NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
3414 | 1dp3 | 4584 | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 2 1H ALA 2 -10.235 -17.673 -7.817 2 2H ALA 2 2H ALA 2 -9.225 -16.840 -6.733 3 3H ALA 2 3H ALA 2 -8.695 -18.285 -7.454 4 HA ALA 2 HA ALA 2 -9.143 -16.925 -9.662 5 1HB ALA 2 1HB ALA 2 -9.014 -15.042 -7.342 6 2HB ALA 2 2HB ALA 2 -9.958 -14.923 -8.827 7 3HB ALA 2 3HB ALA 2 -8.236 -14.544 -8.845 8 H LYS 3 H LYS 3 -7.315 -17.925 -10.472 9 HA LYS 3 HA LYS 3 -4.685 -17.137 -9.281 10 1HB LYS 3 2HB LYS 3 -5.580 -19.911 -10.133 11 2HB LYS 3 1HB LYS 3 -3.983 -19.496 -9.509 12 1HG LYS 3 2HG LYS 3 -5.315 -18.526 -7.475 13 2HG LYS 3 1HG LYS 3 -6.616 -19.564 -8.060 14 1HD LYS 3 2HD LYS 3 -4.048 -20.950 -8.012 15 2HD LYS 3 1HD LYS 3 -4.510 -20.355 -6.417 16 1HE LYS 3 2HE LYS 3 -5.639 -22.393 -6.420 17 2HE LYS 3 1HE LYS 3 -6.888 -21.367 -7.157 18 1HZ LYS 3 1HZ LYS 3 -6.528 -23.246 -8.577 19 2HZ LYS 3 2HZ LYS 3 -4.848 -22.993 -8.581 20 3HZ LYS 3 3HZ LYS 3 -5.879 -21.878 -9.342 21 H VAL 4 H VAL 4 -4.316 -15.722 -11.086 22 HA VAL 4 HA VAL 4 -4.202 -17.033 -13.777 23 HB VAL 4 HB VAL 4 -4.206 -14.101 -12.987 24 1HG1 VAL 4 1HG1 VAL 4 -4.972 -15.284 -15.653 25 2HG1 VAL 4 2HG1 VAL 4 -3.288 -14.913 -15.279 26 3HG1 VAL 4 3HG1 VAL 4 -4.496 -13.628 -15.277 27 1HG2 VAL 4 1HG2 VAL 4 -6.369 -16.103 -13.343 28 2HG2 VAL 4 2HG2 VAL 4 -6.624 -14.551 -14.140 29 3HG2 VAL 4 3HG2 VAL 4 -6.359 -14.614 -12.398 30 H GLN 5 H GLN 5 -2.078 -18.015 -13.164 31 HA GLN 5 HA GLN 5 0.287 -18.003 -13.052 32 1HB GLN 5 2HB GLN 5 -0.327 -15.607 -14.812 33 2HB GLN 5 1HB GLN 5 1.240 -16.410 -14.722 34 1HG GLN 5 2HG GLN 5 -0.335 -18.557 -15.188 35 2HG GLN 5 1HG GLN 5 -1.276 -17.315 -16.015 36 1HE2 GLN 5 1HE2 GLN 5 -0.091 -19.271 -17.609 37 2HE2 GLN 5 2HE2 GLN 5 1.220 -18.613 -18.463 38 H ALA 6 H ALA 6 2.102 -15.862 -13.044 39 HA ALA 6 HA ALA 6 3.053 -14.258 -11.589 40 1HB ALA 6 1HB ALA 6 1.608 -12.528 -11.712 41 2HB ALA 6 2HB ALA 6 0.698 -13.223 -10.370 42 3HB ALA 6 3HB ALA 6 0.279 -13.642 -12.032 43 H TYR 7 H TYR 7 4.022 -14.842 -9.688 44 HA TYR 7 HA TYR 7 2.958 -16.836 -7.917 45 1HB TYR 7 2HB TYR 7 5.362 -16.251 -8.310 46 2HB TYR 7 1HB TYR 7 5.099 -14.735 -7.448 47 HD1 TYR 7 1HD TYR 7 5.432 -18.375 -7.136 48 HD2 TYR 7 2HD TYR 7 4.616 -14.721 -5.032 49 HE1 TYR 7 1HE TYR 7 5.788 -19.540 -4.976 50 HE2 TYR 7 2HE TYR 7 4.973 -15.885 -2.871 51 HH TYR 7 HH TYR 7 5.652 -17.771 -1.892 52 H VAL 8 H VAL 8 2.061 -16.575 -5.806 53 HA VAL 8 HA VAL 8 0.538 -14.088 -5.402 54 HB VAL 8 HB VAL 8 0.763 -16.774 -4.022 55 1HG1 VAL 8 1HG1 VAL 8 -1.291 -15.943 -2.736 56 2HG1 VAL 8 2HG1 VAL 8 -0.828 -14.320 -3.249 57 3HG1 VAL 8 3HG1 VAL 8 0.262 -15.270 -2.239 58 1HG2 VAL 8 1HG2 VAL 8 -0.677 -17.257 -5.707 59 2HG2 VAL 8 2HG2 VAL 8 -0.916 -15.554 -6.098 60 3HG2 VAL 8 3HG2 VAL 8 -1.854 -16.301 -4.806 61 H SER 9 H SER 9 1.650 -12.393 -4.477 62 HA SER 9 HA SER 9 3.466 -13.018 -2.168 63 1HB SER 9 2HB SER 9 4.097 -11.944 -4.634 64 2HB SER 9 1HB SER 9 3.891 -10.504 -3.639 65 HG SER 9 HG SER 9 5.750 -12.577 -3.462 66 H ASP 10 H ASP 10 3.854 -10.518 -1.169 67 HA ASP 10 HA ASP 10 1.510 -9.948 0.327 68 1HB ASP 10 2HB ASP 10 4.121 -8.595 -0.279 69 2HB ASP 10 1HB ASP 10 2.895 -7.714 0.633 70 H GLU 11 H GLU 11 -0.092 -9.841 -1.524 71 HA GLU 11 HA GLU 11 -0.221 -8.060 -3.629 72 1HB GLU 11 2HB GLU 11 -2.005 -9.591 -3.171 73 2HB GLU 11 1HB GLU 11 -2.289 -8.887 -1.578 74 1HG GLU 11 2HG GLU 11 -3.971 -8.171 -3.302 75 2HG GLU 11 1HG GLU 11 -3.097 -6.826 -2.568 76 H ILE 12 H ILE 12 -0.333 -7.274 -0.207 77 HA ILE 12 HA ILE 12 -1.487 -4.715 -0.200 78 HB ILE 12 HB ILE 12 0.807 -5.991 1.299 79 1HG1 ILE 12 2HG1 ILE 12 -1.513 -6.851 1.619 80 2HG1 ILE 12 1HG1 ILE 12 -0.859 -6.130 3.089 81 1HG2 ILE 12 1HG2 ILE 12 -0.379 -3.229 1.598 82 2HG2 ILE 12 2HG2 ILE 12 1.323 -3.684 1.508 83 3HG2 ILE 12 3HG2 ILE 12 0.386 -4.059 2.954 84 1HD1 ILE 12 1HD1 ILE 12 -2.004 -3.949 1.912 85 2HD1 ILE 12 2HD1 ILE 12 -2.815 -4.962 3.106 86 3HD1 ILE 12 3HD1 ILE 12 -3.099 -5.227 1.385 87 H VAL 13 H VAL 13 1.512 -5.751 -1.632 88 HA VAL 13 HA VAL 13 3.131 -3.492 -1.674 89 HB VAL 13 HB VAL 13 3.597 -5.686 -2.729 90 1HG1 VAL 13 1HG1 VAL 13 1.258 -5.869 -3.712 91 2HG1 VAL 13 2HG1 VAL 13 2.568 -6.327 -4.802 92 3HG1 VAL 13 3HG1 VAL 13 1.789 -4.754 -4.972 93 1HG2 VAL 13 1HG2 VAL 13 4.401 -3.196 -3.609 94 2HG2 VAL 13 2HG2 VAL 13 3.835 -3.956 -5.097 95 3HG2 VAL 13 3HG2 VAL 13 5.099 -4.727 -4.138 96 H TYR 14 H TYR 14 0.241 -4.102 -3.674 97 HA TYR 14 HA TYR 14 0.453 -1.684 -5.241 98 1HB TYR 14 2HB TYR 14 -0.844 -3.806 -5.741 99 2HB TYR 14 1HB TYR 14 -2.011 -3.300 -4.519 100 HD1 TYR 14 1HD TYR 14 -3.949 -2.704 -5.722 101 HD2 TYR 14 2HD TYR 14 -0.118 -1.242 -7.000 102 HE1 TYR 14 1HE TYR 14 -5.063 -1.242 -7.388 103 HE2 TYR 14 2HE TYR 14 -1.231 0.220 -8.666 104 HH TYR 14 HH TYR 14 -3.462 1.276 -8.982 105 H LYS 15 H LYS 15 -0.937 -2.458 -2.098 106 HA LYS 15 HA LYS 15 -2.578 -0.098 -1.820 107 1HB LYS 15 2HB LYS 15 -1.893 -2.465 -0.402 108 2HB LYS 15 1HB LYS 15 -1.562 -1.110 0.678 109 1HG LYS 15 2HG LYS 15 -3.785 -1.187 1.130 110 2HG LYS 15 1HG LYS 15 -3.970 -0.374 -0.424 111 1HD LYS 15 2HD LYS 15 -3.726 -3.354 -0.418 112 2HD LYS 15 1HD LYS 15 -5.258 -2.645 0.097 113 1HE LYS 15 2HE LYS 15 -4.324 -1.293 -2.283 114 2HE LYS 15 1HE LYS 15 -4.396 -3.044 -2.566 115 1HZ LYS 15 1HZ LYS 15 -6.550 -1.403 -1.338 116 2HZ LYS 15 2HZ LYS 15 -6.609 -3.080 -1.600 117 3HZ LYS 15 3HZ LYS 15 -6.564 -2.011 -2.921 118 H ILE 16 H ILE 16 0.681 -0.912 -0.561 119 HA ILE 16 HA ILE 16 1.177 1.665 0.613 120 HB ILE 16 HB ILE 16 3.105 -0.419 -0.463 121 1HG1 ILE 16 2HG1 ILE 16 1.644 -0.187 2.186 122 2HG1 ILE 16 1HG1 ILE 16 1.527 -1.504 1.016 123 1HG2 ILE 16 1HG2 ILE 16 4.730 0.540 0.934 124 2HG2 ILE 16 2HG2 ILE 16 3.527 1.369 1.923 125 3HG2 ILE 16 3HG2 ILE 16 3.888 1.954 0.298 126 1HD1 ILE 16 1HD1 ILE 16 3.470 -1.110 3.133 127 2HD1 ILE 16 2HD1 ILE 16 4.271 -1.254 1.569 128 3HD1 ILE 16 3HD1 ILE 16 3.194 -2.533 2.128 129 H ASN 17 H ASN 17 1.739 0.331 -2.623 130 HA ASN 17 HA ASN 17 3.463 2.337 -3.666 131 1HB ASN 17 2HB ASN 17 1.800 0.144 -4.558 132 2HB ASN 17 1HB ASN 17 1.677 1.491 -5.689 133 1HD2 ASN 17 1HD2 ASN 17 3.380 -1.262 -5.343 134 2HD2 ASN 17 2HD2 ASN 17 4.885 -0.784 -5.967 135 H LYS 18 H LYS 18 -0.083 2.244 -3.370 136 HA LYS 18 HA LYS 18 -0.597 4.653 -4.867 137 1HB LYS 18 2HB LYS 18 -2.086 3.121 -2.716 138 2HB LYS 18 1HB LYS 18 -2.792 4.477 -3.595 139 1HG LYS 18 2HG LYS 18 -2.915 3.309 -5.584 140 2HG LYS 18 1HG LYS 18 -1.530 2.291 -5.192 141 1HD LYS 18 2HD LYS 18 -3.670 1.022 -5.134 142 2HD LYS 18 1HD LYS 18 -2.867 1.044 -3.565 143 1HE LYS 18 2HE LYS 18 -4.328 2.913 -2.842 144 2HE LYS 18 1HE LYS 18 -5.156 2.858 -4.411 145 1HZ LYS 18 1HZ LYS 18 -6.448 1.381 -3.289 146 2HZ LYS 18 2HZ LYS 18 -5.213 0.931 -2.213 147 3HZ LYS 18 3HZ LYS 18 -5.238 0.303 -3.792 148 H ILE 19 H ILE 19 0.044 4.001 -1.433 149 HA ILE 19 HA ILE 19 -0.564 6.611 -0.425 150 HB ILE 19 HB ILE 19 1.477 4.571 0.518 151 1HG1 ILE 19 2HG1 ILE 19 -0.617 3.431 0.236 152 2HG1 ILE 19 1HG1 ILE 19 -0.484 3.809 1.954 153 1HG2 ILE 19 1HG2 ILE 19 1.121 7.067 1.490 154 2HG2 ILE 19 2HG2 ILE 19 1.538 5.694 2.516 155 3HG2 ILE 19 3HG2 ILE 19 -0.140 6.222 2.388 156 1HD1 ILE 19 1HD1 ILE 19 -1.708 6.058 1.119 157 2HD1 ILE 19 2HD1 ILE 19 -2.604 4.622 1.614 158 3HD1 ILE 19 3HD1 ILE 19 -2.321 4.938 -0.098 159 H VAL 20 H VAL 20 2.660 5.180 -1.112 160 HA VAL 20 HA VAL 20 4.270 7.424 -0.769 161 HB VAL 20 HB VAL 20 4.449 5.409 -3.032 162 1HG1 VAL 20 1HG1 VAL 20 6.070 7.341 -3.012 163 2HG1 VAL 20 2HG1 VAL 20 6.837 5.760 -2.859 164 3HG1 VAL 20 3HG1 VAL 20 6.630 6.782 -1.436 165 1HG2 VAL 20 1HG2 VAL 20 4.301 4.951 -0.232 166 2HG2 VAL 20 2HG2 VAL 20 5.987 4.723 -0.697 167 3HG2 VAL 20 3HG2 VAL 20 4.720 3.788 -1.491 168 H GLU 21 H GLU 21 2.700 6.466 -3.854 169 HA GLU 21 HA GLU 21 3.449 8.681 -5.419 170 1HB GLU 21 2HB GLU 21 1.751 6.449 -5.555 171 2HB GLU 21 1HB GLU 21 0.702 7.832 -5.871 172 1HG GLU 21 2HG GLU 21 3.001 8.406 -7.331 173 2HG GLU 21 1HG GLU 21 2.785 6.671 -7.555 174 H ARG 22 H ARG 22 0.562 8.321 -3.331 175 HA ARG 22 HA ARG 22 -0.716 10.767 -3.801 176 1HB ARG 22 2HB ARG 22 -1.485 8.880 -2.357 177 2HB ARG 22 1HB ARG 22 -0.291 9.351 -1.148 178 1HG ARG 22 2HG ARG 22 -1.408 11.693 -1.270 179 2HG ARG 22 1HG ARG 22 -2.750 10.847 -2.040 180 1HD ARG 22 2HD ARG 22 -3.275 9.643 -0.113 181 2HD ARG 22 1HD ARG 22 -1.622 9.755 0.527 182 HE ARG 22 HE ARG 22 -2.637 12.398 0.290 183 1HH1 ARG 22 1HH1 ARG 22 -4.558 10.019 1.504 184 2HH1 ARG 22 2HH1 ARG 22 -4.566 10.573 3.146 185 1HH2 ARG 22 1HH2 ARG 22 -2.046 12.902 2.649 186 2HH2 ARG 22 2HH2 ARG 22 -3.145 12.206 3.793 187 H ARG 23 H ARG 23 2.266 10.143 -2.050 188 HA ARG 23 HA ARG 23 2.462 12.559 -0.545 189 1HB ARG 23 2HB ARG 23 4.604 10.864 -1.871 190 2HB ARG 23 1HB ARG 23 4.864 11.977 -0.529 191 1HG ARG 23 2HG ARG 23 3.211 9.441 -0.524 192 2HG ARG 23 1HG ARG 23 4.653 9.787 0.431 193 1HD ARG 23 2HD ARG 23 1.911 11.057 0.711 194 2HD ARG 23 1HD ARG 23 2.805 10.122 1.926 195 HE ARG 23 HE ARG 23 3.503 12.872 1.021 196 1HH1 ARG 23 1HH1 ARG 23 5.520 10.529 1.916 197 2HH1 ARG 23 2HH1 ARG 23 5.932 11.146 3.481 198 1HH2 ARG 23 1HH2 ARG 23 3.389 13.502 3.516 199 2HH2 ARG 23 2HH2 ARG 23 4.727 12.829 4.386 200 H ARG 24 H ARG 24 4.002 11.789 -3.698 201 HA ARG 24 HA ARG 24 4.796 14.517 -4.207 202 1HB ARG 24 2HB ARG 24 4.659 11.903 -5.646 203 2HB ARG 24 1HB ARG 24 4.845 13.356 -6.629 204 1HG ARG 24 2HG ARG 24 7.057 13.172 -6.183 205 2HG ARG 24 1HG ARG 24 6.647 13.782 -4.580 206 1HD ARG 24 2HD ARG 24 7.920 11.722 -4.300 207 2HD ARG 24 1HD ARG 24 6.231 11.376 -3.875 208 HE ARG 24 HE ARG 24 6.170 10.801 -6.506 209 1HH1 ARG 24 1HH1 ARG 24 9.290 10.712 -5.737 210 2HH1 ARG 24 2HH1 ARG 24 9.507 8.994 -5.778 211 1HH2 ARG 24 1HH2 ARG 24 6.108 8.303 -5.855 212 2HH2 ARG 24 2HH2 ARG 24 7.704 7.629 -5.844 213 H ALA 25 H ALA 25 2.117 12.506 -5.494 214 HA ALA 25 HA ALA 25 0.898 14.247 -7.272 215 1HB ALA 25 1HB ALA 25 -0.400 12.566 -5.098 216 2HB ALA 25 2HB ALA 25 0.117 11.978 -6.678 217 3HB ALA 25 3HB ALA 25 -1.208 13.135 -6.558 218 H GLU 26 H GLU 26 0.897 14.427 -3.739 219 HA GLU 26 HA GLU 26 -0.944 16.694 -3.661 220 1HB GLU 26 2HB GLU 26 0.638 15.008 -1.754 221 2HB GLU 26 1HB GLU 26 0.009 16.557 -1.187 222 1HG GLU 26 2HG GLU 26 -2.178 15.542 -2.476 223 2HG GLU 26 1HG GLU 26 -1.436 14.068 -1.850 224 H GLY 27 H GLY 27 2.529 16.144 -3.688 225 1HA GLY 27 2HA GLY 27 3.832 18.118 -4.592 226 2HA GLY 27 1HA GLY 27 2.942 19.097 -3.425 227 H ALA 28 H ALA 28 4.030 15.876 -2.600 228 HA ALA 28 HA ALA 28 5.268 16.549 -0.181 229 1HB ALA 28 1HB ALA 28 6.636 14.378 -0.806 230 2HB ALA 28 2HB ALA 28 5.567 14.350 -2.208 231 3HB ALA 28 3HB ALA 28 4.890 14.275 -0.582 232 H LYS 29 H LYS 29 7.746 16.276 0.218 233 HA LYS 29 HA LYS 29 9.336 17.558 -1.971 234 1HB LYS 29 2HB LYS 29 8.871 18.432 0.880 235 2HB LYS 29 1HB LYS 29 10.326 18.926 0.013 236 1HG LYS 29 2HG LYS 29 8.386 19.451 -1.849 237 2HG LYS 29 1HG LYS 29 7.534 19.810 -0.347 238 1HD LYS 29 2HD LYS 29 8.571 21.818 -0.401 239 2HD LYS 29 1HD LYS 29 10.038 20.949 0.048 240 1HE LYS 29 2HE LYS 29 9.265 21.017 -2.852 241 2HE LYS 29 1HE LYS 29 10.019 22.455 -2.134 242 1HZ LYS 29 1HZ LYS 29 11.139 19.817 -1.508 243 2HZ LYS 29 2HZ LYS 29 11.916 21.325 -1.606 244 3HZ LYS 29 3HZ LYS 29 11.488 20.493 -3.024 245 H SER 30 H SER 30 11.761 17.487 -1.315 246 HA SER 30 HA SER 30 13.648 16.208 -0.682 247 1HB SER 30 2HB SER 30 11.912 14.848 1.355 248 2HB SER 30 1HB SER 30 13.566 15.432 1.518 249 HG SER 30 HG SER 30 12.482 17.588 1.138 250 H THR 31 H THR 31 14.507 14.159 -1.232 251 HA THR 31 HA THR 31 12.668 12.355 -2.682 252 HB THR 31 HB THR 31 14.912 13.194 -3.514 253 HG1 THR 31 1HG THR 31 15.113 10.425 -3.301 254 1HG2 THR 31 1HG2 THR 31 16.259 11.117 -1.870 255 2HG2 THR 31 2HG2 THR 31 15.817 12.612 -1.043 256 3HG2 THR 31 3HG2 THR 31 16.873 12.664 -2.454 257 H ASP 32 H ASP 32 12.550 12.476 0.296 258 HA ASP 32 HA ASP 32 13.806 9.991 1.247 259 1HB ASP 32 2HB ASP 32 13.313 12.262 2.461 260 2HB ASP 32 1HB ASP 32 11.692 11.597 2.671 261 H VAL 33 H VAL 33 10.743 10.996 -0.084 262 HA VAL 33 HA VAL 33 9.066 8.925 0.984 263 HB VAL 33 HB VAL 33 9.045 10.663 -1.491 264 1HG1 VAL 33 1HG1 VAL 33 6.503 9.879 -1.386 265 2HG1 VAL 33 2HG1 VAL 33 7.225 8.431 -0.682 266 3HG1 VAL 33 3HG1 VAL 33 7.701 8.959 -2.296 267 1HG2 VAL 33 1HG2 VAL 33 7.737 12.088 -0.247 268 2HG2 VAL 33 2HG2 VAL 33 8.599 11.323 1.088 269 3HG2 VAL 33 3HG2 VAL 33 6.981 10.774 0.653 270 H SER 34 H SER 34 8.724 6.821 0.269 271 HA SER 34 HA SER 34 9.493 5.834 -2.330 272 1HB SER 34 2HB SER 34 11.502 6.048 -0.233 273 2HB SER 34 1HB SER 34 11.313 4.381 -0.765 274 HG SER 34 HG SER 34 11.689 5.051 -2.871 275 H PHE 35 H PHE 35 8.866 3.613 -2.575 276 HA PHE 35 HA PHE 35 6.701 2.607 -1.188 277 1HB PHE 35 2HB PHE 35 7.718 1.714 -3.276 278 2HB PHE 35 1HB PHE 35 9.035 1.031 -2.320 279 HD1 PHE 35 1HD PHE 35 8.808 -1.074 -1.279 280 HD2 PHE 35 2HD PHE 35 5.320 0.983 -2.715 281 HE1 PHE 35 1HE PHE 35 7.430 -3.083 -0.810 282 HE2 PHE 35 2HE PHE 35 3.943 -1.027 -2.246 283 HZ PHE 35 HZ PHE 35 4.998 -3.059 -1.294 284 H SER 36 H SER 36 9.984 1.286 -0.612 285 HA SER 36 HA SER 36 9.463 -0.117 1.748 286 1HB SER 36 2HB SER 36 11.970 0.609 2.185 287 2HB SER 36 1HB SER 36 11.575 -0.410 0.803 288 HG SER 36 HG SER 36 12.568 1.159 -0.221 289 H SER 37 H SER 37 10.241 3.346 1.390 290 HA SER 37 HA SER 37 10.440 3.981 4.170 291 1HB SER 37 2HB SER 37 9.742 5.482 1.647 292 2HB SER 37 1HB SER 37 9.774 6.298 3.207 293 HG SER 37 HG SER 37 11.827 6.470 2.686 294 H ILE 38 H ILE 38 7.664 4.534 1.957 295 HA ILE 38 HA ILE 38 5.808 5.261 4.003 296 HB ILE 38 HB ILE 38 5.610 4.160 1.196 297 1HG1 ILE 38 2HG1 ILE 38 6.455 6.485 1.603 298 2HG1 ILE 38 1HG1 ILE 38 4.955 6.450 0.676 299 1HG2 ILE 38 1HG2 ILE 38 3.155 5.060 1.476 300 2HG2 ILE 38 2HG2 ILE 38 3.436 4.737 3.187 301 3HG2 ILE 38 3HG2 ILE 38 3.548 3.427 2.012 302 1HD1 ILE 38 1HD1 ILE 38 4.732 8.152 2.383 303 2HD1 ILE 38 2HD1 ILE 38 5.253 7.026 3.636 304 3HD1 ILE 38 3HD1 ILE 38 3.700 6.793 2.832 305 H SER 39 H SER 39 7.035 2.159 3.022 306 HA SER 39 HA SER 39 4.802 0.556 3.967 307 1HB SER 39 2HB SER 39 6.363 -0.287 2.318 308 2HB SER 39 1HB SER 39 7.730 0.020 3.385 309 HG SER 39 HG SER 39 7.321 -2.064 3.749 310 H THR 40 H THR 40 8.062 1.223 5.315 311 HA THR 40 HA THR 40 7.873 -0.122 7.755 312 HB THR 40 HB THR 40 9.052 2.614 7.159 313 HG1 THR 40 1HG THR 40 10.357 1.500 5.980 314 1HG2 THR 40 1HG2 THR 40 10.692 1.872 8.965 315 2HG2 THR 40 2HG2 THR 40 9.531 0.606 9.366 316 3HG2 THR 40 3HG2 THR 40 9.076 2.302 9.526 317 H MET 41 H MET 41 6.871 3.269 7.135 318 HA MET 41 HA MET 41 5.822 3.830 9.710 319 1HB MET 41 2HB MET 41 4.531 5.565 8.435 320 2HB MET 41 1HB MET 41 6.234 5.507 7.984 321 1HG MET 41 2HG MET 41 5.789 4.414 5.949 322 2HG MET 41 1HG MET 41 4.194 3.883 6.478 323 1HE MET 41 1HE MET 41 2.099 5.290 6.594 324 2HE MET 41 2HE MET 41 2.499 4.652 5.001 325 3HE MET 41 3HE MET 41 1.865 6.288 5.152 326 H LEU 42 H LEU 42 4.438 2.048 7.003 327 HA LEU 42 HA LEU 42 1.700 2.044 7.910 328 1HB LEU 42 2HB LEU 42 3.195 1.184 5.722 329 2HB LEU 42 1HB LEU 42 2.594 -0.315 6.433 330 HG LEU 42 HG LEU 42 0.746 2.026 6.023 331 1HD1 LEU 42 1HD1 LEU 42 2.090 0.526 3.955 332 2HD1 LEU 42 2HD1 LEU 42 0.922 1.837 3.787 333 3HD1 LEU 42 3HD1 LEU 42 0.363 0.170 3.924 334 1HD2 LEU 42 1HD2 LEU 42 -0.387 -0.552 5.532 335 2HD2 LEU 42 2HD2 LEU 42 -0.725 0.545 6.871 336 3HD2 LEU 42 3HD2 LEU 42 0.560 -0.654 7.016 337 H LEU 43 H LEU 43 4.365 -0.322 8.289 338 HA LEU 43 HA LEU 43 3.002 -2.352 9.659 339 1HB LEU 43 2HB LEU 43 5.448 -2.121 8.837 340 2HB LEU 43 1HB LEU 43 5.763 -1.405 10.420 341 HG LEU 43 HG LEU 43 4.341 -3.576 11.178 342 1HD1 LEU 43 1HD1 LEU 43 6.001 -5.058 9.318 343 2HD1 LEU 43 2HD1 LEU 43 4.857 -4.038 8.446 344 3HD1 LEU 43 3HD1 LEU 43 4.271 -5.210 9.626 345 1HD2 LEU 43 1HD2 LEU 43 6.896 -2.666 11.487 346 2HD2 LEU 43 2HD2 LEU 43 7.191 -4.174 10.622 347 3HD2 LEU 43 3HD2 LEU 43 6.316 -4.193 12.153 348 H GLU 44 H GLU 44 3.986 0.814 10.854 349 HA GLU 44 HA GLU 44 3.824 0.299 13.654 350 1HB GLU 44 2HB GLU 44 4.826 2.312 13.048 351 2HB GLU 44 1HB GLU 44 3.692 2.598 11.737 352 1HG GLU 44 2HG GLU 44 2.302 3.769 13.061 353 2HG GLU 44 1HG GLU 44 2.400 2.565 14.341 354 H LEU 45 H LEU 45 1.496 0.938 11.130 355 HA LEU 45 HA LEU 45 -0.767 1.065 13.056 356 1HB LEU 45 2HB LEU 45 -0.144 1.863 10.272 357 2HB LEU 45 1HB LEU 45 -1.795 1.302 10.531 358 HG LEU 45 HG LEU 45 -1.054 3.023 12.706 359 1HD1 LEU 45 1HD1 LEU 45 -0.530 4.081 9.916 360 2HD1 LEU 45 2HD1 LEU 45 0.574 4.081 11.291 361 3HD1 LEU 45 3HD1 LEU 45 -0.843 5.130 11.299 362 1HD2 LEU 45 1HD2 LEU 45 -3.312 2.403 11.437 363 2HD2 LEU 45 2HD2 LEU 45 -2.915 3.849 10.508 364 3HD2 LEU 45 3HD2 LEU 45 -3.131 3.954 12.255 365 H GLY 46 H GLY 46 0.985 -1.315 11.515 366 1HA GLY 46 2HA GLY 46 0.501 -3.510 10.822 367 2HA GLY 46 1HA GLY 46 -0.704 -3.457 12.110 368 H LEU 47 H LEU 47 -0.594 -1.550 9.103 369 HA LEU 47 HA LEU 47 -2.289 -1.251 7.473 370 1HB LEU 47 2HB LEU 47 -1.213 -3.550 7.111 371 2HB LEU 47 1HB LEU 47 -2.635 -4.227 7.907 372 HG LEU 47 HG LEU 47 -3.985 -2.802 6.195 373 1HD1 LEU 47 1HD1 LEU 47 -1.298 -2.192 5.440 374 2HD1 LEU 47 2HD1 LEU 47 -2.793 -1.637 4.685 375 3HD1 LEU 47 3HD1 LEU 47 -2.027 -3.127 4.134 376 1HD2 LEU 47 1HD2 LEU 47 -4.104 -4.674 4.750 377 2HD2 LEU 47 2HD2 LEU 47 -3.584 -5.362 6.287 378 3HD2 LEU 47 3HD2 LEU 47 -2.408 -5.085 5.003 379 H ARG 48 H ARG 48 -3.085 -1.317 10.464 380 HA ARG 48 HA ARG 48 -5.755 -2.461 10.544 381 1HB ARG 48 2HB ARG 48 -4.072 -2.010 12.435 382 2HB ARG 48 1HB ARG 48 -4.575 -0.323 12.332 383 1HG ARG 48 2HG ARG 48 -6.091 -1.053 13.909 384 2HG ARG 48 1HG ARG 48 -7.004 -1.439 12.449 385 1HD ARG 48 2HD ARG 48 -5.114 -3.557 13.257 386 2HD ARG 48 1HD ARG 48 -6.426 -3.267 14.418 387 HE ARG 48 HE ARG 48 -7.654 -3.226 11.908 388 1HH1 ARG 48 1HH2 ARG 48 -5.182 -5.366 12.605 389 2HH1 ARG 48 2HH2 ARG 48 -6.133 -6.804 12.441 390 1HH2 ARG 48 1HH1 ARG 48 -9.145 -5.102 12.190 391 2HH2 ARG 48 2HH1 ARG 48 -8.376 -6.655 12.206 392 H VAL 49 H VAL 49 -6.188 0.511 11.920 393 HA VAL 49 HA VAL 49 -8.265 1.458 10.392 394 HB VAL 49 HB VAL 49 -7.480 3.737 11.193 395 1HG1 VAL 49 1HG1 VAL 49 -8.253 3.238 13.278 396 2HG1 VAL 49 2HG1 VAL 49 -7.060 1.962 13.521 397 3HG1 VAL 49 3HG1 VAL 49 -8.522 1.636 12.589 398 1HG2 VAL 49 1HG2 VAL 49 -5.099 3.515 11.016 399 2HG2 VAL 49 2HG2 VAL 49 -5.099 2.042 11.986 400 3HG2 VAL 49 3HG2 VAL 49 -5.453 3.597 12.742 401 H TYR 50 H TYR 50 -4.852 1.567 9.560 402 HA TYR 50 HA TYR 50 -4.834 3.528 7.523 403 1HB TYR 50 2HB TYR 50 -2.784 2.586 8.249 404 2HB TYR 50 1HB TYR 50 -3.365 0.937 8.025 405 HD1 TYR 50 1HD TYR 50 -3.058 -0.195 5.967 406 HD2 TYR 50 2HD TYR 50 -2.458 4.053 6.180 407 HE1 TYR 50 1HE TYR 50 -2.131 -0.211 3.668 408 HE2 TYR 50 2HE TYR 50 -1.531 4.037 3.879 409 HH TYR 50 HH TYR 50 -1.869 1.423 1.782 410 H GLU 51 H GLU 51 -5.808 0.097 7.394 411 HA GLU 51 HA GLU 51 -6.196 -0.032 4.565 412 1HB GLU 51 2HB GLU 51 -6.140 -1.715 6.711 413 2HB GLU 51 1HB GLU 51 -7.865 -1.675 6.364 414 1HG GLU 51 2HG GLU 51 -6.430 -1.867 3.892 415 2HG GLU 51 1HG GLU 51 -5.843 -3.120 4.985 416 H ALA 52 H ALA 52 -7.982 1.532 7.046 417 HA ALA 52 HA ALA 52 -10.641 1.296 5.916 418 1HB ALA 52 1HB ALA 52 -10.080 1.848 8.281 419 2HB ALA 52 2HB ALA 52 -11.129 3.065 7.554 420 3HB ALA 52 3HB ALA 52 -9.405 3.385 7.741 421 H GLN 53 H GLN 53 -7.942 3.544 5.485 422 HA GLN 53 HA GLN 53 -9.092 5.750 4.262 423 1HB GLN 53 2HB GLN 53 -6.603 4.137 3.701 424 2HB GLN 53 1HB GLN 53 -6.938 5.624 2.816 425 1HG GLN 53 2HG GLN 53 -7.410 6.427 5.387 426 2HG GLN 53 1HG GLN 53 -6.115 5.254 5.627 427 1HE2 GLN 53 1HE2 GLN 53 -4.500 5.583 3.414 428 2HE2 GLN 53 2HE2 GLN 53 -3.922 7.176 3.323 429 H MET 54 H MET 54 -8.695 2.509 2.895 430 HA MET 54 HA MET 54 -9.586 3.331 0.217 431 1HB MET 54 2HB MET 54 -8.820 0.782 1.631 432 2HB MET 54 1HB MET 54 -9.547 0.725 0.025 433 1HG MET 54 2HG MET 54 -7.170 0.770 -0.303 434 2HG MET 54 1HG MET 54 -7.766 2.378 -0.717 435 1HE MET 54 1HE MET 54 -5.734 3.232 -0.752 436 2HE MET 54 2HE MET 54 -4.690 3.713 0.583 437 3HE MET 54 3HE MET 54 -6.223 4.544 0.331 438 H GLU 55 H GLU 55 -11.016 2.033 3.146 439 HA GLU 55 HA GLU 55 -13.234 1.343 3.624 440 1HB GLU 55 2HB GLU 55 -13.337 3.695 1.745 441 2HB GLU 55 1HB GLU 55 -14.835 2.966 2.325 442 1HG GLU 55 2HG GLU 55 -13.105 3.247 4.568 443 2HG GLU 55 1HG GLU 55 -13.100 4.784 3.701 444 H ARG 56 H ARG 56 -15.500 1.046 2.169 445 HA ARG 56 HA ARG 56 -15.131 -1.336 0.670 446 1HB ARG 56 2HB ARG 56 -17.489 -0.921 0.016 447 2HB ARG 56 1HB ARG 56 -17.233 -0.585 1.729 448 1HG ARG 56 2HG ARG 56 -16.967 1.825 1.199 449 2HG ARG 56 1HG ARG 56 -17.289 1.472 -0.499 450 1HD ARG 56 2HD ARG 56 -19.364 0.268 1.087 451 2HD ARG 56 1HD ARG 56 -19.205 1.976 1.543 452 HE ARG 56 HE ARG 56 -19.020 1.963 -1.242 453 1HH1 ARG 56 1HH1 ARG 56 -20.957 -0.412 -0.610 454 2HH1 ARG 56 2HH1 ARG 56 -22.478 0.383 -0.842 455 1HH2 ARG 56 1HH2 ARG 56 -21.121 3.573 -0.788 456 2HH2 ARG 56 2HH2 ARG 56 -22.571 2.638 -0.943 Start of MODEL 2 1 1H ALA 2 1H ALA 2 -1.026 -21.016 -20.332 2 2H ALA 2 2H ALA 2 -2.084 -22.133 -19.608 3 3H ALA 2 3H ALA 2 -0.475 -22.570 -19.935 4 HA ALA 2 HA ALA 2 -0.005 -20.481 -18.383 5 1HB ALA 2 1HB ALA 2 -2.659 -21.669 -17.518 6 2HB ALA 2 2HB ALA 2 -2.456 -20.084 -18.266 7 3HB ALA 2 3HB ALA 2 -1.769 -20.403 -16.674 8 H LYS 3 H LYS 3 1.484 -22.539 -18.699 9 HA LYS 3 HA LYS 3 1.005 -24.765 -16.857 10 1HB LYS 3 2HB LYS 3 2.438 -24.336 -19.160 11 2HB LYS 3 1HB LYS 3 3.710 -24.289 -17.940 12 1HG LYS 3 2HG LYS 3 2.645 -26.449 -17.012 13 2HG LYS 3 1HG LYS 3 1.789 -26.534 -18.553 14 1HD LYS 3 2HD LYS 3 3.619 -27.514 -19.425 15 2HD LYS 3 1HD LYS 3 4.456 -25.972 -19.232 16 1HE LYS 3 2HE LYS 3 5.481 -26.626 -17.237 17 2HE LYS 3 1HE LYS 3 4.225 -27.824 -16.869 18 1HZ LYS 3 1HZ LYS 3 5.744 -28.129 -19.353 19 2HZ LYS 3 2HZ LYS 3 5.071 -29.320 -18.345 20 3HZ LYS 3 3HZ LYS 3 6.519 -28.548 -17.904 21 H VAL 4 H VAL 4 3.007 -25.297 -15.348 22 HA VAL 4 HA VAL 4 4.258 -24.698 -13.435 23 HB VAL 4 HB VAL 4 4.412 -22.007 -14.823 24 1HG1 VAL 4 1HG1 VAL 4 5.808 -23.357 -12.603 25 2HG1 VAL 4 2HG1 VAL 4 5.662 -21.637 -12.959 26 3HG1 VAL 4 3HG1 VAL 4 6.878 -22.608 -13.787 27 1HG2 VAL 4 1HG2 VAL 4 5.938 -24.576 -15.351 28 2HG2 VAL 4 2HG2 VAL 4 6.446 -22.995 -15.945 29 3HG2 VAL 4 3HG2 VAL 4 4.921 -23.693 -16.488 30 H GLN 5 H GLN 5 3.283 -24.328 -11.488 31 HA GLN 5 HA GLN 5 0.839 -22.871 -11.169 32 1HB GLN 5 2HB GLN 5 1.226 -23.327 -8.808 33 2HB GLN 5 1HB GLN 5 1.766 -24.725 -9.739 34 1HG GLN 5 2HG GLN 5 4.076 -23.425 -9.732 35 2HG GLN 5 1HG GLN 5 3.394 -22.670 -8.292 36 1HE2 GLN 5 1HE2 GLN 5 2.064 -24.677 -6.997 37 2HE2 GLN 5 2HE2 GLN 5 3.100 -25.975 -6.643 38 H ALA 6 H ALA 6 0.627 -20.937 -9.669 39 HA ALA 6 HA ALA 6 2.923 -19.170 -9.312 40 1HB ALA 6 1HB ALA 6 2.610 -18.892 -11.693 41 2HB ALA 6 2HB ALA 6 1.969 -17.446 -10.912 42 3HB ALA 6 3HB ALA 6 0.869 -18.697 -11.492 43 H TYR 7 H TYR 7 2.039 -19.134 -7.140 44 HA TYR 7 HA TYR 7 -0.283 -17.281 -6.859 45 1HB TYR 7 2HB TYR 7 0.029 -20.106 -5.889 46 2HB TYR 7 1HB TYR 7 -0.919 -18.970 -4.927 47 HD1 TYR 7 1HD TYR 7 -2.438 -17.358 -6.599 48 HD2 TYR 7 2HD TYR 7 -1.247 -21.423 -7.315 49 HE1 TYR 7 1HE TYR 7 -4.354 -17.646 -8.147 50 HE2 TYR 7 2HE TYR 7 -3.165 -21.711 -8.862 51 HH TYR 7 HH TYR 7 -4.775 -19.336 -10.252 52 H VAL 8 H VAL 8 2.213 -16.326 -6.484 53 HA VAL 8 HA VAL 8 2.314 -15.853 -3.574 54 HB VAL 8 HB VAL 8 3.619 -17.848 -3.680 55 1HG1 VAL 8 1HG1 VAL 8 3.830 -17.972 -6.119 56 2HG1 VAL 8 2HG1 VAL 8 5.417 -18.144 -5.371 57 3HG1 VAL 8 3HG1 VAL 8 4.953 -16.611 -6.109 58 1HG2 VAL 8 1HG2 VAL 8 4.817 -15.340 -3.112 59 2HG2 VAL 8 2HG2 VAL 8 6.031 -16.294 -3.967 60 3HG2 VAL 8 3HG2 VAL 8 5.292 -16.920 -2.491 61 H SER 9 H SER 9 2.057 -13.625 -4.003 62 HA SER 9 HA SER 9 4.439 -12.278 -5.166 63 1HB SER 9 2HB SER 9 1.637 -12.314 -6.223 64 2HB SER 9 1HB SER 9 2.564 -10.825 -6.377 65 HG SER 9 HG SER 9 3.034 -13.371 -7.473 66 H ASP 10 H ASP 10 4.944 -10.522 -3.904 67 HA ASP 10 HA ASP 10 3.537 -9.851 -1.534 68 1HB ASP 10 2HB ASP 10 5.061 -7.835 -1.635 69 2HB ASP 10 1HB ASP 10 5.891 -9.375 -1.870 70 H GLU 11 H GLU 11 1.289 -9.659 -2.500 71 HA GLU 11 HA GLU 11 0.499 -7.643 -4.335 72 1HB GLU 11 2HB GLU 11 -0.661 -9.631 -2.803 73 2HB GLU 11 1HB GLU 11 -1.333 -8.164 -2.093 74 1HG GLU 11 2HG GLU 11 -1.263 -8.254 -5.058 75 2HG GLU 11 1HG GLU 11 -2.393 -9.362 -4.278 76 H ILE 12 H ILE 12 1.029 -7.488 -0.823 77 HA ILE 12 HA ILE 12 -0.053 -4.923 -0.294 78 HB ILE 12 HB ILE 12 2.226 -6.557 0.835 79 1HG1 ILE 12 2HG1 ILE 12 -0.142 -7.321 1.113 80 2HG1 ILE 12 1HG1 ILE 12 0.640 -6.945 2.650 81 1HG2 ILE 12 1HG2 ILE 12 2.777 -4.222 1.287 82 2HG2 ILE 12 2HG2 ILE 12 2.199 -4.981 2.770 83 3HG2 ILE 12 3HG2 ILE 12 1.135 -3.917 1.852 84 1HD1 ILE 12 1HD1 ILE 12 -1.744 -5.803 1.558 85 2HD1 ILE 12 2HD1 ILE 12 -0.519 -4.536 1.646 86 3HD1 ILE 12 3HD1 ILE 12 -0.964 -5.435 3.097 87 H VAL 13 H VAL 13 3.254 -5.824 -1.329 88 HA VAL 13 HA VAL 13 4.596 -3.412 -1.277 89 HB VAL 13 HB VAL 13 4.466 -5.609 -3.353 90 1HG1 VAL 13 1HG1 VAL 13 6.744 -4.650 -4.056 91 2HG1 VAL 13 2HG1 VAL 13 6.252 -3.175 -3.224 92 3HG1 VAL 13 3HG1 VAL 13 5.315 -3.767 -4.595 93 1HG2 VAL 13 1HG2 VAL 13 6.354 -6.482 -2.234 94 2HG2 VAL 13 2HG2 VAL 13 5.333 -5.900 -0.918 95 3HG2 VAL 13 3HG2 VAL 13 6.714 -4.942 -1.453 96 H TYR 14 H TYR 14 2.512 -4.485 -3.999 97 HA TYR 14 HA TYR 14 2.637 -1.932 -5.362 98 1HB TYR 14 2HB TYR 14 2.128 -4.336 -6.208 99 2HB TYR 14 1HB TYR 14 0.484 -4.026 -5.653 100 HD1 TYR 14 1HD TYR 14 3.133 -2.947 -8.003 101 HD2 TYR 14 2HD TYR 14 -0.958 -2.455 -6.788 102 HE1 TYR 14 1HE TYR 14 2.673 -1.660 -10.072 103 HE2 TYR 14 2HE TYR 14 -1.417 -1.168 -8.859 104 HH TYR 14 HH TYR 14 -0.074 -1.207 -11.381 105 H LYS 15 H LYS 15 0.586 -3.283 -2.858 106 HA LYS 15 HA LYS 15 -1.636 -1.449 -3.179 107 1HB LYS 15 2HB LYS 15 -1.596 -3.702 -2.021 108 2HB LYS 15 1HB LYS 15 -0.689 -2.942 -0.713 109 1HG LYS 15 2HG LYS 15 -2.890 -1.246 -1.204 110 2HG LYS 15 1HG LYS 15 -3.535 -2.887 -1.211 111 1HD LYS 15 2HD LYS 15 -1.667 -2.734 0.928 112 2HD LYS 15 1HD LYS 15 -2.706 -1.314 1.040 113 1HE LYS 15 2HE LYS 15 -3.895 -4.052 0.576 114 2HE LYS 15 1HE LYS 15 -3.537 -3.471 2.215 115 1HZ LYS 15 1HZ LYS 15 -5.773 -2.825 1.542 116 2HZ LYS 15 2HZ LYS 15 -5.151 -2.029 0.177 117 3HZ LYS 15 3HZ LYS 15 -4.790 -1.457 1.734 118 H ILE 16 H ILE 16 1.389 -1.396 -1.332 119 HA ILE 16 HA ILE 16 0.719 0.941 0.255 120 HB ILE 16 HB ILE 16 3.394 -0.263 -0.529 121 1HG1 ILE 16 2HG1 ILE 16 1.699 -1.852 0.497 122 2HG1 ILE 16 1HG1 ILE 16 3.186 -1.657 1.425 123 1HG2 ILE 16 1HG2 ILE 16 2.499 1.597 1.682 124 2HG2 ILE 16 2HG2 ILE 16 3.755 1.875 0.476 125 3HG2 ILE 16 3HG2 ILE 16 4.010 0.694 1.760 126 1HD1 ILE 16 1HD1 ILE 16 1.154 -1.540 2.862 127 2HD1 ILE 16 2HD1 ILE 16 0.616 -0.132 1.945 128 3HD1 ILE 16 3HD1 ILE 16 2.094 -0.049 2.905 129 H ASN 17 H ASN 17 2.663 0.427 -2.707 130 HA ASN 17 HA ASN 17 3.685 2.963 -3.179 131 1HB ASN 17 2HB ASN 17 2.403 0.928 -5.021 132 2HB ASN 17 1HB ASN 17 3.282 2.333 -5.625 133 1HD2 ASN 17 1HD2 ASN 17 5.330 1.627 -6.253 134 2HD2 ASN 17 2HD2 ASN 17 6.317 0.582 -5.349 135 H LYS 18 H LYS 18 0.323 1.915 -3.477 136 HA LYS 18 HA LYS 18 -0.703 4.160 -4.927 137 1HB LYS 18 2HB LYS 18 -1.738 2.039 -3.079 138 2HB LYS 18 1HB LYS 18 -2.810 3.375 -3.501 139 1HG LYS 18 2HG LYS 18 -3.029 2.686 -5.663 140 2HG LYS 18 1HG LYS 18 -1.342 2.182 -5.776 141 1HD LYS 18 2HD LYS 18 -1.772 0.066 -4.944 142 2HD LYS 18 1HD LYS 18 -3.167 0.604 -4.009 143 1HE LYS 18 2HE LYS 18 -3.973 -0.731 -5.889 144 2HE LYS 18 1HE LYS 18 -4.385 0.966 -6.207 145 1HZ LYS 18 1HZ LYS 18 -2.327 1.196 -7.459 146 2HZ LYS 18 2HZ LYS 18 -3.296 -0.029 -8.128 147 3HZ LYS 18 3HZ LYS 18 -1.947 -0.433 -7.176 148 H ILE 19 H ILE 19 -0.727 3.525 -1.394 149 HA ILE 19 HA ILE 19 -1.767 6.049 -0.597 150 HB ILE 19 HB ILE 19 0.061 4.015 0.708 151 1HG1 ILE 19 2HG1 ILE 19 -2.460 4.152 1.949 152 2HG1 ILE 19 1HG1 ILE 19 -2.792 4.254 0.219 153 1HG2 ILE 19 1HG2 ILE 19 0.431 6.119 1.852 154 2HG2 ILE 19 2HG2 ILE 19 -0.629 5.132 2.858 155 3HG2 ILE 19 3HG2 ILE 19 -1.300 6.451 1.896 156 1HD1 ILE 19 1HD1 ILE 19 -1.041 2.144 1.516 157 2HD1 ILE 19 2HD1 ILE 19 -1.489 2.227 -0.188 158 3HD1 ILE 19 3HD1 ILE 19 -2.719 1.899 1.032 159 H VAL 20 H VAL 20 1.583 4.986 -1.178 160 HA VAL 20 HA VAL 20 2.841 7.411 -0.239 161 HB VAL 20 HB VAL 20 3.790 5.378 -2.283 162 1HG1 VAL 20 1HG1 VAL 20 5.781 6.324 -0.441 163 2HG1 VAL 20 2HG1 VAL 20 4.975 7.711 -1.171 164 3HG1 VAL 20 3HG1 VAL 20 5.740 6.496 -2.195 165 1HG2 VAL 20 1HG2 VAL 20 3.195 5.139 0.572 166 2HG2 VAL 20 2HG2 VAL 20 4.867 4.729 0.196 167 3HG2 VAL 20 3HG2 VAL 20 3.549 3.876 -0.608 168 H GLU 21 H GLU 21 2.453 6.205 -3.601 169 HA GLU 21 HA GLU 21 3.251 8.424 -5.045 170 1HB GLU 21 2HB GLU 21 1.179 6.296 -5.358 171 2HB GLU 21 1HB GLU 21 1.153 7.625 -6.519 172 1HG GLU 21 2HG GLU 21 3.004 6.865 -7.565 173 2HG GLU 21 1HG GLU 21 3.861 6.650 -6.038 174 H ARG 22 H ARG 22 0.244 8.045 -3.227 175 HA ARG 22 HA ARG 22 -1.319 10.146 -4.232 176 1HB ARG 22 2HB ARG 22 -1.812 8.426 -2.421 177 2HB ARG 22 1HB ARG 22 -0.919 9.461 -1.306 178 1HG ARG 22 2HG ARG 22 -2.672 10.857 -1.086 179 2HG ARG 22 1HG ARG 22 -2.837 11.011 -2.835 180 1HD ARG 22 2HD ARG 22 -4.382 9.272 -2.980 181 2HD ARG 22 1HD ARG 22 -3.777 8.479 -1.511 182 HE ARG 22 HE ARG 22 -5.125 9.943 -0.218 183 1HH1 ARG 22 1HH2 ARG 22 -6.624 9.990 -2.999 184 2HH1 ARG 22 2HH2 ARG 22 -7.021 11.674 -3.068 185 1HH2 ARG 22 1HH1 ARG 22 -4.861 12.562 -0.505 186 2HH2 ARG 22 2HH1 ARG 22 -6.023 13.131 -1.657 187 H ARG 23 H ARG 23 1.401 10.303 -1.936 188 HA ARG 23 HA ARG 23 1.217 12.994 -1.121 189 1HB ARG 23 2HB ARG 23 3.178 10.847 -1.270 190 2HB ARG 23 1HB ARG 23 3.939 12.421 -1.512 191 1HG ARG 23 2HG ARG 23 2.087 11.729 0.788 192 2HG ARG 23 1HG ARG 23 3.846 11.791 0.891 193 1HD ARG 23 2HD ARG 23 3.856 14.166 0.364 194 2HD ARG 23 1HD ARG 23 2.108 14.141 0.056 195 HE ARG 23 HE ARG 23 3.351 14.184 2.680 196 1HH1 ARG 23 1HH2 ARG 23 0.669 15.339 2.144 197 2HH1 ARG 23 2HH2 ARG 23 -0.392 14.202 2.907 198 1HH2 ARG 23 1HH1 ARG 23 2.000 11.699 3.101 199 2HH2 ARG 23 2HH1 ARG 23 0.362 12.141 3.449 200 H ARG 24 H ARG 24 3.551 11.942 -3.624 201 HA ARG 24 HA ARG 24 3.929 14.515 -4.759 202 1HB ARG 24 2HB ARG 24 4.847 13.188 -6.667 203 2HB ARG 24 1HB ARG 24 5.409 12.589 -5.107 204 1HG ARG 24 2HG ARG 24 3.357 10.999 -5.229 205 2HG ARG 24 1HG ARG 24 3.342 11.397 -6.946 206 1HD ARG 24 2HD ARG 24 6.040 10.847 -6.356 207 2HD ARG 24 1HD ARG 24 5.107 9.583 -5.529 208 HE ARG 24 HE ARG 24 4.068 9.019 -7.673 209 1HH1 ARG 24 1HH1 ARG 24 5.128 12.013 -8.408 210 2HH1 ARG 24 2HH1 ARG 24 6.042 11.587 -9.817 211 1HH2 ARG 24 1HH2 ARG 24 5.872 8.175 -9.219 212 2HH2 ARG 24 2HH2 ARG 24 6.464 9.414 -10.275 213 H ALA 25 H ALA 25 1.709 11.889 -5.774 214 HA ALA 25 HA ALA 25 0.578 12.971 -8.069 215 1HB ALA 25 1HB ALA 25 -0.363 11.332 -5.759 216 2HB ALA 25 2HB ALA 25 -0.323 10.927 -7.475 217 3HB ALA 25 3HB ALA 25 -1.605 11.961 -6.843 218 H GLU 26 H GLU 26 -0.020 13.908 -4.704 219 HA GLU 26 HA GLU 26 -2.073 15.856 -5.394 220 1HB GLU 26 2HB GLU 26 -0.613 14.885 -2.966 221 2HB GLU 26 1HB GLU 26 -1.475 16.419 -2.866 222 1HG GLU 26 2HG GLU 26 -2.746 13.864 -3.876 223 2HG GLU 26 1HG GLU 26 -2.849 14.402 -2.200 224 H GLY 27 H GLY 27 1.410 15.845 -4.824 225 1HA GLY 27 2HA GLY 27 2.510 17.792 -6.104 226 2HA GLY 27 1HA GLY 27 1.430 18.816 -5.157 227 H ALA 28 H ALA 28 3.047 15.929 -3.917 228 HA ALA 28 HA ALA 28 4.132 17.435 -1.665 229 1HB ALA 28 1HB ALA 28 5.171 15.081 -1.278 230 2HB ALA 28 2HB ALA 28 4.217 14.593 -2.679 231 3HB ALA 28 3HB ALA 28 3.412 15.220 -1.240 232 H LYS 29 H LYS 29 6.637 16.476 -1.235 233 HA LYS 29 HA LYS 29 8.410 16.436 -3.491 234 1HB LYS 29 2HB LYS 29 9.273 18.835 -3.059 235 2HB LYS 29 1HB LYS 29 7.739 18.678 -3.916 236 1HG LYS 29 2HG LYS 29 6.697 19.849 -2.305 237 2HG LYS 29 1HG LYS 29 7.210 18.671 -1.098 238 1HD LYS 29 2HD LYS 29 8.730 20.107 -0.266 239 2HD LYS 29 1HD LYS 29 9.449 20.325 -1.862 240 1HE LYS 29 2HE LYS 29 8.043 22.153 -2.382 241 2HE LYS 29 1HE LYS 29 6.877 21.728 -1.113 242 1HZ LYS 29 1HZ LYS 29 8.683 23.561 -0.692 243 2HZ LYS 29 2HZ LYS 29 9.667 22.218 -0.353 244 3HZ LYS 29 3HZ LYS 29 8.244 22.480 0.538 245 H SER 30 H SER 30 7.913 17.270 -0.087 246 HA SER 30 HA SER 30 10.587 17.302 0.832 247 1HB SER 30 2HB SER 30 8.071 16.220 2.141 248 2HB SER 30 1HB SER 30 9.535 16.698 2.995 249 HG SER 30 HG SER 30 7.729 18.291 2.746 250 H THR 31 H THR 31 11.950 15.614 1.639 251 HA THR 31 HA THR 31 11.627 13.020 0.310 252 HB THR 31 HB THR 31 13.681 14.143 2.246 253 HG1 THR 31 1HG THR 31 13.351 14.167 -0.540 254 1HG2 THR 31 1HG2 THR 31 13.664 11.676 0.496 255 2HG2 THR 31 2HG2 THR 31 13.832 11.744 2.251 256 3HG2 THR 31 3HG2 THR 31 15.128 12.346 1.217 257 H ASP 32 H ASP 32 10.083 14.163 2.906 258 HA ASP 32 HA ASP 32 10.631 12.120 4.914 259 1HB ASP 32 2HB ASP 32 8.968 14.506 4.507 260 2HB ASP 32 1HB ASP 32 8.158 13.254 5.448 261 H VAL 33 H VAL 33 9.207 11.872 1.943 262 HA VAL 33 HA VAL 33 7.293 9.757 2.880 263 HB VAL 33 HB VAL 33 7.209 11.759 0.612 264 1HG1 VAL 33 1HG1 VAL 33 6.485 9.740 -0.427 265 2HG1 VAL 33 2HG1 VAL 33 5.004 10.564 0.057 266 3HG1 VAL 33 3HG1 VAL 33 5.618 9.219 1.017 267 1HG2 VAL 33 1HG2 VAL 33 4.901 11.198 2.398 268 2HG2 VAL 33 2HG2 VAL 33 5.506 12.740 1.791 269 3HG2 VAL 33 3HG2 VAL 33 6.298 11.960 3.158 270 H SER 34 H SER 34 7.290 7.801 1.654 271 HA SER 34 HA SER 34 8.720 7.357 -0.776 272 1HB SER 34 2HB SER 34 10.295 7.656 1.619 273 2HB SER 34 1HB SER 34 10.469 6.012 1.013 274 HG SER 34 HG SER 34 10.629 7.334 -1.120 275 H PHE 35 H PHE 35 8.592 5.127 -1.407 276 HA PHE 35 HA PHE 35 6.457 3.572 -0.524 277 1HB PHE 35 2HB PHE 35 7.616 3.109 -2.574 278 2HB PHE 35 1HB PHE 35 9.141 2.850 -1.728 279 HD1 PHE 35 1HD PHE 35 5.611 1.589 -1.418 280 HD2 PHE 35 2HD PHE 35 9.795 0.628 -1.588 281 HE1 PHE 35 1HE PHE 35 5.069 -0.819 -1.171 282 HE2 PHE 35 2HE PHE 35 9.252 -1.779 -1.341 283 HZ PHE 35 HZ PHE 35 6.889 -2.502 -1.132 284 H SER 36 H SER 36 9.883 2.953 0.366 285 HA SER 36 HA SER 36 9.372 0.984 2.343 286 1HB SER 36 2HB SER 36 11.537 2.172 1.178 287 2HB SER 36 1HB SER 36 11.612 2.871 2.793 288 HG SER 36 HG SER 36 12.363 0.464 2.033 289 H SER 37 H SER 37 9.334 4.519 2.544 290 HA SER 37 HA SER 37 9.263 4.721 5.418 291 1HB SER 37 2HB SER 37 9.650 6.439 3.438 292 2HB SER 37 1HB SER 37 7.907 6.663 3.572 293 HG SER 37 HG SER 37 9.954 7.243 5.389 294 H ILE 38 H ILE 38 6.621 5.021 3.006 295 HA ILE 38 HA ILE 38 4.490 5.075 4.916 296 HB ILE 38 HB ILE 38 4.696 4.280 2.000 297 1HG1 ILE 38 2HG1 ILE 38 5.236 6.659 2.791 298 2HG1 ILE 38 1HG1 ILE 38 3.992 6.518 1.549 299 1HG2 ILE 38 1HG2 ILE 38 2.380 4.336 3.876 300 2HG2 ILE 38 2HG2 ILE 38 2.654 3.322 2.459 301 3HG2 ILE 38 3HG2 ILE 38 2.120 4.991 2.260 302 1HD1 ILE 38 1HD1 ILE 38 2.943 6.323 4.289 303 2HD1 ILE 38 2HD1 ILE 38 2.367 7.288 2.930 304 3HD1 ILE 38 3HD1 ILE 38 3.694 7.878 3.929 305 H SER 39 H SER 39 5.710 2.375 2.890 306 HA SER 39 HA SER 39 4.004 0.337 3.839 307 1HB SER 39 2HB SER 39 5.456 -1.027 2.659 308 2HB SER 39 1HB SER 39 5.958 0.537 2.021 309 HG SER 39 HG SER 39 7.795 -0.457 2.707 310 H THR 40 H THR 40 7.299 1.125 5.028 311 HA THR 40 HA THR 40 7.504 -0.693 7.132 312 HB THR 40 HB THR 40 8.388 2.176 6.785 313 HG1 THR 40 1HG THR 40 9.587 0.983 5.503 314 1HG2 THR 40 1HG2 THR 40 9.214 0.241 8.967 315 2HG2 THR 40 2HG2 THR 40 8.234 1.687 9.204 316 3HG2 THR 40 3HG2 THR 40 9.912 1.835 8.683 317 H MET 41 H MET 41 6.232 2.654 7.458 318 HA MET 41 HA MET 41 5.307 2.295 10.152 319 1HB MET 41 2HB MET 41 4.210 4.438 9.739 320 2HB MET 41 1HB MET 41 5.800 4.448 8.977 321 1HG MET 41 2HG MET 41 4.933 4.414 6.847 322 2HG MET 41 1HG MET 41 3.515 3.483 7.324 323 1HE MET 41 1HE MET 41 1.265 5.601 6.306 324 2HE MET 41 2HE MET 41 0.879 5.290 7.995 325 3HE MET 41 3HE MET 41 1.714 4.060 7.052 326 H LEU 42 H LEU 42 3.923 1.462 7.057 327 HA LEU 42 HA LEU 42 1.156 1.356 7.843 328 1HB LEU 42 2HB LEU 42 2.757 0.956 5.563 329 2HB LEU 42 1HB LEU 42 1.921 -0.577 5.824 330 HG LEU 42 HG LEU 42 0.190 1.760 6.206 331 1HD1 LEU 42 1HD1 LEU 42 0.441 1.377 3.355 332 2HD1 LEU 42 2HD1 LEU 42 1.991 1.881 4.030 333 3HD1 LEU 42 3HD1 LEU 42 0.554 2.871 4.282 334 1HD2 LEU 42 1HD2 LEU 42 -1.371 0.271 5.476 335 2HD2 LEU 42 2HD2 LEU 42 -0.095 -0.925 5.706 336 3HD2 LEU 42 3HD2 LEU 42 -0.381 -0.236 4.108 337 H LEU 43 H LEU 43 3.579 -1.273 7.482 338 HA LEU 43 HA LEU 43 1.900 -3.336 8.538 339 1HB LEU 43 2HB LEU 43 3.946 -3.666 7.186 340 2HB LEU 43 1HB LEU 43 4.920 -3.048 8.524 341 HG LEU 43 HG LEU 43 3.306 -5.001 9.695 342 1HD1 LEU 43 1HD1 LEU 43 3.555 -5.528 6.878 343 2HD1 LEU 43 2HD1 LEU 43 2.759 -6.506 8.113 344 3HD1 LEU 43 3HD1 LEU 43 4.474 -6.741 7.770 345 1HD2 LEU 43 1HD2 LEU 43 5.444 -6.241 9.889 346 2HD2 LEU 43 2HD2 LEU 43 5.673 -4.522 10.206 347 3HD2 LEU 43 3HD2 LEU 43 6.152 -5.203 8.652 348 H GLU 44 H GLU 44 4.371 -1.280 10.123 349 HA GLU 44 HA GLU 44 4.265 -2.460 12.705 350 1HB GLU 44 2HB GLU 44 4.905 0.239 11.543 351 2HB GLU 44 1HB GLU 44 4.843 0.061 13.297 352 1HG GLU 44 2HG GLU 44 7.111 -0.363 12.698 353 2HG GLU 44 1HG GLU 44 6.399 -1.949 13.003 354 H LEU 45 H LEU 45 2.012 -0.488 10.982 355 HA LEU 45 HA LEU 45 0.436 0.113 13.437 356 1HB LEU 45 2HB LEU 45 0.941 1.277 10.813 357 2HB LEU 45 1HB LEU 45 -0.786 1.182 11.154 358 HG LEU 45 HG LEU 45 0.683 2.066 13.495 359 1HD1 LEU 45 1HD1 LEU 45 2.206 3.420 12.523 360 2HD1 LEU 45 2HD1 LEU 45 0.848 4.399 11.968 361 3HD1 LEU 45 3HD1 LEU 45 1.520 3.149 10.922 362 1HD2 LEU 45 1HD2 LEU 45 -1.771 2.552 12.060 363 2HD2 LEU 45 2HD2 LEU 45 -0.996 4.092 12.433 364 3HD2 LEU 45 3HD2 LEU 45 -1.376 2.959 13.730 365 H GLY 46 H GLY 46 0.644 -2.239 11.001 366 1HA GLY 46 2HA GLY 46 -0.785 -4.030 10.475 367 2HA GLY 46 1HA GLY 46 -1.803 -3.527 11.826 368 H LEU 47 H LEU 47 -0.926 -1.416 9.144 369 HA LEU 47 HA LEU 47 -2.238 -0.544 7.370 370 1HB LEU 47 2HB LEU 47 -3.144 -3.152 7.825 371 2HB LEU 47 1HB LEU 47 -4.610 -2.171 7.839 372 HG LEU 47 HG LEU 47 -3.164 -1.130 5.708 373 1HD1 LEU 47 1HD1 LEU 47 -1.969 -3.561 6.232 374 2HD1 LEU 47 2HD1 LEU 47 -1.963 -2.749 4.668 375 3HD1 LEU 47 3HD1 LEU 47 -3.169 -3.986 5.014 376 1HD2 LEU 47 1HD2 LEU 47 -5.440 -3.084 5.978 377 2HD2 LEU 47 2HD2 LEU 47 -4.857 -2.619 4.380 378 3HD2 LEU 47 3HD2 LEU 47 -5.487 -1.393 5.480 379 H ARG 48 H ARG 48 -3.031 -0.512 10.632 380 HA ARG 48 HA ARG 48 -5.597 0.850 10.521 381 1HB ARG 48 2HB ARG 48 -3.794 -0.276 12.424 382 2HB ARG 48 1HB ARG 48 -4.104 1.391 12.910 383 1HG ARG 48 2HG ARG 48 -6.540 0.982 12.730 384 2HG ARG 48 1HG ARG 48 -6.216 -0.694 12.288 385 1HD ARG 48 2HD ARG 48 -5.210 -1.146 14.446 386 2HD ARG 48 1HD ARG 48 -5.282 0.572 14.888 387 HE ARG 48 HE ARG 48 -7.774 -0.970 14.278 388 1HH1 ARG 48 1HH2 ARG 48 -6.771 -1.042 17.127 389 2HH1 ARG 48 2HH2 ARG 48 -7.640 0.279 17.837 390 1HH2 ARG 48 1HH1 ARG 48 -8.517 1.685 14.791 391 2HH2 ARG 48 2HH1 ARG 48 -8.629 1.821 16.515 392 H VAL 49 H VAL 49 -2.621 1.854 9.486 393 HA VAL 49 HA VAL 49 -2.182 4.409 10.605 394 HB VAL 49 HB VAL 49 -1.138 4.802 8.294 395 1HG1 VAL 49 1HG1 VAL 49 0.650 3.797 9.218 396 2HG1 VAL 49 2HG1 VAL 49 -0.065 2.203 8.965 397 3HG1 VAL 49 3HG1 VAL 49 -0.432 3.111 10.429 398 1HG2 VAL 49 1HG2 VAL 49 -1.787 1.902 7.813 399 2HG2 VAL 49 2HG2 VAL 49 -1.275 3.128 6.655 400 3HG2 VAL 49 3HG2 VAL 49 -2.918 3.152 7.295 401 H TYR 50 H TYR 50 -2.763 5.100 7.365 402 HA TYR 50 HA TYR 50 -4.458 7.239 7.624 403 1HB TYR 50 2HB TYR 50 -5.271 6.502 5.285 404 2HB TYR 50 1HB TYR 50 -3.531 6.693 5.503 405 HD1 TYR 50 1HD TYR 50 -6.282 4.174 5.502 406 HD2 TYR 50 2HD TYR 50 -2.051 4.863 5.226 407 HE1 TYR 50 1HE TYR 50 -5.936 1.801 4.870 408 HE2 TYR 50 2HE TYR 50 -1.706 2.490 4.593 409 HH TYR 50 HH TYR 50 -4.444 0.213 4.439 410 H GLU 51 H GLU 51 -5.377 3.843 7.856 411 HA GLU 51 HA GLU 51 -8.192 4.111 7.554 412 1HB GLU 51 2HB GLU 51 -6.347 2.137 7.864 413 2HB GLU 51 1HB GLU 51 -7.075 2.145 9.467 414 1HG GLU 51 2HG GLU 51 -9.136 2.368 7.472 415 2HG GLU 51 1HG GLU 51 -8.116 0.974 7.116 416 H ALA 52 H ALA 52 -6.026 4.658 10.289 417 HA ALA 52 HA ALA 52 -8.109 4.797 12.310 418 1HB ALA 52 1HB ALA 52 -5.250 5.810 12.154 419 2HB ALA 52 2HB ALA 52 -5.776 4.263 12.817 420 3HB ALA 52 3HB ALA 52 -6.209 5.766 13.634 421 H GLN 53 H GLN 53 -6.460 7.153 10.230 422 HA GLN 53 HA GLN 53 -7.376 9.543 11.469 423 1HB GLN 53 2HB GLN 53 -6.828 8.924 8.548 424 2HB GLN 53 1HB GLN 53 -6.797 10.525 9.288 425 1HG GLN 53 2HG GLN 53 -5.107 8.429 10.559 426 2HG GLN 53 1HG GLN 53 -4.573 9.040 8.992 427 1HE2 GLN 53 1HE2 GLN 53 -3.009 10.616 9.402 428 2HE2 GLN 53 2HE2 GLN 53 -3.157 11.852 10.557 429 H MET 54 H MET 54 -8.700 7.971 8.520 430 HA MET 54 HA MET 54 -11.066 9.566 8.389 431 1HB MET 54 2HB MET 54 -11.766 7.871 6.784 432 2HB MET 54 1HB MET 54 -10.032 8.142 6.595 433 1HG MET 54 2HG MET 54 -9.734 6.191 8.259 434 2HG MET 54 1HG MET 54 -11.428 5.825 7.931 435 1HE MET 54 1HE MET 54 -12.139 6.523 5.497 436 2HE MET 54 2HE MET 54 -11.544 5.587 4.128 437 3HE MET 54 3HE MET 54 -10.821 7.150 4.497 438 H GLU 55 H GLU 55 -10.394 6.467 9.995 439 HA GLU 55 HA GLU 55 -11.797 5.123 11.369 440 1HB GLU 55 2HB GLU 55 -12.367 6.382 13.335 441 2HB GLU 55 1HB GLU 55 -10.911 7.120 12.674 442 1HG GLU 55 2HG GLU 55 -12.141 8.934 11.725 443 2HG GLU 55 1HG GLU 55 -13.682 8.119 11.989 444 H ARG 56 H ARG 56 -14.236 5.786 12.620 445 HA ARG 56 HA ARG 56 -16.090 5.496 10.344 446 1HB ARG 56 2HB ARG 56 -15.862 4.558 12.978 447 2HB ARG 56 1HB ARG 56 -17.254 5.644 13.008 448 1HG ARG 56 2HG ARG 56 -17.810 4.351 10.728 449 2HG ARG 56 1HG ARG 56 -16.881 3.083 11.529 450 1HD ARG 56 2HD ARG 56 -18.647 4.198 13.478 451 2HD ARG 56 1HD ARG 56 -19.599 3.836 12.024 452 HE ARG 56 HE ARG 56 -18.441 1.859 13.749 453 1HH1 ARG 56 1HH2 ARG 56 -19.415 2.626 10.554 454 2HH1 ARG 56 2HH2 ARG 56 -19.135 1.034 9.934 455 1HH2 ARG 56 1HH1 ARG 56 -17.833 -0.184 12.907 456 2HH2 ARG 56 2HH1 ARG 56 -18.240 -0.557 11.266 Start of MODEL 3 1 1H ALA 2 1H ALA 2 -4.639 -30.703 3.406 2 2H ALA 2 2H ALA 2 -5.160 -30.974 5.000 3 3H ALA 2 3H ALA 2 -3.742 -31.716 4.430 4 HA ALA 2 HA ALA 2 -3.640 -29.550 5.911 5 1HB ALA 2 1HB ALA 2 -1.777 -30.899 5.084 6 2HB ALA 2 2HB ALA 2 -1.441 -29.199 4.756 7 3HB ALA 2 3HB ALA 2 -1.997 -30.254 3.458 8 H LYS 3 H LYS 3 -3.022 -28.982 2.445 9 HA LYS 3 HA LYS 3 -5.024 -26.892 2.184 10 1HB LYS 3 2HB LYS 3 -3.291 -25.042 2.097 11 2HB LYS 3 1HB LYS 3 -3.534 -25.738 3.701 12 1HG LYS 3 2HG LYS 3 -1.578 -27.363 2.560 13 2HG LYS 3 1HG LYS 3 -1.141 -25.738 2.033 14 1HD LYS 3 2HD LYS 3 -1.414 -24.989 4.438 15 2HD LYS 3 1HD LYS 3 -1.563 -26.692 4.874 16 1HE LYS 3 2HE LYS 3 0.814 -25.483 3.411 17 2HE LYS 3 1HE LYS 3 0.781 -25.908 5.134 18 1HZ LYS 3 1HZ LYS 3 0.134 -28.174 4.490 19 2HZ LYS 3 2HZ LYS 3 1.660 -27.752 3.873 20 3HZ LYS 3 3HZ LYS 3 0.300 -27.756 2.856 21 H VAL 4 H VAL 4 -4.061 -25.372 0.187 22 HA VAL 4 HA VAL 4 -3.429 -27.359 -1.944 23 HB VAL 4 HB VAL 4 -4.529 -24.535 -1.886 24 1HG1 VAL 4 1HG1 VAL 4 -4.923 -25.026 -4.384 25 2HG1 VAL 4 2HG1 VAL 4 -3.710 -26.294 -4.202 26 3HG1 VAL 4 3HG1 VAL 4 -3.278 -24.611 -3.903 27 1HG2 VAL 4 1HG2 VAL 4 -5.795 -27.088 -2.908 28 2HG2 VAL 4 2HG2 VAL 4 -6.589 -25.555 -2.549 29 3HG2 VAL 4 3HG2 VAL 4 -5.965 -26.553 -1.236 30 H GLN 5 H GLN 5 -1.661 -25.489 0.062 31 HA GLN 5 HA GLN 5 0.518 -24.585 -0.068 32 1HB GLN 5 2HB GLN 5 0.548 -25.976 -2.760 33 2HB GLN 5 1HB GLN 5 1.924 -25.654 -1.703 34 1HG GLN 5 2HG GLN 5 0.885 -27.139 0.023 35 2HG GLN 5 1HG GLN 5 -0.382 -27.539 -1.137 36 1HE2 GLN 5 1HE2 GLN 5 1.951 -29.190 0.082 37 2HE2 GLN 5 2HE2 GLN 5 2.693 -29.887 -1.277 38 H ALA 6 H ALA 6 1.711 -22.856 -1.159 39 HA ALA 6 HA ALA 6 1.795 -20.810 -2.344 40 1HB ALA 6 1HB ALA 6 1.231 -21.058 -4.689 41 2HB ALA 6 2HB ALA 6 0.162 -22.412 -4.333 42 3HB ALA 6 3HB ALA 6 1.905 -22.590 -4.136 43 H TYR 7 H TYR 7 0.386 -19.665 -0.848 44 HA TYR 7 HA TYR 7 -2.136 -18.783 -2.079 45 1HB TYR 7 2HB TYR 7 -2.781 -20.866 -0.968 46 2HB TYR 7 1HB TYR 7 -2.033 -20.324 0.534 47 HD1 TYR 7 1HD TYR 7 -3.602 -19.693 2.132 48 HD2 TYR 7 2HD TYR 7 -4.323 -18.756 -1.998 49 HE1 TYR 7 1HE TYR 7 -5.702 -18.535 2.762 50 HE2 TYR 7 2HE TYR 7 -6.422 -17.596 -1.368 51 HH TYR 7 HH TYR 7 -8.054 -17.627 0.481 52 H VAL 8 H VAL 8 0.096 -17.238 -1.566 53 HA VAL 8 HA VAL 8 -0.934 -15.165 0.150 54 HB VAL 8 HB VAL 8 -0.366 -16.698 1.924 55 1HG1 VAL 8 1HG1 VAL 8 1.761 -17.407 0.096 56 2HG1 VAL 8 2HG1 VAL 8 1.173 -18.289 1.506 57 3HG1 VAL 8 3HG1 VAL 8 2.423 -17.059 1.693 58 1HG2 VAL 8 1HG2 VAL 8 1.122 -14.235 1.495 59 2HG2 VAL 8 2HG2 VAL 8 2.031 -15.362 2.502 60 3HG2 VAL 8 3HG2 VAL 8 0.410 -14.860 2.982 61 H SER 9 H SER 9 0.008 -13.297 -0.588 62 HA SER 9 HA SER 9 2.846 -13.310 -1.458 63 1HB SER 9 2HB SER 9 0.668 -13.654 -3.222 64 2HB SER 9 1HB SER 9 1.188 -11.984 -3.432 65 HG SER 9 HG SER 9 2.284 -13.987 -4.541 66 H ASP 10 H ASP 10 3.787 -11.282 -1.141 67 HA ASP 10 HA ASP 10 2.485 -9.347 0.500 68 1HB ASP 10 2HB ASP 10 5.039 -9.952 -0.433 69 2HB ASP 10 1HB ASP 10 4.710 -8.366 -1.130 70 H GLU 11 H GLU 11 0.476 -9.237 -1.028 71 HA GLU 11 HA GLU 11 0.675 -7.800 -3.531 72 1HB GLU 11 2HB GLU 11 -1.780 -7.745 -3.301 73 2HB GLU 11 1HB GLU 11 -1.159 -9.338 -2.863 74 1HG GLU 11 2HG GLU 11 -2.020 -9.149 -0.795 75 2HG GLU 11 1HG GLU 11 -1.144 -7.638 -0.538 76 H ILE 12 H ILE 12 1.074 -6.768 -0.341 77 HA ILE 12 HA ILE 12 -0.267 -4.234 -0.330 78 HB ILE 12 HB ILE 12 1.445 -3.777 1.475 79 1HG1 ILE 12 2HG1 ILE 12 2.457 -6.526 1.418 80 2HG1 ILE 12 1HG1 ILE 12 2.963 -5.589 0.012 81 1HG2 ILE 12 1HG2 ILE 12 0.552 -5.409 2.976 82 2HG2 ILE 12 2HG2 ILE 12 0.292 -6.568 1.672 83 3HG2 ILE 12 3HG2 ILE 12 -0.710 -5.120 1.778 84 1HD1 ILE 12 1HD1 ILE 12 3.487 -3.732 1.811 85 2HD1 ILE 12 2HD1 ILE 12 4.636 -5.042 1.536 86 3HD1 ILE 12 3HD1 ILE 12 3.540 -5.105 2.916 87 H VAL 13 H VAL 13 2.501 -5.340 -2.056 88 HA VAL 13 HA VAL 13 4.062 -2.970 -2.263 89 HB VAL 13 HB VAL 13 3.517 -5.327 -4.083 90 1HG1 VAL 13 1HG1 VAL 13 5.145 -2.866 -4.530 91 2HG1 VAL 13 2HG1 VAL 13 4.316 -3.892 -5.700 92 3HG1 VAL 13 3HG1 VAL 13 5.858 -4.406 -5.014 93 1HG2 VAL 13 1HG2 VAL 13 5.743 -6.028 -3.310 94 2HG2 VAL 13 2HG2 VAL 13 4.688 -5.736 -1.927 95 3HG2 VAL 13 3HG2 VAL 13 5.903 -4.540 -2.376 96 H TYR 14 H TYR 14 1.848 -4.217 -4.791 97 HA TYR 14 HA TYR 14 1.693 -1.775 -6.254 98 1HB TYR 14 2HB TYR 14 0.880 -4.378 -6.526 99 2HB TYR 14 1HB TYR 14 -0.663 -3.563 -6.259 100 HD1 TYR 14 1HD TYR 14 -0.438 -0.999 -7.499 101 HD2 TYR 14 2HD TYR 14 1.200 -4.748 -8.807 102 HE1 TYR 14 1HE TYR 14 -0.405 -0.170 -9.837 103 HE2 TYR 14 2HE TYR 14 1.232 -3.920 -11.144 104 HH TYR 14 HH TYR 14 -0.454 -1.615 -12.299 105 H LYS 15 H LYS 15 -0.160 -2.972 -3.488 106 HA LYS 15 HA LYS 15 -2.265 -0.981 -3.655 107 1HB LYS 15 2HB LYS 15 -2.544 -3.128 -2.525 108 2HB LYS 15 1HB LYS 15 -1.219 -2.751 -1.424 109 1HG LYS 15 2HG LYS 15 -2.491 -1.330 -0.160 110 2HG LYS 15 1HG LYS 15 -3.405 -0.748 -1.552 111 1HD LYS 15 2HD LYS 15 -3.754 -3.513 -0.364 112 2HD LYS 15 1HD LYS 15 -4.759 -2.130 0.071 113 1HE LYS 15 2HE LYS 15 -5.891 -2.164 -1.926 114 2HE LYS 15 1HE LYS 15 -4.450 -2.641 -2.845 115 1HZ LYS 15 1HZ LYS 15 -5.537 -4.510 -0.863 116 2HZ LYS 15 2HZ LYS 15 -4.706 -4.834 -2.308 117 3HZ LYS 15 3HZ LYS 15 -6.340 -4.369 -2.351 118 H ILE 16 H ILE 16 0.521 -1.339 -1.418 119 HA ILE 16 HA ILE 16 0.213 1.186 -0.124 120 HB ILE 16 HB ILE 16 2.648 -0.542 -0.675 121 1HG1 ILE 16 2HG1 ILE 16 0.636 -1.554 0.535 122 2HG1 ILE 16 1HG1 ILE 16 2.162 -1.599 1.417 123 1HG2 ILE 16 1HG2 ILE 16 2.270 1.983 0.802 124 2HG2 ILE 16 2HG2 ILE 16 3.751 1.249 0.189 125 3HG2 ILE 16 3HG2 ILE 16 3.074 0.714 1.726 126 1HD1 ILE 16 1HD1 ILE 16 0.609 0.863 1.851 127 2HD1 ILE 16 2HD1 ILE 16 1.413 -0.180 3.023 128 3HD1 ILE 16 3HD1 ILE 16 -0.191 -0.600 2.424 129 H ASN 17 H ASN 17 2.235 0.231 -2.917 130 HA ASN 17 HA ASN 17 3.635 2.578 -3.432 131 1HB ASN 17 2HB ASN 17 3.589 0.327 -4.651 132 2HB ASN 17 1HB ASN 17 2.194 0.945 -5.537 133 1HD2 ASN 17 1HD2 ASN 17 5.633 0.920 -5.439 134 2HD2 ASN 17 2HD2 ASN 17 5.899 2.115 -6.615 135 H LYS 18 H LYS 18 0.247 1.866 -4.319 136 HA LYS 18 HA LYS 18 -0.302 4.202 -5.830 137 1HB LYS 18 2HB LYS 18 -1.818 2.220 -4.183 138 2HB LYS 18 1HB LYS 18 -2.670 3.679 -4.692 139 1HG LYS 18 2HG LYS 18 -2.594 3.116 -6.921 140 2HG LYS 18 1HG LYS 18 -1.060 2.258 -6.759 141 1HD LYS 18 2HD LYS 18 -2.303 0.366 -6.846 142 2HD LYS 18 1HD LYS 18 -2.759 0.752 -5.186 143 1HE LYS 18 2HE LYS 18 -4.266 1.652 -7.670 144 2HE LYS 18 1HE LYS 18 -4.782 0.374 -6.552 145 1HZ LYS 18 1HZ LYS 18 -4.760 1.951 -4.747 146 2HZ LYS 18 2HZ LYS 18 -5.760 2.541 -5.988 147 3HZ LYS 18 3HZ LYS 18 -4.202 3.182 -5.772 148 H ILE 19 H ILE 19 -0.325 3.671 -2.316 149 HA ILE 19 HA ILE 19 -1.467 6.237 -1.629 150 HB ILE 19 HB ILE 19 0.273 4.265 -0.112 151 1HG1 ILE 19 2HG1 ILE 19 -1.889 3.381 -1.025 152 2HG1 ILE 19 1HG1 ILE 19 -1.843 3.402 0.738 153 1HG2 ILE 19 1HG2 ILE 19 0.334 6.341 1.080 154 2HG2 ILE 19 2HG2 ILE 19 -0.890 5.357 1.884 155 3HG2 ILE 19 3HG2 ILE 19 -1.377 6.641 0.778 156 1HD1 ILE 19 1HD1 ILE 19 -3.119 5.479 0.791 157 2HD1 ILE 19 2HD1 ILE 19 -3.990 4.292 -0.179 158 3HD1 ILE 19 3HD1 ILE 19 -3.081 5.581 -0.969 159 H VAL 20 H VAL 20 1.899 5.011 -1.672 160 HA VAL 20 HA VAL 20 3.170 7.409 -0.812 161 HB VAL 20 HB VAL 20 4.230 5.380 -2.797 162 1HG1 VAL 20 1HG1 VAL 20 5.521 7.011 -0.588 163 2HG1 VAL 20 2HG1 VAL 20 5.697 7.293 -2.320 164 3HG1 VAL 20 3HG1 VAL 20 6.356 5.827 -1.593 165 1HG2 VAL 20 1HG2 VAL 20 3.766 3.797 -1.250 166 2HG2 VAL 20 2HG2 VAL 20 3.245 5.007 -0.077 167 3HG2 VAL 20 3HG2 VAL 20 4.954 4.588 -0.212 168 H GLU 21 H GLU 21 2.482 6.233 -4.127 169 HA GLU 21 HA GLU 21 3.650 8.298 -5.625 170 1HB GLU 21 2HB GLU 21 2.481 6.156 -6.363 171 2HB GLU 21 1HB GLU 21 0.957 7.020 -6.166 172 1HG GLU 21 2HG GLU 21 2.906 8.566 -7.695 173 2HG GLU 21 1HG GLU 21 2.540 7.018 -8.455 174 H ARG 22 H ARG 22 0.212 8.189 -4.580 175 HA ARG 22 HA ARG 22 -0.656 10.695 -5.386 176 1HB ARG 22 2HB ARG 22 -1.277 8.726 -3.327 177 2HB ARG 22 1HB ARG 22 -1.667 10.361 -2.791 178 1HG ARG 22 2HG ARG 22 -2.458 9.834 -5.569 179 2HG ARG 22 1HG ARG 22 -3.273 8.793 -4.402 180 1HD ARG 22 2HD ARG 22 -3.622 11.043 -3.063 181 2HD ARG 22 1HD ARG 22 -3.382 11.785 -4.659 182 HE ARG 22 HE ARG 22 -5.188 10.153 -5.463 183 1HH1 ARG 22 1HH1 ARG 22 -5.407 8.846 -2.710 184 2HH1 ARG 22 2HH1 ARG 22 -6.846 9.595 -2.101 185 1HH2 ARG 22 1HH2 ARG 22 -6.838 12.137 -4.458 186 2HH2 ARG 22 2HH2 ARG 22 -7.655 11.459 -3.091 187 H ARG 23 H ARG 23 1.104 9.972 -2.354 188 HA ARG 23 HA ARG 23 1.188 12.544 -1.226 189 1HB ARG 23 2HB ARG 23 3.285 10.349 -1.329 190 2HB ARG 23 1HB ARG 23 3.291 11.683 -0.173 191 1HG ARG 23 2HG ARG 23 0.976 9.754 -0.486 192 2HG ARG 23 1HG ARG 23 2.258 9.552 0.708 193 1HD ARG 23 2HD ARG 23 1.533 12.176 1.119 194 2HD ARG 23 1HD ARG 23 -0.021 11.418 0.723 195 HE ARG 23 HE ARG 23 1.252 9.626 2.455 196 1HH1 ARG 23 1HH2 ARG 23 1.553 12.898 2.950 197 2HH1 ARG 23 2HH2 ARG 23 0.675 12.949 4.442 198 1HH2 ARG 23 1HH1 ARG 23 -0.461 9.684 4.194 199 2HH2 ARG 23 2HH1 ARG 23 -0.464 11.130 5.147 200 H ARG 24 H ARG 24 3.928 11.143 -3.067 201 HA ARG 24 HA ARG 24 5.249 13.625 -3.523 202 1HB ARG 24 2HB ARG 24 5.765 10.977 -3.887 203 2HB ARG 24 1HB ARG 24 5.480 11.472 -5.555 204 1HG ARG 24 2HG ARG 24 7.059 13.514 -4.720 205 2HG ARG 24 1HG ARG 24 7.689 12.206 -3.718 206 1HD ARG 24 2HD ARG 24 7.261 11.280 -6.440 207 2HD ARG 24 1HD ARG 24 8.344 12.687 -6.407 208 HE ARG 24 HE ARG 24 8.835 10.540 -4.417 209 1HH1 ARG 24 1HH1 ARG 24 9.549 9.780 -7.290 210 2HH1 ARG 24 2HH1 ARG 24 11.219 10.235 -7.347 211 1HH2 ARG 24 1HH2 ARG 24 11.060 12.183 -4.482 212 2HH2 ARG 24 2HH2 ARG 24 12.073 11.597 -5.759 213 H ALA 25 H ALA 25 2.976 11.795 -5.601 214 HA ALA 25 HA ALA 25 2.982 13.279 -7.939 215 1HB ALA 25 1HB ALA 25 1.045 11.738 -6.341 216 2HB ALA 25 2HB ALA 25 1.374 11.668 -8.072 217 3HB ALA 25 3HB ALA 25 0.290 12.901 -7.429 218 H GLU 26 H GLU 26 1.329 14.139 -4.896 219 HA GLU 26 HA GLU 26 0.477 16.727 -5.980 220 1HB GLU 26 2HB GLU 26 0.054 15.058 -3.546 221 2HB GLU 26 1HB GLU 26 -0.207 16.796 -3.388 222 1HG GLU 26 2HG GLU 26 -1.667 16.633 -5.475 223 2HG GLU 26 1HG GLU 26 -1.583 14.882 -5.284 224 H GLY 27 H GLY 27 3.120 15.411 -4.146 225 1HA GLY 27 2HA GLY 27 5.086 16.470 -3.400 226 2HA GLY 27 1HA GLY 27 4.506 17.959 -4.147 227 H ALA 28 H ALA 28 2.712 16.093 -1.743 228 HA ALA 28 HA ALA 28 2.685 18.501 0.003 229 1HB ALA 28 1HB ALA 28 1.054 15.985 -0.321 230 2HB ALA 28 2HB ALA 28 0.522 17.664 -0.426 231 3HB ALA 28 3HB ALA 28 0.904 16.956 1.144 232 H LYS 29 H LYS 29 5.118 16.994 -0.091 233 HA LYS 29 HA LYS 29 5.683 16.625 2.685 234 1HB LYS 29 2HB LYS 29 4.090 14.633 1.766 235 2HB LYS 29 1HB LYS 29 5.669 13.952 1.379 236 1HG LYS 29 2HG LYS 29 4.899 13.298 3.653 237 2HG LYS 29 1HG LYS 29 6.396 14.229 3.697 238 1HD LYS 29 2HD LYS 29 5.354 16.124 4.554 239 2HD LYS 29 1HD LYS 29 3.780 15.683 3.892 240 1HE LYS 29 2HE LYS 29 4.661 13.646 5.751 241 2HE LYS 29 1HE LYS 29 4.668 15.241 6.531 242 1HZ LYS 29 1HZ LYS 29 2.440 13.839 5.208 243 2HZ LYS 29 2HZ LYS 29 2.452 15.538 5.263 244 3HZ LYS 29 3HZ LYS 29 2.460 14.638 6.704 245 H SER 30 H SER 30 6.849 17.645 0.125 246 HA SER 30 HA SER 30 8.946 17.693 -0.965 247 1HB SER 30 2HB SER 30 9.240 17.099 1.863 248 2HB SER 30 1HB SER 30 10.561 16.391 0.937 249 HG SER 30 HG SER 30 9.718 19.024 0.422 250 H THR 31 H THR 31 11.029 15.966 -1.163 251 HA THR 31 HA THR 31 9.808 13.623 -2.484 252 HB THR 31 HB THR 31 12.184 13.332 -3.256 253 HG1 THR 31 1HG THR 31 13.142 14.245 -1.387 254 1HG2 THR 31 1HG2 THR 31 10.327 15.171 -4.052 255 2HG2 THR 31 2HG2 THR 31 11.861 14.891 -4.877 256 3HG2 THR 31 3HG2 THR 31 11.713 16.209 -3.715 257 H ASP 32 H ASP 32 10.053 13.964 0.573 258 HA ASP 32 HA ASP 32 11.960 11.887 1.379 259 1HB ASP 32 2HB ASP 32 10.442 14.022 2.522 260 2HB ASP 32 1HB ASP 32 10.027 12.541 3.387 261 H VAL 33 H VAL 33 8.626 12.027 0.406 262 HA VAL 33 HA VAL 33 7.621 9.714 1.776 263 HB VAL 33 HB VAL 33 6.926 11.174 -0.782 264 1HG1 VAL 33 1HG1 VAL 33 4.662 9.813 -0.179 265 2HG1 VAL 33 2HG1 VAL 33 5.870 8.631 0.328 266 3HG1 VAL 33 3HG1 VAL 33 5.860 9.225 -1.332 267 1HG2 VAL 33 1HG2 VAL 33 5.349 12.301 0.511 268 2HG2 VAL 33 2HG2 VAL 33 6.637 12.065 1.693 269 3HG2 VAL 33 3HG2 VAL 33 5.236 10.995 1.691 270 H SER 34 H SER 34 7.395 7.547 0.983 271 HA SER 34 HA SER 34 8.334 6.614 -1.555 272 1HB SER 34 2HB SER 34 10.573 6.305 -1.214 273 2HB SER 34 1HB SER 34 10.368 7.525 0.039 274 HG SER 34 HG SER 34 11.122 5.022 0.327 275 H PHE 35 H PHE 35 7.993 4.347 -1.741 276 HA PHE 35 HA PHE 35 6.108 3.034 -0.210 277 1HB PHE 35 2HB PHE 35 7.239 2.335 -2.372 278 2HB PHE 35 1HB PHE 35 8.575 1.728 -1.394 279 HD1 PHE 35 1HD PHE 35 8.184 -0.109 0.261 280 HD2 PHE 35 2HD PHE 35 5.163 1.141 -2.525 281 HE1 PHE 35 1HE PHE 35 6.936 -2.213 0.670 282 HE2 PHE 35 2HE PHE 35 3.914 -0.962 -2.116 283 HZ PHE 35 HZ PHE 35 4.802 -2.639 -0.518 284 H SER 36 H SER 36 9.623 2.417 0.195 285 HA SER 36 HA SER 36 9.577 0.887 2.516 286 1HB SER 36 2HB SER 36 11.851 1.641 2.793 287 2HB SER 36 1HB SER 36 11.525 1.632 1.062 288 HG SER 36 HG SER 36 11.478 3.848 2.836 289 H SER 37 H SER 37 9.195 4.405 2.241 290 HA SER 37 HA SER 37 9.239 4.844 5.134 291 1HB SER 37 2HB SER 37 9.975 6.653 3.829 292 2HB SER 37 1HB SER 37 8.699 6.431 2.633 293 HG SER 37 HG SER 37 8.377 8.230 4.083 294 H ILE 38 H ILE 38 6.725 4.727 2.593 295 HA ILE 38 HA ILE 38 4.533 5.257 4.427 296 HB ILE 38 HB ILE 38 4.758 4.130 1.619 297 1HG1 ILE 38 2HG1 ILE 38 5.455 6.510 2.018 298 2HG1 ILE 38 1HG1 ILE 38 4.061 6.365 0.947 299 1HG2 ILE 38 1HG2 ILE 38 2.425 4.484 3.425 300 2HG2 ILE 38 2HG2 ILE 38 2.644 3.373 2.074 301 3HG2 ILE 38 3HG2 ILE 38 2.221 5.057 1.771 302 1HD1 ILE 38 1HD1 ILE 38 3.639 8.126 2.587 303 2HD1 ILE 38 2HD1 ILE 38 3.988 7.012 3.909 304 3HD1 ILE 38 3HD1 ILE 38 2.562 6.764 2.900 305 H SER 39 H SER 39 6.005 2.327 3.047 306 HA SER 39 HA SER 39 4.032 0.503 4.155 307 1HB SER 39 2HB SER 39 5.472 0.094 2.157 308 2HB SER 39 1HB SER 39 6.884 0.068 3.211 309 HG SER 39 HG SER 39 6.334 -2.012 3.144 310 H THR 40 H THR 40 7.392 1.351 5.053 311 HA THR 40 HA THR 40 7.746 -0.280 7.294 312 HB THR 40 HB THR 40 8.604 2.540 6.616 313 HG1 THR 40 1HG THR 40 10.631 1.242 6.471 314 1HG2 THR 40 1HG2 THR 40 9.073 0.941 9.092 315 2HG2 THR 40 2HG2 THR 40 8.957 2.688 8.887 316 3HG2 THR 40 3HG2 THR 40 10.435 1.844 8.429 317 H MET 41 H MET 41 6.257 2.990 7.251 318 HA MET 41 HA MET 41 5.610 2.935 10.083 319 1HB MET 41 2HB MET 41 4.558 5.040 9.585 320 2HB MET 41 1HB MET 41 5.983 4.938 8.553 321 1HG MET 41 2HG MET 41 4.380 5.588 7.004 322 2HG MET 41 1HG MET 41 4.288 3.836 6.853 323 1HE MET 41 1HE MET 41 1.004 5.638 6.282 324 2HE MET 41 2HE MET 41 1.121 3.885 6.156 325 3HE MET 41 3HE MET 41 2.467 4.888 5.623 326 H LEU 42 H LEU 42 3.888 2.057 7.113 327 HA LEU 42 HA LEU 42 1.269 1.837 8.217 328 1HB LEU 42 2HB LEU 42 1.966 1.980 5.813 329 2HB LEU 42 1HB LEU 42 2.591 0.334 5.941 330 HG LEU 42 HG LEU 42 -0.125 0.666 6.955 331 1HD1 LEU 42 1HD1 LEU 42 0.588 1.745 4.347 332 2HD1 LEU 42 2HD1 LEU 42 -0.952 1.833 5.203 333 3HD1 LEU 42 3HD1 LEU 42 -0.577 0.429 4.203 334 1HD2 LEU 42 1HD2 LEU 42 1.550 -1.373 6.062 335 2HD2 LEU 42 2HD2 LEU 42 0.347 -1.224 4.781 336 3HD2 LEU 42 3HD2 LEU 42 -0.164 -1.537 6.438 337 H LEU 43 H LEU 43 3.767 -0.665 7.565 338 HA LEU 43 HA LEU 43 2.239 -2.789 8.787 339 1HB LEU 43 2HB LEU 43 4.162 -2.853 7.068 340 2HB LEU 43 1HB LEU 43 5.237 -2.696 8.460 341 HG LEU 43 HG LEU 43 3.323 -4.652 9.160 342 1HD1 LEU 43 1HD1 LEU 43 4.517 -5.127 6.407 343 2HD1 LEU 43 2HD1 LEU 43 2.807 -4.854 6.749 344 3HD1 LEU 43 3HD1 LEU 43 3.607 -6.307 7.350 345 1HD2 LEU 43 1HD2 LEU 43 5.397 -6.153 8.941 346 2HD2 LEU 43 2HD2 LEU 43 5.561 -4.743 9.987 347 3HD2 LEU 43 3HD2 LEU 43 6.244 -4.719 8.361 348 H GLU 44 H GLU 44 3.879 -0.166 10.167 349 HA GLU 44 HA GLU 44 4.883 -1.526 12.557 350 1HB GLU 44 2HB GLU 44 4.666 1.200 11.406 351 2HB GLU 44 1HB GLU 44 4.607 1.142 13.167 352 1HG GLU 44 2HG GLU 44 6.663 -0.620 12.528 353 2HG GLU 44 1HG GLU 44 6.872 0.701 11.377 354 H LEU 45 H LEU 45 2.014 0.125 11.456 355 HA LEU 45 HA LEU 45 0.668 -0.236 14.085 356 1HB LEU 45 2HB LEU 45 -0.754 1.497 13.317 357 2HB LEU 45 1HB LEU 45 0.831 1.942 12.692 358 HG LEU 45 HG LEU 45 -0.221 0.276 10.725 359 1HD1 LEU 45 1HD1 LEU 45 -2.350 2.310 11.292 360 2HD1 LEU 45 2HD1 LEU 45 -2.413 0.756 12.121 361 3HD1 LEU 45 3HD1 LEU 45 -2.454 0.818 10.360 362 1HD2 LEU 45 1HD2 LEU 45 1.107 2.432 10.551 363 2HD2 LEU 45 2HD2 LEU 45 -0.409 3.299 10.803 364 3HD2 LEU 45 3HD2 LEU 45 -0.204 2.277 9.381 365 H GLY 46 H GLY 46 1.073 -1.883 11.174 366 1HA GLY 46 2HA GLY 46 -0.011 -3.846 10.431 367 2HA GLY 46 1HA GLY 46 -1.168 -3.664 11.750 368 H LEU 47 H LEU 47 -0.528 -1.046 9.493 369 HA LEU 47 HA LEU 47 -2.002 0.070 8.022 370 1HB LEU 47 2HB LEU 47 -1.521 -2.511 7.240 371 2HB LEU 47 1HB LEU 47 -3.282 -2.478 7.264 372 HG LEU 47 HG LEU 47 -1.783 -0.221 5.969 373 1HD1 LEU 47 1HD1 LEU 47 -1.387 -1.380 4.006 374 2HD1 LEU 47 2HD1 LEU 47 -2.665 -2.552 4.315 375 3HD1 LEU 47 3HD1 LEU 47 -1.127 -2.678 5.169 376 1HD2 LEU 47 1HD2 LEU 47 -4.007 0.321 5.875 377 2HD2 LEU 47 2HD2 LEU 47 -4.525 -1.357 6.039 378 3HD2 LEU 47 3HD2 LEU 47 -3.985 -0.750 4.472 379 H ARG 48 H ARG 48 -3.115 -1.022 10.836 380 HA ARG 48 HA ARG 48 -5.969 -1.309 10.336 381 1HB ARG 48 2HB ARG 48 -4.186 -1.846 12.378 382 2HB ARG 48 1HB ARG 48 -5.092 -0.474 13.014 383 1HG ARG 48 2HG ARG 48 -7.164 -1.859 12.075 384 2HG ARG 48 1HG ARG 48 -6.055 -3.212 12.299 385 1HD ARG 48 2HD ARG 48 -6.190 -3.090 14.576 386 2HD ARG 48 1HD ARG 48 -6.147 -1.315 14.572 387 HE ARG 48 HE ARG 48 -8.611 -2.058 13.416 388 1HH1 ARG 48 1HH2 ARG 48 -8.152 -4.152 15.673 389 2HH1 ARG 48 2HH2 ARG 48 -9.050 -3.412 16.955 390 1HH2 ARG 48 1HH1 ARG 48 -9.256 -0.325 15.391 391 2HH2 ARG 48 2HH1 ARG 48 -9.674 -1.247 16.797 392 H VAL 49 H VAL 49 -4.412 1.148 12.397 393 HA VAL 49 HA VAL 49 -6.453 3.054 12.363 394 HB VAL 49 HB VAL 49 -3.465 3.575 12.300 395 1HG1 VAL 49 1HG1 VAL 49 -4.878 5.117 14.230 396 2HG1 VAL 49 2HG1 VAL 49 -5.770 5.235 12.712 397 3HG1 VAL 49 3HG1 VAL 49 -4.067 5.690 12.772 398 1HG2 VAL 49 1HG2 VAL 49 -5.210 2.183 14.243 399 2HG2 VAL 49 2HG2 VAL 49 -4.162 3.417 14.939 400 3HG2 VAL 49 3HG2 VAL 49 -3.462 2.081 14.026 401 H TYR 50 H TYR 50 -3.942 2.494 9.923 402 HA TYR 50 HA TYR 50 -4.029 4.771 8.349 403 1HB TYR 50 2HB TYR 50 -2.629 2.937 7.756 404 2HB TYR 50 1HB TYR 50 -3.995 1.823 7.676 405 HD1 TYR 50 1HD TYR 50 -2.322 4.674 5.999 406 HD2 TYR 50 2HD TYR 50 -5.389 1.679 5.721 407 HE1 TYR 50 1HE TYR 50 -2.598 5.180 3.586 408 HE2 TYR 50 2HE TYR 50 -5.664 2.185 3.310 409 HH TYR 50 HH TYR 50 -4.030 3.221 1.453 410 H GLU 51 H GLU 51 -6.348 2.032 8.118 411 HA GLU 51 HA GLU 51 -8.031 3.209 6.151 412 1HB GLU 51 2HB GLU 51 -7.728 0.825 7.425 413 2HB GLU 51 1HB GLU 51 -9.180 1.428 8.218 414 1HG GLU 51 2HG GLU 51 -9.321 1.921 5.376 415 2HG GLU 51 1HG GLU 51 -9.007 0.214 5.682 416 H ALA 52 H ALA 52 -7.559 4.030 9.442 417 HA ALA 52 HA ALA 52 -10.266 4.968 10.015 418 1HB ALA 52 1HB ALA 52 -7.980 6.080 11.513 419 2HB ALA 52 2HB ALA 52 -8.002 4.318 11.436 420 3HB ALA 52 3HB ALA 52 -9.382 5.188 12.105 421 H GLN 53 H GLN 53 -7.151 6.685 9.507 422 HA GLN 53 HA GLN 53 -8.531 9.226 9.109 423 1HB GLN 53 2HB GLN 53 -6.188 10.028 8.834 424 2HB GLN 53 1HB GLN 53 -6.391 9.055 10.291 425 1HG GLN 53 2HG GLN 53 -5.062 7.381 9.511 426 2HG GLN 53 1HG GLN 53 -5.704 7.508 7.874 427 1HE2 GLN 53 1HE2 GLN 53 -3.109 8.512 9.986 428 2HE2 GLN 53 2HE2 GLN 53 -2.270 9.443 8.842 429 H MET 54 H MET 54 -8.628 6.759 7.132 430 HA MET 54 HA MET 54 -7.369 7.391 4.693 431 1HB MET 54 2HB MET 54 -9.295 5.611 5.710 432 2HB MET 54 1HB MET 54 -10.085 6.415 4.354 433 1HG MET 54 2HG MET 54 -7.490 5.885 3.444 434 2HG MET 54 1HG MET 54 -7.962 4.430 4.323 435 1HE MET 54 1HE MET 54 -10.275 6.432 0.901 436 2HE MET 54 2HE MET 54 -8.967 7.112 1.866 437 3HE MET 54 3HE MET 54 -10.563 6.899 2.583 438 H GLU 55 H GLU 55 -10.231 8.825 6.183 439 HA GLU 55 HA GLU 55 -11.052 10.273 3.776 440 1HB GLU 55 2HB GLU 55 -12.247 9.473 6.085 441 2HB GLU 55 1HB GLU 55 -11.904 11.158 6.479 442 1HG GLU 55 2HG GLU 55 -13.430 11.946 4.990 443 2HG GLU 55 1HG GLU 55 -12.999 10.746 3.772 444 H ARG 56 H ARG 56 -11.524 12.839 4.703 445 HA ARG 56 HA ARG 56 -9.131 14.009 5.913 446 1HB ARG 56 2HB ARG 56 -9.363 13.542 3.043 447 2HB ARG 56 1HB ARG 56 -9.123 15.252 3.406 448 1HG ARG 56 2HG ARG 56 -7.428 13.350 4.929 449 2HG ARG 56 1HG ARG 56 -7.076 13.494 3.207 450 1HD ARG 56 2HD ARG 56 -7.526 16.092 4.524 451 2HD ARG 56 1HD ARG 56 -6.107 15.213 5.129 452 HE ARG 56 HE ARG 56 -6.116 14.969 2.302 453 1HH1 ARG 56 1HH1 ARG 56 -4.169 16.286 4.464 454 2HH1 ARG 56 2HH1 ARG 56 -3.870 17.791 3.660 455 1HH2 ARG 56 1HH2 ARG 56 -6.440 17.383 1.370 456 2HH2 ARG 56 2HH2 ARG 56 -5.154 18.410 1.906 Start of MODEL 4 1 1H ALA 2 1H ALA 2 -3.385 -22.293 -8.424 2 2H ALA 2 2H ALA 2 -4.299 -21.472 -7.251 3 3H ALA 2 3H ALA 2 -2.650 -21.114 -7.451 4 HA ALA 2 HA ALA 2 -3.712 -19.352 -8.538 5 1HB ALA 2 1HB ALA 2 -1.923 -20.309 -9.835 6 2HB ALA 2 2HB ALA 2 -3.239 -19.983 -10.964 7 3HB ALA 2 3HB ALA 2 -2.955 -21.627 -10.392 8 H LYS 3 H LYS 3 -4.936 -22.202 -10.326 9 HA LYS 3 HA LYS 3 -7.104 -22.665 -11.150 10 1HB LYS 3 2HB LYS 3 -7.306 -22.486 -8.561 11 2HB LYS 3 1HB LYS 3 -8.062 -20.923 -8.877 12 1HG LYS 3 2HG LYS 3 -9.960 -21.864 -9.721 13 2HG LYS 3 1HG LYS 3 -9.077 -23.165 -10.521 14 1HD LYS 3 2HD LYS 3 -10.078 -24.407 -8.863 15 2HD LYS 3 1HD LYS 3 -8.644 -23.893 -7.975 16 1HE LYS 3 2HE LYS 3 -11.039 -22.086 -7.950 17 2HE LYS 3 1HE LYS 3 -11.049 -23.530 -6.918 18 1HZ LYS 3 1HZ LYS 3 -9.267 -22.817 -5.723 19 2HZ LYS 3 2HZ LYS 3 -9.903 -21.297 -6.141 20 3HZ LYS 3 3HZ LYS 3 -8.596 -21.945 -7.013 21 H VAL 4 H VAL 4 -6.373 -21.064 -12.929 22 HA VAL 4 HA VAL 4 -6.991 -19.322 -14.404 23 HB VAL 4 HB VAL 4 -9.412 -19.141 -12.590 24 1HG1 VAL 4 1HG1 VAL 4 -9.364 -17.418 -14.281 25 2HG1 VAL 4 2HG1 VAL 4 -10.522 -18.642 -14.802 26 3HG1 VAL 4 3HG1 VAL 4 -8.915 -18.582 -15.526 27 1HG2 VAL 4 1HG2 VAL 4 -8.427 -21.343 -14.251 28 2HG2 VAL 4 2HG2 VAL 4 -10.050 -20.822 -14.706 29 3HG2 VAL 4 3HG2 VAL 4 -9.720 -21.336 -13.051 30 H GLN 5 H GLN 5 -5.910 -18.856 -11.416 31 HA GLN 5 HA GLN 5 -5.230 -16.964 -10.174 32 1HB GLN 5 2HB GLN 5 -5.742 -15.582 -12.826 33 2HB GLN 5 1HB GLN 5 -4.597 -15.095 -11.577 34 1HG GLN 5 2HG GLN 5 -3.309 -17.159 -11.923 35 2HG GLN 5 1HG GLN 5 -4.468 -17.689 -13.143 36 1HE2 GLN 5 1HE2 GLN 5 -4.736 -16.094 -15.059 37 2HE2 GLN 5 2HE2 GLN 5 -3.343 -15.278 -15.586 38 H ALA 6 H ALA 6 -6.055 -14.824 -9.340 39 HA ALA 6 HA ALA 6 -8.579 -13.708 -10.042 40 1HB ALA 6 1HB ALA 6 -9.887 -15.452 -9.396 41 2HB ALA 6 2HB ALA 6 -9.521 -14.938 -7.750 42 3HB ALA 6 3HB ALA 6 -8.569 -16.214 -8.508 43 H TYR 7 H TYR 7 -6.164 -12.622 -9.166 44 HA TYR 7 HA TYR 7 -5.227 -11.177 -7.538 45 1HB TYR 7 2HB TYR 7 -8.230 -10.885 -7.277 46 2HB TYR 7 1HB TYR 7 -7.100 -9.821 -6.440 47 HD1 TYR 7 1HD TYR 7 -8.994 -10.192 -9.364 48 HD2 TYR 7 2HD TYR 7 -5.122 -8.905 -8.022 49 HE1 TYR 7 1HE TYR 7 -8.724 -8.846 -11.429 50 HE2 TYR 7 2HE TYR 7 -4.852 -7.560 -10.086 51 HH TYR 7 HH TYR 7 -7.382 -6.789 -12.121 52 H VAL 8 H VAL 8 -4.523 -13.276 -6.387 53 HA VAL 8 HA VAL 8 -5.814 -13.390 -3.681 54 HB VAL 8 HB VAL 8 -5.339 -15.841 -3.775 55 1HG1 VAL 8 1HG1 VAL 8 -6.856 -15.900 -6.146 56 2HG1 VAL 8 2HG1 VAL 8 -7.248 -14.361 -5.377 57 3HG1 VAL 8 3HG1 VAL 8 -7.475 -15.871 -4.494 58 1HG2 VAL 8 1HG2 VAL 8 -3.441 -15.700 -5.368 59 2HG2 VAL 8 2HG2 VAL 8 -4.562 -15.224 -6.644 60 3HG2 VAL 8 3HG2 VAL 8 -4.671 -16.832 -5.928 61 H SER 9 H SER 9 -3.760 -11.687 -3.837 62 HA SER 9 HA SER 9 -1.570 -13.096 -2.422 63 1HB SER 9 2HB SER 9 -0.155 -11.522 -4.174 64 2HB SER 9 1HB SER 9 -0.455 -13.241 -4.404 65 HG SER 9 HG SER 9 -1.114 -12.037 -6.219 66 H ASP 10 H ASP 10 0.211 -11.152 -2.031 67 HA ASP 10 HA ASP 10 -1.003 -9.303 -0.246 68 1HB ASP 10 2HB ASP 10 1.622 -9.918 -1.402 69 2HB ASP 10 1HB ASP 10 1.432 -8.210 -1.005 70 H GLU 11 H GLU 11 -2.757 -8.484 -1.762 71 HA GLU 11 HA GLU 11 -2.092 -6.825 -4.035 72 1HB GLU 11 2HB GLU 11 -4.440 -7.576 -2.381 73 2HB GLU 11 1HB GLU 11 -4.576 -6.044 -3.245 74 1HG GLU 11 2HG GLU 11 -3.895 -7.230 -5.347 75 2HG GLU 11 1HG GLU 11 -3.944 -8.751 -4.455 76 H ILE 12 H ILE 12 -1.813 -6.310 -0.672 77 HA ILE 12 HA ILE 12 -2.500 -3.551 -0.415 78 HB ILE 12 HB ILE 12 -0.534 -5.403 0.948 79 1HG1 ILE 12 2HG1 ILE 12 -3.280 -4.293 1.583 80 2HG1 ILE 12 1HG1 ILE 12 -2.815 -5.983 1.386 81 1HG2 ILE 12 1HG2 ILE 12 -1.262 -2.546 1.663 82 2HG2 ILE 12 2HG2 ILE 12 0.337 -3.140 1.215 83 3HG2 ILE 12 3HG2 ILE 12 -0.403 -3.652 2.732 84 1HD1 ILE 12 1HD1 ILE 12 -2.973 -5.654 3.738 85 2HD1 ILE 12 2HD1 ILE 12 -2.117 -4.114 3.656 86 3HD1 ILE 12 3HD1 ILE 12 -1.248 -5.625 3.385 87 H VAL 13 H VAL 13 0.308 -5.133 -1.815 88 HA VAL 13 HA VAL 13 2.314 -3.219 -1.735 89 HB VAL 13 HB VAL 13 1.300 -4.969 -3.991 90 1HG1 VAL 13 1HG1 VAL 13 3.800 -3.276 -3.793 91 2HG1 VAL 13 2HG1 VAL 13 2.591 -3.272 -5.077 92 3HG1 VAL 13 3HG1 VAL 13 3.672 -4.654 -4.886 93 1HG2 VAL 13 1HG2 VAL 13 2.258 -6.573 -2.724 94 2HG2 VAL 13 2HG2 VAL 13 2.850 -5.372 -1.576 95 3HG2 VAL 13 3HG2 VAL 13 3.813 -5.786 -2.995 96 H TYR 14 H TYR 14 -0.357 -3.302 -4.129 97 HA TYR 14 HA TYR 14 0.337 -0.781 -5.353 98 1HB TYR 14 2HB TYR 14 -1.200 -2.882 -6.003 99 2HB TYR 14 1HB TYR 14 -2.456 -1.840 -5.338 100 HD1 TYR 14 1HD TYR 14 -3.344 -0.071 -6.615 101 HD2 TYR 14 2HD TYR 14 0.377 -1.872 -7.776 102 HE1 TYR 14 1HE TYR 14 -3.362 1.250 -8.714 103 HE2 TYR 14 2HE TYR 14 0.361 -0.552 -9.876 104 HH TYR 14 HH TYR 14 -2.208 0.824 -11.161 105 H LYS 15 H LYS 15 -1.525 -1.672 -2.526 106 HA LYS 15 HA LYS 15 -3.083 0.746 -2.290 107 1HB LYS 15 2HB LYS 15 -3.466 -1.498 -1.192 108 2HB LYS 15 1HB LYS 15 -2.103 -1.144 -0.130 109 1HG LYS 15 2HG LYS 15 -3.226 0.585 0.961 110 2HG LYS 15 1HG LYS 15 -4.323 0.861 -0.393 111 1HD LYS 15 2HD LYS 15 -4.418 -1.792 0.988 112 2HD LYS 15 1HD LYS 15 -5.155 -0.403 1.789 113 1HE LYS 15 2HE LYS 15 -6.817 -0.196 0.197 114 2HE LYS 15 1HE LYS 15 -5.783 -0.811 -1.109 115 1HZ LYS 15 1HZ LYS 15 -7.611 -2.333 -0.057 116 2HZ LYS 15 2HZ LYS 15 -6.432 -2.580 1.141 117 3HZ LYS 15 3HZ LYS 15 -6.099 -2.973 -0.478 118 H ILE 16 H ILE 16 -0.131 -0.320 -0.539 119 HA ILE 16 HA ILE 16 0.290 2.303 0.649 120 HB ILE 16 HB ILE 16 2.174 -0.054 0.322 121 1HG1 ILE 16 2HG1 ILE 16 0.185 0.543 2.538 122 2HG1 ILE 16 1HG1 ILE 16 -0.030 -0.696 1.302 123 1HG2 ILE 16 1HG2 ILE 16 2.172 1.650 2.747 124 2HG2 ILE 16 2HG2 ILE 16 2.740 2.434 1.273 125 3HG2 ILE 16 3HG2 ILE 16 3.530 0.966 1.852 126 1HD1 ILE 16 1HD1 ILE 16 2.522 -0.724 2.850 127 2HD1 ILE 16 2HD1 ILE 16 1.592 -2.072 2.195 128 3HD1 ILE 16 3HD1 ILE 16 1.060 -1.270 3.673 129 H ASN 17 H ASN 17 1.301 0.719 -2.312 130 HA ASN 17 HA ASN 17 3.605 2.322 -2.911 131 1HB ASN 17 2HB ASN 17 3.239 0.303 -4.113 132 2HB ASN 17 1HB ASN 17 1.578 0.747 -4.508 133 1HD2 ASN 17 1HD2 ASN 17 1.592 0.985 -6.762 134 2HD2 ASN 17 2HD2 ASN 17 2.690 1.957 -7.616 135 H LYS 18 H LYS 18 0.133 2.764 -3.561 136 HA LYS 18 HA LYS 18 0.405 5.099 -5.225 137 1HB LYS 18 2HB LYS 18 -1.819 4.057 -3.439 138 2HB LYS 18 1HB LYS 18 -2.025 5.338 -4.633 139 1HG LYS 18 2HG LYS 18 -1.721 3.890 -6.437 140 2HG LYS 18 1HG LYS 18 -0.821 2.719 -5.475 141 1HD LYS 18 2HD LYS 18 -2.965 1.734 -5.832 142 2HD LYS 18 1HD LYS 18 -2.993 2.337 -4.174 143 1HE LYS 18 2HE LYS 18 -3.888 4.546 -5.477 144 2HE LYS 18 1HE LYS 18 -4.522 3.274 -6.539 145 1HZ LYS 18 1HZ LYS 18 -5.003 2.190 -4.175 146 2HZ LYS 18 2HZ LYS 18 -6.127 3.193 -4.962 147 3HZ LYS 18 3HZ LYS 18 -5.128 3.823 -3.740 148 H ILE 19 H ILE 19 0.047 4.632 -1.719 149 HA ILE 19 HA ILE 19 -0.439 7.279 -0.886 150 HB ILE 19 HB ILE 19 1.288 5.103 0.340 151 1HG1 ILE 19 2HG1 ILE 19 -1.665 5.767 0.518 152 2HG1 ILE 19 1HG1 ILE 19 -0.940 4.279 -0.091 153 1HG2 ILE 19 1HG2 ILE 19 1.367 7.589 1.220 154 2HG2 ILE 19 2HG2 ILE 19 1.212 6.256 2.365 155 3HG2 ILE 19 3HG2 ILE 19 -0.211 7.188 1.897 156 1HD1 ILE 19 1HD1 ILE 19 -1.071 3.433 1.989 157 2HD1 ILE 19 2HD1 ILE 19 -1.611 4.984 2.631 158 3HD1 ILE 19 3HD1 ILE 19 0.112 4.636 2.501 159 H VAL 20 H VAL 20 2.705 5.697 -1.548 160 HA VAL 20 HA VAL 20 4.315 7.997 -0.885 161 HB VAL 20 HB VAL 20 4.987 5.772 -2.824 162 1HG1 VAL 20 1HG1 VAL 20 6.908 6.578 -0.765 163 2HG1 VAL 20 2HG1 VAL 20 6.457 7.899 -1.842 164 3HG1 VAL 20 3HG1 VAL 20 7.130 6.411 -2.508 165 1HG2 VAL 20 1HG2 VAL 20 4.351 4.350 -1.168 166 2HG2 VAL 20 2HG2 VAL 20 4.279 5.641 0.032 167 3HG2 VAL 20 3HG2 VAL 20 5.825 4.890 -0.364 168 H GLU 21 H GLU 21 3.241 6.661 -4.035 169 HA GLU 21 HA GLU 21 4.394 8.691 -5.671 170 1HB GLU 21 2HB GLU 21 2.336 6.561 -5.845 171 2HB GLU 21 1HB GLU 21 2.227 7.828 -7.067 172 1HG GLU 21 2HG GLU 21 4.553 7.459 -7.711 173 2HG GLU 21 1HG GLU 21 4.745 6.263 -6.429 174 H ARG 22 H ARG 22 1.390 8.572 -3.836 175 HA ARG 22 HA ARG 22 -0.220 10.516 -4.971 176 1HB ARG 22 2HB ARG 22 -0.196 9.123 -2.684 177 2HB ARG 22 1HB ARG 22 0.329 10.679 -2.037 178 1HG ARG 22 2HG ARG 22 -1.653 11.757 -2.661 179 2HG ARG 22 1HG ARG 22 -2.043 10.542 -3.879 180 1HD ARG 22 2HD ARG 22 -1.843 9.495 -1.114 181 2HD ARG 22 1HD ARG 22 -3.202 10.601 -1.409 182 HE ARG 22 HE ARG 22 -2.890 7.954 -2.586 183 1HH1 ARG 22 1HH2 ARG 22 -5.133 10.264 -2.023 184 2HH1 ARG 22 2HH2 ARG 22 -5.914 10.192 -3.568 185 1HH2 ARG 22 1HH1 ARG 22 -3.450 8.231 -5.020 186 2HH2 ARG 22 2HH1 ARG 22 -4.961 9.039 -5.265 187 H ARG 23 H ARG 23 2.373 11.240 -2.588 188 HA ARG 23 HA ARG 23 2.299 14.000 -2.529 189 1HB ARG 23 2HB ARG 23 4.224 11.873 -2.142 190 2HB ARG 23 1HB ARG 23 5.017 13.295 -2.820 191 1HG ARG 23 2HG ARG 23 5.084 13.614 -0.462 192 2HG ARG 23 1HG ARG 23 3.776 14.651 -1.032 193 1HD ARG 23 2HD ARG 23 2.212 12.647 -0.552 194 2HD ARG 23 1HD ARG 23 3.567 11.994 0.393 195 HE ARG 23 HE ARG 23 3.179 14.754 1.069 196 1HH1 ARG 23 1HH1 ARG 23 3.426 12.188 2.824 197 2HH1 ARG 23 2HH1 ARG 23 1.944 12.293 3.714 198 1HH2 ARG 23 1HH2 ARG 23 0.539 14.661 1.608 199 2HH2 ARG 23 2HH2 ARG 23 0.310 13.693 3.026 200 H ARG 24 H ARG 24 3.873 12.018 -5.067 201 HA ARG 24 HA ARG 24 4.739 14.288 -6.633 202 1HB ARG 24 2HB ARG 24 5.830 12.144 -6.837 203 2HB ARG 24 1HB ARG 24 4.300 11.344 -7.205 204 1HG ARG 24 2HG ARG 24 4.144 12.844 -9.253 205 2HG ARG 24 1HG ARG 24 5.813 13.315 -8.932 206 1HD ARG 24 2HD ARG 24 4.843 10.471 -9.408 207 2HD ARG 24 1HD ARG 24 5.781 11.457 -10.547 208 HE ARG 24 HE ARG 24 6.797 10.572 -7.873 209 1HH1 ARG 24 1HH2 ARG 24 7.807 9.302 -10.405 210 2HH1 ARG 24 2HH2 ARG 24 9.263 10.195 -10.696 211 1HH2 ARG 24 1HH1 ARG 24 8.423 12.776 -8.537 212 2HH2 ARG 24 2HH1 ARG 24 9.611 12.163 -9.639 213 H ALA 25 H ALA 25 2.129 11.899 -7.253 214 HA ALA 25 HA ALA 25 0.910 13.118 -9.446 215 1HB ALA 25 1HB ALA 25 0.202 11.315 -7.258 216 2HB ALA 25 2HB ALA 25 -0.298 11.259 -8.950 217 3HB ALA 25 3HB ALA 25 -1.184 12.261 -7.800 218 H GLU 26 H GLU 26 1.025 14.194 -6.128 219 HA GLU 26 HA GLU 26 -1.076 16.214 -6.516 220 1HB GLU 26 2HB GLU 26 0.137 14.758 -4.374 221 2HB GLU 26 1HB GLU 26 0.359 16.479 -4.061 222 1HG GLU 26 2HG GLU 26 -2.287 16.177 -5.023 223 2HG GLU 26 1HG GLU 26 -2.041 14.906 -3.824 224 H GLY 27 H GLY 27 2.359 15.933 -6.805 225 1HA GLY 27 2HA GLY 27 3.132 18.123 -8.061 226 2HA GLY 27 1HA GLY 27 2.722 18.874 -6.516 227 H ALA 28 H ALA 28 4.450 15.909 -7.515 228 HA ALA 28 HA ALA 28 6.160 15.426 -5.459 229 1HB ALA 28 1HB ALA 28 7.864 15.285 -7.630 230 2HB ALA 28 2HB ALA 28 6.272 15.270 -8.391 231 3HB ALA 28 3HB ALA 28 6.686 14.049 -7.187 232 H LYS 29 H LYS 29 8.046 16.287 -4.568 233 HA LYS 29 HA LYS 29 9.640 18.390 -5.686 234 1HB LYS 29 2HB LYS 29 7.275 19.418 -5.209 235 2HB LYS 29 1HB LYS 29 7.772 19.359 -3.520 236 1HG LYS 29 2HG LYS 29 9.990 20.462 -4.654 237 2HG LYS 29 1HG LYS 29 8.727 21.111 -5.703 238 1HD LYS 29 2HD LYS 29 7.823 21.259 -2.985 239 2HD LYS 29 1HD LYS 29 9.432 21.977 -3.083 240 1HE LYS 29 2HE LYS 29 8.635 23.344 -5.046 241 2HE LYS 29 1HE LYS 29 6.999 22.727 -4.739 242 1HZ LYS 29 1HZ LYS 29 8.371 23.637 -2.372 243 2HZ LYS 29 2HZ LYS 29 6.789 23.963 -2.902 244 3HZ LYS 29 3HZ LYS 29 8.093 24.872 -3.501 245 H SER 30 H SER 30 8.230 17.914 -2.440 246 HA SER 30 HA SER 30 10.974 17.258 -1.434 247 1HB SER 30 2HB SER 30 8.918 18.124 0.490 248 2HB SER 30 1HB SER 30 10.565 18.713 0.279 249 HG SER 30 HG SER 30 9.308 20.369 -0.373 250 H THR 31 H THR 31 9.073 15.406 -2.604 251 HA THR 31 HA THR 31 8.136 13.828 -0.244 252 HB THR 31 HB THR 31 6.490 14.389 -1.978 253 HG1 THR 31 1HG THR 31 6.361 11.985 -2.772 254 1HG2 THR 31 1HG2 THR 31 7.226 12.901 -4.204 255 2HG2 THR 31 2HG2 THR 31 8.733 13.676 -3.710 256 3HG2 THR 31 3HG2 THR 31 7.311 14.657 -4.063 257 H ASP 32 H ASP 32 10.944 13.917 -0.876 258 HA ASP 32 HA ASP 32 11.979 11.902 -2.523 259 1HB ASP 32 2HB ASP 32 13.448 13.391 -1.430 260 2HB ASP 32 1HB ASP 32 12.736 13.071 0.150 261 H VAL 33 H VAL 33 10.077 11.576 0.362 262 HA VAL 33 HA VAL 33 10.783 9.140 1.488 263 HB VAL 33 HB VAL 33 8.113 10.387 0.794 264 1HG1 VAL 33 1HG1 VAL 33 7.714 8.002 1.058 265 2HG1 VAL 33 2HG1 VAL 33 7.154 8.839 2.508 266 3HG1 VAL 33 3HG1 VAL 33 8.688 7.969 2.529 267 1HG2 VAL 33 1HG2 VAL 33 9.916 11.327 2.478 268 2HG2 VAL 33 2HG2 VAL 33 9.285 10.067 3.540 269 3HG2 VAL 33 3HG2 VAL 33 8.211 11.322 2.926 270 H SER 34 H SER 34 9.493 6.967 1.090 271 HA SER 34 HA SER 34 8.816 6.465 -1.739 272 1HB SER 34 2HB SER 34 10.639 4.820 -1.994 273 2HB SER 34 1HB SER 34 11.287 6.418 -1.639 274 HG SER 34 HG SER 34 11.798 5.780 0.360 275 H PHE 35 H PHE 35 8.662 3.840 -1.897 276 HA PHE 35 HA PHE 35 6.508 3.030 -0.223 277 1HB PHE 35 2HB PHE 35 7.255 2.171 -2.504 278 2HB PHE 35 1HB PHE 35 8.497 1.250 -1.655 279 HD1 PHE 35 1HD PHE 35 7.645 -0.205 0.377 280 HD2 PHE 35 2HD PHE 35 5.154 1.202 -2.826 281 HE1 PHE 35 1HE PHE 35 5.986 -1.974 0.892 282 HE2 PHE 35 2HE PHE 35 3.494 -0.568 -2.313 283 HZ PHE 35 HZ PHE 35 3.911 -2.155 -0.453 284 H SER 36 H SER 36 9.830 1.666 -0.225 285 HA SER 36 HA SER 36 9.776 0.102 2.044 286 1HB SER 36 2HB SER 36 11.797 1.905 0.766 287 2HB SER 36 1HB SER 36 12.211 1.164 2.310 288 HG SER 36 HG SER 36 12.642 -0.538 1.166 289 H SER 37 H SER 37 10.128 3.646 1.958 290 HA SER 37 HA SER 37 10.304 3.875 4.871 291 1HB SER 37 2HB SER 37 10.529 5.524 2.466 292 2HB SER 37 1HB SER 37 9.690 6.361 3.770 293 HG SER 37 HG SER 37 11.573 6.601 4.650 294 H ILE 38 H ILE 38 7.806 4.411 2.376 295 HA ILE 38 HA ILE 38 5.823 5.402 4.262 296 HB ILE 38 HB ILE 38 5.778 4.359 1.421 297 1HG1 ILE 38 2HG1 ILE 38 6.973 6.496 1.877 298 2HG1 ILE 38 1HG1 ILE 38 5.543 6.737 0.871 299 1HG2 ILE 38 1HG2 ILE 38 3.536 4.249 1.569 300 2HG2 ILE 38 2HG2 ILE 38 3.514 5.971 1.950 301 3HG2 ILE 38 3HG2 ILE 38 3.590 4.780 3.250 302 1HD1 ILE 38 1HD1 ILE 38 5.960 7.433 3.764 303 2HD1 ILE 38 2HD1 ILE 38 4.330 7.123 3.166 304 3HD1 ILE 38 3HD1 ILE 38 5.292 8.426 2.468 305 H SER 39 H SER 39 6.786 2.234 3.096 306 HA SER 39 HA SER 39 4.345 0.853 3.854 307 1HB SER 39 2HB SER 39 6.155 0.184 2.175 308 2HB SER 39 1HB SER 39 7.146 -0.262 3.560 309 HG SER 39 HG SER 39 5.711 -1.826 4.087 310 H THR 40 H THR 40 7.636 0.636 5.261 311 HA THR 40 HA THR 40 7.022 -0.724 7.621 312 HB THR 40 HB THR 40 8.996 1.527 7.125 313 HG1 THR 40 1HG THR 40 10.371 -0.389 6.857 314 1HG2 THR 40 1HG2 THR 40 9.411 -0.692 9.098 315 2HG2 THR 40 2HG2 THR 40 8.432 0.699 9.566 316 3HG2 THR 40 3HG2 THR 40 10.110 0.927 9.074 317 H MET 41 H MET 41 6.184 2.559 6.794 318 HA MET 41 HA MET 41 5.926 3.594 9.472 319 1HB MET 41 2HB MET 41 5.378 5.487 8.325 320 2HB MET 41 1HB MET 41 5.857 4.560 6.907 321 1HG MET 41 2HG MET 41 3.558 3.927 6.469 322 2HG MET 41 1HG MET 41 3.025 4.637 7.990 323 1HE MET 41 1HE MET 41 1.463 6.895 5.282 324 2HE MET 41 2HE MET 41 1.306 5.421 6.235 325 3HE MET 41 3HE MET 41 2.116 5.367 4.672 326 H LEU 42 H LEU 42 3.493 2.223 7.213 327 HA LEU 42 HA LEU 42 1.311 2.400 9.084 328 1HB LEU 42 2HB LEU 42 0.780 2.270 6.793 329 2HB LEU 42 1HB LEU 42 1.927 0.961 6.509 330 HG LEU 42 HG LEU 42 0.503 -0.513 7.940 331 1HD1 LEU 42 1HD1 LEU 42 -0.853 0.737 9.307 332 2HD1 LEU 42 2HD1 LEU 42 -1.972 0.571 7.954 333 3HD1 LEU 42 3HD1 LEU 42 -1.011 2.040 8.129 334 1HD2 LEU 42 1HD2 LEU 42 0.103 -0.928 5.691 335 2HD2 LEU 42 2HD2 LEU 42 -0.424 0.725 5.376 336 3HD2 LEU 42 3HD2 LEU 42 -1.502 -0.402 6.198 337 H LEU 43 H LEU 43 3.613 -0.183 8.217 338 HA LEU 43 HA LEU 43 2.535 -2.383 9.538 339 1HB LEU 43 2HB LEU 43 4.641 -2.289 8.209 340 2HB LEU 43 1HB LEU 43 5.429 -1.469 9.560 341 HG LEU 43 HG LEU 43 4.276 -3.632 10.801 342 1HD1 LEU 43 1HD1 LEU 43 3.837 -4.361 8.302 343 2HD1 LEU 43 2HD1 LEU 43 4.406 -5.546 9.478 344 3HD1 LEU 43 3HD1 LEU 43 5.542 -4.812 8.345 345 1HD2 LEU 43 1HD2 LEU 43 6.750 -2.579 10.593 346 2HD2 LEU 43 2HD2 LEU 43 6.989 -4.035 9.626 347 3HD2 LEU 43 3HD2 LEU 43 6.461 -4.166 11.304 348 H GLU 44 H GLU 44 3.802 0.546 10.972 349 HA GLU 44 HA GLU 44 4.318 -0.450 13.614 350 1HB GLU 44 2HB GLU 44 5.236 1.639 13.138 351 2HB GLU 44 1HB GLU 44 3.847 2.144 12.186 352 1HG GLU 44 2HG GLU 44 2.856 3.097 13.962 353 2HG GLU 44 1HG GLU 44 3.151 1.681 14.965 354 H LEU 45 H LEU 45 1.507 0.644 11.846 355 HA LEU 45 HA LEU 45 -0.266 0.531 14.207 356 1HB LEU 45 2HB LEU 45 -0.384 1.369 11.329 357 2HB LEU 45 1HB LEU 45 -1.897 1.034 12.171 358 HG LEU 45 HG LEU 45 0.188 2.831 13.399 359 1HD1 LEU 45 1HD1 LEU 45 -0.195 3.892 11.297 360 2HD1 LEU 45 2HD1 LEU 45 -1.252 4.719 12.442 361 3HD1 LEU 45 3HD1 LEU 45 -1.918 3.513 11.339 362 1HD2 LEU 45 1HD2 LEU 45 -1.800 1.877 14.687 363 2HD2 LEU 45 2HD2 LEU 45 -2.830 2.848 13.635 364 3HD2 LEU 45 3HD2 LEU 45 -1.661 3.637 14.694 365 H GLY 46 H GLY 46 0.889 -1.573 11.738 366 1HA GLY 46 2HA GLY 46 0.423 -3.949 11.785 367 2HA GLY 46 1HA GLY 46 -1.124 -3.603 12.554 368 H LEU 47 H LEU 47 -0.793 -1.376 10.119 369 HA LEU 47 HA LEU 47 -1.525 -1.269 7.872 370 1HB LEU 47 2HB LEU 47 -1.022 -3.111 6.650 371 2HB LEU 47 1HB LEU 47 -0.470 -3.799 8.173 372 HG LEU 47 HG LEU 47 -2.995 -4.489 8.455 373 1HD1 LEU 47 1HD1 LEU 47 -4.345 -4.119 6.696 374 2HD1 LEU 47 2HD1 LEU 47 -3.233 -4.977 5.628 375 3HD1 LEU 47 3HD1 LEU 47 -3.032 -3.247 5.906 376 1HD2 LEU 47 1HD2 LEU 47 -1.690 -6.360 8.301 377 2HD2 LEU 47 2HD2 LEU 47 -0.751 -5.711 6.955 378 3HD2 LEU 47 3HD2 LEU 47 -2.333 -6.434 6.659 379 H ARG 48 H ARG 48 -3.349 -2.849 10.380 380 HA ARG 48 HA ARG 48 -5.856 -3.034 8.930 381 1HB ARG 48 2HB ARG 48 -6.716 -3.646 11.094 382 2HB ARG 48 1HB ARG 48 -5.088 -4.317 10.989 383 1HG ARG 48 2HG ARG 48 -4.239 -2.266 12.169 384 2HG ARG 48 1HG ARG 48 -5.915 -1.770 12.407 385 1HD ARG 48 2HD ARG 48 -6.313 -4.011 13.544 386 2HD ARG 48 1HD ARG 48 -4.554 -4.245 13.512 387 HE ARG 48 HE ARG 48 -5.772 -1.808 14.752 388 1HH1 ARG 48 1HH2 ARG 48 -2.782 -2.947 14.295 389 2HH1 ARG 48 2HH2 ARG 48 -2.367 -3.199 15.958 390 1HH2 ARG 48 1HH1 ARG 48 -5.614 -2.802 17.104 391 2HH2 ARG 48 2HH1 ARG 48 -3.970 -3.119 17.548 392 H VAL 49 H VAL 49 -4.484 -0.670 11.240 393 HA VAL 49 HA VAL 49 -6.690 1.041 11.548 394 HB VAL 49 HB VAL 49 -3.720 1.621 11.310 395 1HG1 VAL 49 1HG1 VAL 49 -4.134 3.786 11.795 396 2HG1 VAL 49 2HG1 VAL 49 -5.284 3.349 13.061 397 3HG1 VAL 49 3HG1 VAL 49 -5.818 3.461 11.384 398 1HG2 VAL 49 1HG2 VAL 49 -3.563 1.098 13.565 399 2HG2 VAL 49 2HG2 VAL 49 -4.828 -0.029 13.079 400 3HG2 VAL 49 3HG2 VAL 49 -5.255 1.483 13.879 401 H TYR 50 H TYR 50 -3.978 1.882 9.372 402 HA TYR 50 HA TYR 50 -5.167 3.850 7.844 403 1HB TYR 50 2HB TYR 50 -2.860 3.171 7.575 404 2HB TYR 50 1HB TYR 50 -3.346 1.567 7.025 405 HD1 TYR 50 1HD TYR 50 -4.724 4.924 6.121 406 HD2 TYR 50 2HD TYR 50 -2.628 1.420 4.789 407 HE1 TYR 50 1HE TYR 50 -4.827 5.751 3.786 408 HE2 TYR 50 2HE TYR 50 -2.731 2.247 2.453 409 HH TYR 50 HH TYR 50 -4.719 4.870 1.519 410 H GLU 51 H GLU 51 -5.214 0.377 6.918 411 HA GLU 51 HA GLU 51 -7.030 0.634 4.760 412 1HB GLU 51 2HB GLU 51 -5.454 -1.266 5.891 413 2HB GLU 51 1HB GLU 51 -7.038 -1.820 6.423 414 1HG GLU 51 2HG GLU 51 -7.155 -1.017 3.655 415 2HG GLU 51 1HG GLU 51 -5.862 -2.193 3.886 416 H ALA 52 H ALA 52 -7.560 0.498 8.226 417 HA ALA 52 HA ALA 52 -10.391 -0.206 8.061 418 1HB ALA 52 1HB ALA 52 -9.414 -0.805 10.082 419 2HB ALA 52 2HB ALA 52 -10.097 0.757 10.533 420 3HB ALA 52 3HB ALA 52 -8.387 0.628 10.124 421 H GLN 53 H GLN 53 -8.539 2.807 8.553 422 HA GLN 53 HA GLN 53 -10.744 4.550 8.998 423 1HB GLN 53 2HB GLN 53 -7.927 4.798 7.972 424 2HB GLN 53 1HB GLN 53 -8.979 6.213 7.996 425 1HG GLN 53 2HG GLN 53 -9.461 5.381 10.476 426 2HG GLN 53 1HG GLN 53 -7.876 4.631 10.283 427 1HE2 GLN 53 1HE2 GLN 53 -7.906 6.599 12.162 428 2HE2 GLN 53 2HE2 GLN 53 -7.209 8.033 11.579 429 H MET 54 H MET 54 -9.523 3.083 6.068 430 HA MET 54 HA MET 54 -11.127 4.935 4.369 431 1HB MET 54 2HB MET 54 -9.864 3.822 2.548 432 2HB MET 54 1HB MET 54 -8.776 4.433 3.793 433 1HG MET 54 2HG MET 54 -8.260 2.317 4.579 434 2HG MET 54 1HG MET 54 -9.801 1.635 4.059 435 1HE MET 54 1HE MET 54 -9.742 0.930 0.584 436 2HE MET 54 2HE MET 54 -9.635 2.688 0.585 437 3HE MET 54 3HE MET 54 -10.573 1.869 1.832 438 H GLU 55 H GLU 55 -12.140 2.612 6.181 439 HA GLU 55 HA GLU 55 -14.074 1.570 4.208 440 1HB GLU 55 2HB GLU 55 -11.836 0.195 4.310 441 2HB GLU 55 1HB GLU 55 -12.496 -0.418 5.826 442 1HG GLU 55 2HG GLU 55 -14.519 -0.433 3.748 443 2HG GLU 55 1HG GLU 55 -13.094 -1.344 3.242 444 H ARG 56 H ARG 56 -15.667 0.054 5.421 445 HA ARG 56 HA ARG 56 -16.123 1.177 8.160 446 1HB ARG 56 2HB ARG 56 -18.487 0.536 7.670 447 2HB ARG 56 1HB ARG 56 -17.830 1.634 6.456 448 1HG ARG 56 2HG ARG 56 -18.005 0.088 4.815 449 2HG ARG 56 1HG ARG 56 -17.314 -1.179 5.830 450 1HD ARG 56 2HD ARG 56 -19.483 -1.526 6.930 451 2HD ARG 56 1HD ARG 56 -20.191 -0.207 5.977 452 HE ARG 56 HE ARG 56 -20.387 -1.767 4.225 453 1HH1 ARG 56 1HH1 ARG 56 -17.389 -1.785 3.841 454 2HH1 ARG 56 2HH1 ARG 56 -17.030 -3.473 3.982 455 1HH2 ARG 56 1HH2 ARG 56 -20.069 -4.269 5.447 456 2HH2 ARG 56 2HH2 ARG 56 -18.547 -4.880 4.892 Start of MODEL 5 1 1H ALA 2 1H ALA 2 1.739 -24.277 -8.018 2 2H ALA 2 2H ALA 2 0.956 -25.584 -7.265 3 3H ALA 2 3H ALA 2 0.085 -24.177 -7.650 4 HA ALA 2 HA ALA 2 1.254 -26.116 -9.582 5 1HB ALA 2 1HB ALA 2 -0.758 -27.111 -9.329 6 2HB ALA 2 2HB ALA 2 -1.562 -25.606 -9.774 7 3HB ALA 2 3HB ALA 2 -1.172 -25.931 -8.085 8 H LYS 3 H LYS 3 0.536 -22.853 -8.951 9 HA LYS 3 HA LYS 3 0.440 -22.277 -11.894 10 1HB LYS 3 2HB LYS 3 -1.245 -21.336 -9.594 11 2HB LYS 3 1HB LYS 3 -0.988 -20.252 -10.963 12 1HG LYS 3 2HG LYS 3 -1.750 -23.078 -11.558 13 2HG LYS 3 1HG LYS 3 -3.004 -22.004 -10.935 14 1HD LYS 3 2HD LYS 3 -3.204 -21.583 -13.205 15 2HD LYS 3 1HD LYS 3 -2.024 -20.347 -12.762 16 1HE LYS 3 2HE LYS 3 -0.194 -21.660 -13.580 17 2HE LYS 3 1HE LYS 3 -1.212 -23.108 -13.724 18 1HZ LYS 3 1HZ LYS 3 -1.392 -20.595 -15.287 19 2HZ LYS 3 2HZ LYS 3 -2.653 -21.732 -15.242 20 3HZ LYS 3 3HZ LYS 3 -1.136 -22.166 -15.871 21 H VAL 4 H VAL 4 1.639 -20.428 -12.531 22 HA VAL 4 HA VAL 4 3.535 -19.389 -10.471 23 HB VAL 4 HB VAL 4 4.891 -18.817 -12.459 24 1HG1 VAL 4 1HG1 VAL 4 4.853 -21.161 -11.452 25 2HG1 VAL 4 2HG1 VAL 4 5.418 -21.061 -13.120 26 3HG1 VAL 4 3HG1 VAL 4 3.781 -21.616 -12.775 27 1HG2 VAL 4 1HG2 VAL 4 2.733 -20.126 -14.124 28 2HG2 VAL 4 2HG2 VAL 4 4.116 -19.182 -14.678 29 3HG2 VAL 4 3HG2 VAL 4 2.771 -18.382 -13.862 30 H GLN 5 H GLN 5 0.637 -18.507 -11.763 31 HA GLN 5 HA GLN 5 1.049 -15.787 -12.597 32 1HB GLN 5 2HB GLN 5 -1.394 -15.669 -12.288 33 2HB GLN 5 1HB GLN 5 -0.948 -17.194 -13.054 34 1HG GLN 5 2HG GLN 5 -1.431 -18.444 -11.168 35 2HG GLN 5 1HG GLN 5 -1.081 -17.111 -10.068 36 1HE2 GLN 5 1HE2 GLN 5 -3.165 -16.646 -12.889 37 2HE2 GLN 5 2HE2 GLN 5 -4.608 -16.459 -12.014 38 H ALA 6 H ALA 6 -0.684 -14.288 -10.997 39 HA ALA 6 HA ALA 6 -0.701 -12.990 -9.020 40 1HB ALA 6 1HB ALA 6 0.333 -14.718 -7.103 41 2HB ALA 6 2HB ALA 6 -0.304 -15.811 -8.332 42 3HB ALA 6 3HB ALA 6 -1.362 -14.617 -7.580 43 H TYR 7 H TYR 7 1.548 -12.637 -10.668 44 HA TYR 7 HA TYR 7 4.073 -12.938 -9.333 45 1HB TYR 7 2HB TYR 7 3.130 -12.169 -11.799 46 2HB TYR 7 1HB TYR 7 3.707 -10.637 -11.143 47 HD1 TYR 7 1HD TYR 7 4.907 -14.177 -10.800 48 HD2 TYR 7 2HD TYR 7 5.824 -10.153 -11.993 49 HE1 TYR 7 1HE TYR 7 7.246 -14.851 -11.276 50 HE2 TYR 7 2HE TYR 7 8.162 -10.827 -12.468 51 HH TYR 7 HH TYR 7 9.149 -14.172 -12.460 52 H VAL 8 H VAL 8 5.338 -10.639 -9.034 53 HA VAL 8 HA VAL 8 5.564 -8.660 -7.753 54 HB VAL 8 HB VAL 8 2.552 -8.635 -7.545 55 1HG1 VAL 8 1HG1 VAL 8 3.832 -6.873 -6.400 56 2HG1 VAL 8 2HG1 VAL 8 2.922 -6.200 -7.754 57 3HG1 VAL 8 3HG1 VAL 8 4.657 -6.481 -7.909 58 1HG2 VAL 8 1HG2 VAL 8 4.143 -8.728 -9.976 59 2HG2 VAL 8 2HG2 VAL 8 3.284 -7.194 -9.847 60 3HG2 VAL 8 3HG2 VAL 8 2.390 -8.714 -9.798 61 H SER 9 H SER 9 4.445 -11.559 -6.684 62 HA SER 9 HA SER 9 3.991 -12.467 -4.530 63 1HB SER 9 2HB SER 9 6.427 -11.401 -4.712 64 2HB SER 9 1HB SER 9 5.785 -10.311 -3.486 65 HG SER 9 HG SER 9 6.414 -11.929 -2.251 66 H ASP 10 H ASP 10 4.201 -11.000 -2.060 67 HA ASP 10 HA ASP 10 1.729 -10.343 -1.242 68 1HB ASP 10 2HB ASP 10 2.883 -8.515 0.149 69 2HB ASP 10 1HB ASP 10 3.591 -10.130 0.234 70 H GLU 11 H GLU 11 0.447 -9.545 -2.993 71 HA GLU 11 HA GLU 11 0.834 -7.337 -4.646 72 1HB GLU 11 2HB GLU 11 -1.087 -8.782 -4.827 73 2HB GLU 11 1HB GLU 11 -1.627 -8.359 -3.202 74 1HG GLU 11 2HG GLU 11 -2.901 -7.167 -4.999 75 2HG GLU 11 1HG GLU 11 -2.072 -6.069 -3.893 76 H ILE 12 H ILE 12 0.350 -7.334 -1.190 77 HA ILE 12 HA ILE 12 -0.739 -4.804 -0.672 78 HB ILE 12 HB ILE 12 1.413 -6.468 0.647 79 1HG1 ILE 12 2HG1 ILE 12 -0.948 -7.296 0.578 80 2HG1 ILE 12 1HG1 ILE 12 -0.381 -6.989 2.220 81 1HG2 ILE 12 1HG2 ILE 12 0.133 -3.909 1.655 82 2HG2 ILE 12 2HG2 ILE 12 1.842 -4.155 1.298 83 3HG2 ILE 12 3HG2 ILE 12 1.093 -5.005 2.649 84 1HD1 ILE 12 1HD1 ILE 12 -1.412 -4.535 1.425 85 2HD1 ILE 12 2HD1 ILE 12 -2.223 -5.703 2.467 86 3HD1 ILE 12 3HD1 ILE 12 -2.542 -5.698 0.733 87 H VAL 13 H VAL 13 2.345 -5.596 -2.079 88 HA VAL 13 HA VAL 13 3.895 -3.311 -1.448 89 HB VAL 13 HB VAL 13 3.669 -5.096 -3.885 90 1HG1 VAL 13 1HG1 VAL 13 4.637 -2.795 -4.393 91 2HG1 VAL 13 2HG1 VAL 13 5.709 -4.156 -4.727 92 3HG1 VAL 13 3HG1 VAL 13 5.939 -3.187 -3.271 93 1HG2 VAL 13 1HG2 VAL 13 5.865 -5.933 -2.913 94 2HG2 VAL 13 2HG2 VAL 13 4.443 -6.256 -1.923 95 3HG2 VAL 13 3HG2 VAL 13 5.531 -4.936 -1.498 96 H TYR 14 H TYR 14 2.135 -3.782 -4.540 97 HA TYR 14 HA TYR 14 2.247 -1.094 -5.408 98 1HB TYR 14 2HB TYR 14 1.531 -3.254 -6.605 99 2HB TYR 14 1HB TYR 14 -0.054 -3.004 -5.872 100 HD1 TYR 14 1HD TYR 14 2.529 -0.845 -7.546 101 HD2 TYR 14 2HD TYR 14 -1.601 -1.991 -7.278 102 HE1 TYR 14 1HE TYR 14 1.963 0.787 -9.324 103 HE2 TYR 14 2HE TYR 14 -2.169 -0.360 -9.058 104 HH TYR 14 HH TYR 14 -1.104 1.840 -9.941 105 H LYS 15 H LYS 15 0.256 -2.574 -2.960 106 HA LYS 15 HA LYS 15 -1.908 -0.671 -2.932 107 1HB LYS 15 2HB LYS 15 -1.565 -3.036 -1.851 108 2HB LYS 15 1HB LYS 15 -0.853 -2.128 -0.516 109 1HG LYS 15 2HG LYS 15 -3.073 -0.662 -0.849 110 2HG LYS 15 1HG LYS 15 -3.679 -2.202 -1.463 111 1HD LYS 15 2HD LYS 15 -2.829 -3.294 0.639 112 2HD LYS 15 1HD LYS 15 -2.446 -1.687 1.257 113 1HE LYS 15 2HE LYS 15 -5.215 -2.161 0.206 114 2HE LYS 15 1HE LYS 15 -4.796 -2.796 1.810 115 1HZ LYS 15 1HZ LYS 15 -4.327 -0.007 0.895 116 2HZ LYS 15 2HZ LYS 15 -3.960 -0.628 2.432 117 3HZ LYS 15 3HZ LYS 15 -5.578 -0.492 1.933 118 H ILE 16 H ILE 16 1.169 -0.864 -1.121 119 HA ILE 16 HA ILE 16 0.674 1.569 0.396 120 HB ILE 16 HB ILE 16 3.270 0.117 -0.199 121 1HG1 ILE 16 2HG1 ILE 16 1.082 -0.444 1.821 122 2HG1 ILE 16 1HG1 ILE 16 1.702 -1.535 0.582 123 1HG2 ILE 16 1HG2 ILE 16 2.780 2.456 1.206 124 2HG2 ILE 16 2HG2 ILE 16 4.190 1.416 1.410 125 3HG2 ILE 16 3HG2 ILE 16 2.794 1.226 2.471 126 1HD1 ILE 16 1HD1 ILE 16 3.023 -0.637 3.132 127 2HD1 ILE 16 2HD1 ILE 16 3.997 -1.202 1.774 128 3HD1 ILE 16 3HD1 ILE 16 2.809 -2.275 2.515 129 H ASN 17 H ASN 17 1.650 0.953 -2.823 130 HA ASN 17 HA ASN 17 3.451 3.188 -3.215 131 1HB ASN 17 2HB ASN 17 2.535 0.950 -4.606 132 2HB ASN 17 1HB ASN 17 1.894 2.308 -5.530 133 1HD2 ASN 17 1HD2 ASN 17 4.093 0.523 -6.385 134 2HD2 ASN 17 2HD2 ASN 17 5.463 1.507 -6.576 135 H LYS 18 H LYS 18 -0.029 2.697 -3.918 136 HA LYS 18 HA LYS 18 -0.685 5.137 -5.097 137 1HB LYS 18 2HB LYS 18 -2.105 3.381 -3.080 138 2HB LYS 18 1HB LYS 18 -2.902 4.754 -3.852 139 1HG LYS 18 2HG LYS 18 -3.270 3.543 -5.710 140 2HG LYS 18 1HG LYS 18 -1.546 3.199 -5.858 141 1HD LYS 18 2HD LYS 18 -1.949 1.063 -5.284 142 2HD LYS 18 1HD LYS 18 -2.513 1.619 -3.707 143 1HE LYS 18 2HE LYS 18 -4.456 0.582 -4.436 144 2HE LYS 18 1HE LYS 18 -4.719 2.179 -5.165 145 1HZ LYS 18 1HZ LYS 18 -3.580 1.419 -7.159 146 2HZ LYS 18 2HZ LYS 18 -4.919 0.426 -6.828 147 3HZ LYS 18 3HZ LYS 18 -3.348 -0.115 -6.471 148 H ILE 19 H ILE 19 0.107 4.497 -1.724 149 HA ILE 19 HA ILE 19 -0.816 7.069 -0.718 150 HB ILE 19 HB ILE 19 1.183 5.090 0.420 151 1HG1 ILE 19 2HG1 ILE 19 -1.082 4.141 -0.325 152 2HG1 ILE 19 1HG1 ILE 19 -0.655 3.896 1.369 153 1HG2 ILE 19 1HG2 ILE 19 1.284 6.913 1.848 154 2HG2 ILE 19 2HG2 ILE 19 -0.073 6.037 2.558 155 3HG2 ILE 19 3HG2 ILE 19 -0.369 7.414 1.496 156 1HD1 ILE 19 1HD1 ILE 19 -2.310 5.272 2.118 157 2HD1 ILE 19 2HD1 ILE 19 -3.030 4.954 0.539 158 3HD1 ILE 19 3HD1 ILE 19 -2.085 6.422 0.799 159 H VAL 20 H VAL 20 2.387 5.697 -1.543 160 HA VAL 20 HA VAL 20 3.857 8.113 -0.931 161 HB VAL 20 HB VAL 20 4.634 5.922 -2.868 162 1HG1 VAL 20 1HG1 VAL 20 6.838 6.356 -1.514 163 2HG1 VAL 20 2HG1 VAL 20 6.052 7.871 -1.070 164 3HG1 VAL 20 3HG1 VAL 20 6.358 7.500 -2.768 165 1HG2 VAL 20 1HG2 VAL 20 4.227 4.433 -1.214 166 2HG2 VAL 20 2HG2 VAL 20 3.921 5.712 -0.038 167 3HG2 VAL 20 3HG2 VAL 20 5.572 5.182 -0.356 168 H GLU 21 H GLU 21 2.855 6.628 -4.038 169 HA GLU 21 HA GLU 21 3.798 8.445 -5.891 170 1HB GLU 21 2HB GLU 21 1.490 6.650 -5.578 171 2HB GLU 21 1HB GLU 21 1.209 7.953 -6.736 172 1HG GLU 21 2HG GLU 21 3.863 6.721 -6.989 173 2HG GLU 21 1HG GLU 21 2.536 5.599 -7.297 174 H ARG 22 H ARG 22 0.841 8.836 -3.914 175 HA ARG 22 HA ARG 22 -0.261 11.169 -4.899 176 1HB ARG 22 2HB ARG 22 -0.326 9.643 -2.549 177 2HB ARG 22 1HB ARG 22 0.048 11.278 -2.002 178 1HG ARG 22 2HG ARG 22 -2.108 11.845 -2.281 179 2HG ARG 22 1HG ARG 22 -1.957 11.505 -4.005 180 1HD ARG 22 2HD ARG 22 -2.826 9.347 -3.795 181 2HD ARG 22 1HD ARG 22 -2.344 9.213 -2.092 182 HE ARG 22 HE ARG 22 -4.097 11.133 -1.761 183 1HH1 ARG 22 1HH2 ARG 22 -4.993 10.984 -4.643 184 2HH1 ARG 22 2HH2 ARG 22 -6.383 9.957 -4.524 185 1HH2 ARG 22 1HH1 ARG 22 -5.571 8.781 -1.365 186 2HH2 ARG 22 2HH1 ARG 22 -6.711 8.710 -2.669 187 H ARG 23 H ARG 23 2.380 11.090 -2.465 188 HA ARG 23 HA ARG 23 2.918 13.804 -2.199 189 1HB ARG 23 2HB ARG 23 4.143 11.333 -1.648 190 2HB ARG 23 1HB ARG 23 5.359 12.258 -2.530 191 1HG ARG 23 2HG ARG 23 5.791 13.106 -0.446 192 2HG ARG 23 1HG ARG 23 4.459 14.184 -0.866 193 1HD ARG 23 2HD ARG 23 2.935 13.052 0.496 194 2HD ARG 23 1HD ARG 23 3.853 11.534 0.429 195 HE ARG 23 HE ARG 23 5.654 12.887 1.736 196 1HH1 ARG 23 1HH2 ARG 23 3.509 15.183 1.755 197 2HH1 ARG 23 2HH2 ARG 23 2.994 15.077 3.404 198 1HH2 ARG 23 1HH1 ARG 23 4.456 11.977 3.939 199 2HH2 ARG 23 2HH1 ARG 23 3.529 13.261 4.642 200 H ARG 24 H ARG 24 4.189 11.637 -4.753 201 HA ARG 24 HA ARG 24 5.592 13.743 -6.166 202 1HB ARG 24 2HB ARG 24 5.433 10.962 -6.164 203 2HB ARG 24 1HB ARG 24 4.734 11.410 -7.720 204 1HG ARG 24 2HG ARG 24 6.842 13.044 -7.782 205 2HG ARG 24 1HG ARG 24 7.511 11.823 -6.700 206 1HD ARG 24 2HD ARG 24 6.183 11.068 -9.315 207 2HD ARG 24 1HD ARG 24 7.919 11.427 -9.204 208 HE ARG 24 HE ARG 24 7.519 9.670 -7.120 209 1HH1 ARG 24 1HH1 ARG 24 5.391 9.121 -9.514 210 2HH1 ARG 24 2HH1 ARG 24 6.088 7.650 -10.108 211 1HH2 ARG 24 1HH2 ARG 24 9.022 7.996 -8.293 212 2HH2 ARG 24 2HH2 ARG 24 8.144 7.014 -9.418 213 H ALA 25 H ALA 25 2.586 11.935 -6.969 214 HA ALA 25 HA ALA 25 1.750 13.279 -9.244 215 1HB ALA 25 1HB ALA 25 0.537 11.878 -6.968 216 2HB ALA 25 2HB ALA 25 0.147 11.762 -8.684 217 3HB ALA 25 3HB ALA 25 -0.557 13.047 -7.705 218 H GLU 26 H GLU 26 1.803 14.462 -5.934 219 HA GLU 26 HA GLU 26 0.314 16.899 -6.549 220 1HB GLU 26 2HB GLU 26 1.129 15.371 -4.283 221 2HB GLU 26 1HB GLU 26 1.778 17.000 -4.086 222 1HG GLU 26 2HG GLU 26 -0.873 17.267 -5.083 223 2HG GLU 26 1HG GLU 26 -0.930 16.111 -3.752 224 H GLY 27 H GLY 27 3.684 15.872 -6.301 225 1HA GLY 27 2HA GLY 27 5.208 17.316 -7.748 226 2HA GLY 27 1HA GLY 27 4.511 18.690 -6.889 227 H ALA 28 H ALA 28 5.516 15.545 -5.554 228 HA ALA 28 HA ALA 28 7.137 16.979 -3.528 229 1HB ALA 28 1HB ALA 28 7.140 14.781 -2.444 230 2HB ALA 28 2HB ALA 28 6.482 14.037 -3.903 231 3HB ALA 28 3HB ALA 28 5.503 15.170 -2.971 232 H LYS 29 H LYS 29 9.307 15.756 -2.986 233 HA LYS 29 HA LYS 29 10.694 14.378 -5.120 234 1HB LYS 29 2HB LYS 29 10.418 16.658 -6.084 235 2HB LYS 29 1HB LYS 29 11.292 17.324 -4.704 236 1HG LYS 29 2HG LYS 29 13.273 16.817 -5.642 237 2HG LYS 29 1HG LYS 29 12.784 15.136 -5.864 238 1HD LYS 29 2HD LYS 29 11.315 16.355 -7.813 239 2HD LYS 29 1HD LYS 29 12.752 17.378 -7.791 240 1HE LYS 29 2HE LYS 29 13.626 14.658 -7.618 241 2HE LYS 29 1HE LYS 29 12.481 14.789 -8.968 242 1HZ LYS 29 1HZ LYS 29 14.647 16.757 -8.483 243 2HZ LYS 29 2HZ LYS 29 13.671 16.606 -9.866 244 3HZ LYS 29 3HZ LYS 29 14.835 15.422 -9.512 245 H SER 30 H SER 30 10.936 16.443 -2.239 246 HA SER 30 HA SER 30 13.531 16.071 -1.362 247 1HB SER 30 2HB SER 30 11.532 17.227 -0.261 248 2HB SER 30 1HB SER 30 11.089 15.646 0.379 249 HG SER 30 HG SER 30 12.946 17.379 1.250 250 H THR 31 H THR 31 14.577 14.428 -0.041 251 HA THR 31 HA THR 31 13.790 11.684 -0.776 252 HB THR 31 HB THR 31 16.043 12.223 1.079 253 HG1 THR 31 1HG THR 31 17.230 13.112 -0.733 254 1HG2 THR 31 1HG2 THR 31 15.791 10.046 0.040 255 2HG2 THR 31 2HG2 THR 31 17.213 10.832 -0.649 256 3HG2 THR 31 3HG2 THR 31 15.706 10.779 -1.563 257 H ASP 32 H ASP 32 11.947 13.009 1.026 258 HA ASP 32 HA ASP 32 12.493 11.711 3.659 259 1HB ASP 32 2HB ASP 32 11.551 14.207 2.889 260 2HB ASP 32 1HB ASP 32 10.078 13.349 3.349 261 H VAL 33 H VAL 33 10.278 11.690 0.910 262 HA VAL 33 HA VAL 33 8.636 9.572 2.244 263 HB VAL 33 HB VAL 33 7.601 11.689 1.334 264 1HG1 VAL 33 1HG1 VAL 33 8.445 10.465 -1.312 265 2HG1 VAL 33 2HG1 VAL 33 9.106 11.941 -0.608 266 3HG1 VAL 33 3HG1 VAL 33 7.419 11.886 -1.120 267 1HG2 VAL 33 1HG2 VAL 33 5.812 10.317 1.263 268 2HG2 VAL 33 2HG2 VAL 33 6.834 8.936 0.868 269 3HG2 VAL 33 3HG2 VAL 33 6.211 9.968 -0.419 270 H SER 34 H SER 34 8.578 7.509 1.359 271 HA SER 34 HA SER 34 9.496 6.967 -1.369 272 1HB SER 34 2HB SER 34 11.119 5.988 0.998 273 2HB SER 34 1HB SER 34 11.489 5.734 -0.706 274 HG SER 34 HG SER 34 12.237 7.736 0.807 275 H PHE 35 H PHE 35 8.822 4.892 -2.034 276 HA PHE 35 HA PHE 35 6.657 3.602 -0.904 277 1HB PHE 35 2HB PHE 35 7.750 3.166 -3.115 278 2HB PHE 35 1HB PHE 35 9.019 2.276 -2.275 279 HD1 PHE 35 1HD PHE 35 5.573 2.212 -3.467 280 HD2 PHE 35 2HD PHE 35 8.470 0.184 -1.027 281 HE1 PHE 35 1HE PHE 35 4.150 0.181 -3.466 282 HE2 PHE 35 2HE PHE 35 7.047 -1.848 -1.026 283 HZ PHE 35 HZ PHE 35 4.887 -1.849 -2.245 284 H SER 36 H SER 36 10.094 2.916 -0.194 285 HA SER 36 HA SER 36 9.602 0.776 1.665 286 1HB SER 36 2HB SER 36 11.844 2.669 1.004 287 2HB SER 36 1HB SER 36 11.992 1.607 2.401 288 HG SER 36 HG SER 36 12.723 0.354 0.815 289 H SER 37 H SER 37 9.780 4.296 2.013 290 HA SER 37 HA SER 37 9.790 4.255 4.931 291 1HB SER 37 2HB SER 37 10.378 6.041 2.917 292 2HB SER 37 1HB SER 37 8.844 6.661 3.518 293 HG SER 37 HG SER 37 9.739 7.070 5.418 294 H ILE 38 H ILE 38 7.325 4.903 2.415 295 HA ILE 38 HA ILE 38 5.181 5.423 4.282 296 HB ILE 38 HB ILE 38 5.286 4.567 1.374 297 1HG1 ILE 38 2HG1 ILE 38 6.334 6.768 2.016 298 2HG1 ILE 38 1HG1 ILE 38 4.969 6.929 0.912 299 1HG2 ILE 38 1HG2 ILE 38 3.073 4.502 3.084 300 2HG2 ILE 38 2HG2 ILE 38 3.031 4.518 1.320 301 3HG2 ILE 38 3HG2 ILE 38 2.914 6.031 2.218 302 1HD1 ILE 38 1HD1 ILE 38 3.821 8.157 2.409 303 2HD1 ILE 38 2HD1 ILE 38 5.271 8.180 3.415 304 3HD1 ILE 38 3HD1 ILE 38 4.049 6.931 3.657 305 H SER 39 H SER 39 6.608 2.503 3.004 306 HA SER 39 HA SER 39 4.333 0.761 3.486 307 1HB SER 39 2HB SER 39 5.843 -0.078 1.937 308 2HB SER 39 1HB SER 39 7.240 0.540 2.812 309 HG SER 39 HG SER 39 5.563 -1.577 3.695 310 H THR 40 H THR 40 7.469 1.134 5.189 311 HA THR 40 HA THR 40 7.036 -0.565 7.361 312 HB THR 40 HB THR 40 8.372 2.158 7.307 313 HG1 THR 40 1HG THR 40 9.238 -0.455 6.650 314 1HG2 THR 40 1HG2 THR 40 8.466 -0.173 9.206 315 2HG2 THR 40 2HG2 THR 40 8.322 1.545 9.571 316 3HG2 THR 40 3HG2 THR 40 9.865 0.887 9.026 317 H MET 41 H MET 41 5.775 2.728 6.900 318 HA MET 41 HA MET 41 4.851 3.160 9.570 319 1HB MET 41 2HB MET 41 3.679 4.983 8.593 320 2HB MET 41 1HB MET 41 5.093 4.758 7.566 321 1HG MET 41 2HG MET 41 3.593 4.718 5.864 322 2HG MET 41 1HG MET 41 3.272 3.071 6.392 323 1HE MET 41 1HE MET 41 1.501 4.660 4.722 324 2HE MET 41 2HE MET 41 1.505 6.275 5.426 325 3HE MET 41 3HE MET 41 0.023 5.322 5.433 326 H LEU 42 H LEU 42 3.485 1.321 6.893 327 HA LEU 42 HA LEU 42 0.805 1.084 7.941 328 1HB LEU 42 2HB LEU 42 2.503 -0.029 5.812 329 2HB LEU 42 1HB LEU 42 1.288 -1.160 6.408 330 HG LEU 42 HG LEU 42 0.703 1.680 5.521 331 1HD1 LEU 42 1HD1 LEU 42 0.860 0.823 3.434 332 2HD1 LEU 42 2HD1 LEU 42 -0.591 -0.100 3.820 333 3HD1 LEU 42 3HD1 LEU 42 1.000 -0.826 4.042 334 1HD2 LEU 42 1HD2 LEU 42 -1.449 -0.323 5.634 335 2HD2 LEU 42 2HD2 LEU 42 -1.423 1.332 6.243 336 3HD2 LEU 42 3HD2 LEU 42 -0.733 0.026 7.207 337 H LEU 43 H LEU 43 3.443 -1.343 7.829 338 HA LEU 43 HA LEU 43 2.286 -3.271 9.518 339 1HB LEU 43 2HB LEU 43 4.318 -3.597 8.192 340 2HB LEU 43 1HB LEU 43 5.176 -2.411 9.179 341 HG LEU 43 HG LEU 43 4.114 -4.190 11.042 342 1HD1 LEU 43 1HD1 LEU 43 5.396 -6.287 9.860 343 2HD1 LEU 43 2HD1 LEU 43 4.656 -5.525 8.453 344 3HD1 LEU 43 3HD1 LEU 43 3.649 -6.050 9.803 345 1HD2 LEU 43 1HD2 LEU 43 6.260 -3.982 11.704 346 2HD2 LEU 43 2HD2 LEU 43 6.630 -3.188 10.172 347 3HD2 LEU 43 3HD2 LEU 43 6.802 -4.937 10.324 348 H GLU 44 H GLU 44 4.214 -0.397 10.396 349 HA GLU 44 HA GLU 44 4.424 -0.906 13.196 350 1HB GLU 44 2HB GLU 44 4.271 1.609 11.506 351 2HB GLU 44 1HB GLU 44 4.626 1.646 13.233 352 1HG GLU 44 2HG GLU 44 6.273 -0.347 11.953 353 2HG GLU 44 1HG GLU 44 6.452 1.197 11.118 354 H LEU 45 H LEU 45 1.806 0.100 11.171 355 HA LEU 45 HA LEU 45 0.114 0.880 13.495 356 1HB LEU 45 2HB LEU 45 0.301 1.409 10.594 357 2HB LEU 45 1HB LEU 45 -1.347 1.222 11.195 358 HG LEU 45 HG LEU 45 0.171 2.832 13.040 359 1HD1 LEU 45 1HD1 LEU 45 0.125 4.760 11.125 360 2HD1 LEU 45 2HD1 LEU 45 0.574 3.360 10.151 361 3HD1 LEU 45 3HD1 LEU 45 1.568 3.828 11.529 362 1HD2 LEU 45 1HD2 LEU 45 -2.386 2.766 11.666 363 2HD2 LEU 45 2HD2 LEU 45 -1.735 4.404 11.698 364 3HD2 LEU 45 3HD2 LEU 45 -1.972 3.521 13.207 365 H GLY 46 H GLY 46 0.882 -1.846 11.648 366 1HA GLY 46 2HA GLY 46 -0.080 -3.994 11.667 367 2HA GLY 46 1HA GLY 46 -1.313 -3.382 12.771 368 H LEU 47 H LEU 47 -1.091 -1.371 10.094 369 HA LEU 47 HA LEU 47 -2.342 -1.145 8.105 370 1HB LEU 47 2HB LEU 47 -3.218 -4.004 8.589 371 2HB LEU 47 1HB LEU 47 -3.152 -3.139 7.057 372 HG LEU 47 HG LEU 47 -0.666 -3.554 8.714 373 1HD1 LEU 47 1HD1 LEU 47 -2.185 -5.505 7.094 374 2HD1 LEU 47 2HD1 LEU 47 -0.979 -5.783 8.349 375 3HD1 LEU 47 3HD1 LEU 47 -0.468 -5.395 6.706 376 1HD2 LEU 47 1HD2 LEU 47 0.258 -3.450 6.289 377 2HD2 LEU 47 2HD2 LEU 47 -0.314 -1.949 7.018 378 3HD2 LEU 47 3HD2 LEU 47 -1.332 -2.814 5.867 379 H ARG 48 H ARG 48 -3.871 -2.400 11.028 380 HA ARG 48 HA ARG 48 -6.600 -1.915 10.180 381 1HB ARG 48 2HB ARG 48 -5.805 -3.487 11.977 382 2HB ARG 48 1HB ARG 48 -5.393 -2.080 12.958 383 1HG ARG 48 2HG ARG 48 -7.655 -3.036 13.489 384 2HG ARG 48 1HG ARG 48 -7.706 -1.346 12.981 385 1HD ARG 48 2HD ARG 48 -8.855 -1.837 11.066 386 2HD ARG 48 1HD ARG 48 -7.914 -3.312 10.771 387 HE ARG 48 HE ARG 48 -9.824 -3.335 13.045 388 1HH1 ARG 48 1HH1 ARG 48 -8.266 -5.336 10.972 389 2HH1 ARG 48 2HH1 ARG 48 -9.661 -6.198 10.415 390 1HH2 ARG 48 1HH2 ARG 48 -11.923 -3.999 11.852 391 2HH2 ARG 48 2HH2 ARG 48 -11.731 -5.440 10.911 392 H VAL 49 H VAL 49 -4.798 -0.282 12.809 393 HA VAL 49 HA VAL 49 -6.331 1.969 13.180 394 HB VAL 49 HB VAL 49 -3.308 1.793 12.967 395 1HG1 VAL 49 1HG1 VAL 49 -5.188 3.787 14.226 396 2HG1 VAL 49 2HG1 VAL 49 -3.824 4.093 13.150 397 3HG1 VAL 49 3HG1 VAL 49 -3.538 3.587 14.816 398 1HG2 VAL 49 1HG2 VAL 49 -5.141 0.459 14.668 399 2HG2 VAL 49 2HG2 VAL 49 -4.392 1.726 15.640 400 3HG2 VAL 49 3HG2 VAL 49 -3.386 0.526 14.828 401 H TYR 50 H TYR 50 -4.305 1.268 10.394 402 HA TYR 50 HA TYR 50 -4.148 3.904 9.279 403 1HB TYR 50 2HB TYR 50 -2.709 2.182 8.478 404 2HB TYR 50 1HB TYR 50 -4.058 1.085 8.191 405 HD1 TYR 50 1HD TYR 50 -3.299 4.646 7.258 406 HD2 TYR 50 2HD TYR 50 -4.445 0.725 5.929 407 HE1 TYR 50 1HE TYR 50 -3.493 5.489 4.933 408 HE2 TYR 50 2HE TYR 50 -4.640 1.568 3.606 409 HH TYR 50 HH TYR 50 -3.543 3.588 2.288 410 H GLU 51 H GLU 51 -6.425 1.214 8.578 411 HA GLU 51 HA GLU 51 -8.058 2.602 6.728 412 1HB GLU 51 2HB GLU 51 -7.814 0.100 7.747 413 2HB GLU 51 1HB GLU 51 -9.264 0.635 8.591 414 1HG GLU 51 2HG GLU 51 -9.432 1.456 5.852 415 2HG GLU 51 1HG GLU 51 -9.047 -0.263 5.906 416 H ALA 52 H ALA 52 -7.675 3.059 10.107 417 HA ALA 52 HA ALA 52 -10.361 3.955 10.751 418 1HB ALA 52 1HB ALA 52 -8.096 3.244 12.109 419 2HB ALA 52 2HB ALA 52 -9.444 4.113 12.842 420 3HB ALA 52 3HB ALA 52 -8.035 4.999 12.259 421 H GLN 53 H GLN 53 -7.287 5.743 10.261 422 HA GLN 53 HA GLN 53 -8.742 8.275 10.007 423 1HB GLN 53 2HB GLN 53 -5.863 7.374 10.020 424 2HB GLN 53 1HB GLN 53 -6.295 9.044 9.650 425 1HG GLN 53 2HG GLN 53 -7.775 8.700 11.877 426 2HG GLN 53 1HG GLN 53 -6.464 7.571 12.227 427 1HE2 GLN 53 1HE2 GLN 53 -4.175 8.685 11.470 428 2HE2 GLN 53 2HE2 GLN 53 -3.957 10.252 12.086 429 H MET 54 H MET 54 -9.196 6.203 7.931 430 HA MET 54 HA MET 54 -7.725 6.669 5.543 431 1HB MET 54 2HB MET 54 -9.613 5.580 4.493 432 2HB MET 54 1HB MET 54 -9.413 4.857 6.090 433 1HG MET 54 2HG MET 54 -11.182 6.262 6.999 434 2HG MET 54 1HG MET 54 -11.332 7.119 5.465 435 1HE MET 54 1HE MET 54 -12.730 4.883 2.987 436 2HE MET 54 2HE MET 54 -11.123 4.252 3.334 437 3HE MET 54 3HE MET 54 -11.406 5.992 3.376 438 H GLU 55 H GLU 55 -10.215 8.565 7.118 439 HA GLU 55 HA GLU 55 -10.384 10.371 4.735 440 1HB GLU 55 2HB GLU 55 -12.158 9.573 7.003 441 2HB GLU 55 1HB GLU 55 -12.345 11.206 6.368 442 1HG GLU 55 2HG GLU 55 -13.454 10.423 4.576 443 2HG GLU 55 1HG GLU 55 -12.107 9.359 4.174 444 H ARG 56 H ARG 56 -11.175 12.701 6.014 445 HA ARG 56 HA ARG 56 -9.470 13.402 8.259 446 1HB ARG 56 2HB ARG 56 -8.149 13.123 5.891 447 2HB ARG 56 1HB ARG 56 -8.599 14.827 5.807 448 1HG ARG 56 2HG ARG 56 -7.182 15.412 7.487 449 2HG ARG 56 1HG ARG 56 -7.558 13.970 8.433 450 1HD ARG 56 2HD ARG 56 -5.504 13.210 7.814 451 2HD ARG 56 1HD ARG 56 -6.196 12.977 6.197 452 HE ARG 56 HE ARG 56 -5.479 15.738 6.577 453 1HH1 ARG 56 1HH1 ARG 56 -4.939 14.030 4.126 454 2HH1 ARG 56 2HH1 ARG 56 -3.209 13.966 4.128 455 1HH2 ARG 56 1HH2 ARG 56 -2.908 15.044 7.409 456 2HH2 ARG 56 2HH2 ARG 56 -2.058 14.540 5.987 Start of MODEL 6 1 1H ALA 2 1H ALA 2 -1.505 -20.225 -13.610 2 2H ALA 2 2H ALA 2 -3.137 -19.767 -13.499 3 3H ALA 2 3H ALA 2 -2.609 -21.221 -12.797 4 HA ALA 2 HA ALA 2 -2.958 -19.050 -11.351 5 1HB ALA 2 1HB ALA 2 -1.394 -20.157 -9.797 6 2HB ALA 2 2HB ALA 2 -0.675 -21.042 -11.143 7 3HB ALA 2 3HB ALA 2 -2.345 -21.359 -10.671 8 H LYS 3 H LYS 3 -2.295 -17.042 -12.331 9 HA LYS 3 HA LYS 3 0.442 -16.537 -13.156 10 1HB LYS 3 2HB LYS 3 -2.147 -15.161 -12.927 11 2HB LYS 3 1HB LYS 3 -0.766 -14.099 -12.646 12 1HG LYS 3 2HG LYS 3 -1.145 -14.031 -14.998 13 2HG LYS 3 1HG LYS 3 0.244 -15.097 -14.779 14 1HD LYS 3 2HD LYS 3 -2.440 -16.378 -14.705 15 2HD LYS 3 1HD LYS 3 -1.891 -15.790 -16.273 16 1HE LYS 3 2HE LYS 3 0.325 -17.025 -15.762 17 2HE LYS 3 1HE LYS 3 -0.593 -17.864 -14.495 18 1HZ LYS 3 1HZ LYS 3 -1.498 -17.623 -17.315 19 2HZ LYS 3 2HZ LYS 3 -2.207 -18.558 -16.085 20 3HZ LYS 3 3HZ LYS 3 -0.681 -18.979 -16.703 21 H VAL 4 H VAL 4 1.973 -16.786 -11.517 22 HA VAL 4 HA VAL 4 3.108 -16.358 -9.486 23 HB VAL 4 HB VAL 4 1.507 -13.848 -10.028 24 1HG1 VAL 4 1HG1 VAL 4 3.351 -14.538 -7.769 25 2HG1 VAL 4 2HG1 VAL 4 1.899 -13.536 -7.761 26 3HG1 VAL 4 3HG1 VAL 4 3.403 -12.905 -8.432 27 1HG2 VAL 4 1HG2 VAL 4 3.155 -13.531 -11.533 28 2HG2 VAL 4 2HG2 VAL 4 3.971 -15.002 -11.003 29 3HG2 VAL 4 3HG2 VAL 4 4.306 -13.468 -10.199 30 H GLN 5 H GLN 5 1.987 -17.993 -8.226 31 HA GLN 5 HA GLN 5 -0.529 -17.933 -7.057 32 1HB GLN 5 2HB GLN 5 2.157 -19.001 -6.387 33 2HB GLN 5 1HB GLN 5 1.005 -18.956 -5.053 34 1HG GLN 5 2HG GLN 5 0.272 -20.097 -7.752 35 2HG GLN 5 1HG GLN 5 1.010 -21.085 -6.491 36 1HE2 GLN 5 1HE2 GLN 5 -0.822 -22.351 -5.900 37 2HE2 GLN 5 2HE2 GLN 5 -2.250 -21.685 -5.271 38 H ALA 6 H ALA 6 -1.011 -17.447 -4.657 39 HA ALA 6 HA ALA 6 0.442 -15.570 -3.107 40 1HB ALA 6 1HB ALA 6 0.260 -13.730 -4.416 41 2HB ALA 6 2HB ALA 6 -1.460 -13.731 -4.029 42 3HB ALA 6 3HB ALA 6 -0.885 -14.536 -5.488 43 H TYR 7 H TYR 7 -0.513 -15.851 -1.132 44 HA TYR 7 HA TYR 7 -3.420 -15.585 -0.808 45 1HB TYR 7 2HB TYR 7 -3.684 -17.893 0.049 46 2HB TYR 7 1HB TYR 7 -3.122 -17.904 -1.623 47 HD1 TYR 7 1HD TYR 7 -0.529 -17.962 -1.972 48 HD2 TYR 7 2HD TYR 7 -2.494 -19.088 1.676 49 HE1 TYR 7 1HE TYR 7 1.474 -19.257 -1.294 50 HE2 TYR 7 2HE TYR 7 -0.491 -20.383 2.355 51 HH TYR 7 HH TYR 7 2.396 -20.005 1.271 52 H VAL 8 H VAL 8 -1.926 -13.867 0.426 53 HA VAL 8 HA VAL 8 -2.040 -14.581 3.259 54 HB VAL 8 HB VAL 8 0.087 -15.615 2.380 55 1HG1 VAL 8 1HG1 VAL 8 0.496 -13.775 0.706 56 2HG1 VAL 8 2HG1 VAL 8 1.903 -14.174 1.691 57 3HG1 VAL 8 3HG1 VAL 8 0.956 -12.730 2.049 58 1HG2 VAL 8 1HG2 VAL 8 -0.371 -14.306 4.737 59 2HG2 VAL 8 2HG2 VAL 8 1.061 -13.457 4.156 60 3HG2 VAL 8 3HG2 VAL 8 1.105 -15.205 4.382 61 H SER 9 H SER 9 -0.709 -12.295 0.852 62 HA SER 9 HA SER 9 -2.168 -10.036 1.724 63 1HB SER 9 2HB SER 9 0.102 -9.097 2.913 64 2HB SER 9 1HB SER 9 -1.219 -9.855 3.799 65 HG SER 9 HG SER 9 1.314 -10.748 3.300 66 H ASP 10 H ASP 10 -1.222 -11.012 -0.748 67 HA ASP 10 HA ASP 10 1.163 -9.729 -1.685 68 1HB ASP 10 2HB ASP 10 -0.214 -11.665 -2.657 69 2HB ASP 10 1HB ASP 10 -1.298 -10.431 -3.297 70 H GLU 11 H GLU 11 -2.266 -8.755 -1.728 71 HA GLU 11 HA GLU 11 -2.146 -6.445 -3.310 72 1HB GLU 11 2HB GLU 11 -4.112 -5.762 -1.992 73 2HB GLU 11 1HB GLU 11 -4.163 -7.497 -2.309 74 1HG GLU 11 2HG GLU 11 -3.705 -8.054 -0.113 75 2HG GLU 11 1HG GLU 11 -2.801 -6.570 0.186 76 H ILE 12 H ILE 12 -0.751 -6.987 -0.167 77 HA ILE 12 HA ILE 12 -0.609 -4.412 0.943 78 HB ILE 12 HB ILE 12 1.276 -6.773 0.859 79 1HG1 ILE 12 2HG1 ILE 12 -0.959 -6.886 2.046 80 2HG1 ILE 12 1HG1 ILE 12 0.435 -7.167 3.090 81 1HG2 ILE 12 1HG2 ILE 12 1.557 -4.178 2.400 82 2HG2 ILE 12 2HG2 ILE 12 2.706 -4.865 1.252 83 3HG2 ILE 12 3HG2 ILE 12 2.433 -5.654 2.805 84 1HD1 ILE 12 1HD1 ILE 12 -0.178 -4.336 2.927 85 2HD1 ILE 12 2HD1 ILE 12 -0.058 -5.369 4.353 86 3HD1 ILE 12 3HD1 ILE 12 -1.582 -5.254 3.472 87 H VAL 13 H VAL 13 1.889 -5.903 -1.163 88 HA VAL 13 HA VAL 13 3.629 -3.791 -1.529 89 HB VAL 13 HB VAL 13 2.489 -5.700 -3.597 90 1HG1 VAL 13 1HG1 VAL 13 4.886 -3.871 -3.597 91 2HG1 VAL 13 2HG1 VAL 13 3.670 -4.090 -4.854 92 3HG1 VAL 13 3HG1 VAL 13 4.874 -5.345 -4.564 93 1HG2 VAL 13 1HG2 VAL 13 5.152 -6.199 -2.474 94 2HG2 VAL 13 2HG2 VAL 13 3.789 -7.303 -2.658 95 3HG2 VAL 13 3HG2 VAL 13 3.877 -6.237 -1.256 96 H TYR 14 H TYR 14 0.724 -4.340 -3.571 97 HA TYR 14 HA TYR 14 0.935 -1.822 -4.959 98 1HB TYR 14 2HB TYR 14 -0.253 -3.805 -5.802 99 2HB TYR 14 1HB TYR 14 -1.395 -3.703 -4.461 100 HD1 TYR 14 1HD TYR 14 -3.419 -2.627 -4.852 101 HD2 TYR 14 2HD TYR 14 0.034 -1.493 -7.140 102 HE1 TYR 14 1HE TYR 14 -4.804 -1.028 -6.148 103 HE2 TYR 14 2HE TYR 14 -1.351 0.107 -8.435 104 HH TYR 14 HH TYR 14 -4.301 0.064 -8.850 105 H LYS 15 H LYS 15 -0.440 -2.757 -1.884 106 HA LYS 15 HA LYS 15 -2.300 -0.595 -1.543 107 1HB LYS 15 2HB LYS 15 -1.703 -2.877 -0.250 108 2HB LYS 15 1HB LYS 15 -0.808 -1.749 0.768 109 1HG LYS 15 2HG LYS 15 -2.738 -1.219 1.792 110 2HG LYS 15 1HG LYS 15 -3.304 -0.528 0.270 111 1HD LYS 15 2HD LYS 15 -4.477 -2.446 -0.325 112 2HD LYS 15 1HD LYS 15 -3.459 -3.497 0.661 113 1HE LYS 15 2HE LYS 15 -5.626 -3.298 1.761 114 2HE LYS 15 1HE LYS 15 -4.449 -2.370 2.713 115 1HZ LYS 15 1HZ LYS 15 -6.674 -1.266 1.924 116 2HZ LYS 15 2HZ LYS 15 -5.813 -1.048 0.476 117 3HZ LYS 15 3HZ LYS 15 -5.226 -0.384 1.925 118 H ILE 16 H ILE 16 1.055 -1.005 -0.342 119 HA ILE 16 HA ILE 16 1.287 1.599 0.820 120 HB ILE 16 HB ILE 16 3.390 -0.237 -0.378 121 1HG1 ILE 16 2HG1 ILE 16 2.872 -0.194 2.539 122 2HG1 ILE 16 1HG1 ILE 16 1.590 -0.906 1.560 123 1HG2 ILE 16 1HG2 ILE 16 3.580 2.336 0.818 124 2HG2 ILE 16 2HG2 ILE 16 4.899 1.253 0.374 125 3HG2 ILE 16 3HG2 ILE 16 4.197 1.172 1.990 126 1HD1 ILE 16 1HD1 ILE 16 4.255 -1.766 0.714 127 2HD1 ILE 16 2HD1 ILE 16 2.828 -2.735 1.084 128 3HD1 ILE 16 3HD1 ILE 16 3.898 -2.206 2.384 129 H ASN 17 H ASN 17 1.342 0.548 -2.480 130 HA ASN 17 HA ASN 17 2.978 2.670 -3.577 131 1HB ASN 17 2HB ASN 17 1.434 0.374 -4.419 132 2HB ASN 17 1HB ASN 17 1.112 1.742 -5.485 133 1HD2 ASN 17 1HD2 ASN 17 2.622 -0.588 -6.325 134 2HD2 ASN 17 2HD2 ASN 17 4.211 -0.083 -6.642 135 H LYS 18 H LYS 18 -0.568 2.193 -3.366 136 HA LYS 18 HA LYS 18 -1.308 4.668 -4.586 137 1HB LYS 18 2HB LYS 18 -3.478 4.124 -3.731 138 2HB LYS 18 1HB LYS 18 -2.688 2.581 -4.053 139 1HG LYS 18 2HG LYS 18 -1.888 3.063 -1.480 140 2HG LYS 18 1HG LYS 18 -3.498 3.782 -1.482 141 1HD LYS 18 2HD LYS 18 -2.999 1.027 -2.610 142 2HD LYS 18 1HD LYS 18 -3.341 1.278 -0.897 143 1HE LYS 18 2HE LYS 18 -5.527 1.989 -1.299 144 2HE LYS 18 1HE LYS 18 -5.156 2.525 -2.949 145 1HZ LYS 18 1HZ LYS 18 -4.519 0.004 -3.205 146 2HZ LYS 18 2HZ LYS 18 -6.125 0.525 -3.404 147 3HZ LYS 18 3HZ LYS 18 -5.635 -0.185 -1.942 148 H ILE 19 H ILE 19 -0.227 3.897 -1.345 149 HA ILE 19 HA ILE 19 -1.167 6.390 -0.142 150 HB ILE 19 HB ILE 19 0.745 4.185 0.681 151 1HG1 ILE 19 2HG1 ILE 19 -1.938 4.842 1.885 152 2HG1 ILE 19 1HG1 ILE 19 -1.834 3.869 0.416 153 1HG2 ILE 19 1HG2 ILE 19 -0.382 6.398 2.420 154 2HG2 ILE 19 2HG2 ILE 19 1.250 6.418 1.753 155 3HG2 ILE 19 3HG2 ILE 19 0.779 5.156 2.892 156 1HD1 ILE 19 1HD1 ILE 19 -0.282 2.317 1.594 157 2HD1 ILE 19 2HD1 ILE 19 -1.866 2.394 2.364 158 3HD1 ILE 19 3HD1 ILE 19 -0.499 3.258 3.069 159 H VAL 20 H VAL 20 2.056 5.098 -1.057 160 HA VAL 20 HA VAL 20 3.491 7.520 -0.454 161 HB VAL 20 HB VAL 20 4.174 5.355 -2.462 162 1HG1 VAL 20 1HG1 VAL 20 5.801 7.238 -0.738 163 2HG1 VAL 20 2HG1 VAL 20 5.748 7.177 -2.499 164 3HG1 VAL 20 3HG1 VAL 20 6.498 5.862 -1.594 165 1HG2 VAL 20 1HG2 VAL 20 3.505 4.999 0.243 166 2HG2 VAL 20 2HG2 VAL 20 5.267 4.994 0.204 167 3HG2 VAL 20 3HG2 VAL 20 4.361 3.853 -0.789 168 H GLU 21 H GLU 21 2.252 6.173 -3.532 169 HA GLU 21 HA GLU 21 3.133 7.981 -5.414 170 1HB GLU 21 2HB GLU 21 1.566 6.035 -5.705 171 2HB GLU 21 1HB GLU 21 0.263 7.049 -5.084 172 1HG GLU 21 2HG GLU 21 1.592 8.548 -7.101 173 2HG GLU 21 1HG GLU 21 1.311 6.933 -7.754 174 H ARG 22 H ARG 22 0.494 8.536 -3.077 175 HA ARG 22 HA ARG 22 -0.576 10.954 -3.913 176 1HB ARG 22 2HB ARG 22 -0.004 9.598 -1.342 177 2HB ARG 22 1HB ARG 22 -0.318 11.328 -1.214 178 1HG ARG 22 2HG ARG 22 -2.500 11.125 -1.895 179 2HG ARG 22 1HG ARG 22 -2.147 9.770 -2.969 180 1HD ARG 22 2HD ARG 22 -3.257 8.614 -1.293 181 2HD ARG 22 1HD ARG 22 -1.624 8.580 -0.598 182 HE ARG 22 HE ARG 22 -2.476 10.944 0.361 183 1HH1 ARG 22 1HH1 ARG 22 -2.707 8.284 1.909 184 2HH1 ARG 22 2HH1 ARG 22 -4.345 8.385 2.462 185 1HH2 ARG 22 1HH2 ARG 22 -5.207 10.934 0.275 186 2HH2 ARG 22 2HH2 ARG 22 -5.762 9.885 1.538 187 H ARG 23 H ARG 23 2.519 10.480 -2.197 188 HA ARG 23 HA ARG 23 3.301 13.097 -1.670 189 1HB ARG 23 2HB ARG 23 4.687 11.257 -1.048 190 2HB ARG 23 1HB ARG 23 4.790 10.678 -2.711 191 1HG ARG 23 2HG ARG 23 5.723 13.441 -2.397 192 2HG ARG 23 1HG ARG 23 6.670 12.280 -1.467 193 1HD ARG 23 2HD ARG 23 7.285 11.052 -3.396 194 2HD ARG 23 1HD ARG 23 5.984 11.768 -4.369 195 HE ARG 23 HE ARG 23 7.254 13.995 -3.955 196 1HH1 ARG 23 1HH2 ARG 23 9.126 11.472 -2.865 197 2HH1 ARG 23 2HH2 ARG 23 10.491 11.792 -3.881 198 1HH2 ARG 23 1HH1 ARG 23 8.843 14.171 -5.793 199 2HH2 ARG 23 2HH1 ARG 23 10.331 13.322 -5.538 200 H ARG 24 H ARG 24 3.813 11.355 -4.765 201 HA ARG 24 HA ARG 24 4.834 13.677 -6.158 202 1HB ARG 24 2HB ARG 24 4.996 11.083 -6.591 203 2HB ARG 24 1HB ARG 24 3.488 11.325 -7.473 204 1HG ARG 24 2HG ARG 24 4.582 12.231 -9.220 205 2HG ARG 24 1HG ARG 24 5.402 13.385 -8.167 206 1HD ARG 24 2HD ARG 24 7.041 11.922 -9.325 207 2HD ARG 24 1HD ARG 24 7.069 11.625 -7.574 208 HE ARG 24 HE ARG 24 5.454 9.707 -8.062 209 1HH1 ARG 24 1HH1 ARG 24 5.068 10.216 -10.965 210 2HH1 ARG 24 2HH1 ARG 24 6.195 9.119 -11.693 211 1HH2 ARG 24 1HH2 ARG 24 7.998 8.617 -8.773 212 2HH2 ARG 24 2HH2 ARG 24 7.852 8.213 -10.453 213 H ALA 25 H ALA 25 1.657 12.007 -6.244 214 HA ALA 25 HA ALA 25 0.260 13.569 -8.060 215 1HB ALA 25 1HB ALA 25 -0.321 12.069 -5.573 216 2HB ALA 25 2HB ALA 25 -1.101 11.965 -7.152 217 3HB ALA 25 3HB ALA 25 -1.555 13.244 -6.027 218 H GLU 26 H GLU 26 1.237 14.423 -4.773 219 HA GLU 26 HA GLU 26 -0.205 16.962 -4.778 220 1HB GLU 26 2HB GLU 26 1.592 15.389 -2.981 221 2HB GLU 26 1HB GLU 26 1.433 17.118 -2.671 222 1HG GLU 26 2HG GLU 26 -1.068 16.816 -2.696 223 2HG GLU 26 1HG GLU 26 -0.801 15.075 -2.785 224 H GLY 27 H GLY 27 3.029 15.795 -5.533 225 1HA GLY 27 2HA GLY 27 4.541 17.028 -6.964 226 2HA GLY 27 1HA GLY 27 3.719 18.519 -6.499 227 H ALA 28 H ALA 28 4.472 16.276 -3.977 228 HA ALA 28 HA ALA 28 5.879 18.053 -2.341 229 1HB ALA 28 1HB ALA 28 6.753 15.206 -2.395 230 2HB ALA 28 2HB ALA 28 5.024 15.495 -2.197 231 3HB ALA 28 3HB ALA 28 6.170 16.172 -1.040 232 H LYS 29 H LYS 29 8.320 17.703 -1.734 233 HA LYS 29 HA LYS 29 10.007 17.208 -4.145 234 1HB LYS 29 2HB LYS 29 11.160 19.428 -3.524 235 2HB LYS 29 1HB LYS 29 9.573 19.545 -4.284 236 1HG LYS 29 2HG LYS 29 8.500 20.067 -2.253 237 2HG LYS 29 1HG LYS 29 9.835 19.443 -1.284 238 1HD LYS 29 2HD LYS 29 11.201 21.335 -2.538 239 2HD LYS 29 1HD LYS 29 9.603 22.056 -2.730 240 1HE LYS 29 2HE LYS 29 9.242 21.987 -0.302 241 2HE LYS 29 1HE LYS 29 10.813 21.191 -0.077 242 1HZ LYS 29 1HZ LYS 29 11.206 23.491 0.199 243 2HZ LYS 29 2HZ LYS 29 10.286 23.897 -1.171 244 3HZ LYS 29 3HZ LYS 29 11.781 23.112 -1.352 245 H SER 30 H SER 30 9.450 16.395 -1.069 246 HA SER 30 HA SER 30 12.337 16.360 -0.271 247 1HB SER 30 2HB SER 30 9.865 15.920 1.426 248 2HB SER 30 1HB SER 30 11.500 16.260 1.990 249 HG SER 30 HG SER 30 10.899 18.269 1.893 250 H THR 31 H THR 31 13.326 14.373 -0.096 251 HA THR 31 HA THR 31 12.022 11.987 -1.072 252 HB THR 31 HB THR 31 14.504 11.860 0.576 253 HG1 THR 31 1HG THR 31 15.631 12.897 -1.149 254 1HG2 THR 31 1HG2 THR 31 15.224 10.397 -1.146 255 2HG2 THR 31 2HG2 THR 31 14.039 11.032 -2.289 256 3HG2 THR 31 3HG2 THR 31 13.510 10.033 -0.935 257 H ASP 32 H ASP 32 11.748 13.526 1.892 258 HA ASP 32 HA ASP 32 11.929 11.605 3.904 259 1HB ASP 32 2HB ASP 32 11.098 14.125 3.753 260 2HB ASP 32 1HB ASP 32 9.506 13.364 3.706 261 H VAL 33 H VAL 33 9.502 11.890 1.357 262 HA VAL 33 HA VAL 33 7.939 9.633 2.518 263 HB VAL 33 HB VAL 33 7.517 11.667 0.318 264 1HG1 VAL 33 1HG1 VAL 33 5.107 10.362 0.642 265 2HG1 VAL 33 2HG1 VAL 33 6.268 9.036 0.713 266 3HG1 VAL 33 3HG1 VAL 33 6.229 10.098 -0.694 267 1HG2 VAL 33 1HG2 VAL 33 6.073 12.692 1.793 268 2HG2 VAL 33 2HG2 VAL 33 7.153 11.937 2.967 269 3HG2 VAL 33 3HG2 VAL 33 5.616 11.172 2.563 270 H SER 34 H SER 34 7.841 7.630 1.488 271 HA SER 34 HA SER 34 8.630 7.158 -1.245 272 1HB SER 34 2HB SER 34 10.784 7.807 0.018 273 2HB SER 34 1HB SER 34 10.634 6.252 0.830 274 HG SER 34 HG SER 34 10.992 5.228 -1.035 275 H PHE 35 H PHE 35 8.521 4.845 -1.764 276 HA PHE 35 HA PHE 35 6.514 3.359 -0.512 277 1HB PHE 35 2HB PHE 35 7.751 3.026 -2.735 278 2HB PHE 35 1HB PHE 35 8.980 2.171 -1.802 279 HD1 PHE 35 1HD PHE 35 8.264 0.180 -0.374 280 HD2 PHE 35 2HD PHE 35 5.731 1.953 -3.356 281 HE1 PHE 35 1HE PHE 35 6.869 -1.869 -0.406 282 HE2 PHE 35 2HE PHE 35 4.336 -0.096 -3.390 283 HZ PHE 35 HZ PHE 35 4.905 -2.008 -1.914 284 H SER 36 H SER 36 10.016 2.651 -0.150 285 HA SER 36 HA SER 36 9.832 0.810 1.967 286 1HB SER 36 2HB SER 36 11.954 0.995 1.070 287 2HB SER 36 1HB SER 36 11.836 2.745 0.897 288 HG SER 36 HG SER 36 12.513 1.186 3.131 289 H SER 37 H SER 37 9.741 4.351 2.067 290 HA SER 37 HA SER 37 9.977 4.572 4.950 291 1HB SER 37 2HB SER 37 10.009 6.790 4.421 292 2HB SER 37 1HB SER 37 10.097 6.225 2.755 293 HG SER 37 HG SER 37 8.241 7.702 3.768 294 H ILE 38 H ILE 38 7.171 4.965 2.740 295 HA ILE 38 HA ILE 38 5.180 5.196 4.760 296 HB ILE 38 HB ILE 38 5.209 4.197 1.904 297 1HG1 ILE 38 2HG1 ILE 38 5.708 6.631 2.526 298 2HG1 ILE 38 1HG1 ILE 38 4.389 6.385 1.381 299 1HG2 ILE 38 1HG2 ILE 38 2.992 4.296 3.900 300 2HG2 ILE 38 2HG2 ILE 38 3.233 3.194 2.543 301 3HG2 ILE 38 3HG2 ILE 38 2.630 4.826 2.258 302 1HD1 ILE 38 1HD1 ILE 38 2.922 7.347 2.787 303 2HD1 ILE 38 2HD1 ILE 38 4.269 7.744 3.854 304 3HD1 ILE 38 3HD1 ILE 38 3.379 6.238 4.081 305 H SER 39 H SER 39 6.335 2.301 2.994 306 HA SER 39 HA SER 39 4.654 0.327 4.005 307 1HB SER 39 2HB SER 39 6.423 -1.159 3.433 308 2HB SER 39 1HB SER 39 6.669 0.243 2.395 309 HG SER 39 HG SER 39 8.497 -0.700 3.766 310 H THR 40 H THR 40 7.549 1.691 5.600 311 HA THR 40 HA THR 40 7.692 0.094 7.892 312 HB THR 40 HB THR 40 8.055 3.083 7.518 313 HG1 THR 40 1HG THR 40 10.082 1.158 7.724 314 1HG2 THR 40 1HG2 THR 40 8.729 1.237 9.799 315 2HG2 THR 40 2HG2 THR 40 7.960 2.823 9.856 316 3HG2 THR 40 3HG2 THR 40 9.684 2.690 9.499 317 H MET 41 H MET 41 6.101 3.305 7.955 318 HA MET 41 HA MET 41 4.672 2.961 10.348 319 1HB MET 41 2HB MET 41 3.314 4.808 9.506 320 2HB MET 41 1HB MET 41 4.984 5.051 8.996 321 1HG MET 41 2HG MET 41 4.525 4.546 6.775 322 2HG MET 41 1HG MET 41 3.134 3.544 7.182 323 1HE MET 41 1HE MET 41 0.665 5.439 5.742 324 2HE MET 41 2HE MET 41 0.397 4.864 7.385 325 3HE MET 41 3HE MET 41 1.424 3.939 6.292 326 H LEU 42 H LEU 42 4.039 1.618 7.191 327 HA LEU 42 HA LEU 42 1.242 1.025 7.531 328 1HB LEU 42 2HB LEU 42 3.344 0.700 5.628 329 2HB LEU 42 1HB LEU 42 2.584 -0.876 5.860 330 HG LEU 42 HG LEU 42 0.413 0.823 5.773 331 1HD1 LEU 42 1HD1 LEU 42 2.679 2.087 4.427 332 2HD1 LEU 42 2HD1 LEU 42 1.100 2.760 4.831 333 3HD1 LEU 42 3HD1 LEU 42 1.310 1.835 3.344 334 1HD2 LEU 42 1HD2 LEU 42 0.648 -0.008 3.171 335 2HD2 LEU 42 2HD2 LEU 42 0.059 -1.023 4.487 336 3HD2 LEU 42 3HD2 LEU 42 1.749 -1.115 3.991 337 H LEU 43 H LEU 43 3.967 -1.316 7.515 338 HA LEU 43 HA LEU 43 2.418 -3.362 8.830 339 1HB LEU 43 2HB LEU 43 4.282 -3.877 7.368 340 2HB LEU 43 1HB LEU 43 5.389 -2.958 8.392 341 HG LEU 43 HG LEU 43 4.109 -4.746 10.132 342 1HD1 LEU 43 1HD1 LEU 43 3.355 -6.355 8.685 343 2HD1 LEU 43 2HD1 LEU 43 5.041 -6.870 8.732 344 3HD1 LEU 43 3HD1 LEU 43 4.463 -5.867 7.401 345 1HD2 LEU 43 1HD2 LEU 43 6.428 -4.050 10.327 346 2HD2 LEU 43 2HD2 LEU 43 6.831 -4.812 8.789 347 3HD2 LEU 43 3HD2 LEU 43 6.394 -5.807 10.177 348 H GLU 44 H GLU 44 4.495 -0.773 10.041 349 HA GLU 44 HA GLU 44 4.929 -1.870 12.673 350 1HB GLU 44 2HB GLU 44 5.127 0.748 11.255 351 2HB GLU 44 1HB GLU 44 5.034 0.817 13.015 352 1HG GLU 44 2HG GLU 44 6.906 -0.863 13.108 353 2HG GLU 44 1HG GLU 44 7.064 -0.706 11.359 354 H LEU 45 H LEU 45 2.438 0.090 11.160 355 HA LEU 45 HA LEU 45 0.842 0.104 13.672 356 1HB LEU 45 2HB LEU 45 0.319 2.188 12.952 357 2HB LEU 45 1HB LEU 45 1.474 1.958 11.649 358 HG LEU 45 HG LEU 45 -0.545 0.751 10.457 359 1HD1 LEU 45 1HD1 LEU 45 -1.831 1.199 12.761 360 2HD1 LEU 45 2HD1 LEU 45 -2.671 1.225 11.211 361 3HD1 LEU 45 3HD1 LEU 45 -2.177 2.737 11.970 362 1HD2 LEU 45 1HD2 LEU 45 -0.192 3.730 10.838 363 2HD2 LEU 45 2HD2 LEU 45 -1.313 3.055 9.656 364 3HD2 LEU 45 3HD2 LEU 45 0.416 2.729 9.520 365 H GLY 46 H GLY 46 1.313 -1.992 11.238 366 1HA GLY 46 2HA GLY 46 0.004 -3.682 10.270 367 2HA GLY 46 1HA GLY 46 -1.153 -3.383 11.570 368 H LEU 47 H LEU 47 -0.200 -0.782 9.489 369 HA LEU 47 HA LEU 47 -1.643 0.676 8.272 370 1HB LEU 47 2HB LEU 47 -2.042 -0.360 6.132 371 2HB LEU 47 1HB LEU 47 -0.556 -1.053 6.776 372 HG LEU 47 HG LEU 47 -3.048 -2.483 7.510 373 1HD1 LEU 47 1HD1 LEU 47 -2.382 -1.841 4.739 374 2HD1 LEU 47 2HD1 LEU 47 -3.837 -2.587 5.397 375 3HD1 LEU 47 3HD1 LEU 47 -2.426 -3.580 5.034 376 1HD2 LEU 47 1HD2 LEU 47 -1.543 -4.135 7.853 377 2HD2 LEU 47 2HD2 LEU 47 -0.286 -2.941 7.527 378 3HD2 LEU 47 3HD2 LEU 47 -0.893 -3.960 6.223 379 H ARG 48 H ARG 48 -3.048 -0.536 10.570 380 HA ARG 48 HA ARG 48 -5.651 -1.481 9.683 381 1HB ARG 48 2HB ARG 48 -4.383 -1.854 11.897 382 2HB ARG 48 1HB ARG 48 -4.942 -0.242 12.349 383 1HG ARG 48 2HG ARG 48 -7.277 -0.941 11.999 384 2HG ARG 48 1HG ARG 48 -6.731 -2.549 11.523 385 1HD ARG 48 2HD ARG 48 -5.700 -2.854 13.766 386 2HD ARG 48 1HD ARG 48 -6.315 -1.260 14.246 387 HE ARG 48 HE ARG 48 -8.140 -3.455 13.331 388 1HH1 ARG 48 1HH2 ARG 48 -9.098 -0.593 13.793 389 2HH1 ARG 48 2HH2 ARG 48 -9.764 -0.719 15.388 390 1HH2 ARG 48 1HH1 ARG 48 -8.206 -3.737 16.086 391 2HH2 ARG 48 2HH1 ARG 48 -9.259 -2.499 16.684 392 H VAL 49 H VAL 49 -4.228 1.647 9.965 393 HA VAL 49 HA VAL 49 -6.380 3.302 10.693 394 HB VAL 49 HB VAL 49 -5.174 4.916 9.057 395 1HG1 VAL 49 1HG1 VAL 49 -3.969 5.428 10.889 396 2HG1 VAL 49 2HG1 VAL 49 -3.021 3.949 10.745 397 3HG1 VAL 49 3HG1 VAL 49 -4.556 3.933 11.614 398 1HG2 VAL 49 1HG2 VAL 49 -3.235 4.180 7.969 399 2HG2 VAL 49 2HG2 VAL 49 -4.305 2.793 7.770 400 3HG2 VAL 49 3HG2 VAL 49 -3.062 2.774 9.021 401 H TYR 50 H TYR 50 -5.726 4.010 7.404 402 HA TYR 50 HA TYR 50 -8.316 4.261 6.501 403 1HB TYR 50 2HB TYR 50 -7.201 3.541 4.229 404 2HB TYR 50 1HB TYR 50 -6.617 4.980 5.063 405 HD1 TYR 50 1HD TYR 50 -6.004 1.297 4.753 406 HD2 TYR 50 2HD TYR 50 -4.361 5.153 5.696 407 HE1 TYR 50 1HE TYR 50 -3.742 0.295 4.912 408 HE2 TYR 50 2HE TYR 50 -2.099 4.150 5.854 409 HH TYR 50 HH TYR 50 -1.280 1.549 6.410 410 H GLU 51 H GLU 51 -6.505 1.207 6.777 411 HA GLU 51 HA GLU 51 -8.284 -0.435 5.284 412 1HB GLU 51 2HB GLU 51 -5.880 -0.639 6.494 413 2HB GLU 51 1HB GLU 51 -6.875 -1.501 7.665 414 1HG GLU 51 2HG GLU 51 -7.597 -2.271 4.981 415 2HG GLU 51 1HG GLU 51 -5.864 -2.486 5.227 416 H ALA 52 H ALA 52 -8.733 1.157 8.281 417 HA ALA 52 HA ALA 52 -10.346 -0.719 9.714 418 1HB ALA 52 1HB ALA 52 -10.836 2.249 9.716 419 2HB ALA 52 2HB ALA 52 -9.288 1.630 10.289 420 3HB ALA 52 3HB ALA 52 -10.785 1.134 11.081 421 H GLN 53 H GLN 53 -11.328 1.974 7.562 422 HA GLN 53 HA GLN 53 -14.091 0.999 7.490 423 1HB GLN 53 2HB GLN 53 -12.657 3.255 6.058 424 2HB GLN 53 1HB GLN 53 -14.407 3.042 6.134 425 1HG GLN 53 2HG GLN 53 -14.188 3.109 8.667 426 2HG GLN 53 1HG GLN 53 -12.520 3.626 8.427 427 1HE2 GLN 53 1HE2 GLN 53 -15.868 4.657 8.266 428 2HE2 GLN 53 2HE2 GLN 53 -15.552 6.270 7.842 429 H MET 54 H MET 54 -11.215 0.406 5.760 430 HA MET 54 HA MET 54 -12.614 -0.250 3.221 431 1HB MET 54 2HB MET 54 -9.737 -0.094 4.152 432 2HB MET 54 1HB MET 54 -10.175 -0.709 2.557 433 1HG MET 54 2HG MET 54 -11.408 1.877 3.340 434 2HG MET 54 1HG MET 54 -9.672 1.905 3.030 435 1HE MET 54 1HE MET 54 -12.479 2.835 0.028 436 2HE MET 54 2HE MET 54 -11.392 3.689 1.120 437 3HE MET 54 3HE MET 54 -12.720 2.738 1.778 438 H GLU 55 H GLU 55 -12.902 -1.832 5.817 439 HA GLU 55 HA GLU 55 -11.479 -4.286 5.711 440 1HB GLU 55 2HB GLU 55 -14.153 -3.352 6.726 441 2HB GLU 55 1HB GLU 55 -13.729 -5.061 6.834 442 1HG GLU 55 2HG GLU 55 -11.888 -2.884 7.837 443 2HG GLU 55 1HG GLU 55 -13.123 -3.614 8.862 444 H ARG 56 H ARG 56 -13.044 -6.406 5.337 445 HA ARG 56 HA ARG 56 -13.308 -6.697 2.505 446 1HB ARG 56 2HB ARG 56 -14.261 -8.217 4.936 447 2HB ARG 56 1HB ARG 56 -14.599 -8.794 3.305 448 1HG ARG 56 2HG ARG 56 -11.817 -8.011 3.567 449 2HG ARG 56 1HG ARG 56 -12.248 -9.222 4.775 450 1HD ARG 56 2HD ARG 56 -13.121 -9.610 1.918 451 2HD ARG 56 1HD ARG 56 -11.471 -10.046 2.409 452 HE ARG 56 HE ARG 56 -13.897 -11.107 3.816 453 1HH1 ARG 56 1HH2 ARG 56 -10.899 -11.349 4.701 454 2HH1 ARG 56 2HH2 ARG 56 -10.597 -12.995 4.253 455 1HH2 ARG 56 1HH1 ARG 56 -13.441 -13.259 2.287 456 2HH2 ARG 56 2HH1 ARG 56 -12.036 -14.075 2.886 Start of MODEL 7 1 1H ALA 2 1H ALA 2 18.737 -14.457 -17.412 2 2H ALA 2 2H ALA 2 19.142 -13.038 -16.571 3 3H ALA 2 3H ALA 2 17.517 -13.385 -16.924 4 HA ALA 2 HA ALA 2 18.035 -15.554 -15.545 5 1HB ALA 2 1HB ALA 2 20.062 -13.438 -14.774 6 2HB ALA 2 2HB ALA 2 20.381 -15.090 -15.301 7 3HB ALA 2 3HB ALA 2 19.656 -14.793 -13.721 8 H LYS 3 H LYS 3 15.813 -15.000 -15.132 9 HA LYS 3 HA LYS 3 15.450 -12.962 -12.961 10 1HB LYS 3 2HB LYS 3 14.152 -13.307 -15.625 11 2HB LYS 3 1HB LYS 3 13.116 -12.802 -14.290 12 1HG LYS 3 2HG LYS 3 14.248 -10.796 -13.987 13 2HG LYS 3 1HG LYS 3 15.744 -11.417 -14.686 14 1HD LYS 3 2HD LYS 3 13.740 -11.570 -16.703 15 2HD LYS 3 1HD LYS 3 13.651 -9.959 -15.990 16 1HE LYS 3 2HE LYS 3 16.353 -11.092 -16.667 17 2HE LYS 3 1HE LYS 3 15.350 -10.399 -17.960 18 1HZ LYS 3 1HZ LYS 3 15.955 -9.054 -15.378 19 2HZ LYS 3 2HZ LYS 3 15.080 -8.398 -16.678 20 3HZ LYS 3 3HZ LYS 3 16.740 -8.716 -16.844 21 H VAL 4 H VAL 4 13.370 -13.368 -11.737 22 HA VAL 4 HA VAL 4 12.854 -16.311 -11.524 23 HB VAL 4 HB VAL 4 12.693 -13.996 -9.574 24 1HG1 VAL 4 1HG1 VAL 4 11.146 -16.358 -9.576 25 2HG1 VAL 4 2HG1 VAL 4 11.345 -15.217 -8.246 26 3HG1 VAL 4 3HG1 VAL 4 12.415 -16.612 -8.378 27 1HG2 VAL 4 1HG2 VAL 4 14.798 -15.685 -10.367 28 2HG2 VAL 4 2HG2 VAL 4 14.260 -16.320 -8.812 29 3HG2 VAL 4 3HG2 VAL 4 14.767 -14.637 -8.949 30 H GLN 5 H GLN 5 10.728 -17.033 -11.713 31 HA GLN 5 HA GLN 5 8.756 -15.691 -13.129 32 1HB GLN 5 2HB GLN 5 8.709 -17.805 -10.979 33 2HB GLN 5 1HB GLN 5 7.212 -17.279 -11.749 34 1HG GLN 5 2HG GLN 5 7.791 -18.166 -13.803 35 2HG GLN 5 1HG GLN 5 9.520 -17.967 -13.517 36 1HE2 GLN 5 1HE2 GLN 5 7.021 -19.633 -11.522 37 2HE2 GLN 5 2HE2 GLN 5 7.813 -21.134 -11.520 38 H ALA 6 H ALA 6 6.559 -14.948 -12.223 39 HA ALA 6 HA ALA 6 6.909 -13.388 -9.685 40 1HB ALA 6 1HB ALA 6 6.228 -12.578 -12.468 41 2HB ALA 6 2HB ALA 6 7.083 -11.678 -11.216 42 3HB ALA 6 3HB ALA 6 5.323 -11.785 -11.179 43 H TYR 7 H TYR 7 5.525 -14.641 -8.392 44 HA TYR 7 HA TYR 7 2.802 -15.259 -9.463 45 1HB TYR 7 2HB TYR 7 4.751 -16.482 -7.617 46 2HB TYR 7 1HB TYR 7 3.084 -16.544 -7.045 47 HD1 TYR 7 1HD TYR 7 1.447 -16.867 -9.359 48 HD2 TYR 7 2HD TYR 7 5.341 -18.515 -8.598 49 HE1 TYR 7 1HE TYR 7 0.972 -18.719 -10.937 50 HE2 TYR 7 2HE TYR 7 4.864 -20.368 -10.178 51 HH TYR 7 HH TYR 7 2.596 -21.512 -11.037 52 H VAL 8 H VAL 8 1.347 -15.444 -7.163 53 HA VAL 8 HA VAL 8 0.782 -12.693 -6.493 54 HB VAL 8 HB VAL 8 -0.940 -14.394 -6.545 55 1HG1 VAL 8 1HG1 VAL 8 1.081 -15.975 -5.324 56 2HG1 VAL 8 2HG1 VAL 8 -0.520 -16.493 -5.854 57 3HG1 VAL 8 3HG1 VAL 8 -0.280 -15.925 -4.202 58 1HG2 VAL 8 1HG2 VAL 8 -0.842 -14.149 -3.613 59 2HG2 VAL 8 2HG2 VAL 8 -2.058 -13.566 -4.748 60 3HG2 VAL 8 3HG2 VAL 8 -0.597 -12.623 -4.461 61 H SER 9 H SER 9 2.778 -11.867 -5.571 62 HA SER 9 HA SER 9 3.863 -13.139 -3.139 63 1HB SER 9 2HB SER 9 5.665 -11.693 -3.515 64 2HB SER 9 1HB SER 9 5.041 -11.907 -5.148 65 HG SER 9 HG SER 9 5.274 -9.725 -4.786 66 H ASP 10 H ASP 10 4.583 -10.771 -1.761 67 HA ASP 10 HA ASP 10 2.402 -10.331 -0.027 68 1HB ASP 10 2HB ASP 10 4.847 -8.682 -0.725 69 2HB ASP 10 1HB ASP 10 3.806 -8.333 0.656 70 H GLU 11 H GLU 11 0.608 -9.953 -1.591 71 HA GLU 11 HA GLU 11 0.255 -8.002 -3.493 72 1HB GLU 11 2HB GLU 11 -1.327 -9.650 -1.955 73 2HB GLU 11 1HB GLU 11 -1.882 -8.051 -1.462 74 1HG GLU 11 2HG GLU 11 -2.743 -7.559 -3.528 75 2HG GLU 11 1HG GLU 11 -1.489 -8.463 -4.379 76 H ILE 12 H ILE 12 0.539 -7.470 -0.006 77 HA ILE 12 HA ILE 12 -0.382 -4.824 0.237 78 HB ILE 12 HB ILE 12 1.846 -6.415 1.515 79 1HG1 ILE 12 2HG1 ILE 12 -0.944 -5.537 2.294 80 2HG1 ILE 12 1HG1 ILE 12 -0.335 -7.182 2.119 81 1HG2 ILE 12 1HG2 ILE 12 1.969 -4.623 3.239 82 2HG2 ILE 12 2HG2 ILE 12 0.908 -3.622 2.248 83 3HG2 ILE 12 3HG2 ILE 12 2.512 -4.059 1.659 84 1HD1 ILE 12 1HD1 ILE 12 -0.090 -7.068 4.383 85 2HD1 ILE 12 2HD1 ILE 12 -0.070 -5.305 4.390 86 3HD1 ILE 12 3HD1 ILE 12 1.393 -6.201 3.986 87 H VAL 13 H VAL 13 2.593 -6.031 -1.221 88 HA VAL 13 HA VAL 13 4.271 -3.824 -1.273 89 HB VAL 13 HB VAL 13 4.852 -5.928 -2.297 90 1HG1 VAL 13 1HG1 VAL 13 3.585 -7.034 -3.864 91 2HG1 VAL 13 2HG1 VAL 13 3.051 -5.543 -4.638 92 3HG1 VAL 13 3HG1 VAL 13 2.294 -6.076 -3.137 93 1HG2 VAL 13 1HG2 VAL 13 5.745 -3.751 -3.300 94 2HG2 VAL 13 2HG2 VAL 13 4.571 -3.980 -4.596 95 3HG2 VAL 13 3HG2 VAL 13 5.843 -5.174 -4.336 96 H TYR 14 H TYR 14 1.558 -4.410 -3.554 97 HA TYR 14 HA TYR 14 1.860 -1.846 -4.875 98 1HB TYR 14 2HB TYR 14 0.664 -4.192 -5.452 99 2HB TYR 14 1HB TYR 14 -0.738 -3.311 -4.841 100 HD1 TYR 14 1HD TYR 14 -0.588 -0.655 -5.666 101 HD2 TYR 14 2HD TYR 14 0.858 -4.110 -7.769 102 HE1 TYR 14 1HE TYR 14 -0.747 0.583 -7.809 103 HE2 TYR 14 2HE TYR 14 0.699 -2.872 -9.913 104 HH TYR 14 HH TYR 14 -1.019 -0.463 -10.521 105 H LYS 15 H LYS 15 -0.028 -3.046 -2.142 106 HA LYS 15 HA LYS 15 -1.913 -0.957 -1.855 107 1HB LYS 15 2HB LYS 15 -1.563 -3.207 -0.613 108 2HB LYS 15 1HB LYS 15 -0.470 -2.299 0.435 109 1HG LYS 15 2HG LYS 15 -2.226 -0.798 1.103 110 2HG LYS 15 1HG LYS 15 -3.319 -1.438 -0.125 111 1HD LYS 15 2HD LYS 15 -3.596 -3.487 1.022 112 2HD LYS 15 1HD LYS 15 -2.165 -3.221 2.019 113 1HE LYS 15 2HE LYS 15 -3.282 -1.844 3.491 114 2HE LYS 15 1HE LYS 15 -4.348 -1.193 2.230 115 1HZ LYS 15 1HZ LYS 15 -4.549 -3.735 3.694 116 2HZ LYS 15 2HZ LYS 15 -5.153 -3.646 2.109 117 3HZ LYS 15 3HZ LYS 15 -5.767 -2.619 3.314 118 H ILE 16 H ILE 16 1.375 -1.210 -0.442 119 HA ILE 16 HA ILE 16 1.436 1.227 0.971 120 HB ILE 16 HB ILE 16 3.610 -0.195 -0.603 121 1HG1 ILE 16 2HG1 ILE 16 2.436 -1.627 1.042 122 2HG1 ILE 16 1HG1 ILE 16 4.089 -1.288 1.557 123 1HG2 ILE 16 1HG2 ILE 16 4.325 1.229 1.864 124 2HG2 ILE 16 2HG2 ILE 16 3.751 2.296 0.583 125 3HG2 ILE 16 3HG2 ILE 16 5.126 1.231 0.294 126 1HD1 ILE 16 1HD1 ILE 16 1.519 -0.385 2.735 127 2HD1 ILE 16 2HD1 ILE 16 2.817 0.809 2.701 128 3HD1 ILE 16 3HD1 ILE 16 3.058 -0.733 3.523 129 H ASN 17 H ASN 17 2.328 0.622 -2.445 130 HA ASN 17 HA ASN 17 3.236 3.118 -3.252 131 1HB ASN 17 2HB ASN 17 1.436 1.061 -4.541 132 2HB ASN 17 1HB ASN 17 1.995 2.476 -5.433 133 1HD2 ASN 17 1HD2 ASN 17 2.871 0.047 -6.405 134 2HD2 ASN 17 2HD2 ASN 17 4.507 -0.200 -6.023 135 H LYS 18 H LYS 18 -0.212 2.119 -3.238 136 HA LYS 18 HA LYS 18 -1.474 4.434 -4.066 137 1HB LYS 18 2HB LYS 18 -2.066 2.390 -1.933 138 2HB LYS 18 1HB LYS 18 -3.202 3.705 -2.240 139 1HG LYS 18 2HG LYS 18 -3.947 2.725 -4.129 140 2HG LYS 18 1HG LYS 18 -2.302 2.491 -4.725 141 1HD LYS 18 2HD LYS 18 -2.531 0.289 -4.317 142 2HD LYS 18 1HD LYS 18 -2.614 0.666 -2.595 143 1HE LYS 18 2HE LYS 18 -4.801 0.082 -2.549 144 2HE LYS 18 1HE LYS 18 -5.163 1.244 -3.842 145 1HZ LYS 18 1HZ LYS 18 -4.871 -0.304 -5.455 146 2HZ LYS 18 2HZ LYS 18 -5.348 -1.361 -4.214 147 3HZ LYS 18 3HZ LYS 18 -3.701 -1.169 -4.585 148 H ILE 19 H ILE 19 -0.171 3.815 -0.798 149 HA ILE 19 HA ILE 19 -1.029 6.406 0.238 150 HB ILE 19 HB ILE 19 1.022 4.432 1.289 151 1HG1 ILE 19 2HG1 ILE 19 -1.189 3.381 0.712 152 2HG1 ILE 19 1HG1 ILE 19 -0.822 3.336 2.436 153 1HG2 ILE 19 1HG2 ILE 19 -0.657 5.729 3.247 154 2HG2 ILE 19 2HG2 ILE 19 0.121 6.942 2.230 155 3HG2 ILE 19 3HG2 ILE 19 1.100 5.764 3.103 156 1HD1 ILE 19 1HD1 ILE 19 -2.467 4.847 2.967 157 2HD1 ILE 19 2HD1 ILE 19 -3.187 4.210 1.488 158 3HD1 ILE 19 3HD1 ILE 19 -2.292 5.729 1.449 159 H VAL 20 H VAL 20 1.923 5.078 -1.187 160 HA VAL 20 HA VAL 20 3.656 7.284 -0.474 161 HB VAL 20 HB VAL 20 3.881 5.398 -2.833 162 1HG1 VAL 20 1HG1 VAL 20 6.137 5.870 -2.784 163 2HG1 VAL 20 2HG1 VAL 20 6.143 6.172 -1.047 164 3HG1 VAL 20 3HG1 VAL 20 5.524 7.398 -2.153 165 1HG2 VAL 20 1HG2 VAL 20 5.263 4.305 -0.653 166 2HG2 VAL 20 2HG2 VAL 20 3.768 3.691 -1.359 167 3HG2 VAL 20 3HG2 VAL 20 3.706 4.801 0.008 168 H GLU 21 H GLU 21 1.920 6.432 -3.490 169 HA GLU 21 HA GLU 21 2.714 8.591 -5.106 170 1HB GLU 21 2HB GLU 21 0.909 6.469 -5.159 171 2HB GLU 21 1HB GLU 21 -0.119 7.891 -5.330 172 1HG GLU 21 2HG GLU 21 0.468 7.481 -7.550 173 2HG GLU 21 1HG GLU 21 1.706 8.645 -7.072 174 H ARG 22 H ARG 22 -0.215 8.446 -3.028 175 HA ARG 22 HA ARG 22 -1.244 10.998 -3.401 176 1HB ARG 22 2HB ARG 22 -1.388 8.873 -1.509 177 2HB ARG 22 1HB ARG 22 -1.241 10.375 -0.595 178 1HG ARG 22 2HG ARG 22 -3.540 10.304 -0.917 179 2HG ARG 22 1HG ARG 22 -3.046 11.231 -2.334 180 1HD ARG 22 2HD ARG 22 -4.518 9.528 -3.168 181 2HD ARG 22 1HD ARG 22 -2.882 8.955 -3.551 182 HE ARG 22 HE ARG 22 -3.187 7.233 -1.964 183 1HH1 ARG 22 1HH2 ARG 22 -6.175 8.403 -2.325 184 2HH1 ARG 22 2HH2 ARG 22 -6.698 8.234 -0.685 185 1HH2 ARG 22 1HH1 ARG 22 -3.516 7.625 0.549 186 2HH2 ARG 22 2HH1 ARG 22 -5.194 7.795 0.944 187 H ARG 23 H ARG 23 1.308 10.117 -1.039 188 HA ARG 23 HA ARG 23 1.818 12.598 0.123 189 1HB ARG 23 2HB ARG 23 3.588 10.307 -0.747 190 2HB ARG 23 1HB ARG 23 4.239 11.680 0.149 191 1HG ARG 23 2HG ARG 23 1.760 10.422 1.222 192 2HG ARG 23 1HG ARG 23 3.260 9.510 1.389 193 1HD ARG 23 2HD ARG 23 3.482 10.780 3.299 194 2HD ARG 23 1HD ARG 23 4.102 11.994 2.161 195 HE ARG 23 HE ARG 23 2.101 13.203 2.475 196 1HH1 ARG 23 1HH1 ARG 23 1.822 11.433 5.015 197 2HH1 ARG 23 2HH1 ARG 23 0.167 10.949 4.865 198 1HH2 ARG 23 1HH2 ARG 23 -0.094 11.918 1.546 199 2HH2 ARG 23 2HH2 ARG 23 -0.920 11.224 2.901 200 H ARG 24 H ARG 24 3.916 11.405 -2.519 201 HA ARG 24 HA ARG 24 4.913 13.977 -3.235 202 1HB ARG 24 2HB ARG 24 5.042 11.217 -4.097 203 2HB ARG 24 1HB ARG 24 4.946 12.281 -5.501 204 1HG ARG 24 2HG ARG 24 6.967 13.286 -5.051 205 2HG ARG 24 1HG ARG 24 6.792 13.094 -3.306 206 1HD ARG 24 2HD ARG 24 7.149 10.602 -3.636 207 2HD ARG 24 1HD ARG 24 7.587 10.966 -5.317 208 HE ARG 24 HE ARG 24 9.185 11.631 -2.952 209 1HH1 ARG 24 1HH2 ARG 24 9.385 11.100 -6.188 210 2HH1 ARG 24 2HH2 ARG 24 10.457 12.412 -6.551 211 1HH2 ARG 24 1HH1 ARG 24 10.157 13.875 -3.423 212 2HH2 ARG 24 2HH1 ARG 24 10.896 13.981 -4.986 213 H ALA 25 H ALA 25 2.262 12.040 -4.658 214 HA ALA 25 HA ALA 25 1.499 13.581 -6.829 215 1HB ALA 25 1HB ALA 25 0.264 11.629 -6.345 216 2HB ALA 25 2HB ALA 25 -0.890 12.914 -5.987 217 3HB ALA 25 3HB ALA 25 -0.021 12.117 -4.675 218 H GLU 26 H GLU 26 0.858 14.266 -3.396 219 HA GLU 26 HA GLU 26 -0.523 16.774 -4.065 220 1HB GLU 26 2HB GLU 26 0.182 15.414 -1.449 221 2HB GLU 26 1HB GLU 26 -0.879 16.815 -1.608 222 1HG GLU 26 2HG GLU 26 -1.977 15.082 -3.431 223 2HG GLU 26 1HG GLU 26 -1.423 13.973 -2.176 224 H GLY 27 H GLY 27 2.646 15.671 -3.169 225 1HA GLY 27 2HA GLY 27 4.651 16.894 -3.001 226 2HA GLY 27 1HA GLY 27 3.747 18.343 -3.445 227 H ALA 28 H ALA 28 3.141 16.160 -0.705 228 HA ALA 28 HA ALA 28 3.443 18.523 1.107 229 1HB ALA 28 1HB ALA 28 2.146 15.896 1.800 230 2HB ALA 28 2HB ALA 28 1.295 17.054 0.778 231 3HB ALA 28 3HB ALA 28 1.774 17.507 2.414 232 H LYS 29 H LYS 29 5.818 17.235 0.286 233 HA LYS 29 HA LYS 29 7.176 16.722 2.703 234 1HB LYS 29 2HB LYS 29 5.463 14.579 1.775 235 2HB LYS 29 1HB LYS 29 7.143 14.040 1.809 236 1HG LYS 29 2HG LYS 29 6.966 15.425 4.168 237 2HG LYS 29 1HG LYS 29 5.349 14.735 4.042 238 1HD LYS 29 2HD LYS 29 6.556 12.517 3.473 239 2HD LYS 29 1HD LYS 29 7.998 13.299 4.122 240 1HE LYS 29 2HE LYS 29 6.794 11.986 5.871 241 2HE LYS 29 1HE LYS 29 6.810 13.719 6.258 242 1HZ LYS 29 1HZ LYS 29 4.631 13.967 5.711 243 2HZ LYS 29 2HZ LYS 29 4.570 12.342 6.203 244 3HZ LYS 29 3HZ LYS 29 4.654 12.730 4.551 245 H SER 30 H SER 30 9.329 16.885 2.165 246 HA SER 30 HA SER 30 10.273 17.162 -0.491 247 1HB SER 30 2HB SER 30 11.331 16.883 2.241 248 2HB SER 30 1HB SER 30 12.452 16.342 0.995 249 HG SER 30 HG SER 30 11.569 18.498 0.002 250 H THR 31 H THR 31 12.523 15.450 -0.647 251 HA THR 31 HA THR 31 11.332 13.069 -1.801 252 HB THR 31 HB THR 31 13.728 12.513 -2.206 253 HG1 THR 31 1HG THR 31 15.263 14.018 -1.409 254 1HG2 THR 31 1HG2 THR 31 13.282 15.468 -2.647 255 2HG2 THR 31 2HG2 THR 31 12.409 14.239 -3.562 256 3HG2 THR 31 3HG2 THR 31 14.168 14.336 -3.670 257 H ASP 32 H ASP 32 10.450 12.989 0.803 258 HA ASP 32 HA ASP 32 12.259 11.121 2.266 259 1HB ASP 32 2HB ASP 32 11.058 13.331 3.128 260 2HB ASP 32 1HB ASP 32 9.692 12.236 3.343 261 H VAL 33 H VAL 33 9.117 11.380 0.702 262 HA VAL 33 HA VAL 33 8.000 8.919 1.734 263 HB VAL 33 HB VAL 33 7.452 10.563 -0.760 264 1HG1 VAL 33 1HG1 VAL 33 5.646 8.581 0.655 265 2HG1 VAL 33 2HG1 VAL 33 6.565 8.201 -0.802 266 3HG1 VAL 33 3HG1 VAL 33 5.311 9.442 -0.848 267 1HG2 VAL 33 1HG2 VAL 33 6.096 11.897 0.534 268 2HG2 VAL 33 2HG2 VAL 33 7.235 11.413 1.790 269 3HG2 VAL 33 3HG2 VAL 33 5.685 10.585 1.640 270 H SER 34 H SER 34 7.685 6.940 0.475 271 HA SER 34 HA SER 34 8.836 6.321 -2.030 272 1HB SER 34 2HB SER 34 10.699 6.600 0.231 273 2HB SER 34 1HB SER 34 10.868 5.072 -0.630 274 HG SER 34 HG SER 34 11.916 6.214 -2.044 275 H PHE 35 H PHE 35 8.468 4.108 -2.522 276 HA PHE 35 HA PHE 35 6.555 2.622 -1.181 277 1HB PHE 35 2HB PHE 35 7.340 2.024 -3.376 278 2HB PHE 35 1HB PHE 35 8.981 1.767 -2.782 279 HD1 PHE 35 1HD PHE 35 9.639 -0.432 -2.408 280 HD2 PHE 35 2HD PHE 35 5.491 0.610 -2.007 281 HE1 PHE 35 1HE PHE 35 9.093 -2.800 -1.908 282 HE2 PHE 35 2HE PHE 35 4.946 -1.758 -1.506 283 HZ PHE 35 HZ PHE 35 6.746 -3.462 -1.457 284 H SER 36 H SER 36 10.095 2.196 -0.791 285 HA SER 36 HA SER 36 9.914 0.288 1.343 286 1HB SER 36 2HB SER 36 11.898 0.625 -0.051 287 2HB SER 36 1HB SER 36 12.053 2.281 0.528 288 HG SER 36 HG SER 36 12.138 1.209 2.692 289 H SER 37 H SER 37 9.814 3.808 1.274 290 HA SER 37 HA SER 37 10.241 4.123 4.153 291 1HB SER 37 2HB SER 37 10.905 5.843 2.560 292 2HB SER 37 1HB SER 37 9.263 5.945 1.933 293 HG SER 37 HG SER 37 8.949 7.362 3.443 294 H ILE 38 H ILE 38 7.410 4.605 1.984 295 HA ILE 38 HA ILE 38 5.531 5.020 4.126 296 HB ILE 38 HB ILE 38 5.301 4.164 1.227 297 1HG1 ILE 38 2HG1 ILE 38 6.207 6.454 1.807 298 2HG1 ILE 38 1HG1 ILE 38 4.727 6.482 0.846 299 1HG2 ILE 38 1HG2 ILE 38 3.318 4.022 3.276 300 2HG2 ILE 38 2HG2 ILE 38 3.108 3.764 1.546 301 3HG2 ILE 38 3HG2 ILE 38 2.906 5.378 2.228 302 1HD1 ILE 38 1HD1 ILE 38 3.416 6.747 2.960 303 2HD1 ILE 38 2HD1 ILE 38 4.517 8.092 2.662 304 3HD1 ILE 38 3HD1 ILE 38 4.935 6.856 3.848 305 H SER 39 H SER 39 6.962 2.153 2.784 306 HA SER 39 HA SER 39 4.900 0.251 3.391 307 1HB SER 39 2HB SER 39 7.827 0.289 2.834 308 2HB SER 39 1HB SER 39 7.181 -1.173 3.573 309 HG SER 39 HG SER 39 7.141 -0.666 1.083 310 H THR 40 H THR 40 7.979 0.695 5.171 311 HA THR 40 HA THR 40 7.319 -0.707 7.499 312 HB THR 40 HB THR 40 8.935 1.840 7.165 313 HG1 THR 40 1HG THR 40 10.003 0.485 5.955 314 1HG2 THR 40 1HG2 THR 40 9.550 1.652 9.323 315 2HG2 THR 40 2HG2 THR 40 9.875 -0.072 9.140 316 3HG2 THR 40 3HG2 THR 40 8.243 0.483 9.514 317 H MET 41 H MET 41 6.542 2.672 6.678 318 HA MET 41 HA MET 41 5.526 3.459 9.212 319 1HB MET 41 2HB MET 41 5.124 5.386 8.066 320 2HB MET 41 1HB MET 41 5.963 4.583 6.748 321 1HG MET 41 2HG MET 41 3.958 5.362 5.768 322 2HG MET 41 1HG MET 41 3.633 3.663 6.089 323 1HE MET 41 1HE MET 41 1.620 6.493 5.819 324 2HE MET 41 2HE MET 41 0.297 5.680 6.652 325 3HE MET 41 3HE MET 41 1.285 4.785 5.501 326 H LEU 42 H LEU 42 3.927 1.849 6.478 327 HA LEU 42 HA LEU 42 1.270 1.874 7.605 328 1HB LEU 42 2HB LEU 42 2.496 1.217 5.220 329 2HB LEU 42 1HB LEU 42 2.010 -0.361 5.838 330 HG LEU 42 HG LEU 42 -0.045 1.735 6.126 331 1HD1 LEU 42 1HD1 LEU 42 -0.347 2.306 3.949 332 2HD1 LEU 42 2HD1 LEU 42 0.033 0.682 3.378 333 3HD1 LEU 42 3HD1 LEU 42 1.334 1.815 3.743 334 1HD2 LEU 42 1HD2 LEU 42 0.137 -1.133 5.191 335 2HD2 LEU 42 2HD2 LEU 42 -1.352 -0.204 5.012 336 3HD2 LEU 42 3HD2 LEU 42 -0.682 -0.497 6.617 337 H LEU 43 H LEU 43 4.036 -0.306 7.902 338 HA LEU 43 HA LEU 43 2.597 -2.503 9.103 339 1HB LEU 43 2HB LEU 43 4.802 -2.628 7.962 340 2HB LEU 43 1HB LEU 43 5.514 -1.695 9.281 341 HG LEU 43 HG LEU 43 4.184 -3.678 10.640 342 1HD1 LEU 43 1HD1 LEU 43 4.337 -5.724 9.536 343 2HD1 LEU 43 2HD1 LEU 43 5.583 -5.150 8.430 344 3HD1 LEU 43 3HD1 LEU 43 3.907 -4.653 8.203 345 1HD2 LEU 43 1HD2 LEU 43 6.566 -4.758 10.652 346 2HD2 LEU 43 2HD2 LEU 43 6.375 -3.128 11.297 347 3HD2 LEU 43 3HD2 LEU 43 7.022 -3.363 9.674 348 H GLU 44 H GLU 44 4.550 0.169 10.507 349 HA GLU 44 HA GLU 44 4.392 -0.600 13.220 350 1HB GLU 44 2HB GLU 44 5.156 1.573 13.613 351 2HB GLU 44 1HB GLU 44 5.552 1.396 11.906 352 1HG GLU 44 2HG GLU 44 3.283 2.431 11.397 353 2HG GLU 44 1HG GLU 44 3.166 2.818 13.111 354 H LEU 45 H LEU 45 2.052 0.952 11.123 355 HA LEU 45 HA LEU 45 0.112 1.465 13.268 356 1HB LEU 45 2HB LEU 45 0.638 2.179 10.522 357 2HB LEU 45 1HB LEU 45 -1.028 1.617 10.673 358 HG LEU 45 HG LEU 45 0.090 3.556 12.681 359 1HD1 LEU 45 1HD1 LEU 45 -0.409 4.042 9.829 360 2HD1 LEU 45 2HD1 LEU 45 0.428 5.050 11.011 361 3HD1 LEU 45 3HD1 LEU 45 -1.331 5.110 10.887 362 1HD2 LEU 45 1HD2 LEU 45 -2.570 4.126 12.015 363 2HD2 LEU 45 2HD2 LEU 45 -2.018 3.246 13.440 364 3HD2 LEU 45 3HD2 LEU 45 -2.478 2.364 11.985 365 H GLY 46 H GLY 46 1.050 -1.226 11.404 366 1HA GLY 46 2HA GLY 46 0.121 -3.370 11.210 367 2HA GLY 46 1HA GLY 46 -1.025 -2.905 12.467 368 H LEU 47 H LEU 47 -0.576 -1.327 9.312 369 HA LEU 47 HA LEU 47 -2.245 -0.788 7.706 370 1HB LEU 47 2HB LEU 47 -2.632 -3.747 8.250 371 2HB LEU 47 1HB LEU 47 -3.230 -2.906 6.819 372 HG LEU 47 HG LEU 47 -0.447 -2.274 7.205 373 1HD1 LEU 47 1HD1 LEU 47 0.379 -4.632 6.704 374 2HD1 LEU 47 2HD1 LEU 47 -1.204 -5.203 7.228 375 3HD1 LEU 47 3HD1 LEU 47 -0.157 -4.352 8.361 376 1HD2 LEU 47 1HD2 LEU 47 -1.795 -2.170 5.093 377 2HD2 LEU 47 2HD2 LEU 47 -1.837 -3.934 5.078 378 3HD2 LEU 47 3HD2 LEU 47 -0.299 -3.086 4.911 379 H ARG 48 H ARG 48 -3.127 -0.204 10.400 380 HA ARG 48 HA ARG 48 -5.762 -1.340 10.874 381 1HB ARG 48 2HB ARG 48 -3.850 0.510 12.089 382 2HB ARG 48 1HB ARG 48 -5.525 1.006 12.337 383 1HG ARG 48 2HG ARG 48 -5.231 -1.857 12.703 384 2HG ARG 48 1HG ARG 48 -4.138 -0.970 13.767 385 1HD ARG 48 2HD ARG 48 -6.012 0.375 14.620 386 2HD ARG 48 1HD ARG 48 -7.126 -0.459 13.517 387 HE ARG 48 HE ARG 48 -6.135 -1.543 15.997 388 1HH1 ARG 48 1HH1 ARG 48 -8.627 -2.478 14.634 389 2HH1 ARG 48 2HH1 ARG 48 -8.184 -4.067 14.108 390 1HH2 ARG 48 1HH2 ARG 48 -4.778 -3.533 14.489 391 2HH2 ARG 48 2HH2 ARG 48 -6.006 -4.665 14.027 392 H VAL 49 H VAL 49 -5.118 2.146 10.629 393 HA VAL 49 HA VAL 49 -7.593 3.102 10.000 394 HB VAL 49 HB VAL 49 -4.882 3.826 8.869 395 1HG1 VAL 49 1HG1 VAL 49 -6.485 4.788 7.360 396 2HG1 VAL 49 2HG1 VAL 49 -5.975 6.077 8.452 397 3HG1 VAL 49 3HG1 VAL 49 -7.530 5.280 8.692 398 1HG2 VAL 49 1HG2 VAL 49 -4.791 5.392 10.654 399 2HG2 VAL 49 2HG2 VAL 49 -5.430 3.921 11.387 400 3HG2 VAL 49 3HG2 VAL 49 -6.518 5.247 10.976 401 H TYR 50 H TYR 50 -5.490 3.075 7.203 402 HA TYR 50 HA TYR 50 -7.214 3.011 5.125 403 1HB TYR 50 2HB TYR 50 -5.381 0.957 4.433 404 2HB TYR 50 1HB TYR 50 -5.264 2.668 4.052 405 HD1 TYR 50 1HD TYR 50 -4.832 0.571 7.160 406 HD2 TYR 50 2HD TYR 50 -3.208 3.574 4.555 407 HE1 TYR 50 1HE TYR 50 -2.852 0.793 8.640 408 HE2 TYR 50 2HE TYR 50 -1.229 3.793 6.033 409 HH TYR 50 HH TYR 50 -0.238 3.101 7.886 410 H GLU 51 H GLU 51 -6.734 0.224 7.261 411 HA GLU 51 HA GLU 51 -8.047 -1.702 5.604 412 1HB GLU 51 2HB GLU 51 -6.733 -1.414 8.102 413 2HB GLU 51 1HB GLU 51 -8.261 -2.206 8.402 414 1HG GLU 51 2HG GLU 51 -6.934 -3.233 6.017 415 2HG GLU 51 1HG GLU 51 -5.947 -3.426 7.465 416 H ALA 52 H ALA 52 -9.184 0.630 8.021 417 HA ALA 52 HA ALA 52 -11.757 -0.336 8.587 418 1HB ALA 52 1HB ALA 52 -11.043 2.550 7.998 419 2HB ALA 52 2HB ALA 52 -10.506 1.714 9.455 420 3HB ALA 52 3HB ALA 52 -12.228 1.952 9.159 421 H GLN 53 H GLN 53 -10.561 1.212 5.650 422 HA GLN 53 HA GLN 53 -13.001 1.918 4.403 423 1HB GLN 53 2HB GLN 53 -10.466 0.785 3.175 424 2HB GLN 53 1HB GLN 53 -11.654 1.798 2.355 425 1HG GLN 53 2HG GLN 53 -10.581 2.907 4.883 426 2HG GLN 53 1HG GLN 53 -9.421 2.780 3.560 427 1HE2 GLN 53 1HE2 GLN 53 -11.628 4.894 4.878 428 2HE2 GLN 53 2HE2 GLN 53 -12.012 5.798 3.493 429 H MET 54 H MET 54 -11.501 -1.228 4.862 430 HA MET 54 HA MET 54 -12.332 -3.397 4.422 431 1HB MET 54 2HB MET 54 -14.917 -1.948 3.794 432 2HB MET 54 1HB MET 54 -14.721 -3.574 4.448 433 1HG MET 54 2HG MET 54 -13.341 -1.901 6.232 434 2HG MET 54 1HG MET 54 -14.836 -1.043 5.859 435 1HE MET 54 1HE MET 54 -13.763 -2.020 8.439 436 2HE MET 54 2HE MET 54 -14.820 -3.139 9.298 437 3HE MET 54 3HE MET 54 -15.448 -1.584 8.759 438 H GLU 55 H GLU 55 -10.976 -2.138 2.293 439 HA GLU 55 HA GLU 55 -12.643 -2.628 -0.123 440 1HB GLU 55 2HB GLU 55 -10.511 -0.876 0.688 441 2HB GLU 55 1HB GLU 55 -10.019 -1.774 -0.746 442 1HG GLU 55 2HG GLU 55 -11.159 0.277 -1.434 443 2HG GLU 55 1HG GLU 55 -12.157 -1.115 -1.852 444 H ARG 56 H ARG 56 -11.509 -4.712 1.663 445 HA ARG 56 HA ARG 56 -9.855 -6.183 -0.364 446 1HB ARG 56 2HB ARG 56 -9.007 -5.303 2.042 447 2HB ARG 56 1HB ARG 56 -9.694 -6.850 2.535 448 1HG ARG 56 2HG ARG 56 -8.232 -7.321 0.146 449 2HG ARG 56 1HG ARG 56 -7.201 -6.350 1.199 450 1HD ARG 56 2HD ARG 56 -8.691 -8.724 2.318 451 2HD ARG 56 1HD ARG 56 -7.132 -8.940 1.496 452 HE ARG 56 HE ARG 56 -7.513 -7.672 4.089 453 1HH1 ARG 56 1HH2 ARG 56 -6.301 -5.442 2.628 454 2HH1 ARG 56 2HH2 ARG 56 -4.603 -5.778 2.720 455 1HH2 ARG 56 1HH1 ARG 56 -5.040 -9.105 3.594 456 2HH2 ARG 56 2HH1 ARG 56 -3.890 -7.851 3.267 Start of MODEL 8 1 1H ALA 2 1H ALA 2 5.178 -11.049 -24.410 2 2H ALA 2 2H ALA 2 5.625 -10.728 -22.802 3 3H ALA 2 3H ALA 2 5.620 -9.478 -23.952 4 HA ALA 2 HA ALA 2 3.207 -9.655 -24.168 5 1HB ALA 2 1HB ALA 2 3.895 -12.138 -22.862 6 2HB ALA 2 2HB ALA 2 2.368 -11.680 -23.618 7 3HB ALA 2 3HB ALA 2 2.663 -11.296 -21.922 8 H LYS 3 H LYS 3 5.072 -10.010 -21.138 9 HA LYS 3 HA LYS 3 4.966 -8.740 -19.136 10 1HB LYS 3 2HB LYS 3 5.022 -6.957 -21.529 11 2HB LYS 3 1HB LYS 3 4.754 -6.192 -19.963 12 1HG LYS 3 2HG LYS 3 7.021 -6.214 -19.809 13 2HG LYS 3 1HG LYS 3 6.801 -7.909 -19.372 14 1HD LYS 3 2HD LYS 3 7.990 -8.484 -21.192 15 2HD LYS 3 1HD LYS 3 6.704 -7.811 -22.195 16 1HE LYS 3 2HE LYS 3 8.474 -6.493 -22.922 17 2HE LYS 3 1HE LYS 3 7.950 -5.514 -21.538 18 1HZ LYS 3 1HZ LYS 3 10.249 -7.300 -21.780 19 2HZ LYS 3 2HZ LYS 3 9.450 -7.273 -20.280 20 3HZ LYS 3 3HZ LYS 3 10.099 -5.841 -20.928 21 H VAL 4 H VAL 4 2.720 -9.779 -18.779 22 HA VAL 4 HA VAL 4 0.609 -7.643 -18.831 23 HB VAL 4 HB VAL 4 0.453 -10.649 -19.215 24 1HG1 VAL 4 1HG1 VAL 4 -1.442 -9.145 -17.932 25 2HG1 VAL 4 2HG1 VAL 4 -1.797 -10.594 -18.873 26 3HG1 VAL 4 3HG1 VAL 4 -1.966 -9.001 -19.610 27 1HG2 VAL 4 1HG2 VAL 4 0.383 -8.257 -20.974 28 2HG2 VAL 4 2HG2 VAL 4 -0.810 -9.507 -21.329 29 3HG2 VAL 4 3HG2 VAL 4 0.910 -9.900 -21.332 30 H GLN 5 H GLN 5 1.475 -10.719 -17.198 31 HA GLN 5 HA GLN 5 1.461 -9.601 -14.551 32 1HB GLN 5 2HB GLN 5 -0.767 -10.634 -13.885 33 2HB GLN 5 1HB GLN 5 -0.889 -9.243 -14.964 34 1HG GLN 5 2HG GLN 5 -1.883 -10.487 -16.554 35 2HG GLN 5 1HG GLN 5 -0.582 -11.678 -16.497 36 1HE2 GLN 5 1HE2 GLN 5 -2.606 -13.170 -16.816 37 2HE2 GLN 5 2HE2 GLN 5 -3.375 -13.708 -15.401 38 H ALA 6 H ALA 6 0.621 -11.759 -13.043 39 HA ALA 6 HA ALA 6 1.445 -14.321 -14.120 40 1HB ALA 6 1HB ALA 6 3.603 -13.131 -14.084 41 2HB ALA 6 2HB ALA 6 3.601 -14.428 -12.890 42 3HB ALA 6 3HB ALA 6 3.376 -12.757 -12.375 43 H TYR 7 H TYR 7 -0.515 -14.913 -12.974 44 HA TYR 7 HA TYR 7 -1.710 -15.729 -11.105 45 1HB TYR 7 2HB TYR 7 0.686 -16.783 -11.023 46 2HB TYR 7 1HB TYR 7 0.936 -15.688 -9.663 47 HD1 TYR 7 1HD TYR 7 -1.395 -18.311 -10.958 48 HD2 TYR 7 2HD TYR 7 0.132 -16.237 -7.519 49 HE1 TYR 7 1HE TYR 7 -2.625 -19.870 -9.472 50 HE2 TYR 7 2HE TYR 7 -1.097 -17.796 -6.034 51 HH TYR 7 HH TYR 7 -2.099 -19.931 -6.036 52 H VAL 8 H VAL 8 -2.452 -15.073 -8.934 53 HA VAL 8 HA VAL 8 -1.714 -12.236 -8.291 54 HB VAL 8 HB VAL 8 -4.284 -13.826 -8.095 55 1HG1 VAL 8 1HG1 VAL 8 -5.299 -11.848 -7.073 56 2HG1 VAL 8 2HG1 VAL 8 -3.749 -11.007 -7.111 57 3HG1 VAL 8 3HG1 VAL 8 -3.964 -12.412 -6.068 58 1HG2 VAL 8 1HG2 VAL 8 -3.771 -12.880 -10.300 59 2HG2 VAL 8 2HG2 VAL 8 -3.487 -11.298 -9.574 60 3HG2 VAL 8 3HG2 VAL 8 -5.108 -11.993 -9.567 61 H SER 9 H SER 9 -1.006 -11.837 -6.214 62 HA SER 9 HA SER 9 -1.410 -13.964 -4.143 63 1HB SER 9 2HB SER 9 1.170 -12.521 -4.145 64 2HB SER 9 1HB SER 9 0.845 -14.234 -3.898 65 HG SER 9 HG SER 9 1.204 -14.559 -5.942 66 H ASP 10 H ASP 10 0.061 -12.639 -2.132 67 HA ASP 10 HA ASP 10 -1.812 -10.792 -1.075 68 1HB ASP 10 2HB ASP 10 0.032 -10.339 0.537 69 2HB ASP 10 1HB ASP 10 -0.158 -12.065 0.227 70 H GLU 11 H GLU 11 -2.109 -9.361 -3.023 71 HA GLU 11 HA GLU 11 -0.015 -7.676 -4.035 72 1HB GLU 11 2HB GLU 11 -2.623 -8.289 -4.640 73 2HB GLU 11 1HB GLU 11 -2.782 -6.643 -4.025 74 1HG GLU 11 2HG GLU 11 -1.246 -5.786 -5.638 75 2HG GLU 11 1HG GLU 11 -0.707 -7.403 -6.089 76 H ILE 12 H ILE 12 0.619 -7.393 -1.481 77 HA ILE 12 HA ILE 12 -0.812 -5.134 -0.226 78 HB ILE 12 HB ILE 12 1.494 -6.957 0.469 79 1HG1 ILE 12 2HG1 ILE 12 -0.946 -7.649 0.703 80 2HG1 ILE 12 1HG1 ILE 12 0.006 -7.740 2.187 81 1HG2 ILE 12 1HG2 ILE 12 1.245 -5.673 2.762 82 2HG2 ILE 12 2HG2 ILE 12 0.676 -4.360 1.731 83 3HG2 ILE 12 3HG2 ILE 12 2.293 -5.027 1.500 84 1HD1 ILE 12 1HD1 ILE 12 -1.868 -5.495 1.385 85 2HD1 ILE 12 2HD1 ILE 12 -0.836 -5.472 2.814 86 3HD1 ILE 12 3HD1 ILE 12 -2.127 -6.666 2.678 87 H VAL 13 H VAL 13 2.615 -5.765 -1.090 88 HA VAL 13 HA VAL 13 3.663 -3.202 -0.826 89 HB VAL 13 HB VAL 13 5.262 -3.960 -2.589 90 1HG1 VAL 13 1HG1 VAL 13 4.396 -5.571 -0.268 91 2HG1 VAL 13 2HG1 VAL 13 6.003 -4.972 -0.687 92 3HG1 VAL 13 3HG1 VAL 13 5.383 -6.441 -1.442 93 1HG2 VAL 13 1HG2 VAL 13 4.759 -6.317 -3.497 94 2HG2 VAL 13 2HG2 VAL 13 3.845 -4.985 -4.203 95 3HG2 VAL 13 3HG2 VAL 13 3.094 -6.028 -2.996 96 H TYR 14 H TYR 14 1.603 -4.443 -3.416 97 HA TYR 14 HA TYR 14 1.979 -2.219 -5.232 98 1HB TYR 14 2HB TYR 14 1.119 -4.588 -5.673 99 2HB TYR 14 1HB TYR 14 -0.411 -4.061 -4.972 100 HD1 TYR 14 1HD TYR 14 2.114 -2.648 -7.376 101 HD2 TYR 14 2HD TYR 14 -2.021 -3.445 -6.529 102 HE1 TYR 14 1HE TYR 14 1.473 -1.622 -9.541 103 HE2 TYR 14 2HE TYR 14 -2.662 -2.421 -8.693 104 HH TYR 14 HH TYR 14 -1.001 -0.433 -10.349 105 H LYS 15 H LYS 15 -0.398 -2.960 -2.680 106 HA LYS 15 HA LYS 15 -2.113 -0.697 -3.182 107 1HB LYS 15 2HB LYS 15 -1.777 -2.893 -1.301 108 2HB LYS 15 1HB LYS 15 -2.262 -1.414 -0.471 109 1HG LYS 15 2HG LYS 15 -3.958 -1.265 -2.533 110 2HG LYS 15 1HG LYS 15 -3.740 -3.016 -2.510 111 1HD LYS 15 2HD LYS 15 -4.234 -1.640 0.096 112 2HD LYS 15 1HD LYS 15 -5.599 -1.839 -1.004 113 1HE LYS 15 2HE LYS 15 -4.603 -4.334 -1.157 114 2HE LYS 15 1HE LYS 15 -4.050 -3.915 0.477 115 1HZ LYS 15 1HZ LYS 15 -6.819 -3.687 -0.575 116 2HZ LYS 15 2HZ LYS 15 -6.318 -3.089 0.935 117 3HZ LYS 15 3HZ LYS 15 -6.277 -4.760 0.622 118 H ILE 16 H ILE 16 0.793 -1.183 -1.227 119 HA ILE 16 HA ILE 16 0.620 1.299 0.249 120 HB ILE 16 HB ILE 16 3.036 -0.379 -0.490 121 1HG1 ILE 16 2HG1 ILE 16 0.964 -0.711 1.700 122 2HG1 ILE 16 1HG1 ILE 16 1.357 -1.861 0.423 123 1HG2 ILE 16 1HG2 ILE 16 3.526 1.801 0.570 124 2HG2 ILE 16 2HG2 ILE 16 3.919 0.464 1.650 125 3HG2 ILE 16 3HG2 ILE 16 2.441 1.394 1.899 126 1HD1 ILE 16 1HD1 ILE 16 3.506 -2.318 1.355 127 2HD1 ILE 16 2HD1 ILE 16 2.382 -2.346 2.714 128 3HD1 ILE 16 3HD1 ILE 16 3.405 -0.934 2.445 129 H ASN 17 H ASN 17 2.382 0.313 -2.701 130 HA ASN 17 HA ASN 17 3.811 2.695 -3.201 131 1HB ASN 17 2HB ASN 17 3.327 0.251 -4.416 132 2HB ASN 17 1HB ASN 17 2.642 1.402 -5.564 133 1HD2 ASN 17 1HD2 ASN 17 5.359 -0.244 -5.313 134 2HD2 ASN 17 2HD2 ASN 17 6.516 0.916 -5.759 135 H LYS 18 H LYS 18 0.422 1.891 -3.895 136 HA LYS 18 HA LYS 18 -0.112 4.270 -5.471 137 1HB LYS 18 2HB LYS 18 -1.698 2.119 -4.079 138 2HB LYS 18 1HB LYS 18 -2.524 3.494 -4.816 139 1HG LYS 18 2HG LYS 18 -1.929 2.881 -6.964 140 2HG LYS 18 1HG LYS 18 -0.454 2.067 -6.436 141 1HD LYS 18 2HD LYS 18 -1.542 0.099 -5.967 142 2HD LYS 18 1HD LYS 18 -3.030 0.914 -5.488 143 1HE LYS 18 2HE LYS 18 -2.169 1.028 -8.370 144 2HE LYS 18 1HE LYS 18 -2.989 -0.422 -7.757 145 1HZ LYS 18 1HZ LYS 18 -4.629 1.174 -6.718 146 2HZ LYS 18 2HZ LYS 18 -4.704 1.029 -8.409 147 3HZ LYS 18 3HZ LYS 18 -3.953 2.380 -7.702 148 H ILE 19 H ILE 19 0.025 3.575 -2.059 149 HA ILE 19 HA ILE 19 -1.609 5.880 -1.255 150 HB ILE 19 HB ILE 19 0.208 3.950 0.223 151 1HG1 ILE 19 2HG1 ILE 19 -2.818 4.075 0.147 152 2HG1 ILE 19 1HG1 ILE 19 -1.876 3.055 -0.940 153 1HG2 ILE 19 1HG2 ILE 19 -1.882 5.229 1.786 154 2HG2 ILE 19 2HG2 ILE 19 -0.785 6.425 1.094 155 3HG2 ILE 19 3HG2 ILE 19 -0.151 5.130 2.110 156 1HD1 ILE 19 1HD1 ILE 19 -1.357 2.911 2.011 157 2HD1 ILE 19 2HD1 ILE 19 -1.134 1.670 0.780 158 3HD1 ILE 19 3HD1 ILE 19 -2.756 2.071 1.342 159 H VAL 20 H VAL 20 1.832 5.094 -1.579 160 HA VAL 20 HA VAL 20 2.821 7.453 -0.226 161 HB VAL 20 HB VAL 20 4.191 5.831 -2.384 162 1HG1 VAL 20 1HG1 VAL 20 4.980 7.844 -0.468 163 2HG1 VAL 20 2HG1 VAL 20 5.944 7.084 -1.734 164 3HG1 VAL 20 3HG1 VAL 20 5.833 6.336 -0.141 165 1HG2 VAL 20 1HG2 VAL 20 4.894 4.589 -0.074 166 2HG2 VAL 20 2HG2 VAL 20 3.573 4.035 -1.104 167 3HG2 VAL 20 3HG2 VAL 20 3.231 5.033 0.308 168 H GLU 21 H GLU 21 2.455 6.629 -3.697 169 HA GLU 21 HA GLU 21 3.416 9.039 -4.807 170 1HB GLU 21 2HB GLU 21 1.930 8.373 -6.725 171 2HB GLU 21 1HB GLU 21 2.906 7.041 -6.103 172 1HG GLU 21 2HG GLU 21 1.023 6.197 -4.817 173 2HG GLU 21 1HG GLU 21 0.041 7.589 -5.276 174 H ARG 22 H ARG 22 0.181 8.260 -3.537 175 HA ARG 22 HA ARG 22 -1.346 10.425 -4.385 176 1HB ARG 22 2HB ARG 22 -2.145 8.586 -2.972 177 2HB ARG 22 1HB ARG 22 -1.149 9.158 -1.633 178 1HG ARG 22 2HG ARG 22 -3.306 10.018 -1.163 179 2HG ARG 22 1HG ARG 22 -2.435 11.382 -1.866 180 1HD ARG 22 2HD ARG 22 -3.784 9.672 -3.861 181 2HD ARG 22 1HD ARG 22 -4.884 10.521 -2.754 182 HE ARG 22 HE ARG 22 -3.013 12.449 -3.436 183 1HH1 ARG 22 1HH2 ARG 22 -3.455 10.352 -5.867 184 2HH1 ARG 22 2HH2 ARG 22 -4.378 11.387 -6.902 185 1HH2 ARG 22 1HH1 ARG 22 -4.921 13.788 -4.463 186 2HH2 ARG 22 2HH1 ARG 22 -5.209 13.332 -6.107 187 H ARG 23 H ARG 23 1.236 10.408 -1.969 188 HA ARG 23 HA ARG 23 0.775 12.964 -0.800 189 1HB ARG 23 2HB ARG 23 3.133 11.150 -1.252 190 2HB ARG 23 1HB ARG 23 3.380 12.739 -0.523 191 1HG ARG 23 2HG ARG 23 2.412 12.122 1.435 192 2HG ARG 23 1HG ARG 23 1.117 11.244 0.621 193 1HD ARG 23 2HD ARG 23 2.495 9.297 0.327 194 2HD ARG 23 1HD ARG 23 3.951 10.181 0.826 195 HE ARG 23 HE ARG 23 3.298 9.771 3.051 196 1HH1 ARG 23 1HH1 ARG 23 0.888 8.478 1.160 197 2HH1 ARG 23 2HH1 ARG 23 -0.395 8.709 2.301 198 1HH2 ARG 23 1HH2 ARG 23 1.508 10.654 4.449 199 2HH2 ARG 23 2HH2 ARG 23 -0.044 9.942 4.162 200 H ARG 24 H ARG 24 3.640 12.507 -2.827 201 HA ARG 24 HA ARG 24 3.767 15.177 -3.750 202 1HB ARG 24 2HB ARG 24 5.394 14.291 -5.296 203 2HB ARG 24 1HB ARG 24 5.496 13.298 -3.842 204 1HG ARG 24 2HG ARG 24 4.038 11.607 -4.879 205 2HG ARG 24 1HG ARG 24 3.909 12.601 -6.331 206 1HD ARG 24 2HD ARG 24 6.318 12.394 -6.734 207 2HD ARG 24 1HD ARG 24 6.510 11.479 -5.226 208 HE ARG 24 HE ARG 24 5.164 9.679 -6.211 209 1HH1 ARG 24 1HH1 ARG 24 3.984 11.841 -8.204 210 2HH1 ARG 24 2HH1 ARG 24 4.556 11.174 -9.697 211 1HH2 ARG 24 1HH2 ARG 24 6.786 8.998 -8.173 212 2HH2 ARG 24 2HH2 ARG 24 6.145 9.565 -9.679 213 H ALA 25 H ALA 25 1.928 12.422 -4.963 214 HA ALA 25 HA ALA 25 1.223 13.204 -7.544 215 1HB ALA 25 1HB ALA 25 -0.370 11.988 -5.270 216 2HB ALA 25 2HB ALA 25 0.433 11.145 -6.596 217 3HB ALA 25 3HB ALA 25 -1.011 12.109 -6.908 218 H GLU 26 H GLU 26 -0.267 14.307 -4.477 219 HA GLU 26 HA GLU 26 -2.004 16.203 -5.840 220 1HB GLU 26 2HB GLU 26 -2.838 16.594 -3.662 221 2HB GLU 26 1HB GLU 26 -2.308 14.914 -3.603 222 1HG GLU 26 2HG GLU 26 -0.005 16.107 -2.880 223 2HG GLU 26 1HG GLU 26 -1.142 17.320 -2.290 224 H GLY 27 H GLY 27 1.225 16.246 -4.511 225 1HA GLY 27 2HA GLY 27 2.778 18.015 -5.164 226 2HA GLY 27 1HA GLY 27 1.413 19.133 -5.234 227 H ALA 28 H ALA 28 2.268 16.824 -2.660 228 HA ALA 28 HA ALA 28 1.704 18.614 -0.519 229 1HB ALA 28 1HB ALA 28 2.280 15.975 -0.837 230 2HB ALA 28 2HB ALA 28 2.297 16.785 0.729 231 3HB ALA 28 3HB ALA 28 3.802 16.548 -0.157 232 H LYS 29 H LYS 29 4.022 18.504 1.098 233 HA LYS 29 HA LYS 29 5.959 20.223 -0.417 234 1HB LYS 29 2HB LYS 29 6.061 21.622 1.613 235 2HB LYS 29 1HB LYS 29 4.402 21.509 1.025 236 1HG LYS 29 2HG LYS 29 4.066 19.588 2.647 237 2HG LYS 29 1HG LYS 29 5.639 19.992 3.335 238 1HD LYS 29 2HD LYS 29 4.228 21.246 4.699 239 2HD LYS 29 1HD LYS 29 4.625 22.426 3.451 240 1HE LYS 29 2HE LYS 29 2.288 22.600 3.504 241 2HE LYS 29 1HE LYS 29 2.497 21.367 2.246 242 1HZ LYS 29 1HZ LYS 29 2.177 19.642 3.800 243 2HZ LYS 29 2HZ LYS 29 0.936 20.760 4.112 244 3HZ LYS 29 3HZ LYS 29 2.299 20.694 5.125 245 H SER 30 H SER 30 5.488 18.183 2.488 246 HA SER 30 HA SER 30 8.361 17.386 2.246 247 1HB SER 30 2HB SER 30 6.728 18.357 4.558 248 2HB SER 30 1HB SER 30 7.968 17.148 4.880 249 HG SER 30 HG SER 30 8.238 19.737 3.768 250 H THR 31 H THR 31 5.774 16.209 1.342 251 HA THR 31 HA THR 31 5.792 13.653 2.898 252 HB THR 31 HB THR 31 3.700 13.880 0.921 253 HG1 THR 31 1HG THR 31 2.772 15.753 2.219 254 1HG2 THR 31 1HG2 THR 31 3.569 12.523 2.950 255 2HG2 THR 31 2HG2 THR 31 2.276 13.722 2.951 256 3HG2 THR 31 3HG2 THR 31 3.709 13.969 3.950 257 H ASP 32 H ASP 32 7.908 14.247 1.054 258 HA ASP 32 HA ASP 32 7.316 12.863 -1.478 259 1HB ASP 32 2HB ASP 32 8.807 14.881 -1.184 260 2HB ASP 32 1HB ASP 32 9.939 13.846 -0.312 261 H VAL 33 H VAL 33 7.310 11.497 1.301 262 HA VAL 33 HA VAL 33 9.473 9.739 1.661 263 HB VAL 33 HB VAL 33 7.710 8.271 2.686 264 1HG1 VAL 33 1HG1 VAL 33 7.651 9.672 4.465 265 2HG1 VAL 33 2HG1 VAL 33 6.790 10.916 3.558 266 3HG1 VAL 33 3HG1 VAL 33 8.547 10.801 3.447 267 1HG2 VAL 33 1HG2 VAL 33 6.033 8.885 0.837 268 2HG2 VAL 33 2HG2 VAL 33 5.757 10.377 1.737 269 3HG2 VAL 33 3HG2 VAL 33 5.398 8.820 2.482 270 H SER 34 H SER 34 8.708 7.131 1.311 271 HA SER 34 HA SER 34 7.951 6.780 -1.547 272 1HB SER 34 2HB SER 34 10.351 7.094 -1.583 273 2HB SER 34 1HB SER 34 10.566 5.976 -0.240 274 HG SER 34 HG SER 34 9.635 5.400 -2.860 275 H PHE 35 H PHE 35 7.945 4.300 -2.021 276 HA PHE 35 HA PHE 35 6.086 2.964 -0.401 277 1HB PHE 35 2HB PHE 35 6.659 2.352 -2.697 278 2HB PHE 35 1HB PHE 35 8.289 1.900 -2.198 279 HD1 PHE 35 1HD PHE 35 5.358 1.235 -0.076 280 HD2 PHE 35 2HD PHE 35 8.077 -0.411 -2.966 281 HE1 PHE 35 1HE PHE 35 4.559 -1.048 0.471 282 HE2 PHE 35 2HE PHE 35 7.277 -2.693 -2.418 283 HZ PHE 35 HZ PHE 35 5.519 -3.012 -0.699 284 H SER 36 H SER 36 9.539 2.013 -0.594 285 HA SER 36 HA SER 36 9.725 0.282 1.544 286 1HB SER 36 2HB SER 36 12.054 1.610 1.801 287 2HB SER 36 1HB SER 36 11.716 0.573 0.418 288 HG SER 36 HG SER 36 12.208 3.173 0.442 289 H SER 37 H SER 37 9.960 3.849 1.775 290 HA SER 37 HA SER 37 10.219 3.899 4.652 291 1HB SER 37 2HB SER 37 9.029 6.157 3.092 292 2HB SER 37 1HB SER 37 10.308 6.189 4.304 293 HG SER 37 HG SER 37 11.611 5.067 2.700 294 H ILE 38 H ILE 38 7.456 4.875 2.574 295 HA ILE 38 HA ILE 38 5.535 5.168 4.623 296 HB ILE 38 HB ILE 38 5.461 4.418 1.700 297 1HG1 ILE 38 2HG1 ILE 38 6.100 6.732 2.486 298 2HG1 ILE 38 1HG1 ILE 38 4.680 6.693 1.441 299 1HG2 ILE 38 1HG2 ILE 38 3.260 4.364 3.693 300 2HG2 ILE 38 2HG2 ILE 38 3.412 3.505 2.160 301 3HG2 ILE 38 3HG2 ILE 38 2.914 5.196 2.178 302 1HD1 ILE 38 1HD1 ILE 38 3.374 7.540 3.069 303 2HD1 ILE 38 2HD1 ILE 38 4.839 7.810 4.014 304 3HD1 ILE 38 3HD1 ILE 38 3.922 6.317 4.214 305 H SER 39 H SER 39 6.934 2.272 3.295 306 HA SER 39 HA SER 39 4.784 0.452 4.001 307 1HB SER 39 2HB SER 39 7.733 0.169 3.378 308 2HB SER 39 1HB SER 39 6.684 -1.216 3.659 309 HG SER 39 HG SER 39 7.017 0.143 1.427 310 H THR 40 H THR 40 7.936 1.237 5.517 311 HA THR 40 HA THR 40 7.857 -0.448 7.746 312 HB THR 40 HB THR 40 8.829 2.385 7.319 313 HG1 THR 40 1HG THR 40 9.712 0.350 6.316 314 1HG2 THR 40 1HG2 THR 40 9.006 2.569 9.563 315 2HG2 THR 40 2HG2 THR 40 10.267 1.341 9.449 316 3HG2 THR 40 3HG2 THR 40 8.606 0.869 9.807 317 H MET 41 H MET 41 6.672 2.943 7.705 318 HA MET 41 HA MET 41 5.439 2.914 10.258 319 1HB MET 41 2HB MET 41 4.182 4.853 9.313 320 2HB MET 41 1HB MET 41 5.900 4.916 8.921 321 1HG MET 41 2HG MET 41 5.544 4.573 6.691 322 2HG MET 41 1HG MET 41 4.201 3.465 6.975 323 1HE MET 41 1HE MET 41 2.117 3.780 7.175 324 2HE MET 41 2HE MET 41 1.951 4.486 5.569 325 3HE MET 41 3HE MET 41 1.127 5.227 6.938 326 H LEU 42 H LEU 42 4.371 1.600 7.194 327 HA LEU 42 HA LEU 42 1.560 1.398 7.755 328 1HB LEU 42 2HB LEU 42 3.286 0.912 5.663 329 2HB LEU 42 1HB LEU 42 2.804 -0.720 6.129 330 HG LEU 42 HG LEU 42 0.800 1.505 5.704 331 1HD1 LEU 42 1HD1 LEU 42 0.871 -0.517 3.622 332 2HD1 LEU 42 2HD1 LEU 42 2.410 0.338 3.722 333 3HD1 LEU 42 3HD1 LEU 42 0.915 1.239 3.469 334 1HD2 LEU 42 1HD2 LEU 42 0.262 -1.413 5.337 335 2HD2 LEU 42 2HD2 LEU 42 -0.805 -0.143 5.936 336 3HD2 LEU 42 3HD2 LEU 42 0.445 -0.813 6.985 337 H LEU 43 H LEU 43 4.018 -1.224 7.795 338 HA LEU 43 HA LEU 43 2.369 -3.114 9.153 339 1HB LEU 43 2HB LEU 43 4.353 -3.740 7.908 340 2HB LEU 43 1HB LEU 43 5.374 -2.757 8.961 341 HG LEU 43 HG LEU 43 3.852 -4.495 10.625 342 1HD1 LEU 43 1HD1 LEU 43 5.100 -6.622 9.589 343 2HD1 LEU 43 2HD1 LEU 43 4.870 -5.718 8.094 344 3HD1 LEU 43 3HD1 LEU 43 3.477 -6.169 9.076 345 1HD2 LEU 43 1HD2 LEU 43 5.870 -4.332 11.619 346 2HD2 LEU 43 2HD2 LEU 43 6.571 -3.664 10.145 347 3HD2 LEU 43 3HD2 LEU 43 6.531 -5.410 10.390 348 H GLU 44 H GLU 44 4.486 -0.549 10.370 349 HA GLU 44 HA GLU 44 4.615 -1.386 13.098 350 1HB GLU 44 2HB GLU 44 6.138 0.264 12.496 351 2HB GLU 44 1HB GLU 44 4.995 1.071 11.430 352 1HG GLU 44 2HG GLU 44 4.296 2.454 13.064 353 2HG GLU 44 1HG GLU 44 4.149 1.128 14.212 354 H LEU 45 H LEU 45 2.294 0.363 11.153 355 HA LEU 45 HA LEU 45 0.538 0.892 13.490 356 1HB LEU 45 2HB LEU 45 0.525 2.789 12.196 357 2HB LEU 45 1HB LEU 45 0.993 1.912 10.742 358 HG LEU 45 HG LEU 45 -1.344 1.016 10.598 359 1HD1 LEU 45 1HD1 LEU 45 -1.598 1.664 13.183 360 2HD1 LEU 45 2HD1 LEU 45 -2.992 1.609 12.104 361 3HD1 LEU 45 3HD1 LEU 45 -2.233 3.154 12.486 362 1HD2 LEU 45 1HD2 LEU 45 -2.238 2.999 9.616 363 2HD2 LEU 45 2HD2 LEU 45 -0.489 3.141 9.444 364 3HD2 LEU 45 3HD2 LEU 45 -1.326 4.040 10.708 365 H GLY 46 H GLY 46 1.088 -1.586 11.288 366 1HA GLY 46 2HA GLY 46 -0.161 -3.508 10.779 367 2HA GLY 46 1HA GLY 46 -1.321 -2.991 12.004 368 H LEU 47 H LEU 47 -0.490 -0.860 9.355 369 HA LEU 47 HA LEU 47 -1.938 0.111 7.741 370 1HB LEU 47 2HB LEU 47 -1.141 -2.193 6.938 371 2HB LEU 47 1HB LEU 47 -2.734 -2.791 7.404 372 HG LEU 47 HG LEU 47 -2.761 -0.336 5.758 373 1HD1 LEU 47 1HD1 LEU 47 -1.396 -1.089 4.131 374 2HD1 LEU 47 2HD1 LEU 47 -2.528 -2.416 3.873 375 3HD1 LEU 47 3HD1 LEU 47 -1.164 -2.621 4.972 376 1HD2 LEU 47 1HD2 LEU 47 -4.430 -2.585 6.423 377 2HD2 LEU 47 2HD2 LEU 47 -4.267 -2.486 4.670 378 3HD2 LEU 47 3HD2 LEU 47 -4.873 -1.101 5.579 379 H ARG 48 H ARG 48 -3.121 -0.436 10.528 380 HA ARG 48 HA ARG 48 -5.899 -1.191 10.118 381 1HB ARG 48 2HB ARG 48 -4.201 -0.040 12.316 382 2HB ARG 48 1HB ARG 48 -5.951 -0.131 12.515 383 1HG ARG 48 2HG ARG 48 -4.167 -2.476 11.794 384 2HG ARG 48 1HG ARG 48 -4.801 -2.149 13.408 385 1HD ARG 48 2HD ARG 48 -7.116 -2.054 12.018 386 2HD ARG 48 1HD ARG 48 -6.212 -3.199 11.007 387 HE ARG 48 HE ARG 48 -5.898 -4.616 12.989 388 1HH1 ARG 48 1HH2 ARG 48 -8.701 -2.808 12.779 389 2HH1 ARG 48 2HH2 ARG 48 -9.165 -2.996 14.437 390 1HH2 ARG 48 1HH1 ARG 48 -6.173 -4.470 15.385 391 2HH2 ARG 48 2HH1 ARG 48 -7.735 -3.939 15.913 392 H VAL 49 H VAL 49 -4.314 1.956 10.811 393 HA VAL 49 HA VAL 49 -6.399 3.695 11.026 394 HB VAL 49 HB VAL 49 -3.855 3.908 9.408 395 1HG1 VAL 49 1HG1 VAL 49 -4.564 5.901 8.647 396 2HG1 VAL 49 2HG1 VAL 49 -4.721 6.451 10.315 397 3HG1 VAL 49 3HG1 VAL 49 -6.096 5.709 9.498 398 1HG2 VAL 49 1HG2 VAL 49 -4.000 3.518 12.001 399 2HG2 VAL 49 2HG2 VAL 49 -4.474 5.215 12.047 400 3HG2 VAL 49 3HG2 VAL 49 -2.908 4.755 11.380 401 H TYR 50 H TYR 50 -5.089 4.156 7.842 402 HA TYR 50 HA TYR 50 -7.307 4.925 6.470 403 1HB TYR 50 2HB TYR 50 -6.066 3.049 4.709 404 2HB TYR 50 1HB TYR 50 -5.860 4.793 4.750 405 HD1 TYR 50 1HD TYR 50 -4.389 1.556 5.570 406 HD2 TYR 50 2HD TYR 50 -4.049 5.801 6.128 407 HE1 TYR 50 1HE TYR 50 -2.038 1.277 6.315 408 HE2 TYR 50 2HE TYR 50 -1.702 5.520 6.876 409 HH TYR 50 HH TYR 50 -0.346 2.379 7.514 410 H GLU 51 H GLU 51 -6.690 1.606 7.459 411 HA GLU 51 HA GLU 51 -8.783 0.435 5.862 412 1HB GLU 51 2HB GLU 51 -6.604 -0.242 7.554 413 2HB GLU 51 1HB GLU 51 -8.025 -1.058 8.173 414 1HG GLU 51 2HG GLU 51 -7.813 -1.147 5.250 415 2HG GLU 51 1HG GLU 51 -6.473 -1.944 6.073 416 H ALA 52 H ALA 52 -8.485 1.580 9.220 417 HA ALA 52 HA ALA 52 -11.037 0.611 10.136 418 1HB ALA 52 1HB ALA 52 -10.491 1.855 12.073 419 2HB ALA 52 2HB ALA 52 -9.601 3.065 11.148 420 3HB ALA 52 3HB ALA 52 -8.915 1.457 11.385 421 H GLN 53 H GLN 53 -10.202 3.159 8.004 422 HA GLN 53 HA GLN 53 -12.897 4.375 8.361 423 1HB GLN 53 2HB GLN 53 -10.284 5.671 7.528 424 2HB GLN 53 1HB GLN 53 -11.825 6.506 7.732 425 1HG GLN 53 2HG GLN 53 -11.863 5.825 10.117 426 2HG GLN 53 1HG GLN 53 -10.292 5.049 9.905 427 1HE2 GLN 53 1HE2 GLN 53 -8.817 6.408 10.959 428 2HE2 GLN 53 2HE2 GLN 53 -8.710 8.085 10.714 429 H MET 54 H MET 54 -12.289 2.165 6.591 430 HA MET 54 HA MET 54 -11.839 3.156 3.890 431 1HB MET 54 2HB MET 54 -12.620 0.598 5.250 432 2HB MET 54 1HB MET 54 -12.837 0.725 3.504 433 1HG MET 54 2HG MET 54 -10.228 1.463 4.835 434 2HG MET 54 1HG MET 54 -10.576 -0.190 4.328 435 1HE MET 54 1HE MET 54 -8.775 3.025 1.966 436 2HE MET 54 2HE MET 54 -8.680 2.516 3.651 437 3HE MET 54 3HE MET 54 -10.005 3.551 3.124 438 H GLU 55 H GLU 55 -14.609 2.836 5.976 439 HA GLU 55 HA GLU 55 -16.353 3.804 3.752 440 1HB GLU 55 2HB GLU 55 -18.038 2.132 4.409 441 2HB GLU 55 1HB GLU 55 -16.524 1.331 3.984 442 1HG GLU 55 2HG GLU 55 -15.918 1.235 6.386 443 2HG GLU 55 1HG GLU 55 -17.460 1.987 6.794 444 H ARG 56 H ARG 56 -18.614 4.378 4.830 445 HA ARG 56 HA ARG 56 -18.056 6.285 6.982 446 1HB ARG 56 2HB ARG 56 -19.537 6.903 5.187 447 2HB ARG 56 1HB ARG 56 -20.503 5.445 5.405 448 1HG ARG 56 2HG ARG 56 -21.733 7.219 6.446 449 2HG ARG 56 1HG ARG 56 -21.014 6.282 7.756 450 1HD ARG 56 2HD ARG 56 -20.027 8.179 8.501 451 2HD ARG 56 1HD ARG 56 -19.089 8.240 6.996 452 HE ARG 56 HE ARG 56 -21.473 9.817 7.573 453 1HH1 ARG 56 1HH1 ARG 56 -18.887 9.906 5.640 454 2HH1 ARG 56 2HH1 ARG 56 -19.713 10.219 4.150 455 1HH2 ARG 56 1HH2 ARG 56 -22.856 9.520 5.436 456 2HH2 ARG 56 2HH2 ARG 56 -21.960 10.002 4.036 Start of MODEL 9 1 1H ALA 2 1H ALA 2 9.285 -18.287 -18.633 2 2H ALA 2 2H ALA 2 10.356 -18.295 -19.951 3 3H ALA 2 3H ALA 2 9.098 -19.436 -19.867 4 HA ALA 2 HA ALA 2 8.905 -16.531 -20.426 5 1HB ALA 2 1HB ALA 2 7.516 -17.668 -22.305 6 2HB ALA 2 2HB ALA 2 8.257 -19.168 -21.747 7 3HB ALA 2 3HB ALA 2 9.269 -17.858 -22.354 8 H LYS 3 H LYS 3 7.165 -19.410 -19.282 9 HA LYS 3 HA LYS 3 4.682 -17.801 -18.926 10 1HB LYS 3 2HB LYS 3 5.408 -20.738 -18.833 11 2HB LYS 3 1HB LYS 3 3.817 -20.152 -18.348 12 1HG LYS 3 2HG LYS 3 4.998 -19.379 -21.010 13 2HG LYS 3 1HG LYS 3 4.132 -20.902 -20.813 14 1HD LYS 3 2HD LYS 3 2.769 -18.541 -19.671 15 2HD LYS 3 1HD LYS 3 2.920 -18.535 -21.429 16 1HE LYS 3 2HE LYS 3 1.238 -20.041 -21.582 17 2HE LYS 3 1HE LYS 3 2.155 -21.178 -20.573 18 1HZ LYS 3 1HZ LYS 3 0.383 -20.736 -19.208 19 2HZ LYS 3 2HZ LYS 3 0.196 -19.142 -19.765 20 3HZ LYS 3 3HZ LYS 3 1.458 -19.530 -18.696 21 H VAL 4 H VAL 4 4.926 -16.614 -17.018 22 HA VAL 4 HA VAL 4 5.603 -18.182 -14.548 23 HB VAL 4 HB VAL 4 6.162 -15.259 -15.140 24 1HG1 VAL 4 1HG1 VAL 4 7.560 -16.947 -13.088 25 2HG1 VAL 4 2HG1 VAL 4 5.961 -16.299 -12.719 26 3HG1 VAL 4 3HG1 VAL 4 7.289 -15.204 -13.103 27 1HG2 VAL 4 1HG2 VAL 4 7.548 -16.448 -16.652 28 2HG2 VAL 4 2HG2 VAL 4 7.832 -17.751 -15.499 29 3HG2 VAL 4 3HG2 VAL 4 8.580 -16.174 -15.248 30 H GLN 5 H GLN 5 3.236 -18.510 -14.310 31 HA GLN 5 HA GLN 5 1.656 -16.044 -13.746 32 1HB GLN 5 2HB GLN 5 0.922 -18.975 -14.050 33 2HB GLN 5 1HB GLN 5 -0.237 -17.665 -13.831 34 1HG GLN 5 2HG GLN 5 1.203 -16.682 -15.911 35 2HG GLN 5 1HG GLN 5 1.338 -18.412 -16.230 36 1HE2 GLN 5 1HE2 GLN 5 -0.622 -19.588 -16.760 37 2HE2 GLN 5 2HE2 GLN 5 -2.080 -18.790 -17.106 38 H ALA 6 H ALA 6 0.333 -16.030 -11.741 39 HA ALA 6 HA ALA 6 1.040 -17.906 -9.586 40 1HB ALA 6 1HB ALA 6 2.337 -16.420 -8.323 41 2HB ALA 6 2HB ALA 6 1.674 -15.002 -9.133 42 3HB ALA 6 3HB ALA 6 2.847 -16.023 -9.963 43 H TYR 7 H TYR 7 -1.071 -18.248 -8.930 44 HA TYR 7 HA TYR 7 -3.024 -16.041 -8.875 45 1HB TYR 7 2HB TYR 7 -2.941 -18.983 -8.746 46 2HB TYR 7 1HB TYR 7 -4.178 -18.262 -7.718 47 HD1 TYR 7 1HD TYR 7 -6.235 -17.684 -8.659 48 HD2 TYR 7 2HD TYR 7 -2.775 -17.978 -11.186 49 HE1 TYR 7 1HE TYR 7 -7.656 -17.282 -10.651 50 HE2 TYR 7 2HE TYR 7 -4.196 -17.573 -13.178 51 HH TYR 7 HH TYR 7 -7.603 -17.708 -13.061 52 H VAL 8 H VAL 8 -4.100 -15.365 -6.910 53 HA VAL 8 HA VAL 8 -4.074 -14.649 -4.656 54 HB VAL 8 HB VAL 8 -3.034 -17.486 -4.356 55 1HG1 VAL 8 1HG1 VAL 8 -4.449 -15.566 -2.491 56 2HG1 VAL 8 2HG1 VAL 8 -2.887 -16.349 -2.253 57 3HG1 VAL 8 3HG1 VAL 8 -4.370 -17.302 -2.191 58 1HG2 VAL 8 1HG2 VAL 8 -5.003 -17.669 -5.657 59 2HG2 VAL 8 2HG2 VAL 8 -5.789 -16.336 -4.812 60 3HG2 VAL 8 3HG2 VAL 8 -5.573 -17.889 -4.003 61 H SER 9 H SER 9 -2.320 -13.106 -4.866 62 HA SER 9 HA SER 9 0.250 -14.069 -3.662 63 1HB SER 9 2HB SER 9 0.755 -13.864 -5.956 64 2HB SER 9 1HB SER 9 -0.301 -12.467 -6.156 65 HG SER 9 HG SER 9 2.162 -12.595 -4.745 66 H ASP 10 H ASP 10 1.016 -12.708 -2.055 67 HA ASP 10 HA ASP 10 -0.632 -10.678 -0.927 68 1HB ASP 10 2HB ASP 10 1.384 -10.271 0.461 69 2HB ASP 10 1HB ASP 10 1.073 -11.998 0.272 70 H GLU 11 H GLU 11 -0.961 -9.482 -3.106 71 HA GLU 11 HA GLU 11 1.202 -7.913 -4.219 72 1HB GLU 11 2HB GLU 11 -1.512 -8.553 -4.735 73 2HB GLU 11 1HB GLU 11 -1.426 -6.795 -4.640 74 1HG GLU 11 2HG GLU 11 0.665 -7.033 -6.164 75 2HG GLU 11 1HG GLU 11 0.045 -8.650 -6.504 76 H ILE 12 H ILE 12 1.759 -7.264 -1.761 77 HA ILE 12 HA ILE 12 0.146 -5.071 -0.674 78 HB ILE 12 HB ILE 12 2.741 -6.463 -0.013 79 1HG1 ILE 12 2HG1 ILE 12 0.539 -7.508 0.548 80 2HG1 ILE 12 1HG1 ILE 12 1.501 -7.138 1.979 81 1HG2 ILE 12 1HG2 ILE 12 1.548 -4.066 1.418 82 2HG2 ILE 12 2HG2 ILE 12 3.064 -4.076 0.516 83 3HG2 ILE 12 3HG2 ILE 12 2.910 -5.028 1.993 84 1HD1 ILE 12 1HD1 ILE 12 -1.062 -5.973 1.078 85 2HD1 ILE 12 2HD1 ILE 12 0.121 -4.802 1.662 86 3HD1 ILE 12 3HD1 ILE 12 -0.402 -6.122 2.708 87 H VAL 13 H VAL 13 3.305 -5.395 -2.312 88 HA VAL 13 HA VAL 13 4.309 -2.810 -2.173 89 HB VAL 13 HB VAL 13 4.168 -4.779 -4.472 90 1HG1 VAL 13 1HG1 VAL 13 5.244 -3.313 -5.798 91 2HG1 VAL 13 2HG1 VAL 13 6.447 -3.006 -4.546 92 3HG1 VAL 13 3HG1 VAL 13 4.954 -2.068 -4.584 93 1HG2 VAL 13 1HG2 VAL 13 5.998 -5.766 -3.528 94 2HG2 VAL 13 2HG2 VAL 13 5.420 -4.990 -2.052 95 3HG2 VAL 13 3HG2 VAL 13 6.683 -4.223 -3.016 96 H TYR 14 H TYR 14 1.916 -3.992 -4.568 97 HA TYR 14 HA TYR 14 1.520 -1.505 -5.910 98 1HB TYR 14 2HB TYR 14 0.824 -3.866 -6.569 99 2HB TYR 14 1HB TYR 14 -0.514 -3.701 -5.431 100 HD1 TYR 14 1HD TYR 14 -2.475 -2.501 -6.010 101 HD2 TYR 14 2HD TYR 14 1.044 -2.164 -8.449 102 HE1 TYR 14 1HE TYR 14 -3.778 -1.262 -7.718 103 HE2 TYR 14 2HE TYR 14 -0.260 -0.926 -10.158 104 HH TYR 14 HH TYR 14 -2.872 -0.868 -10.790 105 H LYS 15 H LYS 15 -0.308 -2.999 -3.212 106 HA LYS 15 HA LYS 15 -2.222 -0.916 -2.874 107 1HB LYS 15 2HB LYS 15 -1.255 -3.301 -1.534 108 2HB LYS 15 1HB LYS 15 -1.645 -2.044 -0.359 109 1HG LYS 15 2HG LYS 15 -3.502 -2.890 -2.598 110 2HG LYS 15 1HG LYS 15 -3.598 -3.521 -0.953 111 1HD LYS 15 2HD LYS 15 -3.747 -0.573 -1.645 112 2HD LYS 15 1HD LYS 15 -5.158 -1.597 -1.381 113 1HE LYS 15 2HE LYS 15 -3.620 -2.150 0.849 114 2HE LYS 15 1HE LYS 15 -3.328 -0.417 0.593 115 1HZ LYS 15 1HZ LYS 15 -6.001 -1.718 0.597 116 2HZ LYS 15 2HZ LYS 15 -5.695 -0.058 0.398 117 3HZ LYS 15 3HZ LYS 15 -5.362 -0.815 1.883 118 H ILE 16 H ILE 16 0.954 -1.415 -1.294 119 HA ILE 16 HA ILE 16 0.851 0.922 0.366 120 HB ILE 16 HB ILE 16 3.178 -0.603 -0.853 121 1HG1 ILE 16 2HG1 ILE 16 1.597 -0.932 1.714 122 2HG1 ILE 16 1HG1 ILE 16 1.770 -2.105 0.407 123 1HG2 ILE 16 1HG2 ILE 16 4.561 0.388 0.801 124 2HG2 ILE 16 2HG2 ILE 16 3.177 0.993 1.711 125 3HG2 ILE 16 3HG2 ILE 16 3.606 1.727 0.167 126 1HD1 ILE 16 1HD1 ILE 16 3.270 -2.776 2.171 127 2HD1 ILE 16 2HD1 ILE 16 3.928 -1.146 2.304 128 3HD1 ILE 16 3HD1 ILE 16 4.258 -2.114 0.868 129 H ASN 17 H ASN 17 2.595 0.384 -2.727 130 HA ASN 17 HA ASN 17 3.617 2.920 -3.199 131 1HB ASN 17 2HB ASN 17 2.834 0.567 -4.694 132 2HB ASN 17 1HB ASN 17 2.524 2.021 -5.644 133 1HD2 ASN 17 1HD2 ASN 17 4.657 3.661 -4.625 134 2HD2 ASN 17 2HD2 ASN 17 6.131 2.984 -5.126 135 H LYS 18 H LYS 18 0.305 1.813 -4.009 136 HA LYS 18 HA LYS 18 -0.778 4.046 -5.231 137 1HB LYS 18 2HB LYS 18 -1.792 2.070 -3.200 138 2HB LYS 18 1HB LYS 18 -2.857 3.353 -3.777 139 1HG LYS 18 2HG LYS 18 -2.475 2.642 -6.102 140 2HG LYS 18 1HG LYS 18 -1.392 1.367 -5.540 141 1HD LYS 18 2HD LYS 18 -3.614 0.431 -5.962 142 2HD LYS 18 1HD LYS 18 -3.267 0.385 -4.234 143 1HE LYS 18 2HE LYS 18 -4.454 2.917 -4.743 144 2HE LYS 18 1HE LYS 18 -5.452 1.700 -5.566 145 1HZ LYS 18 1HZ LYS 18 -5.685 0.463 -3.613 146 2HZ LYS 18 2HZ LYS 18 -5.893 2.070 -3.101 147 3HZ LYS 18 3HZ LYS 18 -4.418 1.272 -2.828 148 H ILE 19 H ILE 19 -0.319 3.592 -1.715 149 HA ILE 19 HA ILE 19 -1.388 6.205 -1.018 150 HB ILE 19 HB ILE 19 0.234 4.063 0.373 151 1HG1 ILE 19 2HG1 ILE 19 -2.310 4.729 1.546 152 2HG1 ILE 19 1HG1 ILE 19 -2.524 4.458 -0.183 153 1HG2 ILE 19 1HG2 ILE 19 0.803 6.313 1.298 154 2HG2 ILE 19 2HG2 ILE 19 -0.060 5.303 2.458 155 3HG2 ILE 19 3HG2 ILE 19 -0.913 6.589 1.603 156 1HD1 ILE 19 1HD1 ILE 19 -0.771 2.434 0.621 157 2HD1 ILE 19 2HD1 ILE 19 -2.489 2.248 0.267 158 3HD1 ILE 19 3HD1 ILE 19 -1.956 2.530 1.924 159 H VAL 20 H VAL 20 1.848 4.878 -1.630 160 HA VAL 20 HA VAL 20 3.315 7.209 -0.747 161 HB VAL 20 HB VAL 20 4.176 5.200 -2.836 162 1HG1 VAL 20 1HG1 VAL 20 5.835 6.857 -2.409 163 2HG1 VAL 20 2HG1 VAL 20 6.326 5.450 -1.465 164 3HG1 VAL 20 3HG1 VAL 20 5.537 6.813 -0.671 165 1HG2 VAL 20 1HG2 VAL 20 3.321 4.728 -0.066 166 2HG2 VAL 20 2HG2 VAL 20 4.957 4.159 -0.394 167 3HG2 VAL 20 3HG2 VAL 20 3.608 3.570 -1.364 168 H GLU 21 H GLU 21 2.424 6.018 -4.013 169 HA GLU 21 HA GLU 21 3.478 8.130 -5.546 170 1HB GLU 21 2HB GLU 21 1.745 7.423 -7.183 171 2HB GLU 21 1HB GLU 21 2.524 6.034 -6.424 172 1HG GLU 21 2HG GLU 21 0.619 5.394 -5.354 173 2HG GLU 21 1HG GLU 21 0.151 7.055 -4.989 174 H ARG 22 H ARG 22 0.681 8.087 -3.447 175 HA ARG 22 HA ARG 22 -0.709 10.363 -4.546 176 1HB ARG 22 2HB ARG 22 -1.454 8.514 -2.893 177 2HB ARG 22 1HB ARG 22 -0.664 9.489 -1.653 178 1HG ARG 22 2HG ARG 22 -2.532 10.735 -1.521 179 2HG ARG 22 1HG ARG 22 -2.219 11.290 -3.167 180 1HD ARG 22 2HD ARG 22 -3.549 9.507 -4.107 181 2HD ARG 22 1HD ARG 22 -3.695 8.714 -2.526 182 HE ARG 22 HE ARG 22 -4.703 11.151 -1.937 183 1HH1 ARG 22 1HH2 ARG 22 -5.366 8.760 -4.308 184 2HH1 ARG 22 2HH2 ARG 22 -6.889 9.441 -4.771 185 1HH2 ARG 22 1HH1 ARG 22 -6.599 12.187 -2.673 186 2HH2 ARG 22 2HH1 ARG 22 -7.588 11.380 -3.843 187 H ARG 23 H ARG 23 1.349 10.120 -1.608 188 HA ARG 23 HA ARG 23 1.517 12.795 -0.892 189 1HB ARG 23 2HB ARG 23 2.935 10.367 -0.465 190 2HB ARG 23 1HB ARG 23 4.143 11.603 -0.821 191 1HG ARG 23 2HG ARG 23 3.852 12.557 1.196 192 2HG ARG 23 1HG ARG 23 2.109 12.666 0.943 193 1HD ARG 23 2HD ARG 23 2.359 9.992 1.410 194 2HD ARG 23 1HD ARG 23 3.663 10.629 2.432 195 HE ARG 23 HE ARG 23 1.949 12.173 3.436 196 1HH1 ARG 23 1HH1 ARG 23 -0.204 11.680 1.390 197 2HH1 ARG 23 2HH1 ARG 23 -1.254 10.591 2.233 198 1HH2 ARG 23 1HH2 ARG 23 1.094 9.782 4.653 199 2HH2 ARG 23 2HH2 ARG 23 -0.520 9.517 4.081 200 H ARG 24 H ARG 24 3.768 11.181 -3.179 201 HA ARG 24 HA ARG 24 4.974 13.659 -4.056 202 1HB ARG 24 2HB ARG 24 6.065 12.201 -5.667 203 2HB ARG 24 1HB ARG 24 5.940 11.320 -4.143 204 1HG ARG 24 2HG ARG 24 3.753 10.351 -5.039 205 2HG ARG 24 1HG ARG 24 4.216 11.010 -6.607 206 1HD ARG 24 2HD ARG 24 5.780 8.986 -4.965 207 2HD ARG 24 1HD ARG 24 4.995 8.712 -6.533 208 HE ARG 24 HE ARG 24 7.506 10.174 -6.106 209 1HH1 ARG 24 1HH1 ARG 24 5.855 8.426 -8.338 210 2HH1 ARG 24 2HH1 ARG 24 6.141 9.475 -9.686 211 1HH2 ARG 24 1HH2 ARG 24 7.415 12.053 -7.748 212 2HH2 ARG 24 2HH2 ARG 24 7.023 11.529 -9.351 213 H ALA 25 H ALA 25 2.361 11.591 -5.322 214 HA ALA 25 HA ALA 25 1.862 12.672 -7.826 215 1HB ALA 25 1HB ALA 25 -0.651 12.446 -6.839 216 2HB ALA 25 2HB ALA 25 0.237 11.606 -5.568 217 3HB ALA 25 3HB ALA 25 0.339 11.042 -7.236 218 H GLU 26 H GLU 26 0.926 14.056 -4.674 219 HA GLU 26 HA GLU 26 -0.309 16.414 -5.814 220 1HB GLU 26 2HB GLU 26 0.454 15.324 -3.148 221 2HB GLU 26 1HB GLU 26 0.208 17.068 -3.251 222 1HG GLU 26 2HG GLU 26 -1.958 16.231 -4.632 223 2HG GLU 26 1HG GLU 26 -1.758 14.858 -3.542 224 H GLY 27 H GLY 27 2.937 15.540 -4.737 225 1HA GLY 27 2HA GLY 27 4.939 16.655 -5.420 226 2HA GLY 27 1HA GLY 27 3.969 18.030 -5.946 227 H ALA 28 H ALA 28 3.133 16.866 -2.838 228 HA ALA 28 HA ALA 28 4.589 19.181 -1.617 229 1HB ALA 28 1HB ALA 28 2.064 19.125 -1.660 230 2HB ALA 28 2HB ALA 28 2.744 19.229 -0.036 231 3HB ALA 28 3HB ALA 28 2.137 17.687 -0.642 232 H LYS 29 H LYS 29 5.809 16.583 -2.042 233 HA LYS 29 HA LYS 29 7.218 16.113 0.308 234 1HB LYS 29 2HB LYS 29 4.452 15.222 0.428 235 2HB LYS 29 1HB LYS 29 5.557 13.869 0.674 236 1HG LYS 29 2HG LYS 29 6.511 16.173 2.123 237 2HG LYS 29 1HG LYS 29 4.833 15.848 2.559 238 1HD LYS 29 2HD LYS 29 6.205 13.346 2.396 239 2HD LYS 29 1HD LYS 29 7.170 14.435 3.393 240 1HE LYS 29 2HE LYS 29 4.187 14.188 3.819 241 2HE LYS 29 1HE LYS 29 5.326 13.072 4.602 242 1HZ LYS 29 1HZ LYS 29 5.208 14.839 6.088 243 2HZ LYS 29 2HZ LYS 29 5.150 16.010 4.859 244 3HZ LYS 29 3HZ LYS 29 6.603 15.196 5.193 245 H SER 30 H SER 30 7.353 15.789 -2.649 246 HA SER 30 HA SER 30 7.683 12.885 -3.029 247 1HB SER 30 2HB SER 30 8.147 13.593 -5.368 248 2HB SER 30 1HB SER 30 6.652 14.302 -4.766 249 HG SER 30 HG SER 30 8.344 15.696 -5.852 250 H THR 31 H THR 31 9.404 14.773 -1.335 251 HA THR 31 HA THR 31 12.074 14.127 -2.525 252 HB THR 31 HB THR 31 12.866 15.936 -1.057 253 HG1 THR 31 1HG THR 31 11.734 16.429 0.618 254 1HG2 THR 31 1HG2 THR 31 12.141 17.550 -2.472 255 2HG2 THR 31 2HG2 THR 31 10.449 17.269 -2.064 256 3HG2 THR 31 3HG2 THR 31 11.248 16.249 -3.261 257 H ASP 32 H ASP 32 10.042 13.875 0.348 258 HA ASP 32 HA ASP 32 12.076 12.172 1.712 259 1HB ASP 32 2HB ASP 32 10.541 14.283 2.528 260 2HB ASP 32 1HB ASP 32 9.529 12.926 3.023 261 H VAL 33 H VAL 33 8.585 12.214 0.911 262 HA VAL 33 HA VAL 33 7.762 9.731 1.826 263 HB VAL 33 HB VAL 33 6.520 11.581 0.556 264 1HG1 VAL 33 1HG1 VAL 33 7.074 9.963 -1.909 265 2HG1 VAL 33 2HG1 VAL 33 8.233 11.203 -1.426 266 3HG1 VAL 33 3HG1 VAL 33 6.560 11.646 -1.767 267 1HG2 VAL 33 1HG2 VAL 33 4.995 9.806 -0.586 268 2HG2 VAL 33 2HG2 VAL 33 5.220 9.709 1.161 269 3HG2 VAL 33 3HG2 VAL 33 6.117 8.628 0.095 270 H SER 34 H SER 34 7.814 7.592 0.996 271 HA SER 34 HA SER 34 9.037 6.857 -1.511 272 1HB SER 34 2HB SER 34 10.910 7.798 0.060 273 2HB SER 34 1HB SER 34 10.749 6.257 0.896 274 HG SER 34 HG SER 34 12.016 5.554 -0.626 275 H PHE 35 H PHE 35 8.769 4.614 -1.873 276 HA PHE 35 HA PHE 35 6.792 3.148 -0.630 277 1HB PHE 35 2HB PHE 35 8.091 2.605 -2.709 278 2HB PHE 35 1HB PHE 35 9.416 2.048 -1.687 279 HD1 PHE 35 1HD PHE 35 9.073 0.101 -0.147 280 HD2 PHE 35 2HD PHE 35 6.134 1.268 -3.054 281 HE1 PHE 35 1HE PHE 35 7.971 -2.109 0.080 282 HE2 PHE 35 2HE PHE 35 5.032 -0.942 -2.827 283 HZ PHE 35 HZ PHE 35 5.951 -2.631 -1.260 284 H SER 36 H SER 36 10.280 2.788 0.148 285 HA SER 36 HA SER 36 10.004 1.031 2.344 286 1HB SER 36 2HB SER 36 11.976 3.177 1.561 287 2HB SER 36 1HB SER 36 12.219 2.211 3.013 288 HG SER 36 HG SER 36 13.104 0.893 1.611 289 H SER 37 H SER 37 9.519 4.518 2.159 290 HA SER 37 HA SER 37 9.469 4.908 5.058 291 1HB SER 37 2HB SER 37 8.411 6.686 2.848 292 2HB SER 37 1HB SER 37 8.966 7.181 4.444 293 HG SER 37 HG SER 37 10.540 7.487 2.777 294 H ILE 38 H ILE 38 7.014 4.725 2.458 295 HA ILE 38 HA ILE 38 4.757 5.137 4.220 296 HB ILE 38 HB ILE 38 5.122 3.962 1.452 297 1HG1 ILE 38 2HG1 ILE 38 5.682 6.357 1.722 298 2HG1 ILE 38 1HG1 ILE 38 4.226 6.153 0.748 299 1HG2 ILE 38 1HG2 ILE 38 3.005 3.203 1.627 300 2HG2 ILE 38 2HG2 ILE 38 2.491 4.886 1.737 301 3HG2 ILE 38 3HG2 ILE 38 2.803 3.961 3.205 302 1HD1 ILE 38 1HD1 ILE 38 4.533 7.579 3.225 303 2HD1 ILE 38 2HD1 ILE 38 3.387 6.259 3.457 304 3HD1 ILE 38 3HD1 ILE 38 3.107 7.459 2.194 305 H SER 39 H SER 39 6.233 2.204 2.791 306 HA SER 39 HA SER 39 4.360 0.335 3.894 307 1HB SER 39 2HB SER 39 5.691 -0.472 2.158 308 2HB SER 39 1HB SER 39 7.145 0.303 2.779 309 HG SER 39 HG SER 39 5.836 -2.035 3.682 310 H THR 40 H THR 40 7.548 1.452 5.076 311 HA THR 40 HA THR 40 7.856 -0.161 7.335 312 HB THR 40 HB THR 40 8.482 2.742 6.771 313 HG1 THR 40 1HG THR 40 10.167 1.884 5.887 314 1HG2 THR 40 1HG2 THR 40 8.659 2.882 9.055 315 2HG2 THR 40 2HG2 THR 40 10.224 2.136 8.724 316 3HG2 THR 40 3HG2 THR 40 8.867 1.141 9.250 317 H MET 41 H MET 41 6.227 3.048 7.307 318 HA MET 41 HA MET 41 5.279 2.802 10.024 319 1HB MET 41 2HB MET 41 4.196 4.875 9.537 320 2HB MET 41 1HB MET 41 5.680 4.883 8.585 321 1HG MET 41 2HG MET 41 4.274 5.414 6.870 322 2HG MET 41 1HG MET 41 3.969 3.678 6.844 323 1HE MET 41 1HE MET 41 1.471 3.721 5.885 324 2HE MET 41 2HE MET 41 2.106 5.323 5.515 325 3HE MET 41 3HE MET 41 0.484 5.158 6.183 326 H LEU 42 H LEU 42 3.976 1.818 6.909 327 HA LEU 42 HA LEU 42 1.225 1.516 7.699 328 1HB LEU 42 2HB LEU 42 2.790 1.261 5.412 329 2HB LEU 42 1HB LEU 42 2.235 -0.384 5.714 330 HG LEU 42 HG LEU 42 0.373 2.000 5.714 331 1HD1 LEU 42 1HD1 LEU 42 1.582 0.510 3.486 332 2HD1 LEU 42 2HD1 LEU 42 0.736 2.056 3.475 333 3HD1 LEU 42 3HD1 LEU 42 -0.180 0.550 3.435 334 1HD2 LEU 42 1HD2 LEU 42 -0.124 -0.327 6.830 335 2HD2 LEU 42 2HD2 LEU 42 -0.335 -0.872 5.165 336 3HD2 LEU 42 3HD2 LEU 42 -1.352 0.418 5.807 337 H LEU 43 H LEU 43 3.913 -0.853 7.518 338 HA LEU 43 HA LEU 43 2.375 -3.061 8.541 339 1HB LEU 43 2HB LEU 43 4.370 -3.461 7.286 340 2HB LEU 43 1HB LEU 43 5.323 -2.409 8.338 341 HG LEU 43 HG LEU 43 4.033 -4.418 9.935 342 1HD1 LEU 43 1HD1 LEU 43 5.683 -6.228 8.792 343 2HD1 LEU 43 2HD1 LEU 43 5.215 -5.319 7.357 344 3HD1 LEU 43 3HD1 LEU 43 3.981 -6.085 8.357 345 1HD2 LEU 43 1HD2 LEU 43 6.481 -4.967 10.407 346 2HD2 LEU 43 2HD2 LEU 43 6.019 -3.286 10.674 347 3HD2 LEU 43 3HD2 LEU 43 6.896 -3.737 9.214 348 H GLU 44 H GLU 44 4.602 -0.745 10.115 349 HA GLU 44 HA GLU 44 4.590 -1.873 12.722 350 1HB GLU 44 2HB GLU 44 4.801 0.955 11.648 351 2HB GLU 44 1HB GLU 44 5.061 0.568 13.349 352 1HG GLU 44 2HG GLU 44 6.724 -1.223 12.445 353 2HG GLU 44 1HG GLU 44 6.681 -0.277 10.957 354 H LEU 45 H LEU 45 2.235 0.029 10.985 355 HA LEU 45 HA LEU 45 0.523 0.298 13.405 356 1HB LEU 45 2HB LEU 45 0.414 2.347 12.409 357 2HB LEU 45 1HB LEU 45 1.042 1.727 10.887 358 HG LEU 45 HG LEU 45 -1.256 0.763 10.442 359 1HD1 LEU 45 1HD1 LEU 45 -3.064 1.253 11.823 360 2HD1 LEU 45 2HD1 LEU 45 -2.291 2.689 12.496 361 3HD1 LEU 45 3HD1 LEU 45 -1.780 1.084 13.020 362 1HD2 LEU 45 1HD2 LEU 45 -2.261 3.181 10.142 363 2HD2 LEU 45 2HD2 LEU 45 -0.835 2.706 9.220 364 3HD2 LEU 45 3HD2 LEU 45 -0.661 3.698 10.668 365 H GLY 46 H GLY 46 1.046 -1.879 10.908 366 1HA GLY 46 2HA GLY 46 -0.272 -3.563 9.928 367 2HA GLY 46 1HA GLY 46 -1.174 -3.520 11.446 368 H LEU 47 H LEU 47 -0.825 -0.944 9.037 369 HA LEU 47 HA LEU 47 -2.547 0.440 8.144 370 1HB LEU 47 2HB LEU 47 -3.621 -0.788 6.395 371 2HB LEU 47 1HB LEU 47 -2.068 -1.576 6.655 372 HG LEU 47 HG LEU 47 -4.282 -2.631 8.311 373 1HD1 LEU 47 1HD1 LEU 47 -5.452 -2.168 6.176 374 2HD1 LEU 47 2HD1 LEU 47 -5.277 -3.899 6.465 375 3HD1 LEU 47 3HD1 LEU 47 -4.216 -3.084 5.314 376 1HD2 LEU 47 1HD2 LEU 47 -2.524 -4.190 6.445 377 2HD2 LEU 47 2HD2 LEU 47 -3.110 -4.629 8.050 378 3HD2 LEU 47 3HD2 LEU 47 -1.807 -3.451 7.878 379 H ARG 48 H ARG 48 -3.137 -0.470 10.925 380 HA ARG 48 HA ARG 48 -5.938 -1.235 11.054 381 1HB ARG 48 2HB ARG 48 -3.686 -0.588 12.826 382 2HB ARG 48 1HB ARG 48 -5.248 -0.086 13.474 383 1HG ARG 48 2HG ARG 48 -5.544 -2.227 14.121 384 2HG ARG 48 1HG ARG 48 -5.730 -2.624 12.412 385 1HD ARG 48 2HD ARG 48 -3.647 -3.568 12.278 386 2HD ARG 48 1HD ARG 48 -2.926 -2.358 13.358 387 HE ARG 48 HE ARG 48 -4.807 -4.335 14.539 388 1HH1 ARG 48 1HH2 ARG 48 -1.623 -4.376 13.596 389 2HH1 ARG 48 2HH2 ARG 48 -0.957 -4.627 15.176 390 1HH2 ARG 48 1HH1 ARG 48 -3.963 -4.094 16.819 391 2HH2 ARG 48 2HH1 ARG 48 -2.282 -4.467 17.000 392 H VAL 49 H VAL 49 -4.826 1.606 12.798 393 HA VAL 49 HA VAL 49 -7.138 3.142 12.533 394 HB VAL 49 HB VAL 49 -5.013 3.501 13.917 395 1HG1 VAL 49 1HG1 VAL 49 -3.112 4.329 12.960 396 2HG1 VAL 49 2HG1 VAL 49 -4.005 5.320 11.806 397 3HG1 VAL 49 3HG1 VAL 49 -3.773 3.600 11.496 398 1HG2 VAL 49 1HG2 VAL 49 -5.240 6.155 13.348 399 2HG2 VAL 49 2HG2 VAL 49 -6.417 5.264 14.313 400 3HG2 VAL 49 3HG2 VAL 49 -6.712 5.541 12.597 401 H TYR 50 H TYR 50 -4.655 2.552 10.145 402 HA TYR 50 HA TYR 50 -5.016 4.756 8.397 403 1HB TYR 50 2HB TYR 50 -3.220 3.163 8.144 404 2HB TYR 50 1HB TYR 50 -4.358 1.831 7.956 405 HD1 TYR 50 1HD TYR 50 -5.513 1.441 5.864 406 HD2 TYR 50 2HD TYR 50 -2.938 4.846 6.351 407 HE1 TYR 50 1HE TYR 50 -5.569 1.833 3.417 408 HE2 TYR 50 2HE TYR 50 -2.994 5.237 3.902 409 HH TYR 50 HH TYR 50 -4.932 3.151 1.752 410 H GLU 51 H GLU 51 -6.606 1.532 8.233 411 HA GLU 51 HA GLU 51 -8.438 2.276 6.161 412 1HB GLU 51 2HB GLU 51 -7.526 0.014 7.389 413 2HB GLU 51 1HB GLU 51 -9.141 0.142 8.078 414 1HG GLU 51 2HG GLU 51 -9.209 0.713 5.247 415 2HG GLU 51 1HG GLU 51 -8.455 -0.854 5.538 416 H ALA 52 H ALA 52 -8.324 3.059 9.482 417 HA ALA 52 HA ALA 52 -11.210 3.164 9.961 418 1HB ALA 52 1HB ALA 52 -8.886 4.434 11.443 419 2HB ALA 52 2HB ALA 52 -9.419 2.770 11.677 420 3HB ALA 52 3HB ALA 52 -10.493 4.105 12.092 421 H GLN 53 H GLN 53 -8.673 5.698 9.725 422 HA GLN 53 HA GLN 53 -10.344 7.956 9.714 423 1HB GLN 53 2HB GLN 53 -8.424 9.072 8.826 424 2HB GLN 53 1HB GLN 53 -7.787 7.718 9.759 425 1HG GLN 53 2HG GLN 53 -7.597 6.380 7.698 426 2HG GLN 53 1HG GLN 53 -8.233 7.731 6.759 427 1HE2 GLN 53 1HE2 GLN 53 -5.817 7.702 9.435 428 2HE2 GLN 53 2HE2 GLN 53 -4.590 8.447 8.531 429 H MET 54 H MET 54 -9.886 5.564 7.220 430 HA MET 54 HA MET 54 -11.001 7.275 5.086 431 1HB MET 54 2HB MET 54 -10.133 4.376 5.296 432 2HB MET 54 1HB MET 54 -10.718 5.109 3.802 433 1HG MET 54 2HG MET 54 -8.339 6.082 5.412 434 2HG MET 54 1HG MET 54 -8.246 5.150 3.919 435 1HE MET 54 1HE MET 54 -10.690 6.841 1.930 436 2HE MET 54 2HE MET 54 -9.461 5.583 2.020 437 3HE MET 54 3HE MET 54 -9.125 7.073 1.141 438 H GLU 55 H GLU 55 -11.955 4.255 6.773 439 HA GLU 55 HA GLU 55 -14.804 4.912 6.092 440 1HB GLU 55 2HB GLU 55 -13.165 2.402 5.914 441 2HB GLU 55 1HB GLU 55 -14.900 2.269 6.203 442 1HG GLU 55 2HG GLU 55 -14.632 4.181 4.156 443 2HG GLU 55 1HG GLU 55 -13.507 2.887 3.739 444 H ARG 56 H ARG 56 -16.354 3.827 7.658 445 HA ARG 56 HA ARG 56 -15.332 2.966 10.261 446 1HB ARG 56 2HB ARG 56 -16.143 4.938 11.477 447 2HB ARG 56 1HB ARG 56 -14.978 5.437 10.250 448 1HG ARG 56 2HG ARG 56 -17.148 5.652 8.743 449 2HG ARG 56 1HG ARG 56 -17.948 5.819 10.307 450 1HD ARG 56 2HD ARG 56 -15.809 7.495 10.649 451 2HD ARG 56 1HD ARG 56 -16.147 7.708 8.919 452 HE ARG 56 HE ARG 56 -18.562 8.101 9.611 453 1HH1 ARG 56 1HH1 ARG 56 -16.334 10.119 10.628 454 2HH1 ARG 56 2HH1 ARG 56 -17.008 10.506 12.175 455 1HH2 ARG 56 1HH2 ARG 56 -19.286 7.891 12.131 456 2HH2 ARG 56 2HH2 ARG 56 -18.681 9.245 13.027 Start of MODEL 10 1 1H ALA 2 1H ALA 2 -6.715 -19.519 -11.097 2 2H ALA 2 2H ALA 2 -6.864 -18.705 -9.612 3 3H ALA 2 3H ALA 2 -7.636 -20.200 -9.846 4 HA ALA 2 HA ALA 2 -5.541 -20.302 -8.482 5 1HB ALA 2 1HB ALA 2 -5.259 -22.452 -9.312 6 2HB ALA 2 2HB ALA 2 -5.288 -21.915 -10.992 7 3HB ALA 2 3HB ALA 2 -6.792 -22.034 -10.079 8 H LYS 3 H LYS 3 -5.290 -18.092 -10.731 9 HA LYS 3 HA LYS 3 -2.468 -18.631 -11.541 10 1HB LYS 3 2HB LYS 3 -4.770 -17.527 -12.763 11 2HB LYS 3 1HB LYS 3 -3.638 -16.191 -12.556 12 1HG LYS 3 2HG LYS 3 -1.894 -17.406 -13.713 13 2HG LYS 3 1HG LYS 3 -2.890 -18.860 -13.779 14 1HD LYS 3 2HD LYS 3 -3.581 -18.126 -15.800 15 2HD LYS 3 1HD LYS 3 -4.515 -16.917 -14.918 16 1HE LYS 3 2HE LYS 3 -3.278 -15.398 -16.099 17 2HE LYS 3 1HE LYS 3 -1.977 -15.802 -14.961 18 1HZ LYS 3 1HZ LYS 3 -1.762 -17.857 -16.575 19 2HZ LYS 3 2HZ LYS 3 -0.962 -16.391 -16.897 20 3HZ LYS 3 3HZ LYS 3 -2.416 -16.761 -17.692 21 H VAL 4 H VAL 4 -2.293 -18.161 -8.962 22 HA VAL 4 HA VAL 4 -1.733 -15.225 -8.666 23 HB VAL 4 HB VAL 4 -2.426 -17.216 -6.490 24 1HG1 VAL 4 1HG1 VAL 4 -1.510 -15.326 -5.467 25 2HG1 VAL 4 2HG1 VAL 4 -3.227 -14.919 -5.497 26 3HG1 VAL 4 3HG1 VAL 4 -2.135 -14.232 -6.701 27 1HG2 VAL 4 1HG2 VAL 4 -4.285 -17.148 -8.082 28 2HG2 VAL 4 2HG2 VAL 4 -4.250 -15.384 -8.083 29 3HG2 VAL 4 3HG2 VAL 4 -4.728 -16.256 -6.626 30 H GLN 5 H GLN 5 -0.720 -18.518 -7.737 31 HA GLN 5 HA GLN 5 1.371 -19.301 -6.937 32 1HB GLN 5 2HB GLN 5 2.310 -17.105 -8.807 33 2HB GLN 5 1HB GLN 5 3.158 -18.603 -8.418 34 1HG GLN 5 2HG GLN 5 0.672 -19.482 -9.295 35 2HG GLN 5 1HG GLN 5 1.031 -18.132 -10.369 36 1HE2 GLN 5 1HE2 GLN 5 1.479 -19.563 -12.197 37 2HE2 GLN 5 2HE2 GLN 5 2.882 -20.515 -12.248 38 H ALA 6 H ALA 6 3.773 -18.070 -6.432 39 HA ALA 6 HA ALA 6 4.899 -16.651 -4.908 40 1HB ALA 6 1HB ALA 6 3.376 -15.047 -6.334 41 2HB ALA 6 2HB ALA 6 4.115 -14.443 -4.850 42 3HB ALA 6 3HB ALA 6 2.424 -14.943 -4.853 43 H TYR 7 H TYR 7 4.733 -18.270 -3.215 44 HA TYR 7 HA TYR 7 2.529 -18.803 -1.551 45 1HB TYR 7 2HB TYR 7 5.520 -18.714 -1.099 46 2HB TYR 7 1HB TYR 7 4.409 -19.315 0.130 47 HD1 TYR 7 1HD TYR 7 5.738 -19.877 -3.277 48 HD2 TYR 7 2HD TYR 7 3.250 -21.419 -0.134 49 HE1 TYR 7 1HE TYR 7 5.645 -22.072 -4.427 50 HE2 TYR 7 2HE TYR 7 3.156 -23.614 -1.285 51 HH TYR 7 HH TYR 7 3.493 -24.608 -3.373 52 H VAL 8 H VAL 8 1.312 -17.072 -0.765 53 HA VAL 8 HA VAL 8 0.812 -15.111 0.465 54 HB VAL 8 HB VAL 8 3.237 -16.242 1.896 55 1HG1 VAL 8 1HG1 VAL 8 1.956 -13.756 2.287 56 2HG1 VAL 8 2HG1 VAL 8 3.097 -14.548 3.373 57 3HG1 VAL 8 3HG1 VAL 8 1.364 -14.812 3.571 58 1HG2 VAL 8 1HG2 VAL 8 1.080 -17.632 1.568 59 2HG2 VAL 8 2HG2 VAL 8 0.327 -16.479 2.670 60 3HG2 VAL 8 3HG2 VAL 8 1.687 -17.460 3.216 61 H SER 9 H SER 9 1.527 -13.806 -1.473 62 HA SER 9 HA SER 9 4.242 -12.680 -1.440 63 1HB SER 9 2HB SER 9 3.476 -12.837 -3.603 64 2HB SER 9 1HB SER 9 1.792 -12.645 -3.125 65 HG SER 9 HG SER 9 2.595 -10.818 -4.253 66 H ASP 10 H ASP 10 4.739 -10.499 -0.919 67 HA ASP 10 HA ASP 10 3.295 -9.270 1.206 68 1HB ASP 10 2HB ASP 10 5.379 -8.321 -0.774 69 2HB ASP 10 1HB ASP 10 4.837 -7.330 0.581 70 H GLU 11 H GLU 11 1.073 -9.304 0.166 71 HA GLU 11 HA GLU 11 0.364 -7.780 -2.127 72 1HB GLU 11 2HB GLU 11 -1.069 -9.421 -0.972 73 2HB GLU 11 1HB GLU 11 -1.159 -8.362 0.436 74 1HG GLU 11 2HG GLU 11 -1.922 -7.213 -2.214 75 2HG GLU 11 1HG GLU 11 -3.051 -8.332 -1.450 76 H ILE 12 H ILE 12 1.475 -6.729 0.950 77 HA ILE 12 HA ILE 12 0.081 -4.198 1.114 78 HB ILE 12 HB ILE 12 2.600 -5.386 2.292 79 1HG1 ILE 12 2HG1 ILE 12 0.269 -6.162 2.969 80 2HG1 ILE 12 1HG1 ILE 12 1.275 -5.561 4.288 81 1HG2 ILE 12 1HG2 ILE 12 2.210 -3.299 3.903 82 2HG2 ILE 12 2HG2 ILE 12 1.545 -2.591 2.432 83 3HG2 ILE 12 3HG2 ILE 12 3.214 -3.161 2.459 84 1HD1 ILE 12 1HD1 ILE 12 -0.420 -3.569 2.860 85 2HD1 ILE 12 2HD1 ILE 12 0.014 -3.656 4.568 86 3HD1 ILE 12 3HD1 ILE 12 -1.245 -4.710 3.922 87 H VAL 13 H VAL 13 3.141 -5.246 -0.358 88 HA VAL 13 HA VAL 13 4.494 -2.911 -0.902 89 HB VAL 13 HB VAL 13 3.819 -5.207 -2.768 90 1HG1 VAL 13 1HG1 VAL 13 6.279 -3.475 -2.935 91 2HG1 VAL 13 2HG1 VAL 13 4.798 -3.016 -3.775 92 3HG1 VAL 13 3HG1 VAL 13 5.593 -4.540 -4.162 93 1HG2 VAL 13 1HG2 VAL 13 5.426 -6.402 -1.681 94 2HG2 VAL 13 2HG2 VAL 13 5.140 -5.263 -0.364 95 3HG2 VAL 13 3HG2 VAL 13 6.472 -4.995 -1.488 96 H TYR 14 H TYR 14 1.660 -4.106 -2.729 97 HA TYR 14 HA TYR 14 1.546 -1.917 -4.588 98 1HB TYR 14 2HB TYR 14 0.167 -4.330 -3.943 99 2HB TYR 14 1HB TYR 14 -1.035 -3.041 -4.032 100 HD1 TYR 14 1HD TYR 14 -2.013 -2.794 -6.124 101 HD2 TYR 14 2HD TYR 14 2.116 -3.945 -5.868 102 HE1 TYR 14 1HE TYR 14 -1.871 -2.831 -8.598 103 HE2 TYR 14 2HE TYR 14 2.259 -3.982 -8.343 104 HH TYR 14 HH TYR 14 0.425 -4.338 -10.284 105 H LYS 15 H LYS 15 -0.347 -2.569 -1.616 106 HA LYS 15 HA LYS 15 -1.935 -0.260 -1.554 107 1HB LYS 15 2HB LYS 15 -2.278 -2.026 0.005 108 2HB LYS 15 1HB LYS 15 -0.610 -1.946 0.575 109 1HG LYS 15 2HG LYS 15 -1.106 -0.330 2.072 110 2HG LYS 15 1HG LYS 15 -1.973 0.615 0.860 111 1HD LYS 15 2HD LYS 15 -3.143 -1.838 2.194 112 2HD LYS 15 1HD LYS 15 -3.400 -0.199 2.793 113 1HE LYS 15 2HE LYS 15 -3.905 -0.387 -0.081 114 2HE LYS 15 1HE LYS 15 -4.954 -1.469 0.858 115 1HZ LYS 15 1HZ LYS 15 -5.836 0.247 2.044 116 2HZ LYS 15 2HZ LYS 15 -5.524 1.074 0.593 117 3HZ LYS 15 3HZ LYS 15 -4.453 1.220 1.904 118 H ILE 16 H ILE 16 1.431 -0.651 -0.426 119 HA ILE 16 HA ILE 16 1.675 1.978 0.726 120 HB ILE 16 HB ILE 16 3.780 0.155 -0.485 121 1HG1 ILE 16 2HG1 ILE 16 2.402 -1.078 1.115 122 2HG1 ILE 16 1HG1 ILE 16 3.967 -0.726 1.849 123 1HG2 ILE 16 1HG2 ILE 16 4.236 2.644 0.274 124 2HG2 ILE 16 2HG2 ILE 16 5.359 1.363 0.731 125 3HG2 ILE 16 3HG2 ILE 16 4.167 1.946 1.893 126 1HD1 ILE 16 1HD1 ILE 16 2.547 -0.064 3.559 127 2HD1 ILE 16 2HD1 ILE 16 1.284 0.463 2.448 128 3HD1 ILE 16 3HD1 ILE 16 2.722 1.456 2.683 129 H ASN 17 H ASN 17 2.613 0.672 -2.476 130 HA ASN 17 HA ASN 17 3.844 2.845 -3.665 131 1HB ASN 17 2HB ASN 17 1.874 0.774 -4.606 132 2HB ASN 17 1HB ASN 17 2.452 1.999 -5.737 133 1HD2 ASN 17 1HD2 ASN 17 3.228 -1.016 -4.295 134 2HD2 ASN 17 2HD2 ASN 17 4.851 -1.095 -4.787 135 H LYS 18 H LYS 18 0.413 2.500 -2.892 136 HA LYS 18 HA LYS 18 -0.494 4.805 -4.395 137 1HB LYS 18 2HB LYS 18 -1.501 2.879 -2.365 138 2HB LYS 18 1HB LYS 18 -2.354 4.420 -2.459 139 1HG LYS 18 2HG LYS 18 -3.351 3.833 -4.391 140 2HG LYS 18 1HG LYS 18 -1.806 3.381 -5.112 141 1HD LYS 18 2HD LYS 18 -2.287 1.198 -4.860 142 2HD LYS 18 1HD LYS 18 -2.528 1.428 -3.127 143 1HE LYS 18 2HE LYS 18 -4.716 0.940 -3.532 144 2HE LYS 18 1HE LYS 18 -4.818 2.552 -4.267 145 1HZ LYS 18 1HZ LYS 18 -4.521 -0.054 -5.549 146 2HZ LYS 18 2HZ LYS 18 -3.655 1.238 -6.234 147 3HZ LYS 18 3HZ LYS 18 -5.345 1.326 -6.086 148 H ILE 19 H ILE 19 0.028 4.299 -0.879 149 HA ILE 19 HA ILE 19 -0.456 6.916 0.019 150 HB ILE 19 HB ILE 19 1.640 4.919 0.938 151 1HG1 ILE 19 2HG1 ILE 19 -0.937 5.112 2.353 152 2HG1 ILE 19 1HG1 ILE 19 -1.076 4.521 0.697 153 1HG2 ILE 19 1HG2 ILE 19 1.961 7.091 1.991 154 2HG2 ILE 19 2HG2 ILE 19 1.233 5.994 3.164 155 3HG2 ILE 19 3HG2 ILE 19 0.241 7.206 2.355 156 1HD1 ILE 19 1HD1 ILE 19 -0.385 2.979 2.887 157 2HD1 ILE 19 2HD1 ILE 19 1.178 3.338 2.153 158 3HD1 ILE 19 3HD1 ILE 19 -0.083 2.551 1.203 159 H VAL 20 H VAL 20 2.707 5.533 -0.978 160 HA VAL 20 HA VAL 20 4.197 7.964 -0.719 161 HB VAL 20 HB VAL 20 4.594 5.590 -2.567 162 1HG1 VAL 20 1HG1 VAL 20 6.190 7.970 -1.894 163 2HG1 VAL 20 2HG1 VAL 20 6.328 6.876 -3.270 164 3HG1 VAL 20 3HG1 VAL 20 7.064 6.447 -1.727 165 1HG2 VAL 20 1HG2 VAL 20 6.155 5.660 -0.114 166 2HG2 VAL 20 2HG2 VAL 20 5.160 4.359 -0.767 167 3HG2 VAL 20 3HG2 VAL 20 4.424 5.625 0.217 168 H GLU 21 H GLU 21 3.098 6.378 -3.747 169 HA GLU 21 HA GLU 21 3.662 8.432 -5.557 170 1HB GLU 21 2HB GLU 21 1.381 6.445 -5.373 171 2HB GLU 21 1HB GLU 21 1.683 7.421 -6.811 172 1HG GLU 21 2HG GLU 21 3.978 5.905 -5.644 173 2HG GLU 21 1HG GLU 21 2.760 4.999 -6.541 174 H ARG 22 H ARG 22 0.728 8.038 -3.555 175 HA ARG 22 HA ARG 22 -0.916 10.068 -4.460 176 1HB ARG 22 2HB ARG 22 -1.520 8.653 -2.612 177 2HB ARG 22 1HB ARG 22 -0.152 9.221 -1.653 178 1HG ARG 22 2HG ARG 22 -1.136 11.499 -1.628 179 2HG ARG 22 1HG ARG 22 -2.525 10.893 -2.532 180 1HD ARG 22 2HD ARG 22 -2.185 9.134 -0.330 181 2HD ARG 22 1HD ARG 22 -2.073 10.786 0.310 182 HE ARG 22 HE ARG 22 -4.294 11.217 -0.494 183 1HH1 ARG 22 1HH2 ARG 22 -4.024 9.743 -3.116 184 2HH1 ARG 22 2HH2 ARG 22 -5.129 8.428 -2.894 185 1HH2 ARG 22 1HH1 ARG 22 -5.318 8.819 0.546 186 2HH2 ARG 22 2HH1 ARG 22 -5.862 7.905 -0.821 187 H ARG 23 H ARG 23 1.811 10.496 -2.169 188 HA ARG 23 HA ARG 23 1.693 13.211 -1.641 189 1HB ARG 23 2HB ARG 23 3.636 11.096 -1.685 190 2HB ARG 23 1HB ARG 23 4.394 12.569 -2.287 191 1HG ARG 23 2HG ARG 23 2.674 12.745 0.159 192 2HG ARG 23 1HG ARG 23 4.297 12.074 0.317 193 1HD ARG 23 2HD ARG 23 4.660 14.348 -1.276 194 2HD ARG 23 1HD ARG 23 3.502 14.855 -0.030 195 HE ARG 23 HE ARG 23 5.856 13.295 0.872 196 1HH1 ARG 23 1HH1 ARG 23 4.065 14.891 2.698 197 2HH1 ARG 23 2HH1 ARG 23 5.026 16.302 2.990 198 1HH2 ARG 23 1HH2 ARG 23 7.163 15.725 0.321 199 2HH2 ARG 23 2HH2 ARG 23 6.779 16.775 1.643 200 H ARG 24 H ARG 24 3.362 11.782 -4.484 201 HA ARG 24 HA ARG 24 3.858 14.332 -5.746 202 1HB ARG 24 2HB ARG 24 4.636 11.688 -6.030 203 2HB ARG 24 1HB ARG 24 3.656 11.962 -7.472 204 1HG ARG 24 2HG ARG 24 5.015 13.789 -8.173 205 2HG ARG 24 1HG ARG 24 5.818 13.888 -6.605 206 1HD ARG 24 2HD ARG 24 6.118 11.222 -7.710 207 2HD ARG 24 1HD ARG 24 6.717 12.444 -8.848 208 HE ARG 24 HE ARG 24 7.502 12.770 -6.010 209 1HH1 ARG 24 1HH1 ARG 24 8.835 10.353 -7.237 210 2HH1 ARG 24 2HH1 ARG 24 10.290 11.043 -7.875 211 1HH2 ARG 24 1HH2 ARG 24 9.136 14.308 -7.693 212 2HH2 ARG 24 2HH2 ARG 24 10.460 13.281 -8.135 213 H ALA 25 H ALA 25 1.530 11.721 -6.556 214 HA ALA 25 HA ALA 25 0.122 12.971 -8.619 215 1HB ALA 25 1HB ALA 25 -1.319 11.514 -6.417 216 2HB ALA 25 2HB ALA 25 -0.099 10.662 -7.361 217 3HB ALA 25 3HB ALA 25 -1.511 11.351 -8.163 218 H GLU 26 H GLU 26 0.181 13.782 -5.229 219 HA GLU 26 HA GLU 26 -2.146 15.583 -5.509 220 1HB GLU 26 2HB GLU 26 -0.497 14.542 -3.197 221 2HB GLU 26 1HB GLU 26 -1.771 15.744 -2.992 222 1HG GLU 26 2HG GLU 26 -2.864 13.673 -4.590 223 2HG GLU 26 1HG GLU 26 -2.025 12.889 -3.250 224 H GLY 27 H GLY 27 1.348 15.603 -5.216 225 1HA GLY 27 2HA GLY 27 2.359 17.749 -6.136 226 2HA GLY 27 1HA GLY 27 1.263 18.592 -5.041 227 H ALA 28 H ALA 28 3.579 15.873 -4.767 228 HA ALA 28 HA ALA 28 4.226 16.214 -2.041 229 1HB ALA 28 1HB ALA 28 4.845 14.278 -3.403 230 2HB ALA 28 2HB ALA 28 6.304 14.986 -2.711 231 3HB ALA 28 3HB ALA 28 5.895 15.285 -4.400 232 H LYS 29 H LYS 29 6.993 16.633 -1.907 233 HA LYS 29 HA LYS 29 7.401 19.409 -2.945 234 1HB LYS 29 2HB LYS 29 6.760 18.593 -0.284 235 2HB LYS 29 1HB LYS 29 8.433 19.158 -0.281 236 1HG LYS 29 2HG LYS 29 7.825 21.286 -1.161 237 2HG LYS 29 1HG LYS 29 6.210 20.725 -1.602 238 1HD LYS 29 2HD LYS 29 6.774 20.343 1.239 239 2HD LYS 29 1HD LYS 29 6.890 22.035 0.757 240 1HE LYS 29 2HE LYS 29 4.643 22.204 0.421 241 2HE LYS 29 1HE LYS 29 4.566 20.632 -0.398 242 1HZ LYS 29 1HZ LYS 29 3.601 20.966 2.024 243 2HZ LYS 29 2HZ LYS 29 5.214 20.647 2.452 244 3HZ LYS 29 3HZ LYS 29 4.329 19.511 1.549 245 H SER 30 H SER 30 8.908 16.655 -1.219 246 HA SER 30 HA SER 30 11.333 17.008 -2.917 247 1HB SER 30 2HB SER 30 11.070 17.269 0.063 248 2HB SER 30 1HB SER 30 12.570 16.639 -0.610 249 HG SER 30 HG SER 30 11.569 19.179 -0.606 250 H THR 31 H THR 31 12.951 15.100 -1.905 251 HA THR 31 HA THR 31 11.504 12.611 -2.485 252 HB THR 31 HB THR 31 13.744 11.682 -2.506 253 HG1 THR 31 1HG THR 31 14.763 14.117 -1.544 254 1HG2 THR 31 1HG2 THR 31 13.841 14.533 -3.530 255 2HG2 THR 31 2HG2 THR 31 13.123 13.173 -4.394 256 3HG2 THR 31 3HG2 THR 31 14.857 13.197 -4.072 257 H ASP 32 H ASP 32 11.517 14.374 0.225 258 HA ASP 32 HA ASP 32 12.464 12.862 2.379 259 1HB ASP 32 2HB ASP 32 11.224 15.134 2.229 260 2HB ASP 32 1HB ASP 32 9.744 14.178 2.336 261 H VAL 33 H VAL 33 9.717 12.217 0.288 262 HA VAL 33 HA VAL 33 8.761 10.017 2.045 263 HB VAL 33 HB VAL 33 7.207 11.650 0.995 264 1HG1 VAL 33 1HG1 VAL 33 8.839 11.035 -1.310 265 2HG1 VAL 33 2HG1 VAL 33 7.640 12.313 -1.114 266 3HG1 VAL 33 3HG1 VAL 33 7.143 10.715 -1.671 267 1HG2 VAL 33 1HG2 VAL 33 7.068 8.762 0.098 268 2HG2 VAL 33 2HG2 VAL 33 5.747 9.900 -0.169 269 3HG2 VAL 33 3HG2 VAL 33 6.254 9.508 1.474 270 H SER 34 H SER 34 8.789 7.826 1.347 271 HA SER 34 HA SER 34 9.958 7.147 -1.281 272 1HB SER 34 2HB SER 34 11.270 6.368 1.341 273 2HB SER 34 1HB SER 34 11.849 5.969 -0.273 274 HG SER 34 HG SER 34 11.677 8.446 -0.477 275 H PHE 35 H PHE 35 9.558 4.933 -1.837 276 HA PHE 35 HA PHE 35 7.222 3.711 -0.801 277 1HB PHE 35 2HB PHE 35 8.313 3.323 -3.015 278 2HB PHE 35 1HB PHE 35 9.604 2.444 -2.194 279 HD1 PHE 35 1HD PHE 35 5.861 2.510 -2.458 280 HD2 PHE 35 2HD PHE 35 9.397 0.134 -1.909 281 HE1 PHE 35 1HE PHE 35 4.482 0.449 -2.496 282 HE2 PHE 35 2HE PHE 35 8.018 -1.927 -1.947 283 HZ PHE 35 HZ PHE 35 5.561 -1.769 -2.241 284 H SER 36 H SER 36 10.652 3.118 -0.025 285 HA SER 36 HA SER 36 10.170 0.895 1.753 286 1HB SER 36 2HB SER 36 12.546 1.789 2.535 287 2HB SER 36 1HB SER 36 12.348 1.055 0.947 288 HG SER 36 HG SER 36 13.381 2.996 0.656 289 H SER 37 H SER 37 10.118 4.390 2.148 290 HA SER 37 HA SER 37 10.199 4.317 5.074 291 1HB SER 37 2HB SER 37 10.399 6.587 4.809 292 2HB SER 37 1HB SER 37 10.723 6.153 3.133 293 HG SER 37 HG SER 37 8.579 7.428 4.241 294 H ILE 38 H ILE 38 7.668 4.820 2.592 295 HA ILE 38 HA ILE 38 5.526 5.137 4.534 296 HB ILE 38 HB ILE 38 5.653 4.540 1.570 297 1HG1 ILE 38 2HG1 ILE 38 6.586 6.737 2.521 298 2HG1 ILE 38 1HG1 ILE 38 5.359 6.890 1.264 299 1HG2 ILE 38 1HG2 ILE 38 3.232 5.675 1.903 300 2HG2 ILE 38 2HG2 ILE 38 3.369 4.838 3.450 301 3HG2 ILE 38 3HG2 ILE 38 3.474 3.929 1.943 302 1HD1 ILE 38 1HD1 ILE 38 5.119 8.327 3.428 303 2HD1 ILE 38 2HD1 ILE 38 4.553 6.826 4.161 304 3HD1 ILE 38 3HD1 ILE 38 3.691 7.515 2.784 305 H SER 39 H SER 39 7.086 2.416 3.005 306 HA SER 39 HA SER 39 5.001 0.475 3.121 307 1HB SER 39 2HB SER 39 7.901 0.640 2.796 308 2HB SER 39 1HB SER 39 7.408 -0.839 3.617 309 HG SER 39 HG SER 39 7.291 -1.225 1.438 310 H THR 40 H THR 40 7.804 0.239 5.285 311 HA THR 40 HA THR 40 6.735 -1.261 7.326 312 HB THR 40 HB THR 40 9.051 -0.517 7.232 313 HG1 THR 40 1HG THR 40 7.898 0.651 9.534 314 1HG2 THR 40 1HG2 THR 40 8.044 1.917 6.561 315 2HG2 THR 40 2HG2 THR 40 9.702 1.664 7.104 316 3HG2 THR 40 3HG2 THR 40 8.472 2.201 8.247 317 H MET 41 H MET 41 6.207 2.211 6.805 318 HA MET 41 HA MET 41 5.026 2.999 9.211 319 1HB MET 41 2HB MET 41 5.359 3.981 6.654 320 2HB MET 41 1HB MET 41 3.604 3.871 6.785 321 1HG MET 41 2HG MET 41 4.832 4.954 9.206 322 2HG MET 41 1HG MET 41 5.179 5.934 7.782 323 1HE MET 41 1HE MET 41 3.429 5.605 5.954 324 2HE MET 41 2HE MET 41 2.629 7.149 6.242 325 3HE MET 41 3HE MET 41 1.675 5.669 6.169 326 H LEU 42 H LEU 42 3.173 1.788 6.377 327 HA LEU 42 HA LEU 42 0.681 1.502 7.689 328 1HB LEU 42 2HB LEU 42 2.048 0.541 5.257 329 2HB LEU 42 1HB LEU 42 0.728 -0.495 5.799 330 HG LEU 42 HG LEU 42 0.058 1.369 4.201 331 1HD1 LEU 42 1HD1 LEU 42 -1.513 2.070 6.536 332 2HD1 LEU 42 2HD1 LEU 42 -1.210 0.333 6.489 333 3HD1 LEU 42 3HD1 LEU 42 -1.986 1.130 5.121 334 1HD2 LEU 42 1HD2 LEU 42 0.210 3.595 4.830 335 2HD2 LEU 42 2HD2 LEU 42 1.650 2.962 5.629 336 3HD2 LEU 42 3HD2 LEU 42 0.171 3.218 6.553 337 H LEU 43 H LEU 43 3.018 -1.136 6.970 338 HA LEU 43 HA LEU 43 1.802 -3.207 8.395 339 1HB LEU 43 2HB LEU 43 3.753 -3.558 7.027 340 2HB LEU 43 1HB LEU 43 4.715 -2.461 8.021 341 HG LEU 43 HG LEU 43 3.594 -4.401 9.768 342 1HD1 LEU 43 1HD1 LEU 43 3.294 -5.776 7.702 343 2HD1 LEU 43 2HD1 LEU 43 4.450 -6.487 8.829 344 3HD1 LEU 43 3HD1 LEU 43 5.025 -5.640 7.395 345 1HD2 LEU 43 1HD2 LEU 43 6.065 -5.029 9.964 346 2HD2 LEU 43 2HD2 LEU 43 5.687 -3.327 10.230 347 3HD2 LEU 43 3HD2 LEU 43 6.372 -3.849 8.690 348 H GLU 44 H GLU 44 4.031 -0.717 9.677 349 HA GLU 44 HA GLU 44 4.120 -1.701 12.369 350 1HB GLU 44 2HB GLU 44 4.497 0.977 11.015 351 2HB GLU 44 1HB GLU 44 4.681 0.806 12.761 352 1HG GLU 44 2HG GLU 44 6.282 -1.140 12.222 353 2HG GLU 44 1HG GLU 44 6.293 -0.512 10.575 354 H LEU 45 H LEU 45 1.702 -0.129 10.518 355 HA LEU 45 HA LEU 45 0.154 0.739 12.905 356 1HB LEU 45 2HB LEU 45 0.193 1.230 9.944 357 2HB LEU 45 1HB LEU 45 -1.301 1.536 10.832 358 HG LEU 45 HG LEU 45 1.225 2.614 11.995 359 1HD1 LEU 45 1HD1 LEU 45 1.752 3.903 10.228 360 2HD1 LEU 45 2HD1 LEU 45 0.125 4.587 10.237 361 3HD1 LEU 45 3HD1 LEU 45 0.470 3.138 9.291 362 1HD2 LEU 45 1HD2 LEU 45 -1.096 2.832 13.005 363 2HD2 LEU 45 2HD2 LEU 45 -1.518 3.854 11.632 364 3HD2 LEU 45 3HD2 LEU 45 -0.255 4.361 12.753 365 H GLY 46 H GLY 46 0.550 -2.006 10.999 366 1HA GLY 46 2HA GLY 46 -0.719 -3.979 10.863 367 2HA GLY 46 1HA GLY 46 -1.810 -3.284 12.064 368 H LEU 47 H LEU 47 -1.421 -1.127 9.523 369 HA LEU 47 HA LEU 47 -2.684 -0.644 7.571 370 1HB LEU 47 2HB LEU 47 -2.569 -3.329 7.591 371 2HB LEU 47 1HB LEU 47 -4.298 -3.131 7.874 372 HG LEU 47 HG LEU 47 -3.471 -1.298 5.822 373 1HD1 LEU 47 1HD1 LEU 47 -2.303 -2.561 4.312 374 2HD1 LEU 47 2HD1 LEU 47 -3.078 -4.063 4.815 375 3HD1 LEU 47 3HD1 LEU 47 -1.755 -3.392 5.767 376 1HD2 LEU 47 1HD2 LEU 47 -5.364 -2.129 4.763 377 2HD2 LEU 47 2HD2 LEU 47 -5.708 -2.600 6.427 378 3HD2 LEU 47 3HD2 LEU 47 -5.058 -3.783 5.290 379 H ARG 48 H ARG 48 -4.353 -1.906 10.445 380 HA ARG 48 HA ARG 48 -6.934 -0.778 9.826 381 1HB ARG 48 2HB ARG 48 -6.296 -2.646 11.445 382 2HB ARG 48 1HB ARG 48 -5.742 -1.380 12.542 383 1HG ARG 48 2HG ARG 48 -7.948 -1.689 13.247 384 2HG ARG 48 1HG ARG 48 -8.113 -0.345 12.117 385 1HD ARG 48 2HD ARG 48 -9.665 -1.626 11.054 386 2HD ARG 48 1HD ARG 48 -8.302 -2.612 10.489 387 HE ARG 48 HE ARG 48 -8.733 -3.557 13.043 388 1HH1 ARG 48 1HH1 ARG 48 -10.220 -3.622 9.982 389 2HH1 ARG 48 2HH1 ARG 48 -11.538 -4.633 10.473 390 1HH2 ARG 48 1HH2 ARG 48 -10.660 -4.603 13.827 391 2HH2 ARG 48 2HH2 ARG 48 -11.788 -5.186 12.650 392 H VAL 49 H VAL 49 -4.659 0.225 12.417 393 HA VAL 49 HA VAL 49 -5.732 2.657 13.138 394 HB VAL 49 HB VAL 49 -2.797 2.115 12.592 395 1HG1 VAL 49 1HG1 VAL 49 -4.305 4.224 13.950 396 2HG1 VAL 49 2HG1 VAL 49 -2.615 4.202 13.447 397 3HG1 VAL 49 3HG1 VAL 49 -3.087 3.484 14.987 398 1HG2 VAL 49 1HG2 VAL 49 -3.502 1.618 15.299 399 2HG2 VAL 49 2HG2 VAL 49 -2.948 0.448 14.101 400 3HG2 VAL 49 3HG2 VAL 49 -4.673 0.756 14.302 401 H TYR 50 H TYR 50 -3.945 1.957 10.162 402 HA TYR 50 HA TYR 50 -3.705 4.730 9.321 403 1HB TYR 50 2HB TYR 50 -2.166 3.095 8.489 404 2HB TYR 50 1HB TYR 50 -3.472 2.023 7.984 405 HD1 TYR 50 1HD TYR 50 -3.738 1.922 5.679 406 HD2 TYR 50 2HD TYR 50 -2.652 5.659 7.496 407 HE1 TYR 50 1HE TYR 50 -3.781 3.016 3.454 408 HE2 TYR 50 2HE TYR 50 -2.695 6.754 5.271 409 HH TYR 50 HH TYR 50 -3.461 4.892 2.324 410 H GLU 51 H GLU 51 -5.554 2.097 7.739 411 HA GLU 51 HA GLU 51 -7.278 3.762 6.252 412 1HB GLU 51 2HB GLU 51 -6.702 1.128 6.480 413 2HB GLU 51 1HB GLU 51 -8.259 1.164 7.302 414 1HG GLU 51 2HG GLU 51 -8.354 2.765 4.898 415 2HG GLU 51 1HG GLU 51 -7.807 1.131 4.526 416 H ALA 52 H ALA 52 -7.311 2.935 9.633 417 HA ALA 52 HA ALA 52 -10.072 3.235 10.253 418 1HB ALA 52 1HB ALA 52 -9.125 3.796 12.526 419 2HB ALA 52 2HB ALA 52 -7.527 3.850 11.783 420 3HB ALA 52 3HB ALA 52 -8.437 2.340 11.808 421 H GLN 53 H GLN 53 -7.612 5.608 9.478 422 HA GLN 53 HA GLN 53 -8.558 7.962 10.648 423 1HB GLN 53 2HB GLN 53 -7.514 9.053 8.700 424 2HB GLN 53 1HB GLN 53 -6.537 7.682 9.230 425 1HG GLN 53 2HG GLN 53 -7.795 6.285 7.504 426 2HG GLN 53 1HG GLN 53 -8.421 7.807 6.869 427 1HE2 GLN 53 1HE2 GLN 53 -6.801 9.380 6.016 428 2HE2 GLN 53 2HE2 GLN 53 -5.286 8.826 5.486 429 H MET 54 H MET 54 -9.739 6.398 7.659 430 HA MET 54 HA MET 54 -12.364 7.710 8.026 431 1HB MET 54 2HB MET 54 -10.619 8.118 5.575 432 2HB MET 54 1HB MET 54 -12.244 8.765 5.802 433 1HG MET 54 2HG MET 54 -11.370 9.930 7.882 434 2HG MET 54 1HG MET 54 -9.750 9.460 7.369 435 1HE MET 54 1HE MET 54 -12.768 12.107 5.234 436 2HE MET 54 2HE MET 54 -13.031 10.702 6.266 437 3HE MET 54 3HE MET 54 -12.589 10.475 4.576 438 H GLU 55 H GLU 55 -10.629 6.179 5.289 439 HA GLU 55 HA GLU 55 -11.907 3.619 5.511 440 1HB GLU 55 2HB GLU 55 -13.958 4.786 5.117 441 2HB GLU 55 1HB GLU 55 -13.237 5.762 3.837 442 1HG GLU 55 2HG GLU 55 -13.281 4.026 2.295 443 2HG GLU 55 1HG GLU 55 -13.241 2.780 3.543 444 H ARG 56 H ARG 56 -11.360 2.244 3.676 445 HA ARG 56 HA ARG 56 -8.862 2.595 2.487 446 1HB ARG 56 2HB ARG 56 -9.956 0.474 2.450 447 2HB ARG 56 1HB ARG 56 -11.367 1.136 1.623 448 1HG ARG 56 2HG ARG 56 -8.986 1.665 0.077 449 2HG ARG 56 1HG ARG 56 -9.102 -0.059 0.434 450 1HD ARG 56 2HD ARG 56 -10.583 -0.174 -1.289 451 2HD ARG 56 1HD ARG 56 -11.723 0.684 -0.232 452 HE ARG 56 HE ARG 56 -10.062 2.678 -1.263 453 1HH1 ARG 56 1HH2 ARG 56 -12.462 0.438 -2.276 454 2HH1 ARG 56 2HH2 ARG 56 -12.740 1.212 -3.799 455 1HH2 ARG 56 1HH1 ARG 56 -10.272 3.602 -3.337 456 2HH2 ARG 56 2HH1 ARG 56 -11.502 3.003 -4.400 Start of MODEL 11 1 1H ALA 2 1H ALA 2 -5.505 -27.009 1.396 2 2H ALA 2 2H ALA 2 -5.564 -26.206 -0.100 3 3H ALA 2 3H ALA 2 -6.437 -25.602 1.227 4 HA ALA 2 HA ALA 2 -4.623 -24.204 1.263 5 1HB ALA 2 1HB ALA 2 -3.207 -25.141 3.119 6 2HB ALA 2 2HB ALA 2 -3.980 -26.704 2.857 7 3HB ALA 2 3HB ALA 2 -4.937 -25.327 3.402 8 H LYS 3 H LYS 3 -2.602 -23.694 0.384 9 HA LYS 3 HA LYS 3 -1.239 -25.883 -1.147 10 1HB LYS 3 2HB LYS 3 -2.375 -23.834 -2.255 11 2HB LYS 3 1HB LYS 3 -1.018 -22.906 -1.614 12 1HG LYS 3 2HG LYS 3 0.304 -25.006 -2.732 13 2HG LYS 3 1HG LYS 3 -1.080 -24.883 -3.818 14 1HD LYS 3 2HD LYS 3 0.266 -23.326 -4.839 15 2HD LYS 3 1HD LYS 3 -0.458 -22.269 -3.626 16 1HE LYS 3 2HE LYS 3 1.752 -21.818 -3.140 17 2HE LYS 3 1HE LYS 3 1.614 -23.310 -2.188 18 1HZ LYS 3 1HZ LYS 3 2.107 -24.480 -4.385 19 2HZ LYS 3 2HZ LYS 3 3.407 -23.713 -3.603 20 3HZ LYS 3 3HZ LYS 3 2.656 -22.972 -4.935 21 H VAL 4 H VAL 4 -0.028 -26.395 0.885 22 HA VAL 4 HA VAL 4 1.723 -26.053 2.466 23 HB VAL 4 HB VAL 4 3.827 -25.606 1.152 24 1HG1 VAL 4 1HG1 VAL 4 3.699 -27.784 0.598 25 2HG1 VAL 4 2HG1 VAL 4 2.558 -27.426 -0.697 26 3HG1 VAL 4 3HG1 VAL 4 1.970 -27.728 0.940 27 1HG2 VAL 4 1HG2 VAL 4 3.684 -25.174 -1.218 28 2HG2 VAL 4 2HG2 VAL 4 2.707 -23.951 -0.412 29 3HG2 VAL 4 3HG2 VAL 4 1.930 -25.326 -1.198 30 H GLN 5 H GLN 5 0.541 -24.167 3.499 31 HA GLN 5 HA GLN 5 0.645 -21.997 4.430 32 1HB GLN 5 2HB GLN 5 3.340 -21.899 3.048 33 2HB GLN 5 1HB GLN 5 2.854 -21.053 4.519 34 1HG GLN 5 2HG GLN 5 2.382 -23.501 5.397 35 2HG GLN 5 1HG GLN 5 3.531 -23.948 4.136 36 1HE2 GLN 5 1HE2 GLN 5 5.417 -24.370 5.352 37 2HE2 GLN 5 2HE2 GLN 5 6.139 -23.247 6.402 38 H ALA 6 H ALA 6 0.436 -19.736 3.759 39 HA ALA 6 HA ALA 6 0.361 -19.326 0.789 40 1HB ALA 6 1HB ALA 6 -1.736 -19.099 2.894 41 2HB ALA 6 2HB ALA 6 -1.895 -19.557 1.197 42 3HB ALA 6 3HB ALA 6 -1.737 -17.857 1.641 43 H TYR 7 H TYR 7 2.173 -17.944 0.709 44 HA TYR 7 HA TYR 7 2.029 -15.480 2.419 45 1HB TYR 7 2HB TYR 7 4.582 -15.522 1.895 46 2HB TYR 7 1HB TYR 7 3.954 -16.683 3.063 47 HD1 TYR 7 1HD TYR 7 4.188 -19.007 2.705 48 HD2 TYR 7 2HD TYR 7 4.829 -16.278 -0.550 49 HE1 TYR 7 1HE TYR 7 5.026 -20.873 1.304 50 HE2 TYR 7 2HE TYR 7 5.666 -18.144 -1.950 51 HH TYR 7 HH TYR 7 5.832 -21.471 -0.668 52 H VAL 8 H VAL 8 0.556 -15.369 0.100 53 HA VAL 8 HA VAL 8 2.324 -13.918 -1.842 54 HB VAL 8 HB VAL 8 -0.372 -15.263 -2.220 55 1HG1 VAL 8 1HG1 VAL 8 1.129 -14.933 -4.628 56 2HG1 VAL 8 2HG1 VAL 8 1.078 -13.374 -3.804 57 3HG1 VAL 8 3HG1 VAL 8 -0.423 -14.208 -4.205 58 1HG2 VAL 8 1HG2 VAL 8 1.924 -16.580 -1.750 59 2HG2 VAL 8 2HG2 VAL 8 2.142 -16.271 -3.474 60 3HG2 VAL 8 3HG2 VAL 8 0.732 -17.167 -2.910 61 H SER 9 H SER 9 1.737 -12.270 0.160 62 HA SER 9 HA SER 9 -0.877 -10.951 -0.218 63 1HB SER 9 2HB SER 9 1.099 -11.231 1.802 64 2HB SER 9 1HB SER 9 1.010 -9.513 1.420 65 HG SER 9 HG SER 9 -1.302 -11.092 1.807 66 H ASP 10 H ASP 10 0.429 -10.805 -2.628 67 HA ASP 10 HA ASP 10 2.203 -8.609 -3.016 68 1HB ASP 10 2HB ASP 10 1.495 -10.574 -4.540 69 2HB ASP 10 1HB ASP 10 0.111 -9.569 -4.972 70 H GLU 11 H GLU 11 -1.363 -8.795 -3.201 71 HA GLU 11 HA GLU 11 -2.046 -6.277 -4.133 72 1HB GLU 11 2HB GLU 11 -3.147 -8.112 -2.020 73 2HB GLU 11 1HB GLU 11 -3.939 -6.565 -2.326 74 1HG GLU 11 2HG GLU 11 -3.246 -8.260 -4.687 75 2HG GLU 11 1HG GLU 11 -4.611 -8.760 -3.688 76 H ILE 12 H ILE 12 -1.183 -7.077 -0.747 77 HA ILE 12 HA ILE 12 -1.554 -4.567 0.450 78 HB ILE 12 HB ILE 12 0.444 -6.803 0.823 79 1HG1 ILE 12 2HG1 ILE 12 -1.989 -7.151 1.328 80 2HG1 ILE 12 1HG1 ILE 12 -0.957 -7.317 2.749 81 1HG2 ILE 12 1HG2 ILE 12 0.409 -4.113 2.047 82 2HG2 ILE 12 2HG2 ILE 12 1.718 -5.292 1.956 83 3HG2 ILE 12 3HG2 ILE 12 0.478 -5.446 3.201 84 1HD1 ILE 12 1HD1 ILE 12 -1.977 -5.593 3.780 85 2HD1 ILE 12 2HD1 ILE 12 -3.170 -5.611 2.480 86 3HD1 ILE 12 3HD1 ILE 12 -1.762 -4.554 2.372 87 H VAL 13 H VAL 13 1.382 -5.759 -1.225 88 HA VAL 13 HA VAL 13 2.959 -3.404 -0.881 89 HB VAL 13 HB VAL 13 2.875 -5.566 -3.006 90 1HG1 VAL 13 1HG1 VAL 13 5.446 -4.274 -2.579 91 2HG1 VAL 13 2HG1 VAL 13 4.234 -3.120 -3.134 92 3HG1 VAL 13 3HG1 VAL 13 4.580 -4.562 -4.089 93 1HG2 VAL 13 1HG2 VAL 13 5.141 -5.607 -1.229 94 2HG2 VAL 13 2HG2 VAL 13 3.894 -6.836 -1.450 95 3HG2 VAL 13 3HG2 VAL 13 3.658 -5.540 -0.276 96 H TYR 14 H TYR 14 0.522 -4.277 -3.301 97 HA TYR 14 HA TYR 14 1.045 -2.202 -5.194 98 1HB TYR 14 2HB TYR 14 -0.560 -4.355 -5.046 99 2HB TYR 14 1HB TYR 14 -1.742 -3.110 -4.640 100 HD1 TYR 14 1HD TYR 14 -1.572 -4.877 -7.210 101 HD2 TYR 14 2HD TYR 14 -0.261 -0.895 -6.274 102 HE1 TYR 14 1HE TYR 14 -1.745 -4.257 -9.606 103 HE2 TYR 14 2HE TYR 14 -0.435 -0.274 -8.668 104 HH TYR 14 HH TYR 14 -0.313 -1.873 -10.993 105 H LYS 15 H LYS 15 -1.302 -2.315 -2.485 106 HA LYS 15 HA LYS 15 -2.429 0.244 -2.747 107 1HB LYS 15 2HB LYS 15 -2.679 -1.831 -1.061 108 2HB LYS 15 1HB LYS 15 -1.713 -0.772 -0.031 109 1HG LYS 15 2HG LYS 15 -3.872 -0.075 0.504 110 2HG LYS 15 1HG LYS 15 -3.450 1.061 -0.780 111 1HD LYS 15 2HD LYS 15 -5.099 0.278 -2.098 112 2HD LYS 15 1HD LYS 15 -4.531 -1.380 -1.903 113 1HE LYS 15 2HE LYS 15 -5.929 -0.196 0.445 114 2HE LYS 15 1HE LYS 15 -6.934 -0.574 -0.968 115 1HZ LYS 15 1HZ LYS 15 -5.087 -2.398 0.472 116 2HZ LYS 15 2HZ LYS 15 -5.760 -2.763 -1.044 117 3HZ LYS 15 3HZ LYS 15 -6.768 -2.556 0.308 118 H ILE 16 H ILE 16 0.755 -0.666 -1.552 119 HA ILE 16 HA ILE 16 1.349 1.882 -0.282 120 HB ILE 16 HB ILE 16 3.178 -0.287 -1.357 121 1HG1 ILE 16 2HG1 ILE 16 1.355 -1.095 0.197 122 2HG1 ILE 16 1HG1 ILE 16 2.988 -1.333 0.818 123 1HG2 ILE 16 1HG2 ILE 16 4.818 0.577 0.130 124 2HG2 ILE 16 2HG2 ILE 16 3.636 1.566 0.988 125 3HG2 ILE 16 3HG2 ILE 16 4.125 1.998 -0.650 126 1HD1 ILE 16 1HD1 ILE 16 0.837 0.190 1.971 127 2HD1 ILE 16 2HD1 ILE 16 2.192 1.263 1.625 128 3HD1 ILE 16 3HD1 ILE 16 2.429 -0.155 2.647 129 H ASN 17 H ASN 17 2.727 0.378 -3.241 130 HA ASN 17 HA ASN 17 4.141 2.492 -4.311 131 1HB ASN 17 2HB ASN 17 2.417 0.316 -5.460 132 2HB ASN 17 1HB ASN 17 3.119 1.506 -6.557 133 1HD2 ASN 17 1HD2 ASN 17 3.744 -1.510 -5.513 134 2HD2 ASN 17 2HD2 ASN 17 5.440 -1.483 -5.456 135 H LYS 18 H LYS 18 0.649 2.239 -4.039 136 HA LYS 18 HA LYS 18 0.061 4.443 -5.858 137 1HB LYS 18 2HB LYS 18 -1.447 2.938 -3.701 138 2HB LYS 18 1HB LYS 18 -2.193 4.217 -4.660 139 1HG LYS 18 2HG LYS 18 -2.166 2.971 -6.604 140 2HG LYS 18 1HG LYS 18 -0.742 2.051 -6.116 141 1HD LYS 18 2HD LYS 18 -2.020 0.705 -4.598 142 2HD LYS 18 1HD LYS 18 -3.429 1.754 -4.759 143 1HE LYS 18 2HE LYS 18 -2.285 0.400 -7.199 144 2HE LYS 18 1HE LYS 18 -3.401 -0.471 -6.128 145 1HZ LYS 18 1HZ LYS 18 -3.919 2.242 -7.220 146 2HZ LYS 18 2HZ LYS 18 -4.997 1.273 -6.332 147 3HZ LYS 18 3HZ LYS 18 -4.537 0.819 -7.903 148 H ILE 19 H ILE 19 -0.272 4.132 -2.298 149 HA ILE 19 HA ILE 19 -0.712 6.805 -1.628 150 HB ILE 19 HB ILE 19 0.961 4.667 -0.269 151 1HG1 ILE 19 2HG1 ILE 19 -1.824 5.485 0.499 152 2HG1 ILE 19 1HG1 ILE 19 -1.595 4.408 -0.880 153 1HG2 ILE 19 1HG2 ILE 19 -0.031 6.174 1.752 154 2HG2 ILE 19 2HG2 ILE 19 0.198 7.423 0.528 155 3HG2 ILE 19 3HG2 ILE 19 1.564 6.438 1.050 156 1HD1 ILE 19 1HD1 ILE 19 -1.748 3.576 1.732 157 2HD1 ILE 19 2HD1 ILE 19 -0.005 3.679 1.490 158 3HD1 ILE 19 3HD1 ILE 19 -0.984 2.660 0.434 159 H VAL 20 H VAL 20 2.496 5.203 -1.798 160 HA VAL 20 HA VAL 20 4.196 7.351 -1.334 161 HB VAL 20 HB VAL 20 5.579 6.139 -3.257 162 1HG1 VAL 20 1HG1 VAL 20 6.153 5.877 -0.957 163 2HG1 VAL 20 2HG1 VAL 20 5.999 4.252 -1.625 164 3HG1 VAL 20 3HG1 VAL 20 4.703 4.928 -0.638 165 1HG2 VAL 20 1HG2 VAL 20 4.600 4.392 -4.283 166 2HG2 VAL 20 2HG2 VAL 20 3.075 4.910 -3.572 167 3HG2 VAL 20 3HG2 VAL 20 4.071 3.719 -2.742 168 H GLU 21 H GLU 21 3.415 6.372 -4.675 169 HA GLU 21 HA GLU 21 4.252 8.641 -6.039 170 1HB GLU 21 2HB GLU 21 1.969 6.707 -6.410 171 2HB GLU 21 1HB GLU 21 2.255 7.989 -7.588 172 1HG GLU 21 2HG GLU 21 4.728 6.631 -6.873 173 2HG GLU 21 1HG GLU 21 3.531 5.503 -7.511 174 H ARG 22 H ARG 22 1.365 8.293 -4.053 175 HA ARG 22 HA ARG 22 -0.007 10.657 -5.007 176 1HB ARG 22 2HB ARG 22 -0.320 8.525 -3.102 177 2HB ARG 22 1HB ARG 22 -0.668 10.058 -2.303 178 1HG ARG 22 2HG ARG 22 -2.293 10.642 -4.003 179 2HG ARG 22 1HG ARG 22 -1.864 9.222 -4.958 180 1HD ARG 22 2HD ARG 22 -2.465 8.041 -2.572 181 2HD ARG 22 1HD ARG 22 -3.586 9.416 -2.555 182 HE ARG 22 HE ARG 22 -3.479 8.040 -5.133 183 1HH1 ARG 22 1HH2 ARG 22 -4.315 6.577 -2.350 184 2HH1 ARG 22 2HH2 ARG 22 -6.019 6.480 -2.647 185 1HH2 ARG 22 1HH1 ARG 22 -5.935 8.613 -5.379 186 2HH2 ARG 22 2HH1 ARG 22 -6.936 7.631 -4.363 187 H ARG 23 H ARG 23 2.355 10.041 -2.426 188 HA ARG 23 HA ARG 23 2.252 12.321 -0.868 189 1HB ARG 23 2HB ARG 23 4.016 10.258 -1.357 190 2HB ARG 23 1HB ARG 23 4.956 11.671 -1.842 191 1HG ARG 23 2HG ARG 23 5.437 11.719 0.404 192 2HG ARG 23 1HG ARG 23 3.922 12.621 0.454 193 1HD ARG 23 2HD ARG 23 2.689 10.743 1.207 194 2HD ARG 23 1HD ARG 23 3.958 9.606 0.706 195 HE ARG 23 HE ARG 23 5.071 10.069 2.734 196 1HH1 ARG 23 1HH1 ARG 23 2.174 11.506 3.104 197 2HH1 ARG 23 2HH1 ARG 23 2.711 12.859 4.041 198 1HH2 ARG 23 1HH2 ARG 23 6.076 12.284 3.434 199 2HH2 ARG 23 2HH2 ARG 23 4.920 13.301 4.227 200 H ARG 24 H ARG 24 3.740 12.070 -4.111 201 HA ARG 24 HA ARG 24 4.587 14.845 -4.190 202 1HB ARG 24 2HB ARG 24 4.477 12.455 -5.939 203 2HB ARG 24 1HB ARG 24 4.450 13.999 -6.789 204 1HG ARG 24 2HG ARG 24 6.483 14.709 -5.612 205 2HG ARG 24 1HG ARG 24 6.502 13.195 -4.705 206 1HD ARG 24 2HD ARG 24 6.329 12.331 -7.342 207 2HD ARG 24 1HD ARG 24 7.430 13.720 -7.435 208 HE ARG 24 HE ARG 24 7.933 11.872 -5.196 209 1HH1 ARG 24 1HH2 ARG 24 8.364 12.183 -8.569 210 2HH1 ARG 24 2HH2 ARG 24 10.039 11.740 -8.547 211 1HH2 ARG 24 1HH1 ARG 24 10.224 11.582 -5.089 212 2HH2 ARG 24 2HH1 ARG 24 11.092 11.400 -6.577 213 H ALA 25 H ALA 25 2.036 13.143 -6.066 214 HA ALA 25 HA ALA 25 0.759 15.299 -7.252 215 1HB ALA 25 1HB ALA 25 0.096 12.608 -6.326 216 2HB ALA 25 2HB ALA 25 -0.427 13.439 -7.791 217 3HB ALA 25 3HB ALA 25 -1.308 13.675 -6.282 218 H GLU 26 H GLU 26 0.797 14.420 -3.862 219 HA GLU 26 HA GLU 26 -1.314 16.307 -3.119 220 1HB GLU 26 2HB GLU 26 0.295 14.150 -1.939 221 2HB GLU 26 1HB GLU 26 -0.003 15.486 -0.826 222 1HG GLU 26 2HG GLU 26 -2.450 15.036 -2.160 223 2HG GLU 26 1HG GLU 26 -1.834 13.440 -1.730 224 H GLY 27 H GLY 27 2.221 16.188 -3.212 225 1HA GLY 27 2HA GLY 27 3.203 18.538 -3.475 226 2HA GLY 27 1HA GLY 27 2.274 18.940 -2.030 227 H ALA 28 H ALA 28 4.287 16.099 -2.846 228 HA ALA 28 HA ALA 28 5.336 15.672 -0.269 229 1HB ALA 28 1HB ALA 28 7.329 14.789 -1.839 230 2HB ALA 28 2HB ALA 28 6.117 15.074 -3.089 231 3HB ALA 28 3HB ALA 28 5.772 13.962 -1.763 232 H LYS 29 H LYS 29 8.057 15.819 -0.269 233 HA LYS 29 HA LYS 29 8.684 18.722 -0.691 234 1HB LYS 29 2HB LYS 29 8.769 16.959 1.705 235 2HB LYS 29 1HB LYS 29 10.114 18.086 1.516 236 1HG LYS 29 2HG LYS 29 8.102 19.773 0.965 237 2HG LYS 29 1HG LYS 29 7.225 18.645 2.000 238 1HD LYS 29 2HD LYS 29 9.825 19.263 3.127 239 2HD LYS 29 1HD LYS 29 8.898 20.737 2.842 240 1HE LYS 29 2HE LYS 29 6.947 19.656 4.028 241 2HE LYS 29 1HE LYS 29 8.030 18.319 4.462 242 1HZ LYS 29 1HZ LYS 29 8.061 19.991 6.193 243 2HZ LYS 29 2HZ LYS 29 8.468 21.197 5.065 244 3HZ LYS 29 3HZ LYS 29 9.566 19.948 5.415 245 H SER 30 H SER 30 10.147 15.521 0.008 246 HA SER 30 HA SER 30 12.264 16.140 -2.007 247 1HB SER 30 2HB SER 30 12.493 15.735 0.930 248 2HB SER 30 1HB SER 30 13.708 14.930 -0.058 249 HG SER 30 HG SER 30 14.607 16.827 -0.116 250 H THR 31 H THR 31 13.792 13.862 -1.693 251 HA THR 31 HA THR 31 11.969 11.775 -2.705 252 HB THR 31 HB THR 31 14.202 12.464 -3.703 253 HG1 THR 31 1HG THR 31 14.580 10.423 -4.323 254 1HG2 THR 31 1HG2 THR 31 15.786 10.765 -1.995 255 2HG2 THR 31 2HG2 THR 31 15.040 12.047 -1.040 256 3HG2 THR 31 3HG2 THR 31 16.051 12.454 -2.427 257 H ASP 32 H ASP 32 12.949 12.697 0.334 258 HA ASP 32 HA ASP 32 13.850 10.412 1.686 259 1HB ASP 32 2HB ASP 32 12.035 12.720 2.363 260 2HB ASP 32 1HB ASP 32 12.369 11.477 3.570 261 H VAL 33 H VAL 33 10.672 11.063 0.344 262 HA VAL 33 HA VAL 33 9.343 8.895 1.809 263 HB VAL 33 HB VAL 33 8.293 11.042 0.993 264 1HG1 VAL 33 1HG1 VAL 33 8.601 9.675 -1.699 265 2HG1 VAL 33 2HG1 VAL 33 9.443 11.138 -1.185 266 3HG1 VAL 33 3HG1 VAL 33 7.693 11.158 -1.403 267 1HG2 VAL 33 1HG2 VAL 33 6.205 10.012 0.429 268 2HG2 VAL 33 2HG2 VAL 33 7.032 8.874 1.492 269 3HG2 VAL 33 3HG2 VAL 33 7.010 8.598 -0.251 270 H SER 34 H SER 34 8.778 6.862 0.927 271 HA SER 34 HA SER 34 9.228 6.136 -1.839 272 1HB SER 34 2HB SER 34 11.493 6.319 -0.187 273 2HB SER 34 1HB SER 34 11.153 4.595 -0.298 274 HG SER 34 HG SER 34 12.488 5.441 -2.014 275 H PHE 35 H PHE 35 9.360 3.533 -1.886 276 HA PHE 35 HA PHE 35 6.960 2.502 -0.810 277 1HB PHE 35 2HB PHE 35 8.182 1.510 -2.675 278 2HB PHE 35 1HB PHE 35 9.554 1.154 -1.625 279 HD1 PHE 35 1HD PHE 35 9.709 -0.970 -0.679 280 HD2 PHE 35 2HD PHE 35 5.853 0.550 -1.813 281 HE1 PHE 35 1HE PHE 35 8.671 -3.133 -0.049 282 HE2 PHE 35 2HE PHE 35 4.816 -1.613 -1.183 283 HZ PHE 35 HZ PHE 35 6.225 -3.454 -0.301 284 H SER 36 H SER 36 10.259 1.615 0.291 285 HA SER 36 HA SER 36 9.605 0.228 2.620 286 1HB SER 36 2HB SER 36 11.864 1.867 1.609 287 2HB SER 36 1HB SER 36 11.865 1.563 3.344 288 HG SER 36 HG SER 36 12.413 -0.112 1.288 289 H SER 37 H SER 37 10.092 3.766 2.313 290 HA SER 37 HA SER 37 9.604 4.427 5.045 291 1HB SER 37 2HB SER 37 10.566 6.095 3.720 292 2HB SER 37 1HB SER 37 9.465 5.801 2.379 293 HG SER 37 HG SER 37 8.663 6.834 4.897 294 H ILE 38 H ILE 38 7.334 4.950 2.316 295 HA ILE 38 HA ILE 38 5.030 5.460 3.859 296 HB ILE 38 HB ILE 38 5.568 4.312 1.120 297 1HG1 ILE 38 2HG1 ILE 38 6.009 6.733 1.671 298 2HG1 ILE 38 1HG1 ILE 38 4.818 6.504 0.393 299 1HG2 ILE 38 1HG2 ILE 38 2.915 5.150 1.116 300 2HG2 ILE 38 2HG2 ILE 38 3.058 4.244 2.622 301 3HG2 ILE 38 3HG2 ILE 38 3.467 3.477 1.088 302 1HD1 ILE 38 1HD1 ILE 38 3.587 6.501 3.033 303 2HD1 ILE 38 2HD1 ILE 38 3.187 7.466 1.612 304 3HD1 ILE 38 3HD1 ILE 38 4.458 8.001 2.712 305 H SER 39 H SER 39 6.367 2.347 2.763 306 HA SER 39 HA SER 39 4.138 0.764 3.750 307 1HB SER 39 2HB SER 39 5.786 0.185 1.921 308 2HB SER 39 1HB SER 39 7.004 -0.043 3.173 309 HG SER 39 HG SER 39 6.084 -2.018 2.817 310 H THR 40 H THR 40 7.464 1.349 4.952 311 HA THR 40 HA THR 40 7.449 -0.215 7.266 312 HB THR 40 HB THR 40 8.596 2.532 6.694 313 HG1 THR 40 1HG THR 40 9.791 -0.036 6.745 314 1HG2 THR 40 1HG2 THR 40 8.520 1.031 9.165 315 2HG2 THR 40 2HG2 THR 40 9.197 2.630 8.859 316 3HG2 THR 40 3HG2 THR 40 10.180 1.190 8.592 317 H MET 41 H MET 41 6.146 3.099 6.895 318 HA MET 41 HA MET 41 5.386 3.417 9.653 319 1HB MET 41 2HB MET 41 4.017 5.282 8.674 320 2HB MET 41 1HB MET 41 5.689 5.281 8.118 321 1HG MET 41 2HG MET 41 5.126 4.622 5.981 322 2HG MET 41 1HG MET 41 3.696 3.744 6.516 323 1HE MET 41 1HE MET 41 1.981 4.098 5.764 324 2HE MET 41 2HE MET 41 1.686 5.359 4.567 325 3HE MET 41 3HE MET 41 0.926 5.463 6.154 326 H LEU 42 H LEU 42 3.783 1.943 6.876 327 HA LEU 42 HA LEU 42 1.124 1.859 7.994 328 1HB LEU 42 2HB LEU 42 2.513 1.113 5.634 329 2HB LEU 42 1HB LEU 42 1.711 -0.341 6.228 330 HG LEU 42 HG LEU 42 0.419 2.336 5.645 331 1HD1 LEU 42 1HD1 LEU 42 -0.371 1.378 3.735 332 2HD1 LEU 42 2HD1 LEU 42 -0.616 -0.188 4.509 333 3HD1 LEU 42 3HD1 LEU 42 0.989 0.274 3.941 334 1HD2 LEU 42 1HD2 LEU 42 -0.393 0.072 7.360 335 2HD2 LEU 42 2HD2 LEU 42 -1.611 0.573 6.187 336 3HD2 LEU 42 3HD2 LEU 42 -0.974 1.738 7.347 337 H LEU 43 H LEU 43 3.737 -0.591 7.839 338 HA LEU 43 HA LEU 43 2.311 -2.603 9.303 339 1HB LEU 43 2HB LEU 43 4.614 -2.429 7.862 340 2HB LEU 43 1HB LEU 43 5.263 -2.490 9.503 341 HG LEU 43 HG LEU 43 3.389 -4.422 9.697 342 1HD1 LEU 43 1HD1 LEU 43 2.570 -4.461 7.489 343 2HD1 LEU 43 2HD1 LEU 43 3.752 -5.769 7.497 344 3HD1 LEU 43 3HD1 LEU 43 4.170 -4.207 6.793 345 1HD2 LEU 43 1HD2 LEU 43 5.403 -5.956 8.845 346 2HD2 LEU 43 2HD2 LEU 43 5.519 -5.054 10.356 347 3HD2 LEU 43 3HD2 LEU 43 6.274 -4.421 8.893 348 H GLU 44 H GLU 44 3.811 0.324 10.344 349 HA GLU 44 HA GLU 44 4.604 -0.455 13.005 350 1HB GLU 44 2HB GLU 44 3.923 2.056 11.510 351 2HB GLU 44 1HB GLU 44 4.024 2.143 13.268 352 1HG GLU 44 2HG GLU 44 6.248 0.628 12.191 353 2HG GLU 44 1HG GLU 44 6.172 2.230 11.456 354 H LEU 45 H LEU 45 1.604 0.457 11.470 355 HA LEU 45 HA LEU 45 0.116 0.346 14.049 356 1HB LEU 45 2HB LEU 45 -0.241 1.476 11.298 357 2HB LEU 45 1HB LEU 45 -1.691 1.090 12.225 358 HG LEU 45 HG LEU 45 -0.309 2.376 14.138 359 1HD1 LEU 45 1HD1 LEU 45 1.601 3.181 13.172 360 2HD1 LEU 45 2HD1 LEU 45 0.524 4.459 12.604 361 3HD1 LEU 45 3HD1 LEU 45 0.927 3.109 11.545 362 1HD2 LEU 45 1HD2 LEU 45 -2.444 3.190 13.720 363 2HD2 LEU 45 2HD2 LEU 45 -2.162 3.332 11.987 364 3HD2 LEU 45 3HD2 LEU 45 -1.472 4.521 13.091 365 H GLY 46 H GLY 46 1.018 -1.651 11.466 366 1HA GLY 46 2HA GLY 46 0.401 -3.913 11.111 367 2HA GLY 46 1HA GLY 46 -0.907 -3.710 12.279 368 H LEU 47 H LEU 47 -0.652 -1.309 9.805 369 HA LEU 47 HA LEU 47 -2.020 -0.852 7.930 370 1HB LEU 47 2HB LEU 47 -1.231 -3.507 7.829 371 2HB LEU 47 1HB LEU 47 -2.985 -3.616 7.670 372 HG LEU 47 HG LEU 47 -2.361 -1.486 6.024 373 1HD1 LEU 47 1HD1 LEU 47 -0.538 -2.572 4.556 374 2HD1 LEU 47 2HD1 LEU 47 -0.145 -3.537 5.978 375 3HD1 LEU 47 3HD1 LEU 47 -0.009 -1.780 6.040 376 1HD2 LEU 47 1HD2 LEU 47 -3.902 -3.447 5.638 377 2HD2 LEU 47 2HD2 LEU 47 -2.487 -4.400 5.192 378 3HD2 LEU 47 3HD2 LEU 47 -2.948 -3.000 4.224 379 H ARG 48 H ARG 48 -3.116 -1.661 10.886 380 HA ARG 48 HA ARG 48 -5.919 -2.252 10.385 381 1HB ARG 48 2HB ARG 48 -4.071 -1.741 12.629 382 2HB ARG 48 1HB ARG 48 -5.736 -1.240 12.932 383 1HG ARG 48 2HG ARG 48 -5.211 -3.932 11.712 384 2HG ARG 48 1HG ARG 48 -5.003 -3.716 13.450 385 1HD ARG 48 2HD ARG 48 -7.431 -2.447 12.936 386 2HD ARG 48 1HD ARG 48 -7.479 -3.891 11.901 387 HE ARG 48 HE ARG 48 -7.682 -3.953 14.742 388 1HH1 ARG 48 1HH2 ARG 48 -7.722 -6.088 12.343 389 2HH1 ARG 48 2HH2 ARG 48 -6.705 -7.290 13.064 390 1HH2 ARG 48 1HH1 ARG 48 -5.594 -5.207 15.605 391 2HH2 ARG 48 2HH1 ARG 48 -5.501 -6.791 14.911 392 H VAL 49 H VAL 49 -4.837 0.525 12.296 393 HA VAL 49 HA VAL 49 -6.952 2.241 11.875 394 HB VAL 49 HB VAL 49 -3.980 2.848 11.984 395 1HG1 VAL 49 1HG1 VAL 49 -6.394 4.569 11.961 396 2HG1 VAL 49 2HG1 VAL 49 -4.733 4.951 11.505 397 3HG1 VAL 49 3HG1 VAL 49 -5.201 4.939 13.206 398 1HG2 VAL 49 1HG2 VAL 49 -5.820 3.140 14.311 399 2HG2 VAL 49 2HG2 VAL 49 -4.134 2.627 14.272 400 3HG2 VAL 49 3HG2 VAL 49 -5.410 1.497 13.821 401 H TYR 50 H TYR 50 -4.245 1.657 9.644 402 HA TYR 50 HA TYR 50 -4.591 3.724 7.785 403 1HB TYR 50 2HB TYR 50 -2.802 2.093 7.654 404 2HB TYR 50 1HB TYR 50 -3.957 0.778 7.422 405 HD1 TYR 50 1HD TYR 50 -3.025 4.082 5.909 406 HD2 TYR 50 2HD TYR 50 -4.421 0.075 5.244 407 HE1 TYR 50 1HE TYR 50 -2.980 4.475 3.460 408 HE2 TYR 50 2HE TYR 50 -4.374 0.466 2.796 409 HH TYR 50 HH TYR 50 -3.255 1.943 1.192 410 H GLU 51 H GLU 51 -6.206 0.519 7.707 411 HA GLU 51 HA GLU 51 -7.903 1.059 5.496 412 1HB GLU 51 2HB GLU 51 -7.214 -1.039 7.091 413 2HB GLU 51 1HB GLU 51 -8.843 -0.712 7.670 414 1HG GLU 51 2HG GLU 51 -8.828 -0.551 4.809 415 2HG GLU 51 1HG GLU 51 -8.083 -2.072 5.296 416 H ALA 52 H ALA 52 -7.973 2.282 8.702 417 HA ALA 52 HA ALA 52 -10.780 2.574 9.158 418 1HB ALA 52 1HB ALA 52 -8.721 4.611 9.979 419 2HB ALA 52 2HB ALA 52 -8.629 2.971 10.623 420 3HB ALA 52 3HB ALA 52 -10.063 3.954 10.917 421 H GLN 53 H GLN 53 -8.420 4.784 7.627 422 HA GLN 53 HA GLN 53 -10.610 6.563 6.770 423 1HB GLN 53 2HB GLN 53 -8.807 8.096 6.285 424 2HB GLN 53 1HB GLN 53 -8.442 7.332 7.833 425 1HG GLN 53 2HG GLN 53 -7.165 5.574 6.375 426 2HG GLN 53 1HG GLN 53 -7.188 6.839 5.144 427 1HE2 GLN 53 1HE2 GLN 53 -6.055 6.101 8.451 428 2HE2 GLN 53 2HE2 GLN 53 -4.879 7.326 8.495 429 H MET 54 H MET 54 -10.469 3.926 5.541 430 HA MET 54 HA MET 54 -9.112 3.934 3.021 431 1HB MET 54 2HB MET 54 -10.954 2.338 4.541 432 2HB MET 54 1HB MET 54 -11.543 2.449 2.882 433 1HG MET 54 2HG MET 54 -8.627 1.970 3.212 434 2HG MET 54 1HG MET 54 -9.693 0.637 3.657 435 1HE MET 54 1HE MET 54 -8.088 -0.377 0.743 436 2HE MET 54 2HE MET 54 -9.636 -1.204 0.904 437 3HE MET 54 3HE MET 54 -8.749 -0.721 2.346 438 H GLU 55 H GLU 55 -12.492 4.790 3.855 439 HA GLU 55 HA GLU 55 -12.588 6.421 1.342 440 1HB GLU 55 2HB GLU 55 -13.702 4.264 0.991 441 2HB GLU 55 1HB GLU 55 -14.663 4.501 2.451 442 1HG GLU 55 2HG GLU 55 -15.572 6.614 1.397 443 2HG GLU 55 1HG GLU 55 -14.773 6.130 -0.099 444 H ARG 56 H ARG 56 -14.223 8.161 1.461 445 HA ARG 56 HA ARG 56 -15.224 8.790 4.200 446 1HB ARG 56 2HB ARG 56 -14.261 11.090 3.915 447 2HB ARG 56 1HB ARG 56 -13.025 9.833 3.983 448 1HG ARG 56 2HG ARG 56 -12.333 10.265 1.877 449 2HG ARG 56 1HG ARG 56 -13.988 10.285 1.262 450 1HD ARG 56 2HD ARG 56 -13.740 12.534 1.033 451 2HD ARG 56 1HD ARG 56 -13.778 12.625 2.805 452 HE ARG 56 HE ARG 56 -11.176 11.908 1.606 453 1HH1 ARG 56 1HH2 ARG 56 -12.906 14.735 1.624 454 2HH1 ARG 56 2HH2 ARG 56 -11.798 15.637 2.604 455 1HH2 ARG 56 1HH1 ARG 56 -9.883 12.874 3.451 456 2HH2 ARG 56 2HH1 ARG 56 -10.087 14.583 3.638 Start of MODEL 12 1 1H ALA 2 1H ALA 2 11.928 -21.381 -3.770 2 2H ALA 2 2H ALA 2 12.448 -21.666 -2.176 3 3H ALA 2 3H ALA 2 13.120 -22.550 -3.463 4 HA ALA 2 HA ALA 2 14.474 -20.597 -2.489 5 1HB ALA 2 1HB ALA 2 14.927 -20.091 -5.093 6 2HB ALA 2 2HB ALA 2 13.889 -21.506 -5.269 7 3HB ALA 2 3HB ALA 2 15.387 -21.620 -4.345 8 H LYS 3 H LYS 3 12.972 -19.436 -5.457 9 HA LYS 3 HA LYS 3 12.630 -16.767 -4.253 10 1HB LYS 3 2HB LYS 3 13.604 -17.087 -6.488 11 2HB LYS 3 1HB LYS 3 12.132 -17.898 -7.026 12 1HG LYS 3 2HG LYS 3 10.891 -15.934 -7.045 13 2HG LYS 3 1HG LYS 3 11.921 -15.151 -5.845 14 1HD LYS 3 2HD LYS 3 13.175 -15.890 -8.448 15 2HD LYS 3 1HD LYS 3 12.063 -14.521 -8.444 16 1HE LYS 3 2HE LYS 3 14.150 -14.662 -6.290 17 2HE LYS 3 1HE LYS 3 14.629 -14.128 -7.913 18 1HZ LYS 3 1HZ LYS 3 12.383 -12.796 -7.686 19 2HZ LYS 3 2HZ LYS 3 13.849 -12.165 -7.107 20 3HZ LYS 3 3HZ LYS 3 12.755 -12.898 -6.035 21 H VAL 4 H VAL 4 10.886 -18.139 -2.826 22 HA VAL 4 HA VAL 4 8.386 -18.941 -3.697 23 HB VAL 4 HB VAL 4 9.116 -18.927 -1.366 24 1HG1 VAL 4 1HG1 VAL 4 8.941 -15.914 -1.660 25 2HG1 VAL 4 2HG1 VAL 4 10.397 -16.862 -1.356 26 3HG1 VAL 4 3HG1 VAL 4 9.144 -16.748 -0.119 27 1HG2 VAL 4 1HG2 VAL 4 6.619 -18.677 -2.047 28 2HG2 VAL 4 2HG2 VAL 4 6.781 -17.019 -1.468 29 3HG2 VAL 4 3HG2 VAL 4 7.053 -18.369 -0.365 30 H GLN 5 H GLN 5 6.454 -17.887 -4.328 31 HA GLN 5 HA GLN 5 6.705 -15.376 -5.725 32 1HB GLN 5 2HB GLN 5 4.340 -17.051 -4.822 33 2HB GLN 5 1HB GLN 5 4.218 -15.696 -5.946 34 1HG GLN 5 2HG GLN 5 4.693 -17.138 -7.610 35 2HG GLN 5 1HG GLN 5 6.319 -17.272 -6.934 36 1HE2 GLN 5 1HE2 GLN 5 3.694 -19.141 -7.822 37 2HE2 GLN 5 2HE2 GLN 5 3.963 -20.482 -6.816 38 H ALA 6 H ALA 6 5.541 -13.378 -5.194 39 HA ALA 6 HA ALA 6 5.052 -11.616 -3.693 40 1HB ALA 6 1HB ALA 6 3.798 -13.327 -1.706 41 2HB ALA 6 2HB ALA 6 3.356 -13.825 -3.339 42 3HB ALA 6 3HB ALA 6 3.048 -12.173 -2.808 43 H TYR 7 H TYR 7 7.405 -11.508 -3.134 44 HA TYR 7 HA TYR 7 8.178 -12.774 -0.560 45 1HB TYR 7 2HB TYR 7 9.544 -12.602 -2.780 46 2HB TYR 7 1HB TYR 7 9.848 -10.939 -2.276 47 HD1 TYR 7 1HD TYR 7 10.339 -14.501 -1.402 48 HD2 TYR 7 2HD TYR 7 11.262 -10.433 -0.384 49 HE1 TYR 7 1HE TYR 7 12.113 -15.290 0.141 50 HE2 TYR 7 2HE TYR 7 13.036 -11.222 1.161 51 HH TYR 7 HH TYR 7 14.515 -13.398 1.298 52 H VAL 8 H VAL 8 9.308 -11.302 1.049 53 HA VAL 8 HA VAL 8 9.200 -9.441 2.504 54 HB VAL 8 HB VAL 8 8.903 -8.259 -0.267 55 1HG1 VAL 8 1HG1 VAL 8 9.882 -6.316 1.553 56 2HG1 VAL 8 2HG1 VAL 8 8.423 -6.991 2.275 57 3HG1 VAL 8 3HG1 VAL 8 8.359 -6.282 0.663 58 1HG2 VAL 8 1HG2 VAL 8 11.149 -8.450 -0.311 59 2HG2 VAL 8 2HG2 VAL 8 11.065 -9.330 1.213 60 3HG2 VAL 8 3HG2 VAL 8 11.288 -7.581 1.216 61 H SER 9 H SER 9 7.037 -7.870 0.235 62 HA SER 9 HA SER 9 4.806 -8.202 2.212 63 1HB SER 9 2HB SER 9 5.091 -6.026 0.141 64 2HB SER 9 1HB SER 9 4.178 -5.989 1.647 65 HG SER 9 HG SER 9 5.942 -5.487 2.693 66 H ASP 10 H ASP 10 2.870 -9.032 1.446 67 HA ASP 10 HA ASP 10 2.801 -10.309 -1.143 68 1HB ASP 10 2HB ASP 10 0.609 -9.769 0.884 69 2HB ASP 10 1HB ASP 10 0.589 -11.014 -0.364 70 H GLU 11 H GLU 11 -0.259 -9.337 -1.049 71 HA GLU 11 HA GLU 11 -0.076 -7.552 -3.285 72 1HB GLU 11 2HB GLU 11 -2.515 -7.337 -2.874 73 2HB GLU 11 1HB GLU 11 -1.991 -9.017 -2.762 74 1HG GLU 11 2HG GLU 11 -1.718 -7.741 -0.188 75 2HG GLU 11 1HG GLU 11 -3.360 -7.520 -0.793 76 H ILE 12 H ILE 12 0.309 -7.011 0.082 77 HA ILE 12 HA ILE 12 -0.746 -4.433 0.505 78 HB ILE 12 HB ILE 12 1.735 -5.870 1.470 79 1HG1 ILE 12 2HG1 ILE 12 -0.582 -6.717 2.046 80 2HG1 ILE 12 1HG1 ILE 12 0.409 -6.292 3.443 81 1HG2 ILE 12 1HG2 ILE 12 0.557 -3.291 2.552 82 2HG2 ILE 12 2HG2 ILE 12 2.064 -3.409 1.642 83 3HG2 ILE 12 3HG2 ILE 12 1.929 -4.174 3.225 84 1HD1 ILE 12 1HD1 ILE 12 -1.610 -4.429 2.162 85 2HD1 ILE 12 2HD1 ILE 12 -0.708 -4.144 3.650 86 3HD1 ILE 12 3HD1 ILE 12 -1.934 -5.411 3.589 87 H VAL 13 H VAL 13 2.151 -5.416 -1.259 88 HA VAL 13 HA VAL 13 3.655 -3.089 -1.426 89 HB VAL 13 HB VAL 13 4.240 -3.936 -3.705 90 1HG1 VAL 13 1HG1 VAL 13 5.122 -6.030 -2.957 91 2HG1 VAL 13 2HG1 VAL 13 3.823 -6.235 -1.783 92 3HG1 VAL 13 3HG1 VAL 13 5.054 -4.997 -1.529 93 1HG2 VAL 13 1HG2 VAL 13 2.978 -6.172 -4.243 94 2HG2 VAL 13 2HG2 VAL 13 2.226 -4.637 -4.677 95 3HG2 VAL 13 3HG2 VAL 13 1.709 -5.492 -3.223 96 H TYR 14 H TYR 14 0.747 -3.863 -3.367 97 HA TYR 14 HA TYR 14 0.727 -1.469 -4.934 98 1HB TYR 14 2HB TYR 14 -1.460 -3.333 -3.959 99 2HB TYR 14 1HB TYR 14 -1.694 -2.111 -5.209 100 HD1 TYR 14 1HD TYR 14 -0.375 -2.230 -7.330 101 HD2 TYR 14 2HD TYR 14 -0.361 -5.389 -4.425 102 HE1 TYR 14 1HE TYR 14 0.538 -3.789 -9.033 103 HE2 TYR 14 2HE TYR 14 0.552 -6.953 -6.126 104 HH TYR 14 HH TYR 14 0.959 -7.236 -8.330 105 H LYS 15 H LYS 15 -1.359 -2.289 -2.150 106 HA LYS 15 HA LYS 15 -2.645 0.092 -1.727 107 1HB LYS 15 2HB LYS 15 -2.292 -2.253 -0.380 108 2HB LYS 15 1HB LYS 15 -1.476 -1.129 0.706 109 1HG LYS 15 2HG LYS 15 -3.518 -0.597 1.507 110 2HG LYS 15 1HG LYS 15 -3.811 0.212 -0.032 111 1HD LYS 15 2HD LYS 15 -4.423 -2.693 0.591 112 2HD LYS 15 1HD LYS 15 -5.607 -1.396 0.426 113 1HE LYS 15 2HE LYS 15 -5.137 -1.131 -1.910 114 2HE LYS 15 1HE LYS 15 -3.685 -2.144 -1.798 115 1HZ LYS 15 1HZ LYS 15 -5.560 -3.430 -2.624 116 2HZ LYS 15 2HZ LYS 15 -6.469 -3.032 -1.246 117 3HZ LYS 15 3HZ LYS 15 -5.079 -3.998 -1.100 118 H ILE 16 H ILE 16 0.735 -0.612 -0.884 119 HA ILE 16 HA ILE 16 1.185 1.853 0.570 120 HB ILE 16 HB ILE 16 3.116 0.001 -0.865 121 1HG1 ILE 16 2HG1 ILE 16 1.490 -1.088 0.770 122 2HG1 ILE 16 1HG1 ILE 16 3.199 -1.291 1.158 123 1HG2 ILE 16 1HG2 ILE 16 4.189 2.067 -0.185 124 2HG2 ILE 16 2HG2 ILE 16 4.669 0.802 0.948 125 3HG2 ILE 16 3HG2 ILE 16 3.441 1.980 1.410 126 1HD1 ILE 16 1HD1 ILE 16 2.939 -0.216 3.119 127 2HD1 ILE 16 2HD1 ILE 16 1.201 -0.196 2.821 128 3HD1 ILE 16 3HD1 ILE 16 2.199 1.166 2.313 129 H ASN 17 H ASN 17 2.428 0.819 -2.638 130 HA ASN 17 HA ASN 17 3.525 3.186 -3.555 131 1HB ASN 17 2HB ASN 17 2.591 0.732 -4.600 132 2HB ASN 17 1HB ASN 17 1.881 1.988 -5.613 133 1HD2 ASN 17 1HD2 ASN 17 4.409 0.018 -5.757 134 2HD2 ASN 17 2HD2 ASN 17 5.602 1.040 -6.399 135 H LYS 18 H LYS 18 0.122 2.490 -3.072 136 HA LYS 18 HA LYS 18 -1.013 4.562 -4.686 137 1HB LYS 18 2HB LYS 18 -1.775 2.605 -2.706 138 2HB LYS 18 1HB LYS 18 -2.594 4.132 -2.373 139 1HG LYS 18 2HG LYS 18 -3.951 3.880 -4.155 140 2HG LYS 18 1HG LYS 18 -2.586 3.543 -5.221 141 1HD LYS 18 2HD LYS 18 -2.620 1.214 -3.918 142 2HD LYS 18 1HD LYS 18 -4.317 1.643 -3.697 143 1HE LYS 18 2HE LYS 18 -3.343 2.091 -6.443 144 2HE LYS 18 1HE LYS 18 -3.331 0.390 -5.938 145 1HZ LYS 18 1HZ LYS 18 -5.592 2.279 -6.030 146 2HZ LYS 18 2HZ LYS 18 -5.616 0.987 -4.925 147 3HZ LYS 18 3HZ LYS 18 -5.512 0.680 -6.592 148 H ILE 19 H ILE 19 -1.133 4.649 -1.128 149 HA ILE 19 HA ILE 19 -1.500 7.360 -0.755 150 HB ILE 19 HB ILE 19 -1.266 5.290 0.842 151 1HG1 ILE 19 2HG1 ILE 19 -0.600 7.018 2.724 152 2HG1 ILE 19 1HG1 ILE 19 -0.708 8.183 1.402 153 1HG2 ILE 19 1HG2 ILE 19 0.864 5.346 2.129 154 2HG2 ILE 19 2HG2 ILE 19 1.509 6.509 0.969 155 3HG2 ILE 19 3HG2 ILE 19 1.111 4.872 0.447 156 1HD1 ILE 19 1HD1 ILE 19 -2.895 8.129 2.315 157 2HD1 ILE 19 2HD1 ILE 19 -2.870 6.374 2.477 158 3HD1 ILE 19 3HD1 ILE 19 -2.991 7.111 0.879 159 H VAL 20 H VAL 20 1.673 5.737 -1.125 160 HA VAL 20 HA VAL 20 3.321 8.029 -0.772 161 HB VAL 20 HB VAL 20 3.775 5.674 -2.627 162 1HG1 VAL 20 1HG1 VAL 20 6.085 6.047 -2.233 163 2HG1 VAL 20 2HG1 VAL 20 5.762 7.102 -0.858 164 3HG1 VAL 20 3HG1 VAL 20 5.416 7.658 -2.496 165 1HG2 VAL 20 1HG2 VAL 20 3.797 4.286 -0.850 166 2HG2 VAL 20 2HG2 VAL 20 3.079 5.589 0.095 167 3HG2 VAL 20 3HG2 VAL 20 4.830 5.385 0.060 168 H GLU 21 H GLU 21 2.034 6.610 -3.804 169 HA GLU 21 HA GLU 21 3.103 8.257 -5.740 170 1HB GLU 21 2HB GLU 21 1.173 6.402 -5.650 171 2HB GLU 21 1HB GLU 21 0.147 7.830 -5.777 172 1HG GLU 21 2HG GLU 21 0.841 8.308 -7.908 173 2HG GLU 21 1HG GLU 21 2.476 7.716 -7.619 174 H ARG 22 H ARG 22 0.261 9.071 -3.712 175 HA ARG 22 HA ARG 22 -0.517 11.521 -4.715 176 1HB ARG 22 2HB ARG 22 -0.100 10.559 -1.875 177 2HB ARG 22 1HB ARG 22 -0.920 12.075 -2.243 178 1HG ARG 22 2HG ARG 22 -2.098 10.201 -3.960 179 2HG ARG 22 1HG ARG 22 -1.932 9.356 -2.421 180 1HD ARG 22 2HD ARG 22 -3.196 11.027 -1.255 181 2HD ARG 22 1HD ARG 22 -3.112 12.143 -2.632 182 HE ARG 22 HE ARG 22 -4.378 10.250 -3.893 183 1HH1 ARG 22 1HH2 ARG 22 -4.310 9.610 -0.619 184 2HH1 ARG 22 2HH2 ARG 22 -6.028 9.526 -0.410 185 1HH2 ARG 22 1HH1 ARG 22 -6.737 10.696 -3.596 186 2HH2 ARG 22 2HH1 ARG 22 -7.402 10.141 -2.097 187 H ARG 23 H ARG 23 2.185 11.059 -2.397 188 HA ARG 23 HA ARG 23 3.053 13.690 -2.093 189 1HB ARG 23 2HB ARG 23 4.013 11.046 -1.698 190 2HB ARG 23 1HB ARG 23 5.302 11.934 -2.513 191 1HG ARG 23 2HG ARG 23 5.399 12.116 -0.012 192 2HG ARG 23 1HG ARG 23 5.245 13.675 -0.821 193 1HD ARG 23 2HD ARG 23 3.176 14.058 0.066 194 2HD ARG 23 1HD ARG 23 2.668 12.373 -0.164 195 HE ARG 23 HE ARG 23 3.289 12.042 2.085 196 1HH1 ARG 23 1HH2 ARG 23 4.645 14.964 0.998 197 2HH1 ARG 23 2HH2 ARG 23 5.872 15.028 2.218 198 1HH2 ARG 23 1HH1 ARG 23 5.136 11.893 3.502 199 2HH2 ARG 23 2HH1 ARG 23 6.151 13.290 3.635 200 H ARG 24 H ARG 24 4.340 11.438 -4.582 201 HA ARG 24 HA ARG 24 5.717 13.496 -6.050 202 1HB ARG 24 2HB ARG 24 5.674 10.769 -5.966 203 2HB ARG 24 1HB ARG 24 4.780 11.060 -7.458 204 1HG ARG 24 2HG ARG 24 6.888 11.131 -8.354 205 2HG ARG 24 1HG ARG 24 6.809 12.808 -7.811 206 1HD ARG 24 2HD ARG 24 8.514 12.451 -6.363 207 2HD ARG 24 1HD ARG 24 7.636 11.100 -5.620 208 HE ARG 24 HE ARG 24 8.980 9.656 -6.905 209 1HH1 ARG 24 1HH2 ARG 24 9.668 12.820 -7.832 210 2HH1 ARG 24 2HH2 ARG 24 10.280 12.409 -9.399 211 1HH2 ARG 24 1HH1 ARG 24 9.356 9.073 -9.177 212 2HH2 ARG 24 2HH1 ARG 24 10.104 10.286 -10.160 213 H ALA 25 H ALA 25 2.618 11.797 -6.685 214 HA ALA 25 HA ALA 25 1.810 12.978 -9.059 215 1HB ALA 25 1HB ALA 25 -0.516 12.826 -7.988 216 2HB ALA 25 2HB ALA 25 0.310 12.364 -6.500 217 3HB ALA 25 3HB ALA 25 0.449 11.350 -7.938 218 H GLU 26 H GLU 26 1.962 14.467 -5.860 219 HA GLU 26 HA GLU 26 0.643 16.920 -6.709 220 1HB GLU 26 2HB GLU 26 0.238 16.387 -4.482 221 2HB GLU 26 1HB GLU 26 1.842 15.695 -4.255 222 1HG GLU 26 2HG GLU 26 2.678 17.655 -3.526 223 2HG GLU 26 1HG GLU 26 1.971 18.527 -4.881 224 H GLY 27 H GLY 27 3.914 15.660 -6.373 225 1HA GLY 27 2HA GLY 27 5.621 16.783 -7.833 226 2HA GLY 27 1HA GLY 27 4.954 18.318 -7.276 227 H ALA 28 H ALA 28 5.819 15.361 -5.467 228 HA ALA 28 HA ALA 28 7.421 17.083 -3.624 229 1HB ALA 28 1HB ALA 28 6.777 14.219 -3.074 230 2HB ALA 28 2HB ALA 28 5.429 15.356 -3.111 231 3HB ALA 28 3HB ALA 28 6.757 15.601 -1.978 232 H LYS 29 H LYS 29 9.570 16.391 -3.033 233 HA LYS 29 HA LYS 29 10.766 14.171 -4.623 234 1HB LYS 29 2HB LYS 29 11.843 17.008 -4.513 235 2HB LYS 29 1HB LYS 29 12.507 15.669 -5.451 236 1HG LYS 29 2HG LYS 29 10.136 15.550 -6.523 237 2HG LYS 29 1HG LYS 29 9.941 17.184 -5.888 238 1HD LYS 29 2HD LYS 29 12.348 16.395 -7.534 239 2HD LYS 29 1HD LYS 29 10.862 16.979 -8.282 240 1HE LYS 29 2HE LYS 29 11.204 19.134 -7.575 241 2HE LYS 29 1HE LYS 29 11.893 18.617 -6.022 242 1HZ LYS 29 1HZ LYS 29 13.553 19.567 -7.596 243 2HZ LYS 29 2HZ LYS 29 13.255 18.257 -8.635 244 3HZ LYS 29 3HZ LYS 29 13.909 17.988 -7.089 245 H SER 30 H SER 30 10.438 13.641 -2.088 246 HA SER 30 HA SER 30 13.109 14.095 -0.839 247 1HB SER 30 2HB SER 30 11.547 14.350 1.322 248 2HB SER 30 1HB SER 30 11.953 15.735 0.314 249 HG SER 30 HG SER 30 9.661 15.412 0.784 250 H THR 31 H THR 31 13.723 12.371 0.572 251 HA THR 31 HA THR 31 12.636 9.777 -0.007 252 HB THR 31 HB THR 31 14.311 10.582 2.380 253 HG1 THR 31 1HG THR 31 15.703 11.300 1.009 254 1HG2 THR 31 1HG2 THR 31 13.435 8.117 1.368 255 2HG2 THR 31 2HG2 THR 31 14.697 8.375 2.571 256 3HG2 THR 31 3HG2 THR 31 15.120 8.249 0.865 257 H ASP 32 H ASP 32 11.472 12.229 2.024 258 HA ASP 32 HA ASP 32 10.553 10.947 4.346 259 1HB ASP 32 2HB ASP 32 10.012 13.307 2.765 260 2HB ASP 32 1HB ASP 32 8.501 12.657 3.405 261 H VAL 33 H VAL 33 9.242 10.822 1.056 262 HA VAL 33 HA VAL 33 7.245 8.791 1.999 263 HB VAL 33 HB VAL 33 6.308 10.949 1.215 264 1HG1 VAL 33 1HG1 VAL 33 7.201 12.022 -0.551 265 2HG1 VAL 33 2HG1 VAL 33 6.871 10.640 -1.596 266 3HG1 VAL 33 3HG1 VAL 33 8.385 10.724 -0.696 267 1HG2 VAL 33 1HG2 VAL 33 4.579 9.885 0.192 268 2HG2 VAL 33 2HG2 VAL 33 5.516 8.418 0.479 269 3HG2 VAL 33 3HG2 VAL 33 5.613 9.237 -1.081 270 H SER 34 H SER 34 7.093 6.880 0.759 271 HA SER 34 HA SER 34 8.152 6.413 -1.826 272 1HB SER 34 2HB SER 34 10.352 6.767 -1.279 273 2HB SER 34 1HB SER 34 10.071 6.478 0.437 274 HG SER 34 HG SER 34 11.027 4.809 -1.418 275 H PHE 35 H PHE 35 8.915 3.866 -1.875 276 HA PHE 35 HA PHE 35 6.608 2.363 -1.026 277 1HB PHE 35 2HB PHE 35 8.211 1.987 -2.990 278 2HB PHE 35 1HB PHE 35 9.332 1.299 -1.814 279 HD1 PHE 35 1HD PHE 35 9.203 -0.985 -1.345 280 HD2 PHE 35 2HD PHE 35 5.736 1.048 -2.858 281 HE1 PHE 35 1HE PHE 35 7.979 -3.140 -1.435 282 HE2 PHE 35 2HE PHE 35 4.512 -1.106 -2.949 283 HZ PHE 35 HZ PHE 35 5.633 -3.200 -2.236 284 H SER 36 H SER 36 10.033 1.882 -0.070 285 HA SER 36 HA SER 36 9.366 0.319 2.262 286 1HB SER 36 2HB SER 36 11.507 0.349 0.901 287 2HB SER 36 1HB SER 36 11.888 1.891 1.662 288 HG SER 36 HG SER 36 12.251 -0.570 2.606 289 H SER 37 H SER 37 9.349 3.710 1.665 290 HA SER 37 HA SER 37 9.931 4.564 4.401 291 1HB SER 37 2HB SER 37 10.424 6.092 2.657 292 2HB SER 37 1HB SER 37 8.876 5.815 1.863 293 HG SER 37 HG SER 37 8.731 7.742 2.955 294 H ILE 38 H ILE 38 6.951 4.904 2.431 295 HA ILE 38 HA ILE 38 5.217 5.421 4.633 296 HB ILE 38 HB ILE 38 5.034 4.626 1.761 297 1HG1 ILE 38 2HG1 ILE 38 3.903 6.705 1.555 298 2HG1 ILE 38 1HG1 ILE 38 3.491 6.743 3.269 299 1HG2 ILE 38 1HG2 ILE 38 2.604 4.612 3.577 300 2HG2 ILE 38 2HG2 ILE 38 3.350 3.166 2.898 301 3HG2 ILE 38 3HG2 ILE 38 2.615 4.362 1.831 302 1HD1 ILE 38 1HD1 ILE 38 5.630 7.387 3.910 303 2HD1 ILE 38 2HD1 ILE 38 5.491 8.204 2.351 304 3HD1 ILE 38 3HD1 ILE 38 6.382 6.686 2.476 305 H SER 39 H SER 39 6.072 2.362 2.994 306 HA SER 39 HA SER 39 4.258 0.613 4.253 307 1HB SER 39 2HB SER 39 6.955 0.491 3.021 308 2HB SER 39 1HB SER 39 6.529 -0.875 4.047 309 HG SER 39 HG SER 39 5.807 -1.266 1.959 310 H THR 40 H THR 40 7.414 1.798 5.425 311 HA THR 40 HA THR 40 7.763 0.287 7.742 312 HB THR 40 HB THR 40 8.197 3.233 7.175 313 HG1 THR 40 1HG THR 40 10.408 2.312 7.040 314 1HG2 THR 40 1HG2 THR 40 8.186 2.941 9.584 315 2HG2 THR 40 2HG2 THR 40 9.858 3.110 9.048 316 3HG2 THR 40 3HG2 THR 40 9.218 1.516 9.452 317 H MET 41 H MET 41 6.374 3.576 7.948 318 HA MET 41 HA MET 41 5.188 3.325 10.478 319 1HB MET 41 2HB MET 41 3.725 5.189 9.641 320 2HB MET 41 1HB MET 41 5.431 5.425 9.260 321 1HG MET 41 2HG MET 41 5.129 4.829 6.992 322 2HG MET 41 1HG MET 41 3.569 4.070 7.310 323 1HE MET 41 1HE MET 41 2.612 6.666 4.961 324 2HE MET 41 2HE MET 41 1.455 5.793 5.962 325 3HE MET 41 3HE MET 41 2.911 4.977 5.396 326 H LEU 42 H LEU 42 4.001 2.217 7.345 327 HA LEU 42 HA LEU 42 1.284 1.678 8.136 328 1HB LEU 42 2HB LEU 42 2.983 1.500 5.859 329 2HB LEU 42 1HB LEU 42 2.254 -0.091 6.086 330 HG LEU 42 HG LEU 42 0.406 2.192 6.431 331 1HD1 LEU 42 1HD1 LEU 42 0.668 3.164 4.415 332 2HD1 LEU 42 2HD1 LEU 42 0.634 1.597 3.606 333 3HD1 LEU 42 3HD1 LEU 42 2.157 2.237 4.223 334 1HD2 LEU 42 1HD2 LEU 42 0.310 -0.588 5.950 335 2HD2 LEU 42 2HD2 LEU 42 -0.305 0.173 4.481 336 3HD2 LEU 42 3HD2 LEU 42 -1.059 0.523 6.037 337 H LEU 43 H LEU 43 4.041 -0.580 7.656 338 HA LEU 43 HA LEU 43 2.749 -2.896 8.675 339 1HB LEU 43 2HB LEU 43 4.852 -2.837 7.374 340 2HB LEU 43 1HB LEU 43 5.672 -2.086 8.743 341 HG LEU 43 HG LEU 43 4.507 -4.265 9.932 342 1HD1 LEU 43 1HD1 LEU 43 3.742 -5.408 8.036 343 2HD1 LEU 43 2HD1 LEU 43 5.332 -6.129 8.282 344 3HD1 LEU 43 3HD1 LEU 43 5.107 -4.888 7.049 345 1HD2 LEU 43 1HD2 LEU 43 7.190 -4.581 8.620 346 2HD2 LEU 43 2HD2 LEU 43 6.702 -4.970 10.269 347 3HD2 LEU 43 3HD2 LEU 43 6.964 -3.290 9.801 348 H GLU 44 H GLU 44 4.830 -0.521 10.375 349 HA GLU 44 HA GLU 44 4.860 -1.753 12.923 350 1HB GLU 44 2HB GLU 44 5.022 1.056 11.856 351 2HB GLU 44 1HB GLU 44 5.006 0.793 13.601 352 1HG GLU 44 2HG GLU 44 7.235 0.455 13.423 353 2HG GLU 44 1HG GLU 44 6.823 -1.097 12.692 354 H LEU 45 H LEU 45 2.334 -0.088 11.225 355 HA LEU 45 HA LEU 45 0.644 0.078 13.671 356 1HB LEU 45 2HB LEU 45 0.253 2.067 12.645 357 2HB LEU 45 1HB LEU 45 1.021 1.522 11.159 358 HG LEU 45 HG LEU 45 -1.148 0.254 10.666 359 1HD1 LEU 45 1HD1 LEU 45 -1.801 0.748 13.221 360 2HD1 LEU 45 2HD1 LEU 45 -3.029 0.582 11.964 361 3HD1 LEU 45 3HD1 LEU 45 -2.513 2.186 12.490 362 1HD2 LEU 45 1HD2 LEU 45 -2.352 2.597 10.239 363 2HD2 LEU 45 2HD2 LEU 45 -0.921 2.123 9.321 364 3HD2 LEU 45 3HD2 LEU 45 -0.765 3.221 10.693 365 H GLY 46 H GLY 46 1.357 -2.175 11.343 366 1HA GLY 46 2HA GLY 46 0.215 -4.049 10.501 367 2HA GLY 46 1HA GLY 46 -0.815 -3.894 11.928 368 H LEU 47 H LEU 47 -0.329 -1.670 9.216 369 HA LEU 47 HA LEU 47 -2.073 -0.339 8.230 370 1HB LEU 47 2HB LEU 47 -3.105 -2.106 6.508 371 2HB LEU 47 1HB LEU 47 -1.453 -1.533 6.383 372 HG LEU 47 HG LEU 47 -1.664 -3.996 6.118 373 1HD1 LEU 47 1HD1 LEU 47 0.408 -4.193 6.942 374 2HD1 LEU 47 2HD1 LEU 47 -0.164 -4.008 8.600 375 3HD1 LEU 47 3HD1 LEU 47 0.207 -2.582 7.631 376 1HD2 LEU 47 1HD2 LEU 47 -2.949 -5.204 7.493 377 2HD2 LEU 47 2HD2 LEU 47 -3.336 -3.749 8.404 378 3HD2 LEU 47 3HD2 LEU 47 -1.952 -4.737 8.867 379 H ARG 48 H ARG 48 -3.165 -0.958 10.731 380 HA ARG 48 HA ARG 48 -5.735 -2.301 10.448 381 1HB ARG 48 2HB ARG 48 -4.093 -0.982 12.489 382 2HB ARG 48 1HB ARG 48 -5.818 -0.680 12.705 383 1HG ARG 48 2HG ARG 48 -5.593 -3.412 12.035 384 2HG ARG 48 1HG ARG 48 -4.328 -3.100 13.224 385 1HD ARG 48 2HD ARG 48 -6.136 -3.531 14.639 386 2HD ARG 48 1HD ARG 48 -6.306 -1.775 14.446 387 HE ARG 48 HE ARG 48 -7.637 -3.219 12.310 388 1HH1 ARG 48 1HH1 ARG 48 -8.644 -0.711 13.657 389 2HH1 ARG 48 2HH1 ARG 48 -10.026 -1.305 14.517 390 1HH2 ARG 48 1HH2 ARG 48 -9.088 -4.634 14.254 391 2HH2 ARG 48 2HH2 ARG 48 -10.278 -3.527 14.854 392 H VAL 49 H VAL 49 -5.543 0.940 11.804 393 HA VAL 49 HA VAL 49 -7.970 1.858 10.662 394 HB VAL 49 HB VAL 49 -6.611 2.772 12.609 395 1HG1 VAL 49 1HG1 VAL 49 -5.166 4.647 10.894 396 2HG1 VAL 49 2HG1 VAL 49 -4.634 2.982 10.662 397 3HG1 VAL 49 3HG1 VAL 49 -4.582 3.710 12.268 398 1HG2 VAL 49 1HG2 VAL 49 -6.977 5.270 11.438 399 2HG2 VAL 49 2HG2 VAL 49 -8.208 4.350 12.306 400 3HG2 VAL 49 3HG2 VAL 49 -8.092 4.231 10.549 401 H TYR 50 H TYR 50 -4.832 1.500 9.256 402 HA TYR 50 HA TYR 50 -5.055 3.519 7.189 403 1HB TYR 50 2HB TYR 50 -2.927 2.569 7.956 404 2HB TYR 50 1HB TYR 50 -3.440 0.959 7.446 405 HD1 TYR 50 1HD TYR 50 -2.293 4.271 6.320 406 HD2 TYR 50 2HD TYR 50 -3.578 0.366 5.076 407 HE1 TYR 50 1HE TYR 50 -1.435 4.716 4.036 408 HE2 TYR 50 2HE TYR 50 -2.721 0.811 2.792 409 HH TYR 50 HH TYR 50 -1.755 2.280 1.447 410 H GLU 51 H GLU 51 -5.436 -0.059 7.105 411 HA GLU 51 HA GLU 51 -6.457 -0.097 4.421 412 1HB GLU 51 2HB GLU 51 -5.417 -1.841 6.253 413 2HB GLU 51 1HB GLU 51 -7.124 -2.270 6.299 414 1HG GLU 51 2HG GLU 51 -6.269 -1.856 3.573 415 2HG GLU 51 1HG GLU 51 -5.230 -3.039 4.365 416 H ALA 52 H ALA 52 -7.840 0.983 7.287 417 HA ALA 52 HA ALA 52 -10.552 -0.031 6.938 418 1HB ALA 52 1HB ALA 52 -8.973 1.452 8.822 419 2HB ALA 52 2HB ALA 52 -10.546 0.695 9.075 420 3HB ALA 52 3HB ALA 52 -10.450 2.357 8.493 421 H GLN 53 H GLN 53 -8.960 3.129 6.357 422 HA GLN 53 HA GLN 53 -11.116 4.641 5.439 423 1HB GLN 53 2HB GLN 53 -9.442 5.957 4.347 424 2HB GLN 53 1HB GLN 53 -8.630 5.211 5.723 425 1HG GLN 53 2HG GLN 53 -7.762 3.431 4.255 426 2HG GLN 53 1HG GLN 53 -8.578 4.168 2.876 427 1HE2 GLN 53 1HE2 GLN 53 -7.765 6.281 2.120 428 2HE2 GLN 53 2HE2 GLN 53 -6.206 6.806 2.536 429 H MET 54 H MET 54 -9.353 2.091 3.721 430 HA MET 54 HA MET 54 -10.646 2.565 1.155 431 1HB MET 54 2HB MET 54 -8.800 0.612 2.441 432 2HB MET 54 1HB MET 54 -9.681 0.044 1.022 433 1HG MET 54 2HG MET 54 -8.167 2.662 1.057 434 2HG MET 54 1HG MET 54 -7.427 1.142 0.553 435 1HE MET 54 1HE MET 54 -6.924 0.915 -1.345 436 2HE MET 54 2HE MET 54 -7.147 2.374 -2.308 437 3HE MET 54 3HE MET 54 -7.898 0.865 -2.822 438 H GLU 55 H GLU 55 -11.512 0.904 4.075 439 HA GLU 55 HA GLU 55 -13.608 -0.692 2.677 440 1HB GLU 55 2HB GLU 55 -11.963 -1.644 4.376 441 2HB GLU 55 1HB GLU 55 -12.797 -0.681 5.598 442 1HG GLU 55 2HG GLU 55 -14.749 -1.932 5.451 443 2HG GLU 55 1HG GLU 55 -14.419 -2.445 3.796 444 H ARG 56 H ARG 56 -15.794 -0.710 3.820 445 HA ARG 56 HA ARG 56 -17.038 1.797 3.874 446 1HB ARG 56 2HB ARG 56 -17.568 -0.923 5.007 447 2HB ARG 56 1HB ARG 56 -18.625 0.398 5.507 448 1HG ARG 56 2HG ARG 56 -19.739 0.231 3.563 449 2HG ARG 56 1HG ARG 56 -18.256 0.625 2.693 450 1HD ARG 56 2HD ARG 56 -17.606 -1.743 2.662 451 2HD ARG 56 1HD ARG 56 -19.054 -2.166 3.598 452 HE ARG 56 HE ARG 56 -20.427 -1.452 1.693 453 1HH1 ARG 56 1HH1 ARG 56 -18.067 -3.307 0.731 454 2HH1 ARG 56 2HH1 ARG 56 -17.707 -2.541 -0.781 455 1HH2 ARG 56 1HH2 ARG 56 -19.520 0.326 -0.060 456 2HH2 ARG 56 2HH2 ARG 56 -18.529 -0.484 -1.228 Start of MODEL 13 1 1H ALA 2 1H ALA 2 -2.142 -26.806 3.870 2 2H ALA 2 2H ALA 2 -3.800 -26.753 4.241 3 3H ALA 2 3H ALA 2 -2.873 -25.330 4.272 4 HA ALA 2 HA ALA 2 -2.421 -25.859 1.789 5 1HB ALA 2 1HB ALA 2 -3.586 -27.624 0.970 6 2HB ALA 2 2HB ALA 2 -5.082 -27.069 1.724 7 3HB ALA 2 3HB ALA 2 -3.936 -28.042 2.647 8 H LYS 3 H LYS 3 -5.203 -25.219 3.898 9 HA LYS 3 HA LYS 3 -6.131 -23.076 2.040 10 1HB LYS 3 2HB LYS 3 -7.285 -24.831 4.148 11 2HB LYS 3 1HB LYS 3 -7.977 -23.212 4.021 12 1HG LYS 3 2HG LYS 3 -9.289 -24.377 2.490 13 2HG LYS 3 1HG LYS 3 -8.013 -23.757 1.440 14 1HD LYS 3 2HD LYS 3 -6.809 -25.873 1.580 15 2HD LYS 3 1HD LYS 3 -7.991 -26.499 2.732 16 1HE LYS 3 2HE LYS 3 -9.024 -25.481 0.112 17 2HE LYS 3 1HE LYS 3 -8.208 -27.058 0.132 18 1HZ LYS 3 1HZ LYS 3 -9.622 -27.441 2.235 19 2HZ LYS 3 2HZ LYS 3 -10.365 -27.607 0.717 20 3HZ LYS 3 3HZ LYS 3 -10.598 -26.193 1.629 21 H VAL 4 H VAL 4 -3.740 -22.445 3.335 22 HA VAL 4 HA VAL 4 -4.617 -20.546 5.488 23 HB VAL 4 HB VAL 4 -2.412 -20.902 6.454 24 1HG1 VAL 4 1HG1 VAL 4 -2.870 -22.974 7.310 25 2HG1 VAL 4 2HG1 VAL 4 -3.055 -23.705 5.715 26 3HG1 VAL 4 3HG1 VAL 4 -4.375 -22.767 6.413 27 1HG2 VAL 4 1HG2 VAL 4 -1.778 -21.654 3.765 28 2HG2 VAL 4 2HG2 VAL 4 -1.397 -23.015 4.818 29 3HG2 VAL 4 3HG2 VAL 4 -0.674 -21.437 5.123 30 H GLN 5 H GLN 5 -4.714 -19.870 2.687 31 HA GLN 5 HA GLN 5 -3.851 -18.297 1.131 32 1HB GLN 5 2HB GLN 5 -3.324 -17.103 3.869 33 2HB GLN 5 1HB GLN 5 -3.239 -16.179 2.368 34 1HG GLN 5 2HG GLN 5 -5.627 -17.076 1.920 35 2HG GLN 5 1HG GLN 5 -5.646 -17.476 3.638 36 1HE2 GLN 5 1HE2 GLN 5 -6.220 -14.956 1.408 37 2HE2 GLN 5 2HE2 GLN 5 -6.255 -13.667 2.512 38 H ALA 6 H ALA 6 -1.685 -16.615 1.158 39 HA ALA 6 HA ALA 6 0.652 -18.459 1.548 40 1HB ALA 6 1HB ALA 6 -0.382 -16.892 -0.723 41 2HB ALA 6 2HB ALA 6 0.661 -18.313 -0.724 42 3HB ALA 6 3HB ALA 6 1.352 -16.712 -0.456 43 H TYR 7 H TYR 7 0.847 -17.359 3.699 44 HA TYR 7 HA TYR 7 1.626 -15.623 5.127 45 1HB TYR 7 2HB TYR 7 3.457 -15.846 2.742 46 2HB TYR 7 1HB TYR 7 3.831 -14.725 4.051 47 HD1 TYR 7 1HD TYR 7 4.584 -17.872 2.907 48 HD2 TYR 7 2HD TYR 7 3.255 -15.927 6.498 49 HE1 TYR 7 1HE TYR 7 5.487 -19.746 4.256 50 HE2 TYR 7 2HE TYR 7 4.159 -17.802 7.847 51 HH TYR 7 HH TYR 7 6.042 -20.395 6.360 52 H VAL 8 H VAL 8 -0.462 -14.377 4.429 53 HA VAL 8 HA VAL 8 -1.479 -12.353 3.744 54 HB VAL 8 HB VAL 8 1.396 -11.576 4.321 55 1HG1 VAL 8 1HG1 VAL 8 -1.074 -9.860 3.932 56 2HG1 VAL 8 2HG1 VAL 8 0.408 -9.817 2.975 57 3HG1 VAL 8 3HG1 VAL 8 0.427 -9.277 4.655 58 1HG2 VAL 8 1HG2 VAL 8 0.513 -12.360 6.330 59 2HG2 VAL 8 2HG2 VAL 8 -1.129 -11.865 5.920 60 3HG2 VAL 8 3HG2 VAL 8 0.061 -10.658 6.408 61 H SER 9 H SER 9 -2.004 -12.616 1.550 62 HA SER 9 HA SER 9 -0.373 -12.906 -0.675 63 1HB SER 9 2HB SER 9 -2.570 -12.956 -1.294 64 2HB SER 9 1HB SER 9 -3.036 -11.805 -0.047 65 HG SER 9 HG SER 9 -2.830 -11.330 -2.582 66 H ASP 10 H ASP 10 0.713 -11.452 -2.092 67 HA ASP 10 HA ASP 10 1.907 -9.129 -0.874 68 1HB ASP 10 2HB ASP 10 2.968 -8.938 -3.106 69 2HB ASP 10 1HB ASP 10 3.011 -10.599 -2.515 70 H GLU 11 H GLU 11 -1.144 -9.533 -2.182 71 HA GLU 11 HA GLU 11 -1.720 -7.453 -3.904 72 1HB GLU 11 2HB GLU 11 -3.068 -8.906 -1.724 73 2HB GLU 11 1HB GLU 11 -3.789 -7.336 -2.085 74 1HG GLU 11 2HG GLU 11 -3.106 -8.773 -4.523 75 2HG GLU 11 1HG GLU 11 -4.200 -9.712 -3.506 76 H ILE 12 H ILE 12 -0.779 -7.177 -0.524 77 HA ILE 12 HA ILE 12 -1.591 -4.407 -0.188 78 HB ILE 12 HB ILE 12 0.230 -6.356 1.233 79 1HG1 ILE 12 2HG1 ILE 12 -2.326 -6.491 1.310 80 2HG1 ILE 12 1HG1 ILE 12 -1.513 -6.401 2.872 81 1HG2 ILE 12 1HG2 ILE 12 0.355 -4.626 3.058 82 2HG2 ILE 12 2HG2 ILE 12 -0.329 -3.458 1.927 83 3HG2 ILE 12 3HG2 ILE 12 1.243 -4.186 1.599 84 1HD1 ILE 12 1HD1 ILE 12 -2.086 -3.757 1.765 85 2HD1 ILE 12 2HD1 ILE 12 -2.463 -4.410 3.360 86 3HD1 ILE 12 3HD1 ILE 12 -3.547 -4.716 2.003 87 H VAL 13 H VAL 13 1.171 -6.000 -1.604 88 HA VAL 13 HA VAL 13 3.084 -3.857 -1.341 89 HB VAL 13 HB VAL 13 2.762 -6.115 -3.345 90 1HG1 VAL 13 1HG1 VAL 13 4.814 -3.998 -2.981 91 2HG1 VAL 13 2HG1 VAL 13 4.369 -4.897 -4.432 92 3HG1 VAL 13 3HG1 VAL 13 5.424 -5.635 -3.227 93 1HG2 VAL 13 1HG2 VAL 13 3.513 -6.012 -0.562 94 2HG2 VAL 13 2HG2 VAL 13 4.898 -6.528 -1.525 95 3HG2 VAL 13 3HG2 VAL 13 3.380 -7.421 -1.613 96 H TYR 14 H TYR 14 0.563 -4.600 -3.718 97 HA TYR 14 HA TYR 14 1.401 -2.648 -5.685 98 1HB TYR 14 2HB TYR 14 -0.193 -4.744 -5.766 99 2HB TYR 14 1HB TYR 14 -1.431 -3.580 -5.290 100 HD1 TYR 14 1HD TYR 14 -1.473 -1.335 -6.670 101 HD2 TYR 14 2HD TYR 14 0.325 -4.991 -8.034 102 HE1 TYR 14 1HE TYR 14 -1.622 -0.534 -9.012 103 HE2 TYR 14 2HE TYR 14 0.174 -4.190 -10.376 104 HH TYR 14 HH TYR 14 -0.212 -1.122 -11.247 105 H LYS 15 H LYS 15 -0.758 -2.567 -2.876 106 HA LYS 15 HA LYS 15 -1.880 0.049 -3.456 107 1HB LYS 15 2HB LYS 15 -1.652 -1.596 -0.915 108 2HB LYS 15 1HB LYS 15 -2.705 -0.196 -1.119 109 1HG LYS 15 2HG LYS 15 -3.334 -1.743 -3.319 110 2HG LYS 15 1HG LYS 15 -3.063 -2.952 -2.065 111 1HD LYS 15 2HD LYS 15 -4.822 -2.205 -0.765 112 2HD LYS 15 1HD LYS 15 -4.692 -0.548 -1.357 113 1HE LYS 15 2HE LYS 15 -6.252 -0.944 -2.951 114 2HE LYS 15 1HE LYS 15 -5.361 -2.365 -3.530 115 1HZ LYS 15 1HZ LYS 15 -7.099 -2.283 -1.120 116 2HZ LYS 15 2HZ LYS 15 -6.237 -3.637 -1.676 117 3HZ LYS 15 3HZ LYS 15 -7.512 -2.999 -2.601 118 H ILE 16 H ILE 16 0.615 -1.092 -1.141 119 HA ILE 16 HA ILE 16 1.345 1.233 0.149 120 HB ILE 16 HB ILE 16 3.085 -0.906 -1.115 121 1HG1 ILE 16 2HG1 ILE 16 1.282 -1.529 0.589 122 2HG1 ILE 16 1HG1 ILE 16 2.928 -2.008 1.005 123 1HG2 ILE 16 1HG2 ILE 16 4.587 0.861 -0.625 124 2HG2 ILE 16 2HG2 ILE 16 4.666 -0.183 0.794 125 3HG2 ILE 16 3HG2 ILE 16 3.717 1.304 0.844 126 1HD1 ILE 16 1HD1 ILE 16 3.140 -0.351 2.637 127 2HD1 ILE 16 2HD1 ILE 16 1.442 -0.795 2.802 128 3HD1 ILE 16 3HD1 ILE 16 1.889 0.661 1.914 129 H ASN 17 H ASN 17 2.348 0.292 -3.149 130 HA ASN 17 HA ASN 17 4.060 2.489 -3.703 131 1HB ASN 17 2HB ASN 17 2.241 0.755 -5.395 132 2HB ASN 17 1HB ASN 17 3.382 1.904 -6.096 133 1HD2 ASN 17 1HD2 ASN 17 5.740 1.579 -5.448 134 2HD2 ASN 17 2HD2 ASN 17 6.274 0.000 -5.128 135 H LYS 18 H LYS 18 0.536 2.221 -3.774 136 HA LYS 18 HA LYS 18 -0.035 4.600 -5.259 137 1HB LYS 18 2HB LYS 18 -1.550 3.171 -3.048 138 2HB LYS 18 1HB LYS 18 -2.257 4.338 -4.165 139 1HG LYS 18 2HG LYS 18 -1.569 2.876 -6.069 140 2HG LYS 18 1HG LYS 18 -0.991 1.684 -4.906 141 1HD LYS 18 2HD LYS 18 -3.205 1.001 -5.513 142 2HD LYS 18 1HD LYS 18 -3.333 1.709 -3.902 143 1HE LYS 18 2HE LYS 18 -4.847 3.191 -4.700 144 2HE LYS 18 1HE LYS 18 -3.622 3.824 -5.817 145 1HZ LYS 18 1HZ LYS 18 -4.143 1.609 -7.072 146 2HZ LYS 18 2HZ LYS 18 -5.132 2.973 -7.295 147 3HZ LYS 18 3HZ LYS 18 -5.627 1.722 -6.257 148 H ILE 19 H ILE 19 0.256 4.061 -1.725 149 HA ILE 19 HA ILE 19 -0.371 6.612 -0.766 150 HB ILE 19 HB ILE 19 1.910 4.807 0.105 151 1HG1 ILE 19 2HG1 ILE 19 -0.035 3.427 -0.004 152 2HG1 ILE 19 1HG1 ILE 19 0.082 3.926 1.684 153 1HG2 ILE 19 1HG2 ILE 19 0.268 6.920 1.523 154 2HG2 ILE 19 2HG2 ILE 19 2.013 6.912 1.264 155 3HG2 ILE 19 3HG2 ILE 19 1.280 5.752 2.372 156 1HD1 ILE 19 1HD1 ILE 19 -2.234 4.144 0.795 157 2HD1 ILE 19 2HD1 ILE 19 -1.643 5.292 -0.405 158 3HD1 ILE 19 3HD1 ILE 19 -1.568 5.694 1.309 159 H VAL 20 H VAL 20 2.945 5.509 -1.611 160 HA VAL 20 HA VAL 20 4.363 7.881 -1.369 161 HB VAL 20 HB VAL 20 4.431 5.505 -3.191 162 1HG1 VAL 20 1HG1 VAL 20 6.694 6.545 -4.030 163 2HG1 VAL 20 2HG1 VAL 20 5.914 8.080 -3.652 164 3HG1 VAL 20 3HG1 VAL 20 5.189 6.991 -4.833 165 1HG2 VAL 20 1HG2 VAL 20 5.883 6.619 -0.885 166 2HG2 VAL 20 2HG2 VAL 20 6.911 5.865 -2.105 167 3HG2 VAL 20 3HG2 VAL 20 5.617 4.938 -1.344 168 H GLU 21 H GLU 21 3.229 6.842 -4.577 169 HA GLU 21 HA GLU 21 3.415 9.143 -6.044 170 1HB GLU 21 2HB GLU 21 1.684 6.787 -5.968 171 2HB GLU 21 1HB GLU 21 0.897 8.171 -6.729 172 1HG GLU 21 2HG GLU 21 3.636 7.999 -7.617 173 2HG GLU 21 1HG GLU 21 2.823 6.457 -7.883 174 H ARG 22 H ARG 22 0.809 8.454 -3.705 175 HA ARG 22 HA ARG 22 -0.692 10.867 -4.221 176 1HB ARG 22 2HB ARG 22 -1.015 8.520 -2.829 177 2HB ARG 22 1HB ARG 22 -0.766 9.674 -1.518 178 1HG ARG 22 2HG ARG 22 -2.739 10.749 -1.914 179 2HG ARG 22 1HG ARG 22 -2.591 10.583 -3.664 180 1HD ARG 22 2HD ARG 22 -4.055 8.858 -3.597 181 2HD ARG 22 1HD ARG 22 -2.922 7.958 -2.568 182 HE ARG 22 HE ARG 22 -4.241 8.566 -0.709 183 1HH1 ARG 22 1HH2 ARG 22 -6.436 9.127 -2.806 184 2HH1 ARG 22 2HH2 ARG 22 -6.973 10.690 -2.289 185 1HH2 ARG 22 1HH1 ARG 22 -4.207 11.264 -0.276 186 2HH2 ARG 22 2HH1 ARG 22 -5.710 11.901 -0.857 187 H ARG 23 H ARG 23 1.917 10.031 -1.950 188 HA ARG 23 HA ARG 23 1.930 12.204 -0.215 189 1HB ARG 23 2HB ARG 23 3.671 10.166 -1.080 190 2HB ARG 23 1HB ARG 23 4.587 11.664 -1.254 191 1HG ARG 23 2HG ARG 23 3.601 12.183 1.141 192 2HG ARG 23 1HG ARG 23 3.427 10.430 1.221 193 1HD ARG 23 2HD ARG 23 5.974 10.651 0.232 194 2HD ARG 23 1HD ARG 23 5.884 12.068 1.297 195 HE ARG 23 HE ARG 23 5.792 9.283 2.165 196 1HH1 ARG 23 1HH2 ARG 23 4.545 12.445 2.741 197 2HH1 ARG 23 2HH2 ARG 23 4.458 12.240 4.459 198 1HH2 ARG 23 1HH1 ARG 23 5.794 9.041 4.416 199 2HH2 ARG 23 2HH1 ARG 23 5.166 10.314 5.406 200 H ARG 24 H ARG 24 3.629 12.117 -3.381 201 HA ARG 24 HA ARG 24 4.168 14.971 -3.347 202 1HB ARG 24 2HB ARG 24 5.076 14.521 -5.553 203 2HB ARG 24 1HB ARG 24 5.480 13.149 -4.522 204 1HG ARG 24 2HG ARG 24 4.499 11.829 -6.064 205 2HG ARG 24 1HG ARG 24 2.958 12.526 -5.565 206 1HD ARG 24 2HD ARG 24 3.336 14.391 -7.219 207 2HD ARG 24 1HD ARG 24 4.756 13.502 -7.807 208 HE ARG 24 HE ARG 24 2.290 11.911 -7.642 209 1HH1 ARG 24 1HH2 ARG 24 3.000 14.499 -9.568 210 2HH1 ARG 24 2HH2 ARG 24 3.054 13.629 -11.065 211 1HH2 ARG 24 1HH1 ARG 24 2.948 10.507 -9.557 212 2HH2 ARG 24 2HH1 ARG 24 3.025 11.367 -11.059 213 H ALA 25 H ALA 25 1.533 12.957 -4.461 214 HA ALA 25 HA ALA 25 0.337 14.867 -6.275 215 1HB ALA 25 1HB ALA 25 -0.035 12.233 -5.509 216 2HB ALA 25 2HB ALA 25 -1.145 13.147 -6.531 217 3HB ALA 25 3HB ALA 25 -1.433 13.033 -4.794 218 H GLU 26 H GLU 26 0.459 14.484 -2.826 219 HA GLU 26 HA GLU 26 -1.775 16.314 -2.333 220 1HB GLU 26 2HB GLU 26 -1.758 14.524 -0.839 221 2HB GLU 26 1HB GLU 26 0.002 14.440 -0.814 222 1HG GLU 26 2HG GLU 26 0.127 15.823 0.957 223 2HG GLU 26 1HG GLU 26 -0.965 16.980 0.205 224 H GLY 27 H GLY 27 1.771 16.259 -2.316 225 1HA GLY 27 2HA GLY 27 2.577 18.710 -2.744 226 2HA GLY 27 1HA GLY 27 1.773 19.034 -1.209 227 H ALA 28 H ALA 28 3.651 16.150 -2.060 228 HA ALA 28 HA ALA 28 5.088 16.007 0.376 229 1HB ALA 28 1HB ALA 28 6.250 15.111 -2.246 230 2HB ALA 28 2HB ALA 28 4.750 14.384 -1.671 231 3HB ALA 28 3HB ALA 28 6.215 14.263 -0.700 232 H LYS 29 H LYS 29 7.794 15.806 -0.515 233 HA LYS 29 HA LYS 29 8.465 18.673 -1.097 234 1HB LYS 29 2HB LYS 29 8.836 17.130 1.255 235 2HB LYS 29 1HB LYS 29 10.432 17.326 0.529 236 1HG LYS 29 2HG LYS 29 8.654 19.723 0.652 237 2HG LYS 29 1HG LYS 29 9.419 19.184 2.148 238 1HD LYS 29 2HD LYS 29 11.462 19.890 1.482 239 2HD LYS 29 1HD LYS 29 11.262 19.198 -0.129 240 1HE LYS 29 2HE LYS 29 11.443 21.637 -0.320 241 2HE LYS 29 1HE LYS 29 9.779 21.155 -0.711 242 1HZ LYS 29 1HZ LYS 29 9.534 21.363 1.886 243 2HZ LYS 29 2HZ LYS 29 9.351 22.716 0.874 244 3HZ LYS 29 3HZ LYS 29 10.814 22.461 1.698 245 H SER 30 H SER 30 9.538 15.275 -1.238 246 HA SER 30 HA SER 30 10.841 15.727 -3.815 247 1HB SER 30 2HB SER 30 12.476 16.706 -2.282 248 2HB SER 30 1HB SER 30 12.452 15.252 -1.288 249 HG SER 30 HG SER 30 14.008 14.641 -2.566 250 H THR 31 H THR 31 12.519 13.548 -3.902 251 HA THR 31 HA THR 31 10.613 11.311 -3.836 252 HB THR 31 HB THR 31 13.037 10.316 -4.643 253 HG1 THR 31 1HG THR 31 13.032 12.932 -5.643 254 1HG2 THR 31 1HG2 THR 31 10.612 10.877 -5.780 255 2HG2 THR 31 2HG2 THR 31 11.987 10.205 -6.654 256 3HG2 THR 31 3HG2 THR 31 11.680 11.942 -6.694 257 H ASP 32 H ASP 32 12.119 12.622 -1.353 258 HA ASP 32 HA ASP 32 13.840 10.697 -0.188 259 1HB ASP 32 2HB ASP 32 13.146 11.809 1.928 260 2HB ASP 32 1HB ASP 32 13.457 12.982 0.648 261 H VAL 33 H VAL 33 10.427 10.563 -0.765 262 HA VAL 33 HA VAL 33 9.956 8.461 1.266 263 HB VAL 33 HB VAL 33 8.224 9.779 -0.852 264 1HG1 VAL 33 1HG1 VAL 33 7.500 7.950 1.458 265 2HG1 VAL 33 2HG1 VAL 33 7.367 7.561 -0.257 266 3HG1 VAL 33 3HG1 VAL 33 6.339 8.809 0.446 267 1HG2 VAL 33 1HG2 VAL 33 7.758 11.395 0.681 268 2HG2 VAL 33 2HG2 VAL 33 9.254 10.873 1.455 269 3HG2 VAL 33 3HG2 VAL 33 7.707 10.240 2.014 270 H SER 34 H SER 34 8.749 6.453 0.412 271 HA SER 34 HA SER 34 8.912 5.550 -2.275 272 1HB SER 34 2HB SER 34 10.998 4.057 -1.871 273 2HB SER 34 1HB SER 34 11.268 5.769 -2.184 274 HG SER 34 HG SER 34 12.039 4.387 -0.099 275 H PHE 35 H PHE 35 8.935 2.999 -2.289 276 HA PHE 35 HA PHE 35 6.830 1.970 -0.783 277 1HB PHE 35 2HB PHE 35 7.939 0.930 -2.751 278 2HB PHE 35 1HB PHE 35 9.325 0.528 -1.737 279 HD1 PHE 35 1HD PHE 35 9.053 -1.055 0.185 280 HD2 PHE 35 2HD PHE 35 5.922 -0.360 -2.672 281 HE1 PHE 35 1HE PHE 35 7.909 -3.125 0.934 282 HE2 PHE 35 2HE PHE 35 4.778 -2.429 -1.923 283 HZ PHE 35 HZ PHE 35 5.771 -3.812 -0.119 284 H SER 36 H SER 36 10.239 1.108 -0.080 285 HA SER 36 HA SER 36 9.988 -0.080 2.393 286 1HB SER 36 2HB SER 36 12.242 1.236 2.817 287 2HB SER 36 1HB SER 36 12.146 0.055 1.513 288 HG SER 36 HG SER 36 12.593 2.699 1.386 289 H SER 37 H SER 37 10.049 3.441 1.788 290 HA SER 37 HA SER 37 9.831 4.190 4.574 291 1HB SER 37 2HB SER 37 9.481 5.497 1.886 292 2HB SER 37 1HB SER 37 9.043 6.375 3.348 293 HG SER 37 HG SER 37 11.555 5.218 2.699 294 H ILE 38 H ILE 38 7.427 4.170 1.901 295 HA ILE 38 HA ILE 38 5.185 4.822 3.585 296 HB ILE 38 HB ILE 38 5.572 3.586 0.850 297 1HG1 ILE 38 2HG1 ILE 38 6.159 5.918 0.949 298 2HG1 ILE 38 1HG1 ILE 38 4.568 5.826 0.191 299 1HG2 ILE 38 1HG2 ILE 38 3.386 2.888 2.074 300 2HG2 ILE 38 2HG2 ILE 38 3.253 3.567 0.455 301 3HG2 ILE 38 3HG2 ILE 38 2.911 4.573 1.862 302 1HD1 ILE 38 1HD1 ILE 38 3.733 6.058 2.698 303 2HD1 ILE 38 2HD1 ILE 38 4.169 7.482 1.754 304 3HD1 ILE 38 3HD1 ILE 38 5.314 6.809 2.915 305 H SER 39 H SER 39 6.888 1.847 3.002 306 HA SER 39 HA SER 39 4.690 0.055 3.664 307 1HB SER 39 2HB SER 39 7.373 -0.054 2.729 308 2HB SER 39 1HB SER 39 7.307 -1.026 4.195 309 HG SER 39 HG SER 39 5.970 -2.386 3.245 310 H THR 40 H THR 40 7.685 0.868 5.451 311 HA THR 40 HA THR 40 7.089 -0.304 7.915 312 HB THR 40 HB THR 40 8.455 2.360 7.434 313 HG1 THR 40 1HG THR 40 9.321 -0.315 7.113 314 1HG2 THR 40 1HG2 THR 40 8.603 0.256 9.593 315 2HG2 THR 40 2HG2 THR 40 8.298 1.984 9.769 316 3HG2 THR 40 3HG2 THR 40 9.908 1.413 9.332 317 H MET 41 H MET 41 6.408 3.128 7.047 318 HA MET 41 HA MET 41 5.182 3.992 9.377 319 1HB MET 41 2HB MET 41 4.218 5.670 8.016 320 2HB MET 41 1HB MET 41 5.626 5.140 7.097 321 1HG MET 41 2HG MET 41 4.192 3.643 5.764 322 2HG MET 41 1HG MET 41 2.782 4.170 6.681 323 1HE MET 41 1HE MET 41 1.666 4.706 4.327 324 2HE MET 41 2HE MET 41 1.462 6.450 4.191 325 3HE MET 41 3HE MET 41 1.240 5.664 5.751 326 H LEU 42 H LEU 42 3.578 2.150 6.753 327 HA LEU 42 HA LEU 42 0.984 2.100 8.009 328 1HB LEU 42 2HB LEU 42 2.412 0.910 5.729 329 2HB LEU 42 1HB LEU 42 1.154 -0.133 6.392 330 HG LEU 42 HG LEU 42 0.362 2.694 6.120 331 1HD1 LEU 42 1HD1 LEU 42 -0.021 2.392 3.632 332 2HD1 LEU 42 2HD1 LEU 42 1.051 0.993 3.709 333 3HD1 LEU 42 3HD1 LEU 42 1.669 2.599 4.097 334 1HD2 LEU 42 1HD2 LEU 42 -1.267 0.798 4.708 335 2HD2 LEU 42 2HD2 LEU 42 -1.632 1.648 6.209 336 3HD2 LEU 42 3HD2 LEU 42 -0.799 0.095 6.255 337 H LEU 43 H LEU 43 3.496 -0.450 7.743 338 HA LEU 43 HA LEU 43 2.254 -2.381 9.387 339 1HB LEU 43 2HB LEU 43 4.309 -2.563 7.908 340 2HB LEU 43 1HB LEU 43 5.220 -1.792 9.209 341 HG LEU 43 HG LEU 43 3.894 -3.733 10.593 342 1HD1 LEU 43 1HD1 LEU 43 4.601 -5.741 8.894 343 2HD1 LEU 43 2HD1 LEU 43 4.033 -4.532 7.743 344 3HD1 LEU 43 3HD1 LEU 43 2.962 -5.103 9.022 345 1HD2 LEU 43 1HD2 LEU 43 6.153 -3.651 11.041 346 2HD2 LEU 43 2HD2 LEU 43 6.590 -3.479 9.341 347 3HD2 LEU 43 3HD2 LEU 43 6.161 -5.063 9.986 348 H GLU 44 H GLU 44 4.010 0.541 10.287 349 HA GLU 44 HA GLU 44 4.545 -0.133 13.029 350 1HB GLU 44 2HB GLU 44 4.683 2.121 11.221 351 2HB GLU 44 1HB GLU 44 4.022 2.643 12.770 352 1HG GLU 44 2HG GLU 44 6.065 1.001 13.575 353 2HG GLU 44 1HG GLU 44 6.740 1.712 12.109 354 H LEU 45 H LEU 45 1.706 0.834 11.291 355 HA LEU 45 HA LEU 45 0.170 1.326 13.795 356 1HB LEU 45 2HB LEU 45 0.013 2.006 10.900 357 2HB LEU 45 1HB LEU 45 -1.525 1.799 11.739 358 HG LEU 45 HG LEU 45 -0.010 3.307 13.519 359 1HD1 LEU 45 1HD1 LEU 45 0.502 4.163 10.658 360 2HD1 LEU 45 2HD1 LEU 45 1.703 3.779 11.890 361 3HD1 LEU 45 3HD1 LEU 45 0.718 5.233 12.043 362 1HD2 LEU 45 1HD2 LEU 45 -2.292 3.815 13.248 363 2HD2 LEU 45 2HD2 LEU 45 -2.153 3.932 11.494 364 3HD2 LEU 45 3HD2 LEU 45 -1.496 5.209 12.518 365 H GLY 46 H GLY 46 0.947 -1.210 11.709 366 1HA GLY 46 2HA GLY 46 0.117 -3.451 11.971 367 2HA GLY 46 1HA GLY 46 -1.343 -2.796 12.717 368 H LEU 47 H LEU 47 -0.893 -0.839 10.156 369 HA LEU 47 HA LEU 47 -1.655 -0.794 7.911 370 1HB LEU 47 2HB LEU 47 -0.832 -3.389 8.324 371 2HB LEU 47 1HB LEU 47 -2.521 -3.609 7.864 372 HG LEU 47 HG LEU 47 -0.741 -1.766 6.282 373 1HD1 LEU 47 1HD1 LEU 47 0.305 -3.462 5.182 374 2HD1 LEU 47 2HD1 LEU 47 -1.112 -4.509 5.247 375 3HD1 LEU 47 3HD1 LEU 47 -0.041 -4.385 6.643 376 1HD2 LEU 47 1HD2 LEU 47 -2.411 -1.914 4.676 377 2HD2 LEU 47 2HD2 LEU 47 -3.374 -2.116 6.141 378 3HD2 LEU 47 3HD2 LEU 47 -2.907 -3.526 5.191 379 H ARG 48 H ARG 48 -3.545 -2.191 10.515 380 HA ARG 48 HA ARG 48 -6.094 -2.145 9.125 381 1HB ARG 48 2HB ARG 48 -6.956 -2.578 11.390 382 2HB ARG 48 1HB ARG 48 -5.535 -3.575 11.078 383 1HG ARG 48 2HG ARG 48 -4.850 -2.745 13.094 384 2HG ARG 48 1HG ARG 48 -4.344 -1.369 12.116 385 1HD ARG 48 2HD ARG 48 -5.659 -0.520 13.982 386 2HD ARG 48 1HD ARG 48 -6.648 -0.364 12.516 387 HE ARG 48 HE ARG 48 -7.575 -2.689 13.207 388 1HH1 ARG 48 1HH2 ARG 48 -5.803 -2.518 15.749 389 2HH1 ARG 48 2HH2 ARG 48 -7.001 -2.095 16.926 390 1HH2 ARG 48 1HH1 ARG 48 -9.381 -1.193 14.572 391 2HH2 ARG 48 2HH1 ARG 48 -9.024 -1.345 16.261 392 H VAL 49 H VAL 49 -4.251 0.163 11.065 393 HA VAL 49 HA VAL 49 -6.300 2.033 11.678 394 HB VAL 49 HB VAL 49 -3.368 2.437 11.001 395 1HG1 VAL 49 1HG1 VAL 49 -4.099 4.245 12.966 396 2HG1 VAL 49 2HG1 VAL 49 -5.500 4.239 11.897 397 3HG1 VAL 49 3HG1 VAL 49 -3.902 4.622 11.254 398 1HG2 VAL 49 1HG2 VAL 49 -4.384 2.321 13.797 399 2HG2 VAL 49 2HG2 VAL 49 -2.855 1.743 13.131 400 3HG2 VAL 49 3HG2 VAL 49 -4.328 0.795 12.914 401 H TYR 50 H TYR 50 -3.868 2.425 9.079 402 HA TYR 50 HA TYR 50 -4.927 4.519 7.646 403 1HB TYR 50 2HB TYR 50 -2.871 3.364 7.058 404 2HB TYR 50 1HB TYR 50 -3.765 1.898 6.653 405 HD1 TYR 50 1HD TYR 50 -4.476 1.541 4.451 406 HD2 TYR 50 2HD TYR 50 -3.546 5.527 5.751 407 HE1 TYR 50 1HE TYR 50 -4.794 2.373 2.135 408 HE2 TYR 50 2HE TYR 50 -3.862 6.357 3.437 409 HH TYR 50 HH TYR 50 -4.287 4.173 0.744 410 H GLU 51 H GLU 51 -5.749 1.111 6.845 411 HA GLU 51 HA GLU 51 -7.869 1.688 5.070 412 1HB GLU 51 2HB GLU 51 -6.484 -0.469 5.956 413 2HB GLU 51 1HB GLU 51 -8.009 -0.715 6.801 414 1HG GLU 51 2HG GLU 51 -8.519 0.090 4.082 415 2HG GLU 51 1HG GLU 51 -7.436 -1.301 4.099 416 H ALA 52 H ALA 52 -7.852 1.276 8.604 417 HA ALA 52 HA ALA 52 -10.720 1.287 8.936 418 1HB ALA 52 1HB ALA 52 -8.452 2.037 10.810 419 2HB ALA 52 2HB ALA 52 -9.079 0.406 10.565 420 3HB ALA 52 3HB ALA 52 -10.098 1.641 11.305 421 H GLN 53 H GLN 53 -8.228 3.839 9.172 422 HA GLN 53 HA GLN 53 -9.852 5.983 10.027 423 1HB GLN 53 2HB GLN 53 -7.321 5.574 8.524 424 2HB GLN 53 1HB GLN 53 -8.049 7.175 8.389 425 1HG GLN 53 2HG GLN 53 -8.119 6.216 11.133 426 2HG GLN 53 1HG GLN 53 -6.471 6.241 10.506 427 1HE2 GLN 53 1HE2 GLN 53 -8.457 8.158 12.234 428 2HE2 GLN 53 2HE2 GLN 53 -7.985 9.689 11.674 429 H MET 54 H MET 54 -9.890 4.289 7.014 430 HA MET 54 HA MET 54 -11.051 6.489 5.451 431 1HB MET 54 2HB MET 54 -10.672 3.514 4.989 432 2HB MET 54 1HB MET 54 -11.250 4.639 3.760 433 1HG MET 54 2HG MET 54 -8.843 5.640 5.042 434 2HG MET 54 1HG MET 54 -8.574 4.042 4.345 435 1HE MET 54 1HE MET 54 -8.855 3.341 2.106 436 2HE MET 54 2HE MET 54 -9.255 4.304 0.687 437 3HE MET 54 3HE MET 54 -10.518 3.883 1.841 438 H GLU 55 H GLU 55 -12.206 3.919 7.505 439 HA GLU 55 HA GLU 55 -15.011 4.742 6.890 440 1HB GLU 55 2HB GLU 55 -15.596 2.302 6.874 441 2HB GLU 55 1HB GLU 55 -14.516 2.759 5.556 442 1HG GLU 55 2HG GLU 55 -12.676 1.707 6.514 443 2HG GLU 55 1HG GLU 55 -13.329 1.830 8.149 444 H ARG 56 H ARG 56 -16.522 3.815 8.631 445 HA ARG 56 HA ARG 56 -17.071 3.849 10.939 446 1HB ARG 56 2HB ARG 56 -14.586 2.103 10.863 447 2HB ARG 56 1HB ARG 56 -15.809 2.085 12.135 448 1HG ARG 56 2HG ARG 56 -17.488 1.270 10.641 449 2HG ARG 56 1HG ARG 56 -16.480 1.583 9.228 450 1HD ARG 56 2HD ARG 56 -14.842 -0.120 10.070 451 2HD ARG 56 1HD ARG 56 -15.980 -0.501 11.381 452 HE ARG 56 HE ARG 56 -17.527 -0.609 9.071 453 1HH1 ARG 56 1HH2 ARG 56 -15.017 -2.313 10.656 454 2HH1 ARG 56 2HH2 ARG 56 -15.084 -3.683 9.599 455 1HH2 ARG 56 1HH1 ARG 56 -17.465 -2.284 7.501 456 2HH2 ARG 56 2HH1 ARG 56 -16.471 -3.668 7.813 Start of MODEL 14 1 1H ALA 2 1H ALA 2 -0.520 -21.055 -21.221 2 2H ALA 2 2H ALA 2 -0.453 -21.195 -19.530 3 3H ALA 2 3H ALA 2 0.978 -21.000 -20.426 4 HA ALA 2 HA ALA 2 0.275 -18.768 -21.095 5 1HB ALA 2 1HB ALA 2 -1.889 -18.474 -19.252 6 2HB ALA 2 2HB ALA 2 -2.188 -19.928 -20.204 7 3HB ALA 2 3HB ALA 2 -1.946 -18.379 -21.011 8 H LYS 3 H LYS 3 -0.906 -19.532 -17.812 9 HA LYS 3 HA LYS 3 0.398 -17.548 -16.382 10 1HB LYS 3 2HB LYS 3 -0.396 -20.391 -15.829 11 2HB LYS 3 1HB LYS 3 0.466 -19.488 -14.581 12 1HG LYS 3 2HG LYS 3 -1.708 -17.957 -15.829 13 2HG LYS 3 1HG LYS 3 -2.262 -19.407 -14.990 14 1HD LYS 3 2HD LYS 3 -1.927 -18.438 -12.988 15 2HD LYS 3 1HD LYS 3 -0.252 -18.077 -13.406 16 1HE LYS 3 2HE LYS 3 -1.741 -16.244 -14.914 17 2HE LYS 3 1HE LYS 3 -2.535 -16.274 -13.328 18 1HZ LYS 3 1HZ LYS 3 -0.700 -14.757 -13.221 19 2HZ LYS 3 2HZ LYS 3 0.365 -15.914 -13.862 20 3HZ LYS 3 3HZ LYS 3 -0.299 -16.132 -12.314 21 H VAL 4 H VAL 4 2.515 -17.112 -15.850 22 HA VAL 4 HA VAL 4 4.543 -19.276 -15.921 23 HB VAL 4 HB VAL 4 4.349 -18.433 -18.233 24 1HG1 VAL 4 1HG1 VAL 4 4.660 -16.126 -18.778 25 2HG1 VAL 4 2HG1 VAL 4 5.182 -15.737 -17.139 26 3HG1 VAL 4 3HG1 VAL 4 3.498 -16.154 -17.452 27 1HG2 VAL 4 1HG2 VAL 4 6.811 -17.715 -16.639 28 2HG2 VAL 4 2HG2 VAL 4 6.756 -17.469 -18.384 29 3HG2 VAL 4 3HG2 VAL 4 6.563 -19.089 -17.717 30 H GLN 5 H GLN 5 3.820 -15.822 -15.430 31 HA GLN 5 HA GLN 5 6.215 -15.193 -13.959 32 1HB GLN 5 2HB GLN 5 3.463 -14.024 -14.316 33 2HB GLN 5 1HB GLN 5 4.583 -13.300 -13.162 34 1HG GLN 5 2HG GLN 5 6.043 -13.789 -15.554 35 2HG GLN 5 1HG GLN 5 4.532 -13.006 -16.016 36 1HE2 GLN 5 1HE2 GLN 5 7.652 -12.274 -15.147 37 2HE2 GLN 5 2HE2 GLN 5 7.404 -10.740 -14.464 38 H ALA 6 H ALA 6 6.048 -14.493 -11.564 39 HA ALA 6 HA ALA 6 4.465 -16.542 -10.045 40 1HB ALA 6 1HB ALA 6 7.183 -16.235 -10.263 41 2HB ALA 6 2HB ALA 6 6.380 -17.003 -8.893 42 3HB ALA 6 3HB ALA 6 6.842 -15.303 -8.805 43 H TYR 7 H TYR 7 3.258 -14.079 -10.664 44 HA TYR 7 HA TYR 7 3.656 -12.140 -8.520 45 1HB TYR 7 2HB TYR 7 2.083 -12.510 -10.972 46 2HB TYR 7 1HB TYR 7 1.198 -11.659 -9.706 47 HD1 TYR 7 1HD TYR 7 4.699 -11.732 -11.075 48 HD2 TYR 7 2HD TYR 7 1.399 -9.343 -9.710 49 HE1 TYR 7 1HE TYR 7 5.992 -9.671 -11.555 50 HE2 TYR 7 2HE TYR 7 2.693 -7.283 -10.191 51 HH TYR 7 HH TYR 7 5.467 -6.849 -10.336 52 H VAL 8 H VAL 8 3.325 -14.386 -7.095 53 HA VAL 8 HA VAL 8 0.474 -14.288 -6.160 54 HB VAL 8 HB VAL 8 0.611 -16.663 -5.807 55 1HG1 VAL 8 1HG1 VAL 8 0.253 -15.986 -8.149 56 2HG1 VAL 8 2HG1 VAL 8 1.176 -17.487 -8.068 57 3HG1 VAL 8 3HG1 VAL 8 1.996 -15.964 -8.414 58 1HG2 VAL 8 1HG2 VAL 8 3.539 -16.473 -6.580 59 2HG2 VAL 8 2HG2 VAL 8 2.679 -17.921 -6.054 60 3HG2 VAL 8 3HG2 VAL 8 2.960 -16.601 -4.919 61 H SER 9 H SER 9 3.058 -12.880 -5.272 62 HA SER 9 HA SER 9 3.300 -13.998 -2.509 63 1HB SER 9 2HB SER 9 5.326 -12.436 -2.532 64 2HB SER 9 1HB SER 9 5.385 -13.778 -3.671 65 HG SER 9 HG SER 9 4.232 -11.347 -4.462 66 H ASP 10 H ASP 10 4.181 -11.652 -1.248 67 HA ASP 10 HA ASP 10 1.776 -10.384 -0.455 68 1HB ASP 10 2HB ASP 10 3.313 -8.836 0.681 69 2HB ASP 10 1HB ASP 10 3.926 -10.487 0.800 70 H GLU 11 H GLU 11 0.824 -9.875 -2.622 71 HA GLU 11 HA GLU 11 1.967 -8.042 -4.484 72 1HB GLU 11 2HB GLU 11 -0.265 -9.599 -4.285 73 2HB GLU 11 1HB GLU 11 -0.965 -7.997 -4.048 74 1HG GLU 11 2HG GLU 11 0.605 -7.411 -6.128 75 2HG GLU 11 1HG GLU 11 0.394 -9.133 -6.452 76 H ILE 12 H ILE 12 0.860 -7.495 -1.293 77 HA ILE 12 HA ILE 12 -0.355 -4.969 -1.339 78 HB ILE 12 HB ILE 12 1.598 -6.334 0.520 79 1HG1 ILE 12 2HG1 ILE 12 -0.806 -7.127 0.166 80 2HG1 ILE 12 1HG1 ILE 12 -0.354 -6.772 1.833 81 1HG2 ILE 12 1HG2 ILE 12 2.038 -4.260 1.358 82 2HG2 ILE 12 2HG2 ILE 12 0.432 -4.410 2.071 83 3HG2 ILE 12 3HG2 ILE 12 0.645 -3.535 0.555 84 1HD1 ILE 12 1HD1 ILE 12 -1.676 -4.731 0.033 85 2HD1 ILE 12 2HD1 ILE 12 -1.469 -4.654 1.783 86 3HD1 ILE 12 3HD1 ILE 12 -2.593 -5.815 1.078 87 H VAL 13 H VAL 13 3.119 -5.755 -1.554 88 HA VAL 13 HA VAL 13 4.308 -3.250 -1.320 89 HB VAL 13 HB VAL 13 5.994 -4.185 -2.901 90 1HG1 VAL 13 1HG1 VAL 13 6.677 -5.826 -1.427 91 2HG1 VAL 13 2HG1 VAL 13 5.071 -6.542 -1.315 92 3HG1 VAL 13 3HG1 VAL 13 5.437 -5.057 -0.437 93 1HG2 VAL 13 1HG2 VAL 13 3.728 -6.114 -3.432 94 2HG2 VAL 13 2HG2 VAL 13 5.405 -6.552 -3.755 95 3HG2 VAL 13 3HG2 VAL 13 4.671 -5.189 -4.600 96 H TYR 14 H TYR 14 2.625 -4.578 -4.171 97 HA TYR 14 HA TYR 14 3.174 -2.305 -5.884 98 1HB TYR 14 2HB TYR 14 2.397 -4.817 -6.295 99 2HB TYR 14 1HB TYR 14 0.790 -4.095 -6.206 100 HD1 TYR 14 1HD TYR 14 4.013 -2.740 -7.549 101 HD2 TYR 14 2HD TYR 14 -0.022 -3.942 -8.402 102 HE1 TYR 14 1HE TYR 14 4.254 -1.905 -9.873 103 HE2 TYR 14 2HE TYR 14 0.220 -3.107 -10.724 104 HH TYR 14 HH TYR 14 1.740 -2.440 -12.287 105 H LYS 15 H LYS 15 0.665 -3.098 -3.543 106 HA LYS 15 HA LYS 15 -1.222 -1.059 -4.383 107 1HB LYS 15 2HB LYS 15 -0.923 -3.155 -2.406 108 2HB LYS 15 1HB LYS 15 -1.557 -1.694 -1.649 109 1HG LYS 15 2HG LYS 15 -3.560 -1.927 -2.665 110 2HG LYS 15 1HG LYS 15 -2.807 -2.213 -4.234 111 1HD LYS 15 2HD LYS 15 -2.560 -4.417 -2.262 112 2HD LYS 15 1HD LYS 15 -4.184 -4.120 -2.887 113 1HE LYS 15 2HE LYS 15 -2.190 -4.030 -5.018 114 2HE LYS 15 1HE LYS 15 -2.199 -5.595 -4.181 115 1HZ LYS 15 1HZ LYS 15 -4.566 -4.162 -5.266 116 2HZ LYS 15 2HZ LYS 15 -4.635 -5.594 -4.353 117 3HZ LYS 15 3HZ LYS 15 -3.892 -5.593 -5.880 118 H ILE 16 H ILE 16 1.497 -1.177 -2.120 119 HA ILE 16 HA ILE 16 0.938 1.327 -0.789 120 HB ILE 16 HB ILE 16 3.546 -0.162 -1.234 121 1HG1 ILE 16 2HG1 ILE 16 1.325 -0.494 0.800 122 2HG1 ILE 16 1HG1 ILE 16 1.965 -1.712 -0.305 123 1HG2 ILE 16 1HG2 ILE 16 4.327 0.969 0.729 124 2HG2 ILE 16 2HG2 ILE 16 2.719 1.601 1.084 125 3HG2 ILE 16 3HG2 ILE 16 3.620 2.210 -0.305 126 1HD1 ILE 16 1HD1 ILE 16 4.231 -1.295 0.894 127 2HD1 ILE 16 2HD1 ILE 16 3.006 -2.240 1.740 128 3HD1 ILE 16 3HD1 ILE 16 3.253 -0.544 2.155 129 H ASN 17 H ASN 17 2.271 0.514 -3.884 130 HA ASN 17 HA ASN 17 3.988 2.731 -4.375 131 1HB ASN 17 2HB ASN 17 2.866 0.522 -5.733 132 2HB ASN 17 1HB ASN 17 2.433 1.940 -6.688 133 1HD2 ASN 17 1HD2 ASN 17 4.804 -0.344 -6.479 134 2HD2 ASN 17 2HD2 ASN 17 6.133 0.558 -7.028 135 H LYS 18 H LYS 18 0.478 2.359 -4.982 136 HA LYS 18 HA LYS 18 0.122 5.038 -6.016 137 1HB LYS 18 2HB LYS 18 -2.259 4.436 -5.795 138 2HB LYS 18 1HB LYS 18 -1.345 3.083 -6.461 139 1HG LYS 18 2HG LYS 18 -1.202 2.804 -3.656 140 2HG LYS 18 1HG LYS 18 -2.884 3.194 -4.020 141 1HD LYS 18 2HD LYS 18 -1.302 1.042 -5.453 142 2HD LYS 18 1HD LYS 18 -2.380 0.730 -4.091 143 1HE LYS 18 2HE LYS 18 -4.075 0.579 -5.591 144 2HE LYS 18 1HE LYS 18 -3.877 2.318 -5.888 145 1HZ LYS 18 1HZ LYS 18 -3.516 0.591 -7.809 146 2HZ LYS 18 2HZ LYS 18 -1.970 0.458 -7.116 147 3HZ LYS 18 3HZ LYS 18 -2.526 1.962 -7.678 148 H ILE 19 H ILE 19 0.226 3.658 -2.806 149 HA ILE 19 HA ILE 19 -1.212 5.742 -1.417 150 HB ILE 19 HB ILE 19 0.906 3.731 -0.595 151 1HG1 ILE 19 2HG1 ILE 19 -1.333 2.925 -1.508 152 2HG1 ILE 19 1HG1 ILE 19 -0.948 2.383 0.126 153 1HG2 ILE 19 1HG2 ILE 19 -0.946 5.402 1.134 154 2HG2 ILE 19 2HG2 ILE 19 0.797 5.632 0.989 155 3HG2 ILE 19 3HG2 ILE 19 0.159 4.155 1.712 156 1HD1 ILE 19 1HD1 ILE 19 -3.296 3.228 -0.105 157 2HD1 ILE 19 2HD1 ILE 19 -2.642 4.817 -0.504 158 3HD1 ILE 19 3HD1 ILE 19 -2.351 4.117 1.089 159 H VAL 20 H VAL 20 2.295 5.132 -1.860 160 HA VAL 20 HA VAL 20 3.125 7.576 -0.562 161 HB VAL 20 HB VAL 20 4.613 5.964 -2.649 162 1HG1 VAL 20 1HG1 VAL 20 5.324 8.180 -1.131 163 2HG1 VAL 20 2HG1 VAL 20 6.447 7.059 -1.903 164 3HG1 VAL 20 3HG1 VAL 20 5.990 6.827 -0.215 165 1HG2 VAL 20 1HG2 VAL 20 4.219 4.164 -1.325 166 2HG2 VAL 20 2HG2 VAL 20 3.570 5.160 -0.025 167 3HG2 VAL 20 3HG2 VAL 20 5.312 4.934 -0.176 168 H GLU 21 H GLU 21 3.123 6.649 -4.032 169 HA GLU 21 HA GLU 21 3.897 9.030 -5.219 170 1HB GLU 21 2HB GLU 21 3.278 6.859 -6.313 171 2HB GLU 21 1HB GLU 21 1.579 7.267 -6.073 172 1HG GLU 21 2HG GLU 21 1.693 9.115 -7.549 173 2HG GLU 21 1HG GLU 21 3.457 9.143 -7.507 174 H ARG 22 H ARG 22 0.808 8.328 -3.662 175 HA ARG 22 HA ARG 22 -0.848 10.371 -4.610 176 1HB ARG 22 2HB ARG 22 -0.855 8.492 -2.602 177 2HB ARG 22 1HB ARG 22 -0.837 9.996 -1.682 178 1HG ARG 22 2HG ARG 22 -2.734 10.772 -3.241 179 2HG ARG 22 1HG ARG 22 -2.867 9.081 -3.723 180 1HD ARG 22 2HD ARG 22 -2.964 8.607 -1.147 181 2HD ARG 22 1HD ARG 22 -3.412 10.321 -1.032 182 HE ARG 22 HE ARG 22 -5.102 8.227 -2.085 183 1HH1 ARG 22 1HH1 ARG 22 -5.094 11.422 -1.293 184 2HH1 ARG 22 2HH1 ARG 22 -6.131 11.956 -2.573 185 1HH2 ARG 22 1HH2 ARG 22 -6.027 8.937 -4.276 186 2HH2 ARG 22 2HH2 ARG 22 -6.660 10.550 -4.262 187 H ARG 23 H ARG 23 1.593 10.611 -1.998 188 HA ARG 23 HA ARG 23 1.231 13.234 -1.146 189 1HB ARG 23 2HB ARG 23 3.779 11.702 -1.761 190 2HB ARG 23 1HB ARG 23 3.726 13.172 -0.787 191 1HG ARG 23 2HG ARG 23 1.727 11.297 0.133 192 2HG ARG 23 1HG ARG 23 3.314 10.529 0.105 193 1HD ARG 23 2HD ARG 23 4.185 11.958 1.709 194 2HD ARG 23 1HD ARG 23 3.124 13.300 1.235 195 HE ARG 23 HE ARG 23 1.732 10.955 2.338 196 1HH1 ARG 23 1HH1 ARG 23 3.746 13.417 3.484 197 2HH1 ARG 23 2HH1 ARG 23 2.629 14.005 4.669 198 1HH2 ARG 23 1HH2 ARG 23 0.026 11.976 3.607 199 2HH2 ARG 23 2HH2 ARG 23 0.522 13.190 4.738 200 H ARG 24 H ARG 24 3.839 12.585 -3.491 201 HA ARG 24 HA ARG 24 3.905 15.229 -4.536 202 1HB ARG 24 2HB ARG 24 5.601 13.326 -4.700 203 2HB ARG 24 1HB ARG 24 4.601 12.666 -5.996 204 1HG ARG 24 2HG ARG 24 4.829 14.811 -7.233 205 2HG ARG 24 1HG ARG 24 5.893 15.410 -5.960 206 1HD ARG 24 2HD ARG 24 6.396 13.088 -7.846 207 2HD ARG 24 1HD ARG 24 7.369 14.559 -7.641 208 HE ARG 24 HE ARG 24 7.112 12.409 -5.574 209 1HH1 ARG 24 1HH2 ARG 24 8.248 15.533 -6.304 210 2HH1 ARG 24 2HH2 ARG 24 9.793 15.313 -5.552 211 1HH2 ARG 24 1HH1 ARG 24 9.285 11.950 -4.881 212 2HH2 ARG 24 2HH1 ARG 24 10.381 13.284 -4.748 213 H ALA 25 H ALA 25 2.079 12.356 -5.562 214 HA ALA 25 HA ALA 25 1.065 13.102 -8.032 215 1HB ALA 25 1HB ALA 25 -1.005 11.866 -7.244 216 2HB ALA 25 2HB ALA 25 -0.301 11.857 -5.627 217 3HB ALA 25 3HB ALA 25 0.509 11.011 -6.946 218 H GLU 26 H GLU 26 0.011 14.282 -4.837 219 HA GLU 26 HA GLU 26 -2.043 16.004 -5.999 220 1HB GLU 26 2HB GLU 26 -2.584 16.440 -3.733 221 2HB GLU 26 1HB GLU 26 -1.999 14.778 -3.724 222 1HG GLU 26 2HG GLU 26 0.315 16.302 -3.411 223 2HG GLU 26 1HG GLU 26 -0.882 17.137 -2.421 224 H GLY 27 H GLY 27 1.332 16.258 -5.183 225 1HA GLY 27 2HA GLY 27 2.427 18.238 -6.351 226 2HA GLY 27 1HA GLY 27 1.179 19.221 -5.586 227 H ALA 28 H ALA 28 2.699 16.526 -3.927 228 HA ALA 28 HA ALA 28 3.509 18.266 -1.728 229 1HB ALA 28 1HB ALA 28 4.015 15.337 -2.349 230 2HB ALA 28 2HB ALA 28 2.642 15.971 -1.444 231 3HB ALA 28 3HB ALA 28 4.271 16.102 -0.781 232 H LYS 29 H LYS 29 5.952 17.220 -0.943 233 HA LYS 29 HA LYS 29 7.896 17.308 -3.136 234 1HB LYS 29 2HB LYS 29 8.926 19.438 -2.138 235 2HB LYS 29 1HB LYS 29 7.417 19.649 -3.026 236 1HG LYS 29 2HG LYS 29 6.880 19.012 -0.251 237 2HG LYS 29 1HG LYS 29 7.933 20.422 -0.370 238 1HD LYS 29 2HD LYS 29 5.544 20.238 -2.174 239 2HD LYS 29 1HD LYS 29 5.312 20.718 -0.492 240 1HE LYS 29 2HE LYS 29 6.839 22.589 -0.744 241 2HE LYS 29 1HE LYS 29 7.287 22.053 -2.376 242 1HZ LYS 29 1HZ LYS 29 4.674 22.074 -2.640 243 2HZ LYS 29 2HZ LYS 29 5.608 23.467 -2.919 244 3HZ LYS 29 3HZ LYS 29 4.796 23.267 -1.440 245 H SER 30 H SER 30 10.182 17.918 -1.772 246 HA SER 30 HA SER 30 11.722 17.054 -0.199 247 1HB SER 30 2HB SER 30 9.144 17.480 1.136 248 2HB SER 30 1HB SER 30 10.133 16.262 1.933 249 HG SER 30 HG SER 30 10.381 18.859 2.087 250 H THR 31 H THR 31 12.660 15.028 -0.019 251 HA THR 31 HA THR 31 11.145 12.708 -1.010 252 HB THR 31 HB THR 31 13.492 13.282 -1.665 253 HG1 THR 31 1HG THR 31 14.194 11.184 -1.536 254 1HG2 THR 31 1HG2 THR 31 15.249 12.656 0.092 255 2HG2 THR 31 2HG2 THR 31 13.945 12.760 1.274 256 3HG2 THR 31 3HG2 THR 31 14.402 14.182 0.337 257 H ASP 32 H ASP 32 10.876 14.064 1.840 258 HA ASP 32 HA ASP 32 11.725 12.297 3.865 259 1HB ASP 32 2HB ASP 32 9.753 14.402 3.434 260 2HB ASP 32 1HB ASP 32 9.169 13.194 4.579 261 H VAL 33 H VAL 33 9.054 11.989 1.580 262 HA VAL 33 HA VAL 33 8.063 9.540 2.944 263 HB VAL 33 HB VAL 33 6.506 11.306 2.172 264 1HG1 VAL 33 1HG1 VAL 33 8.234 11.436 -0.009 265 2HG1 VAL 33 2HG1 VAL 33 6.686 12.270 0.136 266 3HG1 VAL 33 3HG1 VAL 33 6.773 10.707 -0.675 267 1HG2 VAL 33 1HG2 VAL 33 5.811 8.902 2.175 268 2HG2 VAL 33 2HG2 VAL 33 6.303 8.790 0.486 269 3HG2 VAL 33 3HG2 VAL 33 4.972 9.851 0.949 270 H SER 34 H SER 34 7.940 7.517 1.778 271 HA SER 34 HA SER 34 9.087 7.221 -0.887 272 1HB SER 34 2HB SER 34 10.749 7.158 1.507 273 2HB SER 34 1HB SER 34 10.854 5.645 0.611 274 HG SER 34 HG SER 34 11.401 8.283 -0.249 275 H PHE 35 H PHE 35 8.912 4.992 -1.623 276 HA PHE 35 HA PHE 35 6.680 3.525 -0.829 277 1HB PHE 35 2HB PHE 35 8.054 3.223 -2.883 278 2HB PHE 35 1HB PHE 35 9.317 2.476 -1.906 279 HD1 PHE 35 1HD PHE 35 8.489 0.492 -0.343 280 HD2 PHE 35 2HD PHE 35 6.457 1.845 -3.878 281 HE1 PHE 35 1HE PHE 35 7.328 -1.693 -0.513 282 HE2 PHE 35 2HE PHE 35 5.296 -0.340 -4.048 283 HZ PHE 35 HZ PHE 35 5.733 -2.109 -2.365 284 H SER 36 H SER 36 10.057 2.971 0.234 285 HA SER 36 HA SER 36 9.460 0.821 2.036 286 1HB SER 36 2HB SER 36 11.686 1.413 1.094 287 2HB SER 36 1HB SER 36 11.688 2.882 2.065 288 HG SER 36 HG SER 36 12.804 1.059 3.017 289 H SER 37 H SER 37 9.624 4.348 2.488 290 HA SER 37 HA SER 37 9.355 4.331 5.351 291 1HB SER 37 2HB SER 37 10.091 6.172 3.686 292 2HB SER 37 1HB SER 37 8.369 6.475 3.465 293 HG SER 37 HG SER 37 8.266 7.299 5.413 294 H ILE 38 H ILE 38 6.951 4.723 2.727 295 HA ILE 38 HA ILE 38 4.675 4.977 4.482 296 HB ILE 38 HB ILE 38 5.027 4.158 1.582 297 1HG1 ILE 38 2HG1 ILE 38 5.784 6.443 2.183 298 2HG1 ILE 38 1HG1 ILE 38 4.355 6.487 1.150 299 1HG2 ILE 38 1HG2 ILE 38 2.490 5.236 1.869 300 2HG2 ILE 38 2HG2 ILE 38 2.657 4.231 3.309 301 3HG2 ILE 38 3HG2 ILE 38 2.856 3.519 1.708 302 1HD1 ILE 38 1HD1 ILE 38 3.439 7.821 2.731 303 2HD1 ILE 38 2HD1 ILE 38 4.679 7.403 3.912 304 3HD1 ILE 38 3HD1 ILE 38 3.276 6.356 3.699 305 H SER 39 H SER 39 6.409 2.227 3.138 306 HA SER 39 HA SER 39 4.331 0.261 3.649 307 1HB SER 39 2HB SER 39 7.298 0.208 3.080 308 2HB SER 39 1HB SER 39 6.378 -1.272 3.333 309 HG SER 39 HG SER 39 6.515 -0.627 1.114 310 H THR 40 H THR 40 7.527 0.715 5.213 311 HA THR 40 HA THR 40 7.184 -0.973 7.410 312 HB THR 40 HB THR 40 9.201 0.388 6.614 313 HG1 THR 40 1HG THR 40 9.787 0.764 8.966 314 1HG2 THR 40 1HG2 THR 40 8.016 2.581 6.658 315 2HG2 THR 40 2HG2 THR 40 9.500 2.595 7.608 316 3HG2 THR 40 3HG2 THR 40 7.939 2.473 8.416 317 H MET 41 H MET 41 6.217 2.475 7.187 318 HA MET 41 HA MET 41 5.254 2.721 9.865 319 1HB MET 41 2HB MET 41 4.259 4.748 9.032 320 2HB MET 41 1HB MET 41 5.751 4.510 8.121 321 1HG MET 41 2HG MET 41 4.569 3.689 6.216 322 2HG MET 41 1HG MET 41 3.069 3.524 7.126 323 1HE MET 41 1HE MET 41 1.599 5.641 5.124 324 2HE MET 41 2HE MET 41 1.146 6.156 6.747 325 3HE MET 41 3HE MET 41 1.530 4.464 6.444 326 H LEU 42 H LEU 42 3.748 1.433 6.937 327 HA LEU 42 HA LEU 42 1.035 1.388 7.912 328 1HB LEU 42 2HB LEU 42 2.386 0.891 5.562 329 2HB LEU 42 1HB LEU 42 1.885 -0.729 6.047 330 HG LEU 42 HG LEU 42 0.029 1.663 5.875 331 1HD1 LEU 42 1HD1 LEU 42 -0.801 0.714 3.824 332 2HD1 LEU 42 2HD1 LEU 42 0.192 -0.730 4.024 333 3HD1 LEU 42 3HD1 LEU 42 0.952 0.819 3.666 334 1HD2 LEU 42 1HD2 LEU 42 -1.694 -0.217 5.985 335 2HD2 LEU 42 2HD2 LEU 42 -0.799 0.080 7.475 336 3HD2 LEU 42 3HD2 LEU 42 -0.368 -1.285 6.445 337 H LEU 43 H LEU 43 3.285 -1.376 7.469 338 HA LEU 43 HA LEU 43 1.753 -3.200 9.053 339 1HB LEU 43 2HB LEU 43 3.456 -3.822 7.380 340 2HB LEU 43 1HB LEU 43 4.715 -3.109 8.393 341 HG LEU 43 HG LEU 43 3.195 -4.883 10.028 342 1HD1 LEU 43 1HD1 LEU 43 2.480 -5.970 7.930 343 2HD1 LEU 43 2HD1 LEU 43 3.579 -7.013 8.834 344 3HD1 LEU 43 3HD1 LEU 43 4.164 -6.120 7.430 345 1HD2 LEU 43 1HD2 LEU 43 5.367 -5.974 10.295 346 2HD2 LEU 43 2HD2 LEU 43 5.594 -4.225 10.258 347 3HD2 LEU 43 3HD2 LEU 43 5.968 -5.194 8.833 348 H GLU 44 H GLU 44 4.456 -1.029 9.889 349 HA GLU 44 HA GLU 44 4.976 -1.948 12.521 350 1HB GLU 44 2HB GLU 44 5.110 0.710 11.092 351 2HB GLU 44 1HB GLU 44 5.566 0.585 12.792 352 1HG GLU 44 2HG GLU 44 6.748 -1.552 11.203 353 2HG GLU 44 1HG GLU 44 7.213 0.040 10.604 354 H LEU 45 H LEU 45 2.353 -0.076 11.188 355 HA LEU 45 HA LEU 45 1.247 0.493 13.894 356 1HB LEU 45 2HB LEU 45 0.958 2.451 12.762 357 2HB LEU 45 1HB LEU 45 1.232 1.676 11.205 358 HG LEU 45 HG LEU 45 -1.121 0.784 11.316 359 1HD1 LEU 45 1HD1 LEU 45 -2.534 1.274 13.058 360 2HD1 LEU 45 2HD1 LEU 45 -1.790 2.845 13.358 361 3HD1 LEU 45 3HD1 LEU 45 -1.017 1.375 13.951 362 1HD2 LEU 45 1HD2 LEU 45 -1.907 2.672 10.271 363 2HD2 LEU 45 2HD2 LEU 45 -0.219 3.165 10.401 364 3HD2 LEU 45 3HD2 LEU 45 -1.398 3.736 11.582 365 H GLY 46 H GLY 46 1.013 -1.764 11.344 366 1HA GLY 46 2HA GLY 46 -0.385 -3.666 11.204 367 2HA GLY 46 1HA GLY 46 -1.266 -3.081 12.616 368 H LEU 47 H LEU 47 -0.711 -1.081 9.786 369 HA LEU 47 HA LEU 47 -2.337 0.122 8.535 370 1HB LEU 47 2HB LEU 47 -3.338 -1.406 6.968 371 2HB LEU 47 1HB LEU 47 -1.789 -2.099 7.438 372 HG LEU 47 HG LEU 47 -4.153 -2.880 9.077 373 1HD1 LEU 47 1HD1 LEU 47 -3.871 -3.397 6.164 374 2HD1 LEU 47 2HD1 LEU 47 -5.323 -3.346 7.163 375 3HD1 LEU 47 3HD1 LEU 47 -4.298 -4.781 7.170 376 1HD2 LEU 47 1HD2 LEU 47 -2.384 -4.935 7.984 377 2HD2 LEU 47 2HD2 LEU 47 -2.746 -4.553 9.669 378 3HD2 LEU 47 3HD2 LEU 47 -1.489 -3.660 8.813 379 H ARG 48 H ARG 48 -3.146 -0.378 11.402 380 HA ARG 48 HA ARG 48 -5.980 -1.030 11.395 381 1HB ARG 48 2HB ARG 48 -4.548 -1.376 13.340 382 2HB ARG 48 1HB ARG 48 -4.138 0.340 13.381 383 1HG ARG 48 2HG ARG 48 -6.834 0.521 13.454 384 2HG ARG 48 1HG ARG 48 -6.622 -1.033 14.259 385 1HD ARG 48 2HD ARG 48 -4.642 0.693 15.338 386 2HD ARG 48 1HD ARG 48 -6.168 1.601 15.336 387 HE ARG 48 HE ARG 48 -7.193 -0.220 16.616 388 1HH1 ARG 48 1HH1 ARG 48 -4.553 -1.765 15.435 389 2HH1 ARG 48 2HH1 ARG 48 -3.951 -2.348 16.950 390 1HH2 ARG 48 1HH2 ARG 48 -6.102 -0.407 18.855 391 2HH2 ARG 48 2HH2 ARG 48 -4.828 -1.580 18.887 392 H VAL 49 H VAL 49 -5.013 1.940 12.958 393 HA VAL 49 HA VAL 49 -7.184 3.508 12.246 394 HB VAL 49 HB VAL 49 -5.575 5.420 12.603 395 1HG1 VAL 49 1HG1 VAL 49 -4.773 3.480 14.680 396 2HG1 VAL 49 2HG1 VAL 49 -6.510 3.563 14.386 397 3HG1 VAL 49 3HG1 VAL 49 -5.622 5.016 14.844 398 1HG2 VAL 49 1HG2 VAL 49 -3.293 3.972 13.424 399 2HG2 VAL 49 2HG2 VAL 49 -3.419 5.061 12.042 400 3HG2 VAL 49 3HG2 VAL 49 -3.717 3.336 11.835 401 H TYR 50 H TYR 50 -4.450 2.620 10.238 402 HA TYR 50 HA TYR 50 -4.547 4.596 8.222 403 1HB TYR 50 2HB TYR 50 -2.797 2.978 8.257 404 2HB TYR 50 1HB TYR 50 -3.938 1.634 8.261 405 HD1 TYR 50 1HD TYR 50 -3.424 0.460 6.268 406 HD2 TYR 50 2HD TYR 50 -3.997 4.716 6.158 407 HE1 TYR 50 1HE TYR 50 -3.363 0.404 3.790 408 HE2 TYR 50 2HE TYR 50 -3.937 4.660 3.680 409 HH TYR 50 HH TYR 50 -4.127 1.742 1.902 410 H GLU 51 H GLU 51 -6.239 1.417 8.211 411 HA GLU 51 HA GLU 51 -7.815 1.968 5.909 412 1HB GLU 51 2HB GLU 51 -7.219 -0.054 7.847 413 2HB GLU 51 1HB GLU 51 -8.958 0.057 7.673 414 1HG GLU 51 2HG GLU 51 -8.108 -1.512 6.034 415 2HG GLU 51 1HG GLU 51 -8.664 -0.065 5.199 416 H ALA 52 H ALA 52 -8.433 2.237 9.414 417 HA ALA 52 HA ALA 52 -11.216 2.891 9.247 418 1HB ALA 52 1HB ALA 52 -9.867 4.180 11.448 419 2HB ALA 52 2HB ALA 52 -9.157 2.587 11.177 420 3HB ALA 52 3HB ALA 52 -10.888 2.742 11.478 421 H GLN 53 H GLN 53 -8.288 4.928 9.259 422 HA GLN 53 HA GLN 53 -9.317 7.491 9.485 423 1HB GLN 53 2HB GLN 53 -7.193 6.271 7.717 424 2HB GLN 53 1HB GLN 53 -7.466 8.012 7.748 425 1HG GLN 53 2HG GLN 53 -7.218 6.635 10.379 426 2HG GLN 53 1HG GLN 53 -5.746 6.815 9.424 427 1HE2 GLN 53 1HE2 GLN 53 -4.658 8.656 10.128 428 2HE2 GLN 53 2HE2 GLN 53 -5.394 10.137 10.507 429 H MET 54 H MET 54 -8.950 5.792 6.340 430 HA MET 54 HA MET 54 -10.868 7.686 5.105 431 1HB MET 54 2HB MET 54 -10.050 6.715 3.045 432 2HB MET 54 1HB MET 54 -8.658 6.963 4.099 433 1HG MET 54 2HG MET 54 -8.992 4.552 4.876 434 2HG MET 54 1HG MET 54 -10.112 4.375 3.527 435 1HE MET 54 1HE MET 54 -8.672 2.488 2.127 436 2HE MET 54 2HE MET 54 -8.080 2.490 3.787 437 3HE MET 54 3HE MET 54 -6.933 2.459 2.450 438 H GLU 55 H GLU 55 -10.959 4.663 6.655 439 HA GLU 55 HA GLU 55 -12.624 2.988 6.779 440 1HB GLU 55 2HB GLU 55 -13.740 5.457 6.935 441 2HB GLU 55 1HB GLU 55 -14.587 4.831 5.521 442 1HG GLU 55 2HG GLU 55 -15.566 3.077 6.718 443 2HG GLU 55 1HG GLU 55 -14.342 3.130 7.986 444 H ARG 56 H ARG 56 -14.548 2.045 5.259 445 HA ARG 56 HA ARG 56 -13.865 2.256 2.381 446 1HB ARG 56 2HB ARG 56 -13.092 0.089 4.232 447 2HB ARG 56 1HB ARG 56 -13.849 -0.467 2.739 448 1HG ARG 56 2HG ARG 56 -11.738 1.646 2.553 449 2HG ARG 56 1HG ARG 56 -11.231 -0.017 2.852 450 1HD ARG 56 2HD ARG 56 -13.086 -0.345 0.834 451 2HD ARG 56 1HD ARG 56 -12.305 1.184 0.388 452 HE ARG 56 HE ARG 56 -10.208 0.032 0.221 453 1HH1 ARG 56 1HH1 ARG 56 -12.334 -1.838 2.112 454 2HH1 ARG 56 2HH1 ARG 56 -11.667 -3.363 1.630 455 1HH2 ARG 56 1HH2 ARG 56 -9.520 -1.981 -0.717 456 2HH2 ARG 56 2HH2 ARG 56 -10.075 -3.444 0.027 Start of MODEL 15 1 1H ALA 2 1H ALA 2 12.683 -25.765 -15.942 2 2H ALA 2 2H ALA 2 11.009 -25.729 -16.231 3 3H ALA 2 3H ALA 2 11.751 -27.159 -15.691 4 HA ALA 2 HA ALA 2 11.982 -26.409 -13.533 5 1HB ALA 2 1HB ALA 2 12.924 -24.222 -14.868 6 2HB ALA 2 2HB ALA 2 12.679 -24.267 -13.122 7 3HB ALA 2 3HB ALA 2 11.446 -23.565 -14.169 8 H LYS 3 H LYS 3 10.001 -27.320 -12.945 9 HA LYS 3 HA LYS 3 7.509 -25.806 -13.602 10 1HB LYS 3 2HB LYS 3 7.955 -28.625 -12.566 11 2HB LYS 3 1HB LYS 3 6.420 -27.956 -13.122 12 1HG LYS 3 2HG LYS 3 6.940 -28.342 -15.282 13 2HG LYS 3 1HG LYS 3 8.520 -27.579 -15.100 14 1HD LYS 3 2HD LYS 3 8.222 -30.235 -13.816 15 2HD LYS 3 1HD LYS 3 8.197 -30.231 -15.579 16 1HE LYS 3 2HE LYS 3 10.338 -29.024 -15.640 17 2HE LYS 3 1HE LYS 3 10.362 -28.956 -13.866 18 1HZ LYS 3 1HZ LYS 3 10.529 -31.330 -15.619 19 2HZ LYS 3 2HZ LYS 3 10.007 -31.470 -14.009 20 3HZ LYS 3 3HZ LYS 3 11.562 -30.876 -14.353 21 H VAL 4 H VAL 4 7.863 -24.209 -11.872 22 HA VAL 4 HA VAL 4 7.236 -25.322 -9.160 23 HB VAL 4 HB VAL 4 9.569 -24.768 -9.169 24 1HG1 VAL 4 1HG1 VAL 4 9.732 -23.509 -11.212 25 2HG1 VAL 4 2HG1 VAL 4 10.291 -22.452 -9.918 26 3HG1 VAL 4 3HG1 VAL 4 8.672 -22.245 -10.587 27 1HG2 VAL 4 1HG2 VAL 4 7.922 -23.696 -7.386 28 2HG2 VAL 4 2HG2 VAL 4 8.449 -22.188 -8.131 29 3HG2 VAL 4 3HG2 VAL 4 9.633 -23.268 -7.395 30 H GLN 5 H GLN 5 4.983 -24.694 -9.742 31 HA GLN 5 HA GLN 5 4.131 -22.110 -10.514 32 1HB GLN 5 2HB GLN 5 2.995 -24.400 -8.933 33 2HB GLN 5 1HB GLN 5 2.068 -22.906 -9.075 34 1HG GLN 5 2HG GLN 5 3.254 -24.069 -11.562 35 2HG GLN 5 1HG GLN 5 1.823 -24.844 -10.882 36 1HE2 GLN 5 1HE2 GLN 5 0.251 -22.800 -9.990 37 2HE2 GLN 5 2HE2 GLN 5 -0.111 -21.705 -11.236 38 H ALA 6 H ALA 6 2.475 -21.112 -8.529 39 HA ALA 6 HA ALA 6 3.629 -20.817 -5.932 40 1HB ALA 6 1HB ALA 6 5.494 -19.687 -6.625 41 2HB ALA 6 2HB ALA 6 4.394 -18.312 -6.721 42 3HB ALA 6 3HB ALA 6 4.766 -19.246 -8.170 43 H TYR 7 H TYR 7 1.344 -20.801 -5.449 44 HA TYR 7 HA TYR 7 -0.377 -18.690 -6.554 45 1HB TYR 7 2HB TYR 7 -0.568 -21.131 -4.902 46 2HB TYR 7 1HB TYR 7 -1.732 -19.873 -4.483 47 HD1 TYR 7 1HD TYR 7 -3.655 -19.538 -5.798 48 HD2 TYR 7 2HD TYR 7 -0.354 -21.775 -7.395 49 HE1 TYR 7 1HE TYR 7 -5.019 -20.135 -7.782 50 HE2 TYR 7 2HE TYR 7 -1.716 -22.371 -9.380 51 HH TYR 7 HH TYR 7 -4.770 -22.370 -9.577 52 H VAL 8 H VAL 8 1.735 -17.399 -5.347 53 HA VAL 8 HA VAL 8 0.482 -16.292 -2.857 54 HB VAL 8 HB VAL 8 3.331 -17.115 -3.455 55 1HG1 VAL 8 1HG1 VAL 8 2.327 -14.943 -1.737 56 2HG1 VAL 8 2HG1 VAL 8 3.962 -15.245 -2.329 57 3HG1 VAL 8 3HG1 VAL 8 3.370 -16.094 -0.900 58 1HG2 VAL 8 1HG2 VAL 8 2.513 -17.843 -0.866 59 2HG2 VAL 8 2HG2 VAL 8 2.652 -18.909 -2.263 60 3HG2 VAL 8 3HG2 VAL 8 1.108 -18.141 -1.891 61 H SER 9 H SER 9 -0.272 -14.370 -3.818 62 HA SER 9 HA SER 9 1.787 -12.673 -5.192 63 1HB SER 9 2HB SER 9 -1.011 -13.406 -5.728 64 2HB SER 9 1HB SER 9 -0.701 -11.677 -5.858 65 HG SER 9 HG SER 9 1.102 -13.493 -7.006 66 H ASP 10 H ASP 10 2.500 -11.572 -3.288 67 HA ASP 10 HA ASP 10 0.838 -10.530 -1.232 68 1HB ASP 10 2HB ASP 10 2.867 -9.001 -0.926 69 2HB ASP 10 1HB ASP 10 3.212 -10.731 -0.949 70 H GLU 11 H GLU 11 -0.979 -9.694 -2.658 71 HA GLU 11 HA GLU 11 -0.769 -7.565 -4.496 72 1HB GLU 11 2HB GLU 11 -3.142 -7.165 -3.831 73 2HB GLU 11 1HB GLU 11 -2.796 -8.879 -4.053 74 1HG GLU 11 2HG GLU 11 -2.165 -8.579 -1.419 75 2HG GLU 11 1HG GLU 11 -3.462 -7.394 -1.581 76 H ILE 12 H ILE 12 -0.587 -7.535 -0.983 77 HA ILE 12 HA ILE 12 -1.113 -4.823 -0.407 78 HB ILE 12 HB ILE 12 0.753 -6.911 0.731 79 1HG1 ILE 12 2HG1 ILE 12 -1.759 -7.148 0.891 80 2HG1 ILE 12 1HG1 ILE 12 -0.940 -7.077 2.452 81 1HG2 ILE 12 1HG2 ILE 12 1.838 -5.270 1.837 82 2HG2 ILE 12 2HG2 ILE 12 0.330 -4.979 2.705 83 3HG2 ILE 12 3HG2 ILE 12 0.709 -4.044 1.257 84 1HD1 ILE 12 1HD1 ILE 12 -2.945 -5.296 1.386 85 2HD1 ILE 12 2HD1 ILE 12 -1.466 -4.398 1.728 86 3HD1 ILE 12 3HD1 ILE 12 -2.246 -5.332 3.005 87 H VAL 13 H VAL 13 2.038 -6.328 -1.223 88 HA VAL 13 HA VAL 13 3.785 -4.207 -1.106 89 HB VAL 13 HB VAL 13 3.396 -6.341 -3.218 90 1HG1 VAL 13 1HG1 VAL 13 5.038 -5.425 -4.451 91 2HG1 VAL 13 2HG1 VAL 13 6.108 -5.428 -3.049 92 3HG1 VAL 13 3HG1 VAL 13 5.069 -4.038 -3.363 93 1HG2 VAL 13 1HG2 VAL 13 5.341 -6.066 -0.903 94 2HG2 VAL 13 2HG2 VAL 13 5.210 -7.449 -1.989 95 3HG2 VAL 13 3HG2 VAL 13 3.888 -7.065 -0.889 96 H TYR 14 H TYR 14 1.611 -4.868 -3.880 97 HA TYR 14 HA TYR 14 2.359 -2.468 -5.321 98 1HB TYR 14 2HB TYR 14 1.078 -4.819 -5.858 99 2HB TYR 14 1HB TYR 14 -0.292 -3.713 -5.771 100 HD1 TYR 14 1HD TYR 14 -0.626 -1.988 -7.422 101 HD2 TYR 14 2HD TYR 14 2.913 -4.421 -7.488 102 HE1 TYR 14 1HE TYR 14 -0.075 -1.126 -9.681 103 HE2 TYR 14 2HE TYR 14 3.462 -3.560 -9.747 104 HH TYR 14 HH TYR 14 1.228 -1.810 -11.638 105 H LYS 15 H LYS 15 -0.325 -3.309 -3.132 106 HA LYS 15 HA LYS 15 -1.972 -1.052 -3.446 107 1HB LYS 15 2HB LYS 15 -2.269 -3.165 -2.045 108 2HB LYS 15 1HB LYS 15 -1.268 -2.386 -0.819 109 1HG LYS 15 2HG LYS 15 -2.867 -0.448 -0.836 110 2HG LYS 15 1HG LYS 15 -3.909 -1.379 -1.913 111 1HD LYS 15 2HD LYS 15 -4.715 -1.714 0.336 112 2HD LYS 15 1HD LYS 15 -3.926 -3.208 -0.170 113 1HE LYS 15 2HE LYS 15 -3.191 -2.638 2.102 114 2HE LYS 15 1HE LYS 15 -1.828 -2.419 0.986 115 1HZ LYS 15 1HZ LYS 15 -1.931 -0.186 1.141 116 2HZ LYS 15 2HZ LYS 15 -2.685 -0.503 2.630 117 3HZ LYS 15 3HZ LYS 15 -3.623 -0.152 1.258 118 H ILE 16 H ILE 16 1.103 -1.346 -1.729 119 HA ILE 16 HA ILE 16 0.876 1.259 -0.413 120 HB ILE 16 HB ILE 16 3.320 -0.461 -0.913 121 1HG1 ILE 16 2HG1 ILE 16 1.101 -0.727 1.129 122 2HG1 ILE 16 1HG1 ILE 16 1.677 -1.949 -0.002 123 1HG2 ILE 16 1HG2 ILE 16 3.265 1.972 0.175 124 2HG2 ILE 16 2HG2 ILE 16 4.308 0.706 0.824 125 3HG2 ILE 16 3HG2 ILE 16 2.765 1.062 1.601 126 1HD1 ILE 16 1HD1 ILE 16 2.617 -1.396 2.651 127 2HD1 ILE 16 2HD1 ILE 16 3.925 -1.082 1.509 128 3HD1 ILE 16 3HD1 ILE 16 3.145 -2.663 1.544 129 H ASN 17 H ASN 17 2.574 -0.057 -3.257 130 HA ASN 17 HA ASN 17 4.181 2.105 -4.002 131 1HB ASN 17 2HB ASN 17 2.648 -0.052 -5.389 132 2HB ASN 17 1HB ASN 17 3.350 1.218 -6.392 133 1HD2 ASN 17 1HD2 ASN 17 5.330 0.492 -7.179 134 2HD2 ASN 17 2HD2 ASN 17 6.485 -0.359 -6.273 135 H LYS 18 H LYS 18 0.717 1.622 -4.785 136 HA LYS 18 HA LYS 18 0.475 4.168 -6.171 137 1HB LYS 18 2HB LYS 18 -1.892 3.540 -6.216 138 2HB LYS 18 1HB LYS 18 -0.906 2.118 -6.555 139 1HG LYS 18 2HG LYS 18 -1.021 1.853 -3.906 140 2HG LYS 18 1HG LYS 18 -2.509 2.774 -4.122 141 1HD LYS 18 2HD LYS 18 -2.810 0.978 -6.117 142 2HD LYS 18 1HD LYS 18 -1.851 0.011 -4.997 143 1HE LYS 18 2HE LYS 18 -3.480 0.542 -3.180 144 2HE LYS 18 1HE LYS 18 -4.474 1.413 -4.366 145 1HZ LYS 18 1HZ LYS 18 -4.143 -0.766 -5.729 146 2HZ LYS 18 2HZ LYS 18 -5.347 -0.688 -4.533 147 3HZ LYS 18 3HZ LYS 18 -3.870 -1.460 -4.205 148 H ILE 19 H ILE 19 0.227 3.122 -2.848 149 HA ILE 19 HA ILE 19 -1.335 5.402 -1.912 150 HB ILE 19 HB ILE 19 0.306 3.192 -0.663 151 1HG1 ILE 19 2HG1 ILE 19 -2.651 3.854 -0.506 152 2HG1 ILE 19 1HG1 ILE 19 -1.958 2.733 -1.678 153 1HG2 ILE 19 1HG2 ILE 19 -1.254 5.365 0.771 154 2HG2 ILE 19 2HG2 ILE 19 0.503 5.207 0.764 155 3HG2 ILE 19 3HG2 ILE 19 -0.491 3.970 1.533 156 1HD1 ILE 19 1HD1 ILE 19 -0.863 1.779 0.623 157 2HD1 ILE 19 2HD1 ILE 19 -2.376 1.182 -0.058 158 3HD1 ILE 19 3HD1 ILE 19 -2.404 2.387 1.228 159 H VAL 20 H VAL 20 2.113 4.589 -2.131 160 HA VAL 20 HA VAL 20 3.143 6.733 -0.543 161 HB VAL 20 HB VAL 20 4.372 5.444 -2.997 162 1HG1 VAL 20 1HG1 VAL 20 5.312 7.339 -1.115 163 2HG1 VAL 20 2HG1 VAL 20 6.253 6.490 -2.341 164 3HG1 VAL 20 3HG1 VAL 20 6.101 5.813 -0.719 165 1HG2 VAL 20 1HG2 VAL 20 3.446 4.247 -0.530 166 2HG2 VAL 20 2HG2 VAL 20 5.200 4.114 -0.647 167 3HG2 VAL 20 3HG2 VAL 20 4.180 3.466 -1.931 168 H GLU 21 H GLU 21 2.652 6.501 -4.087 169 HA GLU 21 HA GLU 21 3.592 8.942 -4.974 170 1HB GLU 21 2HB GLU 21 2.036 6.906 -5.939 171 2HB GLU 21 1HB GLU 21 0.880 8.238 -5.925 172 1HG GLU 21 2HG GLU 21 3.246 9.355 -6.935 173 2HG GLU 21 1HG GLU 21 3.118 7.779 -7.716 174 H ARG 22 H ARG 22 0.393 8.382 -3.467 175 HA ARG 22 HA ARG 22 -0.803 10.867 -3.641 176 1HB ARG 22 2HB ARG 22 -0.648 8.695 -1.606 177 2HB ARG 22 1HB ARG 22 -1.392 10.211 -1.093 178 1HG ARG 22 2HG ARG 22 -3.267 9.262 -2.001 179 2HG ARG 22 1HG ARG 22 -2.592 9.907 -3.498 180 1HD ARG 22 2HD ARG 22 -1.620 7.783 -4.079 181 2HD ARG 22 1HD ARG 22 -1.970 7.118 -2.471 182 HE ARG 22 HE ARG 22 -4.417 7.436 -3.035 183 1HH1 ARG 22 1HH1 ARG 22 -2.718 8.547 -5.666 184 2HH1 ARG 22 2HH1 ARG 22 -3.499 7.540 -6.840 185 1HH2 ARG 22 1HH2 ARG 22 -5.142 5.606 -4.477 186 2HH2 ARG 22 2HH2 ARG 22 -4.871 5.876 -6.167 187 H ARG 23 H ARG 23 1.726 9.938 -1.285 188 HA ARG 23 HA ARG 23 1.905 12.168 0.333 189 1HB ARG 23 2HB ARG 23 3.373 10.005 0.023 190 2HB ARG 23 1HB ARG 23 4.379 11.060 -0.971 191 1HG ARG 23 2HG ARG 23 5.217 12.112 0.841 192 2HG ARG 23 1HG ARG 23 3.610 12.347 1.529 193 1HD ARG 23 2HD ARG 23 4.873 9.610 1.601 194 2HD ARG 23 1HD ARG 23 5.295 10.822 2.827 195 HE ARG 23 HE ARG 23 2.463 10.019 2.268 196 1HH1 ARG 23 1HH1 ARG 23 3.863 12.323 4.050 197 2HH1 ARG 23 2HH1 ARG 23 3.433 11.710 5.612 198 1HH2 ARG 23 1HH2 ARG 23 2.407 8.622 4.411 199 2HH2 ARG 23 2HH2 ARG 23 2.609 9.615 5.817 200 H ARG 24 H ARG 24 3.704 11.893 -2.766 201 HA ARG 24 HA ARG 24 4.361 14.721 -2.804 202 1HB ARG 24 2HB ARG 24 5.285 12.440 -3.986 203 2HB ARG 24 1HB ARG 24 4.363 13.142 -5.316 204 1HG ARG 24 2HG ARG 24 6.488 14.113 -5.581 205 2HG ARG 24 1HG ARG 24 5.593 15.352 -4.700 206 1HD ARG 24 2HD ARG 24 7.776 15.044 -3.631 207 2HD ARG 24 1HD ARG 24 6.524 14.394 -2.553 208 HE ARG 24 HE ARG 24 7.074 12.131 -3.433 209 1HH1 ARG 24 1HH1 ARG 24 9.573 13.512 -2.216 210 2HH1 ARG 24 2HH1 ARG 24 10.775 13.039 -3.370 211 1HH2 ARG 24 1HH2 ARG 24 8.468 12.039 -5.758 212 2HH2 ARG 24 2HH2 ARG 24 10.149 12.206 -5.377 213 H ALA 25 H ALA 25 1.841 12.709 -4.286 214 HA ALA 25 HA ALA 25 0.757 14.501 -6.160 215 1HB ALA 25 1HB ALA 25 0.154 12.043 -5.115 216 2HB ALA 25 2HB ALA 25 -0.910 12.933 -6.205 217 3HB ALA 25 3HB ALA 25 -1.162 13.018 -4.462 218 H GLU 26 H GLU 26 0.532 14.518 -2.640 219 HA GLU 26 HA GLU 26 -1.451 16.694 -2.674 220 1HB GLU 26 2HB GLU 26 -1.687 16.200 -0.376 221 2HB GLU 26 1HB GLU 26 -1.322 14.633 -1.094 222 1HG GLU 26 2HG GLU 26 1.190 15.702 -0.575 223 2HG GLU 26 1HG GLU 26 0.235 16.201 0.820 224 H GLY 27 H GLY 27 1.989 16.240 -2.394 225 1HA GLY 27 2HA GLY 27 3.353 18.291 -2.826 226 2HA GLY 27 1HA GLY 27 2.262 19.146 -1.733 227 H ALA 28 H ALA 28 4.083 16.065 -1.536 228 HA ALA 28 HA ALA 28 4.517 16.033 1.233 229 1HB ALA 28 1HB ALA 28 5.066 14.322 -0.589 230 2HB ALA 28 2HB ALA 28 6.260 14.473 0.699 231 3HB ALA 28 3HB ALA 28 6.549 15.233 -0.866 232 H LYS 29 H LYS 29 7.054 16.219 2.013 233 HA LYS 29 HA LYS 29 8.114 18.869 1.114 234 1HB LYS 29 2HB LYS 29 6.665 18.291 3.490 235 2HB LYS 29 1HB LYS 29 8.344 18.544 3.967 236 1HG LYS 29 2HG LYS 29 7.675 20.742 3.950 237 2HG LYS 29 1HG LYS 29 8.093 20.591 2.243 238 1HD LYS 29 2HD LYS 29 5.582 19.723 2.068 239 2HD LYS 29 1HD LYS 29 5.397 20.687 3.535 240 1HE LYS 29 2HE LYS 29 5.143 22.471 2.141 241 2HE LYS 29 1HE LYS 29 6.887 22.336 1.838 242 1HZ LYS 29 1HZ LYS 29 5.224 22.125 -0.135 243 2HZ LYS 29 2HZ LYS 29 5.032 20.537 0.435 244 3HZ LYS 29 3HZ LYS 29 6.564 21.090 -0.048 245 H SER 30 H SER 30 8.688 15.970 3.130 246 HA SER 30 HA SER 30 11.622 16.377 2.904 247 1HB SER 30 2HB SER 30 9.698 14.986 4.651 248 2HB SER 30 1HB SER 30 11.171 14.072 4.339 249 HG SER 30 HG SER 30 11.216 15.602 6.154 250 H THR 31 H THR 31 12.980 14.789 1.919 251 HA THR 31 HA THR 31 11.804 13.339 -0.316 252 HB THR 31 HB THR 31 14.590 13.385 0.891 253 HG1 THR 31 1HG THR 31 13.805 14.726 -1.436 254 1HG2 THR 31 1HG2 THR 31 13.396 11.976 -1.389 255 2HG2 THR 31 2HG2 THR 31 14.930 11.689 -0.567 256 3HG2 THR 31 3HG2 THR 31 14.817 12.926 -1.818 257 H ASP 32 H ASP 32 11.835 12.626 2.909 258 HA ASP 32 HA ASP 32 12.800 9.971 3.141 259 1HB ASP 32 2HB ASP 32 10.827 11.754 4.480 260 2HB ASP 32 1HB ASP 32 10.700 10.033 4.846 261 H VAL 33 H VAL 33 10.115 11.173 1.348 262 HA VAL 33 HA VAL 33 8.255 9.050 1.440 263 HB VAL 33 HB VAL 33 9.157 10.993 -0.692 264 1HG1 VAL 33 1HG1 VAL 33 6.986 10.324 -1.856 265 2HG1 VAL 33 2HG1 VAL 33 6.978 8.895 -0.823 266 3HG1 VAL 33 3HG1 VAL 33 8.300 9.150 -1.963 267 1HG2 VAL 33 1HG2 VAL 33 7.931 11.764 1.378 268 2HG2 VAL 33 2HG2 VAL 33 6.568 10.764 0.874 269 3HG2 VAL 33 3HG2 VAL 33 7.089 12.120 -0.129 270 H SER 34 H SER 34 8.159 7.043 0.436 271 HA SER 34 HA SER 34 9.620 6.120 -1.790 272 1HB SER 34 2HB SER 34 11.680 6.486 -0.728 273 2HB SER 34 1HB SER 34 11.042 6.070 0.860 274 HG SER 34 HG SER 34 12.349 4.402 0.022 275 H PHE 35 H PHE 35 8.887 4.038 -2.272 276 HA PHE 35 HA PHE 35 6.706 2.843 -1.077 277 1HB PHE 35 2HB PHE 35 7.721 2.148 -3.200 278 2HB PHE 35 1HB PHE 35 9.128 1.520 -2.343 279 HD1 PHE 35 1HD PHE 35 8.492 -0.635 -3.626 280 HD2 PHE 35 2HD PHE 35 6.069 1.077 -0.517 281 HE1 PHE 35 1HE PHE 35 7.342 -2.812 -3.322 282 HE2 PHE 35 2HE PHE 35 4.923 -1.101 -0.212 283 HZ PHE 35 HZ PHE 35 5.557 -3.044 -1.615 284 H SER 36 H SER 36 10.127 2.210 -0.235 285 HA SER 36 HA SER 36 9.565 0.294 1.839 286 1HB SER 36 2HB SER 36 11.905 2.176 1.394 287 2HB SER 36 1HB SER 36 11.928 0.754 2.432 288 HG SER 36 HG SER 36 11.429 -0.487 0.555 289 H SER 37 H SER 37 9.768 3.822 1.772 290 HA SER 37 HA SER 37 9.806 4.187 4.651 291 1HB SER 37 2HB SER 37 10.519 5.771 2.752 292 2HB SER 37 1HB SER 37 8.805 6.109 2.538 293 HG SER 37 HG SER 37 10.464 7.166 4.291 294 H ILE 38 H ILE 38 7.221 4.656 2.198 295 HA ILE 38 HA ILE 38 5.105 5.119 4.057 296 HB ILE 38 HB ILE 38 5.181 3.949 1.257 297 1HG1 ILE 38 2HG1 ILE 38 6.107 6.209 1.417 298 2HG1 ILE 38 1HG1 ILE 38 4.527 6.278 0.634 299 1HG2 ILE 38 1HG2 ILE 38 2.746 5.139 1.486 300 2HG2 ILE 38 2HG2 ILE 38 2.953 4.521 3.125 301 3HG2 ILE 38 3HG2 ILE 38 3.016 3.417 1.752 302 1HD1 ILE 38 1HD1 ILE 38 5.387 7.389 3.220 303 2HD1 ILE 38 2HD1 ILE 38 3.857 6.513 3.291 304 3HD1 ILE 38 3HD1 ILE 38 4.048 7.870 2.178 305 H SER 39 H SER 39 6.670 2.179 2.985 306 HA SER 39 HA SER 39 4.561 0.351 3.810 307 1HB SER 39 2HB SER 39 6.253 -1.317 3.309 308 2HB SER 39 1HB SER 39 6.380 -0.038 2.104 309 HG SER 39 HG SER 39 8.411 -0.667 3.033 310 H THR 40 H THR 40 7.850 0.838 5.156 311 HA THR 40 HA THR 40 7.542 -0.538 7.568 312 HB THR 40 HB THR 40 9.641 0.401 6.705 313 HG1 THR 40 1HG THR 40 10.109 1.667 8.794 314 1HG2 THR 40 1HG2 THR 40 8.591 2.519 5.859 315 2HG2 THR 40 2HG2 THR 40 10.088 2.778 6.753 316 3HG2 THR 40 3HG2 THR 40 8.534 3.097 7.524 317 H MET 41 H MET 41 6.761 2.914 6.955 318 HA MET 41 HA MET 41 5.923 3.507 9.628 319 1HB MET 41 2HB MET 41 5.099 5.522 8.645 320 2HB MET 41 1HB MET 41 6.483 5.054 7.659 321 1HG MET 41 2HG MET 41 4.906 5.489 6.011 322 2HG MET 41 1HG MET 41 4.657 3.763 6.258 323 1HE MET 41 1HE MET 41 2.448 5.792 4.953 324 2HE MET 41 2HE MET 41 1.068 4.920 5.618 325 3HE MET 41 3HE MET 41 2.482 4.026 5.063 326 H LEU 42 H LEU 42 4.204 2.092 6.865 327 HA LEU 42 HA LEU 42 1.553 2.297 7.991 328 1HB LEU 42 2HB LEU 42 1.627 1.940 5.687 329 2HB LEU 42 1HB LEU 42 2.961 0.795 5.806 330 HG LEU 42 HG LEU 42 1.395 -0.835 6.873 331 1HD1 LEU 42 1HD1 LEU 42 -0.567 1.377 6.246 332 2HD1 LEU 42 2HD1 LEU 42 -0.296 0.572 7.792 333 3HD1 LEU 42 3HD1 LEU 42 -1.076 -0.295 6.469 334 1HD2 LEU 42 1HD2 LEU 42 0.804 -1.650 4.819 335 2HD2 LEU 42 2HD2 LEU 42 1.780 -0.305 4.230 336 3HD2 LEU 42 3HD2 LEU 42 0.027 -0.143 4.335 337 H LEU 43 H LEU 43 3.956 -0.358 7.881 338 HA LEU 43 HA LEU 43 2.487 -2.338 9.234 339 1HB LEU 43 2HB LEU 43 4.923 -2.174 8.159 340 2HB LEU 43 1HB LEU 43 5.387 -1.956 9.848 341 HG LEU 43 HG LEU 43 3.495 -4.032 9.861 342 1HD1 LEU 43 1HD1 LEU 43 4.868 -3.903 7.318 343 2HD1 LEU 43 2HD1 LEU 43 3.645 -5.054 7.856 344 3HD1 LEU 43 3HD1 LEU 43 5.351 -5.360 8.186 345 1HD2 LEU 43 1HD2 LEU 43 6.530 -4.182 9.936 346 2HD2 LEU 43 2HD2 LEU 43 5.416 -5.380 10.597 347 3HD2 LEU 43 3HD2 LEU 43 5.502 -3.770 11.309 348 H GLU 44 H GLU 44 3.813 0.630 10.484 349 HA GLU 44 HA GLU 44 3.987 -0.141 13.268 350 1HB GLU 44 2HB GLU 44 4.216 2.214 11.571 351 2HB GLU 44 1HB GLU 44 3.318 2.597 13.040 352 1HG GLU 44 2HG GLU 44 5.338 1.097 14.077 353 2HG GLU 44 1HG GLU 44 6.163 1.844 12.709 354 H LEU 45 H LEU 45 1.508 0.878 11.065 355 HA LEU 45 HA LEU 45 -0.571 0.959 13.198 356 1HB LEU 45 2HB LEU 45 -0.402 1.770 10.282 357 2HB LEU 45 1HB LEU 45 -1.888 1.876 11.224 358 HG LEU 45 HG LEU 45 0.341 3.063 12.659 359 1HD1 LEU 45 1HD1 LEU 45 -0.359 4.244 9.952 360 2HD1 LEU 45 2HD1 LEU 45 1.182 3.496 10.370 361 3HD1 LEU 45 3HD1 LEU 45 0.683 4.989 11.162 362 1HD2 LEU 45 1HD2 LEU 45 -1.368 5.073 12.306 363 2HD2 LEU 45 2HD2 LEU 45 -1.748 3.743 13.398 364 3HD2 LEU 45 3HD2 LEU 45 -2.431 3.771 11.772 365 H GLY 46 H GLY 46 0.796 -1.110 10.831 366 1HA GLY 46 2HA GLY 46 0.122 -3.183 9.977 367 2HA GLY 46 1HA GLY 46 -0.979 -3.270 11.356 368 H LEU 47 H LEU 47 -1.067 -0.681 8.965 369 HA LEU 47 HA LEU 47 -2.696 -0.138 7.340 370 1HB LEU 47 2HB LEU 47 -3.685 -2.974 7.681 371 2HB LEU 47 1HB LEU 47 -3.749 -1.966 6.238 372 HG LEU 47 HG LEU 47 -1.019 -2.125 7.035 373 1HD1 LEU 47 1HD1 LEU 47 -1.388 -4.853 6.396 374 2HD1 LEU 47 2HD1 LEU 47 -2.524 -4.502 7.700 375 3HD1 LEU 47 3HD1 LEU 47 -0.803 -4.186 7.919 376 1HD2 LEU 47 1HD2 LEU 47 -1.052 -3.560 4.814 377 2HD2 LEU 47 2HD2 LEU 47 -1.432 -1.839 4.761 378 3HD2 LEU 47 3HD2 LEU 47 -2.732 -3.030 4.741 379 H ARG 48 H ARG 48 -4.068 -2.241 9.916 380 HA ARG 48 HA ARG 48 -6.716 -1.468 9.928 381 1HB ARG 48 2HB ARG 48 -5.107 -2.926 11.513 382 2HB ARG 48 1HB ARG 48 -5.287 -1.508 12.546 383 1HG ARG 48 2HG ARG 48 -7.412 -2.051 13.071 384 2HG ARG 48 1HG ARG 48 -7.830 -2.316 11.379 385 1HD ARG 48 2HD ARG 48 -6.179 -4.349 12.884 386 2HD ARG 48 1HD ARG 48 -7.953 -4.370 12.964 387 HE ARG 48 HE ARG 48 -7.293 -4.080 10.242 388 1HH1 ARG 48 1HH1 ARG 48 -5.043 -5.936 11.084 389 2HH1 ARG 48 2HH1 ARG 48 -5.756 -7.488 10.805 390 1HH2 ARG 48 1HH2 ARG 48 -8.994 -6.262 10.615 391 2HH2 ARG 48 2HH2 ARG 48 -7.992 -7.673 10.539 392 H VAL 49 H VAL 49 -4.471 0.113 12.229 393 HA VAL 49 HA VAL 49 -6.080 2.363 12.754 394 HB VAL 49 HB VAL 49 -3.052 2.230 12.636 395 1HG1 VAL 49 1HG1 VAL 49 -3.768 4.457 13.121 396 2HG1 VAL 49 2HG1 VAL 49 -3.354 3.737 14.676 397 3HG1 VAL 49 3HG1 VAL 49 -5.043 3.886 14.197 398 1HG2 VAL 49 1HG2 VAL 49 -3.999 1.704 15.244 399 2HG2 VAL 49 2HG2 VAL 49 -3.196 0.572 14.157 400 3HG2 VAL 49 3HG2 VAL 49 -4.956 0.684 14.170 401 H TYR 50 H TYR 50 -3.711 1.838 10.156 402 HA TYR 50 HA TYR 50 -3.638 4.502 9.127 403 1HB TYR 50 2HB TYR 50 -2.004 2.916 8.434 404 2HB TYR 50 1HB TYR 50 -3.230 1.731 7.988 405 HD1 TYR 50 1HD TYR 50 -1.288 4.596 6.899 406 HD2 TYR 50 2HD TYR 50 -4.717 2.170 5.997 407 HE1 TYR 50 1HE TYR 50 -1.310 5.486 4.584 408 HE2 TYR 50 2HE TYR 50 -4.739 3.061 3.683 409 HH TYR 50 HH TYR 50 -2.608 5.685 2.704 410 H GLU 51 H GLU 51 -5.723 1.718 8.274 411 HA GLU 51 HA GLU 51 -7.211 3.031 6.228 412 1HB GLU 51 2HB GLU 51 -6.907 0.528 7.257 413 2HB GLU 51 1HB GLU 51 -8.491 0.953 7.898 414 1HG GLU 51 2HG GLU 51 -8.292 1.784 5.145 415 2HG GLU 51 1HG GLU 51 -7.879 0.076 5.285 416 H ALA 52 H ALA 52 -7.392 3.141 9.716 417 HA ALA 52 HA ALA 52 -10.128 3.951 10.021 418 1HB ALA 52 1HB ALA 52 -8.168 5.088 11.892 419 2HB ALA 52 2HB ALA 52 -7.939 3.363 11.609 420 3HB ALA 52 3HB ALA 52 -9.488 3.962 12.203 421 H GLN 53 H GLN 53 -7.143 5.774 9.390 422 HA GLN 53 HA GLN 53 -8.476 8.362 9.598 423 1HB GLN 53 2HB GLN 53 -6.232 9.174 8.956 424 2HB GLN 53 1HB GLN 53 -6.120 7.967 10.237 425 1HG GLN 53 2HG GLN 53 -5.138 6.411 8.873 426 2HG GLN 53 1HG GLN 53 -6.049 6.929 7.455 427 1HE2 GLN 53 1HE2 GLN 53 -3.845 6.848 6.351 428 2HE2 GLN 53 2HE2 GLN 53 -2.823 8.195 6.499 429 H MET 54 H MET 54 -8.776 6.028 7.339 430 HA MET 54 HA MET 54 -8.441 7.717 4.931 431 1HB MET 54 2HB MET 54 -9.035 4.850 5.590 432 2HB MET 54 1HB MET 54 -9.435 5.452 3.981 433 1HG MET 54 2HG MET 54 -6.817 6.390 4.687 434 2HG MET 54 1HG MET 54 -6.886 4.648 4.953 435 1HE MET 54 1HE MET 54 -8.183 3.213 3.591 436 2HE MET 54 2HE MET 54 -7.708 2.969 1.912 437 3HE MET 54 3HE MET 54 -9.185 3.855 2.282 438 H GLU 55 H GLU 55 -11.130 5.560 5.879 439 HA GLU 55 HA GLU 55 -13.088 7.728 5.902 440 1HB GLU 55 2HB GLU 55 -14.240 6.802 3.825 441 2HB GLU 55 1HB GLU 55 -12.709 7.626 3.527 442 1HG GLU 55 2HG GLU 55 -11.908 5.759 2.568 443 2HG GLU 55 1HG GLU 55 -12.106 4.905 4.098 444 H ARG 56 H ARG 56 -15.335 6.811 6.168 445 HA ARG 56 HA ARG 56 -15.355 4.607 8.034 446 1HB ARG 56 2HB ARG 56 -17.392 6.295 6.583 447 2HB ARG 56 1HB ARG 56 -17.907 4.950 7.603 448 1HG ARG 56 2HG ARG 56 -16.013 6.279 9.158 449 2HG ARG 56 1HG ARG 56 -16.914 7.580 8.382 450 1HD ARG 56 2HD ARG 56 -18.935 5.844 9.111 451 2HD ARG 56 1HD ARG 56 -17.795 5.700 10.466 452 HE ARG 56 HE ARG 56 -18.762 8.354 9.461 453 1HH1 ARG 56 1HH1 ARG 56 -19.875 6.608 11.858 454 2HH1 ARG 56 2HH1 ARG 56 -19.230 7.521 13.182 455 1HH2 ARG 56 1HH2 ARG 56 -17.047 9.348 11.202 456 2HH2 ARG 56 2HH2 ARG 56 -17.629 9.072 12.810 Start of MODEL 16 1 1H ALA 2 1H ALA 2 10.161 -25.616 -8.633 2 2H ALA 2 2H ALA 2 8.750 -26.474 -9.040 3 3H ALA 2 3H ALA 2 10.275 -27.200 -9.233 4 HA ALA 2 HA ALA 2 8.852 -27.829 -7.179 5 1HB ALA 2 1HB ALA 2 11.116 -27.905 -5.941 6 2HB ALA 2 2HB ALA 2 11.775 -27.072 -7.350 7 3HB ALA 2 3HB ALA 2 11.051 -28.671 -7.527 8 H LYS 3 H LYS 3 8.164 -25.014 -7.523 9 HA LYS 3 HA LYS 3 9.144 -23.671 -5.067 10 1HB LYS 3 2HB LYS 3 7.890 -22.984 -7.637 11 2HB LYS 3 1HB LYS 3 7.240 -22.069 -6.277 12 1HG LYS 3 2HG LYS 3 9.356 -21.174 -5.716 13 2HG LYS 3 1HG LYS 3 10.215 -22.384 -6.672 14 1HD LYS 3 2HD LYS 3 10.289 -20.398 -7.979 15 2HD LYS 3 1HD LYS 3 9.025 -21.385 -8.714 16 1HE LYS 3 2HE LYS 3 7.287 -20.070 -7.763 17 2HE LYS 3 1HE LYS 3 8.391 -19.316 -6.594 18 1HZ LYS 3 1HZ LYS 3 9.551 -18.224 -8.338 19 2HZ LYS 3 2HZ LYS 3 7.898 -17.923 -8.593 20 3HZ LYS 3 3HZ LYS 3 8.709 -19.080 -9.536 21 H VAL 4 H VAL 4 8.103 -24.740 -3.331 22 HA VAL 4 HA VAL 4 5.162 -25.135 -3.447 23 HB VAL 4 HB VAL 4 6.634 -26.926 -2.629 24 1HG1 VAL 4 1HG1 VAL 4 7.508 -26.022 -0.134 25 2HG1 VAL 4 2HG1 VAL 4 7.845 -24.674 -1.222 26 3HG1 VAL 4 3HG1 VAL 4 8.515 -26.271 -1.562 27 1HG2 VAL 4 1HG2 VAL 4 4.967 -25.571 -0.486 28 2HG2 VAL 4 2HG2 VAL 4 5.605 -27.209 -0.344 29 3HG2 VAL 4 3HG2 VAL 4 4.436 -26.825 -1.607 30 H GLN 5 H GLN 5 4.993 -22.631 -3.476 31 HA GLN 5 HA GLN 5 5.260 -21.511 -0.709 32 1HB GLN 5 2HB GLN 5 4.987 -20.146 -3.408 33 2HB GLN 5 1HB GLN 5 5.323 -19.347 -1.873 34 1HG GLN 5 2HG GLN 5 7.210 -21.478 -2.225 35 2HG GLN 5 1HG GLN 5 7.196 -20.490 -3.685 36 1HE2 GLN 5 1HE2 GLN 5 6.670 -17.935 -2.644 37 2HE2 GLN 5 2HE2 GLN 5 7.932 -17.470 -1.608 38 H ALA 6 H ALA 6 3.492 -19.493 -0.709 39 HA ALA 6 HA ALA 6 0.888 -20.288 -1.816 40 1HB ALA 6 1HB ALA 6 1.644 -21.571 0.426 41 2HB ALA 6 2HB ALA 6 -0.037 -21.132 0.119 42 3HB ALA 6 3HB ALA 6 0.965 -20.118 1.158 43 H TYR 7 H TYR 7 1.374 -18.043 -2.633 44 HA TYR 7 HA TYR 7 1.119 -15.691 -2.527 45 1HB TYR 7 2HB TYR 7 -1.018 -17.100 -1.231 46 2HB TYR 7 1HB TYR 7 -0.738 -15.589 -0.363 47 HD1 TYR 7 1HD TYR 7 -0.290 -16.412 -3.985 48 HD2 TYR 7 2HD TYR 7 -2.429 -14.111 -1.057 49 HE1 TYR 7 1HE TYR 7 -1.424 -15.157 -5.800 50 HE2 TYR 7 2HE TYR 7 -3.562 -12.855 -2.870 51 HH TYR 7 HH TYR 7 -2.770 -13.454 -6.291 52 H VAL 8 H VAL 8 3.433 -16.083 -1.356 53 HA VAL 8 HA VAL 8 3.288 -14.941 1.411 54 HB VAL 8 HB VAL 8 5.489 -16.435 -0.053 55 1HG1 VAL 8 1HG1 VAL 8 5.215 -15.304 2.728 56 2HG1 VAL 8 2HG1 VAL 8 6.565 -15.150 1.603 57 3HG1 VAL 8 3HG1 VAL 8 6.267 -16.685 2.419 58 1HG2 VAL 8 1HG2 VAL 8 4.794 -18.380 1.075 59 2HG2 VAL 8 2HG2 VAL 8 3.266 -17.633 0.610 60 3HG2 VAL 8 3HG2 VAL 8 3.860 -17.470 2.262 61 H SER 9 H SER 9 3.849 -14.041 -1.771 62 HA SER 9 HA SER 9 6.135 -12.281 -1.433 63 1HB SER 9 2HB SER 9 5.532 -11.585 -3.676 64 2HB SER 9 1HB SER 9 5.257 -13.322 -3.562 65 HG SER 9 HG SER 9 3.421 -12.507 -4.430 66 H ASP 10 H ASP 10 6.106 -10.020 -1.081 67 HA ASP 10 HA ASP 10 4.114 -8.918 0.610 68 1HB ASP 10 2HB ASP 10 6.186 -7.658 -1.213 69 2HB ASP 10 1HB ASP 10 5.319 -6.781 0.048 70 H GLU 11 H GLU 11 2.138 -9.540 -0.697 71 HA GLU 11 HA GLU 11 1.513 -8.465 -3.253 72 1HB GLU 11 2HB GLU 11 0.328 -10.011 -1.235 73 2HB GLU 11 1HB GLU 11 -0.746 -8.624 -1.418 74 1HG GLU 11 2HG GLU 11 -1.573 -10.087 -3.043 75 2HG GLU 11 1HG GLU 11 -0.469 -9.086 -3.985 76 H ILE 12 H ILE 12 1.479 -6.994 -0.059 77 HA ILE 12 HA ILE 12 -0.250 -4.793 -0.501 78 HB ILE 12 HB ILE 12 1.344 -3.721 1.232 79 1HG1 ILE 12 2HG1 ILE 12 2.505 -6.396 1.708 80 2HG1 ILE 12 1HG1 ILE 12 3.117 -5.578 0.271 81 1HG2 ILE 12 1HG2 ILE 12 -0.646 -5.657 1.425 82 2HG2 ILE 12 2HG2 ILE 12 0.019 -4.720 2.764 83 3HG2 ILE 12 3HG2 ILE 12 0.672 -6.316 2.393 84 1HD1 ILE 12 1HD1 ILE 12 2.884 -3.825 2.622 85 2HD1 ILE 12 2HD1 ILE 12 4.224 -4.015 1.490 86 3HD1 ILE 12 3HD1 ILE 12 4.034 -5.146 2.830 87 H VAL 13 H VAL 13 3.082 -5.319 -1.558 88 HA VAL 13 HA VAL 13 3.991 -2.771 -2.183 89 HB VAL 13 HB VAL 13 4.092 -5.259 -3.922 90 1HG1 VAL 13 1HG1 VAL 13 4.893 -3.129 -4.982 91 2HG1 VAL 13 2HG1 VAL 13 6.168 -4.330 -4.778 92 3HG1 VAL 13 3HG1 VAL 13 6.058 -2.964 -3.669 93 1HG2 VAL 13 1HG2 VAL 13 4.943 -4.913 -1.275 94 2HG2 VAL 13 2HG2 VAL 13 6.403 -4.697 -2.239 95 3HG2 VAL 13 3HG2 VAL 13 5.464 -6.183 -2.382 96 H TYR 14 H TYR 14 1.340 -4.513 -3.658 97 HA TYR 14 HA TYR 14 1.148 -2.931 -6.077 98 1HB TYR 14 2HB TYR 14 -0.046 -5.196 -4.848 99 2HB TYR 14 1HB TYR 14 -1.351 -4.060 -5.194 100 HD1 TYR 14 1HD TYR 14 1.870 -4.819 -6.964 101 HD2 TYR 14 2HD TYR 14 -2.419 -4.704 -7.168 102 HE1 TYR 14 1HE TYR 14 1.968 -5.437 -9.364 103 HE2 TYR 14 2HE TYR 14 -2.321 -5.322 -9.568 104 HH TYR 14 HH TYR 14 0.601 -5.271 -11.360 105 H LYS 15 H LYS 15 -0.834 -2.944 -3.079 106 HA LYS 15 HA LYS 15 -2.246 -0.517 -3.811 107 1HB LYS 15 2HB LYS 15 -3.334 -0.857 -1.718 108 2HB LYS 15 1HB LYS 15 -2.956 -2.476 -2.307 109 1HG LYS 15 2HG LYS 15 -0.946 -2.543 -0.903 110 2HG LYS 15 1HG LYS 15 -1.262 -0.900 -0.346 111 1HD LYS 15 2HD LYS 15 -3.392 -2.993 -0.033 112 2HD LYS 15 1HD LYS 15 -2.053 -2.942 1.113 113 1HE LYS 15 2HE LYS 15 -2.778 -0.986 2.068 114 2HE LYS 15 1HE LYS 15 -3.329 -0.323 0.515 115 1HZ LYS 15 1HZ LYS 15 -5.039 -1.210 2.294 116 2HZ LYS 15 2HZ LYS 15 -4.688 -2.697 1.552 117 3HZ LYS 15 3HZ LYS 15 -5.309 -1.411 0.633 118 H ILE 16 H ILE 16 0.481 -1.230 -1.609 119 HA ILE 16 HA ILE 16 0.686 1.438 -0.537 120 HB ILE 16 HB ILE 16 2.872 -0.633 -0.884 121 1HG1 ILE 16 2HG1 ILE 16 0.604 -0.462 1.116 122 2HG1 ILE 16 1HG1 ILE 16 1.015 -1.819 0.071 123 1HG2 ILE 16 1HG2 ILE 16 3.647 1.514 -0.035 124 2HG2 ILE 16 2HG2 ILE 16 3.629 0.355 1.294 125 3HG2 ILE 16 3HG2 ILE 16 2.342 1.553 1.151 126 1HD1 ILE 16 1HD1 ILE 16 1.775 -2.204 2.397 127 2HD1 ILE 16 2HD1 ILE 16 2.764 -0.747 2.303 128 3HD1 ILE 16 3HD1 ILE 16 3.133 -2.131 1.274 129 H ASN 17 H ASN 17 1.417 0.168 -3.622 130 HA ASN 17 HA ASN 17 3.717 1.746 -4.330 131 1HB ASN 17 2HB ASN 17 1.831 -0.098 -5.499 132 2HB ASN 17 1HB ASN 17 2.068 1.266 -6.593 133 1HD2 ASN 17 1HD2 ASN 17 4.729 1.926 -6.258 134 2HD2 ASN 17 2HD2 ASN 17 5.727 0.608 -6.644 135 H LYS 18 H LYS 18 0.211 2.277 -4.808 136 HA LYS 18 HA LYS 18 0.563 4.878 -6.053 137 1HB LYS 18 2HB LYS 18 -1.898 4.929 -5.816 138 2HB LYS 18 1HB LYS 18 -1.358 3.363 -6.416 139 1HG LYS 18 2HG LYS 18 -1.323 3.299 -3.551 140 2HG LYS 18 1HG LYS 18 -2.896 3.893 -4.084 141 1HD LYS 18 2HD LYS 18 -1.542 1.340 -5.005 142 2HD LYS 18 1HD LYS 18 -2.948 1.451 -3.947 143 1HE LYS 18 2HE LYS 18 -4.179 2.627 -5.809 144 2HE LYS 18 1HE LYS 18 -2.797 2.275 -6.866 145 1HZ LYS 18 1HZ LYS 18 -3.008 -0.081 -6.212 146 2HZ LYS 18 2HZ LYS 18 -4.371 0.490 -7.050 147 3HZ LYS 18 3HZ LYS 18 -4.427 0.298 -5.363 148 H ILE 19 H ILE 19 0.316 3.722 -2.766 149 HA ILE 19 HA ILE 19 -0.597 6.077 -1.445 150 HB ILE 19 HB ILE 19 1.356 3.906 -0.610 151 1HG1 ILE 19 2HG1 ILE 19 -0.972 3.231 -1.383 152 2HG1 ILE 19 1HG1 ILE 19 -0.571 2.771 0.273 153 1HG2 ILE 19 1HG2 ILE 19 -0.042 6.106 0.895 154 2HG2 ILE 19 2HG2 ILE 19 1.635 5.575 1.017 155 3HG2 ILE 19 3HG2 ILE 19 0.345 4.586 1.703 156 1HD1 ILE 19 1HD1 ILE 19 -2.851 3.803 0.041 157 2HD1 ILE 19 2HD1 ILE 19 -2.070 5.300 -0.466 158 3HD1 ILE 19 3HD1 ILE 19 -1.795 4.667 1.158 159 H VAL 20 H VAL 20 2.739 4.994 -2.180 160 HA VAL 20 HA VAL 20 4.112 7.225 -1.063 161 HB VAL 20 HB VAL 20 4.653 5.259 -3.293 162 1HG1 VAL 20 1HG1 VAL 20 6.013 7.759 -2.770 163 2HG1 VAL 20 2HG1 VAL 20 6.329 6.571 -4.034 164 3HG1 VAL 20 3HG1 VAL 20 7.091 6.399 -2.454 165 1HG2 VAL 20 1HG2 VAL 20 4.571 4.561 -0.859 166 2HG2 VAL 20 2HG2 VAL 20 5.958 5.613 -0.585 167 3HG2 VAL 20 3HG2 VAL 20 6.101 4.230 -1.672 168 H GLU 21 H GLU 21 3.833 6.667 -4.572 169 HA GLU 21 HA GLU 21 4.413 9.173 -5.551 170 1HB GLU 21 2HB GLU 21 2.466 7.026 -6.334 171 2HB GLU 21 1HB GLU 21 2.518 8.516 -7.276 172 1HG GLU 21 2HG GLU 21 5.206 7.811 -6.897 173 2HG GLU 21 1HG GLU 21 4.386 6.294 -7.267 174 H ARG 22 H ARG 22 1.213 8.141 -4.334 175 HA ARG 22 HA ARG 22 -0.287 10.457 -4.865 176 1HB ARG 22 2HB ARG 22 -1.225 8.399 -3.969 177 2HB ARG 22 1HB ARG 22 -0.275 8.566 -2.491 178 1HG ARG 22 2HG ARG 22 -1.468 10.692 -1.995 179 2HG ARG 22 1HG ARG 22 -2.460 10.447 -3.432 180 1HD ARG 22 2HD ARG 22 -2.872 8.059 -2.277 181 2HD ARG 22 1HD ARG 22 -2.539 9.009 -0.816 182 HE ARG 22 HE ARG 22 -4.265 10.593 -2.351 183 1HH1 ARG 22 1HH2 ARG 22 -5.096 9.794 0.339 184 2HH1 ARG 22 2HH2 ARG 22 -6.436 8.735 0.049 185 1HH2 ARG 22 1HH1 ARG 22 -5.647 8.218 -3.288 186 2HH2 ARG 22 2HH1 ARG 22 -6.748 7.845 -2.005 187 H ARG 23 H ARG 23 1.761 9.773 -2.006 188 HA ARG 23 HA ARG 23 1.351 12.014 -0.436 189 1HB ARG 23 2HB ARG 23 3.895 10.578 -1.243 190 2HB ARG 23 1HB ARG 23 3.843 11.765 0.060 191 1HG ARG 23 2HG ARG 23 1.672 10.044 0.542 192 2HG ARG 23 1HG ARG 23 3.013 8.989 0.095 193 1HD ARG 23 2HD ARG 23 4.308 9.635 1.920 194 2HD ARG 23 1HD ARG 23 3.523 11.223 2.041 195 HE ARG 23 HE ARG 23 1.986 8.731 2.649 196 1HH1 ARG 23 1HH2 ARG 23 1.456 11.908 2.803 197 2HH1 ARG 23 2HH2 ARG 23 1.286 12.044 4.522 198 1HH2 ARG 23 1HH1 ARG 23 2.520 8.866 5.159 199 2HH2 ARG 23 2HH1 ARG 23 1.886 10.320 5.856 200 H ARG 24 H ARG 24 3.723 11.863 -3.132 201 HA ARG 24 HA ARG 24 4.341 14.671 -3.084 202 1HB ARG 24 2HB ARG 24 5.542 12.605 -4.133 203 2HB ARG 24 1HB ARG 24 4.474 12.879 -5.510 204 1HG ARG 24 2HG ARG 24 5.428 15.419 -4.944 205 2HG ARG 24 1HG ARG 24 6.833 14.392 -4.657 206 1HD ARG 24 2HD ARG 24 5.135 14.265 -7.175 207 2HD ARG 24 1HD ARG 24 6.668 15.148 -7.047 208 HE ARG 24 HE ARG 24 6.525 12.230 -6.403 209 1HH1 ARG 24 1HH2 ARG 24 9.075 13.858 -6.145 210 2HH1 ARG 24 2HH2 ARG 24 9.881 13.467 -7.628 211 1HH2 ARG 24 1HH1 ARG 24 7.037 12.185 -9.143 212 2HH2 ARG 24 2HH1 ARG 24 8.726 12.520 -9.325 213 H ALA 25 H ALA 25 2.266 12.784 -5.335 214 HA ALA 25 HA ALA 25 1.252 14.841 -6.915 215 1HB ALA 25 1HB ALA 25 0.779 12.266 -6.768 216 2HB ALA 25 2HB ALA 25 -0.496 13.323 -7.372 217 3HB ALA 25 3HB ALA 25 -0.547 12.743 -5.708 218 H GLU 26 H GLU 26 0.611 14.144 -3.543 219 HA GLU 26 HA GLU 26 -1.629 16.020 -3.352 220 1HB GLU 26 2HB GLU 26 -0.041 14.354 -1.384 221 2HB GLU 26 1HB GLU 26 -1.427 15.344 -0.922 222 1HG GLU 26 2HG GLU 26 -1.919 13.591 -3.239 223 2HG GLU 26 1HG GLU 26 -1.593 12.729 -1.736 224 H GLY 27 H GLY 27 1.836 16.072 -2.975 225 1HA GLY 27 2HA GLY 27 2.508 18.623 -3.051 226 2HA GLY 27 1HA GLY 27 1.704 18.643 -1.482 227 H ALA 28 H ALA 28 2.669 15.839 -0.931 228 HA ALA 28 HA ALA 28 4.874 16.306 0.685 229 1HB ALA 28 1HB ALA 28 3.381 14.175 0.022 230 2HB ALA 28 2HB ALA 28 4.936 13.998 0.836 231 3HB ALA 28 3HB ALA 28 4.825 13.782 -0.912 232 H LYS 29 H LYS 29 7.140 16.341 0.376 233 HA LYS 29 HA LYS 29 8.162 16.072 -2.417 234 1HB LYS 29 2HB LYS 29 9.408 18.250 -1.975 235 2HB LYS 29 1HB LYS 29 7.663 18.411 -2.161 236 1HG LYS 29 2HG LYS 29 8.436 17.853 0.601 237 2HG LYS 29 1HG LYS 29 9.155 19.344 -0.010 238 1HD LYS 29 2HD LYS 29 6.876 20.040 -0.810 239 2HD LYS 29 1HD LYS 29 6.212 18.621 0.002 240 1HE LYS 29 2HE LYS 29 7.714 20.913 1.317 241 2HE LYS 29 1HE LYS 29 6.000 20.505 1.526 242 1HZ LYS 29 1HZ LYS 29 6.996 19.418 3.296 243 2HZ LYS 29 2HZ LYS 29 8.380 18.997 2.406 244 3HZ LYS 29 3HZ LYS 29 6.909 18.191 2.128 245 H SER 30 H SER 30 10.764 16.979 -1.855 246 HA SER 30 HA SER 30 12.806 16.224 -0.944 247 1HB SER 30 2HB SER 30 12.796 16.244 1.373 248 2HB SER 30 1HB SER 30 11.230 16.993 1.076 249 HG SER 30 HG SER 30 10.889 15.331 2.493 250 H THR 31 H THR 31 13.883 14.173 -0.124 251 HA THR 31 HA THR 31 12.707 11.843 -1.491 252 HB THR 31 HB THR 31 15.087 11.140 -0.176 253 HG1 THR 31 1HG THR 31 15.727 13.099 0.378 254 1HG2 THR 31 1HG2 THR 31 16.060 11.608 -2.508 255 2HG2 THR 31 2HG2 THR 31 14.438 12.147 -2.945 256 3HG2 THR 31 3HG2 THR 31 14.703 10.483 -2.421 257 H ASP 32 H ASP 32 11.274 12.728 0.882 258 HA ASP 32 HA ASP 32 11.982 10.761 2.988 259 1HB ASP 32 2HB ASP 32 11.410 13.142 3.484 260 2HB ASP 32 1HB ASP 32 9.802 12.868 2.809 261 H VAL 33 H VAL 33 9.819 11.136 0.310 262 HA VAL 33 HA VAL 33 7.887 9.140 1.352 263 HB VAL 33 HB VAL 33 8.110 10.935 -1.066 264 1HG1 VAL 33 1HG1 VAL 33 5.576 9.703 -1.076 265 2HG1 VAL 33 2HG1 VAL 33 6.737 8.390 -0.880 266 3HG1 VAL 33 3HG1 VAL 33 6.865 9.483 -2.258 267 1HG2 VAL 33 1HG2 VAL 33 5.611 11.117 0.217 268 2HG2 VAL 33 2HG2 VAL 33 6.940 12.273 0.323 269 3HG2 VAL 33 3HG2 VAL 33 6.794 10.984 1.519 270 H SER 34 H SER 34 7.772 7.040 0.575 271 HA SER 34 HA SER 34 8.830 6.041 -1.861 272 1HB SER 34 2HB SER 34 11.002 6.684 -1.101 273 2HB SER 34 1HB SER 34 10.688 6.092 0.527 274 HG SER 34 HG SER 34 11.003 4.584 -1.857 275 H PHE 35 H PHE 35 8.432 3.762 -2.016 276 HA PHE 35 HA PHE 35 6.432 2.591 -0.500 277 1HB PHE 35 2HB PHE 35 7.436 1.730 -2.614 278 2HB PHE 35 1HB PHE 35 8.855 1.211 -1.703 279 HD1 PHE 35 1HD PHE 35 8.595 -1.160 -2.183 280 HD2 PHE 35 2HD PHE 35 5.432 1.071 -0.322 281 HE1 PHE 35 1HE PHE 35 7.445 -3.279 -1.592 282 HE2 PHE 35 2HE PHE 35 4.286 -1.045 0.268 283 HZ PHE 35 HZ PHE 35 5.286 -3.218 -0.367 284 H SER 36 H SER 36 9.933 1.966 0.007 285 HA SER 36 HA SER 36 9.799 0.434 2.340 286 1HB SER 36 2HB SER 36 11.691 2.215 0.977 287 2HB SER 36 1HB SER 36 11.973 2.123 2.712 288 HG SER 36 HG SER 36 13.062 0.466 1.564 289 H SER 37 H SER 37 9.479 3.947 1.982 290 HA SER 37 HA SER 37 9.402 4.447 4.866 291 1HB SER 37 2HB SER 37 8.508 6.213 2.573 292 2HB SER 37 1HB SER 37 9.079 6.725 4.158 293 HG SER 37 HG SER 37 11.033 6.599 3.419 294 H ILE 38 H ILE 38 6.992 4.563 2.210 295 HA ILE 38 HA ILE 38 4.722 5.078 3.881 296 HB ILE 38 HB ILE 38 5.170 3.866 1.148 297 1HG1 ILE 38 2HG1 ILE 38 5.618 6.283 1.465 298 2HG1 ILE 38 1HG1 ILE 38 4.224 6.023 0.414 299 1HG2 ILE 38 1HG2 ILE 38 3.084 2.937 2.194 300 2HG2 ILE 38 2HG2 ILE 38 2.774 3.931 0.771 301 3HG2 ILE 38 3HG2 ILE 38 2.497 4.589 2.384 302 1HD1 ILE 38 1HD1 ILE 38 3.152 7.455 1.810 303 2HD1 ILE 38 2HD1 ILE 38 4.354 7.253 3.085 304 3HD1 ILE 38 3HD1 ILE 38 3.055 6.073 2.902 305 H SER 39 H SER 39 6.375 2.102 2.944 306 HA SER 39 HA SER 39 4.303 0.298 3.903 307 1HB SER 39 2HB SER 39 5.782 -1.319 3.138 308 2HB SER 39 1HB SER 39 6.392 0.075 2.250 309 HG SER 39 HG SER 39 7.726 -1.419 3.899 310 H THR 40 H THR 40 7.453 1.390 5.206 311 HA THR 40 HA THR 40 7.538 -0.029 7.614 312 HB THR 40 HB THR 40 8.299 2.836 6.966 313 HG1 THR 40 1HG THR 40 10.149 1.969 6.298 314 1HG2 THR 40 1HG2 THR 40 8.671 1.157 9.394 315 2HG2 THR 40 2HG2 THR 40 8.540 2.909 9.246 316 3HG2 THR 40 3HG2 THR 40 10.060 2.102 8.859 317 H MET 41 H MET 41 6.091 3.229 7.166 318 HA MET 41 HA MET 41 4.994 3.460 9.783 319 1HB MET 41 2HB MET 41 3.569 5.187 8.674 320 2HB MET 41 1HB MET 41 5.265 5.314 8.207 321 1HG MET 41 2HG MET 41 4.238 5.425 6.126 322 2HG MET 41 1HG MET 41 4.527 3.690 6.258 323 1HE MET 41 1HE MET 41 1.791 4.323 4.195 324 2HE MET 41 2HE MET 41 2.800 5.663 4.731 325 3HE MET 41 3HE MET 41 1.068 5.695 5.045 326 H LEU 42 H LEU 42 3.790 1.838 6.890 327 HA LEU 42 HA LEU 42 1.064 1.492 7.758 328 1HB LEU 42 2HB LEU 42 2.860 0.693 5.613 329 2HB LEU 42 1HB LEU 42 1.777 -0.625 6.063 330 HG LEU 42 HG LEU 42 0.765 2.184 5.598 331 1HD1 LEU 42 1HD1 LEU 42 0.843 1.919 3.356 332 2HD1 LEU 42 2HD1 LEU 42 0.231 0.268 3.463 333 3HD1 LEU 42 3HD1 LEU 42 1.957 0.583 3.646 334 1HD2 LEU 42 1HD2 LEU 42 -0.369 -0.250 6.534 335 2HD2 LEU 42 2HD2 LEU 42 -1.012 0.023 4.915 336 3HD2 LEU 42 3HD2 LEU 42 -1.211 1.255 6.161 337 H LEU 43 H LEU 43 3.856 -0.768 7.802 338 HA LEU 43 HA LEU 43 2.445 -2.847 9.208 339 1HB LEU 43 2HB LEU 43 4.477 -3.095 7.776 340 2HB LEU 43 1HB LEU 43 5.416 -2.276 9.027 341 HG LEU 43 HG LEU 43 4.012 -4.236 10.421 342 1HD1 LEU 43 1HD1 LEU 43 4.907 -6.275 9.003 343 2HD1 LEU 43 2HD1 LEU 43 4.753 -5.147 7.656 344 3HD1 LEU 43 3HD1 LEU 43 3.339 -5.561 8.624 345 1HD2 LEU 43 1HD2 LEU 43 6.272 -5.319 10.568 346 2HD2 LEU 43 2HD2 LEU 43 6.323 -3.580 10.853 347 3HD2 LEU 43 3HD2 LEU 43 6.834 -4.233 9.297 348 H GLU 44 H GLU 44 4.758 -0.347 10.345 349 HA GLU 44 HA GLU 44 4.938 -1.127 13.050 350 1HB GLU 44 2HB GLU 44 5.564 1.202 13.420 351 2HB GLU 44 1HB GLU 44 6.190 0.706 11.849 352 1HG GLU 44 2HG GLU 44 4.534 1.896 10.676 353 2HG GLU 44 1HG GLU 44 3.483 2.011 12.087 354 H LEU 45 H LEU 45 2.330 0.276 11.258 355 HA LEU 45 HA LEU 45 0.758 0.824 13.727 356 1HB LEU 45 2HB LEU 45 0.382 2.643 12.400 357 2HB LEU 45 1HB LEU 45 0.956 1.811 10.960 358 HG LEU 45 HG LEU 45 -1.224 0.619 10.818 359 1HD1 LEU 45 1HD1 LEU 45 -2.421 2.566 12.739 360 2HD1 LEU 45 2HD1 LEU 45 -1.546 1.199 13.421 361 3HD1 LEU 45 3HD1 LEU 45 -2.922 0.921 12.353 362 1HD2 LEU 45 1HD2 LEU 45 -2.328 3.273 10.839 363 2HD2 LEU 45 2HD2 LEU 45 -1.816 2.312 9.451 364 3HD2 LEU 45 3HD2 LEU 45 -0.658 3.359 10.275 365 H GLY 46 H GLY 46 1.130 -1.475 11.148 366 1HA GLY 46 2HA GLY 46 0.100 -3.607 11.000 367 2HA GLY 46 1HA GLY 46 -0.995 -3.138 12.301 368 H LEU 47 H LEU 47 -0.724 -0.860 9.733 369 HA LEU 47 HA LEU 47 -2.327 -0.158 8.138 370 1HB LEU 47 2HB LEU 47 -1.529 -2.130 7.011 371 2HB LEU 47 1HB LEU 47 -2.463 -3.185 8.071 372 HG LEU 47 HG LEU 47 -4.524 -2.533 7.085 373 1HD1 LEU 47 1HD1 LEU 47 -3.019 -0.366 5.588 374 2HD1 LEU 47 2HD1 LEU 47 -3.974 -0.087 7.045 375 3HD1 LEU 47 3HD1 LEU 47 -4.761 -0.645 5.570 376 1HD2 LEU 47 1HD2 LEU 47 -2.683 -3.823 5.635 377 2HD2 LEU 47 2HD2 LEU 47 -2.855 -2.397 4.612 378 3HD2 LEU 47 3HD2 LEU 47 -4.259 -3.404 4.964 379 H ARG 48 H ARG 48 -3.165 -0.909 11.075 380 HA ARG 48 HA ARG 48 -5.937 -1.750 10.879 381 1HB ARG 48 2HB ARG 48 -4.656 -2.188 12.864 382 2HB ARG 48 1HB ARG 48 -4.213 -0.488 13.024 383 1HG ARG 48 2HG ARG 48 -6.143 0.017 14.086 384 2HG ARG 48 1HG ARG 48 -7.109 -0.882 12.916 385 1HD ARG 48 2HD ARG 48 -5.533 -2.145 15.190 386 2HD ARG 48 1HD ARG 48 -7.291 -1.892 15.180 387 HE ARG 48 HE ARG 48 -7.042 -3.227 12.873 388 1HH1 ARG 48 1HH2 ARG 48 -4.279 -3.794 14.433 389 2HH1 ARG 48 2HH2 ARG 48 -4.569 -5.451 14.842 390 1HH2 ARG 48 1HH1 ARG 48 -7.936 -5.340 14.026 391 2HH2 ARG 48 2HH1 ARG 48 -6.639 -6.327 14.613 392 H VAL 49 H VAL 49 -5.278 1.136 12.727 393 HA VAL 49 HA VAL 49 -7.528 2.596 12.141 394 HB VAL 49 HB VAL 49 -6.225 4.542 12.781 395 1HG1 VAL 49 1HG1 VAL 49 -4.670 2.436 14.191 396 2HG1 VAL 49 2HG1 VAL 49 -6.427 2.313 14.285 397 3HG1 VAL 49 3HG1 VAL 49 -5.613 3.771 14.852 398 1HG2 VAL 49 1HG2 VAL 49 -3.951 2.872 11.729 399 2HG2 VAL 49 2HG2 VAL 49 -3.648 4.144 12.913 400 3HG2 VAL 49 3HG2 VAL 49 -4.359 4.544 11.348 401 H TYR 50 H TYR 50 -4.651 2.322 10.087 402 HA TYR 50 HA TYR 50 -5.157 4.354 8.201 403 1HB TYR 50 2HB TYR 50 -3.124 3.017 8.276 404 2HB TYR 50 1HB TYR 50 -4.033 1.552 7.904 405 HD1 TYR 50 1HD TYR 50 -2.305 4.400 6.548 406 HD2 TYR 50 2HD TYR 50 -5.295 1.444 5.673 407 HE1 TYR 50 1HE TYR 50 -2.043 4.855 4.124 408 HE2 TYR 50 2HE TYR 50 -5.034 1.899 3.250 409 HH TYR 50 HH TYR 50 -3.882 4.449 1.972 410 H GLU 51 H GLU 51 -6.127 0.900 7.872 411 HA GLU 51 HA GLU 51 -7.792 1.292 5.600 412 1HB GLU 51 2HB GLU 51 -6.745 -0.765 7.036 413 2HB GLU 51 1HB GLU 51 -8.425 -0.836 7.556 414 1HG GLU 51 2HG GLU 51 -8.276 -0.404 4.704 415 2HG GLU 51 1HG GLU 51 -7.349 -1.834 5.155 416 H ALA 52 H ALA 52 -8.368 1.696 9.046 417 HA ALA 52 HA ALA 52 -11.264 1.672 8.923 418 1HB ALA 52 1HB ALA 52 -9.203 1.768 10.834 419 2HB ALA 52 2HB ALA 52 -10.935 1.724 11.162 420 3HB ALA 52 3HB ALA 52 -10.097 3.273 11.051 421 H GLN 53 H GLN 53 -8.886 4.345 9.179 422 HA GLN 53 HA GLN 53 -10.967 6.160 8.068 423 1HB GLN 53 2HB GLN 53 -9.618 7.898 9.404 424 2HB GLN 53 1HB GLN 53 -10.553 6.735 10.345 425 1HG GLN 53 2HG GLN 53 -8.674 5.576 11.042 426 2HG GLN 53 1HG GLN 53 -7.741 6.023 9.615 427 1HE2 GLN 53 1HE2 GLN 53 -6.674 8.120 9.608 428 2HE2 GLN 53 2HE2 GLN 53 -6.520 9.045 11.023 429 H MET 54 H MET 54 -9.394 4.793 6.247 430 HA MET 54 HA MET 54 -6.903 6.065 5.579 431 1HB MET 54 2HB MET 54 -7.214 4.839 3.471 432 2HB MET 54 1HB MET 54 -7.700 3.822 4.830 433 1HG MET 54 2HG MET 54 -10.044 4.346 4.447 434 2HG MET 54 1HG MET 54 -9.615 5.495 3.180 435 1HE MET 54 1HE MET 54 -9.635 5.010 0.868 436 2HE MET 54 2HE MET 54 -11.180 4.413 1.467 437 3HE MET 54 3HE MET 54 -10.292 3.485 0.261 438 H GLU 55 H GLU 55 -10.260 6.859 4.912 439 HA GLU 55 HA GLU 55 -11.222 8.614 3.642 440 1HB GLU 55 2HB GLU 55 -8.759 9.675 5.018 441 2HB GLU 55 1HB GLU 55 -9.770 10.748 4.051 442 1HG GLU 55 2HG GLU 55 -11.753 9.913 5.405 443 2HG GLU 55 1HG GLU 55 -10.588 9.140 6.481 444 H ARG 56 H ARG 56 -10.247 10.602 2.083 445 HA ARG 56 HA ARG 56 -8.034 9.826 0.373 446 1HB ARG 56 2HB ARG 56 -9.593 9.308 -1.591 447 2HB ARG 56 1HB ARG 56 -9.531 8.085 -0.322 448 1HG ARG 56 2HG ARG 56 -11.561 9.113 0.710 449 2HG ARG 56 1HG ARG 56 -11.653 10.224 -0.657 450 1HD ARG 56 2HD ARG 56 -11.472 7.291 -1.251 451 2HD ARG 56 1HD ARG 56 -13.026 7.946 -0.696 452 HE ARG 56 HE ARG 56 -13.129 9.297 -2.668 453 1HH1 ARG 56 1HH1 ARG 56 -10.966 6.791 -3.003 454 2HH1 ARG 56 2HH1 ARG 56 -10.055 7.497 -4.298 455 1HH2 ARG 56 1HH2 ARG 56 -11.597 10.593 -4.045 456 2HH2 ARG 56 2HH2 ARG 56 -10.413 9.651 -4.887 Start of MODEL 17 1 1H ALA 2 1H ALA 2 3.531 -17.816 -17.842 2 2H ALA 2 2H ALA 2 3.741 -19.201 -16.880 3 3H ALA 2 3H ALA 2 5.067 -18.199 -17.237 4 HA ALA 2 HA ALA 2 4.336 -16.496 -15.824 5 1HB ALA 2 1HB ALA 2 1.768 -17.570 -15.048 6 2HB ALA 2 2HB ALA 2 1.866 -17.477 -16.806 7 3HB ALA 2 3HB ALA 2 2.124 -16.031 -15.831 8 H LYS 3 H LYS 3 2.607 -19.500 -14.909 9 HA LYS 3 HA LYS 3 2.882 -20.894 -13.019 10 1HB LYS 3 2HB LYS 3 5.743 -19.913 -13.190 11 2HB LYS 3 1HB LYS 3 5.177 -21.479 -12.607 12 1HG LYS 3 2HG LYS 3 4.199 -21.811 -14.963 13 2HG LYS 3 1HG LYS 3 5.206 -20.444 -15.442 14 1HD LYS 3 2HD LYS 3 6.444 -22.699 -13.897 15 2HD LYS 3 1HD LYS 3 6.155 -22.897 -15.626 16 1HE LYS 3 2HE LYS 3 7.295 -20.467 -15.706 17 2HE LYS 3 1HE LYS 3 8.064 -21.076 -14.227 18 1HZ LYS 3 1HZ LYS 3 9.425 -22.038 -15.756 19 2HZ LYS 3 2HZ LYS 3 8.231 -22.100 -16.963 20 3HZ LYS 3 3HZ LYS 3 8.228 -23.239 -15.701 21 H VAL 4 H VAL 4 4.026 -20.777 -10.672 22 HA VAL 4 HA VAL 4 4.074 -19.652 -8.594 23 HB VAL 4 HB VAL 4 4.599 -17.220 -10.318 24 1HG1 VAL 4 1HG1 VAL 4 4.711 -16.413 -8.178 25 2HG1 VAL 4 2HG1 VAL 4 6.328 -17.116 -8.237 26 3HG1 VAL 4 3HG1 VAL 4 5.005 -18.007 -7.483 27 1HG2 VAL 4 1HG2 VAL 4 7.063 -18.291 -9.669 28 2HG2 VAL 4 2HG2 VAL 4 6.280 -18.435 -11.242 29 3HG2 VAL 4 3HG2 VAL 4 6.113 -19.726 -10.053 30 H GLN 5 H GLN 5 1.600 -20.061 -8.786 31 HA GLN 5 HA GLN 5 -0.608 -19.259 -8.505 32 1HB GLN 5 2HB GLN 5 0.947 -16.789 -7.672 33 2HB GLN 5 1HB GLN 5 -0.685 -17.220 -7.160 34 1HG GLN 5 2HG GLN 5 0.079 -19.066 -5.885 35 2HG GLN 5 1HG GLN 5 1.660 -19.056 -6.669 36 1HE2 GLN 5 1HE2 GLN 5 0.395 -18.401 -3.750 37 2HE2 GLN 5 2HE2 GLN 5 1.352 -17.085 -3.272 38 H ALA 6 H ALA 6 -2.078 -17.290 -9.157 39 HA ALA 6 HA ALA 6 -1.105 -16.154 -11.761 40 1HB ALA 6 1HB ALA 6 -2.612 -17.843 -12.376 41 2HB ALA 6 2HB ALA 6 -3.665 -16.429 -12.295 42 3HB ALA 6 3HB ALA 6 -3.629 -17.580 -10.960 43 H TYR 7 H TYR 7 -0.617 -14.158 -10.571 44 HA TYR 7 HA TYR 7 -1.159 -12.038 -9.663 45 1HB TYR 7 2HB TYR 7 -2.631 -12.659 -11.961 46 2HB TYR 7 1HB TYR 7 -3.827 -12.001 -10.845 47 HD1 TYR 7 1HD TYR 7 -4.172 -9.715 -11.031 48 HD2 TYR 7 2HD TYR 7 -0.240 -11.294 -11.735 49 HE1 TYR 7 1HE TYR 7 -3.332 -7.424 -11.475 50 HE2 TYR 7 2HE TYR 7 0.600 -9.002 -12.179 51 HH TYR 7 HH TYR 7 0.091 -6.851 -12.305 52 H VAL 8 H VAL 8 -1.388 -13.035 -7.461 53 HA VAL 8 HA VAL 8 -3.887 -12.324 -6.208 54 HB VAL 8 HB VAL 8 -4.423 -14.437 -7.526 55 1HG1 VAL 8 1HG1 VAL 8 -3.311 -16.210 -5.517 56 2HG1 VAL 8 2HG1 VAL 8 -2.033 -15.298 -6.322 57 3HG1 VAL 8 3HG1 VAL 8 -3.149 -16.279 -7.272 58 1HG2 VAL 8 1HG2 VAL 8 -5.637 -13.615 -5.433 59 2HG2 VAL 8 2HG2 VAL 8 -4.674 -14.785 -4.529 60 3HG2 VAL 8 3HG2 VAL 8 -5.791 -15.339 -5.776 61 H SER 9 H SER 9 -1.110 -11.836 -5.696 62 HA SER 9 HA SER 9 -0.583 -13.454 -3.231 63 1HB SER 9 2HB SER 9 1.354 -11.595 -4.595 64 2HB SER 9 1HB SER 9 1.695 -13.046 -3.656 65 HG SER 9 HG SER 9 1.853 -13.217 -6.023 66 H ASP 10 H ASP 10 1.138 -11.648 -1.965 67 HA ASP 10 HA ASP 10 -0.618 -9.965 -0.508 68 1HB ASP 10 2HB ASP 10 2.258 -10.519 -0.773 69 2HB ASP 10 1HB ASP 10 1.910 -8.877 -0.227 70 H GLU 11 H GLU 11 -1.766 -8.883 -2.358 71 HA GLU 11 HA GLU 11 -0.481 -7.082 -4.172 72 1HB GLU 11 2HB GLU 11 -3.154 -7.823 -3.250 73 2HB GLU 11 1HB GLU 11 -3.047 -6.112 -3.664 74 1HG GLU 11 2HG GLU 11 -2.219 -8.423 -5.444 75 2HG GLU 11 1HG GLU 11 -3.660 -7.425 -5.648 76 H ILE 12 H ILE 12 -0.880 -6.875 -0.793 77 HA ILE 12 HA ILE 12 -1.419 -4.179 -0.244 78 HB ILE 12 HB ILE 12 0.425 -6.245 0.970 79 1HG1 ILE 12 2HG1 ILE 12 -2.080 -6.530 1.025 80 2HG1 ILE 12 1HG1 ILE 12 -1.338 -6.430 2.622 81 1HG2 ILE 12 1HG2 ILE 12 0.389 -4.692 3.000 82 2HG2 ILE 12 2HG2 ILE 12 -0.158 -3.427 1.900 83 3HG2 ILE 12 3HG2 ILE 12 1.417 -4.185 1.661 84 1HD1 ILE 12 1HD1 ILE 12 -2.765 -4.745 3.078 85 2HD1 ILE 12 2HD1 ILE 12 -3.294 -4.665 1.398 86 3HD1 ILE 12 3HD1 ILE 12 -1.867 -3.769 1.916 87 H VAL 13 H VAL 13 1.754 -5.651 -1.037 88 HA VAL 13 HA VAL 13 3.468 -3.485 -0.808 89 HB VAL 13 HB VAL 13 4.671 -4.559 -2.735 90 1HG1 VAL 13 1HG1 VAL 13 3.447 -6.317 -0.596 91 2HG1 VAL 13 2HG1 VAL 13 5.027 -5.534 -0.575 92 3HG1 VAL 13 3HG1 VAL 13 4.721 -6.877 -1.678 93 1HG2 VAL 13 1HG2 VAL 13 1.970 -5.840 -3.011 94 2HG2 VAL 13 2HG2 VAL 13 3.402 -6.766 -3.456 95 3HG2 VAL 13 3HG2 VAL 13 3.053 -5.240 -4.266 96 H TYR 14 H TYR 14 1.263 -4.160 -3.532 97 HA TYR 14 HA TYR 14 2.038 -1.836 -5.079 98 1HB TYR 14 2HB TYR 14 0.809 -4.116 -5.640 99 2HB TYR 14 1HB TYR 14 -0.640 -3.178 -5.271 100 HD1 TYR 14 1HD TYR 14 -0.620 -0.713 -6.351 101 HD2 TYR 14 2HD TYR 14 1.551 -4.105 -7.845 102 HE1 TYR 14 1HE TYR 14 -0.510 0.344 -8.593 103 HE2 TYR 14 2HE TYR 14 1.662 -3.048 -10.086 104 HH TYR 14 HH TYR 14 1.459 -0.981 -11.152 105 H LYS 15 H LYS 15 -0.569 -2.515 -2.751 106 HA LYS 15 HA LYS 15 -2.116 -0.162 -3.109 107 1HB LYS 15 2HB LYS 15 -1.987 -2.410 -1.425 108 2HB LYS 15 1HB LYS 15 -1.902 -1.022 -0.340 109 1HG LYS 15 2HG LYS 15 -3.910 -0.061 -1.425 110 2HG LYS 15 1HG LYS 15 -4.007 -1.477 -2.473 111 1HD LYS 15 2HD LYS 15 -5.306 -2.393 -0.864 112 2HD LYS 15 1HD LYS 15 -3.817 -2.582 0.063 113 1HE LYS 15 2HE LYS 15 -4.557 0.100 0.457 114 2HE LYS 15 1HE LYS 15 -6.067 -0.821 0.587 115 1HZ LYS 15 1HZ LYS 15 -4.535 -2.467 1.887 116 2HZ LYS 15 2HZ LYS 15 -5.214 -1.124 2.678 117 3HZ LYS 15 3HZ LYS 15 -3.598 -1.078 2.157 118 H ILE 16 H ILE 16 0.904 -0.689 -1.349 119 HA ILE 16 HA ILE 16 0.839 1.859 0.063 120 HB ILE 16 HB ILE 16 3.167 0.028 -0.593 121 1HG1 ILE 16 2HG1 ILE 16 1.040 -0.119 1.559 122 2HG1 ILE 16 1HG1 ILE 16 1.467 -1.359 0.378 123 1HG2 ILE 16 1HG2 ILE 16 2.830 1.557 1.960 124 2HG2 ILE 16 2HG2 ILE 16 3.347 2.436 0.520 125 3HG2 ILE 16 3HG2 ILE 16 4.310 1.087 1.123 126 1HD1 ILE 16 1HD1 ILE 16 2.442 -1.936 2.542 127 2HD1 ILE 16 2HD1 ILE 16 3.223 -0.356 2.638 128 3HD1 ILE 16 3HD1 ILE 16 3.730 -1.518 1.410 129 H ASN 17 H ASN 17 2.346 0.652 -2.928 130 HA ASN 17 HA ASN 17 4.062 2.752 -3.597 131 1HB ASN 17 2HB ASN 17 2.169 1.057 -5.244 132 2HB ASN 17 1HB ASN 17 3.387 2.103 -5.974 133 1HD2 ASN 17 1HD2 ASN 17 4.683 0.328 -6.792 134 2HD2 ASN 17 2HD2 ASN 17 5.548 -0.702 -5.755 135 H LYS 18 H LYS 18 0.524 2.646 -3.859 136 HA LYS 18 HA LYS 18 0.293 5.170 -5.286 137 1HB LYS 18 2HB LYS 18 -1.676 3.548 -3.639 138 2HB LYS 18 1HB LYS 18 -2.106 4.826 -4.776 139 1HG LYS 18 2HG LYS 18 -1.779 3.493 -6.588 140 2HG LYS 18 1HG LYS 18 -0.333 2.753 -5.897 141 1HD LYS 18 2HD LYS 18 -1.583 1.180 -4.659 142 2HD LYS 18 1HD LYS 18 -3.074 2.109 -4.820 143 1HE LYS 18 2HE LYS 18 -1.738 1.117 -7.319 144 2HE LYS 18 1HE LYS 18 -2.690 -0.022 -6.346 145 1HZ LYS 18 1HZ LYS 18 -4.533 1.517 -6.366 146 2HZ LYS 18 2HZ LYS 18 -4.072 1.173 -7.964 147 3HZ LYS 18 3HZ LYS 18 -3.631 2.649 -7.249 148 H ILE 19 H ILE 19 0.624 4.250 -1.933 149 HA ILE 19 HA ILE 19 -0.550 6.606 -0.742 150 HB ILE 19 HB ILE 19 1.586 4.674 0.226 151 1HG1 ILE 19 2HG1 ILE 19 -0.610 3.666 -0.506 152 2HG1 ILE 19 1HG1 ILE 19 -0.250 3.429 1.204 153 1HG2 ILE 19 1HG2 ILE 19 1.651 5.927 2.093 154 2HG2 ILE 19 2HG2 ILE 19 -0.081 5.672 2.311 155 3HG2 ILE 19 3HG2 ILE 19 0.497 7.060 1.388 156 1HD1 ILE 19 1HD1 ILE 19 -2.604 4.470 0.233 157 2HD1 ILE 19 2HD1 ILE 19 -1.694 5.928 0.629 158 3HD1 ILE 19 3HD1 ILE 19 -1.997 4.713 1.872 159 H VAL 20 H VAL 20 2.867 5.688 -1.351 160 HA VAL 20 HA VAL 20 4.015 8.171 -0.510 161 HB VAL 20 HB VAL 20 5.024 6.257 -2.631 162 1HG1 VAL 20 1HG1 VAL 20 6.385 8.037 -0.590 163 2HG1 VAL 20 2HG1 VAL 20 6.402 8.240 -2.343 164 3HG1 VAL 20 3HG1 VAL 20 7.226 6.867 -1.606 165 1HG2 VAL 20 1HG2 VAL 20 4.725 4.669 -1.029 166 2HG2 VAL 20 2HG2 VAL 20 4.497 5.867 0.245 167 3HG2 VAL 20 3HG2 VAL 20 6.125 5.421 -0.264 168 H GLU 21 H GLU 21 3.071 6.994 -3.751 169 HA GLU 21 HA GLU 21 3.904 9.267 -5.241 170 1HB GLU 21 2HB GLU 21 2.730 6.797 -5.673 171 2HB GLU 21 1HB GLU 21 1.461 7.923 -6.157 172 1HG GLU 21 2HG GLU 21 4.298 8.309 -7.093 173 2HG GLU 21 1HG GLU 21 3.208 7.214 -7.944 174 H ARG 22 H ARG 22 0.877 8.600 -3.500 175 HA ARG 22 HA ARG 22 -0.866 10.542 -4.407 176 1HB ARG 22 2HB ARG 22 -0.297 9.118 -1.932 177 2HB ARG 22 1HB ARG 22 -0.977 10.713 -1.607 178 1HG ARG 22 2HG ARG 22 -2.705 10.092 -3.458 179 2HG ARG 22 1HG ARG 22 -2.180 8.433 -3.162 180 1HD ARG 22 2HD ARG 22 -2.805 8.587 -0.816 181 2HD ARG 22 1HD ARG 22 -3.177 10.312 -0.992 182 HE ARG 22 HE ARG 22 -4.783 9.314 -2.900 183 1HH1 ARG 22 1HH2 ARG 22 -4.471 6.571 -1.667 184 2HH1 ARG 22 2HH2 ARG 22 -5.839 6.508 -0.608 185 1HH2 ARG 22 1HH1 ARG 22 -6.399 9.929 -0.697 186 2HH2 ARG 22 2HH1 ARG 22 -6.932 8.410 -0.059 187 H ARG 23 H ARG 23 1.762 11.105 -2.033 188 HA ARG 23 HA ARG 23 1.440 13.789 -1.440 189 1HB ARG 23 2HB ARG 23 3.447 11.835 -1.329 190 2HB ARG 23 1HB ARG 23 4.185 13.175 -2.205 191 1HG ARG 23 2HG ARG 23 4.623 13.782 0.003 192 2HG ARG 23 1HG ARG 23 3.110 14.637 -0.298 193 1HD ARG 23 2HD ARG 23 2.651 13.557 1.740 194 2HD ARG 23 1HD ARG 23 2.019 12.381 0.571 195 HE ARG 23 HE ARG 23 4.591 11.567 0.732 196 1HH1 ARG 23 1HH2 ARG 23 1.943 11.134 2.640 197 2HH1 ARG 23 2HH2 ARG 23 2.797 10.750 4.098 198 1HH2 ARG 23 1HH1 ARG 23 5.893 11.676 2.839 199 2HH2 ARG 23 2HH1 ARG 23 5.035 11.057 4.211 200 H ARG 24 H ARG 24 3.049 12.486 -4.367 201 HA ARG 24 HA ARG 24 3.424 15.102 -5.572 202 1HB ARG 24 2HB ARG 24 3.393 12.342 -6.832 203 2HB ARG 24 1HB ARG 24 4.205 13.775 -7.460 204 1HG ARG 24 2HG ARG 24 6.008 13.421 -6.155 205 2HG ARG 24 1HG ARG 24 5.003 13.237 -4.717 206 1HD ARG 24 2HD ARG 24 5.438 11.015 -4.756 207 2HD ARG 24 1HD ARG 24 4.602 10.909 -6.317 208 HE ARG 24 HE ARG 24 7.445 11.812 -6.239 209 1HH1 ARG 24 1HH1 ARG 24 5.443 11.071 -8.589 210 2HH1 ARG 24 2HH1 ARG 24 6.208 9.619 -9.145 211 1HH2 ARG 24 1HH2 ARG 24 8.243 9.308 -6.354 212 2HH2 ARG 24 2HH2 ARG 24 7.795 8.622 -7.880 213 H ALA 25 H ALA 25 1.141 12.415 -6.146 214 HA ALA 25 HA ALA 25 -0.342 13.613 -8.250 215 1HB ALA 25 1HB ALA 25 -2.044 12.104 -6.508 216 2HB ALA 25 2HB ALA 25 -0.446 11.356 -6.494 217 3HB ALA 25 3HB ALA 25 -1.303 11.581 -8.019 218 H GLU 26 H GLU 26 -0.115 14.493 -4.930 219 HA GLU 26 HA GLU 26 -2.538 16.197 -5.211 220 1HB GLU 26 2HB GLU 26 -3.000 15.790 -2.917 221 2HB GLU 26 1HB GLU 26 -2.505 14.223 -3.556 222 1HG GLU 26 2HG GLU 26 -1.005 14.192 -1.860 223 2HG GLU 26 1HG GLU 26 -0.097 15.364 -2.816 224 H GLY 27 H GLY 27 0.813 16.302 -5.106 225 1HA GLY 27 2HA GLY 27 1.408 18.874 -5.250 226 2HA GLY 27 1HA GLY 27 0.870 18.857 -3.571 227 H ALA 28 H ALA 28 3.031 16.937 -5.674 228 HA ALA 28 HA ALA 28 4.686 15.713 -3.849 229 1HB ALA 28 1HB ALA 28 6.075 15.467 -5.667 230 2HB ALA 28 2HB ALA 28 6.034 17.186 -6.056 231 3HB ALA 28 3HB ALA 28 4.686 16.146 -6.516 232 H LYS 29 H LYS 29 6.290 16.323 -2.418 233 HA LYS 29 HA LYS 29 7.739 18.798 -2.458 234 1HB LYS 29 2HB LYS 29 5.276 19.449 -1.954 235 2HB LYS 29 1HB LYS 29 5.551 18.717 -0.373 236 1HG LYS 29 2HG LYS 29 7.716 20.518 -1.172 237 2HG LYS 29 1HG LYS 29 6.157 21.335 -1.059 238 1HD LYS 29 2HD LYS 29 6.046 19.844 1.193 239 2HD LYS 29 1HD LYS 29 7.790 20.074 1.076 240 1HE LYS 29 2HE LYS 29 7.305 22.571 0.748 241 2HE LYS 29 1HE LYS 29 5.647 22.205 1.268 242 1HZ LYS 29 1HZ LYS 29 8.159 21.964 2.776 243 2HZ LYS 29 2HZ LYS 29 6.888 20.895 3.128 244 3HZ LYS 29 3HZ LYS 29 6.659 22.571 3.281 245 H SER 30 H SER 30 6.114 16.874 0.088 246 HA SER 30 HA SER 30 8.796 16.356 1.305 247 1HB SER 30 2HB SER 30 7.410 15.901 3.338 248 2HB SER 30 1HB SER 30 7.138 17.519 2.697 249 HG SER 30 HG SER 30 5.126 16.931 2.605 250 H THR 31 H THR 31 7.942 14.886 -0.990 251 HA THR 31 HA THR 31 7.091 12.234 0.084 252 HB THR 31 HB THR 31 5.981 13.434 -1.878 253 HG1 THR 31 1HG THR 31 5.926 11.130 -1.502 254 1HG2 THR 31 1HG2 THR 31 7.922 14.341 -2.978 255 2HG2 THR 31 2HG2 THR 31 7.206 13.148 -4.063 256 3HG2 THR 31 3HG2 THR 31 8.646 12.740 -3.131 257 H ASP 32 H ASP 32 9.912 13.728 -0.065 258 HA ASP 32 HA ASP 32 11.727 12.407 -1.703 259 1HB ASP 32 2HB ASP 32 12.302 14.204 -0.161 260 2HB ASP 32 1HB ASP 32 11.915 13.184 1.225 261 H VAL 33 H VAL 33 9.911 11.103 0.983 262 HA VAL 33 HA VAL 33 11.462 8.830 1.675 263 HB VAL 33 HB VAL 33 9.365 8.002 2.554 264 1HG1 VAL 33 1HG1 VAL 33 8.919 10.968 2.632 265 2HG1 VAL 33 2HG1 VAL 33 10.402 10.308 3.323 266 3HG1 VAL 33 3HG1 VAL 33 8.833 9.793 3.944 267 1HG2 VAL 33 1HG2 VAL 33 7.219 9.159 1.853 268 2HG2 VAL 33 2HG2 VAL 33 7.958 8.157 0.605 269 3HG2 VAL 33 3HG2 VAL 33 8.136 9.910 0.547 270 H SER 34 H SER 34 9.701 6.662 1.091 271 HA SER 34 HA SER 34 9.304 6.400 -1.783 272 1HB SER 34 2HB SER 34 11.881 6.330 -1.132 273 2HB SER 34 1HB SER 34 11.496 4.667 -0.695 274 HG SER 34 HG SER 34 11.569 4.252 -2.743 275 H PHE 35 H PHE 35 9.684 3.579 -1.915 276 HA PHE 35 HA PHE 35 7.272 2.624 -0.677 277 1HB PHE 35 2HB PHE 35 8.492 1.840 -2.786 278 2HB PHE 35 1HB PHE 35 9.605 0.995 -1.714 279 HD1 PHE 35 1HD PHE 35 6.672 0.962 0.083 280 HD2 PHE 35 2HD PHE 35 8.353 -0.764 -3.475 281 HE1 PHE 35 1HE PHE 35 5.076 -0.929 0.245 282 HE2 PHE 35 2HE PHE 35 6.756 -2.654 -3.311 283 HZ PHE 35 HZ PHE 35 5.118 -2.736 -1.452 284 H SER 36 H SER 36 10.557 1.301 -0.141 285 HA SER 36 HA SER 36 10.122 -0.086 2.222 286 1HB SER 36 2HB SER 36 12.324 1.106 0.769 287 2HB SER 36 1HB SER 36 12.610 1.224 2.504 288 HG SER 36 HG SER 36 12.538 -0.973 0.854 289 H SER 37 H SER 37 10.519 3.412 1.829 290 HA SER 37 HA SER 37 10.702 4.012 4.661 291 1HB SER 37 2HB SER 37 10.674 5.349 2.082 292 2HB SER 37 1HB SER 37 9.698 6.232 3.253 293 HG SER 37 HG SER 37 11.606 5.870 4.689 294 H ILE 38 H ILE 38 8.067 4.763 2.341 295 HA ILE 38 HA ILE 38 6.101 5.232 4.389 296 HB ILE 38 HB ILE 38 6.039 4.631 1.424 297 1HG1 ILE 38 2HG1 ILE 38 7.010 6.799 2.288 298 2HG1 ILE 38 1HG1 ILE 38 5.620 7.006 1.220 299 1HG2 ILE 38 1HG2 ILE 38 3.628 5.818 1.997 300 2HG2 ILE 38 2HG2 ILE 38 3.838 4.739 3.377 301 3HG2 ILE 38 3HG2 ILE 38 3.858 4.088 1.737 302 1HD1 ILE 38 1HD1 ILE 38 5.858 8.130 3.723 303 2HD1 ILE 38 2HD1 ILE 38 4.892 6.692 4.051 304 3HD1 ILE 38 3HD1 ILE 38 4.336 7.878 2.872 305 H SER 39 H SER 39 7.501 2.345 3.292 306 HA SER 39 HA SER 39 5.228 0.566 3.365 307 1HB SER 39 2HB SER 39 8.134 0.498 3.104 308 2HB SER 39 1HB SER 39 7.534 -0.862 4.050 309 HG SER 39 HG SER 39 6.477 -1.594 2.347 310 H THR 40 H THR 40 7.949 0.624 5.687 311 HA THR 40 HA THR 40 6.865 -0.780 7.794 312 HB THR 40 HB THR 40 8.313 1.846 8.181 313 HG1 THR 40 1HG THR 40 9.554 1.029 6.661 314 1HG2 THR 40 1HG2 THR 40 8.375 -0.858 9.541 315 2HG2 THR 40 2HG2 THR 40 7.823 0.670 10.226 316 3HG2 THR 40 3HG2 THR 40 9.533 0.429 9.876 317 H MET 41 H MET 41 6.011 2.499 6.808 318 HA MET 41 HA MET 41 4.674 3.517 9.032 319 1HB MET 41 2HB MET 41 4.953 4.090 6.346 320 2HB MET 41 1HB MET 41 3.221 3.786 6.487 321 1HG MET 41 2HG MET 41 4.335 5.430 8.663 322 2HG MET 41 1HG MET 41 4.428 6.180 7.070 323 1HE MET 41 1HE MET 41 0.941 6.175 5.708 324 2HE MET 41 2HE MET 41 1.545 4.523 5.825 325 3HE MET 41 3HE MET 41 2.648 5.829 5.399 326 H LEU 42 H LEU 42 2.968 1.762 6.409 327 HA LEU 42 HA LEU 42 0.532 1.351 7.752 328 1HB LEU 42 2HB LEU 42 2.037 0.225 5.485 329 2HB LEU 42 1HB LEU 42 0.864 -0.893 6.183 330 HG LEU 42 HG LEU 42 -0.577 1.439 6.118 331 1HD1 LEU 42 1HD1 LEU 42 0.913 2.779 4.886 332 2HD1 LEU 42 2HD1 LEU 42 -0.170 2.150 3.644 333 3HD1 LEU 42 3HD1 LEU 42 1.427 1.432 3.867 334 1HD2 LEU 42 1HD2 LEU 42 -1.315 0.366 3.771 335 2HD2 LEU 42 2HD2 LEU 42 -1.705 -0.404 5.308 336 3HD2 LEU 42 3HD2 LEU 42 -0.323 -0.965 4.366 337 H LEU 43 H LEU 43 3.228 -1.017 7.503 338 HA LEU 43 HA LEU 43 2.182 -2.986 9.220 339 1HB LEU 43 2HB LEU 43 4.192 -3.222 7.821 340 2HB LEU 43 1HB LEU 43 5.044 -2.055 8.836 341 HG LEU 43 HG LEU 43 4.117 -3.830 10.706 342 1HD1 LEU 43 1HD1 LEU 43 3.464 -5.705 9.612 343 2HD1 LEU 43 2HD1 LEU 43 5.182 -5.974 9.316 344 3HD1 LEU 43 3HD1 LEU 43 4.191 -5.173 8.096 345 1HD2 LEU 43 1HD2 LEU 43 6.558 -2.909 9.742 346 2HD2 LEU 43 2HD2 LEU 43 6.688 -4.659 9.569 347 3HD2 LEU 43 3HD2 LEU 43 6.338 -3.953 11.147 348 H GLU 44 H GLU 44 4.002 -0.033 10.044 349 HA GLU 44 HA GLU 44 4.331 -0.558 12.839 350 1HB GLU 44 2HB GLU 44 4.132 1.902 11.093 351 2HB GLU 44 1HB GLU 44 4.360 2.049 12.835 352 1HG GLU 44 2HG GLU 44 6.152 0.416 11.017 353 2HG GLU 44 1HG GLU 44 6.515 2.055 11.553 354 H LEU 45 H LEU 45 1.613 0.296 10.906 355 HA LEU 45 HA LEU 45 -0.020 1.107 13.260 356 1HB LEU 45 2HB LEU 45 -0.030 1.425 10.299 357 2HB LEU 45 1HB LEU 45 -1.606 1.366 11.087 358 HG LEU 45 HG LEU 45 -0.366 3.064 12.766 359 1HD1 LEU 45 1HD1 LEU 45 1.064 3.239 10.116 360 2HD1 LEU 45 2HD1 LEU 45 1.750 3.235 11.740 361 3HD1 LEU 45 3HD1 LEU 45 0.898 4.660 11.147 362 1HD2 LEU 45 1HD2 LEU 45 -1.199 4.848 10.896 363 2HD2 LEU 45 2HD2 LEU 45 -2.308 3.947 11.931 364 3HD2 LEU 45 3HD2 LEU 45 -1.978 3.384 10.293 365 H GLY 46 H GLY 46 0.787 -1.673 11.524 366 1HA GLY 46 2HA GLY 46 -0.100 -3.854 11.712 367 2HA GLY 46 1HA GLY 46 -1.361 -3.207 12.762 368 H LEU 47 H LEU 47 -1.178 -1.354 9.980 369 HA LEU 47 HA LEU 47 -2.379 -1.320 7.942 370 1HB LEU 47 2HB LEU 47 -3.352 -4.097 8.652 371 2HB LEU 47 1HB LEU 47 -3.188 -3.380 7.055 372 HG LEU 47 HG LEU 47 -0.689 -3.475 8.648 373 1HD1 LEU 47 1HD1 LEU 47 -2.047 -5.693 9.008 374 2HD1 LEU 47 2HD1 LEU 47 -0.343 -5.782 8.557 375 3HD1 LEU 47 3HD1 LEU 47 -1.594 -6.020 7.335 376 1HD2 LEU 47 1HD2 LEU 47 -1.532 -3.186 5.952 377 2HD2 LEU 47 2HD2 LEU 47 -0.615 -4.690 6.040 378 3HD2 LEU 47 3HD2 LEU 47 0.120 -3.176 6.568 379 H ARG 48 H ARG 48 -3.774 -1.986 11.029 380 HA ARG 48 HA ARG 48 -6.566 -1.770 10.250 381 1HB ARG 48 2HB ARG 48 -5.048 -1.475 12.862 382 2HB ARG 48 1HB ARG 48 -6.808 -1.494 12.752 383 1HG ARG 48 2HG ARG 48 -6.864 -3.732 12.027 384 2HG ARG 48 1HG ARG 48 -5.172 -3.710 11.531 385 1HD ARG 48 2HD ARG 48 -6.143 -3.532 14.408 386 2HD ARG 48 1HD ARG 48 -5.439 -4.972 13.646 387 HE ARG 48 HE ARG 48 -3.517 -3.149 13.109 388 1HH1 ARG 48 1HH2 ARG 48 -4.688 -1.453 15.333 389 2HH1 ARG 48 2HH2 ARG 48 -3.728 -1.951 16.686 390 1HH2 ARG 48 1HH1 ARG 48 -2.540 -4.811 15.126 391 2HH2 ARG 48 2HH1 ARG 48 -2.510 -3.853 16.568 392 H VAL 49 H VAL 49 -4.955 0.418 12.540 393 HA VAL 49 HA VAL 49 -6.526 2.671 12.188 394 HB VAL 49 HB VAL 49 -3.507 2.615 12.486 395 1HG1 VAL 49 1HG1 VAL 49 -3.653 4.773 13.195 396 2HG1 VAL 49 2HG1 VAL 49 -5.174 4.491 14.042 397 3HG1 VAL 49 3HG1 VAL 49 -5.174 4.777 12.302 398 1HG2 VAL 49 1HG2 VAL 49 -5.560 1.426 14.102 399 2HG2 VAL 49 2HG2 VAL 49 -4.858 2.779 14.988 400 3HG2 VAL 49 3HG2 VAL 49 -3.824 1.476 14.403 401 H TYR 50 H TYR 50 -3.818 1.616 10.142 402 HA TYR 50 HA TYR 50 -3.340 3.786 8.500 403 1HB TYR 50 2HB TYR 50 -2.164 1.765 8.122 404 2HB TYR 50 1HB TYR 50 -3.652 0.828 7.973 405 HD1 TYR 50 1HD TYR 50 -3.956 0.033 5.807 406 HD2 TYR 50 2HD TYR 50 -2.366 3.980 6.384 407 HE1 TYR 50 1HE TYR 50 -3.934 0.383 3.351 408 HE2 TYR 50 2HE TYR 50 -2.342 4.330 3.928 409 HH TYR 50 HH TYR 50 -3.337 1.737 1.695 410 H GLU 51 H GLU 51 -5.893 1.346 7.791 411 HA GLU 51 HA GLU 51 -7.122 2.779 5.697 412 1HB GLU 51 2HB GLU 51 -7.318 0.388 7.242 413 2HB GLU 51 1HB GLU 51 -8.909 1.112 7.159 414 1HG GLU 51 2HG GLU 51 -8.640 -0.333 5.246 415 2HG GLU 51 1HG GLU 51 -8.603 1.335 4.682 416 H ALA 52 H ALA 52 -7.523 2.908 9.208 417 HA ALA 52 HA ALA 52 -10.028 4.301 9.293 418 1HB ALA 52 1HB ALA 52 -7.982 4.872 11.357 419 2HB ALA 52 2HB ALA 52 -8.285 3.159 11.058 420 3HB ALA 52 3HB ALA 52 -9.609 4.218 11.543 421 H GLN 53 H GLN 53 -6.741 5.368 8.680 422 HA GLN 53 HA GLN 53 -6.837 8.097 9.318 423 1HB GLN 53 2HB GLN 53 -5.607 6.580 7.000 424 2HB GLN 53 1HB GLN 53 -5.232 8.268 7.350 425 1HG GLN 53 2HG GLN 53 -4.986 6.138 9.473 426 2HG GLN 53 1HG GLN 53 -3.665 6.472 8.352 427 1HE2 GLN 53 1HE2 GLN 53 -2.369 7.312 10.192 428 2HE2 GLN 53 2HE2 GLN 53 -2.689 8.854 10.827 429 H MET 54 H MET 54 -7.933 6.534 6.284 430 HA MET 54 HA MET 54 -9.327 7.369 4.564 431 1HB MET 54 2HB MET 54 -10.371 8.213 7.220 432 2HB MET 54 1HB MET 54 -11.096 8.989 5.812 433 1HG MET 54 2HG MET 54 -11.207 6.523 4.882 434 2HG MET 54 1HG MET 54 -11.110 6.093 6.590 435 1HE MET 54 1HE MET 54 -13.123 5.911 4.103 436 2HE MET 54 2HE MET 54 -13.471 7.599 3.739 437 3HE MET 54 3HE MET 54 -14.730 6.577 4.424 438 H GLU 55 H GLU 55 -6.848 8.929 5.291 439 HA GLU 55 HA GLU 55 -7.480 11.757 5.069 440 1HB GLU 55 2HB GLU 55 -5.044 11.945 4.884 441 2HB GLU 55 1HB GLU 55 -5.443 10.752 6.120 442 1HG GLU 55 2HG GLU 55 -4.941 8.929 4.674 443 2HG GLU 55 1HG GLU 55 -4.926 9.968 3.248 444 H ARG 56 H ARG 56 -6.683 13.072 3.169 445 HA ARG 56 HA ARG 56 -7.357 11.679 0.610 446 1HB ARG 56 2HB ARG 56 -8.782 13.534 1.086 447 2HB ARG 56 1HB ARG 56 -7.424 14.539 1.595 448 1HG ARG 56 2HG ARG 56 -7.315 13.469 -1.179 449 2HG ARG 56 1HG ARG 56 -8.514 14.723 -0.862 450 1HD ARG 56 2HD ARG 56 -6.366 15.808 0.404 451 2HD ARG 56 1HD ARG 56 -5.555 14.924 -0.903 452 HE ARG 56 HE ARG 56 -7.758 16.901 -1.363 453 1HH1 ARG 56 1HH2 ARG 56 -6.947 14.792 -3.468 454 2HH1 ARG 56 2HH2 ARG 56 -5.909 15.741 -4.479 455 1HH2 ARG 56 1HH1 ARG 56 -5.553 18.297 -2.163 456 2HH2 ARG 56 2HH1 ARG 56 -5.119 17.728 -3.740 Start of MODEL 18 1 1H ALA 2 1H ALA 2 -12.884 -18.328 -6.343 2 2H ALA 2 2H ALA 2 -12.903 -18.230 -4.647 3 3H ALA 2 3H ALA 2 -11.466 -18.627 -5.461 4 HA ALA 2 HA ALA 2 -11.429 -16.408 -6.484 5 1HB ALA 2 1HB ALA 2 -14.085 -16.535 -5.999 6 2HB ALA 2 2HB ALA 2 -13.242 -15.005 -6.240 7 3HB ALA 2 3HB ALA 2 -13.588 -15.573 -4.607 8 H LYS 3 H LYS 3 -10.047 -14.954 -5.415 9 HA LYS 3 HA LYS 3 -8.721 -14.086 -3.657 10 1HB LYS 3 2HB LYS 3 -11.389 -14.426 -2.736 11 2HB LYS 3 1HB LYS 3 -10.329 -14.974 -1.437 12 1HG LYS 3 2HG LYS 3 -9.099 -12.869 -1.494 13 2HG LYS 3 1HG LYS 3 -10.043 -12.322 -2.880 14 1HD LYS 3 2HD LYS 3 -12.091 -12.357 -1.539 15 2HD LYS 3 1HD LYS 3 -11.198 -12.989 -0.156 16 1HE LYS 3 2HE LYS 3 -10.495 -10.355 -1.487 17 2HE LYS 3 1HE LYS 3 -11.589 -10.475 -0.096 18 1HZ LYS 3 1HZ LYS 3 -8.721 -11.006 -0.249 19 2HZ LYS 3 2HZ LYS 3 -9.641 -12.028 0.750 20 3HZ LYS 3 3HZ LYS 3 -9.632 -10.350 1.022 21 H VAL 4 H VAL 4 -6.861 -15.193 -3.205 22 HA VAL 4 HA VAL 4 -7.069 -17.993 -2.170 23 HB VAL 4 HB VAL 4 -4.829 -18.232 -3.101 24 1HG1 VAL 4 1HG1 VAL 4 -5.501 -17.020 -5.476 25 2HG1 VAL 4 2HG1 VAL 4 -7.072 -17.170 -4.687 26 3HG1 VAL 4 3HG1 VAL 4 -6.081 -18.604 -4.959 27 1HG2 VAL 4 1HG2 VAL 4 -4.153 -15.871 -2.423 28 2HG2 VAL 4 2HG2 VAL 4 -4.981 -15.308 -3.876 29 3HG2 VAL 4 3HG2 VAL 4 -3.591 -16.387 -4.013 30 H GLN 5 H GLN 5 -6.716 -14.924 -0.994 31 HA GLN 5 HA GLN 5 -5.823 -14.051 1.012 32 1HB GLN 5 2HB GLN 5 -5.670 -17.007 1.683 33 2HB GLN 5 1HB GLN 5 -5.804 -15.671 2.829 34 1HG GLN 5 2HG GLN 5 -7.962 -15.131 1.328 35 2HG GLN 5 1HG GLN 5 -7.887 -16.873 1.069 36 1HE2 GLN 5 1HE2 GLN 5 -7.093 -17.902 3.484 37 2HE2 GLN 5 2HE2 GLN 5 -8.174 -17.469 4.717 38 H ALA 6 H ALA 6 -3.779 -14.029 2.348 39 HA ALA 6 HA ALA 6 -1.483 -15.617 1.649 40 1HB ALA 6 1HB ALA 6 -0.843 -13.015 0.577 41 2HB ALA 6 2HB ALA 6 -2.286 -13.646 -0.218 42 3HB ALA 6 3HB ALA 6 -0.791 -14.582 -0.232 43 H TYR 7 H TYR 7 -2.342 -14.911 4.112 44 HA TYR 7 HA TYR 7 -1.699 -13.852 6.124 45 1HB TYR 7 2HB TYR 7 0.763 -13.741 4.368 46 2HB TYR 7 1HB TYR 7 0.788 -13.268 6.065 47 HD1 TYR 7 1HD TYR 7 0.784 -14.893 7.812 48 HD2 TYR 7 2HD TYR 7 0.082 -16.088 3.746 49 HE1 TYR 7 1HE TYR 7 0.988 -17.274 8.475 50 HE2 TYR 7 2HE TYR 7 0.285 -18.469 4.410 51 HH TYR 7 HH TYR 7 1.493 -19.734 6.363 52 H VAL 8 H VAL 8 -2.889 -11.952 6.332 53 HA VAL 8 HA VAL 8 -3.268 -9.621 6.365 54 HB VAL 8 HB VAL 8 -0.453 -9.433 5.268 55 1HG1 VAL 8 1HG1 VAL 8 -2.404 -7.609 6.419 56 2HG1 VAL 8 2HG1 VAL 8 -0.875 -7.245 5.619 57 3HG1 VAL 8 3HG1 VAL 8 -0.904 -7.608 7.344 58 1HG2 VAL 8 1HG2 VAL 8 -1.320 -9.904 8.139 59 2HG2 VAL 8 2HG2 VAL 8 0.333 -9.617 7.596 60 3HG2 VAL 8 3HG2 VAL 8 -0.512 -11.089 7.114 61 H SER 9 H SER 9 -1.042 -9.920 3.571 62 HA SER 9 HA SER 9 -3.142 -9.719 1.584 63 1HB SER 9 2HB SER 9 -2.067 -7.316 2.887 64 2HB SER 9 1HB SER 9 -1.969 -7.251 1.130 65 HG SER 9 HG SER 9 -4.242 -7.977 1.215 66 H ASP 10 H ASP 10 -2.240 -10.492 -0.291 67 HA ASP 10 HA ASP 10 0.590 -11.044 -0.465 68 1HB ASP 10 2HB ASP 10 -1.394 -12.348 -1.405 69 2HB ASP 10 1HB ASP 10 -1.491 -11.111 -2.660 70 H GLU 11 H GLU 11 -1.428 -9.243 -2.806 71 HA GLU 11 HA GLU 11 0.821 -7.812 -3.915 72 1HB GLU 11 2HB GLU 11 -2.179 -7.753 -4.096 73 2HB GLU 11 1HB GLU 11 -1.250 -6.452 -4.841 74 1HG GLU 11 2HG GLU 11 -0.291 -7.846 -6.413 75 2HG GLU 11 1HG GLU 11 -0.376 -9.262 -5.364 76 H ILE 12 H ILE 12 1.708 -6.905 -1.848 77 HA ILE 12 HA ILE 12 0.133 -4.801 -0.502 78 HB ILE 12 HB ILE 12 2.897 -5.998 -0.209 79 1HG1 ILE 12 2HG1 ILE 12 0.801 -7.234 0.548 80 2HG1 ILE 12 1HG1 ILE 12 2.001 -6.945 1.809 81 1HG2 ILE 12 1HG2 ILE 12 3.062 -4.608 1.871 82 2HG2 ILE 12 2HG2 ILE 12 1.621 -3.733 1.354 83 3HG2 ILE 12 3HG2 ILE 12 3.097 -3.650 0.392 84 1HD1 ILE 12 1HD1 ILE 12 -0.495 -5.302 1.296 85 2HD1 ILE 12 2HD1 ILE 12 0.738 -4.905 2.493 86 3HD1 ILE 12 3HD1 ILE 12 -0.214 -6.379 2.664 87 H VAL 13 H VAL 13 2.637 -5.066 -2.946 88 HA VAL 13 HA VAL 13 3.584 -2.334 -2.803 89 HB VAL 13 HB VAL 13 4.565 -2.956 -5.015 90 1HG1 VAL 13 1HG1 VAL 13 4.852 -4.417 -2.502 91 2HG1 VAL 13 2HG1 VAL 13 6.098 -3.829 -3.604 92 3HG1 VAL 13 3HG1 VAL 13 5.330 -5.390 -3.894 93 1HG2 VAL 13 1HG2 VAL 13 2.421 -4.958 -4.824 94 2HG2 VAL 13 2HG2 VAL 13 3.981 -5.646 -5.274 95 3HG2 VAL 13 3HG2 VAL 13 3.272 -4.358 -6.248 96 H TYR 14 H TYR 14 0.901 -3.925 -4.446 97 HA TYR 14 HA TYR 14 0.352 -1.796 -6.332 98 1HB TYR 14 2HB TYR 14 -0.349 -4.298 -6.278 99 2HB TYR 14 1HB TYR 14 -1.646 -3.761 -5.207 100 HD1 TYR 14 1HD TYR 14 -3.657 -3.633 -6.382 101 HD2 TYR 14 2HD TYR 14 -0.044 -2.255 -8.251 102 HE1 TYR 14 1HE TYR 14 -4.965 -2.868 -8.344 103 HE2 TYR 14 2HE TYR 14 -1.351 -1.489 -10.214 104 HH TYR 14 HH TYR 14 -3.573 -0.890 -10.820 105 H LYS 15 H LYS 15 -1.237 -2.750 -3.259 106 HA LYS 15 HA LYS 15 -3.034 -0.523 -3.156 107 1HB LYS 15 2HB LYS 15 -2.408 -2.852 -1.706 108 2HB LYS 15 1HB LYS 15 -2.197 -1.526 -0.561 109 1HG LYS 15 2HG LYS 15 -4.446 -1.640 -0.296 110 2HG LYS 15 1HG LYS 15 -4.528 -0.819 -1.854 111 1HD LYS 15 2HD LYS 15 -5.364 -2.653 -2.870 112 2HD LYS 15 1HD LYS 15 -4.113 -3.684 -2.175 113 1HE LYS 15 2HE LYS 15 -5.381 -3.855 -0.073 114 2HE LYS 15 1HE LYS 15 -6.624 -2.768 -0.724 115 1HZ LYS 15 1HZ LYS 15 -7.507 -4.734 -1.398 116 2HZ LYS 15 2HZ LYS 15 -6.007 -5.530 -1.454 117 3HZ LYS 15 3HZ LYS 15 -6.465 -4.485 -2.713 118 H ILE 16 H ILE 16 0.067 -1.055 -1.419 119 HA ILE 16 HA ILE 16 0.192 1.500 -0.167 120 HB ILE 16 HB ILE 16 2.397 -0.338 -1.156 121 1HG1 ILE 16 2HG1 ILE 16 0.695 -1.434 0.302 122 2HG1 ILE 16 1HG1 ILE 16 2.275 -1.332 1.079 123 1HG2 ILE 16 1HG2 ILE 16 2.323 2.011 0.722 124 2HG2 ILE 16 2HG2 ILE 16 3.497 1.637 -0.539 125 3HG2 ILE 16 3HG2 ILE 16 3.502 0.724 0.968 126 1HD1 ILE 16 1HD1 ILE 16 -0.176 0.353 1.599 127 2HD1 ILE 16 2HD1 ILE 16 1.432 0.879 2.101 128 3HD1 ILE 16 3HD1 ILE 16 0.749 -0.615 2.746 129 H ASN 17 H ASN 17 1.301 0.405 -3.362 130 HA ASN 17 HA ASN 17 2.876 2.511 -4.241 131 1HB ASN 17 2HB ASN 17 1.075 0.504 -5.372 132 2HB ASN 17 1HB ASN 17 1.193 1.940 -6.387 133 1HD2 ASN 17 1HD2 ASN 17 2.354 -0.721 -6.992 134 2HD2 ASN 17 2HD2 ASN 17 4.031 -0.492 -7.113 135 H LYS 18 H LYS 18 -0.552 2.612 -3.521 136 HA LYS 18 HA LYS 18 -1.113 5.036 -5.029 137 1HB LYS 18 2HB LYS 18 -2.477 3.552 -2.762 138 2HB LYS 18 1HB LYS 18 -3.185 4.963 -3.549 139 1HG LYS 18 2HG LYS 18 -3.833 3.751 -5.336 140 2HG LYS 18 1HG LYS 18 -2.238 3.015 -5.496 141 1HD LYS 18 2HD LYS 18 -2.867 1.137 -4.391 142 2HD LYS 18 1HD LYS 18 -3.753 2.048 -3.168 143 1HE LYS 18 2HE LYS 18 -5.501 0.936 -4.274 144 2HE LYS 18 1HE LYS 18 -5.450 2.465 -5.172 145 1HZ LYS 18 1HZ LYS 18 -4.251 -0.137 -5.910 146 2HZ LYS 18 2HZ LYS 18 -3.693 1.316 -6.588 147 3HZ LYS 18 3HZ LYS 18 -5.305 0.832 -6.819 148 H ILE 19 H ILE 19 -1.047 4.512 -1.475 149 HA ILE 19 HA ILE 19 -1.005 7.183 -0.659 150 HB ILE 19 HB ILE 19 0.234 4.636 0.387 151 1HG1 ILE 19 2HG1 ILE 19 -1.547 5.310 2.214 152 2HG1 ILE 19 1HG1 ILE 19 -2.195 6.320 0.921 153 1HG2 ILE 19 1HG2 ILE 19 1.691 6.369 1.236 154 2HG2 ILE 19 2HG2 ILE 19 0.600 5.901 2.540 155 3HG2 ILE 19 3HG2 ILE 19 0.317 7.394 1.645 156 1HD1 ILE 19 1HD1 ILE 19 -2.784 4.506 -0.390 157 2HD1 ILE 19 2HD1 ILE 19 -2.988 3.798 1.212 158 3HD1 ILE 19 3HD1 ILE 19 -1.522 3.476 0.286 159 H VAL 20 H VAL 20 1.871 5.136 -1.317 160 HA VAL 20 HA VAL 20 3.877 7.071 -0.933 161 HB VAL 20 HB VAL 20 5.017 5.651 -2.833 162 1HG1 VAL 20 1HG1 VAL 20 4.111 4.869 -0.109 163 2HG1 VAL 20 2HG1 VAL 20 5.746 5.098 -0.732 164 3HG1 VAL 20 3HG1 VAL 20 4.855 3.624 -1.115 165 1HG2 VAL 20 1HG2 VAL 20 3.742 4.140 -3.898 166 2HG2 VAL 20 2HG2 VAL 20 2.325 4.749 -3.049 167 3HG2 VAL 20 3HG2 VAL 20 3.265 3.429 -2.357 168 H GLU 21 H GLU 21 2.688 6.150 -4.178 169 HA GLU 21 HA GLU 21 3.769 8.276 -5.634 170 1HB GLU 21 2HB GLU 21 2.392 6.146 -6.279 171 2HB GLU 21 1HB GLU 21 0.999 7.223 -6.164 172 1HG GLU 21 2HG GLU 21 1.584 7.474 -8.407 173 2HG GLU 21 1HG GLU 21 2.467 8.810 -7.668 174 H ARG 22 H ARG 22 0.616 8.189 -3.944 175 HA ARG 22 HA ARG 22 -0.487 10.629 -4.707 176 1HB ARG 22 2HB ARG 22 -1.512 8.965 -3.198 177 2HB ARG 22 1HB ARG 22 -0.350 9.387 -1.939 178 1HG ARG 22 2HG ARG 22 -2.431 10.570 -1.506 179 2HG ARG 22 1HG ARG 22 -1.207 11.739 -2.004 180 1HD ARG 22 2HD ARG 22 -2.575 10.684 -4.334 181 2HD ARG 22 1HD ARG 22 -3.739 11.372 -3.184 182 HE ARG 22 HE ARG 22 -1.342 13.012 -3.569 183 1HH1 ARG 22 1HH2 ARG 22 -3.058 12.435 -6.143 184 2HH1 ARG 22 2HH2 ARG 22 -3.994 13.891 -6.190 185 1HH2 ARG 22 1HH1 ARG 22 -3.190 14.826 -2.949 186 2HH2 ARG 22 2HH1 ARG 22 -4.069 15.244 -4.382 187 H ARG 23 H ARG 23 1.806 10.147 -1.984 188 HA ARG 23 HA ARG 23 2.090 12.780 -1.113 189 1HB ARG 23 2HB ARG 23 4.293 10.735 -1.538 190 2HB ARG 23 1HB ARG 23 4.308 12.049 -0.364 191 1HG ARG 23 2HG ARG 23 2.580 9.574 -0.381 192 2HG ARG 23 1HG ARG 23 3.652 10.151 0.893 193 1HD ARG 23 2HD ARG 23 1.027 11.412 0.024 194 2HD ARG 23 1HD ARG 23 1.387 10.659 1.589 195 HE ARG 23 HE ARG 23 3.361 12.615 1.240 196 1HH1 ARG 23 1HH2 ARG 23 0.638 13.657 -0.056 197 2HH1 ARG 23 2HH2 ARG 23 0.130 14.713 1.218 198 1HH2 ARG 23 1HH1 ARG 23 2.403 13.466 3.519 199 2HH2 ARG 23 2HH1 ARG 23 1.128 14.604 3.242 200 H ARG 24 H ARG 24 4.078 11.232 -3.678 201 HA ARG 24 HA ARG 24 5.297 13.750 -4.468 202 1HB ARG 24 2HB ARG 24 5.157 10.918 -5.485 203 2HB ARG 24 1HB ARG 24 5.874 12.172 -6.498 204 1HG ARG 24 2HG ARG 24 7.790 11.896 -5.346 205 2HG ARG 24 1HG ARG 24 6.968 12.588 -3.946 206 1HD ARG 24 2HD ARG 24 7.799 10.453 -3.218 207 2HD ARG 24 1HD ARG 24 6.066 10.205 -3.514 208 HE ARG 24 HE ARG 24 6.717 9.346 -5.795 209 1HH1 ARG 24 1HH1 ARG 24 9.630 10.277 -5.436 210 2HH1 ARG 24 2HH1 ARG 24 10.417 8.760 -5.155 211 1HH2 ARG 24 1HH2 ARG 24 7.472 7.052 -4.495 212 2HH2 ARG 24 2HH2 ARG 24 9.195 6.933 -4.625 213 H ALA 25 H ALA 25 2.607 11.761 -5.687 214 HA ALA 25 HA ALA 25 2.004 12.991 -8.108 215 1HB ALA 25 1HB ALA 25 0.637 11.533 -5.986 216 2HB ALA 25 2HB ALA 25 0.369 11.464 -7.730 217 3HB ALA 25 3HB ALA 25 -0.445 12.693 -6.761 218 H GLU 26 H GLU 26 1.361 14.201 -4.824 219 HA GLU 26 HA GLU 26 -0.023 16.580 -5.778 220 1HB GLU 26 2HB GLU 26 -0.262 17.037 -3.450 221 2HB GLU 26 1HB GLU 26 -0.325 15.279 -3.580 222 1HG GLU 26 2HG GLU 26 1.391 15.166 -2.129 223 2HG GLU 26 1HG GLU 26 2.409 15.941 -3.340 224 H GLY 27 H GLY 27 3.282 15.668 -5.166 225 1HA GLY 27 2HA GLY 27 4.965 17.200 -6.236 226 2HA GLY 27 1HA GLY 27 4.080 18.536 -5.497 227 H ALA 28 H ALA 28 4.789 15.459 -3.902 228 HA ALA 28 HA ALA 28 5.812 16.738 -1.538 229 1HB ALA 28 1HB ALA 28 5.934 13.924 -2.662 230 2HB ALA 28 2HB ALA 28 4.802 14.549 -1.463 231 3HB ALA 28 3HB ALA 28 6.501 14.335 -1.043 232 H LYS 29 H LYS 29 8.141 15.748 -0.771 233 HA LYS 29 HA LYS 29 10.162 15.761 -2.909 234 1HB LYS 29 2HB LYS 29 11.245 17.825 -1.928 235 2HB LYS 29 1HB LYS 29 9.687 18.130 -2.699 236 1HG LYS 29 2HG LYS 29 8.565 18.076 -0.524 237 2HG LYS 29 1HG LYS 29 10.090 17.687 0.275 238 1HD LYS 29 2HD LYS 29 11.043 19.831 -0.516 239 2HD LYS 29 1HD LYS 29 9.503 20.226 -1.279 240 1HE LYS 29 2HE LYS 29 8.705 21.016 0.686 241 2HE LYS 29 1HE LYS 29 9.049 19.464 1.476 242 1HZ LYS 29 1HZ LYS 29 11.428 20.159 1.519 243 2HZ LYS 29 2HZ LYS 29 10.415 21.100 2.509 244 3HZ LYS 29 3HZ LYS 29 10.944 21.703 1.010 245 H SER 30 H SER 30 12.380 16.404 -1.310 246 HA SER 30 HA SER 30 13.809 15.475 0.329 247 1HB SER 30 2HB SER 30 11.111 15.682 1.437 248 2HB SER 30 1HB SER 30 12.034 14.384 2.189 249 HG SER 30 HG SER 30 12.405 17.126 2.251 250 H THR 31 H THR 31 14.752 13.425 0.715 251 HA THR 31 HA THR 31 13.642 11.194 -0.850 252 HB THR 31 HB THR 31 16.066 11.910 -0.747 253 HG1 THR 31 1HG THR 31 16.128 9.930 -1.426 254 1HG2 THR 31 1HG2 THR 31 17.005 12.213 1.270 255 2HG2 THR 31 2HG2 THR 31 16.817 10.490 1.596 256 3HG2 THR 31 3HG2 THR 31 15.543 11.620 2.058 257 H ASP 32 H ASP 32 12.662 12.283 1.991 258 HA ASP 32 HA ASP 32 12.960 10.010 3.771 259 1HB ASP 32 2HB ASP 32 11.883 12.672 3.740 260 2HB ASP 32 1HB ASP 32 10.654 11.577 4.374 261 H VAL 33 H VAL 33 10.800 10.806 1.154 262 HA VAL 33 HA VAL 33 8.757 8.838 1.981 263 HB VAL 33 HB VAL 33 9.154 10.787 -0.295 264 1HG1 VAL 33 1HG1 VAL 33 7.979 9.250 -1.528 265 2HG1 VAL 33 2HG1 VAL 33 6.613 9.957 -0.664 266 3HG1 VAL 33 3HG1 VAL 33 7.327 8.447 -0.099 267 1HG2 VAL 33 1HG2 VAL 33 6.729 11.283 0.844 268 2HG2 VAL 33 2HG2 VAL 33 8.228 12.047 1.372 269 3HG2 VAL 33 3HG2 VAL 33 7.609 10.635 2.229 270 H SER 34 H SER 34 8.530 6.806 1.041 271 HA SER 34 HA SER 34 9.716 6.006 -1.459 272 1HB SER 34 2HB SER 34 11.737 5.102 -0.777 273 2HB SER 34 1HB SER 34 11.602 6.399 0.408 274 HG SER 34 HG SER 34 11.450 3.678 0.723 275 H PHE 35 H PHE 35 8.970 3.922 -2.024 276 HA PHE 35 HA PHE 35 6.684 2.818 -0.938 277 1HB PHE 35 2HB PHE 35 7.628 2.072 -3.030 278 2HB PHE 35 1HB PHE 35 9.090 1.499 -2.229 279 HD1 PHE 35 1HD PHE 35 9.241 -0.794 -1.885 280 HD2 PHE 35 2HD PHE 35 5.372 1.072 -1.876 281 HE1 PHE 35 1HE PHE 35 8.176 -3.004 -1.515 282 HE2 PHE 35 2HE PHE 35 4.308 -1.136 -1.507 283 HZ PHE 35 HZ PHE 35 5.708 -3.174 -1.326 284 H SER 36 H SER 36 10.024 2.232 0.129 285 HA SER 36 HA SER 36 9.301 0.198 2.083 286 1HB SER 36 2HB SER 36 11.515 -0.014 1.546 287 2HB SER 36 1HB SER 36 11.669 1.688 1.123 288 HG SER 36 HG SER 36 12.806 1.487 2.970 289 H SER 37 H SER 37 10.113 3.673 2.242 290 HA SER 37 HA SER 37 9.932 3.963 5.079 291 1HB SER 37 2HB SER 37 10.883 5.534 3.311 292 2HB SER 37 1HB SER 37 9.224 6.000 2.948 293 HG SER 37 HG SER 37 10.197 7.382 4.495 294 H ILE 38 H ILE 38 7.490 4.704 2.553 295 HA ILE 38 HA ILE 38 5.355 5.425 4.252 296 HB ILE 38 HB ILE 38 5.581 4.107 1.542 297 1HG1 ILE 38 2HG1 ILE 38 6.258 6.523 1.957 298 2HG1 ILE 38 1HG1 ILE 38 5.017 6.299 0.726 299 1HG2 ILE 38 1HG2 ILE 38 3.429 3.442 1.763 300 2HG2 ILE 38 2HG2 ILE 38 3.025 5.155 1.668 301 3HG2 ILE 38 3HG2 ILE 38 3.206 4.380 3.240 302 1HD1 ILE 38 1HD1 ILE 38 3.816 6.536 3.350 303 2HD1 ILE 38 2HD1 ILE 38 3.532 7.507 1.907 304 3HD1 ILE 38 3HD1 ILE 38 4.844 7.928 3.007 305 H SER 39 H SER 39 6.430 2.194 3.215 306 HA SER 39 HA SER 39 4.215 0.736 4.325 307 1HB SER 39 2HB SER 39 7.114 -0.068 3.911 308 2HB SER 39 1HB SER 39 5.746 -1.169 4.052 309 HG SER 39 HG SER 39 6.516 0.505 1.957 310 H THR 40 H THR 40 7.256 1.939 5.661 311 HA THR 40 HA THR 40 7.459 0.541 8.077 312 HB THR 40 HB THR 40 7.857 3.525 7.764 313 HG1 THR 40 1HG THR 40 9.078 1.369 6.505 314 1HG2 THR 40 1HG2 THR 40 10.057 2.337 8.982 315 2HG2 THR 40 2HG2 THR 40 8.682 1.455 9.645 316 3HG2 THR 40 3HG2 THR 40 8.763 3.210 9.805 317 H MET 41 H MET 41 6.018 3.824 7.943 318 HA MET 41 HA MET 41 4.745 3.760 10.444 319 1HB MET 41 2HB MET 41 3.283 5.516 9.423 320 2HB MET 41 1HB MET 41 4.990 5.751 9.041 321 1HG MET 41 2HG MET 41 4.177 5.932 6.907 322 2HG MET 41 1HG MET 41 4.282 4.173 6.969 323 1HE MET 41 1HE MET 41 2.294 4.163 4.918 324 2HE MET 41 2HE MET 41 2.694 5.871 5.077 325 3HE MET 41 3HE MET 41 1.005 5.369 5.047 326 H LEU 42 H LEU 42 3.611 2.459 7.347 327 HA LEU 42 HA LEU 42 0.918 1.878 8.184 328 1HB LEU 42 2HB LEU 42 2.354 1.873 5.865 329 2HB LEU 42 1HB LEU 42 2.241 0.144 6.183 330 HG LEU 42 HG LEU 42 -0.242 1.773 6.491 331 1HD1 LEU 42 1HD1 LEU 42 0.156 2.642 4.394 332 2HD1 LEU 42 2HD1 LEU 42 -0.492 1.075 3.908 333 3HD1 LEU 42 3HD1 LEU 42 1.251 1.333 3.947 334 1HD2 LEU 42 1HD2 LEU 42 -1.248 -0.271 6.282 335 2HD2 LEU 42 2HD2 LEU 42 0.354 -0.878 6.700 336 3HD2 LEU 42 3HD2 LEU 42 -0.142 -0.793 5.012 337 H LEU 43 H LEU 43 3.607 -0.444 7.619 338 HA LEU 43 HA LEU 43 2.243 -2.539 9.071 339 1HB LEU 43 2HB LEU 43 4.108 -2.544 7.210 340 2HB LEU 43 1HB LEU 43 5.202 -2.500 8.596 341 HG LEU 43 HG LEU 43 3.257 -4.384 9.295 342 1HD1 LEU 43 1HD1 LEU 43 2.496 -5.371 7.417 343 2HD1 LEU 43 2HD1 LEU 43 4.150 -5.650 6.871 344 3HD1 LEU 43 3HD1 LEU 43 3.325 -4.147 6.457 345 1HD2 LEU 43 1HD2 LEU 43 6.049 -4.714 8.143 346 2HD2 LEU 43 2HD2 LEU 43 5.159 -5.991 8.972 347 3HD2 LEU 43 3HD2 LEU 43 5.628 -4.534 9.847 348 H GLU 44 H GLU 44 3.641 0.229 10.281 349 HA GLU 44 HA GLU 44 5.084 -0.913 12.547 350 1HB GLU 44 2HB GLU 44 4.275 1.728 11.453 351 2HB GLU 44 1HB GLU 44 4.470 1.667 13.205 352 1HG GLU 44 2HG GLU 44 6.722 0.642 12.874 353 2HG GLU 44 1HG GLU 44 6.533 0.860 11.137 354 H LEU 45 H LEU 45 1.870 0.386 11.865 355 HA LEU 45 HA LEU 45 1.007 -0.323 14.623 356 1HB LEU 45 2HB LEU 45 -0.395 1.466 14.420 357 2HB LEU 45 1HB LEU 45 0.715 1.923 13.142 358 HG LEU 45 HG LEU 45 -1.508 2.172 12.295 359 1HD1 LEU 45 1HD1 LEU 45 -0.419 1.426 10.457 360 2HD1 LEU 45 2HD1 LEU 45 -1.460 0.023 10.659 361 3HD1 LEU 45 3HD1 LEU 45 0.187 -0.008 11.271 362 1HD2 LEU 45 1HD2 LEU 45 -3.251 0.813 12.782 363 2HD2 LEU 45 2HD2 LEU 45 -2.202 0.178 14.048 364 3HD2 LEU 45 3HD2 LEU 45 -2.314 -0.651 12.497 365 H GLY 46 H GLY 46 1.088 -1.706 11.549 366 1HA GLY 46 2HA GLY 46 0.228 -3.939 11.181 367 2HA GLY 46 1HA GLY 46 -1.051 -3.612 12.348 368 H LEU 47 H LEU 47 -0.167 -1.378 9.753 369 HA LEU 47 HA LEU 47 -1.602 -0.423 8.112 370 1HB LEU 47 2HB LEU 47 -0.688 -2.394 7.031 371 2HB LEU 47 1HB LEU 47 -1.881 -3.427 7.816 372 HG LEU 47 HG LEU 47 -3.112 -1.218 6.349 373 1HD1 LEU 47 1HD1 LEU 47 -0.939 -2.681 5.085 374 2HD1 LEU 47 2HD1 LEU 47 -1.868 -1.314 4.469 375 3HD1 LEU 47 3HD1 LEU 47 -2.468 -2.960 4.250 376 1HD2 LEU 47 1HD2 LEU 47 -4.746 -2.775 6.184 377 2HD2 LEU 47 2HD2 LEU 47 -3.746 -3.785 7.228 378 3HD2 LEU 47 3HD2 LEU 47 -3.644 -3.957 5.476 379 H ARG 48 H ARG 48 -2.908 -1.075 10.830 380 HA ARG 48 HA ARG 48 -5.611 -1.960 10.226 381 1HB ARG 48 2HB ARG 48 -3.982 -1.612 12.453 382 2HB ARG 48 1HB ARG 48 -5.214 -0.368 12.652 383 1HG ARG 48 2HG ARG 48 -6.961 -1.919 12.728 384 2HG ARG 48 1HG ARG 48 -6.030 -3.156 11.883 385 1HD ARG 48 2HD ARG 48 -6.271 -3.677 14.316 386 2HD ARG 48 1HD ARG 48 -4.571 -3.416 13.873 387 HE ARG 48 HE ARG 48 -5.723 -0.900 14.570 388 1HH1 ARG 48 1HH2 ARG 48 -6.771 -2.849 16.705 389 2HH1 ARG 48 2HH2 ARG 48 -5.560 -2.665 17.929 390 1HH2 ARG 48 1HH1 ARG 48 -3.288 -1.109 15.820 391 2HH2 ARG 48 2HH1 ARG 48 -3.587 -1.679 17.429 392 H VAL 49 H VAL 49 -4.747 1.166 11.721 393 HA VAL 49 HA VAL 49 -7.051 2.564 10.917 394 HB VAL 49 HB VAL 49 -5.247 3.212 12.570 395 1HG1 VAL 49 1HG1 VAL 49 -3.370 2.752 10.939 396 2HG1 VAL 49 2HG1 VAL 49 -3.254 4.308 11.760 397 3HG1 VAL 49 3HG1 VAL 49 -3.827 4.232 10.095 398 1HG2 VAL 49 1HG2 VAL 49 -5.926 5.394 12.458 399 2HG2 VAL 49 2HG2 VAL 49 -7.000 4.772 11.204 400 3HG2 VAL 49 3HG2 VAL 49 -5.481 5.550 10.758 401 H TYR 50 H TYR 50 -3.967 2.142 9.192 402 HA TYR 50 HA TYR 50 -4.222 3.927 7.071 403 1HB TYR 50 2HB TYR 50 -2.279 2.568 7.280 404 2HB TYR 50 1HB TYR 50 -3.226 1.079 7.279 405 HD1 TYR 50 1HD TYR 50 -1.619 3.625 5.235 406 HD2 TYR 50 2HD TYR 50 -4.358 0.318 5.175 407 HE1 TYR 50 1HE TYR 50 -1.383 3.475 2.771 408 HE2 TYR 50 2HE TYR 50 -4.123 0.167 2.711 409 HH TYR 50 HH TYR 50 -1.680 1.561 1.013 410 H GLU 51 H GLU 51 -5.491 0.559 7.082 411 HA GLU 51 HA GLU 51 -6.894 0.730 4.627 412 1HB GLU 51 2HB GLU 51 -6.265 -1.141 6.487 413 2HB GLU 51 1HB GLU 51 -7.971 -0.909 6.851 414 1HG GLU 51 2HG GLU 51 -7.529 -1.041 3.988 415 2HG GLU 51 1HG GLU 51 -6.900 -2.476 4.793 416 H ALA 52 H ALA 52 -7.794 1.661 7.919 417 HA ALA 52 HA ALA 52 -10.605 2.141 7.257 418 1HB ALA 52 1HB ALA 52 -10.743 2.180 9.521 419 2HB ALA 52 2HB ALA 52 -9.514 3.440 9.640 420 3HB ALA 52 3HB ALA 52 -9.034 1.747 9.528 421 H GLN 53 H GLN 53 -7.995 4.346 8.363 422 HA GLN 53 HA GLN 53 -9.382 6.732 7.571 423 1HB GLN 53 2HB GLN 53 -6.598 5.950 8.391 424 2HB GLN 53 1HB GLN 53 -6.907 7.592 7.824 425 1HG GLN 53 2HG GLN 53 -9.002 6.998 9.617 426 2HG GLN 53 1HG GLN 53 -7.528 6.416 10.391 427 1HE2 GLN 53 1HE2 GLN 53 -8.737 9.327 8.627 428 2HE2 GLN 53 2HE2 GLN 53 -7.842 10.435 9.550 429 H MET 54 H MET 54 -7.244 4.527 5.868 430 HA MET 54 HA MET 54 -6.412 4.573 3.654 431 1HB MET 54 2HB MET 54 -9.081 5.987 3.590 432 2HB MET 54 1HB MET 54 -8.174 5.670 2.113 433 1HG MET 54 2HG MET 54 -8.035 3.220 3.173 434 2HG MET 54 1HG MET 54 -9.521 3.749 3.960 435 1HE MET 54 1HE MET 54 -9.426 1.369 2.366 436 2HE MET 54 2HE MET 54 -10.565 1.408 1.023 437 3HE MET 54 3HE MET 54 -11.095 1.894 2.632 438 H GLU 55 H GLU 55 -5.701 6.848 5.535 439 HA GLU 55 HA GLU 55 -4.629 8.953 5.419 440 1HB GLU 55 2HB GLU 55 -4.112 7.753 2.680 441 2HB GLU 55 1HB GLU 55 -3.228 9.126 3.345 442 1HG GLU 55 2HG GLU 55 -3.225 7.105 5.339 443 2HG GLU 55 1HG GLU 55 -2.792 6.325 3.817 444 H ARG 56 H ARG 56 -4.401 10.922 3.643 445 HA ARG 56 HA ARG 56 -7.018 11.319 2.273 446 1HB ARG 56 2HB ARG 56 -7.123 12.104 4.661 447 2HB ARG 56 1HB ARG 56 -5.818 13.233 4.298 448 1HG ARG 56 2HG ARG 56 -7.277 14.146 2.430 449 2HG ARG 56 1HG ARG 56 -8.594 13.179 3.094 450 1HD ARG 56 2HD ARG 56 -8.362 14.340 5.267 451 2HD ARG 56 1HD ARG 56 -7.047 15.324 4.593 452 HE ARG 56 HE ARG 56 -9.753 15.311 3.319 453 1HH1 ARG 56 1HH2 ARG 56 -8.410 17.105 5.678 454 2HH1 ARG 56 2HH2 ARG 56 -8.304 18.594 4.798 455 1HH2 ARG 56 1HH1 ARG 56 -9.019 17.141 1.732 456 2HH2 ARG 56 2HH1 ARG 56 -8.649 18.614 2.564 Start of MODEL 19 1 1H ALA 2 1H ALA 2 9.801 -13.135 -16.844 2 2H ALA 2 2H ALA 2 9.008 -14.141 -15.728 3 3H ALA 2 3H ALA 2 10.610 -14.473 -16.187 4 HA ALA 2 HA ALA 2 11.496 -12.871 -14.846 5 1HB ALA 2 1HB ALA 2 8.843 -11.416 -15.024 6 2HB ALA 2 2HB ALA 2 10.124 -11.223 -16.220 7 3HB ALA 2 3HB ALA 2 10.403 -10.746 -14.546 8 H LYS 3 H LYS 3 10.184 -11.607 -12.666 9 HA LYS 3 HA LYS 3 8.526 -13.681 -11.344 10 1HB LYS 3 2HB LYS 3 11.250 -13.806 -11.180 11 2HB LYS 3 1HB LYS 3 10.882 -12.790 -9.788 12 1HG LYS 3 2HG LYS 3 10.696 -14.908 -8.843 13 2HG LYS 3 1HG LYS 3 9.027 -14.612 -9.331 14 1HD LYS 3 2HD LYS 3 9.074 -16.278 -10.856 15 2HD LYS 3 1HD LYS 3 10.632 -15.751 -11.493 16 1HE LYS 3 2HE LYS 3 10.878 -16.905 -8.812 17 2HE LYS 3 1HE LYS 3 10.220 -18.055 -9.992 18 1HZ LYS 3 1HZ LYS 3 12.631 -16.362 -10.392 19 2HZ LYS 3 2HZ LYS 3 11.992 -17.460 -11.521 20 3HZ LYS 3 3HZ LYS 3 12.649 -18.023 -10.059 21 H VAL 4 H VAL 4 7.073 -11.714 -11.553 22 HA VAL 4 HA VAL 4 7.748 -9.436 -9.777 23 HB VAL 4 HB VAL 4 6.799 -9.045 -12.004 24 1HG1 VAL 4 1HG1 VAL 4 5.401 -10.645 -12.777 25 2HG1 VAL 4 2HG1 VAL 4 4.145 -9.859 -11.819 26 3HG1 VAL 4 3HG1 VAL 4 5.043 -11.220 -11.148 27 1HG2 VAL 4 1HG2 VAL 4 4.397 -8.423 -10.416 28 2HG2 VAL 4 2HG2 VAL 4 5.494 -7.335 -11.265 29 3HG2 VAL 4 3HG2 VAL 4 5.906 -7.922 -9.653 30 H GLN 5 H GLN 5 6.308 -8.822 -8.024 31 HA GLN 5 HA GLN 5 5.115 -9.374 -6.051 32 1HB GLN 5 2HB GLN 5 3.536 -10.694 -8.281 33 2HB GLN 5 1HB GLN 5 2.910 -10.433 -6.654 34 1HG GLN 5 2HG GLN 5 3.321 -7.995 -6.908 35 2HG GLN 5 1HG GLN 5 3.863 -8.281 -8.562 36 1HE2 GLN 5 1HE2 GLN 5 2.246 -8.875 -10.167 37 2HE2 GLN 5 2HE2 GLN 5 0.585 -8.722 -9.854 38 H ALA 6 H ALA 6 3.711 -11.643 -5.299 39 HA ALA 6 HA ALA 6 4.896 -14.164 -5.872 40 1HB ALA 6 1HB ALA 6 6.275 -12.394 -3.866 41 2HB ALA 6 2HB ALA 6 6.987 -13.400 -5.128 42 3HB ALA 6 3HB ALA 6 6.332 -14.143 -3.670 43 H TYR 7 H TYR 7 3.217 -15.423 -5.182 44 HA TYR 7 HA TYR 7 1.141 -14.793 -3.448 45 1HB TYR 7 2HB TYR 7 0.818 -17.206 -3.315 46 2HB TYR 7 1HB TYR 7 1.426 -16.810 -4.924 47 HD1 TYR 7 1HD TYR 7 3.692 -17.388 -5.601 48 HD2 TYR 7 2HD TYR 7 2.264 -18.290 -1.651 49 HE1 TYR 7 1HE TYR 7 5.641 -18.877 -5.235 50 HE2 TYR 7 2HE TYR 7 4.212 -19.779 -1.286 51 HH TYR 7 HH TYR 7 5.809 -21.101 -2.725 52 H VAL 8 H VAL 8 0.762 -15.173 -1.181 53 HA VAL 8 HA VAL 8 1.377 -15.133 1.102 54 HB VAL 8 HB VAL 8 3.382 -17.024 -0.159 55 1HG1 VAL 8 1HG1 VAL 8 3.334 -15.905 2.506 56 2HG1 VAL 8 2HG1 VAL 8 4.488 -17.038 1.802 57 3HG1 VAL 8 3HG1 VAL 8 3.021 -17.639 2.574 58 1HG2 VAL 8 1HG2 VAL 8 1.046 -17.710 1.620 59 2HG2 VAL 8 2HG2 VAL 8 1.879 -18.735 0.449 60 3HG2 VAL 8 3HG2 VAL 8 0.811 -17.445 -0.108 61 H SER 9 H SER 9 2.041 -12.817 0.807 62 HA SER 9 HA SER 9 4.709 -12.332 1.801 63 1HB SER 9 2HB SER 9 4.174 -12.354 -1.113 64 2HB SER 9 1HB SER 9 5.091 -10.969 -0.529 65 HG SER 9 HG SER 9 6.600 -12.498 -0.871 66 H ASP 10 H ASP 10 5.173 -9.826 1.586 67 HA ASP 10 HA ASP 10 3.036 -8.385 2.778 68 1HB ASP 10 2HB ASP 10 5.763 -7.998 1.888 69 2HB ASP 10 1HB ASP 10 4.795 -6.570 1.516 70 H GLU 11 H GLU 11 1.277 -8.968 1.173 71 HA GLU 11 HA GLU 11 1.225 -8.113 -1.534 72 1HB GLU 11 2HB GLU 11 -1.228 -8.265 -1.212 73 2HB GLU 11 1HB GLU 11 -0.401 -9.619 -0.439 74 1HG GLU 11 2HG GLU 11 -1.613 -9.033 1.392 75 2HG GLU 11 1HG GLU 11 -0.403 -7.763 1.577 76 H ILE 12 H ILE 12 1.213 -6.249 1.362 77 HA ILE 12 HA ILE 12 -0.329 -3.980 0.660 78 HB ILE 12 HB ILE 12 1.119 -2.854 2.312 79 1HG1 ILE 12 2HG1 ILE 12 2.866 -5.284 1.839 80 2HG1 ILE 12 1HG1 ILE 12 3.300 -3.589 1.612 81 1HG2 ILE 12 1HG2 ILE 12 0.850 -5.711 3.230 82 2HG2 ILE 12 2HG2 ILE 12 -0.584 -4.739 2.898 83 3HG2 ILE 12 3HG2 ILE 12 0.561 -4.226 4.139 84 1HD1 ILE 12 1HD1 ILE 12 4.163 -3.733 3.706 85 2HD1 ILE 12 2HD1 ILE 12 3.249 -5.195 4.078 86 3HD1 ILE 12 3HD1 ILE 12 2.485 -3.613 4.237 87 H VAL 13 H VAL 13 2.716 -5.097 -0.602 88 HA VAL 13 HA VAL 13 3.982 -2.767 -1.495 89 HB VAL 13 HB VAL 13 4.903 -4.999 -1.750 90 1HG1 VAL 13 1HG1 VAL 13 2.475 -5.883 -2.296 91 2HG1 VAL 13 2HG1 VAL 13 3.885 -6.726 -2.938 92 3HG1 VAL 13 3HG1 VAL 13 2.976 -5.618 -3.966 93 1HG2 VAL 13 1HG2 VAL 13 5.559 -4.929 -4.162 94 2HG2 VAL 13 2HG2 VAL 13 5.699 -3.357 -3.376 95 3HG2 VAL 13 3HG2 VAL 13 4.326 -3.696 -4.431 96 H TYR 14 H TYR 14 1.306 -4.532 -3.071 97 HA TYR 14 HA TYR 14 1.134 -2.743 -5.341 98 1HB TYR 14 2HB TYR 14 0.144 -5.214 -4.532 99 2HB TYR 14 1HB TYR 14 -1.292 -4.191 -4.578 100 HD1 TYR 14 1HD TYR 14 -2.351 -3.774 -6.621 101 HD2 TYR 14 2HD TYR 14 1.755 -5.035 -6.592 102 HE1 TYR 14 1HE TYR 14 -2.378 -3.915 -9.097 103 HE2 TYR 14 2HE TYR 14 1.729 -5.176 -9.068 104 HH TYR 14 HH TYR 14 0.530 -4.385 -10.941 105 H LYS 15 H LYS 15 -0.670 -3.018 -2.270 106 HA LYS 15 HA LYS 15 -2.498 -0.848 -2.885 107 1HB LYS 15 2HB LYS 15 -2.303 -2.923 -1.079 108 2HB LYS 15 1HB LYS 15 -1.982 -1.516 -0.064 109 1HG LYS 15 2HG LYS 15 -4.254 -1.374 0.040 110 2HG LYS 15 1HG LYS 15 -4.089 -0.608 -1.540 111 1HD LYS 15 2HD LYS 15 -4.228 -3.600 -1.388 112 2HD LYS 15 1HD LYS 15 -5.716 -2.665 -1.235 113 1HE LYS 15 2HE LYS 15 -5.712 -2.754 -3.529 114 2HE LYS 15 1HE LYS 15 -4.526 -1.440 -3.393 115 1HZ LYS 15 1HZ LYS 15 -3.972 -4.353 -3.553 116 2HZ LYS 15 2HZ LYS 15 -2.797 -3.197 -3.142 117 3HZ LYS 15 3HZ LYS 15 -3.527 -3.162 -4.676 118 H ILE 16 H ILE 16 0.407 -1.090 -0.789 119 HA ILE 16 HA ILE 16 0.367 1.583 0.183 120 HB ILE 16 HB ILE 16 2.652 -0.319 -0.424 121 1HG1 ILE 16 2HG1 ILE 16 1.012 0.198 2.078 122 2HG1 ILE 16 1HG1 ILE 16 0.975 -1.265 1.092 123 1HG2 ILE 16 1HG2 ILE 16 3.475 1.158 1.696 124 2HG2 ILE 16 2HG2 ILE 16 2.521 2.367 0.836 125 3HG2 ILE 16 3HG2 ILE 16 3.870 1.567 0.028 126 1HD1 ILE 16 1HD1 ILE 16 3.408 -0.212 2.565 127 2HD1 ILE 16 2HD1 ILE 16 3.341 -1.691 1.605 128 3HD1 ILE 16 3HD1 ILE 16 2.403 -1.561 3.093 129 H ASN 17 H ASN 17 1.599 0.235 -2.851 130 HA ASN 17 HA ASN 17 3.210 2.339 -3.783 131 1HB ASN 17 2HB ASN 17 1.818 0.025 -4.775 132 2HB ASN 17 1HB ASN 17 1.639 1.342 -5.936 133 1HD2 ASN 17 1HD2 ASN 17 3.463 -1.219 -5.767 134 2HD2 ASN 17 2HD2 ASN 17 4.999 -0.611 -6.162 135 H LYS 18 H LYS 18 -0.227 1.905 -4.734 136 HA LYS 18 HA LYS 18 -0.570 4.476 -5.871 137 1HB LYS 18 2HB LYS 18 -2.943 3.949 -5.665 138 2HB LYS 18 1HB LYS 18 -2.064 2.471 -6.054 139 1HG LYS 18 2HG LYS 18 -2.021 2.658 -3.245 140 2HG LYS 18 1HG LYS 18 -3.668 3.070 -3.722 141 1HD LYS 18 2HD LYS 18 -2.131 0.573 -4.492 142 2HD LYS 18 1HD LYS 18 -3.541 0.663 -3.437 143 1HE LYS 18 2HE LYS 18 -4.044 1.919 -6.032 144 2HE LYS 18 1HE LYS 18 -3.620 0.202 -6.181 145 1HZ LYS 18 1HZ LYS 18 -6.059 0.983 -5.550 146 2HZ LYS 18 2HZ LYS 18 -5.392 0.962 -3.987 147 3HZ LYS 18 3HZ LYS 18 -5.385 -0.447 -4.937 148 H ILE 19 H ILE 19 -0.485 3.499 -2.520 149 HA ILE 19 HA ILE 19 -1.881 5.817 -1.452 150 HB ILE 19 HB ILE 19 0.019 3.756 -0.290 151 1HG1 ILE 19 2HG1 ILE 19 -2.192 2.971 -1.208 152 2HG1 ILE 19 1HG1 ILE 19 -2.009 2.696 0.525 153 1HG2 ILE 19 1HG2 ILE 19 -1.566 5.986 0.988 154 2HG2 ILE 19 2HG2 ILE 19 0.132 5.571 1.225 155 3HG2 ILE 19 3HG2 ILE 19 -1.131 4.536 1.894 156 1HD1 ILE 19 1HD1 ILE 19 -3.438 5.068 -0.715 157 2HD1 ILE 19 2HD1 ILE 19 -3.301 4.723 1.009 158 3HD1 ILE 19 3HD1 ILE 19 -4.235 3.651 -0.034 159 H VAL 20 H VAL 20 1.576 4.887 -1.146 160 HA VAL 20 HA VAL 20 2.548 7.371 -0.234 161 HB VAL 20 HB VAL 20 3.928 5.437 -2.116 162 1HG1 VAL 20 1HG1 VAL 20 5.477 6.442 0.105 163 2HG1 VAL 20 2HG1 VAL 20 4.787 7.784 -0.807 164 3HG1 VAL 20 3HG1 VAL 20 5.794 6.588 -1.624 165 1HG2 VAL 20 1HG2 VAL 20 3.114 3.982 -0.490 166 2HG2 VAL 20 2HG2 VAL 20 3.129 5.217 0.767 167 3HG2 VAL 20 3HG2 VAL 20 4.641 4.479 0.238 168 H GLU 21 H GLU 21 2.234 6.199 -3.591 169 HA GLU 21 HA GLU 21 3.373 8.429 -4.915 170 1HB GLU 21 2HB GLU 21 2.529 6.049 -5.668 171 2HB GLU 21 1HB GLU 21 1.030 6.909 -6.017 172 1HG GLU 21 2HG GLU 21 2.178 8.435 -7.508 173 2HG GLU 21 1HG GLU 21 3.746 7.763 -7.056 174 H ARG 22 H ARG 22 -0.142 7.770 -4.504 175 HA ARG 22 HA ARG 22 -1.245 10.080 -5.525 176 1HB ARG 22 2HB ARG 22 -2.338 8.081 -4.386 177 2HB ARG 22 1HB ARG 22 -2.019 8.889 -2.850 178 1HG ARG 22 2HG ARG 22 -4.240 9.522 -3.447 179 2HG ARG 22 1HG ARG 22 -3.232 10.919 -3.833 180 1HD ARG 22 2HD ARG 22 -3.817 10.796 -6.017 181 2HD ARG 22 1HD ARG 22 -3.334 9.088 -6.089 182 HE ARG 22 HE ARG 22 -5.831 9.477 -4.641 183 1HH1 ARG 22 1HH2 ARG 22 -4.503 7.625 -6.978 184 2HH1 ARG 22 2HH2 ARG 22 -5.839 7.662 -8.078 185 1HH2 ARG 22 1HH1 ARG 22 -7.505 10.190 -6.384 186 2HH2 ARG 22 2HH1 ARG 22 -7.540 9.116 -7.743 187 H ARG 23 H ARG 23 -0.048 9.778 -2.154 188 HA ARG 23 HA ARG 23 -0.548 12.324 -1.185 189 1HB ARG 23 2HB ARG 23 1.383 10.170 -0.776 190 2HB ARG 23 1HB ARG 23 2.073 11.745 -0.389 191 1HG ARG 23 2HG ARG 23 1.071 11.211 1.639 192 2HG ARG 23 1HG ARG 23 -0.236 12.097 0.855 193 1HD ARG 23 2HD ARG 23 -1.464 10.158 0.415 194 2HD ARG 23 1HD ARG 23 -0.023 9.122 0.450 195 HE ARG 23 HE ARG 23 0.068 9.559 2.931 196 1HH1 ARG 23 1HH2 ARG 23 -2.772 8.901 1.295 197 2HH1 ARG 23 2HH2 ARG 23 -3.835 9.328 2.595 198 1HH2 ARG 23 1HH1 ARG 23 -1.314 10.670 4.564 199 2HH2 ARG 23 2HH1 ARG 23 -3.009 10.332 4.447 200 H ARG 24 H ARG 24 2.689 11.587 -2.523 201 HA ARG 24 HA ARG 24 3.276 14.354 -3.066 202 1HB ARG 24 2HB ARG 24 5.092 12.856 -2.775 203 2HB ARG 24 1HB ARG 24 4.404 11.668 -3.879 204 1HG ARG 24 2HG ARG 24 5.152 12.768 -5.753 205 2HG ARG 24 1HG ARG 24 5.002 14.360 -5.006 206 1HD ARG 24 2HD ARG 24 7.251 14.309 -4.699 207 2HD ARG 24 1HD ARG 24 6.982 13.026 -3.504 208 HE ARG 24 HE ARG 24 7.910 11.562 -5.097 209 1HH1 ARG 24 1HH1 ARG 24 7.889 14.379 -6.755 210 2HH1 ARG 24 2HH1 ARG 24 7.458 13.722 -8.297 211 1HH2 ARG 24 1HH2 ARG 24 6.638 10.598 -7.039 212 2HH2 ARG 24 2HH2 ARG 24 6.753 11.582 -8.459 213 H ALA 25 H ALA 25 1.861 11.731 -4.978 214 HA ALA 25 HA ALA 25 1.994 12.652 -7.588 215 1HB ALA 25 1HB ALA 25 0.811 10.617 -6.712 216 2HB ALA 25 2HB ALA 25 -0.160 11.521 -7.874 217 3HB ALA 25 3HB ALA 25 -0.491 11.663 -6.149 218 H GLU 26 H GLU 26 0.001 13.912 -4.929 219 HA GLU 26 HA GLU 26 -1.242 15.921 -6.675 220 1HB GLU 26 2HB GLU 26 -1.342 15.473 -3.676 221 2HB GLU 26 1HB GLU 26 -2.450 16.480 -4.610 222 1HG GLU 26 2HG GLU 26 -2.067 13.529 -5.157 223 2HG GLU 26 1HG GLU 26 -3.303 14.145 -4.058 224 H GLY 27 H GLY 27 1.424 15.603 -4.439 225 1HA GLY 27 2HA GLY 27 3.073 17.134 -3.766 226 2HA GLY 27 1HA GLY 27 2.677 18.029 -5.237 227 H ALA 28 H ALA 28 0.452 17.274 -2.601 228 HA ALA 28 HA ALA 28 -0.100 20.186 -2.360 229 1HB ALA 28 1HB ALA 28 -1.530 17.668 -2.120 230 2HB ALA 28 2HB ALA 28 -2.175 19.292 -2.360 231 3HB ALA 28 3HB ALA 28 -1.839 18.709 -0.730 232 H LYS 29 H LYS 29 2.334 19.015 -1.152 233 HA LYS 29 HA LYS 29 2.614 20.438 1.209 234 1HB LYS 29 2HB LYS 29 0.826 18.146 1.500 235 2HB LYS 29 1HB LYS 29 2.178 18.064 2.629 236 1HG LYS 29 2HG LYS 29 1.656 20.189 3.571 237 2HG LYS 29 1HG LYS 29 0.556 20.586 2.253 238 1HD LYS 29 2HD LYS 29 -1.160 19.365 3.140 239 2HD LYS 29 1HD LYS 29 -0.082 18.106 3.746 240 1HE LYS 29 2HE LYS 29 -0.634 19.058 5.779 241 2HE LYS 29 1HE LYS 29 0.673 20.177 5.342 242 1HZ LYS 29 1HZ LYS 29 -1.164 21.549 5.756 243 2HZ LYS 29 2HZ LYS 29 -2.241 20.517 4.941 244 3HZ LYS 29 3HZ LYS 29 -1.106 21.429 4.064 245 H SER 30 H SER 30 3.969 18.697 2.926 246 HA SER 30 HA SER 30 6.320 17.995 1.272 247 1HB SER 30 2HB SER 30 7.127 17.519 3.751 248 2HB SER 30 1HB SER 30 6.926 19.178 3.196 249 HG SER 30 HG SER 30 5.774 18.096 5.240 250 H THR 31 H THR 31 3.983 16.369 0.948 251 HA THR 31 HA THR 31 4.465 13.872 2.451 252 HB THR 31 HB THR 31 2.198 14.829 1.889 253 HG1 THR 31 1HG THR 31 2.510 12.592 2.275 254 1HG2 THR 31 1HG2 THR 31 1.448 14.384 -0.498 255 2HG2 THR 31 2HG2 THR 31 3.151 14.170 -0.904 256 3HG2 THR 31 3HG2 THR 31 2.576 15.724 -0.297 257 H ASP 32 H ASP 32 6.645 14.730 0.806 258 HA ASP 32 HA ASP 32 6.559 13.195 -1.700 259 1HB ASP 32 2HB ASP 32 7.714 15.310 -1.636 260 2HB ASP 32 1HB ASP 32 8.643 14.819 -0.220 261 H VAL 33 H VAL 33 6.432 11.950 1.138 262 HA VAL 33 HA VAL 33 8.771 10.497 1.759 263 HB VAL 33 HB VAL 33 6.432 10.795 2.890 264 1HG1 VAL 33 1HG1 VAL 33 5.876 8.091 1.734 265 2HG1 VAL 33 2HG1 VAL 33 5.446 9.516 0.792 266 3HG1 VAL 33 3HG1 VAL 33 4.753 9.277 2.395 267 1HG2 VAL 33 1HG2 VAL 33 6.952 8.096 3.558 268 2HG2 VAL 33 2HG2 VAL 33 7.534 9.536 4.394 269 3HG2 VAL 33 3HG2 VAL 33 8.507 8.804 3.120 270 H SER 34 H SER 34 7.954 7.759 1.570 271 HA SER 34 HA SER 34 7.532 7.132 -1.277 272 1HB SER 34 2HB SER 34 10.058 7.768 -0.498 273 2HB SER 34 1HB SER 34 10.060 6.038 -0.168 274 HG SER 34 HG SER 34 9.564 5.645 -2.285 275 H PHE 35 H PHE 35 8.035 4.574 -1.475 276 HA PHE 35 HA PHE 35 6.226 3.224 0.277 277 1HB PHE 35 2HB PHE 35 6.974 2.625 -2.079 278 2HB PHE 35 1HB PHE 35 8.475 2.029 -1.366 279 HD1 PHE 35 1HD PHE 35 8.264 0.295 0.554 280 HD2 PHE 35 2HD PHE 35 5.086 1.232 -2.177 281 HE1 PHE 35 1HE PHE 35 7.147 -1.846 1.119 282 HE2 PHE 35 2HE PHE 35 3.969 -0.907 -1.614 283 HZ PHE 35 HZ PHE 35 4.999 -2.447 0.036 284 H SER 36 H SER 36 9.800 2.955 0.066 285 HA SER 36 HA SER 36 10.363 1.259 2.171 286 1HB SER 36 2HB SER 36 12.301 2.010 1.221 287 2HB SER 36 1HB SER 36 11.617 3.595 0.870 288 HG SER 36 HG SER 36 13.335 3.105 2.694 289 H SER 37 H SER 37 9.560 4.725 2.428 290 HA SER 37 HA SER 37 9.766 4.734 5.346 291 1HB SER 37 2HB SER 37 9.490 6.569 3.134 292 2HB SER 37 1HB SER 37 8.294 6.951 4.369 293 HG SER 37 HG SER 37 10.809 7.585 4.394 294 H ILE 38 H ILE 38 7.065 4.985 2.996 295 HA ILE 38 HA ILE 38 4.978 4.963 4.974 296 HB ILE 38 HB ILE 38 5.079 4.203 2.038 297 1HG1 ILE 38 2HG1 ILE 38 5.794 6.538 2.744 298 2HG1 ILE 38 1HG1 ILE 38 4.425 6.482 1.634 299 1HG2 ILE 38 1HG2 ILE 38 2.557 5.152 2.546 300 2HG2 ILE 38 2HG2 ILE 38 2.898 4.242 4.018 301 3HG2 ILE 38 3HG2 ILE 38 2.980 3.442 2.447 302 1HD1 ILE 38 1HD1 ILE 38 2.858 6.896 3.378 303 2HD1 ILE 38 2HD1 ILE 38 4.177 8.034 3.658 304 3HD1 ILE 38 3HD1 ILE 38 4.055 6.568 4.631 305 H SER 39 H SER 39 6.965 2.438 3.672 306 HA SER 39 HA SER 39 5.104 0.239 4.055 307 1HB SER 39 2HB SER 39 6.799 -0.287 2.577 308 2HB SER 39 1HB SER 39 7.989 0.681 3.442 309 HG SER 39 HG SER 39 7.002 -1.900 4.040 310 H THR 40 H THR 40 8.195 0.790 5.767 311 HA THR 40 HA THR 40 7.889 -0.835 7.960 312 HB THR 40 HB THR 40 9.835 0.586 7.481 313 HG1 THR 40 1HG THR 40 8.926 1.489 9.970 314 1HG2 THR 40 1HG2 THR 40 8.384 2.944 8.641 315 2HG2 THR 40 2HG2 THR 40 8.222 2.574 6.925 316 3HG2 THR 40 3HG2 THR 40 9.812 2.916 7.606 317 H MET 41 H MET 41 6.463 2.432 7.635 318 HA MET 41 HA MET 41 5.234 2.397 10.264 319 1HB MET 41 2HB MET 41 4.204 4.454 9.463 320 2HB MET 41 1HB MET 41 5.875 4.406 8.900 321 1HG MET 41 2HG MET 41 5.241 3.848 6.695 322 2HG MET 41 1HG MET 41 3.629 3.339 7.194 323 1HE MET 41 1HE MET 41 1.769 5.203 5.894 324 2HE MET 41 2HE MET 41 1.449 6.067 7.395 325 3HE MET 41 3HE MET 41 1.870 4.357 7.445 326 H LEU 42 H LEU 42 4.271 1.281 7.073 327 HA LEU 42 HA LEU 42 1.433 1.128 7.534 328 1HB LEU 42 2HB LEU 42 3.421 0.445 5.552 329 2HB LEU 42 1HB LEU 42 2.283 -0.888 5.733 330 HG LEU 42 HG LEU 42 1.652 0.928 4.038 331 1HD1 LEU 42 1HD1 LEU 42 0.113 -0.591 5.869 332 2HD1 LEU 42 2HD1 LEU 42 -0.402 0.051 4.308 333 3HD1 LEU 42 3HD1 LEU 42 -0.646 0.999 5.774 334 1HD2 LEU 42 1HD2 LEU 42 0.423 2.569 6.115 335 2HD2 LEU 42 2HD2 LEU 42 1.382 3.067 4.722 336 3HD2 LEU 42 3HD2 LEU 42 2.183 2.589 6.220 337 H LEU 43 H LEU 43 3.963 -1.427 7.655 338 HA LEU 43 HA LEU 43 2.203 -3.468 8.658 339 1HB LEU 43 2HB LEU 43 4.285 -4.000 7.556 340 2HB LEU 43 1HB LEU 43 5.206 -3.055 8.728 341 HG LEU 43 HG LEU 43 3.699 -4.852 10.269 342 1HD1 LEU 43 1HD1 LEU 43 5.104 -6.358 8.050 343 2HD1 LEU 43 2HD1 LEU 43 3.365 -6.061 8.045 344 3HD1 LEU 43 3HD1 LEU 43 4.093 -7.020 9.334 345 1HD2 LEU 43 1HD2 LEU 43 6.181 -5.970 10.202 346 2HD2 LEU 43 2HD2 LEU 43 5.796 -4.515 11.121 347 3HD2 LEU 43 3HD2 LEU 43 6.533 -4.379 9.525 348 H GLU 44 H GLU 44 4.394 -1.169 10.292 349 HA GLU 44 HA GLU 44 4.150 -2.196 12.937 350 1HB GLU 44 2HB GLU 44 4.559 0.582 11.787 351 2HB GLU 44 1HB GLU 44 4.722 0.224 13.507 352 1HG GLU 44 2HG GLU 44 6.201 -1.523 11.591 353 2HG GLU 44 1HG GLU 44 6.818 0.109 11.850 354 H LEU 45 H LEU 45 2.031 -0.255 10.949 355 HA LEU 45 HA LEU 45 0.158 0.214 13.218 356 1HB LEU 45 2HB LEU 45 0.971 1.522 10.752 357 2HB LEU 45 1HB LEU 45 -0.784 1.352 10.823 358 HG LEU 45 HG LEU 45 0.461 2.211 13.355 359 1HD1 LEU 45 1HD1 LEU 45 0.924 3.654 10.801 360 2HD1 LEU 45 2HD1 LEU 45 1.849 3.695 12.303 361 3HD1 LEU 45 3HD1 LEU 45 0.366 4.638 12.155 362 1HD2 LEU 45 1HD2 LEU 45 -1.583 3.883 12.081 363 2HD2 LEU 45 2HD2 LEU 45 -1.615 3.074 13.648 364 3HD2 LEU 45 3HD2 LEU 45 -2.057 2.188 12.188 365 H GLY 46 H GLY 46 0.732 -2.236 11.109 366 1HA GLY 46 2HA GLY 46 -0.597 -3.952 10.217 367 2HA GLY 46 1HA GLY 46 -1.805 -3.480 11.414 368 H LEU 47 H LEU 47 -0.639 -1.160 9.100 369 HA LEU 47 HA LEU 47 -1.668 -0.143 7.233 370 1HB LEU 47 2HB LEU 47 -3.563 -2.507 7.289 371 2HB LEU 47 1HB LEU 47 -3.099 -1.526 5.902 372 HG LEU 47 HG LEU 47 -0.786 -2.718 7.244 373 1HD1 LEU 47 1HD1 LEU 47 -1.269 -5.020 6.372 374 2HD1 LEU 47 2HD1 LEU 47 -2.930 -4.510 6.065 375 3HD1 LEU 47 3HD1 LEU 47 -2.309 -4.553 7.716 376 1HD2 LEU 47 1HD2 LEU 47 -1.543 -1.781 4.715 377 2HD2 LEU 47 2HD2 LEU 47 -1.345 -3.521 4.502 378 3HD2 LEU 47 3HD2 LEU 47 -0.011 -2.552 5.129 379 H ARG 48 H ARG 48 -3.042 -0.551 10.214 380 HA ARG 48 HA ARG 48 -5.756 0.368 9.718 381 1HB ARG 48 2HB ARG 48 -4.926 -0.958 11.689 382 2HB ARG 48 1HB ARG 48 -4.055 0.477 12.229 383 1HG ARG 48 2HG ARG 48 -5.998 1.628 12.766 384 2HG ARG 48 1HG ARG 48 -6.977 0.719 11.614 385 1HD ARG 48 2HD ARG 48 -5.990 -1.187 13.463 386 2HD ARG 48 1HD ARG 48 -6.577 0.186 14.421 387 HE ARG 48 HE ARG 48 -8.389 -0.474 12.250 388 1HH1 ARG 48 1HH1 ARG 48 -8.174 -0.061 15.529 389 2HH1 ARG 48 2HH1 ARG 48 -9.331 -1.275 15.959 390 1HH2 ARG 48 1HH2 ARG 48 -9.551 -2.577 12.753 391 2HH2 ARG 48 2HH2 ARG 48 -10.112 -2.699 14.388 392 H VAL 49 H VAL 49 -2.679 1.918 9.857 393 HA VAL 49 HA VAL 49 -3.081 4.415 10.963 394 HB VAL 49 HB VAL 49 -0.971 3.958 10.060 395 1HG1 VAL 49 1HG1 VAL 49 -1.001 2.281 8.532 396 2HG1 VAL 49 2HG1 VAL 49 -1.069 3.583 7.345 397 3HG1 VAL 49 3HG1 VAL 49 -2.554 2.787 7.868 398 1HG2 VAL 49 1HG2 VAL 49 -1.550 5.520 7.671 399 2HG2 VAL 49 2HG2 VAL 49 -0.591 5.954 9.085 400 3HG2 VAL 49 3HG2 VAL 49 -2.338 6.195 9.097 401 H TYR 50 H TYR 50 -3.190 4.589 7.440 402 HA TYR 50 HA TYR 50 -5.124 6.671 7.399 403 1HB TYR 50 2HB TYR 50 -5.277 5.921 4.940 404 2HB TYR 50 1HB TYR 50 -3.671 6.339 5.537 405 HD1 TYR 50 1HD TYR 50 -5.974 3.415 5.119 406 HD2 TYR 50 2HD TYR 50 -1.915 4.798 5.357 407 HE1 TYR 50 1HE TYR 50 -5.166 1.141 4.547 408 HE2 TYR 50 2HE TYR 50 -1.106 2.523 4.786 409 HH TYR 50 HH TYR 50 -2.576 0.357 3.355 410 H GLU 51 H GLU 51 -5.493 3.156 7.331 411 HA GLU 51 HA GLU 51 -8.192 2.987 6.478 412 1HB GLU 51 2HB GLU 51 -6.158 1.320 7.123 413 2HB GLU 51 1HB GLU 51 -7.160 1.145 8.560 414 1HG GLU 51 2HG GLU 51 -8.767 1.117 6.142 415 2HG GLU 51 1HG GLU 51 -7.530 -0.138 6.105 416 H ALA 52 H ALA 52 -6.800 4.076 9.478 417 HA ALA 52 HA ALA 52 -9.102 3.576 11.174 418 1HB ALA 52 1HB ALA 52 -6.756 3.879 11.945 419 2HB ALA 52 2HB ALA 52 -7.847 5.029 12.720 420 3HB ALA 52 3HB ALA 52 -6.808 5.554 11.394 421 H GLN 53 H GLN 53 -7.752 6.671 9.968 422 HA GLN 53 HA GLN 53 -10.020 8.262 10.588 423 1HB GLN 53 2HB GLN 53 -7.749 8.441 8.605 424 2HB GLN 53 1HB GLN 53 -8.938 9.735 8.762 425 1HG GLN 53 2HG GLN 53 -7.623 8.670 11.237 426 2HG GLN 53 1HG GLN 53 -6.723 9.783 10.206 427 1HE2 GLN 53 1HE2 GLN 53 -7.480 11.994 10.049 428 2HE2 GLN 53 2HE2 GLN 53 -8.682 12.607 11.079 429 H MET 54 H MET 54 -9.434 6.044 7.965 430 HA MET 54 HA MET 54 -10.789 5.402 6.140 431 1HB MET 54 2HB MET 54 -12.884 6.807 7.832 432 2HB MET 54 1HB MET 54 -13.184 5.571 6.609 433 1HG MET 54 2HG MET 54 -11.226 4.790 8.672 434 2HG MET 54 1HG MET 54 -12.862 5.048 9.280 435 1HE MET 54 1HE MET 54 -14.919 2.266 8.202 436 2HE MET 54 2HE MET 54 -14.922 4.008 8.458 437 3HE MET 54 3HE MET 54 -14.171 2.952 9.650 438 H GLU 55 H GLU 55 -9.361 7.854 5.822 439 HA GLU 55 HA GLU 55 -11.086 9.985 4.880 440 1HB GLU 55 2HB GLU 55 -8.405 9.583 5.507 441 2HB GLU 55 1HB GLU 55 -8.382 9.836 3.761 442 1HG GLU 55 2HG GLU 55 -8.637 12.044 4.096 443 2HG GLU 55 1HG GLU 55 -10.197 11.730 4.858 444 H ARG 56 H ARG 56 -10.348 10.708 2.410 445 HA ARG 56 HA ARG 56 -10.395 8.404 0.560 446 1HB ARG 56 2HB ARG 56 -12.558 9.033 -0.381 447 2HB ARG 56 1HB ARG 56 -12.745 8.799 1.356 448 1HG ARG 56 2HG ARG 56 -12.136 11.408 1.378 449 2HG ARG 56 1HG ARG 56 -12.840 11.317 -0.238 450 1HD ARG 56 2HD ARG 56 -14.750 9.962 1.015 451 2HD ARG 56 1HD ARG 56 -14.150 10.864 2.422 452 HE ARG 56 HE ARG 56 -14.661 12.399 -0.067 453 1HH1 ARG 56 1HH1 ARG 56 -14.516 12.661 3.215 454 2HH1 ARG 56 2HH1 ARG 56 -16.028 13.480 3.424 455 1HH2 ARG 56 1HH2 ARG 56 -17.063 12.961 0.156 456 2HH2 ARG 56 2HH2 ARG 56 -17.470 13.651 1.691 Start of MODEL 20 1 1H ALA 2 1H ALA 2 -8.503 -18.402 -15.185 2 2H ALA 2 2H ALA 2 -9.495 -19.778 -15.277 3 3H ALA 2 3H ALA 2 -8.263 -19.537 -16.421 4 HA ALA 2 HA ALA 2 -7.959 -20.220 -13.545 5 1HB ALA 2 1HB ALA 2 -8.165 -21.622 -16.009 6 2HB ALA 2 2HB ALA 2 -7.779 -22.292 -14.424 7 3HB ALA 2 3HB ALA 2 -6.484 -21.749 -15.490 8 H LYS 3 H LYS 3 -6.206 -19.258 -12.597 9 HA LYS 3 HA LYS 3 -3.664 -18.976 -13.993 10 1HB LYS 3 2HB LYS 3 -5.182 -17.114 -14.855 11 2HB LYS 3 1HB LYS 3 -5.138 -16.445 -13.224 12 1HG LYS 3 2HG LYS 3 -2.508 -16.763 -13.567 13 2HG LYS 3 1HG LYS 3 -2.964 -16.610 -15.264 14 1HD LYS 3 2HD LYS 3 -4.423 -14.591 -14.078 15 2HD LYS 3 1HD LYS 3 -2.922 -14.571 -13.149 16 1HE LYS 3 2HE LYS 3 -1.595 -14.220 -15.109 17 2HE LYS 3 1HE LYS 3 -2.955 -14.605 -16.183 18 1HZ LYS 3 1HZ LYS 3 -2.918 -12.276 -16.074 19 2HZ LYS 3 2HZ LYS 3 -2.638 -12.263 -14.399 20 3HZ LYS 3 3HZ LYS 3 -4.154 -12.729 -15.005 21 H VAL 4 H VAL 4 -2.337 -19.562 -12.321 22 HA VAL 4 HA VAL 4 -2.941 -19.461 -9.558 23 HB VAL 4 HB VAL 4 -0.373 -19.477 -11.160 24 1HG1 VAL 4 1HG1 VAL 4 0.783 -20.104 -9.077 25 2HG1 VAL 4 2HG1 VAL 4 -0.713 -19.881 -8.171 26 3HG1 VAL 4 3HG1 VAL 4 0.072 -18.497 -8.932 27 1HG2 VAL 4 1HG2 VAL 4 -0.610 -21.739 -11.145 28 2HG2 VAL 4 2HG2 VAL 4 -2.297 -21.405 -10.753 29 3HG2 VAL 4 3HG2 VAL 4 -1.145 -21.760 -9.465 30 H GLN 5 H GLN 5 -3.224 -17.672 -8.286 31 HA GLN 5 HA GLN 5 -1.840 -15.137 -9.064 32 1HB GLN 5 2HB GLN 5 -4.491 -15.910 -8.155 33 2HB GLN 5 1HB GLN 5 -3.808 -14.637 -7.145 34 1HG GLN 5 2HG GLN 5 -3.199 -13.988 -9.848 35 2HG GLN 5 1HG GLN 5 -4.909 -14.409 -9.783 36 1HE2 GLN 5 1HE2 GLN 5 -5.469 -12.100 -10.091 37 2HE2 GLN 5 2HE2 GLN 5 -5.322 -11.004 -8.803 38 H ALA 6 H ALA 6 -0.783 -17.405 -7.467 39 HA ALA 6 HA ALA 6 0.659 -17.628 -5.596 40 1HB ALA 6 1HB ALA 6 0.247 -14.819 -4.762 41 2HB ALA 6 2HB ALA 6 0.772 -15.022 -6.434 42 3HB ALA 6 3HB ALA 6 1.747 -15.675 -5.116 43 H TYR 7 H TYR 7 -0.092 -18.661 -3.791 44 HA TYR 7 HA TYR 7 -2.689 -18.354 -2.684 45 1HB TYR 7 2HB TYR 7 -0.077 -19.406 -1.561 46 2HB TYR 7 1HB TYR 7 -1.644 -19.653 -0.788 47 HD1 TYR 7 1HD TYR 7 0.588 -21.465 -2.458 48 HD2 TYR 7 2HD TYR 7 -3.454 -20.127 -3.014 49 HE1 TYR 7 1HE TYR 7 0.155 -23.396 -3.953 50 HE2 TYR 7 2HE TYR 7 -3.887 -22.057 -4.510 51 HH TYR 7 HH TYR 7 -1.329 -24.442 -5.218 52 H VAL 8 H VAL 8 -3.477 -16.638 -1.555 53 HA VAL 8 HA VAL 8 -3.429 -14.542 -0.412 54 HB VAL 8 HB VAL 8 -2.564 -15.039 1.935 55 1HG1 VAL 8 1HG1 VAL 8 -4.274 -17.302 0.931 56 2HG1 VAL 8 2HG1 VAL 8 -4.879 -15.647 0.884 57 3HG1 VAL 8 3HG1 VAL 8 -4.424 -16.376 2.424 58 1HG2 VAL 8 1HG2 VAL 8 -0.780 -16.630 1.139 59 2HG2 VAL 8 2HG2 VAL 8 -2.055 -17.779 0.736 60 3HG2 VAL 8 3HG2 VAL 8 -1.803 -17.292 2.411 61 H SER 9 H SER 9 -1.873 -13.500 -1.963 62 HA SER 9 HA SER 9 0.922 -13.313 -0.926 63 1HB SER 9 2HB SER 9 0.922 -13.821 -3.216 64 2HB SER 9 1HB SER 9 -0.497 -12.826 -3.535 65 HG SER 9 HG SER 9 2.155 -11.998 -2.966 66 H ASP 10 H ASP 10 1.789 -11.267 -0.357 67 HA ASP 10 HA ASP 10 0.063 -9.326 0.787 68 1HB ASP 10 2HB ASP 10 2.812 -9.904 0.569 69 2HB ASP 10 1HB ASP 10 2.628 -8.258 -0.039 70 H GLU 11 H GLU 11 -1.456 -9.050 -1.125 71 HA GLU 11 HA GLU 11 -0.616 -7.802 -3.570 72 1HB GLU 11 2HB GLU 11 -2.744 -8.997 -3.238 73 2HB GLU 11 1HB GLU 11 -3.256 -7.779 -2.071 74 1HG GLU 11 2HG GLU 11 -2.850 -6.076 -3.986 75 2HG GLU 11 1HG GLU 11 -2.876 -7.485 -5.047 76 H ILE 12 H ILE 12 -0.959 -6.581 -0.366 77 HA ILE 12 HA ILE 12 -1.663 -3.852 -0.922 78 HB ILE 12 HB ILE 12 -0.199 -5.306 1.288 79 1HG1 ILE 12 2HG1 ILE 12 -2.916 -3.959 1.136 80 2HG1 ILE 12 1HG1 ILE 12 -2.637 -5.696 1.006 81 1HG2 ILE 12 1HG2 ILE 12 -0.351 -2.432 0.755 82 2HG2 ILE 12 2HG2 ILE 12 0.645 -3.304 1.920 83 3HG2 ILE 12 3HG2 ILE 12 -1.016 -2.867 2.329 84 1HD1 ILE 12 1HD1 ILE 12 -1.793 -4.035 3.396 85 2HD1 ILE 12 2HD1 ILE 12 -1.765 -5.793 3.258 86 3HD1 ILE 12 3HD1 ILE 12 -3.305 -4.936 3.316 87 H VAL 13 H VAL 13 1.397 -5.613 -0.986 88 HA VAL 13 HA VAL 13 3.333 -3.634 -0.882 89 HB VAL 13 HB VAL 13 3.793 -6.003 -1.226 90 1HG1 VAL 13 1HG1 VAL 13 3.013 -7.242 -3.008 91 2HG1 VAL 13 2HG1 VAL 13 3.054 -5.867 -4.113 92 3HG1 VAL 13 3HG1 VAL 13 1.739 -6.024 -2.949 93 1HG2 VAL 13 1HG2 VAL 13 4.740 -4.370 -3.603 94 2HG2 VAL 13 2HG2 VAL 13 5.499 -5.841 -2.996 95 3HG2 VAL 13 3HG2 VAL 13 5.496 -4.380 -2.008 96 H TYR 14 H TYR 14 1.174 -4.357 -3.618 97 HA TYR 14 HA TYR 14 2.384 -2.456 -5.438 98 1HB TYR 14 2HB TYR 14 1.000 -4.467 -6.018 99 2HB TYR 14 1HB TYR 14 -0.413 -3.635 -5.371 100 HD1 TYR 14 1HD TYR 14 -1.661 -2.193 -6.741 101 HD2 TYR 14 2HD TYR 14 2.357 -3.226 -7.856 102 HE1 TYR 14 1HE TYR 14 -1.958 -1.018 -8.903 103 HE2 TYR 14 2HE TYR 14 2.059 -2.050 -10.019 104 HH TYR 14 HH TYR 14 0.719 -0.459 -11.075 105 H LYS 15 H LYS 15 -0.417 -2.337 -3.230 106 HA LYS 15 HA LYS 15 -1.315 0.287 -4.011 107 1HB LYS 15 2HB LYS 15 -1.615 -1.374 -1.487 108 2HB LYS 15 1HB LYS 15 -2.541 0.090 -1.818 109 1HG LYS 15 2HG LYS 15 -3.627 -0.890 -3.692 110 2HG LYS 15 1HG LYS 15 -2.478 -2.227 -3.755 111 1HD LYS 15 2HD LYS 15 -4.195 -3.304 -2.665 112 2HD LYS 15 1HD LYS 15 -3.391 -2.604 -1.260 113 1HE LYS 15 2HE LYS 15 -4.933 -0.708 -1.262 114 2HE LYS 15 1HE LYS 15 -5.692 -1.294 -2.755 115 1HZ LYS 15 1HZ LYS 15 -5.465 -2.956 -0.311 116 2HZ LYS 15 2HZ LYS 15 -6.418 -3.249 -1.687 117 3HZ LYS 15 3HZ LYS 15 -6.820 -1.985 -0.626 118 H ILE 16 H ILE 16 0.852 -0.866 -1.419 119 HA ILE 16 HA ILE 16 1.294 1.407 0.093 120 HB ILE 16 HB ILE 16 3.225 -0.640 -1.032 121 1HG1 ILE 16 2HG1 ILE 16 1.825 -0.353 1.646 122 2HG1 ILE 16 1HG1 ILE 16 1.424 -1.527 0.392 123 1HG2 ILE 16 1HG2 ILE 16 4.428 1.414 -0.312 124 2HG2 ILE 16 2HG2 ILE 16 4.777 0.040 0.739 125 3HG2 ILE 16 3HG2 ILE 16 3.652 1.293 1.268 126 1HD1 ILE 16 1HD1 ILE 16 3.040 -2.921 1.105 127 2HD1 ILE 16 2HD1 ILE 16 3.310 -1.836 2.469 128 3HD1 ILE 16 3HD1 ILE 16 4.249 -1.643 0.988 129 H ASN 17 H ASN 17 2.860 0.671 -3.044 130 HA ASN 17 HA ASN 17 4.342 3.157 -3.151 131 1HB ASN 17 2HB ASN 17 4.164 0.699 -4.517 132 2HB ASN 17 1HB ASN 17 3.773 1.930 -5.718 133 1HD2 ASN 17 1HD2 ASN 17 6.348 0.231 -5.001 134 2HD2 ASN 17 2HD2 ASN 17 7.580 1.398 -5.053 135 H LYS 18 H LYS 18 1.070 2.261 -3.941 136 HA LYS 18 HA LYS 18 0.566 4.397 -5.853 137 1HB LYS 18 2HB LYS 18 -0.760 2.139 -4.630 138 2HB LYS 18 1HB LYS 18 -1.821 3.547 -4.590 139 1HG LYS 18 2HG LYS 18 -2.053 3.597 -6.855 140 2HG LYS 18 1HG LYS 18 -0.368 3.160 -7.134 141 1HD LYS 18 2HD LYS 18 -1.122 1.103 -7.687 142 2HD LYS 18 1HD LYS 18 -1.467 0.876 -5.972 143 1HE LYS 18 2HE LYS 18 -3.528 2.413 -7.441 144 2HE LYS 18 1HE LYS 18 -3.378 0.708 -7.916 145 1HZ LYS 18 1HZ LYS 18 -4.735 0.582 -6.065 146 2HZ LYS 18 2HZ LYS 18 -3.941 1.846 -5.254 147 3HZ LYS 18 3HZ LYS 18 -3.204 0.322 -5.386 148 H ILE 19 H ILE 19 0.487 4.112 -2.351 149 HA ILE 19 HA ILE 19 -1.127 6.498 -1.899 150 HB ILE 19 HB ILE 19 0.649 4.702 -0.237 151 1HG1 ILE 19 2HG1 ILE 19 -2.291 5.213 0.129 152 2HG1 ILE 19 1HG1 ILE 19 -1.748 4.128 -1.151 153 1HG2 ILE 19 1HG2 ILE 19 -0.709 6.073 1.636 154 2HG2 ILE 19 2HG2 ILE 19 -0.559 7.344 0.422 155 3HG2 ILE 19 3HG2 ILE 19 0.886 6.575 1.076 156 1HD1 ILE 19 1HD1 ILE 19 -1.826 2.556 0.499 157 2HD1 ILE 19 2HD1 ILE 19 -1.693 3.756 1.785 158 3HD1 ILE 19 3HD1 ILE 19 -0.249 3.220 0.927 159 H VAL 20 H VAL 20 2.367 5.754 -1.577 160 HA VAL 20 HA VAL 20 3.233 8.354 -0.826 161 HB VAL 20 HB VAL 20 4.699 6.361 -2.578 162 1HG1 VAL 20 1HG1 VAL 20 6.245 8.018 -2.303 163 2HG1 VAL 20 2HG1 VAL 20 6.457 7.281 -0.715 164 3HG1 VAL 20 3HG1 VAL 20 5.417 8.694 -0.900 165 1HG2 VAL 20 1HG2 VAL 20 4.357 4.847 -0.938 166 2HG2 VAL 20 2HG2 VAL 20 3.584 6.049 0.095 167 3HG2 VAL 20 3HG2 VAL 20 5.339 5.876 0.103 168 H GLU 21 H GLU 21 3.058 6.876 -4.085 169 HA GLU 21 HA GLU 21 3.968 9.115 -5.568 170 1HB GLU 21 2HB GLU 21 3.480 6.637 -6.193 171 2HB GLU 21 1HB GLU 21 1.836 7.198 -6.500 172 1HG GLU 21 2HG GLU 21 3.210 9.107 -7.830 173 2HG GLU 21 1HG GLU 21 4.337 7.760 -8.003 174 H ARG 22 H ARG 22 0.565 8.095 -5.018 175 HA ARG 22 HA ARG 22 -0.768 10.219 -6.233 176 1HB ARG 22 2HB ARG 22 -1.489 8.070 -4.823 177 2HB ARG 22 1HB ARG 22 -1.684 9.271 -3.544 178 1HG ARG 22 2HG ARG 22 -3.447 10.300 -4.590 179 2HG ARG 22 1HG ARG 22 -2.816 9.972 -6.204 180 1HD ARG 22 2HD ARG 22 -3.342 7.443 -5.498 181 2HD ARG 22 1HD ARG 22 -4.534 8.254 -4.462 182 HE ARG 22 HE ARG 22 -4.532 8.254 -7.407 183 1HH1 ARG 22 1HH1 ARG 22 -6.847 8.038 -5.337 184 2HH1 ARG 22 2HH1 ARG 22 -7.674 9.526 -5.655 185 1HH2 ARG 22 1HH2 ARG 22 -5.050 10.907 -7.453 186 2HH2 ARG 22 2HH2 ARG 22 -6.657 11.150 -6.853 187 H ARG 23 H ARG 23 0.398 10.137 -2.841 188 HA ARG 23 HA ARG 23 -0.459 12.677 -2.014 189 1HB ARG 23 2HB ARG 23 1.673 10.739 -1.352 190 2HB ARG 23 1HB ARG 23 1.999 12.391 -0.827 191 1HG ARG 23 2HG ARG 23 0.804 11.193 0.939 192 2HG ARG 23 1HG ARG 23 -0.236 12.451 0.272 193 1HD ARG 23 2HD ARG 23 -1.151 10.613 -1.303 194 2HD ARG 23 1HD ARG 23 -0.381 9.465 -0.187 195 HE ARG 23 HE ARG 23 -1.691 10.971 1.596 196 1HH1 ARG 23 1HH2 ARG 23 -3.144 11.812 -1.106 197 2HH1 ARG 23 2HH2 ARG 23 -4.620 10.933 -0.896 198 1HH2 ARG 23 1HH1 ARG 23 -3.407 8.993 1.708 199 2HH2 ARG 23 2HH1 ARG 23 -4.770 9.337 0.697 200 H ARG 24 H ARG 24 2.923 12.068 -3.053 201 HA ARG 24 HA ARG 24 3.457 14.843 -3.554 202 1HB ARG 24 2HB ARG 24 5.227 13.250 -3.121 203 2HB ARG 24 1HB ARG 24 4.730 12.249 -4.486 204 1HG ARG 24 2HG ARG 24 5.462 13.858 -6.073 205 2HG ARG 24 1HG ARG 24 5.578 15.124 -4.851 206 1HD ARG 24 2HD ARG 24 7.824 14.227 -5.473 207 2HD ARG 24 1HD ARG 24 7.448 13.908 -3.767 208 HE ARG 24 HE ARG 24 6.574 11.797 -5.609 209 1HH1 ARG 24 1HH2 ARG 24 9.295 13.109 -3.975 210 2HH1 ARG 24 2HH2 ARG 24 9.963 11.567 -3.559 211 1HH2 ARG 24 1HH1 ARG 24 7.324 9.762 -4.904 212 2HH2 ARG 24 2HH1 ARG 24 8.848 9.671 -4.085 213 H ALA 25 H ALA 25 2.156 12.243 -5.559 214 HA ALA 25 HA ALA 25 2.470 13.206 -8.154 215 1HB ALA 25 1HB ALA 25 0.408 11.714 -6.613 216 2HB ALA 25 2HB ALA 25 1.242 11.258 -8.099 217 3HB ALA 25 3HB ALA 25 -0.123 12.372 -8.160 218 H GLU 26 H GLU 26 -0.040 14.172 -5.790 219 HA GLU 26 HA GLU 26 -1.009 16.330 -7.499 220 1HB GLU 26 2HB GLU 26 -1.495 15.709 -4.569 221 2HB GLU 26 1HB GLU 26 -2.508 16.716 -5.603 222 1HG GLU 26 2HG GLU 26 -2.395 14.419 -7.076 223 2HG GLU 26 1HG GLU 26 -2.331 13.772 -5.435 224 H GLY 27 H GLY 27 1.468 15.909 -5.132 225 1HA GLY 27 2HA GLY 27 3.034 17.402 -4.230 226 2HA GLY 27 1HA GLY 27 2.572 18.516 -5.519 227 H ALA 28 H ALA 28 0.170 17.272 -3.328 228 HA ALA 28 HA ALA 28 -0.092 20.024 -2.167 229 1HB ALA 28 1HB ALA 28 -1.973 19.324 -3.524 230 2HB ALA 28 2HB ALA 28 -2.482 19.271 -1.836 231 3HB ALA 28 3HB ALA 28 -2.064 17.779 -2.679 232 H LYS 29 H LYS 29 1.752 18.137 -1.013 233 HA LYS 29 HA LYS 29 0.955 18.235 1.742 234 1HB LYS 29 2HB LYS 29 -0.498 16.397 0.449 235 2HB LYS 29 1HB LYS 29 0.926 15.408 0.771 236 1HG LYS 29 2HG LYS 29 0.353 15.179 2.933 237 2HG LYS 29 1HG LYS 29 0.218 16.927 3.126 238 1HD LYS 29 2HD LYS 29 -2.007 15.961 1.571 239 2HD LYS 29 1HD LYS 29 -1.892 15.039 3.070 240 1HE LYS 29 2HE LYS 29 -1.622 17.323 4.251 241 2HE LYS 29 1HE LYS 29 -2.217 18.027 2.734 242 1HZ LYS 29 1HZ LYS 29 -3.941 16.070 2.980 243 2HZ LYS 29 2HZ LYS 29 -4.199 17.574 3.728 244 3HZ LYS 29 3HZ LYS 29 -3.592 16.268 4.628 245 H SER 30 H SER 30 2.560 17.138 3.151 246 HA SER 30 HA SER 30 5.222 17.044 1.872 247 1HB SER 30 2HB SER 30 4.452 16.620 4.772 248 2HB SER 30 1HB SER 30 6.006 17.160 4.145 249 HG SER 30 HG SER 30 4.844 18.937 4.867 250 H THR 31 H THR 31 3.471 14.922 1.113 251 HA THR 31 HA THR 31 4.553 12.560 2.595 252 HB THR 31 HB THR 31 2.632 11.700 0.784 253 HG1 THR 31 1HG THR 31 1.841 14.194 1.875 254 1HG2 THR 31 1HG2 THR 31 2.203 12.681 3.619 255 2HG2 THR 31 2HG2 THR 31 2.835 11.096 3.176 256 3HG2 THR 31 3HG2 THR 31 1.180 11.533 2.753 257 H ASP 32 H ASP 32 6.327 13.923 0.866 258 HA ASP 32 HA ASP 32 6.333 12.617 -1.763 259 1HB ASP 32 2HB ASP 32 8.313 13.993 -2.083 260 2HB ASP 32 1HB ASP 32 7.102 14.961 -1.242 261 H VAL 33 H VAL 33 6.800 11.270 1.096 262 HA VAL 33 HA VAL 33 9.397 10.146 1.202 263 HB VAL 33 HB VAL 33 8.280 8.444 2.580 264 1HG1 VAL 33 1HG1 VAL 33 6.618 10.841 3.158 265 2HG1 VAL 33 2HG1 VAL 33 8.363 11.088 3.111 266 3HG1 VAL 33 3HG1 VAL 33 7.668 9.915 4.232 267 1HG2 VAL 33 1HG2 VAL 33 6.313 7.701 1.712 268 2HG2 VAL 33 2HG2 VAL 33 6.022 9.212 0.852 269 3HG2 VAL 33 3HG2 VAL 33 5.600 9.074 2.557 270 H SER 34 H SER 34 8.712 7.328 1.146 271 HA SER 34 HA SER 34 8.117 6.768 -1.713 272 1HB SER 34 2HB SER 34 10.640 5.827 -0.324 273 2HB SER 34 1HB SER 34 10.245 5.674 -2.033 274 HG SER 34 HG SER 34 10.805 7.690 -2.338 275 H PHE 35 H PHE 35 9.137 4.063 -1.513 276 HA PHE 35 HA PHE 35 6.881 2.777 -0.234 277 1HB PHE 35 2HB PHE 35 8.266 2.075 -2.278 278 2HB PHE 35 1HB PHE 35 9.484 1.521 -1.128 279 HD1 PHE 35 1HD PHE 35 6.045 1.008 -2.375 280 HD2 PHE 35 2HD PHE 35 9.104 -0.415 0.285 281 HE1 PHE 35 1HE PHE 35 4.772 -1.093 -2.032 282 HE2 PHE 35 2HE PHE 35 7.831 -2.515 0.627 283 HZ PHE 35 HZ PHE 35 5.664 -2.855 -0.532 284 H SER 36 H SER 36 10.381 2.333 0.414 285 HA SER 36 HA SER 36 10.365 0.926 2.762 286 1HB SER 36 2HB SER 36 12.293 1.969 1.450 287 2HB SER 36 1HB SER 36 12.007 3.441 2.376 288 HG SER 36 HG SER 36 12.368 2.234 4.267 289 H SER 37 H SER 37 9.705 4.427 2.502 290 HA SER 37 HA SER 37 9.414 4.833 5.359 291 1HB SER 37 2HB SER 37 8.585 6.351 2.873 292 2HB SER 37 1HB SER 37 8.345 6.983 4.499 293 HG SER 37 HG SER 37 10.606 6.756 4.815 294 H ILE 38 H ILE 38 6.842 5.405 2.965 295 HA ILE 38 HA ILE 38 4.661 5.051 4.669 296 HB ILE 38 HB ILE 38 5.315 5.330 1.882 297 1HG1 ILE 38 2HG1 ILE 38 3.077 6.413 1.862 298 2HG1 ILE 38 1HG1 ILE 38 2.797 5.790 3.485 299 1HG2 ILE 38 1HG2 ILE 38 3.213 4.242 0.979 300 2HG2 ILE 38 2HG2 ILE 38 3.107 3.354 2.499 301 3HG2 ILE 38 3HG2 ILE 38 4.496 3.121 1.434 302 1HD1 ILE 38 1HD1 ILE 38 5.363 7.165 3.243 303 2HD1 ILE 38 2HD1 ILE 38 4.080 7.387 4.433 304 3HD1 ILE 38 3HD1 ILE 38 3.993 8.214 2.879 305 H SER 39 H SER 39 6.529 2.591 2.921 306 HA SER 39 HA SER 39 4.813 0.360 3.207 307 1HB SER 39 2HB SER 39 6.848 0.324 1.882 308 2HB SER 39 1HB SER 39 7.833 0.633 3.309 309 HG SER 39 HG SER 39 7.077 -1.692 2.334 310 H THR 40 H THR 40 7.730 0.574 5.222 311 HA THR 40 HA THR 40 7.003 -1.059 7.315 312 HB THR 40 HB THR 40 8.476 1.591 7.325 313 HG1 THR 40 1HG THR 40 9.080 -1.081 6.822 314 1HG2 THR 40 1HG2 THR 40 7.840 -0.303 9.506 315 2HG2 THR 40 2HG2 THR 40 8.283 1.401 9.588 316 3HG2 THR 40 3HG2 THR 40 9.534 0.172 9.393 317 H MET 41 H MET 41 6.158 2.405 7.028 318 HA MET 41 HA MET 41 4.886 2.884 9.452 319 1HB MET 41 2HB MET 41 5.097 4.056 6.937 320 2HB MET 41 1HB MET 41 3.359 3.835 7.141 321 1HG MET 41 2HG MET 41 4.513 4.787 9.608 322 2HG MET 41 1HG MET 41 4.972 5.857 8.283 323 1HE MET 41 1HE MET 41 2.660 5.342 6.263 324 2HE MET 41 2HE MET 41 3.312 6.942 6.614 325 3HE MET 41 3HE MET 41 1.568 6.687 6.625 326 H LEU 42 H LEU 42 3.193 1.682 6.521 327 HA LEU 42 HA LEU 42 0.676 1.161 7.578 328 1HB LEU 42 2HB LEU 42 2.433 -0.143 5.522 329 2HB LEU 42 1HB LEU 42 0.871 -0.872 5.895 330 HG LEU 42 HG LEU 42 1.083 2.075 5.307 331 1HD1 LEU 42 1HD1 LEU 42 2.015 1.309 3.314 332 2HD1 LEU 42 2HD1 LEU 42 0.294 1.221 2.936 333 3HD1 LEU 42 3HD1 LEU 42 1.172 -0.238 3.396 334 1HD2 LEU 42 1HD2 LEU 42 -0.978 0.630 6.228 335 2HD2 LEU 42 2HD2 LEU 42 -1.182 0.299 4.507 336 3HD2 LEU 42 3HD2 LEU 42 -1.214 1.961 5.095 337 H LEU 43 H LEU 43 3.234 -1.347 7.341 338 HA LEU 43 HA LEU 43 1.933 -3.268 8.978 339 1HB LEU 43 2HB LEU 43 3.819 -3.732 7.483 340 2HB LEU 43 1HB LEU 43 4.876 -2.725 8.476 341 HG LEU 43 HG LEU 43 3.638 -4.547 10.248 342 1HD1 LEU 43 1HD1 LEU 43 3.403 -6.510 9.164 343 2HD1 LEU 43 2HD1 LEU 43 5.032 -6.387 8.500 344 3HD1 LEU 43 3HD1 LEU 43 3.675 -5.650 7.648 345 1HD2 LEU 43 1HD2 LEU 43 6.415 -4.376 9.034 346 2HD2 LEU 43 2HD2 LEU 43 6.010 -5.428 10.392 347 3HD2 LEU 43 3HD2 LEU 43 5.873 -3.678 10.560 348 H GLU 44 H GLU 44 4.272 -0.708 9.865 349 HA GLU 44 HA GLU 44 4.568 -1.423 12.615 350 1HB GLU 44 2HB GLU 44 5.156 0.778 10.799 351 2HB GLU 44 1HB GLU 44 4.701 1.378 12.393 352 1HG GLU 44 2HG GLU 44 6.575 -0.932 12.336 353 2HG GLU 44 1HG GLU 44 7.221 0.619 11.793 354 H LEU 45 H LEU 45 1.965 -0.049 10.840 355 HA LEU 45 HA LEU 45 0.594 0.949 13.287 356 1HB LEU 45 2HB LEU 45 0.537 1.382 10.351 357 2HB LEU 45 1HB LEU 45 -1.021 1.499 11.169 358 HG LEU 45 HG LEU 45 0.599 2.912 12.874 359 1HD1 LEU 45 1HD1 LEU 45 1.764 4.511 11.196 360 2HD1 LEU 45 2HD1 LEU 45 1.633 3.175 10.051 361 3HD1 LEU 45 3HD1 LEU 45 2.551 2.971 11.544 362 1HD2 LEU 45 1HD2 LEU 45 -1.668 3.429 11.699 363 2HD2 LEU 45 2HD2 LEU 45 -0.678 4.243 10.491 364 3HD2 LEU 45 3HD2 LEU 45 -0.643 4.784 12.169 365 H GLY 46 H GLY 46 0.848 -1.880 11.473 366 1HA GLY 46 2HA GLY 46 -0.387 -3.884 11.689 367 2HA GLY 46 1HA GLY 46 -1.502 -3.039 12.764 368 H LEU 47 H LEU 47 -0.970 -1.310 9.905 369 HA LEU 47 HA LEU 47 -2.181 -1.110 7.873 370 1HB LEU 47 2HB LEU 47 -2.363 -3.796 8.563 371 2HB LEU 47 1HB LEU 47 -4.048 -3.309 8.371 372 HG LEU 47 HG LEU 47 -3.410 -2.268 6.162 373 1HD1 LEU 47 1HD1 LEU 47 -1.168 -1.948 5.950 374 2HD1 LEU 47 2HD1 LEU 47 -1.151 -3.630 5.419 375 3HD1 LEU 47 3HD1 LEU 47 -0.781 -3.231 7.097 376 1HD2 LEU 47 1HD2 LEU 47 -4.319 -4.227 5.497 377 2HD2 LEU 47 2HD2 LEU 47 -3.613 -5.087 6.866 378 3HD2 LEU 47 3HD2 LEU 47 -2.677 -4.859 5.389 379 H ARG 48 H ARG 48 -4.032 -1.873 10.830 380 HA ARG 48 HA ARG 48 -6.455 -0.548 9.945 381 1HB ARG 48 2HB ARG 48 -6.278 -2.354 11.665 382 2HB ARG 48 1HB ARG 48 -5.439 -1.222 12.726 383 1HG ARG 48 2HG ARG 48 -7.965 -0.183 11.628 384 2HG ARG 48 1HG ARG 48 -8.164 -1.590 12.674 385 1HD ARG 48 2HD ARG 48 -6.724 0.993 13.384 386 2HD ARG 48 1HD ARG 48 -8.242 0.394 14.083 387 HE ARG 48 HE ARG 48 -5.683 -0.420 14.972 388 1HH1 ARG 48 1HH1 ARG 48 -8.249 -1.197 16.317 389 2HH1 ARG 48 2HH1 ARG 48 -8.252 -2.918 16.120 390 1HH2 ARG 48 1HH2 ARG 48 -5.836 -2.908 13.633 391 2HH2 ARG 48 2HH2 ARG 48 -6.886 -3.886 14.601 392 H VAL 49 H VAL 49 -4.246 0.354 12.622 393 HA VAL 49 HA VAL 49 -5.068 2.928 13.146 394 HB VAL 49 HB VAL 49 -2.191 2.024 12.811 395 1HG1 VAL 49 1HG1 VAL 49 -1.870 3.556 14.783 396 2HG1 VAL 49 2HG1 VAL 49 -3.539 4.087 14.575 397 3HG1 VAL 49 3HG1 VAL 49 -2.354 4.388 13.305 398 1HG2 VAL 49 1HG2 VAL 49 -3.135 1.770 15.490 399 2HG2 VAL 49 2HG2 VAL 49 -2.595 0.489 14.407 400 3HG2 VAL 49 3HG2 VAL 49 -4.295 0.956 14.440 401 H TYR 50 H TYR 50 -3.319 1.835 10.286 402 HA TYR 50 HA TYR 50 -2.249 4.147 9.199 403 1HB TYR 50 2HB TYR 50 -2.088 2.052 8.061 404 2HB TYR 50 1HB TYR 50 -3.843 1.884 7.976 405 HD1 TYR 50 1HD TYR 50 -4.638 2.121 5.800 406 HD2 TYR 50 2HD TYR 50 -1.419 4.628 7.142 407 HE1 TYR 50 1HE TYR 50 -4.647 3.300 3.619 408 HE2 TYR 50 2HE TYR 50 -1.428 5.808 4.960 409 HH TYR 50 HH TYR 50 -2.133 5.393 2.652 410 H GLU 51 H GLU 51 -5.621 3.085 8.558 411 HA GLU 51 HA GLU 51 -6.517 5.429 7.281 412 1HB GLU 51 2HB GLU 51 -7.458 2.971 7.890 413 2HB GLU 51 1HB GLU 51 -8.337 3.920 9.085 414 1HG GLU 51 2HG GLU 51 -8.365 5.254 6.521 415 2HG GLU 51 1HG GLU 51 -8.975 3.608 6.363 416 H ALA 52 H ALA 52 -5.720 4.920 10.599 417 HA ALA 52 HA ALA 52 -7.491 6.949 11.722 418 1HB ALA 52 1HB ALA 52 -5.890 4.838 12.603 419 2HB ALA 52 2HB ALA 52 -6.772 5.965 13.632 420 3HB ALA 52 3HB ALA 52 -5.082 6.275 13.230 421 H GLN 53 H GLN 53 -4.610 7.093 9.903 422 HA GLN 53 HA GLN 53 -3.598 9.536 11.184 423 1HB GLN 53 2HB GLN 53 -1.713 9.189 9.793 424 2HB GLN 53 1HB GLN 53 -2.265 7.559 10.173 425 1HG GLN 53 2HG GLN 53 -3.645 7.690 8.012 426 2HG GLN 53 1HG GLN 53 -2.684 9.116 7.618 427 1HE2 GLN 53 1HE2 GLN 53 -1.278 8.323 6.004 428 2HE2 GLN 53 2HE2 GLN 53 -0.253 6.985 6.215 429 H MET 54 H MET 54 -6.093 8.921 9.106 430 HA MET 54 HA MET 54 -5.613 11.336 7.411 431 1HB MET 54 2HB MET 54 -7.717 9.155 7.242 432 2HB MET 54 1HB MET 54 -7.357 10.361 6.006 433 1HG MET 54 2HG MET 54 -5.269 9.398 5.498 434 2HG MET 54 1HG MET 54 -5.208 8.507 7.019 435 1HE MET 54 1HE MET 54 -5.273 5.605 4.630 436 2HE MET 54 2HE MET 54 -4.317 6.778 5.533 437 3HE MET 54 3HE MET 54 -4.808 7.137 3.879 438 H GLU 55 H GLU 55 -6.471 11.373 10.319 439 HA GLU 55 HA GLU 55 -9.098 12.780 9.936 440 1HB GLU 55 2HB GLU 55 -9.650 11.982 12.194 441 2HB GLU 55 1HB GLU 55 -9.205 10.616 11.169 442 1HG GLU 55 2HG GLU 55 -7.328 10.168 12.369 443 2HG GLU 55 1HG GLU 55 -6.936 11.877 12.568 444 H ARG 56 H ARG 56 -9.429 14.591 11.489 445 HA ARG 56 HA ARG 56 -7.299 15.602 13.151 446 1HB ARG 56 2HB ARG 56 -6.757 17.537 11.558 447 2HB ARG 56 1HB ARG 56 -6.131 15.956 11.089 448 1HG ARG 56 2HG ARG 56 -8.797 16.240 10.057 449 2HG ARG 56 1HG ARG 56 -7.849 17.653 9.591 450 1HD ARG 56 2HD ARG 56 -6.069 15.565 9.173 451 2HD ARG 56 1HD ARG 56 -7.622 14.888 8.644 452 HE ARG 56 HE ARG 56 -6.688 17.572 7.697 453 1HH1 ARG 56 1HH2 ARG 56 -5.972 14.955 6.212 454 2HH1 ARG 56 2HH2 ARG 56 -7.184 14.957 4.974 455 1HH2 ARG 56 1HH1 ARG 56 -9.143 17.360 6.529 456 2HH2 ARG 56 2HH1 ARG 56 -8.980 16.321 5.153
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