NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583798 | 2run | 11581 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H LEU 1 1.807 0.000 0.855 2 HA LEU 1 HA LEU 1 1.698 0.780 -1.875 3 HB2 LEU 1 2HB LEU 1 3.708 0.267 0.114 4 HB3 LEU 1 3HB LEU 1 4.153 -0.497 -1.411 5 HG LEU 1 HG LEU 1 3.491 2.427 -1.073 6 HD11 LEU 1 1HD1 LEU 1 5.722 1.235 -0.131 7 HD12 LEU 1 2HD1 LEU 1 5.665 2.889 -0.738 8 HD13 LEU 1 3HD1 LEU 1 6.215 1.584 -1.788 9 HD21 LEU 1 3HD2 LEU 1 4.605 0.876 -3.408 10 HD22 LEU 1 1HD2 LEU 1 4.420 2.629 -3.333 11 HD23 LEU 1 2HD2 LEU 1 2.995 1.590 -3.301 12 H GLY 2 H GLY 2 2.391 -2.329 -0.282 13 HA2 GLY 2 2HA GLY 2 1.447 -4.366 -1.178 14 HA3 GLY 2 3HA GLY 2 1.579 -3.663 -2.783 15 H LYS 3 H LYS 3 4.243 -3.150 -0.693 16 HA LYS 3 HA LYS 3 5.875 -4.908 -2.351 17 HB2 LYS 3 2HB LYS 3 6.290 -2.432 -0.947 18 HB3 LYS 3 3HB LYS 3 7.477 -3.617 -0.417 19 HG2 LYS 3 2HG LYS 3 8.582 -2.701 -2.184 20 HG3 LYS 3 3HG LYS 3 7.742 -4.021 -3.001 21 HD2 LYS 3 2HD LYS 3 5.866 -2.126 -3.213 22 HD3 LYS 3 3HD LYS 3 7.299 -1.096 -3.154 23 HE2 LYS 3 2HE LYS 3 8.173 -2.866 -4.928 24 HE3 LYS 3 3HE LYS 3 6.444 -3.063 -5.212 25 HZ1 LYS 3 3HZ LYS 3 8.176 -0.901 -5.945 26 HZ2 LYS 3 1HZ LYS 3 6.782 -0.368 -5.148 27 HZ3 LYS 3 2HZ LYS 3 6.649 -1.311 -6.546 28 H TYR 4 H TYR 4 4.891 -4.492 1.004 29 HA TYR 4 HA TYR 4 6.586 -6.538 2.041 30 HB2 TYR 4 2HB TYR 4 4.118 -5.942 3.533 31 HB3 TYR 4 3HB TYR 4 5.795 -5.908 4.067 32 HD1 TYR 4 HD1 TYR 4 7.162 -3.885 3.736 33 HD2 TYR 4 HD2 TYR 4 3.029 -3.961 2.727 34 HE1 TYR 4 HE1 TYR 4 7.142 -1.427 3.659 35 HE2 TYR 4 HE2 TYR 4 2.998 -1.503 2.646 36 HH TYR 4 HH TYR 4 5.854 0.400 3.509 37 H GLU 5 H GLU 5 3.064 -6.408 1.482 38 HA GLU 5 HA GLU 5 2.552 -9.096 2.073 39 HB2 GLU 5 2HB GLU 5 1.047 -7.295 0.167 40 HB3 GLU 5 3HB GLU 5 0.434 -8.778 0.885 41 HG2 GLU 5 2HG GLU 5 0.984 -7.557 3.133 42 HG3 GLU 5 3HG GLU 5 0.880 -6.112 2.128 43 H GLN 6 H GLN 6 4.348 -7.837 -0.426 44 HA GLN 6 HA GLN 6 3.667 -9.931 -2.341 45 HB2 GLN 6 2HB GLN 6 4.986 -7.320 -2.462 46 HB3 GLN 6 3HB GLN 6 5.802 -8.558 -3.408 47 HG2 GLN 6 2HG GLN 6 3.592 -9.058 -4.479 48 HG3 GLN 6 3HG GLN 6 2.956 -7.629 -3.666 49 HE21 GLN 6 1HE2 GLN 6 2.715 -6.104 -5.135 50 HE22 GLN 6 2HE2 GLN 6 3.884 -5.642 -6.320 51 H TYR 7 H TYR 7 6.275 -8.934 -0.210 52 HA TYR 7 HA TYR 7 7.877 -11.240 -1.050 53 HB2 TYR 7 2HB TYR 7 9.747 -10.145 -0.270 54 HB3 TYR 7 3HB TYR 7 8.745 -8.769 -0.717 55 HD1 TYR 7 HD1 TYR 7 9.596 -10.926 2.203 56 HD2 TYR 7 HD2 TYR 7 8.321 -7.101 0.846 57 HE1 TYR 7 HE1 TYR 7 9.776 -10.059 4.498 58 HE2 TYR 7 HE2 TYR 7 8.500 -6.222 3.136 59 HH TYR 7 HH TYR 7 9.508 -8.308 5.831 60 H ILE 8 H ILE 8 5.880 -10.099 1.505 61 HA ILE 8 HA ILE 8 6.920 -11.977 3.459 62 HB ILE 8 HB ILE 8 5.976 -9.642 3.985 63 HG12 ILE 8 2HG1 ILE 8 4.570 -11.053 5.950 64 HG13 ILE 8 3HG1 ILE 8 5.828 -12.161 5.414 65 HG21 ILE 8 1HG2 ILE 8 3.794 -10.490 2.657 66 HG22 ILE 8 2HG2 ILE 8 3.321 -10.880 4.310 67 HG23 ILE 8 3HG2 ILE 8 3.760 -9.226 3.886 68 HD11 ILE 8 3HD1 ILE 8 6.655 -9.381 5.963 69 HD12 ILE 8 1HD1 ILE 8 6.192 -10.370 7.348 70 HD13 ILE 8 2HD1 ILE 8 7.490 -10.902 6.278 71 H LYS 9 H LYS 9 4.691 -12.019 0.928 72 HA LYS 9 HA LYS 9 2.788 -13.841 2.040 73 HB2 LYS 9 2HB LYS 9 2.081 -14.129 -0.348 74 HB3 LYS 9 3HB LYS 9 2.082 -12.463 0.215 75 HG2 LYS 9 2HG LYS 9 3.850 -11.868 -1.109 76 HG3 LYS 9 3HG LYS 9 4.507 -13.506 -1.157 77 HD2 LYS 9 2HD LYS 9 2.573 -14.172 -2.575 78 HD3 LYS 9 3HD LYS 9 2.071 -12.481 -2.612 79 HE2 LYS 9 2HE LYS 9 3.354 -13.149 -4.614 80 HE3 LYS 9 3HE LYS 9 4.127 -11.850 -3.705 81 HZ1 LYS 9 3HZ LYS 9 5.907 -13.105 -3.328 82 HZ2 LYS 9 1HZ LYS 9 5.309 -14.171 -4.497 83 HZ3 LYS 9 2HZ LYS 9 4.987 -14.446 -2.860 84 H TRP 10 H TRP 10 5.967 -14.208 1.120 85 HA TRP 10 HA TRP 10 5.832 -16.800 -0.080 86 HB2 TRP 10 2HB TRP 10 7.990 -14.996 0.896 87 HB3 TRP 10 3HB TRP 10 8.370 -16.709 0.750 88 HD1 TRP 10 HD1 TRP 10 8.117 -13.590 -1.263 89 HE1 TRP 10 HE1 TRP 10 8.456 -14.116 -3.760 90 HE3 TRP 10 HE3 TRP 10 7.766 -18.687 -1.075 91 HZ2 TRP 10 HZ2 TRP 10 8.560 -16.390 -5.429 92 HZ3 TRP 10 HZ3 TRP 10 7.996 -19.963 -3.166 93 HH2 TRP 10 HH2 TRP 10 8.384 -18.836 -5.297 94 HA PRO 11 HA PRO 11 7.251 -18.328 4.275 95 HB2 PRO 11 2HB PRO 11 7.183 -16.535 6.313 96 HB3 PRO 11 3HB PRO 11 8.603 -16.769 5.286 97 HG2 PRO 11 2HG PRO 11 6.490 -14.653 5.144 98 HG3 PRO 11 3HG PRO 11 8.248 -14.492 4.974 99 HD2 PRO 11 2HD PRO 11 6.578 -14.547 2.844 100 HD3 PRO 11 3HD PRO 11 8.227 -15.200 2.781 101 H TRP 12 H TRP 12 4.694 -15.924 4.100 102 HA TRP 12 HA TRP 12 3.111 -17.053 6.196 103 HB2 TRP 12 2HB TRP 12 2.325 -14.954 5.966 104 HB3 TRP 12 3HB TRP 12 2.905 -14.826 4.308 105 HD1 TRP 12 HD1 TRP 12 1.151 -15.082 2.403 106 HE1 TRP 12 HE1 TRP 12 -1.389 -15.490 2.343 107 HE3 TRP 12 HE3 TRP 12 0.403 -16.266 7.320 108 HZ2 TRP 12 HZ2 TRP 12 -3.439 -16.218 4.142 109 HZ3 TRP 12 HZ3 TRP 12 -1.878 -16.805 8.069 110 HH2 TRP 12 HH2 TRP 12 -3.758 -16.780 6.511 111 H TYR 13 H TYR 13 3.612 -17.794 2.889 112 HA TYR 13 HA TYR 13 1.107 -19.001 2.320 113 HB2 TYR 13 2HB TYR 13 3.793 -18.936 1.054 114 HB3 TYR 13 3HB TYR 13 2.741 -20.276 0.612 115 HD1 TYR 13 HD2 TYR 13 0.903 -17.359 1.497 116 HD2 TYR 13 HD1 TYR 13 3.028 -19.186 -1.704 117 HE1 TYR 13 HE2 TYR 13 -0.272 -15.907 -0.103 118 HE2 TYR 13 HE1 TYR 13 1.860 -17.738 -3.314 119 HH TYR 13 HH TYR 13 0.201 -15.004 -2.459 120 H VAL 14 H VAL 14 4.219 -20.285 3.437 121 HA VAL 14 HA VAL 14 3.878 -22.960 3.381 122 HB VAL 14 HB VAL 14 5.263 -23.178 5.333 123 HG11 VAL 14 1HG1 VAL 14 6.108 -20.625 3.982 124 HG12 VAL 14 2HG1 VAL 14 7.136 -21.878 4.680 125 HG13 VAL 14 3HG1 VAL 14 6.217 -22.207 3.211 126 HG21 VAL 14 3HG2 VAL 14 4.602 -21.910 7.075 127 HG22 VAL 14 1HG2 VAL 14 5.761 -20.752 6.422 128 HG23 VAL 14 2HG2 VAL 14 4.046 -20.594 6.041 129 H TRP 15 H TRP 15 2.214 -20.723 5.500 130 HA TRP 15 HA TRP 15 0.947 -22.883 6.981 131 HB2 TRP 15 2HB TRP 15 1.453 -21.106 8.407 132 HB3 TRP 15 3HB TRP 15 0.975 -19.892 7.223 133 HD1 TRP 15 HD1 TRP 15 -0.934 -18.621 8.388 134 HE1 TRP 15 HE1 TRP 15 -3.169 -19.279 9.481 135 HE3 TRP 15 HE3 TRP 15 -0.427 -23.706 8.271 136 HZ2 TRP 15 HZ2 TRP 15 -4.536 -21.642 10.199 137 HZ3 TRP 15 HZ3 TRP 15 -2.244 -25.094 9.182 138 HH2 TRP 15 HH2 TRP 15 -4.255 -24.081 10.126 139 H LEU 16 H LEU 16 -0.118 -20.114 5.002 140 HA LEU 16 HA LEU 16 -2.455 -21.709 4.199 141 HB2 LEU 16 2HB LEU 16 -3.178 -20.075 5.839 142 HB3 LEU 16 3HB LEU 16 -2.416 -18.781 4.916 143 HG LEU 16 HG LEU 16 -4.982 -19.095 4.792 144 HD11 LEU 16 1HD1 LEU 16 -3.053 -18.065 3.043 145 HD12 LEU 16 2HD1 LEU 16 -4.767 -17.661 3.115 146 HD13 LEU 16 3HD1 LEU 16 -4.207 -18.937 2.034 147 HD21 LEU 16 3HD2 LEU 16 -4.377 -20.954 2.548 148 HD22 LEU 16 1HD2 LEU 16 -5.863 -20.742 3.473 149 HD23 LEU 16 2HD2 LEU 16 -4.501 -21.610 4.181 150 H GLY 17 H GLY 17 -2.380 -22.058 2.085 151 HA2 GLY 17 2HA GLY 17 -2.584 -21.159 -0.142 152 HA3 GLY 17 3HA GLY 17 -1.504 -19.856 0.334 153 H PHE 18 H PHE 18 -0.032 -22.297 1.734 154 HA PHE 18 HA PHE 18 2.138 -22.441 0.053 155 HB2 PHE 18 2HB PHE 18 2.717 -24.561 1.247 156 HB3 PHE 18 3HB PHE 18 2.292 -23.234 2.323 157 HD1 PHE 18 HD1 PHE 18 0.189 -23.255 3.554 158 HD2 PHE 18 HD2 PHE 18 1.340 -26.514 1.071 159 HE1 PHE 18 HE1 PHE 18 -1.508 -24.672 4.634 160 HE2 PHE 18 HE2 PHE 18 -0.355 -27.937 2.146 161 HZ PHE 18 HZ PHE 18 -1.782 -27.016 3.929 Start of MODEL 2 1 H1 LEU 1 H LEU 1 3.801 -0.063 -0.539 2 HA LEU 1 HA LEU 1 0.859 -0.007 -0.643 3 HB2 LEU 1 2HB LEU 1 2.799 0.989 -2.721 4 HB3 LEU 1 3HB LEU 1 1.048 1.186 -2.727 5 HG LEU 1 HG LEU 1 2.396 2.322 -0.379 6 HD11 LEU 1 1HD1 LEU 1 3.175 4.309 -1.629 7 HD12 LEU 1 2HD1 LEU 1 2.893 3.436 -3.134 8 HD13 LEU 1 3HD1 LEU 1 4.101 2.852 -1.990 9 HD21 LEU 1 3HD2 LEU 1 0.675 3.797 -0.454 10 HD22 LEU 1 1HD2 LEU 1 -0.061 2.507 -1.405 11 HD23 LEU 1 2HD2 LEU 1 0.680 3.887 -2.216 12 H GLY 2 H GLY 2 2.037 -2.476 -0.389 13 HA2 GLY 2 2HA GLY 2 1.262 -4.455 -1.531 14 HA3 GLY 2 3HA GLY 2 1.517 -3.619 -3.055 15 H LYS 3 H LYS 3 3.962 -3.211 -0.692 16 HA LYS 3 HA LYS 3 5.772 -4.846 -2.304 17 HB2 LYS 3 2HB LYS 3 6.011 -2.386 -0.835 18 HB3 LYS 3 3HB LYS 3 7.195 -3.543 -0.242 19 HG2 LYS 3 2HG LYS 3 6.841 -2.811 -3.140 20 HG3 LYS 3 3HG LYS 3 8.032 -2.083 -2.059 21 HD2 LYS 3 2HD LYS 3 7.913 -5.056 -2.362 22 HD3 LYS 3 3HD LYS 3 8.714 -4.078 -3.594 23 HE2 LYS 3 2HE LYS 3 10.322 -3.294 -2.089 24 HE3 LYS 3 3HE LYS 3 9.361 -3.752 -0.684 25 HZ1 LYS 3 3HZ LYS 3 9.754 -6.073 -1.209 26 HZ2 LYS 3 1HZ LYS 3 11.224 -5.255 -1.022 27 HZ3 LYS 3 2HZ LYS 3 10.662 -5.642 -2.569 28 H TYR 4 H TYR 4 4.543 -4.531 0.979 29 HA TYR 4 HA TYR 4 6.230 -6.546 2.092 30 HB2 TYR 4 2HB TYR 4 3.654 -6.045 3.428 31 HB3 TYR 4 3HB TYR 4 5.291 -5.979 4.072 32 HD1 TYR 4 HD1 TYR 4 6.620 -3.916 3.876 33 HD2 TYR 4 HD2 TYR 4 2.571 -4.076 2.581 34 HE1 TYR 4 HE1 TYR 4 6.540 -1.458 3.843 35 HE2 TYR 4 HE2 TYR 4 2.480 -1.619 2.543 36 HH TYR 4 HH TYR 4 4.332 0.313 4.066 37 H GLU 5 H GLU 5 2.774 -6.493 1.222 38 HA GLU 5 HA GLU 5 2.276 -9.201 1.764 39 HB2 GLU 5 2HB GLU 5 0.879 -7.467 -0.280 40 HB3 GLU 5 3HB GLU 5 0.241 -8.924 0.470 41 HG2 GLU 5 2HG GLU 5 0.890 -7.308 2.614 42 HG3 GLU 5 3HG GLU 5 0.234 -6.190 1.419 43 H GLN 6 H GLN 6 4.238 -7.871 -0.569 44 HA GLN 6 HA GLN 6 3.771 -9.964 -2.548 45 HB2 GLN 6 2HB GLN 6 4.219 -7.478 -3.088 46 HB3 GLN 6 3HB GLN 6 5.899 -7.847 -2.720 47 HG2 GLN 6 2HG GLN 6 6.213 -8.768 -4.708 48 HG3 GLN 6 3HG GLN 6 4.793 -9.797 -4.526 49 HE21 GLN 6 1HE2 GLN 6 5.863 -6.579 -5.463 50 HE22 GLN 6 2HE2 GLN 6 4.553 -6.257 -6.543 51 H TYR 7 H TYR 7 6.175 -8.907 -0.213 52 HA TYR 7 HA TYR 7 7.900 -11.165 -0.933 53 HB2 TYR 7 2HB TYR 7 9.675 -10.018 -0.023 54 HB3 TYR 7 3HB TYR 7 8.666 -8.667 -0.527 55 HD1 TYR 7 HD2 TYR 7 9.408 -10.820 2.423 56 HD2 TYR 7 HD1 TYR 7 8.059 -7.036 1.020 57 HE1 TYR 7 HE2 TYR 7 9.404 -9.972 4.732 58 HE2 TYR 7 HE1 TYR 7 8.052 -6.177 3.325 59 HH TYR 7 HH TYR 7 9.600 -7.215 5.678 60 H ILE 8 H ILE 8 5.662 -10.110 1.442 61 HA ILE 8 HA ILE 8 6.610 -11.944 3.483 62 HB ILE 8 HB ILE 8 5.501 -9.632 3.881 63 HG12 ILE 8 2HG1 ILE 8 4.182 -10.861 5.896 64 HG13 ILE 8 3HG1 ILE 8 5.216 -12.182 5.361 65 HG21 ILE 8 1HG2 ILE 8 3.476 -10.563 2.452 66 HG22 ILE 8 2HG2 ILE 8 2.946 -11.134 4.034 67 HG23 ILE 8 3HG2 ILE 8 3.235 -9.415 3.769 68 HD11 ILE 8 3HD1 ILE 8 7.167 -11.009 5.872 69 HD12 ILE 8 1HD1 ILE 8 6.322 -9.464 5.962 70 HD13 ILE 8 2HD1 ILE 8 6.080 -10.677 7.219 71 H LYS 9 H LYS 9 4.537 -12.025 0.801 72 HA LYS 9 HA LYS 9 2.711 -14.009 1.793 73 HB2 LYS 9 2HB LYS 9 1.967 -14.153 -0.565 74 HB3 LYS 9 3HB LYS 9 1.978 -12.504 0.045 75 HG2 LYS 9 2HG LYS 9 4.058 -12.057 -1.111 76 HG3 LYS 9 3HG LYS 9 4.128 -13.730 -1.670 77 HD2 LYS 9 2HD LYS 9 1.738 -12.040 -2.287 78 HD3 LYS 9 3HD LYS 9 3.208 -11.879 -3.251 79 HE2 LYS 9 2HE LYS 9 2.268 -13.525 -4.472 80 HE3 LYS 9 3HE LYS 9 2.949 -14.561 -3.219 81 HZ1 LYS 9 3HZ LYS 9 0.196 -13.459 -3.122 82 HZ2 LYS 9 1HZ LYS 9 0.865 -14.637 -2.108 83 HZ3 LYS 9 2HZ LYS 9 0.572 -14.990 -3.736 84 H TRP 10 H TRP 10 5.908 -14.111 0.895 85 HA TRP 10 HA TRP 10 5.998 -16.563 -0.540 86 HB2 TRP 10 2HB TRP 10 7.975 -14.780 0.785 87 HB3 TRP 10 3HB TRP 10 8.462 -16.450 0.507 88 HD1 TRP 10 HD1 TRP 10 8.242 -13.162 -1.198 89 HE1 TRP 10 HE1 TRP 10 8.780 -13.415 -3.702 90 HE3 TRP 10 HE3 TRP 10 8.038 -18.258 -1.561 91 HZ2 TRP 10 HZ2 TRP 10 9.078 -15.499 -5.582 92 HZ3 TRP 10 HZ3 TRP 10 8.461 -19.302 -3.748 93 HH2 TRP 10 HH2 TRP 10 8.970 -17.950 -5.716 94 HA PRO 11 HA PRO 11 7.169 -18.512 3.724 95 HB2 PRO 11 2HB PRO 11 6.798 -16.980 5.935 96 HB3 PRO 11 3HB PRO 11 8.313 -17.002 5.025 97 HG2 PRO 11 2HG PRO 11 6.072 -15.020 4.925 98 HG3 PRO 11 3HG PRO 11 7.821 -14.731 4.940 99 HD2 PRO 11 2HD PRO 11 6.348 -14.637 2.670 100 HD3 PRO 11 3HD PRO 11 8.040 -15.174 2.688 101 H TRP 12 H TRP 12 4.548 -16.122 3.988 102 HA TRP 12 HA TRP 12 2.850 -17.443 5.704 103 HB2 TRP 12 2HB TRP 12 2.140 -15.766 3.288 104 HB3 TRP 12 3HB TRP 12 1.000 -16.234 4.547 105 HD1 TRP 12 HD1 TRP 12 1.317 -13.221 4.177 106 HE1 TRP 12 HE1 TRP 12 2.439 -11.734 5.953 107 HE3 TRP 12 HE3 TRP 12 4.048 -16.789 6.615 108 HZ2 TRP 12 HZ2 TRP 12 4.243 -12.034 8.103 109 HZ3 TRP 12 HZ3 TRP 12 5.446 -16.106 8.521 110 HH2 TRP 12 HH2 TRP 12 5.541 -13.777 9.248 111 H TYR 13 H TYR 13 3.463 -18.073 2.316 112 HA TYR 13 HA TYR 13 1.350 -19.561 1.496 113 HB2 TYR 13 2HB TYR 13 4.220 -19.549 0.903 114 HB3 TYR 13 3HB TYR 13 3.444 -21.095 0.579 115 HD1 TYR 13 HD1 TYR 13 1.968 -17.702 0.238 116 HD2 TYR 13 HD2 TYR 13 3.417 -21.165 -1.765 117 HE1 TYR 13 HE1 TYR 13 1.113 -16.820 -1.893 118 HE2 TYR 13 HE2 TYR 13 2.566 -20.293 -3.901 119 HH TYR 13 HH TYR 13 1.585 -18.591 -4.936 120 H VAL 14 H VAL 14 4.162 -20.932 3.215 121 HA VAL 14 HA VAL 14 3.439 -23.518 3.511 122 HB VAL 14 HB VAL 14 4.658 -23.609 5.598 123 HG11 VAL 14 1HG1 VAL 14 5.891 -23.271 3.461 124 HG12 VAL 14 2HG1 VAL 14 5.948 -21.544 3.821 125 HG13 VAL 14 3HG1 VAL 14 6.756 -22.695 4.885 126 HG21 VAL 14 3HG2 VAL 14 4.209 -21.960 7.052 127 HG22 VAL 14 1HG2 VAL 14 5.503 -21.091 6.227 128 HG23 VAL 14 2HG2 VAL 14 3.822 -20.809 5.774 129 H TRP 15 H TRP 15 2.049 -20.779 5.207 130 HA TRP 15 HA TRP 15 0.398 -22.498 6.872 131 HB2 TRP 15 2HB TRP 15 1.212 -20.562 7.990 132 HB3 TRP 15 3HB TRP 15 0.722 -19.505 6.668 133 HD1 TRP 15 HD1 TRP 15 -1.293 -18.096 7.332 134 HE1 TRP 15 HE1 TRP 15 -3.399 -18.432 8.773 135 HE3 TRP 15 HE3 TRP 15 -0.462 -22.898 8.878 136 HZ2 TRP 15 HZ2 TRP 15 -4.555 -20.463 10.357 137 HZ3 TRP 15 HZ3 TRP 15 -2.115 -23.964 10.355 138 HH2 TRP 15 HH2 TRP 15 -4.118 -22.770 11.079 139 H LEU 16 H LEU 16 -0.153 -19.912 4.477 140 HA LEU 16 HA LEU 16 -2.677 -21.248 3.763 141 HB2 LEU 16 2HB LEU 16 -3.436 -19.387 4.928 142 HB3 LEU 16 3HB LEU 16 -2.143 -18.358 4.317 143 HG LEU 16 HG LEU 16 -4.018 -19.351 2.277 144 HD11 LEU 16 1HD1 LEU 16 -5.898 -18.193 2.899 145 HD12 LEU 16 2HD1 LEU 16 -5.014 -17.120 3.983 146 HD13 LEU 16 3HD1 LEU 16 -5.339 -18.785 4.464 147 HD21 LEU 16 3HD2 LEU 16 -2.492 -16.881 2.932 148 HD22 LEU 16 1HD2 LEU 16 -3.910 -16.749 1.891 149 HD23 LEU 16 2HD2 LEU 16 -2.570 -17.798 1.427 150 H GLY 17 H GLY 17 -2.651 -21.900 1.721 151 HA2 GLY 17 2HA GLY 17 -2.583 -21.419 -0.617 152 HA3 GLY 17 3HA GLY 17 -1.371 -20.187 -0.295 153 H PHE 18 H PHE 18 -0.350 -22.583 1.577 154 HA PHE 18 HA PHE 18 1.905 -23.230 0.152 155 HB2 PHE 18 2HB PHE 18 2.031 -25.275 1.620 156 HB3 PHE 18 3HB PHE 18 1.794 -23.758 2.482 157 HD1 PHE 18 HD2 PHE 18 -0.330 -23.253 3.551 158 HD2 PHE 18 HD1 PHE 18 0.319 -26.957 1.557 159 HE1 PHE 18 HE2 PHE 18 -2.316 -24.193 4.658 160 HE2 PHE 18 HE1 PHE 18 -1.667 -27.902 2.660 161 HZ PHE 18 HZ PHE 18 -2.987 -26.521 4.214 Start of MODEL 3 1 H1 LEU 1 H LEU 1 0.753 0.332 0.425 2 HA LEU 1 HA LEU 1 1.546 0.755 -2.104 3 HB2 LEU 1 2HB LEU 1 2.890 -0.093 0.340 4 HB3 LEU 1 3HB LEU 1 3.743 -0.582 -1.123 5 HG LEU 1 HG LEU 1 3.387 1.960 -1.757 6 HD11 LEU 1 1HD1 LEU 1 3.433 3.440 0.105 7 HD12 LEU 1 2HD1 LEU 1 3.533 2.100 1.246 8 HD13 LEU 1 3HD1 LEU 1 2.053 2.363 0.323 9 HD21 LEU 1 3HD2 LEU 1 5.531 1.917 0.151 10 HD22 LEU 1 1HD2 LEU 1 5.601 1.926 -1.611 11 HD23 LEU 1 2HD2 LEU 1 5.480 0.396 -0.742 12 H GLY 2 H GLY 2 1.458 -2.436 -0.546 13 HA2 GLY 2 2HA GLY 2 0.951 -4.461 -1.615 14 HA3 GLY 2 3HA GLY 2 1.161 -3.668 -3.169 15 H LYS 3 H LYS 3 3.641 -3.143 -0.867 16 HA LYS 3 HA LYS 3 5.458 -4.774 -2.471 17 HB2 LYS 3 2HB LYS 3 5.669 -2.295 -1.030 18 HB3 LYS 3 3HB LYS 3 6.880 -3.424 -0.437 19 HG2 LYS 3 2HG LYS 3 6.493 -2.824 -3.356 20 HG3 LYS 3 3HG LYS 3 7.600 -1.922 -2.319 21 HD2 LYS 3 2HD LYS 3 7.748 -4.909 -2.449 22 HD3 LYS 3 3HD LYS 3 8.495 -3.926 -3.710 23 HE2 LYS 3 2HE LYS 3 9.120 -2.978 -1.034 24 HE3 LYS 3 3HE LYS 3 9.634 -4.643 -1.296 25 HZ1 LYS 3 3HZ LYS 3 10.577 -3.668 -3.491 26 HZ2 LYS 3 1HZ LYS 3 11.436 -3.469 -2.047 27 HZ3 LYS 3 2HZ LYS 3 10.510 -2.195 -2.663 28 H TYR 4 H TYR 4 4.261 -4.449 0.822 29 HA TYR 4 HA TYR 4 5.998 -6.422 1.935 30 HB2 TYR 4 2HB TYR 4 3.428 -5.954 3.296 31 HB3 TYR 4 3HB TYR 4 5.071 -5.853 3.921 32 HD1 TYR 4 HD2 TYR 4 6.361 -3.768 3.686 33 HD2 TYR 4 HD1 TYR 4 2.300 -4.014 2.443 34 HE1 TYR 4 HE2 TYR 4 6.235 -1.312 3.631 35 HE2 TYR 4 HE1 TYR 4 2.163 -1.559 2.383 36 HH TYR 4 HH TYR 4 3.349 0.378 3.467 37 H GLU 5 H GLU 5 2.532 -6.440 1.103 38 HA GLU 5 HA GLU 5 2.089 -9.151 1.677 39 HB2 GLU 5 2HB GLU 5 0.647 -7.420 -0.339 40 HB3 GLU 5 3HB GLU 5 0.047 -8.922 0.351 41 HG2 GLU 5 2HG GLU 5 0.028 -7.886 2.570 42 HG3 GLU 5 3HG GLU 5 0.600 -6.377 1.861 43 H GLN 6 H GLN 6 4.001 -7.809 -0.689 44 HA GLN 6 HA GLN 6 3.552 -9.931 -2.642 45 HB2 GLN 6 2HB GLN 6 4.620 -7.243 -2.718 46 HB3 GLN 6 3HB GLN 6 5.735 -8.382 -3.463 47 HG2 GLN 6 2HG GLN 6 2.821 -8.215 -4.180 48 HG3 GLN 6 3HG GLN 6 4.082 -7.302 -5.007 49 HE21 GLN 6 1HE2 GLN 6 2.356 -10.158 -4.928 50 HE22 GLN 6 2HE2 GLN 6 3.334 -11.089 -6.005 51 H TYR 7 H TYR 7 5.961 -8.806 -0.345 52 HA TYR 7 HA TYR 7 7.719 -11.040 -1.061 53 HB2 TYR 7 2HB TYR 7 9.483 -9.851 -0.184 54 HB3 TYR 7 3HB TYR 7 8.444 -8.524 -0.689 55 HD1 TYR 7 HD2 TYR 7 9.260 -10.632 2.273 56 HD2 TYR 7 HD1 TYR 7 7.823 -6.889 0.848 57 HE1 TYR 7 HE2 TYR 7 9.267 -9.760 4.573 58 HE2 TYR 7 HE1 TYR 7 7.827 -6.007 3.144 59 HH TYR 7 HH TYR 7 9.372 -6.867 5.442 60 H ILE 8 H ILE 8 5.487 -10.002 1.326 61 HA ILE 8 HA ILE 8 6.492 -11.795 3.377 62 HB ILE 8 HB ILE 8 5.343 -9.499 3.761 63 HG12 ILE 8 2HG1 ILE 8 4.072 -10.733 5.805 64 HG13 ILE 8 3HG1 ILE 8 5.127 -12.037 5.273 65 HG21 ILE 8 1HG2 ILE 8 3.321 -10.483 2.367 66 HG22 ILE 8 2HG2 ILE 8 2.821 -11.053 3.958 67 HG23 ILE 8 3HG2 ILE 8 3.071 -9.330 3.677 68 HD11 ILE 8 3HD1 ILE 8 7.012 -10.967 5.939 69 HD12 ILE 8 1HD1 ILE 8 6.337 -9.362 5.655 70 HD13 ILE 8 2HD1 ILE 8 5.870 -10.275 7.091 71 H LYS 9 H LYS 9 4.389 -11.942 0.720 72 HA LYS 9 HA LYS 9 2.614 -13.951 1.753 73 HB2 LYS 9 2HB LYS 9 1.842 -14.131 -0.592 74 HB3 LYS 9 3HB LYS 9 1.833 -12.475 0.000 75 HG2 LYS 9 2HG LYS 9 3.741 -11.907 -1.260 76 HG3 LYS 9 3HG LYS 9 4.105 -13.599 -1.611 77 HD2 LYS 9 2HD LYS 9 1.510 -13.206 -2.555 78 HD3 LYS 9 3HD LYS 9 2.392 -11.751 -3.025 79 HE2 LYS 9 2HE LYS 9 2.706 -13.228 -4.813 80 HE3 LYS 9 3HE LYS 9 4.200 -13.339 -3.883 81 HZ1 LYS 9 3HZ LYS 9 2.693 -15.263 -2.764 82 HZ2 LYS 9 1HZ LYS 9 3.823 -15.526 -3.996 83 HZ3 LYS 9 2HZ LYS 9 2.185 -15.345 -4.376 84 H TRP 10 H TRP 10 5.801 -14.000 0.816 85 HA TRP 10 HA TRP 10 5.921 -16.464 -0.596 86 HB2 TRP 10 2HB TRP 10 7.879 -14.631 0.688 87 HB3 TRP 10 3HB TRP 10 8.394 -16.293 0.418 88 HD1 TRP 10 HD1 TRP 10 8.088 -13.027 -1.313 89 HE1 TRP 10 HE1 TRP 10 8.601 -13.293 -3.822 90 HE3 TRP 10 HE3 TRP 10 7.982 -18.128 -1.626 91 HZ2 TRP 10 HZ2 TRP 10 8.918 -15.388 -5.686 92 HZ3 TRP 10 HZ3 TRP 10 8.400 -19.185 -3.809 93 HH2 TRP 10 HH2 TRP 10 8.857 -17.842 -5.796 94 HA PRO 11 HA PRO 11 7.182 -18.348 3.672 95 HB2 PRO 11 2HB PRO 11 6.808 -16.803 5.872 96 HB3 PRO 11 3HB PRO 11 8.312 -16.804 4.943 97 HG2 PRO 11 2HG PRO 11 6.032 -14.867 4.853 98 HG3 PRO 11 3HG PRO 11 7.776 -14.544 4.843 99 HD2 PRO 11 2HD PRO 11 6.273 -14.501 2.591 100 HD3 PRO 11 3HD PRO 11 7.975 -15.005 2.593 101 H TRP 12 H TRP 12 4.518 -16.007 3.944 102 HA TRP 12 HA TRP 12 2.867 -17.343 5.694 103 HB2 TRP 12 2HB TRP 12 2.095 -15.705 3.271 104 HB3 TRP 12 3HB TRP 12 0.980 -16.182 4.548 105 HD1 TRP 12 HD1 TRP 12 1.233 -13.167 4.145 106 HE1 TRP 12 HE1 TRP 12 2.348 -11.640 5.892 107 HE3 TRP 12 HE3 TRP 12 4.064 -16.656 6.584 108 HZ2 TRP 12 HZ2 TRP 12 4.185 -11.883 8.021 109 HZ3 TRP 12 HZ3 TRP 12 5.472 -15.927 8.465 110 HH2 TRP 12 HH2 TRP 12 5.530 -13.589 9.167 111 H TYR 13 H TYR 13 3.450 -17.995 2.305 112 HA TYR 13 HA TYR 13 1.356 -19.533 1.528 113 HB2 TYR 13 2HB TYR 13 4.218 -19.471 0.897 114 HB3 TYR 13 3HB TYR 13 3.467 -21.034 0.597 115 HD1 TYR 13 HD1 TYR 13 1.923 -17.673 0.245 116 HD2 TYR 13 HD2 TYR 13 3.412 -21.126 -1.746 117 HE1 TYR 13 HE1 TYR 13 1.024 -16.827 -1.883 118 HE2 TYR 13 HE2 TYR 13 2.518 -20.289 -3.879 119 HH TYR 13 HH TYR 13 0.331 -17.691 -4.061 120 H VAL 14 H VAL 14 4.216 -20.830 3.223 121 HA VAL 14 HA VAL 14 3.549 -23.427 3.554 122 HB VAL 14 HB VAL 14 4.797 -23.473 5.625 123 HG11 VAL 14 1HG1 VAL 14 5.756 -22.561 3.213 124 HG12 VAL 14 2HG1 VAL 14 6.391 -21.387 4.367 125 HG13 VAL 14 3HG1 VAL 14 6.733 -23.105 4.576 126 HG21 VAL 14 3HG2 VAL 14 4.332 -21.821 7.069 127 HG22 VAL 14 1HG2 VAL 14 5.598 -20.934 6.221 128 HG23 VAL 14 2HG2 VAL 14 3.906 -20.689 5.786 129 H TRP 15 H TRP 15 2.126 -20.699 5.240 130 HA TRP 15 HA TRP 15 0.531 -22.432 6.944 131 HB2 TRP 15 2HB TRP 15 1.321 -20.470 8.032 132 HB3 TRP 15 3HB TRP 15 0.794 -19.437 6.706 133 HD1 TRP 15 HD1 TRP 15 -1.192 -18.027 7.460 134 HE1 TRP 15 HE1 TRP 15 -3.291 -18.402 8.901 135 HE3 TRP 15 HE3 TRP 15 -0.362 -22.875 8.856 136 HZ2 TRP 15 HZ2 TRP 15 -4.443 -20.478 10.428 137 HZ3 TRP 15 HZ3 TRP 15 -2.011 -23.982 10.309 138 HH2 TRP 15 HH2 TRP 15 -4.008 -22.807 11.078 139 H LEU 16 H LEU 16 -0.101 -19.883 4.530 140 HA LEU 16 HA LEU 16 -2.607 -21.275 3.863 141 HB2 LEU 16 2HB LEU 16 -3.389 -19.417 5.018 142 HB3 LEU 16 3HB LEU 16 -2.123 -18.370 4.382 143 HG LEU 16 HG LEU 16 -4.017 -19.424 2.385 144 HD11 LEU 16 1HD1 LEU 16 -4.884 -17.421 4.465 145 HD12 LEU 16 2HD1 LEU 16 -5.556 -19.033 4.219 146 HD13 LEU 16 3HD1 LEU 16 -5.753 -17.797 2.977 147 HD21 LEU 16 3HD2 LEU 16 -3.310 -17.638 1.252 148 HD22 LEU 16 1HD2 LEU 16 -2.099 -17.447 2.519 149 HD23 LEU 16 2HD2 LEU 16 -3.617 -16.553 2.608 150 H GLY 17 H GLY 17 -2.594 -21.948 1.828 151 HA2 GLY 17 2HA GLY 17 -2.565 -21.489 -0.516 152 HA3 GLY 17 3HA GLY 17 -1.373 -20.232 -0.222 153 H PHE 18 H PHE 18 -0.280 -22.586 1.661 154 HA PHE 18 HA PHE 18 1.966 -23.206 0.211 155 HB2 PHE 18 2HB PHE 18 2.152 -25.231 1.699 156 HB3 PHE 18 3HB PHE 18 1.896 -23.710 2.549 157 HD1 PHE 18 HD2 PHE 18 -0.225 -23.236 3.640 158 HD2 PHE 18 HD1 PHE 18 0.474 -26.948 1.679 159 HE1 PHE 18 HE2 PHE 18 -2.177 -24.203 4.783 160 HE2 PHE 18 HE1 PHE 18 -1.478 -27.921 2.818 161 HZ PHE 18 HZ PHE 18 -2.805 -26.549 4.374 Start of MODEL 4 1 H1 LEU 1 H LEU 1 3.454 -0.024 0.462 2 HA LEU 1 HA LEU 1 0.821 0.148 -0.655 3 HB2 LEU 1 2HB LEU 1 3.169 1.526 -0.987 4 HB3 LEU 1 3HB LEU 1 3.057 0.598 -2.481 5 HG LEU 1 HG LEU 1 2.109 2.758 -2.861 6 HD11 LEU 1 1HD1 LEU 1 0.969 0.815 -3.871 7 HD12 LEU 1 2HD1 LEU 1 -0.114 2.177 -3.586 8 HD13 LEU 1 3HD1 LEU 1 -0.143 0.787 -2.501 9 HD21 LEU 1 3HD2 LEU 1 1.229 3.903 -1.177 10 HD22 LEU 1 1HD2 LEU 1 1.170 2.456 -0.170 11 HD23 LEU 1 2HD2 LEU 1 -0.181 2.843 -1.237 12 H GLY 2 H GLY 2 1.980 -2.545 -0.148 13 HA2 GLY 2 2HA GLY 2 1.244 -4.492 -1.337 14 HA3 GLY 2 3HA GLY 2 1.489 -3.619 -2.842 15 H LYS 3 H LYS 3 3.950 -3.273 -0.487 16 HA LYS 3 HA LYS 3 5.742 -4.882 -2.147 17 HB2 LYS 3 2HB LYS 3 6.002 -2.441 -0.652 18 HB3 LYS 3 3HB LYS 3 7.189 -3.606 -0.083 19 HG2 LYS 3 2HG LYS 3 7.654 -3.933 -2.634 20 HG3 LYS 3 3HG LYS 3 6.908 -2.339 -2.763 21 HD2 LYS 3 2HD LYS 3 8.555 -1.343 -1.408 22 HD3 LYS 3 3HD LYS 3 9.135 -2.906 -0.826 23 HE2 LYS 3 2HE LYS 3 9.325 -2.861 -3.668 24 HE3 LYS 3 3HE LYS 3 10.061 -1.390 -3.034 25 HZ1 LYS 3 3HZ LYS 3 11.810 -2.545 -2.361 26 HZ2 LYS 3 1HZ LYS 3 11.175 -3.918 -3.118 27 HZ3 LYS 3 2HZ LYS 3 10.845 -3.624 -1.486 28 H TYR 4 H TYR 4 4.548 -4.610 1.151 29 HA TYR 4 HA TYR 4 6.246 -6.639 2.221 30 HB2 TYR 4 2HB TYR 4 3.684 -6.154 3.590 31 HB3 TYR 4 3HB TYR 4 5.327 -6.098 4.218 32 HD1 TYR 4 HD1 TYR 4 6.655 -4.033 4.037 33 HD2 TYR 4 HD2 TYR 4 2.593 -4.175 2.778 34 HE1 TYR 4 HE1 TYR 4 6.576 -1.575 4.037 35 HE2 TYR 4 HE2 TYR 4 2.503 -1.717 2.773 36 HH TYR 4 HH TYR 4 5.177 0.222 3.975 37 H GLU 5 H GLU 5 2.781 -6.574 1.385 38 HA GLU 5 HA GLU 5 2.287 -9.288 1.898 39 HB2 GLU 5 2HB GLU 5 0.879 -7.493 -0.086 40 HB3 GLU 5 3HB GLU 5 0.250 -8.991 0.584 41 HG2 GLU 5 2HG GLU 5 1.033 -7.119 2.651 42 HG3 GLU 5 3HG GLU 5 -0.173 -6.444 1.557 43 H GLN 6 H GLN 6 4.227 -7.929 -0.436 44 HA GLN 6 HA GLN 6 3.741 -9.997 -2.437 45 HB2 GLN 6 2HB GLN 6 4.672 -7.324 -2.529 46 HB3 GLN 6 3HB GLN 6 5.998 -8.348 -3.064 47 HG2 GLN 6 2HG GLN 6 3.214 -8.502 -4.188 48 HG3 GLN 6 3HG GLN 6 4.501 -7.513 -4.877 49 HE21 GLN 6 1HE2 GLN 6 6.420 -8.608 -5.622 50 HE22 GLN 6 2HE2 GLN 6 6.304 -10.226 -6.216 51 H TYR 7 H TYR 7 6.167 -8.970 -0.112 52 HA TYR 7 HA TYR 7 7.885 -11.220 -0.877 53 HB2 TYR 7 2HB TYR 7 9.669 -10.085 0.029 54 HB3 TYR 7 3HB TYR 7 8.656 -8.727 -0.447 55 HD1 TYR 7 HD2 TYR 7 9.427 -10.917 2.468 56 HD2 TYR 7 HD1 TYR 7 8.064 -7.116 1.126 57 HE1 TYR 7 HE2 TYR 7 9.446 -10.097 4.787 58 HE2 TYR 7 HE1 TYR 7 8.080 -6.286 3.441 59 HH TYR 7 HH TYR 7 8.004 -7.128 5.700 60 H ILE 8 H ILE 8 5.669 -10.194 1.532 61 HA ILE 8 HA ILE 8 6.637 -12.053 3.541 62 HB ILE 8 HB ILE 8 5.532 -9.745 3.977 63 HG12 ILE 8 2HG1 ILE 8 4.233 -11.001 5.990 64 HG13 ILE 8 3HG1 ILE 8 5.264 -12.313 5.430 65 HG21 ILE 8 1HG2 ILE 8 3.493 -10.659 2.558 66 HG22 ILE 8 2HG2 ILE 8 2.979 -11.253 4.136 67 HG23 ILE 8 3HG2 ILE 8 3.263 -9.530 3.893 68 HD11 ILE 8 3HD1 ILE 8 6.986 -10.176 5.564 69 HD12 ILE 8 1HD1 ILE 8 5.929 -9.939 6.955 70 HD13 ILE 8 2HD1 ILE 8 6.813 -11.454 6.767 71 H LYS 9 H LYS 9 4.536 -12.100 0.879 72 HA LYS 9 HA LYS 9 2.722 -14.097 1.864 73 HB2 LYS 9 2HB LYS 9 1.951 -14.210 -0.486 74 HB3 LYS 9 3HB LYS 9 1.971 -12.568 0.144 75 HG2 LYS 9 2HG LYS 9 3.909 -12.017 -1.091 76 HG3 LYS 9 3HG LYS 9 4.213 -13.706 -1.502 77 HD2 LYS 9 2HD LYS 9 1.651 -12.407 -2.334 78 HD3 LYS 9 3HD LYS 9 3.127 -12.114 -3.258 79 HE2 LYS 9 2HE LYS 9 3.093 -14.161 -4.165 80 HE3 LYS 9 3HE LYS 9 2.690 -14.930 -2.631 81 HZ1 LYS 9 3HZ LYS 9 0.374 -14.207 -2.977 82 HZ2 LYS 9 1HZ LYS 9 0.913 -15.270 -4.177 83 HZ3 LYS 9 2HZ LYS 9 0.799 -13.615 -4.503 84 H TRP 10 H TRP 10 5.909 -14.186 0.931 85 HA TRP 10 HA TRP 10 5.985 -16.619 -0.537 86 HB2 TRP 10 2HB TRP 10 7.974 -14.853 0.791 87 HB3 TRP 10 3HB TRP 10 8.459 -16.519 0.485 88 HD1 TRP 10 HD1 TRP 10 8.218 -13.209 -1.173 89 HE1 TRP 10 HE1 TRP 10 8.730 -13.428 -3.686 90 HE3 TRP 10 HE3 TRP 10 8.016 -18.299 -1.602 91 HZ2 TRP 10 HZ2 TRP 10 9.010 -15.486 -5.597 92 HZ3 TRP 10 HZ3 TRP 10 8.417 -19.314 -3.807 93 HH2 TRP 10 HH2 TRP 10 8.903 -17.935 -5.762 94 HA PRO 11 HA PRO 11 7.201 -18.623 3.689 95 HB2 PRO 11 2HB PRO 11 6.853 -17.121 5.923 96 HB3 PRO 11 3HB PRO 11 8.358 -17.130 4.997 97 HG2 PRO 11 2HG PRO 11 6.116 -15.148 4.947 98 HG3 PRO 11 3HG PRO 11 7.865 -14.858 4.947 99 HD2 PRO 11 2HD PRO 11 6.368 -14.736 2.694 100 HD3 PRO 11 3HD PRO 11 8.060 -15.272 2.688 101 H TRP 12 H TRP 12 4.582 -16.238 4.010 102 HA TRP 12 HA TRP 12 2.903 -17.582 5.727 103 HB2 TRP 12 2HB TRP 12 2.167 -15.875 3.341 104 HB3 TRP 12 3HB TRP 12 1.040 -16.359 4.605 105 HD1 TRP 12 HD1 TRP 12 1.352 -13.341 4.270 106 HE1 TRP 12 HE1 TRP 12 2.491 -11.876 6.053 107 HE3 TRP 12 HE3 TRP 12 4.110 -16.939 6.634 108 HZ2 TRP 12 HZ2 TRP 12 4.319 -12.202 8.180 109 HZ3 TRP 12 HZ3 TRP 12 5.528 -16.279 8.534 110 HH2 TRP 12 HH2 TRP 12 5.630 -13.959 9.289 111 H TYR 13 H TYR 13 3.479 -18.168 2.326 112 HA TYR 13 HA TYR 13 1.359 -19.648 1.510 113 HB2 TYR 13 2HB TYR 13 4.222 -19.626 0.885 114 HB3 TYR 13 3HB TYR 13 3.442 -21.168 0.549 115 HD1 TYR 13 HD1 TYR 13 1.963 -17.770 0.271 116 HD2 TYR 13 HD2 TYR 13 3.389 -21.206 -1.795 117 HE1 TYR 13 HE1 TYR 13 1.084 -16.859 -1.838 118 HE2 TYR 13 HE2 TYR 13 2.516 -20.304 -3.910 119 HH TYR 13 HH TYR 13 0.848 -18.727 -4.689 120 H VAL 14 H VAL 14 4.190 -21.037 3.180 121 HA VAL 14 HA VAL 14 3.473 -23.628 3.451 122 HB VAL 14 HB VAL 14 4.717 -23.745 5.522 123 HG11 VAL 14 1HG1 VAL 14 6.380 -21.678 4.355 124 HG12 VAL 14 2HG1 VAL 14 6.642 -23.421 4.447 125 HG13 VAL 14 3HG1 VAL 14 5.688 -22.739 3.129 126 HG21 VAL 14 3HG2 VAL 14 4.278 -22.118 7.003 127 HG22 VAL 14 1HG2 VAL 14 5.564 -21.235 6.179 128 HG23 VAL 14 2HG2 VAL 14 3.878 -20.948 5.746 129 H TRP 15 H TRP 15 2.099 -20.912 5.197 130 HA TRP 15 HA TRP 15 0.468 -22.653 6.858 131 HB2 TRP 15 2HB TRP 15 1.293 -20.732 7.992 132 HB3 TRP 15 3HB TRP 15 0.789 -19.659 6.689 133 HD1 TRP 15 HD1 TRP 15 -1.266 -22.263 8.718 134 HE1 TRP 15 HE1 TRP 15 -3.339 -21.065 9.661 135 HE3 TRP 15 HE3 TRP 15 -0.309 -17.534 7.028 136 HZ2 TRP 15 HZ2 TRP 15 -4.426 -18.459 9.685 137 HZ3 TRP 15 HZ3 TRP 15 -1.915 -15.746 7.554 138 HH2 TRP 15 HH2 TRP 15 -3.931 -16.201 8.854 139 H LEU 16 H LEU 16 -0.111 -20.038 4.502 140 HA LEU 16 HA LEU 16 -2.642 -21.367 3.800 141 HB2 LEU 16 2HB LEU 16 -3.390 -19.522 4.996 142 HB3 LEU 16 3HB LEU 16 -2.103 -18.484 4.384 143 HG LEU 16 HG LEU 16 -3.956 -19.434 2.322 144 HD11 LEU 16 1HD1 LEU 16 -5.543 -17.495 3.193 145 HD12 LEU 16 2HD1 LEU 16 -4.945 -18.057 4.753 146 HD13 LEU 16 3HD1 LEU 16 -5.767 -19.179 3.669 147 HD21 LEU 16 3HD2 LEU 16 -2.081 -17.542 2.437 148 HD22 LEU 16 1HD2 LEU 16 -3.475 -16.573 2.918 149 HD23 LEU 16 2HD2 LEU 16 -3.485 -17.427 1.374 150 H GLY 17 H GLY 17 -2.637 -21.994 1.750 151 HA2 GLY 17 2HA GLY 17 -2.595 -21.483 -0.583 152 HA3 GLY 17 3HA GLY 17 -1.381 -20.255 -0.259 153 H PHE 18 H PHE 18 -0.337 -22.673 1.572 154 HA PHE 18 HA PHE 18 1.902 -23.300 0.113 155 HB2 PHE 18 2HB PHE 18 2.046 -25.362 1.554 156 HB3 PHE 18 3HB PHE 18 1.817 -23.857 2.438 157 HD1 PHE 18 HD1 PHE 18 -0.296 -23.367 3.536 158 HD2 PHE 18 HD2 PHE 18 0.335 -27.047 1.491 159 HE1 PHE 18 HE1 PHE 18 -2.268 -24.323 4.654 160 HE2 PHE 18 HE2 PHE 18 -1.637 -28.008 2.605 161 HZ PHE 18 HZ PHE 18 -2.942 -26.646 4.188 Start of MODEL 5 1 H1 LEU 1 H LEU 1 3.944 1.295 -1.069 2 HA LEU 1 HA LEU 1 1.777 -0.226 -0.239 3 HB2 LEU 1 2HB LEU 1 2.227 1.512 -2.641 4 HB3 LEU 1 3HB LEU 1 0.692 0.684 -2.385 5 HG LEU 1 HG LEU 1 1.879 2.574 -0.365 6 HD11 LEU 1 1HD1 LEU 1 1.230 4.344 -1.534 7 HD12 LEU 1 2HD1 LEU 1 -0.360 3.639 -1.824 8 HD13 LEU 1 3HD1 LEU 1 0.978 3.272 -2.913 9 HD21 LEU 1 3HD2 LEU 1 -0.798 2.664 -0.073 10 HD22 LEU 1 1HD2 LEU 1 0.250 1.557 0.814 11 HD23 LEU 1 2HD2 LEU 1 -0.599 1.002 -0.630 12 H GLY 2 H GLY 2 2.315 -2.432 -0.389 13 HA2 GLY 2 2HA GLY 2 1.616 -4.378 -1.590 14 HA3 GLY 2 3HA GLY 2 1.935 -3.523 -3.092 15 H LYS 3 H LYS 3 4.306 -3.193 -0.644 16 HA LYS 3 HA LYS 3 6.136 -4.847 -2.216 17 HB2 LYS 3 2HB LYS 3 6.376 -2.395 -0.735 18 HB3 LYS 3 3HB LYS 3 7.522 -3.573 -0.110 19 HG2 LYS 3 2HG LYS 3 7.326 -3.179 -3.054 20 HG3 LYS 3 3HG LYS 3 8.168 -1.973 -2.077 21 HD2 LYS 3 2HD LYS 3 9.299 -4.160 -1.067 22 HD3 LYS 3 3HD LYS 3 8.886 -4.794 -2.662 23 HE2 LYS 3 2HE LYS 3 10.116 -2.132 -2.687 24 HE3 LYS 3 3HE LYS 3 11.158 -3.411 -2.066 25 HZ1 LYS 3 3HZ LYS 3 11.557 -3.417 -4.336 26 HZ2 LYS 3 1HZ LYS 3 9.933 -3.170 -4.740 27 HZ3 LYS 3 2HZ LYS 3 10.439 -4.673 -4.153 28 H TYR 4 H TYR 4 4.822 -4.519 1.032 29 HA TYR 4 HA TYR 4 6.443 -6.565 2.185 30 HB2 TYR 4 2HB TYR 4 3.839 -6.022 3.451 31 HB3 TYR 4 3HB TYR 4 5.458 -5.987 4.141 32 HD1 TYR 4 HD2 TYR 4 6.830 -3.947 3.984 33 HD2 TYR 4 HD1 TYR 4 2.814 -4.033 2.580 34 HE1 TYR 4 HE2 TYR 4 6.793 -1.488 3.956 35 HE2 TYR 4 HE1 TYR 4 2.766 -1.574 2.548 36 HH TYR 4 HH TYR 4 5.424 0.317 2.625 37 H GLU 5 H GLU 5 3.013 -6.449 1.220 38 HA GLU 5 HA GLU 5 2.452 -9.149 1.741 39 HB2 GLU 5 2HB GLU 5 1.152 -7.341 -0.304 40 HB3 GLU 5 3HB GLU 5 0.474 -8.831 0.337 41 HG2 GLU 5 2HG GLU 5 0.980 -6.269 1.824 42 HG3 GLU 5 3HG GLU 5 -0.577 -6.993 1.428 43 H GLN 6 H GLN 6 4.501 -7.848 -0.533 44 HA GLN 6 HA GLN 6 4.054 -9.929 -2.530 45 HB2 GLN 6 2HB GLN 6 5.023 -7.273 -2.620 46 HB3 GLN 6 3HB GLN 6 6.362 -8.316 -3.078 47 HG2 GLN 6 2HG GLN 6 5.025 -7.533 -4.994 48 HG3 GLN 6 3HG GLN 6 5.080 -9.289 -4.850 49 HE21 GLN 6 1HE2 GLN 6 3.216 -10.040 -5.565 50 HE22 GLN 6 2HE2 GLN 6 1.651 -9.462 -5.116 51 H TYR 7 H TYR 7 6.409 -8.920 -0.126 52 HA TYR 7 HA TYR 7 8.114 -11.206 -0.804 53 HB2 TYR 7 2HB TYR 7 9.883 -10.093 0.157 54 HB3 TYR 7 3HB TYR 7 8.912 -8.723 -0.370 55 HD1 TYR 7 HD2 TYR 7 9.535 -10.895 2.593 56 HD2 TYR 7 HD1 TYR 7 8.291 -7.085 1.164 57 HE1 TYR 7 HE2 TYR 7 9.482 -10.052 4.903 58 HE2 TYR 7 HE1 TYR 7 8.236 -6.231 3.470 59 HH TYR 7 HH TYR 7 9.711 -7.644 5.988 60 H ILE 8 H ILE 8 5.830 -10.117 1.510 61 HA ILE 8 HA ILE 8 6.689 -11.972 3.572 62 HB ILE 8 HB ILE 8 5.610 -9.641 3.945 63 HG12 ILE 8 2HG1 ILE 8 4.214 -10.852 5.919 64 HG13 ILE 8 3HG1 ILE 8 5.239 -12.189 5.410 65 HG21 ILE 8 1HG2 ILE 8 3.609 -10.535 2.459 66 HG22 ILE 8 2HG2 ILE 8 3.026 -11.099 4.024 67 HG23 ILE 8 3HG2 ILE 8 3.352 -9.384 3.770 68 HD11 ILE 8 3HD1 ILE 8 6.232 -9.471 6.230 69 HD12 ILE 8 1HD1 ILE 8 6.194 -10.898 7.266 70 HD13 ILE 8 2HD1 ILE 8 7.217 -10.877 5.829 71 H LYS 9 H LYS 9 4.690 -12.011 0.833 72 HA LYS 9 HA LYS 9 2.803 -13.964 1.769 73 HB2 LYS 9 2HB LYS 9 2.122 -14.091 -0.609 74 HB3 LYS 9 3HB LYS 9 2.144 -12.443 0.006 75 HG2 LYS 9 2HG LYS 9 4.138 -11.935 -1.158 76 HG3 LYS 9 3HG LYS 9 4.429 -13.633 -1.540 77 HD2 LYS 9 2HD LYS 9 1.972 -12.197 -2.499 78 HD3 LYS 9 3HD LYS 9 3.491 -12.135 -3.396 79 HE2 LYS 9 2HE LYS 9 3.279 -14.246 -4.133 80 HE3 LYS 9 3HE LYS 9 2.680 -14.829 -2.581 81 HZ1 LYS 9 3HZ LYS 9 1.076 -13.368 -4.609 82 HZ2 LYS 9 1HZ LYS 9 0.503 -13.939 -3.123 83 HZ3 LYS 9 2HZ LYS 9 1.008 -15.032 -4.311 84 H TRP 10 H TRP 10 6.021 -14.121 0.960 85 HA TRP 10 HA TRP 10 6.108 -16.571 -0.478 86 HB2 TRP 10 2HB TRP 10 8.078 -14.826 0.906 87 HB3 TRP 10 3HB TRP 10 8.543 -16.503 0.637 88 HD1 TRP 10 HD1 TRP 10 8.428 -13.209 -1.065 89 HE1 TRP 10 HE1 TRP 10 9.031 -13.467 -3.554 90 HE3 TRP 10 HE3 TRP 10 8.145 -18.299 -1.446 91 HZ2 TRP 10 HZ2 TRP 10 9.344 -15.552 -5.431 92 HZ3 TRP 10 HZ3 TRP 10 8.611 -19.347 -3.623 93 HH2 TRP 10 HH2 TRP 10 9.197 -18.000 -5.573 94 HA PRO 11 HA PRO 11 7.126 -18.549 3.812 95 HB2 PRO 11 2HB PRO 11 6.721 -17.016 6.016 96 HB3 PRO 11 3HB PRO 11 8.260 -17.062 5.148 97 HG2 PRO 11 2HG PRO 11 6.057 -15.041 4.991 98 HG3 PRO 11 3HG PRO 11 7.810 -14.782 5.055 99 HD2 PRO 11 2HD PRO 11 6.402 -14.658 2.745 100 HD3 PRO 11 3HD PRO 11 8.083 -15.225 2.809 101 H TRP 12 H TRP 12 4.541 -16.114 4.008 102 HA TRP 12 HA TRP 12 2.773 -17.408 5.673 103 HB2 TRP 12 2HB TRP 12 2.160 -15.714 3.243 104 HB3 TRP 12 3HB TRP 12 0.977 -16.165 4.469 105 HD1 TRP 12 HD1 TRP 12 1.357 -13.157 4.116 106 HE1 TRP 12 HE1 TRP 12 2.455 -11.694 5.927 107 HE3 TRP 12 HE3 TRP 12 3.956 -16.778 6.619 108 HZ2 TRP 12 HZ2 TRP 12 4.194 -12.030 8.125 109 HZ3 TRP 12 HZ3 TRP 12 5.313 -16.124 8.565 110 HH2 TRP 12 HH2 TRP 12 5.429 -13.799 9.300 111 H TYR 13 H TYR 13 3.469 -18.042 2.303 112 HA TYR 13 HA TYR 13 1.353 -19.491 1.421 113 HB2 TYR 13 2HB TYR 13 4.238 -19.529 0.907 114 HB3 TYR 13 3HB TYR 13 3.444 -21.060 0.557 115 HD1 TYR 13 HD1 TYR 13 2.038 -17.640 0.185 116 HD2 TYR 13 HD2 TYR 13 3.481 -21.123 -1.787 117 HE1 TYR 13 HE1 TYR 13 1.258 -16.739 -1.966 118 HE2 TYR 13 HE2 TYR 13 2.706 -20.231 -3.944 119 HH TYR 13 HH TYR 13 1.636 -18.585 -4.978 120 H VAL 14 H VAL 14 4.092 -20.914 3.213 121 HA VAL 14 HA VAL 14 3.316 -23.488 3.482 122 HB VAL 14 HB VAL 14 4.475 -23.605 5.602 123 HG11 VAL 14 1HG1 VAL 14 5.729 -23.209 3.439 124 HG12 VAL 14 2HG1 VAL 14 5.900 -21.530 3.955 125 HG13 VAL 14 3HG1 VAL 14 6.600 -22.827 4.923 126 HG21 VAL 14 3HG2 VAL 14 4.013 -21.952 7.047 127 HG22 VAL 14 1HG2 VAL 14 5.345 -21.104 6.262 128 HG23 VAL 14 2HG2 VAL 14 3.683 -20.791 5.762 129 H TRP 15 H TRP 15 1.927 -20.729 5.146 130 HA TRP 15 HA TRP 15 0.201 -22.422 6.760 131 HB2 TRP 15 2HB TRP 15 1.017 -20.504 7.906 132 HB3 TRP 15 3HB TRP 15 0.584 -19.435 6.574 133 HD1 TRP 15 HD1 TRP 15 -1.748 -18.320 6.672 134 HE1 TRP 15 HE1 TRP 15 -3.774 -18.493 8.250 135 HE3 TRP 15 HE3 TRP 15 -0.275 -22.354 9.447 136 HZ2 TRP 15 HZ2 TRP 15 -4.634 -20.123 10.388 137 HZ3 TRP 15 HZ3 TRP 15 -1.757 -23.156 11.239 138 HH2 TRP 15 HH2 TRP 15 -3.891 -22.062 11.699 139 H LEU 16 H LEU 16 -0.238 -19.822 4.357 140 HA LEU 16 HA LEU 16 -2.764 -21.112 3.570 141 HB2 LEU 16 2HB LEU 16 -3.524 -19.241 4.717 142 HB3 LEU 16 3HB LEU 16 -2.195 -18.233 4.149 143 HG LEU 16 HG LEU 16 -3.210 -18.145 1.925 144 HD11 LEU 16 1HD1 LEU 16 -5.005 -20.159 3.123 145 HD12 LEU 16 2HD1 LEU 16 -4.452 -19.972 1.459 146 HD13 LEU 16 3HD1 LEU 16 -5.757 -18.957 2.073 147 HD21 LEU 16 3HD2 LEU 16 -5.326 -16.914 2.619 148 HD22 LEU 16 1HD2 LEU 16 -3.808 -16.345 3.312 149 HD23 LEU 16 2HD2 LEU 16 -4.899 -17.339 4.277 150 H GLY 17 H GLY 17 -2.692 -21.760 1.529 151 HA2 GLY 17 2HA GLY 17 -2.551 -21.275 -0.806 152 HA3 GLY 17 3HA GLY 17 -1.327 -20.066 -0.447 153 H PHE 18 H PHE 18 -0.400 -22.483 1.447 154 HA PHE 18 HA PHE 18 1.882 -23.167 0.083 155 HB2 PHE 18 2HB PHE 18 1.931 -25.216 1.548 156 HB3 PHE 18 3HB PHE 18 1.696 -23.698 2.408 157 HD1 PHE 18 HD1 PHE 18 -0.448 -23.157 3.418 158 HD2 PHE 18 HD2 PHE 18 0.192 -26.869 1.435 159 HE1 PHE 18 HE1 PHE 18 -2.480 -24.064 4.467 160 HE2 PHE 18 HE2 PHE 18 -1.839 -27.782 2.481 161 HZ PHE 18 HZ PHE 18 -3.179 -26.379 3.998 Start of MODEL 6 1 H1 LEU 1 H LEU 1 3.855 1.373 -1.573 2 HA LEU 1 HA LEU 1 2.019 -0.191 0.020 3 HB2 LEU 1 2HB LEU 1 1.640 2.083 -1.230 4 HB3 LEU 1 3HB LEU 1 1.284 1.032 -2.599 5 HG LEU 1 HG LEU 1 -0.359 -0.091 -0.859 6 HD11 LEU 1 1HD1 LEU 1 -0.366 2.759 0.098 7 HD12 LEU 1 2HD1 LEU 1 0.469 1.462 0.952 8 HD13 LEU 1 3HD1 LEU 1 -1.279 1.389 0.733 9 HD21 LEU 1 3HD2 LEU 1 -1.749 0.651 -2.419 10 HD22 LEU 1 1HD2 LEU 1 -0.575 1.868 -2.919 11 HD23 LEU 1 2HD2 LEU 1 -1.745 2.240 -1.653 12 H GLY 2 H GLY 2 2.189 -2.343 -0.226 13 HA2 GLY 2 2HA GLY 2 1.493 -4.277 -1.413 14 HA3 GLY 2 3HA GLY 2 1.760 -3.414 -2.921 15 H LYS 3 H LYS 3 4.227 -3.118 -0.564 16 HA LYS 3 HA LYS 3 5.984 -4.771 -2.219 17 HB2 LYS 3 2HB LYS 3 6.297 -2.337 -0.720 18 HB3 LYS 3 3HB LYS 3 7.458 -3.530 -0.154 19 HG2 LYS 3 2HG LYS 3 7.326 -3.457 -3.042 20 HG3 LYS 3 3HG LYS 3 7.714 -1.876 -2.358 21 HD2 LYS 3 2HD LYS 3 9.742 -2.547 -1.643 22 HD3 LYS 3 3HD LYS 3 9.151 -4.134 -1.144 23 HE2 LYS 3 2HE LYS 3 9.245 -4.944 -3.397 24 HE3 LYS 3 3HE LYS 3 9.610 -3.333 -4.013 25 HZ1 LYS 3 3HZ LYS 3 11.733 -3.386 -2.982 26 HZ2 LYS 3 1HZ LYS 3 11.560 -4.840 -3.828 27 HZ3 LYS 3 2HZ LYS 3 11.377 -4.814 -2.147 28 H TYR 4 H TYR 4 4.792 -4.469 1.078 29 HA TYR 4 HA TYR 4 6.440 -6.537 2.151 30 HB2 TYR 4 2HB TYR 4 3.886 -5.993 3.515 31 HB3 TYR 4 3HB TYR 4 5.529 -5.974 4.147 32 HD1 TYR 4 HD1 TYR 4 6.905 -3.941 3.967 33 HD2 TYR 4 HD2 TYR 4 2.844 -3.989 2.701 34 HE1 TYR 4 HE1 TYR 4 6.883 -1.481 3.966 35 HE2 TYR 4 HE2 TYR 4 2.810 -1.529 2.696 36 HH TYR 4 HH TYR 4 5.532 0.347 2.764 37 H GLU 5 H GLU 5 2.979 -6.391 1.307 38 HA GLU 5 HA GLU 5 2.420 -9.093 1.820 39 HB2 GLU 5 2HB GLU 5 1.075 -7.188 -0.104 40 HB3 GLU 5 3HB GLU 5 0.417 -8.738 0.403 41 HG2 GLU 5 2HG GLU 5 0.489 -7.884 2.761 42 HG3 GLU 5 3HG GLU 5 0.886 -6.300 2.095 43 H GLN 6 H GLN 6 4.398 -7.782 -0.509 44 HA GLN 6 HA GLN 6 3.868 -9.839 -2.511 45 HB2 GLN 6 2HB GLN 6 4.323 -7.407 -3.101 46 HB3 GLN 6 3HB GLN 6 5.990 -7.700 -2.623 47 HG2 GLN 6 2HG GLN 6 5.032 -9.707 -4.473 48 HG3 GLN 6 3HG GLN 6 4.892 -8.078 -5.130 49 HE21 GLN 6 1HE2 GLN 6 6.568 -7.565 -6.321 50 HE22 GLN 6 2HE2 GLN 6 8.212 -8.002 -6.020 51 H TYR 7 H TYR 7 6.313 -8.866 -0.182 52 HA TYR 7 HA TYR 7 7.979 -11.155 -0.941 53 HB2 TYR 7 2HB TYR 7 9.788 -10.060 -0.035 54 HB3 TYR 7 3HB TYR 7 8.806 -8.680 -0.513 55 HD1 TYR 7 HD2 TYR 7 9.529 -10.883 2.403 56 HD2 TYR 7 HD1 TYR 7 8.245 -7.056 1.059 57 HE1 TYR 7 HE2 TYR 7 9.565 -10.063 4.722 58 HE2 TYR 7 HE1 TYR 7 8.279 -6.225 3.374 59 HH TYR 7 HH TYR 7 8.119 -7.181 5.676 60 H ILE 8 H ILE 8 5.780 -10.080 1.458 61 HA ILE 8 HA ILE 8 6.703 -11.952 3.476 62 HB ILE 8 HB ILE 8 5.641 -9.622 3.902 63 HG12 ILE 8 2HG1 ILE 8 4.312 -10.848 5.913 64 HG13 ILE 8 3HG1 ILE 8 5.322 -12.180 5.360 65 HG21 ILE 8 1HG2 ILE 8 3.590 -10.497 2.478 66 HG22 ILE 8 2HG2 ILE 8 3.060 -11.082 4.054 67 HG23 ILE 8 3HG2 ILE 8 3.377 -9.364 3.813 68 HD11 ILE 8 3HD1 ILE 8 6.831 -11.332 6.764 69 HD12 ILE 8 1HD1 ILE 8 7.120 -10.146 5.491 70 HD13 ILE 8 2HD1 ILE 8 6.035 -9.760 6.827 71 H LYS 9 H LYS 9 4.608 -11.962 0.807 72 HA LYS 9 HA LYS 9 2.753 -13.922 1.791 73 HB2 LYS 9 2HB LYS 9 1.972 -14.016 -0.550 74 HB3 LYS 9 3HB LYS 9 2.050 -12.369 0.062 75 HG2 LYS 9 2HG LYS 9 3.938 -11.859 -1.218 76 HG3 LYS 9 3HG LYS 9 4.295 -13.560 -1.528 77 HD2 LYS 9 2HD LYS 9 1.704 -12.417 -2.472 78 HD3 LYS 9 3HD LYS 9 3.179 -12.069 -3.376 79 HE2 LYS 9 2HE LYS 9 3.312 -14.157 -4.188 80 HE3 LYS 9 3HE LYS 9 2.863 -14.885 -2.647 81 HZ1 LYS 9 3HZ LYS 9 0.537 -14.264 -3.140 82 HZ2 LYS 9 1HZ LYS 9 1.180 -15.367 -4.251 83 HZ3 LYS 9 2HZ LYS 9 1.023 -13.737 -4.673 84 H TRP 10 H TRP 10 5.940 -14.074 0.865 85 HA TRP 10 HA TRP 10 5.971 -16.510 -0.600 86 HB2 TRP 10 2HB TRP 10 7.992 -14.782 0.731 87 HB3 TRP 10 3HB TRP 10 8.445 -16.457 0.428 88 HD1 TRP 10 HD1 TRP 10 8.272 -13.145 -1.234 89 HE1 TRP 10 HE1 TRP 10 8.786 -13.376 -3.745 90 HE3 TRP 10 HE3 TRP 10 7.973 -18.231 -1.658 91 HZ2 TRP 10 HZ2 TRP 10 9.032 -15.442 -5.653 92 HZ3 TRP 10 HZ3 TRP 10 8.361 -19.255 -3.861 93 HH2 TRP 10 HH2 TRP 10 8.878 -17.888 -5.816 94 HA PRO 11 HA PRO 11 7.138 -18.533 3.631 95 HB2 PRO 11 2HB PRO 11 6.814 -17.022 5.863 96 HB3 PRO 11 3HB PRO 11 8.321 -17.062 4.940 97 HG2 PRO 11 2HG PRO 11 6.118 -15.036 4.883 98 HG3 PRO 11 3HG PRO 11 7.873 -14.780 4.887 99 HD2 PRO 11 2HD PRO 11 6.384 -14.631 2.630 100 HD3 PRO 11 3HD PRO 11 8.065 -15.200 2.628 101 H TRP 12 H TRP 12 4.566 -16.096 3.945 102 HA TRP 12 HA TRP 12 2.856 -17.404 5.659 103 HB2 TRP 12 2HB TRP 12 2.159 -15.688 3.267 104 HB3 TRP 12 3HB TRP 12 1.020 -16.147 4.530 105 HD1 TRP 12 HD1 TRP 12 1.391 -13.137 4.190 106 HE1 TRP 12 HE1 TRP 12 2.556 -11.691 5.973 107 HE3 TRP 12 HE3 TRP 12 4.074 -16.782 6.567 108 HZ2 TRP 12 HZ2 TRP 12 4.372 -12.048 8.104 109 HZ3 TRP 12 HZ3 TRP 12 5.501 -16.146 8.468 110 HH2 TRP 12 HH2 TRP 12 5.646 -13.828 9.219 111 H TYR 13 H TYR 13 3.429 -18.006 2.259 112 HA TYR 13 HA TYR 13 1.281 -19.447 1.442 113 HB2 TYR 13 2HB TYR 13 4.146 -19.482 0.823 114 HB3 TYR 13 3HB TYR 13 3.336 -21.008 0.487 115 HD1 TYR 13 HD1 TYR 13 1.927 -17.582 0.201 116 HD2 TYR 13 HD2 TYR 13 3.286 -21.049 -1.857 117 HE1 TYR 13 HE1 TYR 13 1.070 -16.657 -1.911 118 HE2 TYR 13 HE2 TYR 13 2.434 -20.133 -3.975 119 HH TYR 13 HH TYR 13 0.269 -17.934 -4.287 120 H VAL 14 H VAL 14 4.083 -20.888 3.119 121 HA VAL 14 HA VAL 14 3.316 -23.464 3.393 122 HB VAL 14 HB VAL 14 4.553 -23.602 5.466 123 HG11 VAL 14 1HG1 VAL 14 5.782 -23.269 3.334 124 HG12 VAL 14 2HG1 VAL 14 5.850 -21.542 3.686 125 HG13 VAL 14 3HG1 VAL 14 6.660 -22.692 4.750 126 HG21 VAL 14 3HG2 VAL 14 4.142 -21.965 6.945 127 HG22 VAL 14 1HG2 VAL 14 5.446 -21.108 6.122 128 HG23 VAL 14 2HG2 VAL 14 3.768 -20.789 5.685 129 H TRP 15 H TRP 15 1.991 -20.719 5.132 130 HA TRP 15 HA TRP 15 0.324 -22.426 6.794 131 HB2 TRP 15 2HB TRP 15 1.184 -20.518 7.925 132 HB3 TRP 15 3HB TRP 15 0.701 -19.438 6.620 133 HD1 TRP 15 HD1 TRP 15 -1.690 -18.411 6.735 134 HE1 TRP 15 HE1 TRP 15 -3.629 -18.566 8.420 135 HE3 TRP 15 HE3 TRP 15 0.041 -22.266 9.612 136 HZ2 TRP 15 HZ2 TRP 15 -4.332 -20.118 10.671 137 HZ3 TRP 15 HZ3 TRP 15 -1.325 -23.025 11.513 138 HH2 TRP 15 HH2 TRP 15 -3.465 -21.971 12.030 139 H LEU 16 H LEU 16 -0.201 -19.804 4.432 140 HA LEU 16 HA LEU 16 -2.755 -21.086 3.727 141 HB2 LEU 16 2HB LEU 16 -3.472 -19.225 4.918 142 HB3 LEU 16 3HB LEU 16 -2.163 -18.213 4.311 143 HG LEU 16 HG LEU 16 -3.259 -18.108 2.125 144 HD11 LEU 16 1HD1 LEU 16 -5.006 -20.130 3.373 145 HD12 LEU 16 2HD1 LEU 16 -4.534 -19.917 1.688 146 HD13 LEU 16 3HD1 LEU 16 -5.807 -18.912 2.380 147 HD21 LEU 16 3HD2 LEU 16 -5.457 -17.390 3.972 148 HD22 LEU 16 1HD2 LEU 16 -4.655 -16.428 2.730 149 HD23 LEU 16 2HD2 LEU 16 -3.875 -16.677 4.292 150 H GLY 17 H GLY 17 -2.761 -21.715 1.678 151 HA2 GLY 17 2HA GLY 17 -2.704 -21.210 -0.655 152 HA3 GLY 17 3HA GLY 17 -1.469 -20.003 -0.331 153 H PHE 18 H PHE 18 -0.475 -22.439 1.505 154 HA PHE 18 HA PHE 18 1.757 -23.107 0.054 155 HB2 PHE 18 2HB PHE 18 1.858 -25.173 1.496 156 HB3 PHE 18 3HB PHE 18 1.657 -23.663 2.379 157 HD1 PHE 18 HD1 PHE 18 -0.448 -23.131 3.472 158 HD2 PHE 18 HD2 PHE 18 0.113 -26.822 1.429 159 HE1 PHE 18 HE1 PHE 18 -2.442 -24.046 4.585 160 HE2 PHE 18 HE2 PHE 18 -1.880 -27.743 2.538 161 HZ PHE 18 HZ PHE 18 -3.161 -26.355 4.118 Start of MODEL 7 1 H1 LEU 1 H LEU 1 4.104 1.156 -1.511 2 HA LEU 1 HA LEU 1 2.028 -0.275 -0.220 3 HB2 LEU 1 2HB LEU 1 1.883 1.920 -1.508 4 HB3 LEU 1 3HB LEU 1 1.857 0.931 -2.967 5 HG LEU 1 HG LEU 1 -0.199 -0.186 -2.061 6 HD11 LEU 1 1HD1 LEU 1 -0.848 0.190 0.022 7 HD12 LEU 1 2HD1 LEU 1 -1.046 1.904 -0.338 8 HD13 LEU 1 3HD1 LEU 1 0.503 1.301 0.248 9 HD21 LEU 1 3HD2 LEU 1 -1.684 1.686 -2.629 10 HD22 LEU 1 1HD2 LEU 1 -0.342 1.539 -3.764 11 HD23 LEU 1 2HD2 LEU 1 -0.314 2.793 -2.524 12 H GLY 2 H GLY 2 2.289 -2.470 -0.287 13 HA2 GLY 2 2HA GLY 2 1.586 -4.473 -1.335 14 HA3 GLY 2 3HA GLY 2 1.826 -3.709 -2.899 15 H LYS 3 H LYS 3 4.341 -3.277 -0.616 16 HA LYS 3 HA LYS 3 6.080 -4.984 -2.219 17 HB2 LYS 3 2HB LYS 3 6.401 -2.543 -0.735 18 HB3 LYS 3 3HB LYS 3 7.553 -3.739 -0.156 19 HG2 LYS 3 2HG LYS 3 8.232 -4.097 -2.545 20 HG3 LYS 3 3HG LYS 3 7.233 -2.701 -2.960 21 HD2 LYS 3 2HD LYS 3 9.195 -2.363 -0.762 22 HD3 LYS 3 3HD LYS 3 9.835 -2.496 -2.402 23 HE2 LYS 3 2HE LYS 3 7.851 -0.740 -2.831 24 HE3 LYS 3 3HE LYS 3 8.224 -0.355 -1.151 25 HZ1 LYS 3 3HZ LYS 3 10.589 -0.625 -2.718 26 HZ2 LYS 3 1HZ LYS 3 10.077 0.674 -1.762 27 HZ3 LYS 3 2HZ LYS 3 9.558 0.549 -3.367 28 H TYR 4 H TYR 4 4.881 -4.656 1.073 29 HA TYR 4 HA TYR 4 6.514 -6.728 2.162 30 HB2 TYR 4 2HB TYR 4 3.961 -6.160 3.517 31 HB3 TYR 4 3HB TYR 4 5.602 -6.148 4.152 32 HD1 TYR 4 HD1 TYR 4 6.992 -4.125 3.963 33 HD2 TYR 4 HD2 TYR 4 2.932 -4.154 2.690 34 HE1 TYR 4 HE1 TYR 4 6.986 -1.665 3.948 35 HE2 TYR 4 HE2 TYR 4 2.915 -1.694 2.670 36 HH TYR 4 HH TYR 4 4.616 0.157 2.452 37 H GLU 5 H GLU 5 3.057 -6.566 1.307 38 HA GLU 5 HA GLU 5 2.480 -9.261 1.836 39 HB2 GLU 5 2HB GLU 5 1.149 -7.368 -0.110 40 HB3 GLU 5 3HB GLU 5 0.480 -8.904 0.421 41 HG2 GLU 5 2HG GLU 5 1.062 -6.528 2.175 42 HG3 GLU 5 3HG GLU 5 -0.526 -7.044 1.612 43 H GLN 6 H GLN 6 4.471 -7.975 -0.497 44 HA GLN 6 HA GLN 6 3.934 -10.042 -2.487 45 HB2 GLN 6 2HB GLN 6 5.154 -7.411 -2.504 46 HB3 GLN 6 3HB GLN 6 6.185 -8.599 -3.290 47 HG2 GLN 6 2HG GLN 6 3.430 -8.875 -4.115 48 HG3 GLN 6 3HG GLN 6 4.041 -7.248 -4.408 49 HE21 GLN 6 1HE2 GLN 6 4.301 -10.600 -5.223 50 HE22 GLN 6 2HE2 GLN 6 5.336 -10.403 -6.592 51 H TYR 7 H TYR 7 6.379 -9.069 -0.158 52 HA TYR 7 HA TYR 7 8.034 -11.372 -0.899 53 HB2 TYR 7 2HB TYR 7 9.847 -10.282 0.004 54 HB3 TYR 7 3HB TYR 7 8.874 -8.899 -0.484 55 HD1 TYR 7 HD2 TYR 7 9.579 -11.090 2.446 56 HD2 TYR 7 HD1 TYR 7 8.318 -7.263 1.078 57 HE1 TYR 7 HE2 TYR 7 9.616 -10.257 4.760 58 HE2 TYR 7 HE1 TYR 7 8.352 -6.419 3.388 59 HH TYR 7 HH TYR 7 8.132 -7.905 5.893 60 H ILE 8 H ILE 8 5.834 -10.270 1.488 61 HA ILE 8 HA ILE 8 6.743 -12.135 3.519 62 HB ILE 8 HB ILE 8 5.694 -9.796 3.928 63 HG12 ILE 8 2HG1 ILE 8 4.355 -10.999 5.946 64 HG13 ILE 8 3HG1 ILE 8 5.354 -12.342 5.402 65 HG21 ILE 8 1HG2 ILE 8 3.640 -10.667 2.506 66 HG22 ILE 8 2HG2 ILE 8 3.104 -11.240 4.084 67 HG23 ILE 8 3HG2 ILE 8 3.431 -9.525 3.834 68 HD11 ILE 8 3HD1 ILE 8 7.323 -10.763 5.601 69 HD12 ILE 8 1HD1 ILE 8 6.232 -9.682 6.467 70 HD13 ILE 8 2HD1 ILE 8 6.569 -11.291 7.105 71 H LYS 9 H LYS 9 4.655 -12.149 0.845 72 HA LYS 9 HA LYS 9 2.784 -14.091 1.837 73 HB2 LYS 9 2HB LYS 9 2.011 -14.197 -0.506 74 HB3 LYS 9 3HB LYS 9 2.095 -12.547 0.096 75 HG2 LYS 9 2HG LYS 9 3.991 -12.054 -1.181 76 HG3 LYS 9 3HG LYS 9 4.339 -13.759 -1.480 77 HD2 LYS 9 2HD LYS 9 1.717 -12.777 -2.422 78 HD3 LYS 9 3HD LYS 9 3.134 -12.151 -3.269 79 HE2 LYS 9 2HE LYS 9 2.551 -15.074 -2.806 80 HE3 LYS 9 3HE LYS 9 2.195 -14.203 -4.297 81 HZ1 LYS 9 3HZ LYS 9 4.591 -13.691 -4.459 82 HZ2 LYS 9 1HZ LYS 9 4.262 -15.348 -4.539 83 HZ3 LYS 9 2HZ LYS 9 4.876 -14.676 -3.114 84 H TRP 10 H TRP 10 5.973 -14.270 0.922 85 HA TRP 10 HA TRP 10 5.993 -16.716 -0.526 86 HB2 TRP 10 2HB TRP 10 8.021 -14.991 0.798 87 HB3 TRP 10 3HB TRP 10 8.464 -16.671 0.507 88 HD1 TRP 10 HD1 TRP 10 8.317 -13.370 -1.178 89 HE1 TRP 10 HE1 TRP 10 8.835 -13.622 -3.686 90 HE3 TRP 10 HE3 TRP 10 7.985 -18.456 -1.567 91 HZ2 TRP 10 HZ2 TRP 10 9.071 -15.702 -5.579 92 HZ3 TRP 10 HZ3 TRP 10 8.370 -19.499 -3.762 93 HH2 TRP 10 HH2 TRP 10 8.902 -18.148 -5.726 94 HA PRO 11 HA PRO 11 7.137 -18.716 3.722 95 HB2 PRO 11 2HB PRO 11 6.817 -17.187 5.943 96 HB3 PRO 11 3HB PRO 11 8.326 -17.243 5.024 97 HG2 PRO 11 2HG PRO 11 6.136 -15.203 4.947 98 HG3 PRO 11 3HG PRO 11 7.893 -14.959 4.953 99 HD2 PRO 11 2HD PRO 11 6.409 -14.817 2.692 100 HD3 PRO 11 3HD PRO 11 8.087 -15.397 2.698 101 H TRP 12 H TRP 12 4.579 -16.261 4.010 102 HA TRP 12 HA TRP 12 2.857 -17.546 5.730 103 HB2 TRP 12 2HB TRP 12 2.177 -15.841 3.326 104 HB3 TRP 12 3HB TRP 12 1.032 -16.285 4.589 105 HD1 TRP 12 HD1 TRP 12 1.424 -13.279 4.232 106 HE1 TRP 12 HE1 TRP 12 2.592 -11.830 6.009 107 HE3 TRP 12 HE3 TRP 12 4.076 -16.928 6.638 108 HZ2 TRP 12 HZ2 TRP 12 4.400 -12.186 8.147 109 HZ3 TRP 12 HZ3 TRP 12 5.502 -16.290 8.539 110 HH2 TRP 12 HH2 TRP 12 5.660 -13.967 9.276 111 H TYR 13 H TYR 13 3.435 -18.176 2.337 112 HA TYR 13 HA TYR 13 1.280 -19.607 1.523 113 HB2 TYR 13 2HB TYR 13 4.146 -19.665 0.912 114 HB3 TYR 13 3HB TYR 13 3.328 -21.189 0.585 115 HD1 TYR 13 HD1 TYR 13 1.939 -17.757 0.271 116 HD2 TYR 13 HD2 TYR 13 3.287 -21.244 -1.760 117 HE1 TYR 13 HE1 TYR 13 1.094 -16.841 -1.850 118 HE2 TYR 13 HE2 TYR 13 2.447 -20.338 -3.886 119 HH TYR 13 HH TYR 13 0.289 -18.066 -4.192 120 H VAL 14 H VAL 14 4.066 -21.055 3.219 121 HA VAL 14 HA VAL 14 3.281 -23.624 3.507 122 HB VAL 14 HB VAL 14 4.510 -23.756 5.586 123 HG11 VAL 14 1HG1 VAL 14 5.517 -22.781 3.189 124 HG12 VAL 14 2HG1 VAL 14 6.244 -21.752 4.425 125 HG13 VAL 14 3HG1 VAL 14 6.440 -23.504 4.506 126 HG21 VAL 14 3HG2 VAL 14 4.108 -22.105 7.051 127 HG22 VAL 14 1HG2 VAL 14 5.419 -21.263 6.225 128 HG23 VAL 14 2HG2 VAL 14 3.744 -20.936 5.782 129 H TRP 15 H TRP 15 1.969 -20.859 5.223 130 HA TRP 15 HA TRP 15 0.285 -22.543 6.890 131 HB2 TRP 15 2HB TRP 15 1.154 -20.635 8.012 132 HB3 TRP 15 3HB TRP 15 0.684 -19.559 6.699 133 HD1 TRP 15 HD1 TRP 15 -1.454 -22.094 8.728 134 HE1 TRP 15 HE1 TRP 15 -3.498 -20.833 9.654 135 HE3 TRP 15 HE3 TRP 15 -0.352 -17.401 7.026 136 HZ2 TRP 15 HZ2 TRP 15 -4.510 -18.198 9.661 137 HZ3 TRP 15 HZ3 TRP 15 -1.910 -15.566 7.535 138 HH2 TRP 15 HH2 TRP 15 -3.945 -15.958 8.825 139 H LEU 16 H LEU 16 -0.214 -19.934 4.509 140 HA LEU 16 HA LEU 16 -2.775 -21.203 3.805 141 HB2 LEU 16 2HB LEU 16 -3.485 -19.330 4.978 142 HB3 LEU 16 3HB LEU 16 -2.164 -18.331 4.374 143 HG LEU 16 HG LEU 16 -3.248 -18.246 2.173 144 HD11 LEU 16 1HD1 LEU 16 -4.422 -20.466 2.483 145 HD12 LEU 16 2HD1 LEU 16 -5.371 -19.176 1.745 146 HD13 LEU 16 3HD1 LEU 16 -5.618 -19.592 3.441 147 HD21 LEU 16 3HD2 LEU 16 -3.753 -16.410 3.534 148 HD22 LEU 16 1HD2 LEU 16 -4.795 -17.365 4.590 149 HD23 LEU 16 2HD2 LEU 16 -5.323 -16.970 2.954 150 H GLY 17 H GLY 17 -2.777 -21.847 1.761 151 HA2 GLY 17 2HA GLY 17 -2.710 -21.356 -0.576 152 HA3 GLY 17 3HA GLY 17 -1.465 -20.158 -0.256 153 H PHE 18 H PHE 18 -0.492 -22.585 1.600 154 HA PHE 18 HA PHE 18 1.735 -23.285 0.158 155 HB2 PHE 18 2HB PHE 18 1.819 -25.337 1.618 156 HB3 PHE 18 3HB PHE 18 1.625 -23.819 2.488 157 HD1 PHE 18 HD1 PHE 18 -0.481 -23.264 3.569 158 HD2 PHE 18 HD2 PHE 18 0.066 -26.977 1.561 159 HE1 PHE 18 HE1 PHE 18 -2.484 -24.159 4.685 160 HE2 PHE 18 HE2 PHE 18 -1.936 -27.877 2.673 161 HZ PHE 18 HZ PHE 18 -3.214 -26.468 4.236 Start of MODEL 8 1 H1 LEU 1 H LEU 1 3.145 0.482 0.372 2 HA LEU 1 HA LEU 1 0.611 0.113 -0.571 3 HB2 LEU 1 2HB LEU 1 1.247 1.328 -2.540 4 HB3 LEU 1 3HB LEU 1 2.082 2.004 -1.143 5 HG LEU 1 HG LEU 1 3.551 -0.014 -2.742 6 HD11 LEU 1 1HD1 LEU 1 2.790 1.132 -4.606 7 HD12 LEU 1 2HD1 LEU 1 4.291 1.972 -4.219 8 HD13 LEU 1 3HD1 LEU 1 2.741 2.680 -3.763 9 HD21 LEU 1 3HD2 LEU 1 5.189 2.101 -2.321 10 HD22 LEU 1 1HD2 LEU 1 4.987 0.759 -1.194 11 HD23 LEU 1 2HD2 LEU 1 4.086 2.256 -0.953 12 H GLY 2 H GLY 2 1.943 -2.469 -0.256 13 HA2 GLY 2 2HA GLY 2 1.122 -4.414 -1.450 14 HA3 GLY 2 3HA GLY 2 1.375 -3.533 -2.949 15 H LYS 3 H LYS 3 3.826 -3.193 -0.584 16 HA LYS 3 HA LYS 3 5.622 -4.806 -2.237 17 HB2 LYS 3 2HB LYS 3 5.878 -2.355 -0.756 18 HB3 LYS 3 3HB LYS 3 7.066 -3.516 -0.180 19 HG2 LYS 3 2HG LYS 3 7.261 -3.761 -2.904 20 HG3 LYS 3 3HG LYS 3 6.955 -2.037 -2.683 21 HD2 LYS 3 2HD LYS 3 8.804 -2.591 -0.724 22 HD3 LYS 3 3HD LYS 3 9.330 -3.615 -2.062 23 HE2 LYS 3 2HE LYS 3 9.719 -1.815 -3.457 24 HE3 LYS 3 3HE LYS 3 8.612 -0.762 -2.578 25 HZ1 LYS 3 3HZ LYS 3 11.235 -1.703 -1.550 26 HZ2 LYS 3 1HZ LYS 3 10.188 -0.619 -0.781 27 HZ3 LYS 3 2HZ LYS 3 10.950 -0.178 -2.225 28 H TYR 4 H TYR 4 4.427 -4.513 1.059 29 HA TYR 4 HA TYR 4 6.125 -6.535 2.142 30 HB2 TYR 4 2HB TYR 4 3.562 -6.043 3.507 31 HB3 TYR 4 3HB TYR 4 5.204 -5.983 4.136 32 HD1 TYR 4 HD1 TYR 4 6.532 -3.919 3.944 33 HD2 TYR 4 HD2 TYR 4 2.472 -4.068 2.682 34 HE1 TYR 4 HE1 TYR 4 6.453 -1.461 3.929 35 HE2 TYR 4 HE2 TYR 4 2.381 -1.610 2.662 36 HH TYR 4 HH TYR 4 3.726 0.290 3.936 37 H GLU 5 H GLU 5 2.663 -6.476 1.294 38 HA GLU 5 HA GLU 5 2.167 -9.186 1.828 39 HB2 GLU 5 2HB GLU 5 0.773 -7.351 -0.130 40 HB3 GLU 5 3HB GLU 5 0.148 -8.892 0.440 41 HG2 GLU 5 2HG GLU 5 0.530 -7.725 2.797 42 HG3 GLU 5 3HG GLU 5 0.305 -6.279 1.815 43 H GLN 6 H GLN 6 4.114 -7.845 -0.510 44 HA GLN 6 HA GLN 6 3.633 -9.929 -2.497 45 HB2 GLN 6 2HB GLN 6 4.465 -7.264 -2.662 46 HB3 GLN 6 3HB GLN 6 5.896 -8.208 -3.050 47 HG2 GLN 6 2HG GLN 6 4.699 -7.670 -5.064 48 HG3 GLN 6 3HG GLN 6 4.621 -9.406 -4.770 49 HE21 GLN 6 1HE2 GLN 6 2.826 -9.020 -6.381 50 HE22 GLN 6 2HE2 GLN 6 1.256 -8.714 -5.730 51 H TYR 7 H TYR 7 6.054 -8.880 -0.176 52 HA TYR 7 HA TYR 7 7.774 -11.134 -0.919 53 HB2 TYR 7 2HB TYR 7 9.557 -9.988 -0.025 54 HB3 TYR 7 3HB TYR 7 8.541 -8.635 -0.510 55 HD1 TYR 7 HD2 TYR 7 9.326 -10.800 2.419 56 HD2 TYR 7 HD1 TYR 7 7.939 -7.017 1.053 57 HE1 TYR 7 HE2 TYR 7 9.347 -9.964 4.732 58 HE2 TYR 7 HE1 TYR 7 7.957 -6.170 3.362 59 HH TYR 7 HH TYR 7 9.262 -6.797 5.542 60 H ILE 8 H ILE 8 5.545 -10.099 1.468 61 HA ILE 8 HA ILE 8 6.517 -11.927 3.504 62 HB ILE 8 HB ILE 8 5.389 -9.623 3.906 63 HG12 ILE 8 2HG1 ILE 8 4.092 -10.869 5.928 64 HG13 ILE 8 3HG1 ILE 8 5.142 -12.175 5.388 65 HG21 ILE 8 1HG2 ILE 8 3.366 -10.566 2.488 66 HG22 ILE 8 2HG2 ILE 8 2.851 -11.157 4.067 67 HG23 ILE 8 3HG2 ILE 8 3.118 -9.432 3.816 68 HD11 ILE 8 3HD1 ILE 8 6.962 -10.260 5.512 69 HD12 ILE 8 1HD1 ILE 8 5.819 -9.602 6.684 70 HD13 ILE 8 2HD1 ILE 8 6.500 -11.212 6.923 71 H LYS 9 H LYS 9 4.427 -12.018 0.832 72 HA LYS 9 HA LYS 9 2.626 -14.021 1.831 73 HB2 LYS 9 2HB LYS 9 1.834 -14.149 -0.495 74 HB3 LYS 9 3HB LYS 9 1.899 -12.489 0.082 75 HG2 LYS 9 2HG LYS 9 3.703 -11.953 -1.261 76 HG3 LYS 9 3HG LYS 9 4.196 -13.638 -1.445 77 HD2 LYS 9 2HD LYS 9 1.547 -12.752 -2.505 78 HD3 LYS 9 3HD LYS 9 3.014 -12.383 -3.414 79 HE2 LYS 9 2HE LYS 9 2.264 -15.147 -2.476 80 HE3 LYS 9 3HE LYS 9 1.872 -14.513 -4.073 81 HZ1 LYS 9 3HZ LYS 9 3.868 -15.778 -4.231 82 HZ2 LYS 9 1HZ LYS 9 4.580 -14.946 -2.941 83 HZ3 LYS 9 2HZ LYS 9 4.287 -14.148 -4.402 84 H TRP 10 H TRP 10 5.817 -14.091 0.908 85 HA TRP 10 HA TRP 10 5.919 -16.537 -0.536 86 HB2 TRP 10 2HB TRP 10 7.889 -14.742 0.783 87 HB3 TRP 10 3HB TRP 10 8.389 -16.406 0.492 88 HD1 TRP 10 HD1 TRP 10 8.124 -13.113 -1.195 89 HE1 TRP 10 HE1 TRP 10 8.647 -13.349 -3.704 90 HE3 TRP 10 HE3 TRP 10 7.969 -18.208 -1.580 91 HZ2 TRP 10 HZ2 TRP 10 8.952 -15.422 -5.596 92 HZ3 TRP 10 HZ3 TRP 10 8.387 -19.238 -3.775 93 HH2 TRP 10 HH2 TRP 10 8.868 -17.872 -5.740 94 HA PRO 11 HA PRO 11 7.138 -18.492 3.712 95 HB2 PRO 11 2HB PRO 11 6.769 -16.972 5.931 96 HB3 PRO 11 3HB PRO 11 8.278 -16.977 5.010 97 HG2 PRO 11 2HG PRO 11 6.018 -15.014 4.935 98 HG3 PRO 11 3HG PRO 11 7.765 -14.710 4.937 99 HD2 PRO 11 2HD PRO 11 6.275 -14.621 2.679 100 HD3 PRO 11 3HD PRO 11 7.971 -15.142 2.683 101 H TRP 12 H TRP 12 4.498 -16.126 4.005 102 HA TRP 12 HA TRP 12 2.824 -17.466 5.728 103 HB2 TRP 12 2HB TRP 12 2.081 -15.792 3.320 104 HB3 TRP 12 3HB TRP 12 0.954 -16.273 4.586 105 HD1 TRP 12 HD1 TRP 12 1.240 -13.256 4.220 106 HE1 TRP 12 HE1 TRP 12 2.361 -11.761 5.991 107 HE3 TRP 12 HE3 TRP 12 4.023 -16.802 6.632 108 HZ2 TRP 12 HZ2 TRP 12 4.184 -12.048 8.127 109 HZ3 TRP 12 HZ3 TRP 12 5.429 -16.109 8.528 110 HH2 TRP 12 HH2 TRP 12 5.506 -13.781 9.258 111 H TYR 13 H TYR 13 3.416 -18.082 2.334 112 HA TYR 13 HA TYR 13 1.311 -19.591 1.529 113 HB2 TYR 13 2HB TYR 13 4.176 -19.549 0.910 114 HB3 TYR 13 3HB TYR 13 3.410 -21.100 0.586 115 HD1 TYR 13 HD1 TYR 13 1.905 -17.717 0.274 116 HD2 TYR 13 HD2 TYR 13 3.361 -21.160 -1.758 117 HE1 TYR 13 HE1 TYR 13 1.024 -16.832 -1.845 118 HE2 TYR 13 HE2 TYR 13 2.485 -20.284 -3.883 119 HH TYR 13 HH TYR 13 0.876 -18.738 -4.712 120 H VAL 14 H VAL 14 4.153 -20.935 3.218 121 HA VAL 14 HA VAL 14 3.461 -23.530 3.514 122 HB VAL 14 HB VAL 14 4.702 -23.614 5.587 123 HG11 VAL 14 1HG1 VAL 14 6.778 -22.744 4.841 124 HG12 VAL 14 2HG1 VAL 14 5.874 -23.194 3.394 125 HG13 VAL 14 3HG1 VAL 14 5.987 -21.500 3.873 126 HG21 VAL 14 3HG2 VAL 14 4.242 -21.979 7.053 127 HG22 VAL 14 1HG2 VAL 14 5.521 -21.091 6.224 128 HG23 VAL 14 2HG2 VAL 14 3.834 -20.825 5.784 129 H TRP 15 H TRP 15 2.056 -20.810 5.229 130 HA TRP 15 HA TRP 15 0.439 -22.551 6.905 131 HB2 TRP 15 2HB TRP 15 1.244 -20.609 8.019 132 HB3 TRP 15 3HB TRP 15 0.729 -19.554 6.706 133 HD1 TRP 15 HD1 TRP 15 -1.255 -18.143 7.459 134 HE1 TRP 15 HE1 TRP 15 -3.359 -18.517 8.894 135 HE3 TRP 15 HE3 TRP 15 -0.451 -23.003 8.827 136 HZ2 TRP 15 HZ2 TRP 15 -4.523 -20.597 10.407 137 HZ3 TRP 15 HZ3 TRP 15 -2.107 -24.111 10.270 138 HH2 TRP 15 HH2 TRP 15 -4.100 -22.931 11.043 139 H LEU 16 H LEU 16 -0.161 -19.966 4.521 140 HA LEU 16 HA LEU 16 -2.677 -21.326 3.827 141 HB2 LEU 16 2HB LEU 16 -3.446 -19.476 5.003 142 HB3 LEU 16 3HB LEU 16 -2.168 -18.432 4.384 143 HG LEU 16 HG LEU 16 -4.063 -19.444 2.367 144 HD11 LEU 16 1HD1 LEU 16 -5.427 -18.939 4.473 145 HD12 LEU 16 2HD1 LEU 16 -5.902 -18.141 2.974 146 HD13 LEU 16 3HD1 LEU 16 -4.988 -17.254 4.194 147 HD21 LEU 16 3HD2 LEU 16 -2.153 -17.420 2.613 148 HD22 LEU 16 1HD2 LEU 16 -3.710 -16.594 2.550 149 HD23 LEU 16 2HD2 LEU 16 -3.247 -17.701 1.258 150 H GLY 17 H GLY 17 -2.663 -21.974 1.784 151 HA2 GLY 17 2HA GLY 17 -2.621 -21.487 -0.554 152 HA3 GLY 17 3HA GLY 17 -1.419 -20.243 -0.240 153 H PHE 18 H PHE 18 -0.354 -22.631 1.617 154 HA PHE 18 HA PHE 18 1.894 -23.251 0.170 155 HB2 PHE 18 2HB PHE 18 2.054 -25.298 1.632 156 HB3 PHE 18 3HB PHE 18 1.809 -23.786 2.501 157 HD1 PHE 18 HD2 PHE 18 -0.311 -23.305 3.589 158 HD2 PHE 18 HD1 PHE 18 0.359 -26.998 1.581 159 HE1 PHE 18 HE2 PHE 18 -2.278 -24.269 4.711 160 HE2 PHE 18 HE1 PHE 18 -1.607 -27.967 2.699 161 HZ PHE 18 HZ PHE 18 -2.927 -26.602 4.267 Start of MODEL 9 1 H1 LEU 1 H LEU 1 4.828 0.874 -1.008 2 HA LEU 1 HA LEU 1 2.275 -0.142 -0.087 3 HB2 LEU 1 2HB LEU 1 2.795 2.055 -1.405 4 HB3 LEU 1 3HB LEU 1 2.727 0.995 -2.811 5 HG LEU 1 HG LEU 1 0.431 0.854 -0.954 6 HD11 LEU 1 1HD1 LEU 1 1.229 3.344 -1.346 7 HD12 LEU 1 2HD1 LEU 1 -0.477 2.900 -1.369 8 HD13 LEU 1 3HD1 LEU 1 0.400 3.108 -2.885 9 HD21 LEU 1 3HD2 LEU 1 0.040 -0.439 -2.786 10 HD22 LEU 1 1HD2 LEU 1 1.011 0.578 -3.851 11 HD23 LEU 1 2HD2 LEU 1 -0.611 1.088 -3.383 12 H GLY 2 H GLY 2 2.235 -2.338 -0.177 13 HA2 GLY 2 2HA GLY 2 1.753 -4.331 -1.264 14 HA3 GLY 2 3HA GLY 2 2.049 -3.530 -2.800 15 H LYS 3 H LYS 3 4.504 -3.179 -0.443 16 HA LYS 3 HA LYS 3 6.260 -4.887 -2.029 17 HB2 LYS 3 2HB LYS 3 6.577 -2.464 -0.514 18 HB3 LYS 3 3HB LYS 3 7.701 -3.680 0.079 19 HG2 LYS 3 2HG LYS 3 8.815 -2.434 -1.603 20 HG3 LYS 3 3HG LYS 3 8.449 -4.023 -2.280 21 HD2 LYS 3 2HD LYS 3 7.664 -2.817 -4.016 22 HD3 LYS 3 3HD LYS 3 6.230 -2.654 -2.999 23 HE2 LYS 3 2HE LYS 3 6.672 -0.477 -2.490 24 HE3 LYS 3 3HE LYS 3 8.418 -0.690 -2.606 25 HZ1 LYS 3 3HZ LYS 3 6.640 0.303 -4.546 26 HZ2 LYS 3 1HZ LYS 3 7.361 -1.105 -5.146 27 HZ3 LYS 3 2HZ LYS 3 8.326 0.182 -4.623 28 H TYR 4 H TYR 4 4.990 -4.577 1.238 29 HA TYR 4 HA TYR 4 6.573 -6.680 2.342 30 HB2 TYR 4 2HB TYR 4 3.998 -6.092 3.646 31 HB3 TYR 4 3HB TYR 4 5.624 -6.108 4.317 32 HD1 TYR 4 HD2 TYR 4 7.045 -4.101 4.178 33 HD2 TYR 4 HD1 TYR 4 3.014 -4.064 2.815 34 HE1 TYR 4 HE2 TYR 4 7.070 -1.642 4.189 35 HE2 TYR 4 HE1 TYR 4 3.029 -1.605 2.820 36 HH TYR 4 HH TYR 4 5.969 0.213 3.551 37 H GLU 5 H GLU 5 3.141 -6.464 1.404 38 HA GLU 5 HA GLU 5 2.514 -9.155 1.896 39 HB2 GLU 5 2HB GLU 5 1.258 -7.224 -0.062 40 HB3 GLU 5 3HB GLU 5 0.555 -8.758 0.433 41 HG2 GLU 5 2HG GLU 5 0.945 -6.267 2.046 42 HG3 GLU 5 3HG GLU 5 -0.541 -7.159 1.724 43 H GLN 6 H GLN 6 4.579 -7.878 -0.375 44 HA GLN 6 HA GLN 6 4.063 -9.921 -2.395 45 HB2 GLN 6 2HB GLN 6 5.315 -7.305 -2.363 46 HB3 GLN 6 3HB GLN 6 6.350 -8.500 -3.132 47 HG2 GLN 6 2HG GLN 6 3.640 -8.778 -4.046 48 HG3 GLN 6 3HG GLN 6 4.206 -7.122 -4.263 49 HE21 GLN 6 1HE2 GLN 6 4.075 -10.130 -5.625 50 HE22 GLN 6 2HE2 GLN 6 5.342 -9.967 -6.788 51 H TYR 7 H TYR 7 6.465 -8.996 -0.002 52 HA TYR 7 HA TYR 7 8.107 -11.315 -0.721 53 HB2 TYR 7 2HB TYR 7 9.912 -10.254 0.229 54 HB3 TYR 7 3HB TYR 7 8.968 -8.855 -0.268 55 HD1 TYR 7 HD2 TYR 7 9.587 -11.077 2.657 56 HD2 TYR 7 HD1 TYR 7 8.392 -7.227 1.296 57 HE1 TYR 7 HE2 TYR 7 9.583 -10.265 4.978 58 HE2 TYR 7 HE1 TYR 7 8.386 -6.404 3.614 59 HH TYR 7 HH TYR 7 9.717 -7.222 5.861 60 H ILE 8 H ILE 8 5.860 -10.209 1.614 61 HA ILE 8 HA ILE 8 6.700 -12.091 3.659 62 HB ILE 8 HB ILE 8 5.656 -9.746 4.051 63 HG12 ILE 8 2HG1 ILE 8 4.256 -10.953 6.027 64 HG13 ILE 8 3HG1 ILE 8 5.265 -12.297 5.504 65 HG21 ILE 8 1HG2 ILE 8 3.636 -10.591 2.571 66 HG22 ILE 8 2HG2 ILE 8 3.055 -11.179 4.128 67 HG23 ILE 8 3HG2 ILE 8 3.396 -9.463 3.906 68 HD11 ILE 8 3HD1 ILE 8 5.965 -10.385 7.321 69 HD12 ILE 8 1HD1 ILE 8 7.084 -11.434 6.451 70 HD13 ILE 8 2HD1 ILE 8 6.742 -9.813 5.845 71 H LYS 9 H LYS 9 4.679 -12.073 0.932 72 HA LYS 9 HA LYS 9 2.772 -14.009 1.863 73 HB2 LYS 9 2HB LYS 9 2.035 -14.082 -0.482 74 HB3 LYS 9 3HB LYS 9 2.161 -12.430 0.108 75 HG2 LYS 9 2HG LYS 9 4.001 -11.960 -1.198 76 HG3 LYS 9 3HG LYS 9 4.455 -13.659 -1.353 77 HD2 LYS 9 2HD LYS 9 1.843 -12.803 -2.486 78 HD3 LYS 9 3HD LYS 9 3.312 -12.326 -3.340 79 HE2 LYS 9 2HE LYS 9 2.661 -15.156 -2.530 80 HE3 LYS 9 3HE LYS 9 2.318 -14.478 -4.121 81 HZ1 LYS 9 3HZ LYS 9 4.991 -14.820 -2.876 82 HZ2 LYS 9 1HZ LYS 9 4.719 -14.010 -4.336 83 HZ3 LYS 9 2HZ LYS 9 4.376 -15.661 -4.208 84 H TRP 10 H TRP 10 5.982 -14.203 1.027 85 HA TRP 10 HA TRP 10 6.021 -16.639 -0.437 86 HB2 TRP 10 2HB TRP 10 8.027 -14.938 0.950 87 HB3 TRP 10 3HB TRP 10 8.466 -16.619 0.658 88 HD1 TRP 10 HD1 TRP 10 8.383 -13.304 -1.006 89 HE1 TRP 10 HE1 TRP 10 8.963 -13.542 -3.502 90 HE3 TRP 10 HE3 TRP 10 8.028 -18.386 -1.441 91 HZ2 TRP 10 HZ2 TRP 10 9.233 -15.610 -5.404 92 HZ3 TRP 10 HZ3 TRP 10 8.462 -19.415 -3.634 93 HH2 TRP 10 HH2 TRP 10 9.051 -18.054 -5.573 94 HA PRO 11 HA PRO 11 7.044 -18.677 3.824 95 HB2 PRO 11 2HB PRO 11 6.679 -17.161 6.046 96 HB3 PRO 11 3HB PRO 11 8.210 -17.221 5.165 97 HG2 PRO 11 2HG PRO 11 6.037 -15.165 5.048 98 HG3 PRO 11 3HG PRO 11 7.795 -14.934 5.099 99 HD2 PRO 11 2HD PRO 11 6.370 -14.765 2.803 100 HD3 PRO 11 3HD PRO 11 8.043 -15.357 2.847 101 H TRP 12 H TRP 12 4.497 -16.206 4.064 102 HA TRP 12 HA TRP 12 2.723 -17.490 5.732 103 HB2 TRP 12 2HB TRP 12 2.116 -15.766 3.321 104 HB3 TRP 12 3HB TRP 12 0.936 -16.210 4.552 105 HD1 TRP 12 HD1 TRP 12 1.356 -13.205 4.224 106 HE1 TRP 12 HE1 TRP 12 2.489 -11.773 6.038 107 HE3 TRP 12 HE3 TRP 12 3.924 -16.884 6.673 108 HZ2 TRP 12 HZ2 TRP 12 4.241 -12.154 8.219 109 HZ3 TRP 12 HZ3 TRP 12 5.306 -16.267 8.613 110 HH2 TRP 12 HH2 TRP 12 5.460 -13.950 9.368 111 H TYR 13 H TYR 13 3.381 -18.102 2.349 112 HA TYR 13 HA TYR 13 1.238 -19.514 1.473 113 HB2 TYR 13 2HB TYR 13 4.118 -19.588 0.933 114 HB3 TYR 13 3HB TYR 13 3.298 -21.103 0.575 115 HD1 TYR 13 HD1 TYR 13 1.942 -17.658 0.251 116 HD2 TYR 13 HD2 TYR 13 3.312 -21.143 -1.770 117 HE1 TYR 13 HE1 TYR 13 1.157 -16.722 -1.884 118 HE2 TYR 13 HE2 TYR 13 2.532 -20.216 -3.910 119 HH TYR 13 HH TYR 13 0.699 -17.215 -4.053 120 H VAL 14 H VAL 14 3.973 -20.990 3.228 121 HA VAL 14 HA VAL 14 3.165 -23.556 3.481 122 HB VAL 14 HB VAL 14 4.342 -23.709 5.587 123 HG11 VAL 14 1HG1 VAL 14 5.582 -23.306 3.418 124 HG12 VAL 14 2HG1 VAL 14 5.776 -21.634 3.948 125 HG13 VAL 14 3HG1 VAL 14 6.470 -22.948 4.899 126 HG21 VAL 14 3HG2 VAL 14 3.912 -22.067 7.054 127 HG22 VAL 14 1HG2 VAL 14 5.249 -21.227 6.268 128 HG23 VAL 14 2HG2 VAL 14 3.587 -20.886 5.784 129 H TRP 15 H TRP 15 1.828 -20.793 5.181 130 HA TRP 15 HA TRP 15 0.093 -22.478 6.795 131 HB2 TRP 15 2HB TRP 15 0.944 -20.583 7.952 132 HB3 TRP 15 3HB TRP 15 0.517 -19.496 6.634 133 HD1 TRP 15 HD1 TRP 15 -1.469 -18.031 7.266 134 HE1 TRP 15 HE1 TRP 15 -3.613 -18.312 8.662 135 HE3 TRP 15 HE3 TRP 15 -0.818 -22.868 8.787 136 HZ2 TRP 15 HZ2 TRP 15 -4.862 -20.319 10.205 137 HZ3 TRP 15 HZ3 TRP 15 -2.534 -23.894 10.221 138 HH2 TRP 15 HH2 TRP 15 -4.513 -22.644 10.915 139 H LEU 16 H LEU 16 -0.331 -19.850 4.420 140 HA LEU 16 HA LEU 16 -2.882 -21.098 3.645 141 HB2 LEU 16 2HB LEU 16 -3.605 -19.226 4.815 142 HB3 LEU 16 3HB LEU 16 -2.267 -18.232 4.242 143 HG LEU 16 HG LEU 16 -4.170 -19.153 2.180 144 HD11 LEU 16 1HD1 LEU 16 -5.977 -18.561 3.362 145 HD12 LEU 16 2HD1 LEU 16 -5.444 -16.911 3.044 146 HD13 LEU 16 3HD1 LEU 16 -5.029 -17.693 4.569 147 HD21 LEU 16 3HD2 LEU 16 -2.156 -17.210 2.486 148 HD22 LEU 16 1HD2 LEU 16 -3.677 -16.338 2.296 149 HD23 LEU 16 2HD2 LEU 16 -3.173 -17.507 1.075 150 H GLY 17 H GLY 17 -2.836 -21.730 1.597 151 HA2 GLY 17 2HA GLY 17 -2.708 -21.226 -0.735 152 HA3 GLY 17 3HA GLY 17 -1.465 -20.037 -0.376 153 H PHE 18 H PHE 18 -0.555 -22.483 1.488 154 HA PHE 18 HA PHE 18 1.704 -23.187 0.097 155 HB2 PHE 18 2HB PHE 18 1.739 -25.249 1.545 156 HB3 PHE 18 3HB PHE 18 1.533 -23.735 2.420 157 HD1 PHE 18 HD2 PHE 18 -0.595 -23.174 3.454 158 HD2 PHE 18 HD1 PHE 18 -0.023 -26.876 1.434 159 HE1 PHE 18 HE2 PHE 18 -2.630 -24.062 4.514 160 HE2 PHE 18 HE1 PHE 18 -2.057 -27.771 2.490 161 HZ PHE 18 HZ PHE 18 -3.363 -26.364 4.033 Start of MODEL 10 1 H1 LEU 1 H LEU 1 0.741 -0.753 0.664 2 HA LEU 1 HA LEU 1 1.774 0.823 -1.601 3 HB2 LEU 1 2HB LEU 1 2.955 0.327 0.843 4 HB3 LEU 1 3HB LEU 1 3.711 -0.856 -0.222 5 HG LEU 1 HG LEU 1 5.068 1.146 -0.073 6 HD11 LEU 1 1HD1 LEU 1 5.065 -0.069 -2.180 7 HD12 LEU 1 2HD1 LEU 1 5.258 1.662 -2.456 8 HD13 LEU 1 3HD1 LEU 1 3.699 0.891 -2.748 9 HD21 LEU 1 3HD2 LEU 1 2.988 2.775 -1.448 10 HD22 LEU 1 1HD2 LEU 1 4.333 3.286 -0.428 11 HD23 LEU 1 2HD2 LEU 1 2.894 2.573 0.302 12 H GLY 2 H GLY 2 1.514 -2.442 -0.242 13 HA2 GLY 2 2HA GLY 2 1.063 -4.402 -1.430 14 HA3 GLY 2 3HA GLY 2 1.322 -3.525 -2.930 15 H LYS 3 H LYS 3 3.742 -3.154 -0.536 16 HA LYS 3 HA LYS 3 5.577 -4.744 -2.167 17 HB2 LYS 3 2HB LYS 3 5.787 -2.296 -0.675 18 HB3 LYS 3 3HB LYS 3 6.979 -3.447 -0.086 19 HG2 LYS 3 2HG LYS 3 6.649 -2.837 -3.006 20 HG3 LYS 3 3HG LYS 3 7.701 -1.891 -1.951 21 HD2 LYS 3 2HD LYS 3 9.032 -3.819 -1.444 22 HD3 LYS 3 3HD LYS 3 7.900 -4.881 -2.286 23 HE2 LYS 3 2HE LYS 3 9.305 -2.633 -3.696 24 HE3 LYS 3 3HE LYS 3 10.057 -4.216 -3.501 25 HZ1 LYS 3 3HZ LYS 3 7.426 -3.744 -4.794 26 HZ2 LYS 3 1HZ LYS 3 8.241 -5.223 -4.684 27 HZ3 LYS 3 2HZ LYS 3 8.881 -3.972 -5.625 28 H TYR 4 H TYR 4 4.336 -4.474 1.115 29 HA TYR 4 HA TYR 4 6.040 -6.483 2.213 30 HB2 TYR 4 2HB TYR 4 3.455 -6.018 3.547 31 HB3 TYR 4 3HB TYR 4 5.090 -5.945 4.196 32 HD1 TYR 4 HD2 TYR 4 6.403 -3.869 4.022 33 HD2 TYR 4 HD1 TYR 4 2.358 -4.051 2.715 34 HE1 TYR 4 HE2 TYR 4 6.301 -1.412 4.014 35 HE2 TYR 4 HE1 TYR 4 2.245 -1.594 2.702 36 HH TYR 4 HH TYR 4 4.767 0.361 2.650 37 H GLU 5 H GLU 5 2.592 -6.452 1.312 38 HA GLU 5 HA GLU 5 2.109 -9.167 1.836 39 HB2 GLU 5 2HB GLU 5 0.149 -8.856 0.275 40 HB3 GLU 5 3HB GLU 5 0.236 -7.723 1.616 41 HG2 GLU 5 2HG GLU 5 0.778 -5.946 0.261 42 HG3 GLU 5 3HG GLU 5 1.425 -6.978 -1.013 43 H GLN 6 H GLN 6 4.080 -7.807 -0.470 44 HA GLN 6 HA GLN 6 3.647 -9.892 -2.466 45 HB2 GLN 6 2HB GLN 6 4.522 -7.211 -2.577 46 HB3 GLN 6 3HB GLN 6 5.899 -8.202 -3.044 47 HG2 GLN 6 2HG GLN 6 4.682 -9.199 -4.824 48 HG3 GLN 6 3HG GLN 6 3.169 -8.486 -4.267 49 HE21 GLN 6 1HE2 GLN 6 6.286 -7.812 -5.713 50 HE22 GLN 6 2HE2 GLN 6 5.841 -6.305 -6.432 51 H TYR 7 H TYR 7 6.025 -8.820 -0.111 52 HA TYR 7 HA TYR 7 7.777 -11.059 -0.830 53 HB2 TYR 7 2HB TYR 7 9.537 -9.895 0.085 54 HB3 TYR 7 3HB TYR 7 8.514 -8.551 -0.411 55 HD1 TYR 7 HD2 TYR 7 9.294 -10.709 2.524 56 HD2 TYR 7 HD1 TYR 7 7.869 -6.943 1.148 57 HE1 TYR 7 HE2 TYR 7 9.279 -9.876 4.838 58 HE2 TYR 7 HE1 TYR 7 7.852 -6.100 3.458 59 HH TYR 7 HH TYR 7 8.448 -8.205 6.188 60 H ILE 8 H ILE 8 5.498 -10.053 1.517 61 HA ILE 8 HA ILE 8 6.463 -11.860 3.575 62 HB ILE 8 HB ILE 8 5.290 -9.573 3.950 63 HG12 ILE 8 2HG1 ILE 8 3.983 -10.834 5.955 64 HG13 ILE 8 3HG1 ILE 8 5.063 -12.124 5.437 65 HG21 ILE 8 1HG2 ILE 8 3.308 -10.546 2.502 66 HG22 ILE 8 2HG2 ILE 8 2.778 -11.156 4.068 67 HG23 ILE 8 3HG2 ILE 8 3.014 -9.425 3.831 68 HD11 ILE 8 3HD1 ILE 8 6.727 -9.948 5.573 69 HD12 ILE 8 1HD1 ILE 8 5.628 -9.699 6.929 70 HD13 ILE 8 2HD1 ILE 8 6.549 -11.199 6.803 71 H LYS 9 H LYS 9 4.417 -11.987 0.869 72 HA LYS 9 HA LYS 9 2.633 -14.019 1.841 73 HB2 LYS 9 2HB LYS 9 1.856 -14.149 -0.477 74 HB3 LYS 9 3HB LYS 9 1.935 -12.479 0.070 75 HG2 LYS 9 2HG LYS 9 3.625 -11.945 -1.352 76 HG3 LYS 9 3HG LYS 9 4.305 -13.574 -1.334 77 HD2 LYS 9 2HD LYS 9 3.355 -13.086 -3.514 78 HD3 LYS 9 3HD LYS 9 2.421 -14.353 -2.715 79 HE2 LYS 9 2HE LYS 9 1.278 -11.886 -1.963 80 HE3 LYS 9 3HE LYS 9 1.548 -11.814 -3.704 81 HZ1 LYS 9 3HZ LYS 9 -0.154 -13.655 -2.167 82 HZ2 LYS 9 1HZ LYS 9 0.472 -14.151 -3.658 83 HZ3 LYS 9 2HZ LYS 9 -0.516 -12.781 -3.569 84 H TRP 10 H TRP 10 5.839 -14.039 0.971 85 HA TRP 10 HA TRP 10 6.003 -16.484 -0.468 86 HB2 TRP 10 2HB TRP 10 7.923 -14.656 0.879 87 HB3 TRP 10 3HB TRP 10 8.454 -16.312 0.599 88 HD1 TRP 10 HD1 TRP 10 8.162 -13.025 -1.097 89 HE1 TRP 10 HE1 TRP 10 8.728 -13.256 -3.597 90 HE3 TRP 10 HE3 TRP 10 8.097 -18.123 -1.477 91 HZ2 TRP 10 HZ2 TRP 10 9.098 -15.325 -5.481 92 HZ3 TRP 10 HZ3 TRP 10 8.567 -19.148 -3.664 93 HH2 TRP 10 HH2 TRP 10 9.056 -17.777 -5.623 94 HA PRO 11 HA PRO 11 7.186 -18.414 3.802 95 HB2 PRO 11 2HB PRO 11 6.759 -16.897 6.012 96 HB3 PRO 11 3HB PRO 11 8.281 -16.879 5.115 97 HG2 PRO 11 2HG PRO 11 5.993 -14.953 5.001 98 HG3 PRO 11 3HG PRO 11 7.734 -14.620 5.031 99 HD2 PRO 11 2HD PRO 11 6.278 -14.558 2.749 100 HD3 PRO 11 3HD PRO 11 7.983 -15.053 2.780 101 H TRP 12 H TRP 12 4.505 -16.090 4.047 102 HA TRP 12 HA TRP 12 2.825 -17.454 5.747 103 HB2 TRP 12 2HB TRP 12 2.094 -15.796 3.325 104 HB3 TRP 12 3HB TRP 12 0.955 -16.292 4.574 105 HD1 TRP 12 HD1 TRP 12 1.199 -13.272 4.207 106 HE1 TRP 12 HE1 TRP 12 2.268 -11.757 5.993 107 HE3 TRP 12 HE3 TRP 12 3.999 -16.770 6.668 108 HZ2 TRP 12 HZ2 TRP 12 4.062 -12.012 8.157 109 HZ3 TRP 12 HZ3 TRP 12 5.364 -16.052 8.585 110 HH2 TRP 12 HH2 TRP 12 5.394 -13.722 9.312 111 H TYR 13 H TYR 13 3.480 -18.065 2.363 112 HA TYR 13 HA TYR 13 1.413 -19.608 1.528 113 HB2 TYR 13 2HB TYR 13 4.286 -19.522 0.955 114 HB3 TYR 13 3HB TYR 13 3.550 -21.086 0.622 115 HD1 TYR 13 HD1 TYR 13 1.997 -17.727 0.278 116 HD2 TYR 13 HD2 TYR 13 3.540 -21.151 -1.722 117 HE1 TYR 13 HE1 TYR 13 1.136 -16.861 -1.857 118 HE2 TYR 13 HE2 TYR 13 2.684 -20.293 -3.863 119 HH TYR 13 HH TYR 13 0.853 -17.255 -4.024 120 H VAL 14 H VAL 14 4.248 -20.905 3.265 121 HA VAL 14 HA VAL 14 3.591 -23.510 3.554 122 HB VAL 14 HB VAL 14 4.800 -23.572 5.647 123 HG11 VAL 14 1HG1 VAL 14 6.047 -23.205 3.533 124 HG12 VAL 14 2HG1 VAL 14 6.032 -21.473 3.868 125 HG13 VAL 14 3HG1 VAL 14 6.876 -22.575 4.956 126 HG21 VAL 14 3HG2 VAL 14 4.292 -21.942 7.103 127 HG22 VAL 14 1HG2 VAL 14 5.569 -21.035 6.292 128 HG23 VAL 14 2HG2 VAL 14 3.885 -20.796 5.825 129 H TRP 15 H TRP 15 2.117 -20.810 5.241 130 HA TRP 15 HA TRP 15 0.500 -22.573 6.894 131 HB2 TRP 15 2HB TRP 15 1.256 -20.618 8.018 132 HB3 TRP 15 3HB TRP 15 0.747 -19.573 6.695 133 HD1 TRP 15 HD1 TRP 15 -1.323 -18.229 7.324 134 HE1 TRP 15 HE1 TRP 15 -3.424 -18.619 8.760 135 HE3 TRP 15 HE3 TRP 15 -0.342 -22.985 8.924 136 HZ2 TRP 15 HZ2 TRP 15 -4.519 -20.671 10.360 137 HZ3 TRP 15 HZ3 TRP 15 -1.967 -24.090 10.405 138 HH2 TRP 15 HH2 TRP 15 -4.011 -22.955 11.108 139 H LEU 16 H LEU 16 -0.101 -20.002 4.496 140 HA LEU 16 HA LEU 16 -2.584 -21.402 3.764 141 HB2 LEU 16 2HB LEU 16 -3.401 -19.563 4.924 142 HB3 LEU 16 3HB LEU 16 -2.130 -18.499 4.324 143 HG LEU 16 HG LEU 16 -4.016 -19.557 2.307 144 HD11 LEU 16 1HD1 LEU 16 -5.707 -17.870 2.863 145 HD12 LEU 16 2HD1 LEU 16 -4.833 -17.493 4.347 146 HD13 LEU 16 3HD1 LEU 16 -5.549 -19.089 4.127 147 HD21 LEU 16 3HD2 LEU 16 -2.771 -18.030 1.244 148 HD22 LEU 16 1HD2 LEU 16 -2.256 -17.264 2.747 149 HD23 LEU 16 2HD2 LEU 16 -3.814 -16.846 2.033 150 H GLY 17 H GLY 17 -2.526 -22.053 1.723 151 HA2 GLY 17 2HA GLY 17 -2.454 -21.568 -0.615 152 HA3 GLY 17 3HA GLY 17 -1.278 -20.306 -0.284 153 H PHE 18 H PHE 18 -0.207 -22.675 1.595 154 HA PHE 18 HA PHE 18 2.074 -23.261 0.185 155 HB2 PHE 18 2HB PHE 18 2.243 -25.303 1.653 156 HB3 PHE 18 3HB PHE 18 1.960 -23.794 2.515 157 HD1 PHE 18 HD1 PHE 18 -0.184 -23.345 3.568 158 HD2 PHE 18 HD2 PHE 18 0.577 -27.030 1.579 159 HE1 PHE 18 HE1 PHE 18 -2.153 -24.337 4.660 160 HE2 PHE 18 HE2 PHE 18 -1.391 -28.028 2.667 161 HZ PHE 18 HZ PHE 18 -2.759 -26.681 4.210 Start of MODEL 11 1 H1 LEU 1 H LEU 1 1.689 0.077 1.049 2 HA LEU 1 HA LEU 1 1.390 0.795 -1.624 3 HB2 LEU 1 2HB LEU 1 3.602 0.237 0.199 4 HB3 LEU 1 3HB LEU 1 3.976 -0.117 -1.487 5 HG LEU 1 HG LEU 1 4.672 2.147 -0.766 6 HD11 LEU 1 1HD1 LEU 1 3.133 3.281 -2.650 7 HD12 LEU 1 2HD1 LEU 1 2.851 1.579 -3.015 8 HD13 LEU 1 3HD1 LEU 1 4.494 2.220 -3.013 9 HD21 LEU 1 3HD2 LEU 1 2.578 2.365 0.734 10 HD22 LEU 1 1HD2 LEU 1 1.781 2.922 -0.737 11 HD23 LEU 1 2HD2 LEU 1 3.178 3.795 -0.107 12 H GLY 2 H GLY 2 1.967 -2.341 -0.159 13 HA2 GLY 2 2HA GLY 2 1.245 -4.352 -1.225 14 HA3 GLY 2 3HA GLY 2 1.479 -3.571 -2.782 15 H LYS 3 H LYS 3 3.965 -3.096 -0.475 16 HA LYS 3 HA LYS 3 5.758 -4.746 -2.078 17 HB2 LYS 3 2HB LYS 3 6.007 -2.314 -0.565 18 HB3 LYS 3 3HB LYS 3 7.180 -3.489 0.014 19 HG2 LYS 3 2HG LYS 3 6.849 -2.562 -2.831 20 HG3 LYS 3 3HG LYS 3 8.140 -2.099 -1.720 21 HD2 LYS 3 2HD LYS 3 9.312 -3.847 -2.439 22 HD3 LYS 3 3HD LYS 3 8.091 -4.906 -1.730 23 HE2 LYS 3 2HE LYS 3 6.796 -4.723 -3.847 24 HE3 LYS 3 3HE LYS 3 8.134 -3.806 -4.538 25 HZ1 LYS 3 3HZ LYS 3 7.842 -6.542 -4.518 26 HZ2 LYS 3 1HZ LYS 3 9.052 -6.230 -3.378 27 HZ3 LYS 3 2HZ LYS 3 9.223 -5.673 -4.966 28 H TYR 4 H TYR 4 4.520 -4.483 1.206 29 HA TYR 4 HA TYR 4 6.191 -6.529 2.288 30 HB2 TYR 4 2HB TYR 4 3.614 -6.033 3.625 31 HB3 TYR 4 3HB TYR 4 5.249 -5.993 4.275 32 HD1 TYR 4 HD2 TYR 4 6.595 -3.937 4.121 33 HD2 TYR 4 HD1 TYR 4 2.549 -4.042 2.809 34 HE1 TYR 4 HE2 TYR 4 6.533 -1.478 4.134 35 HE2 TYR 4 HE1 TYR 4 2.476 -1.583 2.817 36 HH TYR 4 HH TYR 4 5.237 0.332 3.939 37 H GLU 5 H GLU 5 2.745 -6.434 1.383 38 HA GLU 5 HA GLU 5 2.218 -9.146 1.885 39 HB2 GLU 5 2HB GLU 5 0.266 -8.790 0.322 40 HB3 GLU 5 3HB GLU 5 0.367 -7.672 1.675 41 HG2 GLU 5 2HG GLU 5 0.948 -5.890 0.339 42 HG3 GLU 5 3HG GLU 5 1.569 -6.922 -0.948 43 H GLN 6 H GLN 6 4.214 -7.799 -0.408 44 HA GLN 6 HA GLN 6 3.749 -9.862 -2.420 45 HB2 GLN 6 2HB GLN 6 4.781 -7.192 -2.453 46 HB3 GLN 6 3HB GLN 6 6.010 -8.282 -3.081 47 HG2 GLN 6 2HG GLN 6 4.361 -9.175 -4.678 48 HG3 GLN 6 3HG GLN 6 3.184 -8.007 -4.079 49 HE21 GLN 6 1HE2 GLN 6 4.821 -8.521 -6.667 50 HE22 GLN 6 2HE2 GLN 6 5.346 -6.935 -7.105 51 H TYR 7 H TYR 7 6.142 -8.846 -0.055 52 HA TYR 7 HA TYR 7 7.859 -11.106 -0.789 53 HB2 TYR 7 2HB TYR 7 9.636 -9.978 0.134 54 HB3 TYR 7 3HB TYR 7 8.634 -8.614 -0.351 55 HD1 TYR 7 HD2 TYR 7 9.383 -10.807 2.566 56 HD2 TYR 7 HD1 TYR 7 8.013 -7.010 1.221 57 HE1 TYR 7 HE2 TYR 7 9.380 -9.992 4.886 58 HE2 TYR 7 HE1 TYR 7 8.008 -6.184 3.538 59 HH TYR 7 HH TYR 7 9.136 -6.729 5.688 60 H ILE 8 H ILE 8 5.591 -10.085 1.560 61 HA ILE 8 HA ILE 8 6.526 -11.920 3.608 62 HB ILE 8 HB ILE 8 5.385 -9.619 3.995 63 HG12 ILE 8 2HG1 ILE 8 4.057 -10.875 5.990 64 HG13 ILE 8 3HG1 ILE 8 5.121 -12.175 5.466 65 HG21 ILE 8 1HG2 ILE 8 3.393 -10.551 2.538 66 HG22 ILE 8 2HG2 ILE 8 2.852 -11.169 4.098 67 HG23 ILE 8 3HG2 ILE 8 3.111 -9.439 3.877 68 HD11 ILE 8 3HD1 ILE 8 5.847 -9.495 6.583 69 HD12 ILE 8 1HD1 ILE 8 6.287 -11.099 7.170 70 HD13 ILE 8 2HD1 ILE 8 7.008 -10.474 5.686 71 H LYS 9 H LYS 9 4.481 -11.997 0.898 72 HA LYS 9 HA LYS 9 2.669 -14.011 1.853 73 HB2 LYS 9 2HB LYS 9 1.884 -14.109 -0.460 74 HB3 LYS 9 3HB LYS 9 2.003 -12.442 0.090 75 HG2 LYS 9 2HG LYS 9 3.655 -11.933 -1.365 76 HG3 LYS 9 3HG LYS 9 4.368 -13.546 -1.293 77 HD2 LYS 9 2HD LYS 9 3.387 -14.034 -3.227 78 HD3 LYS 9 3HD LYS 9 1.812 -13.825 -2.459 79 HE2 LYS 9 2HE LYS 9 3.391 -11.498 -3.513 80 HE3 LYS 9 3HE LYS 9 2.311 -12.433 -4.546 81 HZ1 LYS 9 3HZ LYS 9 0.461 -11.835 -3.222 82 HZ2 LYS 9 1HZ LYS 9 1.314 -10.404 -3.518 83 HZ3 LYS 9 2HZ LYS 9 1.436 -11.166 -2.013 84 H TRP 10 H TRP 10 5.875 -14.069 0.986 85 HA TRP 10 HA TRP 10 6.006 -16.506 -0.472 86 HB2 TRP 10 2HB TRP 10 7.950 -14.716 0.891 87 HB3 TRP 10 3HB TRP 10 8.458 -16.377 0.598 88 HD1 TRP 10 HD1 TRP 10 8.214 -13.072 -1.072 89 HE1 TRP 10 HE1 TRP 10 8.779 -13.291 -3.574 90 HE3 TRP 10 HE3 TRP 10 8.079 -18.165 -1.493 91 HZ2 TRP 10 HZ2 TRP 10 9.121 -15.350 -5.474 92 HZ3 TRP 10 HZ3 TRP 10 8.536 -19.180 -3.687 93 HH2 TRP 10 HH2 TRP 10 9.046 -17.800 -5.635 94 HA PRO 11 HA PRO 11 7.158 -18.484 3.784 95 HB2 PRO 11 2HB PRO 11 6.750 -16.979 6.006 96 HB3 PRO 11 3HB PRO 11 8.274 -16.975 5.110 97 HG2 PRO 11 2HG PRO 11 6.012 -15.016 5.009 98 HG3 PRO 11 3HG PRO 11 7.758 -14.709 5.042 99 HD2 PRO 11 2HD PRO 11 6.305 -14.608 2.760 100 HD3 PRO 11 3HD PRO 11 8.002 -15.127 2.789 101 H TRP 12 H TRP 12 4.509 -16.125 4.044 102 HA TRP 12 HA TRP 12 2.809 -17.478 5.733 103 HB2 TRP 12 2HB TRP 12 2.103 -15.792 3.322 104 HB3 TRP 12 3HB TRP 12 0.956 -16.282 4.566 105 HD1 TRP 12 HD1 TRP 12 1.242 -13.263 4.221 106 HE1 TRP 12 HE1 TRP 12 2.330 -11.776 6.018 107 HE3 TRP 12 HE3 TRP 12 3.992 -16.817 6.659 108 HZ2 TRP 12 HZ2 TRP 12 4.118 -12.070 8.183 109 HZ3 TRP 12 HZ3 TRP 12 5.365 -16.131 8.583 110 HH2 TRP 12 HH2 TRP 12 5.426 -13.807 9.327 111 H TYR 13 H TYR 13 3.458 -18.073 2.345 112 HA TYR 13 HA TYR 13 1.370 -19.582 1.497 113 HB2 TYR 13 2HB TYR 13 4.245 -19.531 0.926 114 HB3 TYR 13 3HB TYR 13 3.487 -21.082 0.581 115 HD1 TYR 13 HD1 TYR 13 1.983 -17.699 0.262 116 HD2 TYR 13 HD2 TYR 13 3.476 -21.129 -1.764 117 HE1 TYR 13 HE1 TYR 13 1.135 -16.803 -1.866 118 HE2 TYR 13 HE2 TYR 13 2.633 -20.243 -3.898 119 HH TYR 13 HH TYR 13 1.429 -18.647 -4.881 120 H VAL 14 H VAL 14 4.187 -20.929 3.227 121 HA VAL 14 HA VAL 14 3.496 -23.528 3.496 122 HB VAL 14 HB VAL 14 4.703 -23.621 5.588 123 HG11 VAL 14 1HG1 VAL 14 6.790 -22.708 4.892 124 HG12 VAL 14 2HG1 VAL 14 5.925 -23.208 3.437 125 HG13 VAL 14 3HG1 VAL 14 5.994 -21.502 3.881 126 HG21 VAL 14 3HG2 VAL 14 4.214 -21.996 7.057 127 HG22 VAL 14 1HG2 VAL 14 5.504 -21.100 6.255 128 HG23 VAL 14 2HG2 VAL 14 3.824 -20.834 5.788 129 H TRP 15 H TRP 15 2.056 -20.820 5.202 130 HA TRP 15 HA TRP 15 0.415 -22.574 6.841 131 HB2 TRP 15 2HB TRP 15 1.196 -20.638 7.980 132 HB3 TRP 15 3HB TRP 15 0.702 -19.576 6.664 133 HD1 TRP 15 HD1 TRP 15 -1.496 -18.338 7.065 134 HE1 TRP 15 HE1 TRP 15 -3.546 -18.659 8.588 135 HE3 TRP 15 HE3 TRP 15 -0.232 -22.810 9.195 136 HZ2 TRP 15 HZ2 TRP 15 -4.501 -20.557 10.447 137 HZ3 TRP 15 HZ3 TRP 15 -1.768 -23.810 10.837 138 HH2 TRP 15 HH2 TRP 15 -3.857 -22.705 11.449 139 H LEU 16 H LEU 16 -0.150 -19.977 4.461 140 HA LEU 16 HA LEU 16 -2.652 -21.339 3.718 141 HB2 LEU 16 2HB LEU 16 -3.444 -19.496 4.891 142 HB3 LEU 16 3HB LEU 16 -2.158 -18.446 4.299 143 HG LEU 16 HG LEU 16 -3.218 -18.348 2.111 144 HD11 LEU 16 1HD1 LEU 16 -5.750 -19.328 2.388 145 HD12 LEU 16 2HD1 LEU 16 -4.788 -20.552 3.215 146 HD13 LEU 16 3HD1 LEU 16 -4.433 -20.135 1.538 147 HD21 LEU 16 3HD2 LEU 16 -5.102 -17.758 4.392 148 HD22 LEU 16 1HD2 LEU 16 -5.253 -17.120 2.754 149 HD23 LEU 16 2HD2 LEU 16 -3.861 -16.683 3.747 150 H GLY 17 H GLY 17 -2.601 -21.976 1.673 151 HA2 GLY 17 2HA GLY 17 -2.521 -21.476 -0.662 152 HA3 GLY 17 3HA GLY 17 -1.327 -20.232 -0.321 153 H PHE 18 H PHE 18 -0.289 -22.627 1.541 154 HA PHE 18 HA PHE 18 1.983 -23.236 0.127 155 HB2 PHE 18 2HB PHE 18 2.125 -25.289 1.582 156 HB3 PHE 18 3HB PHE 18 1.862 -23.782 2.454 157 HD1 PHE 18 HD2 PHE 18 -0.278 -23.312 3.509 158 HD2 PHE 18 HD1 PHE 18 0.436 -26.993 1.495 159 HE1 PHE 18 HE2 PHE 18 -2.259 -24.286 4.594 160 HE2 PHE 18 HE1 PHE 18 -1.546 -27.973 2.576 161 HZ PHE 18 HZ PHE 18 -2.895 -26.619 4.129 Start of MODEL 12 1 H1 LEU 1 H LEU 1 4.207 0.106 0.119 2 HA LEU 1 HA LEU 1 1.503 0.084 -0.832 3 HB2 LEU 1 2HB LEU 1 4.114 0.872 -2.102 4 HB3 LEU 1 3HB LEU 1 2.565 0.985 -2.934 5 HG LEU 1 HG LEU 1 3.351 2.489 -0.439 6 HD11 LEU 1 1HD1 LEU 1 4.507 3.300 -2.416 7 HD12 LEU 1 2HD1 LEU 1 3.281 4.455 -1.895 8 HD13 LEU 1 3HD1 LEU 1 2.976 3.412 -3.284 9 HD21 LEU 1 3HD2 LEU 1 1.152 3.727 -1.384 10 HD22 LEU 1 1HD2 LEU 1 1.117 2.482 -0.136 11 HD23 LEU 1 2HD2 LEU 1 0.781 2.057 -1.814 12 H GLY 2 H GLY 2 2.105 -2.507 -0.323 13 HA2 GLY 2 2HA GLY 2 1.572 -4.487 -1.453 14 HA3 GLY 2 3HA GLY 2 1.877 -3.672 -2.980 15 H LYS 3 H LYS 3 4.283 -3.302 -0.570 16 HA LYS 3 HA LYS 3 6.090 -4.982 -2.135 17 HB2 LYS 3 2HB LYS 3 6.350 -2.534 -0.651 18 HB3 LYS 3 3HB LYS 3 7.488 -3.721 -0.028 19 HG2 LYS 3 2HG LYS 3 8.623 -2.514 -1.706 20 HG3 LYS 3 3HG LYS 3 8.237 -4.090 -2.401 21 HD2 LYS 3 2HD LYS 3 6.156 -2.974 -3.361 22 HD3 LYS 3 3HD LYS 3 6.913 -1.440 -2.924 23 HE2 LYS 3 2HE LYS 3 8.936 -2.257 -4.242 24 HE3 LYS 3 3HE LYS 3 7.874 -3.512 -4.878 25 HZ1 LYS 3 3HZ LYS 3 7.002 -0.714 -5.024 26 HZ2 LYS 3 1HZ LYS 3 6.647 -2.007 -6.056 27 HZ3 LYS 3 2HZ LYS 3 8.163 -1.260 -6.127 28 H TYR 4 H TYR 4 4.785 -4.653 1.116 29 HA TYR 4 HA TYR 4 6.394 -6.713 2.261 30 HB2 TYR 4 2HB TYR 4 3.797 -6.154 3.534 31 HB3 TYR 4 3HB TYR 4 5.418 -6.133 4.220 32 HD1 TYR 4 HD1 TYR 4 6.803 -4.104 4.072 33 HD2 TYR 4 HD2 TYR 4 2.787 -4.154 2.668 34 HE1 TYR 4 HE1 TYR 4 6.787 -1.645 4.050 35 HE2 TYR 4 HE2 TYR 4 2.760 -1.695 2.642 36 HH TYR 4 HH TYR 4 5.028 0.169 2.466 37 H GLU 5 H GLU 5 2.971 -6.569 1.279 38 HA GLU 5 HA GLU 5 2.384 -9.264 1.804 39 HB2 GLU 5 2HB GLU 5 1.116 -7.393 -0.205 40 HB3 GLU 5 3HB GLU 5 0.432 -8.922 0.327 41 HG2 GLU 5 2HG GLU 5 0.699 -7.817 2.705 42 HG3 GLU 5 3HG GLU 5 0.635 -6.332 1.759 43 H GLN 6 H GLN 6 4.454 -7.983 -0.461 44 HA GLN 6 HA GLN 6 3.997 -10.064 -2.456 45 HB2 GLN 6 2HB GLN 6 5.043 -7.413 -2.518 46 HB3 GLN 6 3HB GLN 6 6.306 -8.511 -3.058 47 HG2 GLN 6 2HG GLN 6 4.564 -9.496 -4.623 48 HG3 GLN 6 3HG GLN 6 3.580 -8.087 -4.232 49 HE21 GLN 6 1HE2 GLN 6 4.640 -5.964 -4.571 50 HE22 GLN 6 2HE2 GLN 6 5.674 -5.790 -5.944 51 H TYR 7 H TYR 7 6.354 -9.060 -0.052 52 HA TYR 7 HA TYR 7 8.046 -11.360 -0.718 53 HB2 TYR 7 2HB TYR 7 9.822 -10.251 0.230 54 HB3 TYR 7 3HB TYR 7 8.856 -8.877 -0.295 55 HD1 TYR 7 HD2 TYR 7 9.498 -11.043 2.667 56 HD2 TYR 7 HD1 TYR 7 8.230 -7.240 1.242 57 HE1 TYR 7 HE2 TYR 7 9.459 -10.198 4.976 58 HE2 TYR 7 HE1 TYR 7 8.189 -6.383 3.547 59 HH TYR 7 HH TYR 7 7.891 -7.599 5.957 60 H ILE 8 H ILE 8 5.746 -10.266 1.568 61 HA ILE 8 HA ILE 8 6.602 -12.091 3.658 62 HB ILE 8 HB ILE 8 5.495 -9.765 3.991 63 HG12 ILE 8 2HG1 ILE 8 4.100 -10.970 5.972 64 HG13 ILE 8 3HG1 ILE 8 5.151 -12.297 5.488 65 HG21 ILE 8 1HG2 ILE 8 3.518 -10.681 2.502 66 HG22 ILE 8 2HG2 ILE 8 2.932 -11.267 4.057 67 HG23 ILE 8 3HG2 ILE 8 3.228 -9.545 3.819 68 HD11 ILE 8 3HD1 ILE 8 6.875 -10.166 5.652 69 HD12 ILE 8 1HD1 ILE 8 5.756 -9.888 6.986 70 HD13 ILE 8 2HD1 ILE 8 6.638 -11.412 6.877 71 H LYS 9 H LYS 9 4.617 -12.168 0.905 72 HA LYS 9 HA LYS 9 2.747 -14.136 1.845 73 HB2 LYS 9 2HB LYS 9 2.014 -14.251 -0.484 74 HB3 LYS 9 3HB LYS 9 2.149 -12.580 0.047 75 HG2 LYS 9 2HG LYS 9 3.843 -12.118 -1.376 76 HG3 LYS 9 3HG LYS 9 4.525 -13.742 -1.267 77 HD2 LYS 9 2HD LYS 9 3.590 -14.224 -3.225 78 HD3 LYS 9 3HD LYS 9 2.001 -14.010 -2.488 79 HE2 LYS 9 2HE LYS 9 3.622 -11.717 -3.569 80 HE3 LYS 9 3HE LYS 9 2.483 -12.630 -4.559 81 HZ1 LYS 9 3HZ LYS 9 1.570 -10.563 -3.546 82 HZ2 LYS 9 1HZ LYS 9 1.732 -11.285 -2.024 83 HZ3 LYS 9 2HZ LYS 9 0.694 -11.962 -3.176 84 H TRP 10 H TRP 10 5.971 -14.264 1.052 85 HA TRP 10 HA TRP 10 6.089 -16.722 -0.371 86 HB2 TRP 10 2HB TRP 10 8.035 -14.949 1.013 87 HB3 TRP 10 3HB TRP 10 8.519 -16.623 0.753 88 HD1 TRP 10 HD1 TRP 10 8.373 -13.338 -0.966 89 HE1 TRP 10 HE1 TRP 10 8.990 -13.601 -3.450 90 HE3 TRP 10 HE3 TRP 10 8.153 -18.433 -1.321 91 HZ2 TRP 10 HZ2 TRP 10 9.338 -15.692 -5.314 92 HZ3 TRP 10 HZ3 TRP 10 8.642 -19.486 -3.490 93 HH2 TRP 10 HH2 TRP 10 9.221 -18.142 -5.445 94 HA PRO 11 HA PRO 11 7.108 -18.663 3.936 95 HB2 PRO 11 2HB PRO 11 6.678 -17.120 6.128 96 HB3 PRO 11 3HB PRO 11 8.221 -17.156 5.267 97 HG2 PRO 11 2HG PRO 11 5.999 -15.158 5.089 98 HG3 PRO 11 3HG PRO 11 7.749 -14.882 5.158 99 HD2 PRO 11 2HD PRO 11 6.350 -14.786 2.842 100 HD3 PRO 11 3HD PRO 11 8.037 -15.336 2.917 101 H TRP 12 H TRP 12 4.498 -16.252 4.106 102 HA TRP 12 HA TRP 12 2.736 -17.551 5.772 103 HB2 TRP 12 2HB TRP 12 2.115 -15.886 3.324 104 HB3 TRP 12 3HB TRP 12 0.932 -16.337 4.549 105 HD1 TRP 12 HD1 TRP 12 1.281 -13.329 4.171 106 HE1 TRP 12 HE1 TRP 12 2.356 -11.838 5.973 107 HE3 TRP 12 HE3 TRP 12 3.909 -16.900 6.717 108 HZ2 TRP 12 HZ2 TRP 12 4.090 -12.136 8.181 109 HZ3 TRP 12 HZ3 TRP 12 5.251 -16.214 8.662 110 HH2 TRP 12 HH2 TRP 12 5.338 -13.881 9.377 111 H TYR 13 H TYR 13 3.450 -18.204 2.408 112 HA TYR 13 HA TYR 13 1.354 -19.686 1.533 113 HB2 TYR 13 2HB TYR 13 4.242 -19.695 1.027 114 HB3 TYR 13 3HB TYR 13 3.463 -21.236 0.685 115 HD1 TYR 13 HD1 TYR 13 2.028 -17.831 0.288 116 HD2 TYR 13 HD2 TYR 13 3.506 -21.314 -1.659 117 HE1 TYR 13 HE1 TYR 13 1.246 -16.950 -1.871 118 HE2 TYR 13 HE2 TYR 13 2.728 -20.442 -3.823 119 HH TYR 13 HH TYR 13 0.610 -17.813 -4.090 120 H VAL 14 H VAL 14 4.105 -21.061 3.344 121 HA VAL 14 HA VAL 14 3.359 -23.642 3.631 122 HB VAL 14 HB VAL 14 4.516 -23.730 5.752 123 HG11 VAL 14 1HG1 VAL 14 5.893 -21.655 4.059 124 HG12 VAL 14 2HG1 VAL 14 6.635 -22.883 5.086 125 HG13 VAL 14 3HG1 VAL 14 5.787 -23.358 3.614 126 HG21 VAL 14 3HG2 VAL 14 4.025 -22.076 7.186 127 HG22 VAL 14 1HG2 VAL 14 5.350 -21.215 6.403 128 HG23 VAL 14 2HG2 VAL 14 3.686 -20.925 5.894 129 H TRP 15 H TRP 15 1.932 -20.886 5.268 130 HA TRP 15 HA TRP 15 0.222 -22.587 6.891 131 HB2 TRP 15 2HB TRP 15 1.013 -20.650 8.023 132 HB3 TRP 15 3HB TRP 15 0.569 -19.598 6.682 133 HD1 TRP 15 HD1 TRP 15 -1.484 -18.194 7.233 134 HE1 TRP 15 HE1 TRP 15 -3.624 -18.504 8.629 135 HE3 TRP 15 HE3 TRP 15 -0.663 -22.945 8.934 136 HZ2 TRP 15 HZ2 TRP 15 -4.807 -20.498 10.239 137 HZ3 TRP 15 HZ3 TRP 15 -2.348 -23.981 10.397 138 HH2 TRP 15 HH2 TRP 15 -4.376 -22.781 11.036 139 H LEU 16 H LEU 16 -0.241 -20.012 4.466 140 HA LEU 16 HA LEU 16 -2.750 -21.338 3.683 141 HB2 LEU 16 2HB LEU 16 -3.533 -19.466 4.813 142 HB3 LEU 16 3HB LEU 16 -2.215 -18.447 4.238 143 HG LEU 16 HG LEU 16 -3.236 -18.451 1.989 144 HD11 LEU 16 1HD1 LEU 16 -5.606 -19.774 3.288 145 HD12 LEU 16 2HD1 LEU 16 -4.422 -20.638 2.308 146 HD13 LEU 16 3HD1 LEU 16 -5.394 -19.355 1.588 147 HD21 LEU 16 3HD2 LEU 16 -5.456 -17.569 3.724 148 HD22 LEU 16 1HD2 LEU 16 -4.559 -16.688 2.487 149 HD23 LEU 16 2HD2 LEU 16 -3.863 -16.907 4.093 150 H GLY 17 H GLY 17 -2.664 -22.003 1.648 151 HA2 GLY 17 2HA GLY 17 -2.522 -21.536 -0.691 152 HA3 GLY 17 3HA GLY 17 -1.314 -20.309 -0.339 153 H PHE 18 H PHE 18 -0.364 -22.699 1.578 154 HA PHE 18 HA PHE 18 1.930 -23.367 0.226 155 HB2 PHE 18 2HB PHE 18 2.000 -25.403 1.709 156 HB3 PHE 18 3HB PHE 18 1.745 -23.881 2.555 157 HD1 PHE 18 HD1 PHE 18 -0.409 -23.357 3.554 158 HD2 PHE 18 HD2 PHE 18 0.281 -27.077 1.605 159 HE1 PHE 18 HE1 PHE 18 -2.433 -24.279 4.606 160 HE2 PHE 18 HE2 PHE 18 -1.742 -28.005 2.653 161 HZ PHE 18 HZ PHE 18 -3.103 -26.606 4.155 Start of MODEL 13 1 H1 LEU 1 H LEU 1 3.692 0.046 0.722 2 HA LEU 1 HA LEU 1 1.522 0.220 -1.027 3 HB2 LEU 1 2HB LEU 1 4.469 0.650 -1.433 4 HB3 LEU 1 3HB LEU 1 3.287 0.940 -2.708 5 HG LEU 1 HG LEU 1 2.665 2.311 -0.201 6 HD11 LEU 1 1HD1 LEU 1 5.328 2.622 -1.475 7 HD12 LEU 1 2HD1 LEU 1 4.850 2.798 0.213 8 HD13 LEU 1 3HD1 LEU 1 4.487 4.078 -0.944 9 HD21 LEU 1 3HD2 LEU 1 1.396 3.085 -1.925 10 HD22 LEU 1 1HD2 LEU 1 2.663 2.822 -3.124 11 HD23 LEU 1 2HD2 LEU 1 2.746 4.216 -2.047 12 H GLY 2 H GLY 2 1.760 -2.481 -0.427 13 HA2 GLY 2 2HA GLY 2 1.445 -4.460 -1.578 14 HA3 GLY 2 3HA GLY 2 1.769 -3.594 -3.072 15 H LYS 3 H LYS 3 4.124 -3.271 -0.607 16 HA LYS 3 HA LYS 3 5.968 -4.914 -2.178 17 HB2 LYS 3 2HB LYS 3 6.193 -2.460 -0.697 18 HB3 LYS 3 3HB LYS 3 7.341 -3.634 -0.067 19 HG2 LYS 3 2HG LYS 3 8.658 -2.830 -1.693 20 HG3 LYS 3 3HG LYS 3 7.745 -3.944 -2.713 21 HD2 LYS 3 2HD LYS 3 6.321 -1.464 -2.437 22 HD3 LYS 3 3HD LYS 3 7.971 -1.158 -2.986 23 HE2 LYS 3 2HE LYS 3 6.950 -1.512 -4.998 24 HE3 LYS 3 3HE LYS 3 7.430 -3.164 -4.613 25 HZ1 LYS 3 3HZ LYS 3 4.848 -2.156 -5.049 26 HZ2 LYS 3 1HZ LYS 3 4.935 -2.709 -3.453 27 HZ3 LYS 3 2HZ LYS 3 5.315 -3.751 -4.730 28 H TYR 4 H TYR 4 4.641 -4.591 1.066 29 HA TYR 4 HA TYR 4 6.265 -6.631 2.225 30 HB2 TYR 4 2HB TYR 4 3.656 -6.096 3.482 31 HB3 TYR 4 3HB TYR 4 5.272 -6.057 4.177 32 HD1 TYR 4 HD2 TYR 4 6.638 -4.013 4.027 33 HD2 TYR 4 HD1 TYR 4 2.629 -4.110 2.606 34 HE1 TYR 4 HE2 TYR 4 6.594 -1.554 4.000 35 HE2 TYR 4 HE1 TYR 4 2.575 -1.651 2.574 36 HH TYR 4 HH TYR 4 5.303 0.250 2.764 37 H GLU 5 H GLU 5 2.847 -6.526 1.223 38 HA GLU 5 HA GLU 5 2.285 -9.225 1.752 39 HB2 GLU 5 2HB GLU 5 1.008 -7.379 -0.274 40 HB3 GLU 5 3HB GLU 5 0.336 -8.910 0.271 41 HG2 GLU 5 2HG GLU 5 0.967 -6.724 2.214 42 HG3 GLU 5 3HG GLU 5 -0.545 -6.735 1.307 43 H GLN 6 H GLN 6 4.354 -7.928 -0.505 44 HA GLN 6 HA GLN 6 3.930 -10.019 -2.498 45 HB2 GLN 6 2HB GLN 6 4.578 -7.433 -2.833 46 HB3 GLN 6 3HB GLN 6 6.195 -8.120 -2.754 47 HG2 GLN 6 2HG GLN 6 4.338 -9.550 -4.514 48 HG3 GLN 6 3HG GLN 6 4.711 -7.900 -5.008 49 HE21 GLN 6 1HE2 GLN 6 5.994 -8.295 -6.720 50 HE22 GLN 6 2HE2 GLN 6 7.502 -9.135 -6.638 51 H TYR 7 H TYR 7 6.264 -8.984 -0.083 52 HA TYR 7 HA TYR 7 7.983 -11.267 -0.734 53 HB2 TYR 7 2HB TYR 7 9.743 -10.137 0.221 54 HB3 TYR 7 3HB TYR 7 8.765 -8.774 -0.312 55 HD1 TYR 7 HD2 TYR 7 9.415 -10.926 2.657 56 HD2 TYR 7 HD1 TYR 7 8.112 -7.141 1.217 57 HE1 TYR 7 HE2 TYR 7 9.354 -10.076 4.964 58 HE2 TYR 7 HE1 TYR 7 8.049 -6.279 3.520 59 HH TYR 7 HH TYR 7 8.145 -6.840 5.699 60 H ILE 8 H ILE 8 5.659 -10.193 1.536 61 HA ILE 8 HA ILE 8 6.523 -12.003 3.636 62 HB ILE 8 HB ILE 8 5.389 -9.688 3.957 63 HG12 ILE 8 2HG1 ILE 8 3.996 -10.904 5.932 64 HG13 ILE 8 3HG1 ILE 8 5.064 -12.220 5.458 65 HG21 ILE 8 1HG2 ILE 8 3.431 -10.629 2.458 66 HG22 ILE 8 2HG2 ILE 8 2.842 -11.218 4.012 67 HG23 ILE 8 3HG2 ILE 8 3.121 -9.493 3.771 68 HD11 ILE 8 3HD1 ILE 8 5.716 -10.434 7.305 69 HD12 ILE 8 1HD1 ILE 8 6.911 -11.186 6.249 70 HD13 ILE 8 2HD1 ILE 8 6.302 -9.571 5.883 71 H LYS 9 H LYS 9 4.555 -12.109 0.872 72 HA LYS 9 HA LYS 9 2.701 -14.094 1.806 73 HB2 LYS 9 2HB LYS 9 1.982 -14.223 -0.527 74 HB3 LYS 9 3HB LYS 9 2.097 -12.549 0.000 75 HG2 LYS 9 2HG LYS 9 3.787 -12.073 -1.420 76 HG3 LYS 9 3HG LYS 9 4.495 -13.685 -1.293 77 HD2 LYS 9 2HD LYS 9 3.702 -13.778 -3.435 78 HD3 LYS 9 3HD LYS 9 2.282 -14.368 -2.568 79 HE2 LYS 9 2HE LYS 9 2.174 -11.528 -2.634 80 HE3 LYS 9 3HE LYS 9 2.512 -12.103 -4.266 81 HZ1 LYS 9 3HZ LYS 9 0.306 -12.368 -4.362 82 HZ2 LYS 9 1HZ LYS 9 0.112 -12.361 -2.681 83 HZ3 LYS 9 2HZ LYS 9 0.574 -13.782 -3.473 84 H TRP 10 H TRP 10 5.930 -14.189 1.032 85 HA TRP 10 HA TRP 10 6.084 -16.649 -0.384 86 HB2 TRP 10 2HB TRP 10 8.002 -14.852 1.006 87 HB3 TRP 10 3HB TRP 10 8.505 -16.521 0.754 88 HD1 TRP 10 HD1 TRP 10 8.333 -13.242 -0.975 89 HE1 TRP 10 HE1 TRP 10 8.968 -13.505 -3.455 90 HE3 TRP 10 HE3 TRP 10 8.172 -18.341 -1.317 91 HZ2 TRP 10 HZ2 TRP 10 9.349 -15.597 -5.312 92 HZ3 TRP 10 HZ3 TRP 10 8.684 -19.394 -3.481 93 HH2 TRP 10 HH2 TRP 10 9.260 -18.049 -5.436 94 HA PRO 11 HA PRO 11 7.099 -18.568 3.934 95 HB2 PRO 11 2HB PRO 11 6.639 -17.024 6.120 96 HB3 PRO 11 3HB PRO 11 8.188 -17.046 5.268 97 HG2 PRO 11 2HG PRO 11 5.945 -15.073 5.071 98 HG3 PRO 11 3HG PRO 11 7.692 -14.777 5.149 99 HD2 PRO 11 2HD PRO 11 6.305 -14.703 2.825 100 HD3 PRO 11 3HD PRO 11 7.997 -15.234 2.911 101 H TRP 12 H TRP 12 4.462 -16.186 4.082 102 HA TRP 12 HA TRP 12 2.704 -17.500 5.743 103 HB2 TRP 12 2HB TRP 12 2.080 -15.847 3.287 104 HB3 TRP 12 3HB TRP 12 0.895 -16.308 4.506 105 HD1 TRP 12 HD1 TRP 12 1.214 -13.297 4.122 106 HE1 TRP 12 HE1 TRP 12 2.262 -11.790 5.926 107 HE3 TRP 12 HE3 TRP 12 3.865 -16.833 6.692 108 HZ2 TRP 12 HZ2 TRP 12 3.986 -12.064 8.145 109 HZ3 TRP 12 HZ3 TRP 12 5.188 -16.127 8.643 110 HH2 TRP 12 HH2 TRP 12 5.246 -13.792 9.353 111 H TYR 13 H TYR 13 3.445 -18.153 2.385 112 HA TYR 13 HA TYR 13 1.370 -19.659 1.501 113 HB2 TYR 13 2HB TYR 13 4.261 -19.639 1.012 114 HB3 TYR 13 3HB TYR 13 3.501 -21.189 0.669 115 HD1 TYR 13 HD1 TYR 13 2.032 -17.801 0.254 116 HD2 TYR 13 HD2 TYR 13 3.557 -21.274 -1.673 117 HE1 TYR 13 HE1 TYR 13 1.252 -16.934 -1.911 118 HE2 TYR 13 HE2 TYR 13 2.783 -20.416 -3.845 119 HH TYR 13 HH TYR 13 0.798 -17.542 -4.082 120 H VAL 14 H VAL 14 4.125 -21.001 3.331 121 HA VAL 14 HA VAL 14 3.406 -23.589 3.621 122 HB VAL 14 HB VAL 14 4.551 -23.658 5.749 123 HG11 VAL 14 1HG1 VAL 14 5.951 -21.556 4.120 124 HG12 VAL 14 2HG1 VAL 14 6.660 -22.861 5.073 125 HG13 VAL 14 3HG1 VAL 14 5.800 -23.227 3.576 126 HG21 VAL 14 3HG2 VAL 14 4.035 -22.006 7.176 127 HG22 VAL 14 1HG2 VAL 14 5.354 -21.132 6.397 128 HG23 VAL 14 2HG2 VAL 14 3.690 -20.862 5.879 129 H TRP 15 H TRP 15 1.940 -20.844 5.242 130 HA TRP 15 HA TRP 15 0.239 -22.559 6.861 131 HB2 TRP 15 2HB TRP 15 1.002 -20.611 7.992 132 HB3 TRP 15 3HB TRP 15 0.555 -19.567 6.646 133 HD1 TRP 15 HD1 TRP 15 -1.614 -18.274 7.013 134 HE1 TRP 15 HE1 TRP 15 -3.721 -18.567 8.462 135 HE3 TRP 15 HE3 TRP 15 -0.520 -22.796 9.130 136 HZ2 TRP 15 HZ2 TRP 15 -4.779 -20.465 10.264 137 HZ3 TRP 15 HZ3 TRP 15 -2.131 -23.781 10.707 138 HH2 TRP 15 HH2 TRP 15 -4.216 -22.638 11.261 139 H LEU 16 H LEU 16 -0.238 -19.996 4.426 140 HA LEU 16 HA LEU 16 -2.728 -21.350 3.632 141 HB2 LEU 16 2HB LEU 16 -3.538 -19.484 4.753 142 HB3 LEU 16 3HB LEU 16 -2.227 -18.453 4.182 143 HG LEU 16 HG LEU 16 -4.056 -19.482 2.106 144 HD11 LEU 16 1HD1 LEU 16 -5.771 -17.814 2.604 145 HD12 LEU 16 2HD1 LEU 16 -4.943 -17.409 4.107 146 HD13 LEU 16 3HD1 LEU 16 -5.643 -19.013 3.892 147 HD21 LEU 16 3HD2 LEU 16 -2.354 -17.147 2.657 148 HD22 LEU 16 1HD2 LEU 16 -3.852 -16.806 1.789 149 HD23 LEU 16 2HD2 LEU 16 -2.699 -17.971 1.136 150 H GLY 17 H GLY 17 -2.623 -22.019 1.599 151 HA2 GLY 17 2HA GLY 17 -2.473 -21.557 -0.740 152 HA3 GLY 17 3HA GLY 17 -1.280 -20.316 -0.384 153 H PHE 18 H PHE 18 -0.315 -22.691 1.544 154 HA PHE 18 HA PHE 18 1.993 -23.338 0.207 155 HB2 PHE 18 2HB PHE 18 2.077 -25.369 1.695 156 HB3 PHE 18 3HB PHE 18 1.800 -23.847 2.536 157 HD1 PHE 18 HD1 PHE 18 -0.364 -23.344 3.522 158 HD2 PHE 18 HD2 PHE 18 0.377 -27.062 1.587 159 HE1 PHE 18 HE1 PHE 18 -2.384 -24.286 4.565 160 HE2 PHE 18 HE2 PHE 18 -1.642 -28.009 2.625 161 HZ PHE 18 HZ PHE 18 -3.026 -26.621 4.116 Start of MODEL 14 1 H1 LEU 1 H LEU 1 4.184 1.354 -1.734 2 HA LEU 1 HA LEU 1 2.564 -0.346 -0.333 3 HB2 LEU 1 2HB LEU 1 2.040 1.794 -1.719 4 HB3 LEU 1 3HB LEU 1 1.674 0.649 -3.008 5 HG LEU 1 HG LEU 1 0.345 0.492 -0.317 6 HD11 LEU 1 1HD1 LEU 1 -1.539 1.587 -1.918 7 HD12 LEU 1 2HD1 LEU 1 -0.093 2.416 -2.493 8 HD13 LEU 1 3HD1 LEU 1 -0.539 2.502 -0.789 9 HD21 LEU 1 3HD2 LEU 1 0.210 -1.480 -1.749 10 HD22 LEU 1 1HD2 LEU 1 -0.429 -0.491 -3.062 11 HD23 LEU 1 2HD2 LEU 1 -1.367 -0.706 -1.583 12 H GLY 2 H GLY 2 2.514 -2.495 -0.385 13 HA2 GLY 2 2HA GLY 2 1.807 -4.522 -1.367 14 HA3 GLY 2 3HA GLY 2 2.068 -3.816 -2.955 15 H LYS 3 H LYS 3 4.579 -3.351 -0.674 16 HA LYS 3 HA LYS 3 6.307 -5.113 -2.220 17 HB2 LYS 3 2HB LYS 3 6.645 -2.671 -0.740 18 HB3 LYS 3 3HB LYS 3 7.765 -3.885 -0.135 19 HG2 LYS 3 2HG LYS 3 9.102 -3.283 -1.803 20 HG3 LYS 3 3HG LYS 3 7.981 -4.133 -2.870 21 HD2 LYS 3 2HD LYS 3 7.969 -2.103 -3.900 22 HD3 LYS 3 3HD LYS 3 6.694 -1.808 -2.715 23 HE2 LYS 3 2HE LYS 3 8.601 -0.972 -1.198 24 HE3 LYS 3 3HE LYS 3 9.551 -0.895 -2.682 25 HZ1 LYS 3 3HZ LYS 3 7.237 0.351 -3.351 26 HZ2 LYS 3 1HZ LYS 3 8.675 1.125 -2.908 27 HZ3 LYS 3 2HZ LYS 3 7.471 0.850 -1.751 28 H TYR 4 H TYR 4 5.057 -4.750 1.050 29 HA TYR 4 HA TYR 4 6.633 -6.847 2.174 30 HB2 TYR 4 2HB TYR 4 4.069 -6.225 3.483 31 HB3 TYR 4 3HB TYR 4 5.699 -6.242 4.147 32 HD1 TYR 4 HD2 TYR 4 7.131 -4.247 3.972 33 HD2 TYR 4 HD1 TYR 4 3.093 -4.203 2.630 34 HE1 TYR 4 HE2 TYR 4 7.171 -1.788 3.949 35 HE2 TYR 4 HE1 TYR 4 3.123 -1.744 2.602 36 HH TYR 4 HH TYR 4 4.329 0.094 3.578 37 H GLU 5 H GLU 5 3.202 -6.623 1.239 38 HA GLU 5 HA GLU 5 2.558 -9.302 1.777 39 HB2 GLU 5 2HB GLU 5 1.311 -7.387 -0.202 40 HB3 GLU 5 3HB GLU 5 0.601 -8.914 0.304 41 HG2 GLU 5 2HG GLU 5 1.209 -6.596 2.124 42 HG3 GLU 5 3HG GLU 5 -0.376 -6.985 1.459 43 H GLN 6 H GLN 6 4.626 -8.074 -0.518 44 HA GLN 6 HA GLN 6 4.093 -10.147 -2.504 45 HB2 GLN 6 2HB GLN 6 5.441 -7.553 -2.492 46 HB3 GLN 6 3HB GLN 6 6.350 -8.797 -3.340 47 HG2 GLN 6 2HG GLN 6 4.179 -9.295 -4.580 48 HG3 GLN 6 3HG GLN 6 3.602 -7.761 -3.932 49 HE21 GLN 6 1HE2 GLN 6 6.429 -9.108 -5.601 50 HE22 GLN 6 2HE2 GLN 6 6.660 -7.762 -6.659 51 H TYR 7 H TYR 7 6.507 -9.194 -0.135 52 HA TYR 7 HA TYR 7 8.134 -11.534 -0.820 53 HB2 TYR 7 2HB TYR 7 9.950 -10.466 0.100 54 HB3 TYR 7 3HB TYR 7 9.009 -9.069 -0.413 55 HD1 TYR 7 HD2 TYR 7 9.646 -11.246 2.542 56 HD2 TYR 7 HD1 TYR 7 8.441 -7.417 1.130 57 HE1 TYR 7 HE2 TYR 7 9.660 -10.397 4.850 58 HE2 TYR 7 HE1 TYR 7 8.453 -6.557 3.434 59 HH TYR 7 HH TYR 7 9.111 -6.989 5.557 60 H ILE 8 H ILE 8 5.891 -10.386 1.493 61 HA ILE 8 HA ILE 8 6.735 -12.224 3.577 62 HB ILE 8 HB ILE 8 5.683 -9.873 3.918 63 HG12 ILE 8 2HG1 ILE 8 4.289 -11.044 5.920 64 HG13 ILE 8 3HG1 ILE 8 5.305 -12.393 5.426 65 HG21 ILE 8 1HG2 ILE 8 3.668 -10.748 2.458 66 HG22 ILE 8 2HG2 ILE 8 3.090 -11.321 4.021 67 HG23 ILE 8 3HG2 ILE 8 3.419 -9.605 3.778 68 HD11 ILE 8 3HD1 ILE 8 7.239 -11.348 6.074 69 HD12 ILE 8 1HD1 ILE 8 6.550 -9.733 5.911 70 HD13 ILE 8 2HD1 ILE 8 6.098 -10.751 7.279 71 H LYS 9 H LYS 9 4.711 -12.263 0.851 72 HA LYS 9 HA LYS 9 2.812 -14.188 1.821 73 HB2 LYS 9 2HB LYS 9 2.038 -14.287 -0.493 74 HB3 LYS 9 3HB LYS 9 2.231 -12.617 0.025 75 HG2 LYS 9 2HG LYS 9 3.862 -12.204 -1.465 76 HG3 LYS 9 3HG LYS 9 4.577 -13.808 -1.289 77 HD2 LYS 9 2HD LYS 9 3.682 -13.537 -3.527 78 HD3 LYS 9 3HD LYS 9 2.748 -14.748 -2.646 79 HE2 LYS 9 2HE LYS 9 1.230 -13.327 -3.847 80 HE3 LYS 9 3HE LYS 9 1.071 -12.994 -2.123 81 HZ1 LYS 9 3HZ LYS 9 2.886 -11.367 -3.775 82 HZ2 LYS 9 1HZ LYS 9 2.103 -10.961 -2.331 83 HZ3 LYS 9 2HZ LYS 9 1.226 -11.041 -3.775 84 H TRP 10 H TRP 10 6.021 -14.387 0.983 85 HA TRP 10 HA TRP 10 6.067 -16.849 -0.435 86 HB2 TRP 10 2HB TRP 10 8.069 -15.117 0.918 87 HB3 TRP 10 3HB TRP 10 8.513 -16.801 0.655 88 HD1 TRP 10 HD1 TRP 10 8.415 -13.517 -1.068 89 HE1 TRP 10 HE1 TRP 10 8.992 -13.798 -3.561 90 HE3 TRP 10 HE3 TRP 10 8.080 -18.607 -1.410 91 HZ2 TRP 10 HZ2 TRP 10 9.269 -15.899 -5.425 92 HZ3 TRP 10 HZ3 TRP 10 8.515 -19.674 -3.584 93 HH2 TRP 10 HH2 TRP 10 9.096 -18.346 -5.549 94 HA PRO 11 HA PRO 11 7.102 -18.805 3.861 95 HB2 PRO 11 2HB PRO 11 6.735 -17.249 6.056 96 HB3 PRO 11 3HB PRO 11 8.266 -17.320 5.174 97 HG2 PRO 11 2HG PRO 11 6.085 -15.275 5.022 98 HG3 PRO 11 3HG PRO 11 7.842 -15.036 5.066 99 HD2 PRO 11 2HD PRO 11 6.413 -14.915 2.769 100 HD3 PRO 11 3HD PRO 11 8.088 -15.500 2.822 101 H TRP 12 H TRP 12 4.547 -16.338 4.061 102 HA TRP 12 HA TRP 12 2.780 -17.595 5.755 103 HB2 TRP 12 2HB TRP 12 2.163 -15.921 3.312 104 HB3 TRP 12 3HB TRP 12 0.987 -16.345 4.553 105 HD1 TRP 12 HD1 TRP 12 1.396 -13.345 4.164 106 HE1 TRP 12 HE1 TRP 12 2.528 -11.874 5.947 107 HE3 TRP 12 HE3 TRP 12 3.981 -16.967 6.682 108 HZ2 TRP 12 HZ2 TRP 12 4.285 -12.206 8.132 109 HZ3 TRP 12 HZ3 TRP 12 5.364 -16.306 8.607 110 HH2 TRP 12 HH2 TRP 12 5.512 -13.974 9.315 111 H TYR 13 H TYR 13 3.434 -18.269 2.383 112 HA TYR 13 HA TYR 13 1.295 -19.707 1.539 113 HB2 TYR 13 2HB TYR 13 4.174 -19.780 0.994 114 HB3 TYR 13 3HB TYR 13 3.358 -21.304 0.666 115 HD1 TYR 13 HD1 TYR 13 1.992 -17.870 0.281 116 HD2 TYR 13 HD2 TYR 13 3.366 -21.388 -1.678 117 HE1 TYR 13 HE1 TYR 13 1.199 -16.975 -1.868 118 HE2 TYR 13 HE2 TYR 13 2.578 -20.502 -3.833 119 HH TYR 13 HH TYR 13 0.570 -17.721 -4.053 120 H VAL 14 H VAL 14 4.040 -21.138 3.315 121 HA VAL 14 HA VAL 14 3.243 -23.702 3.619 122 HB VAL 14 HB VAL 14 4.426 -23.810 5.724 123 HG11 VAL 14 1HG1 VAL 14 6.401 -23.538 4.721 124 HG12 VAL 14 2HG1 VAL 14 5.495 -22.911 3.343 125 HG13 VAL 14 3HG1 VAL 14 6.160 -21.801 4.541 126 HG21 VAL 14 3HG2 VAL 14 3.991 -22.144 7.161 127 HG22 VAL 14 1HG2 VAL 14 5.323 -21.313 6.357 128 HG23 VAL 14 2HG2 VAL 14 3.659 -20.988 5.871 129 H TRP 15 H TRP 15 1.898 -20.913 5.269 130 HA TRP 15 HA TRP 15 0.174 -22.573 6.920 131 HB2 TRP 15 2HB TRP 15 1.022 -20.652 8.037 132 HB3 TRP 15 3HB TRP 15 0.584 -19.593 6.699 133 HD1 TRP 15 HD1 TRP 15 -1.653 -22.116 8.624 134 HE1 TRP 15 HE1 TRP 15 -3.696 -20.833 9.522 135 HE3 TRP 15 HE3 TRP 15 -0.386 -17.404 7.099 136 HZ2 TRP 15 HZ2 TRP 15 -4.644 -18.175 9.577 137 HZ3 TRP 15 HZ3 TRP 15 -1.916 -15.546 7.614 138 HH2 TRP 15 HH2 TRP 15 -4.001 -15.926 8.826 139 H LEU 16 H LEU 16 -0.266 -19.994 4.495 140 HA LEU 16 HA LEU 16 -2.813 -21.266 3.750 141 HB2 LEU 16 2HB LEU 16 -3.541 -19.375 4.886 142 HB3 LEU 16 3HB LEU 16 -2.209 -18.387 4.291 143 HG LEU 16 HG LEU 16 -4.087 -19.347 2.233 144 HD11 LEU 16 1HD1 LEU 16 -4.928 -17.474 4.427 145 HD12 LEU 16 2HD1 LEU 16 -5.757 -18.915 3.838 146 HD13 LEU 16 3HD1 LEU 16 -5.676 -17.470 2.830 147 HD21 LEU 16 3HD2 LEU 16 -3.685 -16.525 2.333 148 HD22 LEU 16 1HD2 LEU 16 -3.101 -17.688 1.142 149 HD23 LEU 16 2HD2 LEU 16 -2.136 -17.335 2.576 150 H GLY 17 H GLY 17 -2.770 -21.937 1.715 151 HA2 GLY 17 2HA GLY 17 -2.650 -21.477 -0.626 152 HA3 GLY 17 3HA GLY 17 -1.410 -20.277 -0.294 153 H PHE 18 H PHE 18 -0.485 -22.682 1.615 154 HA PHE 18 HA PHE 18 1.773 -23.404 0.231 155 HB2 PHE 18 2HB PHE 18 1.820 -25.437 1.719 156 HB3 PHE 18 3HB PHE 18 1.610 -23.907 2.565 157 HD1 PHE 18 HD2 PHE 18 -0.519 -23.336 3.593 158 HD2 PHE 18 HD1 PHE 18 0.065 -27.074 1.644 159 HE1 PHE 18 HE2 PHE 18 -2.547 -24.213 4.676 160 HE2 PHE 18 HE1 PHE 18 -1.963 -27.957 2.723 161 HZ PHE 18 HZ PHE 18 -3.271 -26.526 4.242 Start of MODEL 15 1 H1 LEU 1 H LEU 1 4.119 0.770 -1.902 2 HA LEU 1 HA LEU 1 1.803 -0.252 -0.460 3 HB2 LEU 1 2HB LEU 1 2.249 1.448 -2.842 4 HB3 LEU 1 3HB LEU 1 0.783 0.469 -2.823 5 HG LEU 1 HG LEU 1 0.837 1.718 -0.332 6 HD11 LEU 1 1HD1 LEU 1 1.596 3.660 -2.509 7 HD12 LEU 1 2HD1 LEU 1 2.570 3.234 -1.102 8 HD13 LEU 1 3HD1 LEU 1 1.045 4.094 -0.890 9 HD21 LEU 1 3HD2 LEU 1 -0.689 2.056 -2.876 10 HD22 LEU 1 1HD2 LEU 1 -0.978 3.155 -1.527 11 HD23 LEU 1 2HD2 LEU 1 -1.224 1.421 -1.319 12 H GLY 2 H GLY 2 2.347 -2.481 -0.459 13 HA2 GLY 2 2HA GLY 2 1.518 -4.502 -1.445 14 HA3 GLY 2 3HA GLY 2 1.747 -3.779 -3.030 15 H LYS 3 H LYS 3 4.286 -3.305 -0.782 16 HA LYS 3 HA LYS 3 6.006 -5.048 -2.363 17 HB2 LYS 3 2HB LYS 3 6.346 -2.593 -0.907 18 HB3 LYS 3 3HB LYS 3 7.492 -3.789 -0.317 19 HG2 LYS 3 2HG LYS 3 8.553 -3.976 -2.366 20 HG3 LYS 3 3HG LYS 3 7.173 -3.322 -3.252 21 HD2 LYS 3 2HD LYS 3 8.124 -1.314 -3.185 22 HD3 LYS 3 3HD LYS 3 7.985 -1.333 -1.426 23 HE2 LYS 3 2HE LYS 3 10.154 -2.167 -1.151 24 HE3 LYS 3 3HE LYS 3 10.257 -2.701 -2.828 25 HZ1 LYS 3 3HZ LYS 3 9.840 0.005 -2.969 26 HZ2 LYS 3 1HZ LYS 3 11.306 -0.802 -3.225 27 HZ3 LYS 3 2HZ LYS 3 10.939 -0.178 -1.696 28 H TYR 4 H TYR 4 4.819 -4.679 0.929 29 HA TYR 4 HA TYR 4 6.443 -6.751 2.033 30 HB2 TYR 4 2HB TYR 4 3.899 -6.150 3.392 31 HB3 TYR 4 3HB TYR 4 5.543 -6.145 4.021 32 HD1 TYR 4 HD1 TYR 4 6.946 -4.134 3.809 33 HD2 TYR 4 HD2 TYR 4 2.884 -4.145 2.546 34 HE1 TYR 4 HE1 TYR 4 6.958 -1.674 3.770 35 HE2 TYR 4 HE2 TYR 4 2.884 -1.686 2.501 36 HH TYR 4 HH TYR 4 5.160 0.149 2.231 37 H GLU 5 H GLU 5 2.991 -6.572 1.166 38 HA GLU 5 HA GLU 5 2.389 -9.255 1.734 39 HB2 GLU 5 2HB GLU 5 1.081 -7.366 -0.230 40 HB3 GLU 5 3HB GLU 5 0.399 -8.898 0.297 41 HG2 GLU 5 2HG GLU 5 0.653 -7.895 2.677 42 HG3 GLU 5 3HG GLU 5 0.739 -6.357 1.821 43 H GLN 6 H GLN 6 4.397 -8.018 -0.610 44 HA GLN 6 HA GLN 6 3.847 -10.110 -2.571 45 HB2 GLN 6 2HB GLN 6 4.270 -7.798 -3.348 46 HB3 GLN 6 3HB GLN 6 5.882 -7.875 -2.649 47 HG2 GLN 6 2HG GLN 6 6.694 -9.178 -4.307 48 HG3 GLN 6 3HG GLN 6 5.161 -10.011 -4.556 49 HE21 GLN 6 1HE2 GLN 6 7.220 -7.508 -5.586 50 HE22 GLN 6 2HE2 GLN 6 6.208 -6.865 -6.828 51 H TYR 7 H TYR 7 6.298 -9.113 -0.258 52 HA TYR 7 HA TYR 7 7.938 -11.439 -0.961 53 HB2 TYR 7 2HB TYR 7 9.759 -10.343 -0.086 54 HB3 TYR 7 3HB TYR 7 8.791 -8.961 -0.588 55 HD1 TYR 7 HD2 TYR 7 9.516 -11.110 2.366 56 HD2 TYR 7 HD1 TYR 7 8.235 -7.306 0.956 57 HE1 TYR 7 HE2 TYR 7 9.568 -10.246 4.668 58 HE2 TYR 7 HE1 TYR 7 8.285 -6.431 3.254 59 HH TYR 7 HH TYR 7 9.310 -6.906 5.383 60 H ILE 8 H ILE 8 5.728 -10.302 1.389 61 HA ILE 8 HA ILE 8 6.636 -12.114 3.468 62 HB ILE 8 HB ILE 8 5.562 -9.775 3.814 63 HG12 ILE 8 2HG1 ILE 8 4.223 -10.948 5.852 64 HG13 ILE 8 3HG1 ILE 8 5.247 -12.288 5.347 65 HG21 ILE 8 1HG2 ILE 8 3.529 -10.685 2.400 66 HG22 ILE 8 2HG2 ILE 8 2.990 -11.256 3.978 67 HG23 ILE 8 3HG2 ILE 8 3.291 -9.538 3.718 68 HD11 ILE 8 3HD1 ILE 8 6.366 -11.110 7.079 69 HD12 ILE 8 1HD1 ILE 8 7.209 -10.771 5.568 70 HD13 ILE 8 2HD1 ILE 8 6.125 -9.566 6.263 71 H LYS 9 H LYS 9 4.559 -12.198 0.783 72 HA LYS 9 HA LYS 9 2.705 -14.140 1.804 73 HB2 LYS 9 2HB LYS 9 1.882 -14.263 -0.489 74 HB3 LYS 9 3HB LYS 9 2.072 -12.587 0.008 75 HG2 LYS 9 2HG LYS 9 3.629 -12.170 -1.547 76 HG3 LYS 9 3HG LYS 9 4.417 -13.734 -1.324 77 HD2 LYS 9 2HD LYS 9 3.479 -13.576 -3.558 78 HD3 LYS 9 3HD LYS 9 2.620 -14.802 -2.623 79 HE2 LYS 9 2HE LYS 9 1.056 -13.444 -3.894 80 HE3 LYS 9 3HE LYS 9 0.833 -13.190 -2.164 81 HZ1 LYS 9 3HZ LYS 9 2.541 -11.388 -3.762 82 HZ2 LYS 9 1HZ LYS 9 1.802 -11.097 -2.268 83 HZ3 LYS 9 2HZ LYS 9 0.867 -11.155 -3.677 84 H TRP 10 H TRP 10 5.898 -14.305 0.904 85 HA TRP 10 HA TRP 10 5.947 -16.776 -0.499 86 HB2 TRP 10 2HB TRP 10 7.954 -15.009 0.801 87 HB3 TRP 10 3HB TRP 10 8.414 -16.689 0.541 88 HD1 TRP 10 HD1 TRP 10 8.239 -13.419 -1.202 89 HE1 TRP 10 HE1 TRP 10 8.770 -13.710 -3.703 90 HE3 TRP 10 HE3 TRP 10 7.962 -18.515 -1.503 91 HZ2 TRP 10 HZ2 TRP 10 9.035 -15.820 -5.559 92 HZ3 TRP 10 HZ3 TRP 10 8.368 -19.591 -3.678 93 HH2 TRP 10 HH2 TRP 10 8.892 -18.270 -5.663 94 HA PRO 11 HA PRO 11 7.094 -18.688 3.789 95 HB2 PRO 11 2HB PRO 11 6.751 -17.121 5.980 96 HB3 PRO 11 3HB PRO 11 8.264 -17.180 5.068 97 HG2 PRO 11 2HG PRO 11 6.056 -15.163 4.946 98 HG3 PRO 11 3HG PRO 11 7.810 -14.902 4.953 99 HD2 PRO 11 2HD PRO 11 6.334 -14.815 2.685 100 HD3 PRO 11 3HD PRO 11 8.017 -15.379 2.708 101 H TRP 12 H TRP 12 4.512 -16.252 4.024 102 HA TRP 12 HA TRP 12 2.796 -17.519 5.761 103 HB2 TRP 12 2HB TRP 12 2.108 -15.871 3.320 104 HB3 TRP 12 3HB TRP 12 0.963 -16.300 4.588 105 HD1 TRP 12 HD1 TRP 12 1.326 -13.299 4.170 106 HE1 TRP 12 HE1 TRP 12 2.474 -11.801 5.920 107 HE3 TRP 12 HE3 TRP 12 4.006 -16.870 6.660 108 HZ2 TRP 12 HZ2 TRP 12 4.278 -12.095 8.071 109 HZ3 TRP 12 HZ3 TRP 12 5.419 -16.178 8.552 110 HH2 TRP 12 HH2 TRP 12 5.552 -13.840 9.241 111 H TYR 13 H TYR 13 3.390 -18.209 2.381 112 HA TYR 13 HA TYR 13 1.253 -19.680 1.591 113 HB2 TYR 13 2HB TYR 13 4.122 -19.720 0.989 114 HB3 TYR 13 3HB TYR 13 3.318 -21.257 0.687 115 HD1 TYR 13 HD1 TYR 13 1.902 -17.843 0.306 116 HD2 TYR 13 HD2 TYR 13 3.280 -21.358 -1.655 117 HE1 TYR 13 HE1 TYR 13 1.054 -16.974 -1.833 118 HE2 TYR 13 HE2 TYR 13 2.437 -20.498 -3.800 119 HH TYR 13 HH TYR 13 1.953 -17.859 -4.663 120 H VAL 14 H VAL 14 4.051 -21.064 3.321 121 HA VAL 14 HA VAL 14 3.293 -23.635 3.658 122 HB VAL 14 HB VAL 14 4.521 -23.714 5.738 123 HG11 VAL 14 1HG1 VAL 14 5.616 -23.158 3.423 124 HG12 VAL 14 2HG1 VAL 14 6.006 -21.628 4.211 125 HG13 VAL 14 3HG1 VAL 14 6.581 -23.147 4.898 126 HG21 VAL 14 3HG2 VAL 14 4.093 -22.043 7.174 127 HG22 VAL 14 1HG2 VAL 14 5.398 -21.201 6.338 128 HG23 VAL 14 2HG2 VAL 14 3.721 -20.901 5.883 129 H TRP 15 H TRP 15 1.947 -20.852 5.316 130 HA TRP 15 HA TRP 15 0.278 -22.522 7.013 131 HB2 TRP 15 2HB TRP 15 1.124 -20.582 8.098 132 HB3 TRP 15 3HB TRP 15 0.644 -19.538 6.763 133 HD1 TRP 15 HD1 TRP 15 -1.260 -18.036 7.557 134 HE1 TRP 15 HE1 TRP 15 -3.399 -18.342 8.955 135 HE3 TRP 15 HE3 TRP 15 -0.702 -22.956 8.828 136 HZ2 TRP 15 HZ2 TRP 15 -4.680 -20.397 10.405 137 HZ3 TRP 15 HZ3 TRP 15 -2.429 -24.017 10.223 138 HH2 TRP 15 HH2 TRP 15 -4.376 -22.762 10.995 139 H LEU 16 H LEU 16 -0.244 -19.965 4.580 140 HA LEU 16 HA LEU 16 -2.790 -21.275 3.896 141 HB2 LEU 16 2HB LEU 16 -3.518 -19.386 5.034 142 HB3 LEU 16 3HB LEU 16 -2.211 -18.385 4.404 143 HG LEU 16 HG LEU 16 -4.171 -19.399 2.432 144 HD11 LEU 16 1HD1 LEU 16 -4.974 -16.982 3.958 145 HD12 LEU 16 2HD1 LEU 16 -5.338 -18.562 4.650 146 HD13 LEU 16 3HD1 LEU 16 -5.959 -18.133 3.056 147 HD21 LEU 16 3HD2 LEU 16 -3.778 -16.648 2.218 148 HD22 LEU 16 1HD2 LEU 16 -3.008 -17.912 1.260 149 HD23 LEU 16 2HD2 LEU 16 -2.215 -17.299 2.711 150 H GLY 17 H GLY 17 -2.780 -21.959 1.865 151 HA2 GLY 17 2HA GLY 17 -2.713 -21.515 -0.481 152 HA3 GLY 17 3HA GLY 17 -1.483 -20.296 -0.182 153 H PHE 18 H PHE 18 -0.489 -22.677 1.723 154 HA PHE 18 HA PHE 18 1.751 -23.378 0.300 155 HB2 PHE 18 2HB PHE 18 1.854 -25.401 1.799 156 HB3 PHE 18 3HB PHE 18 1.641 -23.868 2.639 157 HD1 PHE 18 HD2 PHE 18 -0.473 -23.316 3.707 158 HD2 PHE 18 HD1 PHE 18 0.118 -27.060 1.769 159 HE1 PHE 18 HE2 PHE 18 -2.467 -24.211 4.835 160 HE2 PHE 18 HE1 PHE 18 -1.877 -27.960 2.894 161 HZ PHE 18 HZ PHE 18 -3.172 -26.536 4.430 Start of MODEL 16 1 H1 LEU 1 H LEU 1 3.961 1.032 -0.058 2 HA LEU 1 HA LEU 1 1.490 -0.112 0.037 3 HB2 LEU 1 2HB LEU 1 1.066 1.024 -2.180 4 HB3 LEU 1 3HB LEU 1 1.661 2.043 -0.871 5 HG LEU 1 HG LEU 1 3.803 0.999 -2.545 6 HD11 LEU 1 1HD1 LEU 1 3.019 2.891 -4.280 7 HD12 LEU 1 2HD1 LEU 1 1.448 2.242 -3.812 8 HD13 LEU 1 3HD1 LEU 1 2.676 1.174 -4.491 9 HD21 LEU 1 3HD2 LEU 1 3.423 3.083 -0.830 10 HD22 LEU 1 1HD2 LEU 1 3.307 3.880 -2.399 11 HD23 LEU 1 2HD2 LEU 1 4.749 2.952 -1.987 12 H GLY 2 H GLY 2 2.159 -2.432 -0.024 13 HA2 GLY 2 2HA GLY 2 1.480 -4.338 -1.273 14 HA3 GLY 2 3HA GLY 2 1.785 -3.441 -2.753 15 H LYS 3 H LYS 3 4.190 -3.198 -0.327 16 HA LYS 3 HA LYS 3 5.987 -4.820 -1.970 17 HB2 LYS 3 2HB LYS 3 6.264 -2.405 -0.435 18 HB3 LYS 3 3HB LYS 3 7.413 -3.605 0.143 19 HG2 LYS 3 2HG LYS 3 8.646 -2.592 -1.487 20 HG3 LYS 3 3HG LYS 3 7.912 -3.904 -2.413 21 HD2 LYS 3 2HD LYS 3 6.018 -2.086 -2.780 22 HD3 LYS 3 3HD LYS 3 7.362 -0.982 -2.481 23 HE2 LYS 3 2HE LYS 3 7.671 -1.207 -4.706 24 HE3 LYS 3 3HE LYS 3 8.530 -2.667 -4.217 25 HZ1 LYS 3 3HZ LYS 3 5.746 -3.162 -4.488 26 HZ2 LYS 3 1HZ LYS 3 7.047 -3.918 -5.261 27 HZ3 LYS 3 2HZ LYS 3 6.375 -2.512 -5.917 28 H TYR 4 H TYR 4 4.725 -4.560 1.306 29 HA TYR 4 HA TYR 4 6.350 -6.644 2.385 30 HB2 TYR 4 2HB TYR 4 3.771 -6.111 3.705 31 HB3 TYR 4 3HB TYR 4 5.401 -6.105 4.369 32 HD1 TYR 4 HD1 TYR 4 6.785 -4.073 4.244 33 HD2 TYR 4 HD2 TYR 4 2.750 -4.094 2.895 34 HE1 TYR 4 HE1 TYR 4 6.768 -1.614 4.275 35 HE2 TYR 4 HE2 TYR 4 2.722 -1.635 2.921 36 HH TYR 4 HH TYR 4 5.267 0.233 2.892 37 H GLU 5 H GLU 5 2.915 -6.479 1.450 38 HA GLU 5 HA GLU 5 2.334 -9.184 1.928 39 HB2 GLU 5 2HB GLU 5 1.043 -7.258 -0.012 40 HB3 GLU 5 3HB GLU 5 0.369 -8.810 0.464 41 HG2 GLU 5 2HG GLU 5 0.798 -7.639 2.881 42 HG3 GLU 5 3HG GLU 5 0.388 -6.250 1.876 43 H GLN 6 H GLN 6 4.375 -7.858 -0.337 44 HA GLN 6 HA GLN 6 3.891 -9.898 -2.368 45 HB2 GLN 6 2HB GLN 6 4.595 -7.298 -2.623 46 HB3 GLN 6 3HB GLN 6 6.182 -8.053 -2.660 47 HG2 GLN 6 2HG GLN 6 3.869 -8.596 -4.502 48 HG3 GLN 6 3HG GLN 6 5.390 -7.799 -4.899 49 HE21 GLN 6 1HE2 GLN 6 7.359 -9.121 -4.614 50 HE22 GLN 6 2HE2 GLN 6 7.273 -10.800 -5.010 51 H TYR 7 H TYR 7 6.281 -8.941 0.024 52 HA TYR 7 HA TYR 7 7.963 -11.227 -0.710 53 HB2 TYR 7 2HB TYR 7 9.752 -10.136 0.234 54 HB3 TYR 7 3HB TYR 7 8.779 -8.752 -0.248 55 HD1 TYR 7 HD2 TYR 7 9.467 -10.977 2.658 56 HD2 TYR 7 HD1 TYR 7 8.171 -7.148 1.330 57 HE1 TYR 7 HE2 TYR 7 9.460 -10.179 4.985 58 HE2 TYR 7 HE1 TYR 7 8.162 -6.339 3.653 59 HH TYR 7 HH TYR 7 8.795 -6.801 5.766 60 H ILE 8 H ILE 8 5.692 -10.183 1.625 61 HA ILE 8 HA ILE 8 6.577 -12.045 3.669 62 HB ILE 8 HB ILE 8 5.469 -9.728 4.059 63 HG12 ILE 8 2HG1 ILE 8 4.102 -10.974 6.034 64 HG13 ILE 8 3HG1 ILE 8 5.151 -12.289 5.513 65 HG21 ILE 8 1HG2 ILE 8 3.476 -10.619 2.578 66 HG22 ILE 8 2HG2 ILE 8 2.911 -11.241 4.127 67 HG23 ILE 8 3HG2 ILE 8 3.198 -9.513 3.923 68 HD11 ILE 8 3HD1 ILE 8 6.051 -9.561 6.408 69 HD12 ILE 8 1HD1 ILE 8 6.135 -11.049 7.350 70 HD13 ILE 8 2HD1 ILE 8 7.103 -10.876 5.886 71 H LYS 9 H LYS 9 4.558 -12.073 0.940 72 HA LYS 9 HA LYS 9 2.705 -14.064 1.865 73 HB2 LYS 9 2HB LYS 9 1.933 -14.131 -0.448 74 HB3 LYS 9 3HB LYS 9 2.090 -12.468 0.102 75 HG2 LYS 9 2HG LYS 9 3.686 -11.987 -1.398 76 HG3 LYS 9 3HG LYS 9 4.473 -13.557 -1.219 77 HD2 LYS 9 2HD LYS 9 3.575 -13.312 -3.463 78 HD3 LYS 9 3HD LYS 9 2.710 -14.581 -2.593 79 HE2 LYS 9 2HE LYS 9 1.150 -13.194 -3.828 80 HE3 LYS 9 3HE LYS 9 0.908 -12.990 -2.094 81 HZ1 LYS 9 3HZ LYS 9 2.630 -11.135 -3.612 82 HZ2 LYS 9 1HZ LYS 9 1.855 -10.888 -2.129 83 HZ3 LYS 9 2HZ LYS 9 0.953 -10.915 -3.559 84 H TRP 10 H TRP 10 5.918 -14.168 1.029 85 HA TRP 10 HA TRP 10 6.025 -16.598 -0.443 86 HB2 TRP 10 2HB TRP 10 7.984 -14.846 0.950 87 HB3 TRP 10 3HB TRP 10 8.468 -16.514 0.652 88 HD1 TRP 10 HD1 TRP 10 8.291 -13.196 -1.001 89 HE1 TRP 10 HE1 TRP 10 8.878 -13.409 -3.498 90 HE3 TRP 10 HE3 TRP 10 8.082 -18.284 -1.452 91 HZ2 TRP 10 HZ2 TRP 10 9.207 -15.462 -5.406 92 HZ3 TRP 10 HZ3 TRP 10 8.545 -19.293 -3.648 93 HH2 TRP 10 HH2 TRP 10 9.096 -17.910 -5.583 94 HA PRO 11 HA PRO 11 7.104 -18.619 3.812 95 HB2 PRO 11 2HB PRO 11 6.698 -17.120 6.039 96 HB3 PRO 11 3HB PRO 11 8.230 -17.136 5.158 97 HG2 PRO 11 2HG PRO 11 6.001 -15.140 5.047 98 HG3 PRO 11 3HG PRO 11 7.751 -14.861 5.099 99 HD2 PRO 11 2HD PRO 11 6.322 -14.724 2.803 100 HD3 PRO 11 3HD PRO 11 8.011 -15.270 2.846 101 H TRP 12 H TRP 12 4.490 -16.220 4.061 102 HA TRP 12 HA TRP 12 2.752 -17.556 5.725 103 HB2 TRP 12 2HB TRP 12 2.097 -15.844 3.318 104 HB3 TRP 12 3HB TRP 12 0.930 -16.323 4.548 105 HD1 TRP 12 HD1 TRP 12 1.268 -13.306 4.225 106 HE1 TRP 12 HE1 TRP 12 2.362 -11.848 6.041 107 HE3 TRP 12 HE3 TRP 12 3.936 -16.919 6.667 108 HZ2 TRP 12 HZ2 TRP 12 4.124 -12.184 8.221 109 HZ3 TRP 12 HZ3 TRP 12 5.302 -16.267 8.608 110 HH2 TRP 12 HH2 TRP 12 5.393 -13.949 9.367 111 H TYR 13 H TYR 13 3.425 -18.141 2.340 112 HA TYR 13 HA TYR 13 1.322 -19.611 1.463 113 HB2 TYR 13 2HB TYR 13 4.203 -19.603 0.921 114 HB3 TYR 13 3HB TYR 13 3.424 -21.139 0.558 115 HD1 TYR 13 HD1 TYR 13 1.976 -17.731 0.245 116 HD2 TYR 13 HD2 TYR 13 3.437 -21.172 -1.787 117 HE1 TYR 13 HE1 TYR 13 1.163 -16.810 -1.886 118 HE2 TYR 13 HE2 TYR 13 2.630 -20.259 -3.924 119 HH TYR 13 HH TYR 13 1.880 -18.368 -4.952 120 H VAL 14 H VAL 14 4.098 -21.014 3.212 121 HA VAL 14 HA VAL 14 3.363 -23.602 3.458 122 HB VAL 14 HB VAL 14 4.546 -23.727 5.563 123 HG11 VAL 14 1HG1 VAL 14 6.505 -23.403 4.551 124 HG12 VAL 14 2HG1 VAL 14 5.591 -22.726 3.202 125 HG13 VAL 14 3HG1 VAL 14 6.247 -21.662 4.447 126 HG21 VAL 14 3HG2 VAL 14 4.070 -22.102 7.035 127 HG22 VAL 14 1HG2 VAL 14 5.382 -21.222 6.251 128 HG23 VAL 14 2HG2 VAL 14 3.712 -20.928 5.769 129 H TRP 15 H TRP 15 1.950 -20.882 5.166 130 HA TRP 15 HA TRP 15 0.264 -22.619 6.778 131 HB2 TRP 15 2HB TRP 15 1.064 -20.702 7.938 132 HB3 TRP 15 3HB TRP 15 0.603 -19.625 6.623 133 HD1 TRP 15 HD1 TRP 15 -1.504 -18.282 7.127 134 HE1 TRP 15 HE1 TRP 15 -3.605 -18.605 8.579 135 HE3 TRP 15 HE3 TRP 15 -0.518 -22.953 8.957 136 HZ2 TRP 15 HZ2 TRP 15 -4.699 -20.577 10.275 137 HZ3 TRP 15 HZ3 TRP 15 -2.142 -23.987 10.489 138 HH2 TRP 15 HH2 TRP 15 -4.189 -22.822 11.134 139 H LEU 16 H LEU 16 -0.235 -19.999 4.408 140 HA LEU 16 HA LEU 16 -2.750 -21.315 3.632 141 HB2 LEU 16 2HB LEU 16 -3.524 -19.467 4.808 142 HB3 LEU 16 3HB LEU 16 -2.215 -18.434 4.235 143 HG LEU 16 HG LEU 16 -4.089 -19.403 2.170 144 HD11 LEU 16 1HD1 LEU 16 -5.569 -17.361 2.891 145 HD12 LEU 16 2HD1 LEU 16 -4.943 -17.748 4.494 146 HD13 LEU 16 3HD1 LEU 16 -5.839 -18.962 3.581 147 HD21 LEU 16 3HD2 LEU 16 -2.684 -17.891 1.244 148 HD22 LEU 16 1HD2 LEU 16 -2.404 -17.050 2.769 149 HD23 LEU 16 2HD2 LEU 16 -3.883 -16.750 1.856 150 H GLY 17 H GLY 17 -2.689 -21.941 1.583 151 HA2 GLY 17 2HA GLY 17 -2.577 -21.428 -0.747 152 HA3 GLY 17 3HA GLY 17 -1.367 -20.206 -0.387 153 H PHE 18 H PHE 18 -0.387 -22.629 1.471 154 HA PHE 18 HA PHE 18 1.890 -23.266 0.077 155 HB2 PHE 18 2HB PHE 18 1.984 -25.329 1.520 156 HB3 PHE 18 3HB PHE 18 1.736 -23.824 2.399 157 HD1 PHE 18 HD1 PHE 18 -0.406 -23.325 3.435 158 HD2 PHE 18 HD2 PHE 18 0.268 -27.006 1.407 159 HE1 PHE 18 HE1 PHE 18 -2.415 -24.273 4.494 160 HE2 PHE 18 HE2 PHE 18 -1.739 -27.959 2.462 161 HZ PHE 18 HZ PHE 18 -3.084 -26.593 4.007 Start of MODEL 17 1 H1 LEU 1 H LEU 1 4.271 0.499 -0.359 2 HA LEU 1 HA LEU 1 1.525 -0.131 -0.652 3 HB2 LEU 1 2HB LEU 1 3.584 1.274 -2.259 4 HB3 LEU 1 3HB LEU 1 2.138 0.720 -3.100 5 HG LEU 1 HG LEU 1 1.723 2.280 -0.617 6 HD11 LEU 1 1HD1 LEU 1 1.926 4.390 -2.015 7 HD12 LEU 1 2HD1 LEU 1 2.885 3.427 -3.137 8 HD13 LEU 1 3HD1 LEU 1 3.431 3.646 -1.475 9 HD21 LEU 1 3HD2 LEU 1 0.431 2.113 -3.331 10 HD22 LEU 1 1HD2 LEU 1 -0.054 3.270 -2.092 11 HD23 LEU 1 2HD2 LEU 1 -0.205 1.539 -1.788 12 H GLY 2 H GLY 2 1.773 -2.505 -0.441 13 HA2 GLY 2 2HA GLY 2 1.392 -4.524 -1.507 14 HA3 GLY 2 3HA GLY 2 1.656 -3.719 -3.047 15 H LYS 3 H LYS 3 4.103 -3.290 -0.689 16 HA LYS 3 HA LYS 3 5.904 -4.958 -2.274 17 HB2 LYS 3 2HB LYS 3 6.156 -2.494 -0.815 18 HB3 LYS 3 3HB LYS 3 7.324 -3.659 -0.206 19 HG2 LYS 3 2HG LYS 3 8.170 -3.998 -2.475 20 HG3 LYS 3 3HG LYS 3 7.002 -2.822 -3.082 21 HD2 LYS 3 2HD LYS 3 8.130 -1.039 -2.191 22 HD3 LYS 3 3HD LYS 3 8.815 -1.992 -0.873 23 HE2 LYS 3 2HE LYS 3 10.509 -2.853 -2.213 24 HE3 LYS 3 3HE LYS 3 9.641 -2.498 -3.706 25 HZ1 LYS 3 3HZ LYS 3 10.883 -0.499 -1.894 26 HZ2 LYS 3 1HZ LYS 3 10.010 -0.133 -3.297 27 HZ3 LYS 3 2HZ LYS 3 11.473 -0.975 -3.406 28 H TYR 4 H TYR 4 4.653 -4.621 0.998 29 HA TYR 4 HA TYR 4 6.316 -6.644 2.132 30 HB2 TYR 4 2HB TYR 4 3.732 -6.119 3.445 31 HB3 TYR 4 3HB TYR 4 5.364 -6.063 4.102 32 HD1 TYR 4 HD2 TYR 4 6.711 -4.011 3.907 33 HD2 TYR 4 HD1 TYR 4 2.670 -4.146 2.581 34 HE1 TYR 4 HE2 TYR 4 6.649 -1.552 3.865 35 HE2 TYR 4 HE1 TYR 4 2.597 -1.688 2.535 36 HH TYR 4 HH TYR 4 5.371 0.253 3.592 37 H GLU 5 H GLU 5 2.867 -6.568 1.233 38 HA GLU 5 HA GLU 5 2.344 -9.270 1.780 39 HB2 GLU 5 2HB GLU 5 0.996 -7.432 -0.206 40 HB3 GLU 5 3HB GLU 5 0.353 -8.973 0.344 41 HG2 GLU 5 2HG GLU 5 0.614 -7.890 2.712 42 HG3 GLU 5 3HG GLU 5 0.578 -6.386 1.794 43 H GLN 6 H GLN 6 4.336 -7.964 -0.539 44 HA GLN 6 HA GLN 6 3.871 -10.061 -2.515 45 HB2 GLN 6 2HB GLN 6 5.049 -7.406 -2.538 46 HB3 GLN 6 3HB GLN 6 6.096 -8.587 -3.314 47 HG2 GLN 6 2HG GLN 6 4.236 -9.260 -4.766 48 HG3 GLN 6 3HG GLN 6 3.219 -8.036 -4.007 49 HE21 GLN 6 1HE2 GLN 6 4.239 -8.432 -6.796 50 HE22 GLN 6 2HE2 GLN 6 4.957 -6.918 -7.216 51 H TYR 7 H TYR 7 6.263 -9.014 -0.164 52 HA TYR 7 HA TYR 7 7.976 -11.288 -0.860 53 HB2 TYR 7 2HB TYR 7 9.753 -10.152 0.059 54 HB3 TYR 7 3HB TYR 7 8.759 -8.794 -0.459 55 HD1 TYR 7 HD1 TYR 7 9.460 -10.941 2.506 56 HD2 TYR 7 HD2 TYR 7 8.148 -7.154 1.077 57 HE1 TYR 7 HE1 TYR 7 9.445 -10.083 4.811 58 HE2 TYR 7 HE2 TYR 7 8.130 -6.285 3.378 59 HH TYR 7 HH TYR 7 8.657 -8.378 6.136 60 H ILE 8 H ILE 8 5.726 -10.206 1.491 61 HA ILE 8 HA ILE 8 6.644 -12.037 3.548 62 HB ILE 8 HB ILE 8 5.548 -9.715 3.926 63 HG12 ILE 8 2HG1 ILE 8 4.203 -10.928 5.935 64 HG13 ILE 8 3HG1 ILE 8 5.235 -12.256 5.415 65 HG21 ILE 8 1HG2 ILE 8 3.528 -10.638 2.485 66 HG22 ILE 8 2HG2 ILE 8 2.982 -11.200 4.064 67 HG23 ILE 8 3HG2 ILE 8 3.284 -9.484 3.796 68 HD11 ILE 8 3HD1 ILE 8 5.878 -9.966 7.005 69 HD12 ILE 8 1HD1 ILE 8 6.846 -11.398 6.659 70 HD13 ILE 8 2HD1 ILE 8 6.898 -10.014 5.567 71 H LYS 9 H LYS 9 4.591 -12.114 0.849 72 HA LYS 9 HA LYS 9 2.744 -14.082 1.835 73 HB2 LYS 9 2HB LYS 9 2.015 -14.229 -0.527 74 HB3 LYS 9 3HB LYS 9 2.035 -12.576 0.076 75 HG2 LYS 9 2HG LYS 9 4.142 -12.166 -1.062 76 HG3 LYS 9 3HG LYS 9 4.173 -13.836 -1.632 77 HD2 LYS 9 2HD LYS 9 1.819 -12.096 -2.241 78 HD3 LYS 9 3HD LYS 9 3.295 -11.944 -3.196 79 HE2 LYS 9 2HE LYS 9 2.495 -13.618 -4.437 80 HE3 LYS 9 3HE LYS 9 2.888 -14.669 -3.077 81 HZ1 LYS 9 3HZ LYS 9 0.660 -14.405 -2.240 82 HZ2 LYS 9 1HZ LYS 9 0.592 -14.936 -3.845 83 HZ3 LYS 9 2HZ LYS 9 0.274 -13.316 -3.476 84 H TRP 10 H TRP 10 5.947 -14.209 0.961 85 HA TRP 10 HA TRP 10 6.030 -16.667 -0.465 86 HB2 TRP 10 2HB TRP 10 8.009 -14.893 0.869 87 HB3 TRP 10 3HB TRP 10 8.487 -16.567 0.599 88 HD1 TRP 10 HD1 TRP 10 8.301 -13.284 -1.117 89 HE1 TRP 10 HE1 TRP 10 8.855 -13.548 -3.616 90 HE3 TRP 10 HE3 TRP 10 8.066 -18.379 -1.465 91 HZ2 TRP 10 HZ2 TRP 10 9.153 -15.640 -5.488 92 HZ3 TRP 10 HZ3 TRP 10 8.498 -19.433 -3.646 93 HH2 TRP 10 HH2 TRP 10 9.030 -18.090 -5.615 94 HA PRO 11 HA PRO 11 7.156 -18.608 3.816 95 HB2 PRO 11 2HB PRO 11 6.779 -17.066 6.018 96 HB3 PRO 11 3HB PRO 11 8.300 -17.101 5.119 97 HG2 PRO 11 2HG PRO 11 6.074 -15.104 4.996 98 HG3 PRO 11 3HG PRO 11 7.825 -14.827 5.022 99 HD2 PRO 11 2HD PRO 11 6.369 -14.732 2.741 100 HD3 PRO 11 3HD PRO 11 8.057 -15.280 2.774 101 H TRP 12 H TRP 12 4.549 -16.199 4.050 102 HA TRP 12 HA TRP 12 2.830 -17.502 5.758 103 HB2 TRP 12 2HB TRP 12 2.149 -15.831 3.330 104 HB3 TRP 12 3HB TRP 12 0.996 -16.286 4.582 105 HD1 TRP 12 HD1 TRP 12 1.336 -13.276 4.203 106 HE1 TRP 12 HE1 TRP 12 2.455 -11.789 5.981 107 HE3 TRP 12 HE3 TRP 12 4.025 -16.852 6.676 108 HZ2 TRP 12 HZ2 TRP 12 4.241 -12.092 8.146 109 HZ3 TRP 12 HZ3 TRP 12 5.414 -16.170 8.590 110 HH2 TRP 12 HH2 TRP 12 5.519 -13.839 9.307 111 H TYR 13 H TYR 13 3.462 -18.149 2.378 112 HA TYR 13 HA TYR 13 1.346 -19.628 1.550 113 HB2 TYR 13 2HB TYR 13 4.220 -19.637 0.975 114 HB3 TYR 13 3HB TYR 13 3.435 -21.178 0.651 115 HD1 TYR 13 HD1 TYR 13 1.986 -17.775 0.290 116 HD2 TYR 13 HD2 TYR 13 3.423 -21.255 -1.693 117 HE1 TYR 13 HE1 TYR 13 1.152 -16.894 -1.849 118 HE2 TYR 13 HE2 TYR 13 2.593 -20.382 -3.838 119 HH TYR 13 HH TYR 13 0.492 -18.471 -4.356 120 H VAL 14 H VAL 14 4.138 -21.009 3.292 121 HA VAL 14 HA VAL 14 3.397 -23.590 3.593 122 HB VAL 14 HB VAL 14 4.603 -23.680 5.687 123 HG11 VAL 14 1HG1 VAL 14 6.709 -22.795 4.983 124 HG12 VAL 14 2HG1 VAL 14 5.843 -23.338 3.545 125 HG13 VAL 14 3HG1 VAL 14 5.923 -21.618 3.931 126 HG21 VAL 14 3HG2 VAL 14 4.149 -22.026 7.134 127 HG22 VAL 14 1HG2 VAL 14 5.455 -21.167 6.319 128 HG23 VAL 14 2HG2 VAL 14 3.781 -20.874 5.850 129 H TRP 15 H TRP 15 2.012 -20.835 5.269 130 HA TRP 15 HA TRP 15 0.339 -22.538 6.930 131 HB2 TRP 15 2HB TRP 15 1.158 -20.603 8.046 132 HB3 TRP 15 3HB TRP 15 0.684 -19.548 6.717 133 HD1 TRP 15 HD1 TRP 15 -1.338 -18.131 7.344 134 HE1 TRP 15 HE1 TRP 15 -3.452 -18.445 8.778 135 HE3 TRP 15 HE3 TRP 15 -0.524 -22.915 8.953 136 HZ2 TRP 15 HZ2 TRP 15 -4.620 -20.455 10.380 137 HZ3 TRP 15 HZ3 TRP 15 -2.187 -23.960 10.434 138 HH2 TRP 15 HH2 TRP 15 -4.192 -22.754 11.132 139 H LEU 16 H LEU 16 -0.180 -19.959 4.520 140 HA LEU 16 HA LEU 16 -2.707 -21.282 3.795 141 HB2 LEU 16 2HB LEU 16 -3.463 -19.411 4.946 142 HB3 LEU 16 3HB LEU 16 -2.158 -18.393 4.342 143 HG LEU 16 HG LEU 16 -3.214 -18.251 2.176 144 HD11 LEU 16 1HD1 LEU 16 -5.742 -19.294 2.430 145 HD12 LEU 16 2HD1 LEU 16 -4.727 -20.526 3.180 146 HD13 LEU 16 3HD1 LEU 16 -4.412 -20.014 1.522 147 HD21 LEU 16 3HD2 LEU 16 -3.922 -16.727 4.030 148 HD22 LEU 16 1HD2 LEU 16 -5.310 -17.784 4.289 149 HD23 LEU 16 2HD2 LEU 16 -5.121 -16.939 2.753 150 H GLY 17 H GLY 17 -2.670 -21.943 1.756 151 HA2 GLY 17 2HA GLY 17 -2.583 -21.471 -0.584 152 HA3 GLY 17 3HA GLY 17 -1.366 -20.246 -0.258 153 H PHE 18 H PHE 18 -0.372 -22.639 1.631 154 HA PHE 18 HA PHE 18 1.888 -23.307 0.222 155 HB2 PHE 18 2HB PHE 18 1.992 -25.345 1.700 156 HB3 PHE 18 3HB PHE 18 1.758 -23.824 2.555 157 HD1 PHE 18 HD2 PHE 18 -0.371 -23.302 3.607 158 HD2 PHE 18 HD1 PHE 18 0.271 -27.018 1.634 159 HE1 PHE 18 HE2 PHE 18 -2.369 -24.225 4.705 160 HE2 PHE 18 HE1 PHE 18 -1.728 -27.948 2.728 161 HZ PHE 18 HZ PHE 18 -3.050 -26.551 4.267 Start of MODEL 18 1 H1 LEU 1 H LEU 1 4.638 0.887 -1.687 2 HA LEU 1 HA LEU 1 2.495 -0.360 -0.111 3 HB2 LEU 1 2HB LEU 1 2.561 1.796 -1.963 4 HB3 LEU 1 3HB LEU 1 1.567 0.512 -2.648 5 HG LEU 1 HG LEU 1 0.800 0.885 0.069 6 HD11 LEU 1 1HD1 LEU 1 1.145 3.403 -1.524 7 HD12 LEU 1 2HD1 LEU 1 1.608 3.076 0.146 8 HD13 LEU 1 3HD1 LEU 1 -0.095 3.254 -0.279 9 HD21 LEU 1 3HD2 LEU 1 -0.773 1.812 -2.301 10 HD22 LEU 1 1HD2 LEU 1 -1.328 1.009 -0.832 11 HD23 LEU 1 2HD2 LEU 1 -0.451 0.095 -2.059 12 H GLY 2 H GLY 2 2.211 -2.465 -0.397 13 HA2 GLY 2 2HA GLY 2 1.771 -4.431 -1.553 14 HA3 GLY 2 3HA GLY 2 2.098 -3.584 -3.058 15 H LYS 3 H LYS 3 4.484 -3.290 -0.619 16 HA LYS 3 HA LYS 3 6.281 -4.975 -2.196 17 HB2 LYS 3 2HB LYS 3 6.566 -2.527 -0.715 18 HB3 LYS 3 3HB LYS 3 7.697 -3.724 -0.098 19 HG2 LYS 3 2HG LYS 3 8.756 -2.423 -1.819 20 HG3 LYS 3 3HG LYS 3 8.531 -4.078 -2.390 21 HD2 LYS 3 2HD LYS 3 7.129 -3.446 -4.029 22 HD3 LYS 3 3HD LYS 3 6.302 -2.273 -3.002 23 HE2 LYS 3 2HE LYS 3 9.030 -1.488 -3.637 24 HE3 LYS 3 3HE LYS 3 8.035 -1.702 -5.076 25 HZ1 LYS 3 3HZ LYS 3 6.362 -0.240 -3.969 26 HZ2 LYS 3 1HZ LYS 3 7.808 0.534 -4.382 27 HZ3 LYS 3 2HZ LYS 3 7.513 0.094 -2.776 28 H TYR 4 H TYR 4 4.984 -4.623 1.056 29 HA TYR 4 HA TYR 4 6.574 -6.694 2.207 30 HB2 TYR 4 2HB TYR 4 3.984 -6.108 3.480 31 HB3 TYR 4 3HB TYR 4 5.605 -6.098 4.164 32 HD1 TYR 4 HD2 TYR 4 7.008 -4.081 4.002 33 HD2 TYR 4 HD1 TYR 4 2.988 -4.104 2.609 34 HE1 TYR 4 HE2 TYR 4 7.010 -1.621 3.972 35 HE2 TYR 4 HE1 TYR 4 2.979 -1.645 2.575 36 HH TYR 4 HH TYR 4 4.091 0.212 3.325 37 H GLU 5 H GLU 5 3.144 -6.524 1.252 38 HA GLU 5 HA GLU 5 2.542 -9.215 1.776 39 HB2 GLU 5 2HB GLU 5 1.269 -7.362 -0.246 40 HB3 GLU 5 3HB GLU 5 0.573 -8.863 0.347 41 HG2 GLU 5 2HG GLU 5 1.267 -7.175 2.554 42 HG3 GLU 5 3HG GLU 5 0.269 -6.289 1.403 43 H GLN 6 H GLN 6 4.605 -7.949 -0.504 44 HA GLN 6 HA GLN 6 4.118 -10.023 -2.498 45 HB2 GLN 6 2HB GLN 6 4.699 -7.521 -2.968 46 HB3 GLN 6 3HB GLN 6 6.352 -8.030 -2.653 47 HG2 GLN 6 2HG GLN 6 4.786 -9.658 -4.560 48 HG3 GLN 6 3HG GLN 6 5.269 -8.045 -5.081 49 HE21 GLN 6 1HE2 GLN 6 6.359 -9.676 -6.627 50 HE22 GLN 6 2HE2 GLN 6 7.986 -10.096 -6.224 51 H TYR 7 H TYR 7 6.497 -9.050 -0.103 52 HA TYR 7 HA TYR 7 8.163 -11.364 -0.784 53 HB2 TYR 7 2HB TYR 7 9.953 -10.279 0.170 54 HB3 TYR 7 3HB TYR 7 9.003 -8.894 -0.355 55 HD1 TYR 7 HD1 TYR 7 9.600 -11.073 2.608 56 HD2 TYR 7 HD2 TYR 7 8.409 -7.246 1.179 57 HE1 TYR 7 HE1 TYR 7 9.569 -10.227 4.918 58 HE2 TYR 7 HE2 TYR 7 8.376 -6.389 3.484 59 HH TYR 7 HH TYR 7 9.425 -6.946 5.671 60 H ILE 8 H ILE 8 5.903 -10.236 1.537 61 HA ILE 8 HA ILE 8 6.739 -12.102 3.598 62 HB ILE 8 HB ILE 8 5.699 -9.754 3.971 63 HG12 ILE 8 2HG1 ILE 8 4.291 -10.940 5.952 64 HG13 ILE 8 3HG1 ILE 8 5.293 -12.293 5.441 65 HG21 ILE 8 1HG2 ILE 8 3.679 -10.617 2.493 66 HG22 ILE 8 2HG2 ILE 8 3.092 -11.171 4.060 67 HG23 ILE 8 3HG2 ILE 8 3.444 -9.462 3.805 68 HD11 ILE 8 3HD1 ILE 8 6.338 -11.104 7.261 69 HD12 ILE 8 1HD1 ILE 8 7.293 -10.919 5.790 70 HD13 ILE 8 2HD1 ILE 8 6.268 -9.597 6.349 71 H LYS 9 H LYS 9 4.731 -12.112 0.865 72 HA LYS 9 HA LYS 9 2.816 -14.034 1.810 73 HB2 LYS 9 2HB LYS 9 2.124 -14.151 -0.565 74 HB3 LYS 9 3HB LYS 9 2.176 -12.503 0.047 75 HG2 LYS 9 2HG LYS 9 4.307 -12.136 -1.055 76 HG3 LYS 9 3HG LYS 9 4.316 -13.806 -1.626 77 HD2 LYS 9 2HD LYS 9 2.015 -12.008 -2.278 78 HD3 LYS 9 3HD LYS 9 3.510 -11.905 -3.210 79 HE2 LYS 9 2HE LYS 9 2.571 -13.516 -4.463 80 HE3 LYS 9 3HE LYS 9 3.102 -14.588 -3.168 81 HZ1 LYS 9 3HZ LYS 9 0.596 -14.470 -4.019 82 HZ2 LYS 9 1HZ LYS 9 0.520 -13.304 -2.796 83 HZ3 LYS 9 2HZ LYS 9 1.008 -14.881 -2.431 84 H TRP 10 H TRP 10 6.029 -14.242 0.990 85 HA TRP 10 HA TRP 10 6.071 -16.695 -0.446 86 HB2 TRP 10 2HB TRP 10 8.073 -14.980 0.929 87 HB3 TRP 10 3HB TRP 10 8.511 -16.665 0.660 88 HD1 TRP 10 HD1 TRP 10 8.441 -13.370 -1.045 89 HE1 TRP 10 HE1 TRP 10 9.032 -13.640 -3.535 90 HE3 TRP 10 HE3 TRP 10 8.079 -18.456 -1.419 91 HZ2 TRP 10 HZ2 TRP 10 9.307 -15.731 -5.411 92 HZ3 TRP 10 HZ3 TRP 10 8.521 -19.512 -3.597 93 HH2 TRP 10 HH2 TRP 10 9.122 -18.176 -5.551 94 HA PRO 11 HA PRO 11 7.073 -18.685 3.842 95 HB2 PRO 11 2HB PRO 11 6.699 -17.143 6.046 96 HB3 PRO 11 3HB PRO 11 8.235 -17.215 5.173 97 HG2 PRO 11 2HG PRO 11 6.064 -15.159 5.022 98 HG3 PRO 11 3HG PRO 11 7.821 -14.928 5.079 99 HD2 PRO 11 2HD PRO 11 6.407 -14.784 2.774 100 HD3 PRO 11 3HD PRO 11 8.079 -15.377 2.833 101 H TRP 12 H TRP 12 4.527 -16.209 4.045 102 HA TRP 12 HA TRP 12 2.745 -17.473 5.718 103 HB2 TRP 12 2HB TRP 12 2.150 -15.772 3.288 104 HB3 TRP 12 3HB TRP 12 0.965 -16.203 4.518 105 HD1 TRP 12 HD1 TRP 12 1.391 -13.201 4.161 106 HE1 TRP 12 HE1 TRP 12 2.518 -11.754 5.966 107 HE3 TRP 12 HE3 TRP 12 3.942 -16.860 6.659 108 HZ2 TRP 12 HZ2 TRP 12 4.259 -12.115 8.158 109 HZ3 TRP 12 HZ3 TRP 12 5.316 -16.226 8.599 110 HH2 TRP 12 HH2 TRP 12 5.470 -13.902 9.331 111 H TYR 13 H TYR 13 3.418 -18.121 2.345 112 HA TYR 13 HA TYR 13 1.277 -19.538 1.473 113 HB2 TYR 13 2HB TYR 13 4.159 -19.621 0.948 114 HB3 TYR 13 3HB TYR 13 3.340 -21.140 0.603 115 HD1 TYR 13 HD1 TYR 13 1.988 -17.699 0.232 116 HD2 TYR 13 HD2 TYR 13 3.367 -21.207 -1.741 117 HE1 TYR 13 HE1 TYR 13 1.214 -16.787 -1.917 118 HE2 TYR 13 HE2 TYR 13 2.598 -20.305 -3.896 119 HH TYR 13 HH TYR 13 0.986 -17.144 -4.094 120 H VAL 14 H VAL 14 4.000 -21.002 3.256 121 HA VAL 14 HA VAL 14 3.184 -23.563 3.531 122 HB VAL 14 HB VAL 14 4.349 -23.696 5.647 123 HG11 VAL 14 1HG1 VAL 14 6.097 -21.686 4.474 124 HG12 VAL 14 2HG1 VAL 14 6.341 -23.422 4.673 125 HG13 VAL 14 3HG1 VAL 14 5.444 -22.810 3.282 126 HG21 VAL 14 3HG2 VAL 14 3.919 -22.035 7.092 127 HG22 VAL 14 1HG2 VAL 14 5.261 -21.208 6.301 128 HG23 VAL 14 2HG2 VAL 14 3.602 -20.870 5.807 129 H TRP 15 H TRP 15 1.845 -20.780 5.197 130 HA TRP 15 HA TRP 15 0.098 -22.444 6.819 131 HB2 TRP 15 2HB TRP 15 0.949 -20.538 7.959 132 HB3 TRP 15 3HB TRP 15 0.527 -19.464 6.628 133 HD1 TRP 15 HD1 TRP 15 -1.735 -18.248 6.810 134 HE1 TRP 15 HE1 TRP 15 -3.777 -18.413 8.368 135 HE3 TRP 15 HE3 TRP 15 -0.437 -22.458 9.405 136 HZ2 TRP 15 HZ2 TRP 15 -4.713 -20.104 10.426 137 HZ3 TRP 15 HZ3 TRP 15 -1.960 -23.283 11.152 138 HH2 TRP 15 HH2 TRP 15 -4.053 -22.129 11.651 139 H LEU 16 H LEU 16 -0.308 -19.840 4.415 140 HA LEU 16 HA LEU 16 -2.857 -21.091 3.639 141 HB2 LEU 16 2HB LEU 16 -3.583 -19.206 4.787 142 HB3 LEU 16 3HB LEU 16 -2.240 -18.220 4.211 143 HG LEU 16 HG LEU 16 -4.095 -19.147 2.122 144 HD11 LEU 16 1HD1 LEU 16 -4.973 -17.191 4.241 145 HD12 LEU 16 2HD1 LEU 16 -5.720 -18.741 3.854 146 HD13 LEU 16 3HD1 LEU 16 -5.771 -17.422 2.684 147 HD21 LEU 16 3HD2 LEU 16 -2.158 -17.134 2.525 148 HD22 LEU 16 1HD2 LEU 16 -3.706 -16.324 2.281 149 HD23 LEU 16 2HD2 LEU 16 -3.106 -17.461 1.073 150 H GLY 17 H GLY 17 -2.804 -21.742 1.598 151 HA2 GLY 17 2HA GLY 17 -2.663 -21.262 -0.738 152 HA3 GLY 17 3HA GLY 17 -1.419 -20.072 -0.385 153 H PHE 18 H PHE 18 -0.523 -22.501 1.508 154 HA PHE 18 HA PHE 18 1.742 -23.223 0.137 155 HB2 PHE 18 2HB PHE 18 1.765 -25.271 1.605 156 HB3 PHE 18 3HB PHE 18 1.557 -23.748 2.463 157 HD1 PHE 18 HD1 PHE 18 -0.574 -23.173 3.481 158 HD2 PHE 18 HD2 PHE 18 0.000 -26.896 1.500 159 HE1 PHE 18 HE1 PHE 18 -2.617 -24.046 4.539 160 HE2 PHE 18 HE2 PHE 18 -2.042 -27.775 2.554 161 HZ PHE 18 HZ PHE 18 -3.354 -26.350 4.075 Start of MODEL 19 1 H1 LEU 1 H LEU 1 4.014 1.285 -1.532 2 HA LEU 1 HA LEU 1 2.369 -0.514 -0.147 3 HB2 LEU 1 2HB LEU 1 1.921 1.121 -2.631 4 HB3 LEU 1 3HB LEU 1 0.654 0.140 -1.896 5 HG LEU 1 HG LEU 1 1.664 1.737 0.173 6 HD11 LEU 1 1HD1 LEU 1 1.973 3.851 -0.570 7 HD12 LEU 1 2HD1 LEU 1 0.883 3.649 -1.942 8 HD13 LEU 1 3HD1 LEU 1 2.522 3.003 -2.016 9 HD21 LEU 1 3HD2 LEU 1 -0.826 1.505 -1.418 10 HD22 LEU 1 1HD2 LEU 1 -0.632 2.945 -0.418 11 HD23 LEU 1 2HD2 LEU 1 -0.569 1.344 0.320 12 H GLY 2 H GLY 2 2.200 -2.637 -0.390 13 HA2 GLY 2 2HA GLY 2 1.683 -4.607 -1.546 14 HA3 GLY 2 3HA GLY 2 1.998 -3.774 -3.061 15 H LYS 3 H LYS 3 4.384 -3.421 -0.629 16 HA LYS 3 HA LYS 3 6.201 -5.096 -2.192 17 HB2 LYS 3 2HB LYS 3 6.454 -2.637 -0.722 18 HB3 LYS 3 3HB LYS 3 7.598 -3.818 -0.096 19 HG2 LYS 3 2HG LYS 3 8.796 -2.735 -1.754 20 HG3 LYS 3 3HG LYS 3 8.229 -4.200 -2.560 21 HD2 LYS 3 2HD LYS 3 6.880 -3.057 -3.964 22 HD3 LYS 3 3HD LYS 3 6.420 -1.882 -2.729 23 HE2 LYS 3 2HE LYS 3 9.214 -1.792 -3.712 24 HE3 LYS 3 3HE LYS 3 7.954 -1.259 -4.824 25 HZ1 LYS 3 3HZ LYS 3 7.442 0.525 -3.539 26 HZ2 LYS 3 1HZ LYS 3 9.076 0.380 -3.125 27 HZ3 LYS 3 2HZ LYS 3 7.884 -0.226 -2.089 28 H TYR 4 H TYR 4 4.897 -4.744 1.058 29 HA TYR 4 HA TYR 4 6.510 -6.792 2.219 30 HB2 TYR 4 2HB TYR 4 3.912 -6.231 3.487 31 HB3 TYR 4 3HB TYR 4 5.532 -6.199 4.173 32 HD1 TYR 4 HD2 TYR 4 6.911 -4.165 4.002 33 HD2 TYR 4 HD1 TYR 4 2.892 -4.243 2.607 34 HE1 TYR 4 HE2 TYR 4 6.884 -1.706 3.962 35 HE2 TYR 4 HE1 TYR 4 2.854 -1.784 2.562 36 HH TYR 4 HH TYR 4 5.650 0.101 2.813 37 H GLU 5 H GLU 5 3.079 -6.667 1.261 38 HA GLU 5 HA GLU 5 2.509 -9.362 1.796 39 HB2 GLU 5 2HB GLU 5 1.217 -7.526 -0.229 40 HB3 GLU 5 3HB GLU 5 0.540 -9.040 0.355 41 HG2 GLU 5 2HG GLU 5 0.855 -7.859 2.698 42 HG3 GLU 5 3HG GLU 5 0.751 -6.408 1.702 43 H GLN 6 H GLN 6 4.558 -8.081 -0.488 44 HA GLN 6 HA GLN 6 4.097 -10.169 -2.474 45 HB2 GLN 6 2HB GLN 6 4.647 -7.664 -2.956 46 HB3 GLN 6 3HB GLN 6 6.307 -8.149 -2.633 47 HG2 GLN 6 2HG GLN 6 6.231 -8.423 -4.891 48 HG3 GLN 6 3HG GLN 6 5.761 -10.038 -4.364 49 HE21 GLN 6 1HE2 GLN 6 5.172 -8.210 -6.758 50 HE22 GLN 6 2HE2 GLN 6 3.460 -8.343 -6.948 51 H TYR 7 H TYR 7 6.463 -9.158 -0.081 52 HA TYR 7 HA TYR 7 8.157 -11.455 -0.751 53 HB2 TYR 7 2HB TYR 7 9.933 -10.345 0.200 54 HB3 TYR 7 3HB TYR 7 8.967 -8.973 -0.332 55 HD1 TYR 7 HD1 TYR 7 9.586 -11.133 2.641 56 HD2 TYR 7 HD2 TYR 7 8.352 -7.326 1.195 57 HE1 TYR 7 HE1 TYR 7 9.543 -10.277 4.947 58 HE2 TYR 7 HE2 TYR 7 8.307 -6.460 3.496 59 HH TYR 7 HH TYR 7 9.795 -7.751 5.978 60 H ILE 8 H ILE 8 5.882 -10.345 1.563 61 HA ILE 8 HA ILE 8 6.739 -12.192 3.633 62 HB ILE 8 HB ILE 8 5.670 -9.855 3.996 63 HG12 ILE 8 2HG1 ILE 8 4.274 -11.049 5.980 64 HG13 ILE 8 3HG1 ILE 8 5.292 -12.394 5.475 65 HG21 ILE 8 1HG2 ILE 8 3.662 -10.748 2.519 66 HG22 ILE 8 2HG2 ILE 8 3.080 -11.301 4.089 67 HG23 ILE 8 3HG2 ILE 8 3.413 -9.589 3.825 68 HD11 ILE 8 3HD1 ILE 8 7.009 -10.210 5.650 69 HD12 ILE 8 1HD1 ILE 8 5.950 -10.088 7.055 70 HD13 ILE 8 2HD1 ILE 8 6.876 -11.563 6.774 71 H LYS 9 H LYS 9 4.733 -12.237 0.898 72 HA LYS 9 HA LYS 9 2.840 -14.178 1.849 73 HB2 LYS 9 2HB LYS 9 2.153 -14.314 -0.527 74 HB3 LYS 9 3HB LYS 9 2.184 -12.663 0.079 75 HG2 LYS 9 2HG LYS 9 4.294 -12.257 -1.029 76 HG3 LYS 9 3HG LYS 9 4.359 -13.937 -1.569 77 HD2 LYS 9 2HD LYS 9 2.018 -12.208 -2.273 78 HD3 LYS 9 3HD LYS 9 3.514 -12.106 -3.203 79 HE2 LYS 9 2HE LYS 9 2.774 -13.834 -4.395 80 HE3 LYS 9 3HE LYS 9 3.024 -14.831 -2.962 81 HZ1 LYS 9 3HZ LYS 9 0.515 -13.323 -3.292 82 HZ2 LYS 9 1HZ LYS 9 0.805 -14.731 -2.400 83 HZ3 LYS 9 2HZ LYS 9 0.723 -14.801 -4.088 84 H TRP 10 H TRP 10 6.056 -14.352 1.033 85 HA TRP 10 HA TRP 10 6.129 -16.810 -0.392 86 HB2 TRP 10 2HB TRP 10 8.109 -15.066 0.978 87 HB3 TRP 10 3HB TRP 10 8.567 -16.747 0.717 88 HD1 TRP 10 HD1 TRP 10 8.461 -13.461 -1.002 89 HE1 TRP 10 HE1 TRP 10 9.057 -13.734 -3.491 90 HE3 TRP 10 HE3 TRP 10 8.158 -18.552 -1.355 91 HZ2 TRP 10 HZ2 TRP 10 9.359 -15.831 -5.357 92 HZ3 TRP 10 HZ3 TRP 10 8.614 -19.613 -3.528 93 HH2 TRP 10 HH2 TRP 10 9.202 -18.279 -5.486 94 HA PRO 11 HA PRO 11 7.148 -18.770 3.906 95 HB2 PRO 11 2HB PRO 11 6.754 -17.223 6.102 96 HB3 PRO 11 3HB PRO 11 8.291 -17.281 5.231 97 HG2 PRO 11 2HG PRO 11 6.097 -15.251 5.069 98 HG3 PRO 11 3HG PRO 11 7.851 -15.000 5.127 99 HD2 PRO 11 2HD PRO 11 6.438 -14.882 2.820 100 HD3 PRO 11 3HD PRO 11 8.117 -15.455 2.884 101 H TRP 12 H TRP 12 4.574 -16.322 4.096 102 HA TRP 12 HA TRP 12 2.805 -17.601 5.772 103 HB2 TRP 12 2HB TRP 12 2.193 -15.917 3.334 104 HB3 TRP 12 3HB TRP 12 1.011 -16.356 4.564 105 HD1 TRP 12 HD1 TRP 12 1.402 -13.351 4.195 106 HE1 TRP 12 HE1 TRP 12 2.511 -11.883 5.996 107 HE3 TRP 12 HE3 TRP 12 3.993 -16.970 6.712 108 HZ2 TRP 12 HZ2 TRP 12 4.253 -12.215 8.192 109 HZ3 TRP 12 HZ3 TRP 12 5.357 -16.311 8.651 110 HH2 TRP 12 HH2 TRP 12 5.483 -13.983 9.373 111 H TYR 13 H TYR 13 3.489 -18.255 2.403 112 HA TYR 13 HA TYR 13 1.366 -19.701 1.534 113 HB2 TYR 13 2HB TYR 13 4.250 -19.753 1.013 114 HB3 TYR 13 3HB TYR 13 3.448 -21.282 0.674 115 HD1 TYR 13 HD1 TYR 13 2.056 -17.859 0.287 116 HD2 TYR 13 HD2 TYR 13 3.479 -21.359 -1.670 117 HE1 TYR 13 HE1 TYR 13 1.274 -16.965 -1.867 118 HE2 TYR 13 HE2 TYR 13 2.702 -20.474 -3.830 119 HH TYR 13 HH TYR 13 0.553 -18.044 -4.154 120 H VAL 14 H VAL 14 4.103 -21.125 3.327 121 HA VAL 14 HA VAL 14 3.317 -23.695 3.612 122 HB VAL 14 HB VAL 14 4.482 -23.805 5.729 123 HG11 VAL 14 1HG1 VAL 14 6.526 -23.392 4.863 124 HG12 VAL 14 2HG1 VAL 14 5.602 -23.077 3.393 125 HG13 VAL 14 3HG1 VAL 14 6.121 -21.736 4.414 126 HG21 VAL 14 3HG2 VAL 14 4.030 -22.143 7.167 127 HG22 VAL 14 1HG2 VAL 14 5.363 -21.304 6.374 128 HG23 VAL 14 2HG2 VAL 14 3.701 -20.987 5.877 129 H TRP 15 H TRP 15 1.944 -20.920 5.264 130 HA TRP 15 HA TRP 15 0.215 -22.597 6.892 131 HB2 TRP 15 2HB TRP 15 1.042 -20.676 8.024 132 HB3 TRP 15 3HB TRP 15 0.609 -19.614 6.688 133 HD1 TRP 15 HD1 TRP 15 -1.560 -22.131 8.710 134 HE1 TRP 15 HE1 TRP 15 -3.644 -20.875 9.548 135 HE3 TRP 15 HE3 TRP 15 -0.473 -17.470 6.915 136 HZ2 TRP 15 HZ2 TRP 15 -4.689 -18.254 9.459 137 HZ3 TRP 15 HZ3 TRP 15 -2.067 -15.643 7.334 138 HH2 TRP 15 HH2 TRP 15 -4.132 -16.030 8.579 139 H LEU 16 H LEU 16 -0.219 -20.009 4.476 140 HA LEU 16 HA LEU 16 -2.753 -21.292 3.702 141 HB2 LEU 16 2HB LEU 16 -3.502 -19.412 4.841 142 HB3 LEU 16 3HB LEU 16 -2.170 -18.413 4.264 143 HG LEU 16 HG LEU 16 -3.970 -19.354 2.149 144 HD11 LEU 16 1HD1 LEU 16 -5.038 -17.237 3.981 145 HD12 LEU 16 2HD1 LEU 16 -5.458 -18.936 4.198 146 HD13 LEU 16 3HD1 LEU 16 -5.864 -18.112 2.692 147 HD21 LEU 16 3HD2 LEU 16 -2.113 -17.307 2.593 148 HD22 LEU 16 1HD2 LEU 16 -3.679 -16.511 2.440 149 HD23 LEU 16 2HD2 LEU 16 -3.100 -17.571 1.155 150 H GLY 17 H GLY 17 -2.690 -21.952 1.664 151 HA2 GLY 17 2HA GLY 17 -2.551 -21.481 -0.673 152 HA3 GLY 17 3HA GLY 17 -1.322 -20.274 -0.324 153 H PHE 18 H PHE 18 -0.400 -22.685 1.580 154 HA PHE 18 HA PHE 18 1.876 -23.385 0.215 155 HB2 PHE 18 2HB PHE 18 1.920 -25.427 1.691 156 HB3 PHE 18 3HB PHE 18 1.694 -23.903 2.543 157 HD1 PHE 18 HD1 PHE 18 -0.445 -23.348 3.556 158 HD2 PHE 18 HD2 PHE 18 0.174 -27.073 1.591 159 HE1 PHE 18 HE1 PHE 18 -2.479 -24.241 4.615 160 HE2 PHE 18 HE2 PHE 18 -1.859 -27.971 2.646 161 HZ PHE 18 HZ PHE 18 -3.189 -26.555 4.159 Start of MODEL 20 1 H1 LEU 1 H LEU 1 3.731 0.866 -1.580 2 HA LEU 1 HA LEU 1 1.542 -0.435 -0.162 3 HB2 LEU 1 2HB LEU 1 1.465 1.010 -2.803 4 HB3 LEU 1 3HB LEU 1 0.094 0.572 -1.785 5 HG LEU 1 HG LEU 1 1.366 2.144 -0.059 6 HD11 LEU 1 1HD1 LEU 1 2.162 4.140 -1.469 7 HD12 LEU 1 2HD1 LEU 1 2.363 2.960 -2.763 8 HD13 LEU 1 3HD1 LEU 1 3.258 2.774 -1.255 9 HD21 LEU 1 3HD2 LEU 1 -0.545 3.240 -0.310 10 HD22 LEU 1 1HD2 LEU 1 -0.836 2.370 -1.816 11 HD23 LEU 1 2HD2 LEU 1 0.017 3.914 -1.840 12 H GLY 2 H GLY 2 2.133 -2.618 -0.370 13 HA2 GLY 2 2HA GLY 2 1.369 -4.566 -1.554 14 HA3 GLY 2 3HA GLY 2 1.632 -3.702 -3.062 15 H LYS 3 H LYS 3 4.078 -3.361 -0.689 16 HA LYS 3 HA LYS 3 5.868 -4.999 -2.324 17 HB2 LYS 3 2HB LYS 3 6.137 -2.539 -0.859 18 HB3 LYS 3 3HB LYS 3 7.317 -3.705 -0.273 19 HG2 LYS 3 2HG LYS 3 8.189 -4.004 -2.504 20 HG3 LYS 3 3HG LYS 3 6.946 -2.938 -3.162 21 HD2 LYS 3 2HD LYS 3 8.623 -1.416 -2.981 22 HD3 LYS 3 3HD LYS 3 7.983 -1.286 -1.341 23 HE2 LYS 3 2HE LYS 3 9.659 -2.922 -0.583 24 HE3 LYS 3 3HE LYS 3 10.312 -2.992 -2.219 25 HZ1 LYS 3 3HZ LYS 3 10.367 -0.363 -1.738 26 HZ2 LYS 3 1HZ LYS 3 11.672 -1.401 -1.453 27 HZ3 LYS 3 2HZ LYS 3 10.646 -0.964 -0.181 28 H TYR 4 H TYR 4 4.664 -4.670 0.967 29 HA TYR 4 HA TYR 4 6.344 -6.696 2.072 30 HB2 TYR 4 2HB TYR 4 3.779 -6.174 3.423 31 HB3 TYR 4 3HB TYR 4 5.420 -6.120 4.057 32 HD1 TYR 4 HD2 TYR 4 6.764 -4.067 3.846 33 HD2 TYR 4 HD1 TYR 4 2.704 -4.200 2.581 34 HE1 TYR 4 HE2 TYR 4 6.700 -1.608 3.811 35 HE2 TYR 4 HE1 TYR 4 2.629 -1.742 2.541 36 HH TYR 4 HH TYR 4 4.601 0.182 4.052 37 H GLU 5 H GLU 5 2.881 -6.619 1.225 38 HA GLU 5 HA GLU 5 2.368 -9.323 1.773 39 HB2 GLU 5 2HB GLU 5 0.986 -7.501 -0.205 40 HB3 GLU 5 3HB GLU 5 0.349 -9.026 0.394 41 HG2 GLU 5 2HG GLU 5 0.954 -7.561 2.679 42 HG3 GLU 5 3HG GLU 5 0.235 -6.399 1.565 43 H GLN 6 H GLN 6 4.324 -8.009 -0.573 44 HA GLN 6 HA GLN 6 3.830 -10.101 -2.548 45 HB2 GLN 6 2HB GLN 6 4.500 -7.490 -2.860 46 HB3 GLN 6 3HB GLN 6 6.088 -8.241 -2.942 47 HG2 GLN 6 2HG GLN 6 3.740 -9.054 -4.637 48 HG3 GLN 6 3HG GLN 6 4.994 -7.923 -5.143 49 HE21 GLN 6 1HE2 GLN 6 4.178 -10.581 -6.173 50 HE22 GLN 6 2HE2 GLN 6 5.624 -11.525 -6.186 51 H TYR 7 H TYR 7 6.256 -9.060 -0.229 52 HA TYR 7 HA TYR 7 7.959 -11.332 -0.958 53 HB2 TYR 7 2HB TYR 7 9.749 -10.198 -0.062 54 HB3 TYR 7 3HB TYR 7 8.747 -8.839 -0.560 55 HD1 TYR 7 HD1 TYR 7 9.492 -10.994 2.388 56 HD2 TYR 7 HD2 TYR 7 8.160 -7.203 0.989 57 HE1 TYR 7 HE1 TYR 7 9.511 -10.142 4.695 58 HE2 TYR 7 HE2 TYR 7 8.176 -6.341 3.292 59 HH TYR 7 HH TYR 7 8.070 -7.175 5.570 60 H ILE 8 H ILE 8 5.745 -10.256 1.430 61 HA ILE 8 HA ILE 8 6.694 -12.095 3.468 62 HB ILE 8 HB ILE 8 5.605 -9.774 3.870 63 HG12 ILE 8 2HG1 ILE 8 4.290 -10.990 5.895 64 HG13 ILE 8 3HG1 ILE 8 5.310 -12.320 5.355 65 HG21 ILE 8 1HG2 ILE 8 3.563 -10.693 2.457 66 HG22 ILE 8 2HG2 ILE 8 3.039 -11.255 4.043 67 HG23 ILE 8 3HG2 ILE 8 3.341 -9.539 3.771 68 HD11 ILE 8 3HD1 ILE 8 7.280 -10.855 5.614 69 HD12 ILE 8 1HD1 ILE 8 6.223 -9.603 6.266 70 HD13 ILE 8 2HD1 ILE 8 6.410 -11.134 7.122 71 H LYS 9 H LYS 9 4.603 -12.165 0.799 72 HA LYS 9 HA LYS 9 2.768 -14.132 1.806 73 HB2 LYS 9 2HB LYS 9 2.009 -14.276 -0.548 74 HB3 LYS 9 3HB LYS 9 2.034 -12.626 0.060 75 HG2 LYS 9 2HG LYS 9 4.104 -12.188 -1.112 76 HG3 LYS 9 3HG LYS 9 4.174 -13.865 -1.659 77 HD2 LYS 9 2HD LYS 9 1.785 -12.171 -2.282 78 HD3 LYS 9 3HD LYS 9 3.251 -12.034 -3.256 79 HE2 LYS 9 2HE LYS 9 2.790 -13.923 -4.340 80 HE3 LYS 9 3HE LYS 9 2.544 -14.799 -2.830 81 HZ1 LYS 9 3HZ LYS 9 0.283 -14.087 -2.763 82 HZ2 LYS 9 1HZ LYS 9 0.569 -14.739 -4.298 83 HZ3 LYS 9 2HZ LYS 9 0.495 -13.062 -4.092 84 H TRP 10 H TRP 10 5.958 -14.261 0.889 85 HA TRP 10 HA TRP 10 6.020 -16.717 -0.541 86 HB2 TRP 10 2HB TRP 10 8.019 -14.947 0.767 87 HB3 TRP 10 3HB TRP 10 8.491 -16.621 0.489 88 HD1 TRP 10 HD1 TRP 10 8.286 -13.335 -1.221 89 HE1 TRP 10 HE1 TRP 10 8.806 -13.598 -3.728 90 HE3 TRP 10 HE3 TRP 10 8.040 -18.429 -1.571 91 HZ2 TRP 10 HZ2 TRP 10 9.076 -15.688 -5.606 92 HZ3 TRP 10 HZ3 TRP 10 8.441 -19.482 -3.759 93 HH2 TRP 10 HH2 TRP 10 8.947 -18.137 -5.733 94 HA PRO 11 HA PRO 11 7.203 -18.666 3.720 95 HB2 PRO 11 2HB PRO 11 6.857 -17.127 5.929 96 HB3 PRO 11 3HB PRO 11 8.367 -17.162 5.010 97 HG2 PRO 11 2HG PRO 11 6.140 -15.163 4.920 98 HG3 PRO 11 3HG PRO 11 7.892 -14.887 4.923 99 HD2 PRO 11 2HD PRO 11 6.405 -14.787 2.662 100 HD3 PRO 11 3HD PRO 11 8.093 -15.337 2.671 101 H TRP 12 H TRP 12 4.602 -16.255 3.994 102 HA TRP 12 HA TRP 12 2.905 -17.559 5.724 103 HB2 TRP 12 2HB TRP 12 2.193 -15.882 3.309 104 HB3 TRP 12 3HB TRP 12 1.057 -16.338 4.576 105 HD1 TRP 12 HD1 TRP 12 1.394 -13.328 4.199 106 HE1 TRP 12 HE1 TRP 12 2.538 -11.847 5.966 107 HE3 TRP 12 HE3 TRP 12 4.113 -16.913 6.626 108 HZ2 TRP 12 HZ2 TRP 12 4.353 -12.157 8.105 109 HZ3 TRP 12 HZ3 TRP 12 5.529 -16.237 8.522 110 HH2 TRP 12 HH2 TRP 12 5.645 -13.908 9.245 111 H TYR 13 H TYR 13 3.491 -18.200 2.334 112 HA TYR 13 HA TYR 13 1.362 -19.675 1.531 113 HB2 TYR 13 2HB TYR 13 4.228 -19.686 0.919 114 HB3 TYR 13 3HB TYR 13 3.437 -21.227 0.603 115 HD1 TYR 13 HD1 TYR 13 1.986 -17.823 0.265 116 HD2 TYR 13 HD2 TYR 13 3.395 -21.300 -1.741 117 HE1 TYR 13 HE1 TYR 13 1.124 -16.938 -1.862 118 HE2 TYR 13 HE2 TYR 13 2.538 -20.425 -3.873 119 HH TYR 13 HH TYR 13 0.920 -18.855 -4.701 120 H VAL 14 H VAL 14 4.174 -21.063 3.234 121 HA VAL 14 HA VAL 14 3.433 -23.643 3.540 122 HB VAL 14 HB VAL 14 4.665 -23.739 5.620 123 HG11 VAL 14 1HG1 VAL 14 6.001 -21.662 3.901 124 HG12 VAL 14 2HG1 VAL 14 6.760 -22.927 4.870 125 HG13 VAL 14 3HG1 VAL 14 5.847 -23.352 3.422 126 HG21 VAL 14 3HG2 VAL 14 4.236 -22.085 7.073 127 HG22 VAL 14 1HG2 VAL 14 5.532 -21.227 6.240 128 HG23 VAL 14 2HG2 VAL 14 3.851 -20.932 5.795 129 H TRP 15 H TRP 15 2.075 -20.890 5.240 130 HA TRP 15 HA TRP 15 0.421 -22.593 6.919 131 HB2 TRP 15 2HB TRP 15 1.256 -20.662 8.028 132 HB3 TRP 15 3HB TRP 15 0.770 -19.604 6.707 133 HD1 TRP 15 HD1 TRP 15 -1.441 -22.195 8.555 134 HE1 TRP 15 HE1 TRP 15 -3.462 -20.948 9.548 135 HE3 TRP 15 HE3 TRP 15 -0.144 -17.413 7.295 136 HZ2 TRP 15 HZ2 TRP 15 -4.385 -18.289 9.768 137 HZ3 TRP 15 HZ3 TRP 15 -1.651 -15.575 7.933 138 HH2 TRP 15 HH2 TRP 15 -3.727 -16.006 9.144 139 H LEU 16 H LEU 16 -0.125 -20.008 4.522 140 HA LEU 16 HA LEU 16 -2.664 -21.325 3.827 141 HB2 LEU 16 2HB LEU 16 -3.403 -19.457 4.991 142 HB3 LEU 16 3HB LEU 16 -2.103 -18.439 4.375 143 HG LEU 16 HG LEU 16 -3.187 -18.329 2.202 144 HD11 LEU 16 1HD1 LEU 16 -5.678 -19.236 2.316 145 HD12 LEU 16 2HD1 LEU 16 -4.932 -20.400 3.410 146 HD13 LEU 16 3HD1 LEU 16 -4.338 -20.237 1.757 147 HD21 LEU 16 3HD2 LEU 16 -4.499 -16.644 2.861 148 HD22 LEU 16 1HD2 LEU 16 -4.009 -17.077 4.499 149 HD23 LEU 16 2HD2 LEU 16 -5.521 -17.699 3.837 150 H GLY 17 H GLY 17 -2.656 -21.981 1.787 151 HA2 GLY 17 2HA GLY 17 -2.599 -21.506 -0.553 152 HA3 GLY 17 3HA GLY 17 -1.376 -20.283 -0.242 153 H PHE 18 H PHE 18 -0.361 -22.683 1.629 154 HA PHE 18 HA PHE 18 1.880 -23.349 0.191 155 HB2 PHE 18 2HB PHE 18 1.999 -25.393 1.662 156 HB3 PHE 18 3HB PHE 18 1.779 -23.873 2.524 157 HD1 PHE 18 HD1 PHE 18 -0.335 -23.349 3.604 158 HD2 PHE 18 HD2 PHE 18 0.273 -27.062 1.615 159 HE1 PHE 18 HE1 PHE 18 -2.321 -24.271 4.725 160 HE2 PHE 18 HE2 PHE 18 -1.713 -27.990 2.732 161 HZ PHE 18 HZ PHE 18 -3.013 -26.593 4.289
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