129 HA2 GLY 15 2HA GLY 15 2.150 -6.255 6.345 130 HA3 GLY 15 3HA GLY 15 3.794 -6.341 5.730 131 H GLY 16 H GLY 16 0.811 -6.617 3.853 132 HA2 GLY 16 2HA GLY 16 1.601 -5.006 1.759 133 HA3 GLY 16 3HA GLY 16 -0.076 -5.278 2.209 Start of MODEL 19 1 H1 VAL 1 H VAL 1 0.756 -0.991 -0.692 2 HA VAL 1 HA VAL 1 2.470 0.009 -2.242 3 HB VAL 1 HB VAL 1 3.792 -2.185 -3.183 4 HG11 VAL 1 1HG1 VAL 1 5.663 -1.035 -2.600 5 HG12 VAL 1 2HG1 VAL 1 4.475 0.235 -2.301 6 HG13 VAL 1 3HG1 VAL 1 5.097 -0.726 -0.959 7 HG21 VAL 1 1HG2 VAL 1 3.963 -2.450 -0.197 8 HG22 VAL 1 2HG2 VAL 1 2.844 -3.419 -1.156 9 HG23 VAL 1 3HG2 VAL 1 4.581 -3.540 -1.437 10 H ALA 2 H ALA 2 2.035 -3.439 -2.921 11 HA ALA 2 HA ALA 2 0.795 -2.900 -5.432 12 HB1 ALA 2 1HB ALA 2 1.206 -5.055 -5.876 13 HB2 ALA 2 2HB ALA 2 2.127 -5.034 -4.372 14 HB3 ALA 2 3HB ALA 2 0.459 -5.607 -4.376 15 H ARG 3 H ARG 3 -1.167 -1.959 -5.396 16 HA ARG 3 HA ARG 3 -3.146 -1.775 -3.690 17 HB2 ARG 3 2HB ARG 3 -3.022 -1.680 -6.473 18 HB3 ARG 3 3HB ARG 3 -4.339 -2.795 -6.134 19 HG2 ARG 3 2HG ARG 3 -5.685 -1.173 -5.377 20 HG3 ARG 3 3HG ARG 3 -4.377 -0.342 -4.533 21 HD2 ARG 3 2HD ARG 3 -3.600 0.251 -6.963 22 HD3 ARG 3 3HD ARG 3 -5.285 -0.079 -7.363 23 HE ARG 3 HE ARG 3 -5.879 1.874 -6.325 24 HH11 ARG 3 1HH1 ARG 3 -2.625 1.035 -5.415 25 HH12 ARG 3 2HH1 ARG 3 -2.325 2.538 -4.607 26 HH21 ARG 3 1HH2 ARG 3 -5.496 3.857 -5.263 27 HH22 ARG 3 2HH2 ARG 3 -3.958 4.142 -4.520 28 H GLY 4 H GLY 4 -3.044 -4.654 -5.806 29 HA2 GLY 4 2HA GLY 4 -5.009 -6.069 -4.341 30 HA3 GLY 4 3HA GLY 4 -3.900 -6.766 -5.513 31 H TRP 5 H TRP 5 -4.454 -6.053 -2.147 32 HA TRP 5 HA TRP 5 -2.187 -7.808 -1.463 33 HB2 TRP 5 2HB TRP 5 -3.146 -5.274 -0.173 34 HB3 TRP 5 3HB TRP 5 -2.308 -6.490 0.788 35 HD1 TRP 5 HD1 TRP 5 -1.414 -3.413 -0.527 36 HE1 TRP 5 HE1 TRP 5 1.003 -3.301 -1.405 37 HE3 TRP 5 HE3 TRP 5 -0.479 -8.419 -0.972 38 HZ2 TRP 5 HZ2 TRP 5 3.036 -5.097 -2.184 39 HZ3 TRP 5 HZ3 TRP 5 1.727 -9.139 -1.792 40 HH2 TRP 5 HH2 TRP 5 3.446 -7.510 -2.385 41 H LYS 6 H LYS 6 -4.846 -6.452 0.460 42 HA LYS 6 HA LYS 6 -5.419 -8.302 2.222 43 HB2 LYS 6 2HB LYS 6 -6.864 -6.295 1.502 44 HB3 LYS 6 3HB LYS 6 -7.690 -7.435 0.447 45 HG2 LYS 6 2HG LYS 6 -8.948 -8.126 2.128 46 HG3 LYS 6 3HG LYS 6 -7.515 -8.555 3.065 47 HD2 LYS 6 2HD LYS 6 -7.497 -5.878 3.372 48 HD3 LYS 6 3HD LYS 6 -9.232 -6.157 3.205 49 HE2 LYS 6 2HE LYS 6 -9.199 -6.620 5.392 50 HE3 LYS 6 3HE LYS 6 -8.462 -8.152 4.925 51 HZ1 LYS 6 1HZ LYS 6 -7.364 -6.168 6.517 52 HZ2 LYS 6 2HZ LYS 6 -6.488 -6.138 5.071 53 HZ3 LYS 6 3HZ LYS 6 -6.606 -7.574 5.957 54 H ARG 7 H ARG 7 -7.105 -8.645 -0.900 55 HA ARG 7 HA ARG 7 -7.352 -11.501 -0.454 56 HB2 ARG 7 2HB ARG 7 -8.917 -9.593 -1.735 57 HB3 ARG 7 3HB ARG 7 -8.242 -10.543 -3.053 58 HG2 ARG 7 2HG ARG 7 -10.064 -11.810 -2.666 59 HG3 ARG 7 3HG ARG 7 -9.016 -12.533 -1.444 60 HD2 ARG 7 2HD ARG 7 -9.987 -11.194 0.280 61 HD3 ARG 7 3HD ARG 7 -10.880 -10.232 -0.897 62 HE ARG 7 HE ARG 7 -11.586 -12.968 -1.099 63 HH11 ARG 7 1HH1 ARG 7 -12.044 -10.148 0.892 64 HH12 ARG 7 2HH1 ARG 7 -13.587 -10.660 1.489 65 HH21 ARG 7 1HH2 ARG 7 -13.617 -13.653 -0.320 66 HH22 ARG 7 2HH2 ARG 7 -14.481 -12.654 0.800 67 H LYS 8 H LYS 8 -5.872 -9.332 -2.843 68 HA LYS 8 HA LYS 8 -4.664 -11.501 -4.295 69 HB2 LYS 8 2HB LYS 8 -4.974 -8.628 -4.616 70 HB3 LYS 8 3HB LYS 8 -3.348 -9.159 -5.027 71 HG2 LYS 8 2HG LYS 8 -5.917 -10.207 -6.197 72 HG3 LYS 8 3HG LYS 8 -4.754 -9.144 -6.992 73 HD2 LYS 8 2HD LYS 8 -4.362 -12.012 -6.156 74 HD3 LYS 8 3HD LYS 8 -4.360 -11.354 -7.794 75 HE2 LYS 8 2HE LYS 8 -2.401 -9.875 -6.682 76 HE3 LYS 8 3HE LYS 8 -2.241 -11.356 -5.739 77 HZ1 LYS 8 1HZ LYS 8 -2.417 -12.381 -8.168 78 HZ2 LYS 8 2HZ LYS 8 -0.942 -11.923 -7.478 79 HZ3 LYS 8 3HZ LYS 8 -1.723 -10.890 -8.566 80 H CYS 9 H CYS 9 -2.953 -12.576 -3.586 81 HA CYS 9 HA CYS 9 -0.961 -11.137 -1.961 82 HB2 CYS 9 2HB CYS 9 -1.396 -14.121 -1.931 83 HB3 CYS 9 3HB CYS 9 -0.498 -13.145 -0.775 84 HG CYS 9 HG CYS 9 -3.868 -13.497 -1.083 85 HA PRO 10 HA PRO 10 1.039 -12.416 -5.966 86 HB2 PRO 10 2HB PRO 10 2.218 -10.014 -6.426 87 HB3 PRO 10 3HB PRO 10 0.574 -10.393 -6.953 88 HG2 PRO 10 2HG PRO 10 1.486 -8.862 -4.548 89 HG3 PRO 10 3HG PRO 10 0.161 -8.499 -5.669 90 HD2 PRO 10 2HD PRO 10 -0.251 -9.635 -3.246 91 HD3 PRO 10 3HD PRO 10 -1.275 -9.988 -4.653 92 H LEU 11 H LEU 11 2.440 -10.182 -3.557 93 HA LEU 11 HA LEU 11 4.853 -11.874 -3.535 94 HB2 LEU 11 2HB LEU 11 5.431 -9.274 -2.544 95 HB3 LEU 11 3HB LEU 11 6.096 -10.093 -3.956 96 HG LEU 11 HG LEU 11 3.504 -8.574 -4.068 97 HD11 LEU 11 1HD1 LEU 11 4.740 -6.757 -3.575 98 HD12 LEU 11 2HD1 LEU 11 5.254 -6.911 -5.255 99 HD13 LEU 11 3HD1 LEU 11 6.265 -7.554 -3.961 100 HD21 LEU 11 1HD2 LEU 11 3.726 -8.703 -6.370 101 HD22 LEU 11 2HD2 LEU 11 4.315 -10.279 -5.841 102 HD23 LEU 11 3HD2 LEU 11 5.460 -9.014 -6.289 103 H PHE 12 H PHE 12 3.804 -9.190 -1.465 104 HA PHE 12 HA PHE 12 3.846 -11.050 0.821 105 HB2 PHE 12 2HB PHE 12 4.318 -8.491 1.840 106 HB3 PHE 12 3HB PHE 12 5.493 -9.791 1.668 107 HD1 PHE 12 HD1 PHE 12 4.071 -6.818 -0.004 108 HD2 PHE 12 HD2 PHE 12 7.254 -9.641 0.119 109 HE1 PHE 12 HE1 PHE 12 5.346 -5.445 -1.599 110 HE2 PHE 12 HE2 PHE 12 8.534 -8.273 -1.475 111 HZ PHE 12 HZ PHE 12 7.581 -6.172 -2.336 112 H GLY 13 H GLY 13 1.594 -11.386 0.663 113 HA2 GLY 13 2HA GLY 13 -0.187 -9.100 0.863 114 HA3 GLY 13 3HA GLY 13 -0.662 -10.789 0.759 115 H LYS 14 H LYS 14 1.724 -10.406 3.073 116 HA LYS 14 HA LYS 14 -0.083 -10.986 5.207 117 HB2 LYS 14 2HB LYS 14 1.940 -10.924 6.628 118 HB3 LYS 14 3HB LYS 14 2.145 -11.942 5.209 119 HG2 LYS 14 2HG LYS 14 3.344 -10.085 4.100 120 HG3 LYS 14 3HG LYS 14 3.217 -9.155 5.595 121 HD2 LYS 14 2HD LYS 14 5.198 -10.076 6.105 122 HD3 LYS 14 3HD LYS 14 4.258 -11.522 6.483 123 HE2 LYS 14 2HE LYS 14 4.539 -12.142 4.028 124 HE3 LYS 14 3HE LYS 14 5.759 -10.872 3.961 125 HZ1 LYS 14 1HZ LYS 14 6.267 -12.491 6.194 126 HZ2 LYS 14 2HZ LYS 14 7.223 -12.272 4.816 127 HZ3 LYS 14 3HZ LYS 14 6.060 -13.499 4.851 128 H GLY 15 H GLY 15 1.803 -8.149 4.243 129 HA2 GLY 15 2HA GLY 15 0.286 -6.588 6.243 130 HA3 GLY 15 3HA GLY 15 1.951 -6.231 5.810 131 H GLY 16 H GLY 16 1.597 -6.652 2.974 132 HA2 GLY 16 2HA GLY 16 1.159 -5.350 1.131 133 HA3 GLY 16 3HA GLY 16 -0.464 -5.238 1.794 Start of MODEL 20 1 H1 VAL 1 H VAL 1 0.845 0.225 -0.717 2 HA VAL 1 HA VAL 1 2.976 0.951 -1.911 3 HB VAL 1 HB VAL 1 4.717 -0.763 -2.037 4 HG11 VAL 1 1HG1 VAL 1 5.763 0.042 -0.223 5 HG12 VAL 1 2HG1 VAL 1 4.287 0.981 0.013 6 HG13 VAL 1 3HG1 VAL 1 4.514 -0.540 0.877 7 HG21 VAL 1 1HG2 VAL 1 3.184 -2.234 0.102 8 HG22 VAL 1 2HG2 VAL 1 3.206 -2.695 -1.600 9 HG23 VAL 1 3HG2 VAL 1 4.697 -2.729 -0.659 10 H ALA 2 H ALA 2 0.970 -1.877 -1.632 11 HA ALA 2 HA ALA 2 0.926 -2.085 -4.572 12 HB1 ALA 2 1HB ALA 2 1.985 -4.010 -3.108 13 HB2 ALA 2 2HB ALA 2 0.294 -4.479 -2.928 14 HB3 ALA 2 3HB ALA 2 1.011 -4.365 -4.535 15 H ARG 3 H ARG 3 -0.988 -1.610 -5.410 16 HA ARG 3 HA ARG 3 -3.241 -0.872 -4.035 17 HB2 ARG 3 2HB ARG 3 -4.386 -0.869 -6.079 18 HB3 ARG 3 3HB ARG 3 -2.704 -0.640 -6.536 19 HG2 ARG 3 2HG ARG 3 -2.718 -3.239 -6.782 20 HG3 ARG 3 3HG ARG 3 -4.464 -3.013 -6.910 21 HD2 ARG 3 2HD ARG 3 -2.525 -1.434 -8.574 22 HD3 ARG 3 3HD ARG 3 -3.109 -3.021 -9.077 23 HE ARG 3 HE ARG 3 -4.535 -0.558 -9.197 24 HH11 ARG 3 1HH1 ARG 3 -4.914 -3.986 -8.728 25 HH12 ARG 3 2HH1 ARG 3 -6.549 -4.016 -9.299 26 HH21 ARG 3 1HH2 ARG 3 -6.687 -0.583 -9.951 27 HH22 ARG 3 2HH2 ARG 3 -7.557 -2.080 -9.996 28 H GLY 4 H GLY 4 -2.213 -4.094 -4.929 29 HA2 GLY 4 2HA GLY 4 -4.644 -5.168 -3.636 30 HA3 GLY 4 3HA GLY 4 -3.801 -5.982 -4.945 31 H TRP 5 H TRP 5 -4.135 -5.704 -1.605 32 HA TRP 5 HA TRP 5 -1.713 -7.331 -1.200 33 HB2 TRP 5 2HB TRP 5 -2.760 -5.010 0.354 34 HB3 TRP 5 3HB TRP 5 -1.976 -6.314 1.241 35 HD1 TRP 5 HD1 TRP 5 -0.985 -3.142 0.369 36 HE1 TRP 5 HE1 TRP 5 1.466 -2.951 -0.390 37 HE3 TRP 5 HE3 TRP 5 -0.085 -8.057 -0.715 38 HZ2 TRP 5 HZ2 TRP 5 3.511 -4.657 -1.325 39 HZ3 TRP 5 HZ3 TRP 5 2.144 -8.694 -1.537 40 HH2 TRP 5 HH2 TRP 5 3.904 -7.028 -1.836 41 H LYS 6 H LYS 6 -4.315 -6.460 1.035 42 HA LYS 6 HA LYS 6 -4.686 -8.649 2.451 43 HB2 LYS 6 2HB LYS 6 -6.197 -6.602 2.355 44 HB3 LYS 6 3HB LYS 6 -7.083 -7.433 1.083 45 HG2 LYS 6 2HG LYS 6 -8.300 -8.419 2.642 46 HG3 LYS 6 3HG LYS 6 -6.853 -9.269 3.189 47 HD2 LYS 6 2HD LYS 6 -6.507 -6.836 4.347 48 HD3 LYS 6 3HD LYS 6 -8.266 -6.978 4.371 49 HE2 LYS 6 2HE LYS 6 -8.083 -9.133 5.500 50 HE3 LYS 6 3HE LYS 6 -6.325 -9.024 5.445 51 HZ1 LYS 6 1HZ LYS 6 -8.197 -7.735 7.228 52 HZ2 LYS 6 2HZ LYS 6 -6.983 -6.716 6.640 53 HZ3 LYS 6 3HZ LYS 6 -6.570 -8.132 7.468 54 H ARG 7 H ARG 7 -6.760 -8.419 -0.430 55 HA ARG 7 HA ARG 7 -7.066 -11.256 -0.562 56 HB2 ARG 7 2HB ARG 7 -7.835 -9.091 -2.528 57 HB3 ARG 7 3HB ARG 7 -8.317 -10.777 -2.654 58 HG2 ARG 7 2HG ARG 7 -8.940 -9.421 -0.107 59 HG3 ARG 7 3HG ARG 7 -9.839 -8.891 -1.530 60 HD2 ARG 7 2HD ARG 7 -9.604 -11.800 -1.245 61 HD3 ARG 7 3HD ARG 7 -10.511 -11.009 0.044 62 HE ARG 7 HE ARG 7 -11.562 -9.950 -2.222 63 HH11 ARG 7 1HH1 ARG 7 -11.038 -13.200 -1.089 64 HH12 ARG 7 2HH1 ARG 7 -12.399 -13.855 -1.938 65 HH21 ARG 7 1HH2 ARG 7 -13.357 -10.800 -3.345 66 HH22 ARG 7 2HH2 ARG 7 -13.717 -12.489 -3.222 67 H LYS 8 H LYS 8 -5.462 -8.873 -2.668 68 HA LYS 8 HA LYS 8 -4.226 -10.975 -4.229 69 HB2 LYS 8 2HB LYS 8 -4.559 -8.060 -4.446 70 HB3 LYS 8 3HB LYS 8 -3.019 -8.662 -5.045 71 HG2 LYS 8 2HG LYS 8 -4.228 -8.839 -6.950 72 HG3 LYS 8 3HG LYS 8 -4.607 -10.414 -6.249 73 HD2 LYS 8 2HD LYS 8 -6.462 -8.600 -5.165 74 HD3 LYS 8 3HD LYS 8 -6.367 -8.238 -6.890 75 HE2 LYS 8 2HE LYS 8 -6.673 -10.692 -7.319 76 HE3 LYS 8 3HE LYS 8 -6.997 -10.886 -5.597 77 HZ1 LYS 8 1HZ LYS 8 -9.065 -10.174 -5.873 78 HZ2 LYS 8 2HZ LYS 8 -8.822 -10.256 -7.545 79 HZ3 LYS 8 3HZ LYS 8 -8.570 -8.799 -6.724 80 H CYS 9 H CYS 9 -2.616 -12.044 -3.255 81 HA CYS 9 HA CYS 9 -0.551 -10.465 -1.869 82 HB2 CYS 9 2HB CYS 9 -0.015 -12.626 -0.680 83 HB3 CYS 9 3HB CYS 9 -1.579 -11.924 -0.284 84 HG CYS 9 HG CYS 9 -0.882 -14.912 -1.461 85 HA PRO 10 HA PRO 10 1.305 -12.366 -5.708 86 HB2 PRO 10 2HB PRO 10 2.452 -10.072 -6.598 87 HB3 PRO 10 3HB PRO 10 0.795 -10.537 -7.002 88 HG2 PRO 10 2HG PRO 10 1.770 -8.625 -4.915 89 HG3 PRO 10 3HG PRO 10 0.408 -8.457 -6.038 90 HD2 PRO 10 2HD PRO 10 0.081 -9.174 -3.448 91 HD3 PRO 10 3HD PRO 10 -0.984 -9.759 -4.743 92 H LEU 11 H LEU 11 2.613 -9.989 -3.422 93 HA LEU 11 HA LEU 11 5.164 -11.464 -3.470 94 HB2 LEU 11 2HB LEU 11 5.521 -8.849 -2.411 95 HB3 LEU 11 3HB LEU 11 6.245 -9.571 -3.847 96 HG LEU 11 HG LEU 11 3.542 -8.247 -3.876 97 HD11 LEU 11 1HD1 LEU 11 5.238 -6.522 -5.142 98 HD12 LEU 11 2HD1 LEU 11 6.207 -7.053 -3.769 99 HD13 LEU 11 3HD1 LEU 11 4.623 -6.326 -3.501 100 HD21 LEU 11 1HD2 LEU 11 5.353 -8.419 -6.218 101 HD22 LEU 11 2HD2 LEU 11 3.592 -8.495 -6.136 102 HD23 LEU 11 3HD2 LEU 11 4.558 -9.902 -5.690 103 H PHE 12 H PHE 12 4.034 -8.909 -1.301 104 HA PHE 12 HA PHE 12 4.165 -10.841 0.920 105 HB2 PHE 12 2HB PHE 12 4.620 -8.439 2.133 106 HB3 PHE 12 3HB PHE 12 5.883 -9.556 1.625 107 HD1 PHE 12 HD1 PHE 12 6.952 -9.220 -0.633 108 HD2 PHE 12 HD2 PHE 12 4.442 -6.306 1.191 109 HE1 PHE 12 HE1 PHE 12 7.883 -7.493 -2.118 110 HE2 PHE 12 HE2 PHE 12 5.368 -4.575 -0.291 111 HZ PHE 12 HZ PHE 12 7.090 -5.167 -1.949 112 H GLY 13 H GLY 13 1.866 -11.162 0.530 113 HA2 GLY 13 2HA GLY 13 0.103 -8.912 1.071 114 HA3 GLY 13 3HA GLY 13 -0.388 -10.545 0.645 115 H LYS 14 H LYS 14 1.873 -10.870 3.002 116 HA LYS 14 HA LYS 14 0.014 -11.727 4.948 117 HB2 LYS 14 2HB LYS 14 1.990 -11.948 6.425 118 HB3 LYS 14 3HB LYS 14 2.233 -12.690 4.849 119 HG2 LYS 14 2HG LYS 14 3.442 -10.615 4.151 120 HG3 LYS 14 3HG LYS 14 3.342 -10.072 5.828 121 HD2 LYS 14 2HD LYS 14 5.466 -11.081 5.599 122 HD3 LYS 14 3HD LYS 14 4.465 -12.254 6.458 123 HE2 LYS 14 2HE LYS 14 4.933 -13.762 4.897 124 HE3 LYS 14 3HE LYS 14 4.133 -12.746 3.699 125 HZ1 LYS 14 1HZ LYS 14 6.896 -12.118 4.455 126 HZ2 LYS 14 2HZ LYS 14 6.104 -11.881 2.980 127 HZ3 LYS 14 3HZ LYS 14 6.621 -13.430 3.422 128 H GLY 15 H GLY 15 1.927 -8.769 4.605 129 HA2 GLY 15 2HA GLY 15 0.353 -7.614 6.825 130 HA3 GLY 15 3HA GLY 15 2.030 -7.189 6.515 131 H GLY 16 H GLY 16 1.479 -7.233 3.559 132 HA2 GLY 16 2HA GLY 16 1.058 -5.638 1.959 133 HA3 GLY 16 3HA GLY 16 -0.484 -5.451 2.781
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