NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632372 | 6hng | 34315 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 5.214 3.602 -0.753 2 H2 LYS 1 H2 LYS 1 4.316 4.315 -1.932 3 H3 LYS 1 H3 LYS 1 5.509 3.254 -2.331 4 HA LYS 1 HA LYS 1 4.353 1.448 -1.315 5 HB2 LYS 1 HB2 LYS 1 2.179 3.526 -0.826 6 HB3 LYS 1 HB3 LYS 1 2.010 1.779 -0.579 7 HG2 LYS 1 HG2 LYS 1 3.834 1.842 1.105 8 HG3 LYS 1 HG3 LYS 1 3.985 3.597 0.878 9 HD2 LYS 1 HD2 LYS 1 1.634 3.904 1.577 10 HD3 LYS 1 HD3 LYS 1 1.478 2.152 1.817 11 HE2 LYS 1 HE2 LYS 1 3.311 2.243 3.500 12 HE3 LYS 1 HE3 LYS 1 3.433 3.993 3.265 13 HZ1 LYS 1 HZ1 LYS 1 2.100 3.447 5.171 14 HZ2 LYS 1 HZ2 LYS 1 1.163 4.186 4.040 15 HZ3 LYS 1 HZ3 LYS 1 1.056 2.563 4.261 16 H LEU 2 H LEU 2 2.730 0.192 -2.485 17 HA LEU 2 HA LEU 2 2.846 0.819 -5.288 18 HB2 LEU 2 HB2 LEU 2 1.332 -1.367 -3.820 19 HB3 LEU 2 HB3 LEU 2 1.663 -1.327 -5.556 20 HG LEU 2 HG LEU 2 3.779 -1.457 -3.364 21 HD11 LEU 2 HD11 LEU 2 4.113 -3.761 -4.173 22 HD12 LEU 2 HD12 LEU 2 2.457 -3.535 -3.580 23 HD13 LEU 2 HD13 LEU 2 2.766 -3.555 -5.328 24 HD21 LEU 2 HD21 LEU 2 3.978 -1.631 -6.406 25 HD22 LEU 2 HD22 LEU 2 4.624 -0.320 -5.383 26 HD23 LEU 2 HD23 LEU 2 5.310 -1.945 -5.268 27 H LEU 3 H LEU 3 0.800 2.181 -3.047 28 HA LEU 3 HA LEU 3 -1.663 2.013 -4.633 29 HB2 LEU 3 HB2 LEU 3 -1.937 2.027 -2.256 30 HB3 LEU 3 HB3 LEU 3 -0.776 3.344 -2.057 31 HG LEU 3 HG LEU 3 -2.290 4.902 -3.187 32 HD11 LEU 3 HD11 LEU 3 -3.575 3.282 -4.579 33 HD12 LEU 3 HD12 LEU 3 -4.272 2.568 -3.106 34 HD13 LEU 3 HD13 LEU 3 -4.658 4.244 -3.551 35 HD21 LEU 3 HD21 LEU 3 -2.314 4.689 -0.742 36 HD22 LEU 3 HD22 LEU 3 -3.944 5.043 -1.354 37 HD23 LEU 3 HD23 LEU 3 -3.532 3.390 -0.853 38 H LYS 4 H LYS 4 0.980 4.327 -3.887 39 HA LYS 4 HA LYS 4 -0.151 6.446 -5.496 40 HB2 LYS 4 HB2 LYS 4 1.407 6.868 -3.637 41 HB3 LYS 4 HB3 LYS 4 2.676 5.944 -4.468 42 HG2 LYS 4 HG2 LYS 4 2.731 7.572 -6.290 43 HG3 LYS 4 HG3 LYS 4 1.368 8.461 -5.574 44 HD2 LYS 4 HD2 LYS 4 2.722 8.933 -3.560 45 HD3 LYS 4 HD3 LYS 4 4.085 8.033 -4.253 46 HE2 LYS 4 HE2 LYS 4 4.162 9.611 -6.160 47 HE3 LYS 4 HE3 LYS 4 2.780 10.497 -5.488 48 HZ1 LYS 4 HZ1 LYS 4 4.128 11.010 -3.569 49 HZ2 LYS 4 HZ2 LYS 4 5.401 10.173 -4.179 50 HZ3 LYS 4 HZ3 LYS 4 4.869 11.535 -4.937 51 H LEU 5 H LEU 5 1.644 3.532 -6.138 52 HA LEU 5 HA LEU 5 2.832 4.312 -8.622 53 HB2 LEU 5 HB2 LEU 5 3.534 2.315 -7.417 54 HB3 LEU 5 HB3 LEU 5 1.907 1.628 -7.531 55 HG LEU 5 HG LEU 5 2.112 1.480 -9.993 56 HD11 LEU 5 HD11 LEU 5 4.348 1.822 -11.029 57 HD12 LEU 5 HD12 LEU 5 3.700 3.338 -10.381 58 HD13 LEU 5 HD13 LEU 5 4.958 2.458 -9.481 59 HD21 LEU 5 HD21 LEU 5 4.428 0.235 -8.456 60 HD22 LEU 5 HD22 LEU 5 2.776 -0.414 -8.561 61 HD23 LEU 5 HD23 LEU 5 3.779 -0.333 -10.018 62 H LEU 6 H LEU 6 -0.475 3.464 -7.684 63 HA LEU 6 HA LEU 6 -1.356 2.843 -10.355 64 HB2 LEU 6 HB2 LEU 6 -2.952 3.794 -7.936 65 HB3 LEU 6 HB3 LEU 6 -3.613 3.023 -9.383 66 HG LEU 6 HG LEU 6 -1.684 1.739 -7.399 67 HD11 LEU 6 HD11 LEU 6 -4.634 1.253 -7.975 68 HD12 LEU 6 HD12 LEU 6 -3.624 0.341 -6.824 69 HD13 LEU 6 HD13 LEU 6 -3.976 2.059 -6.532 70 HD21 LEU 6 HD21 LEU 6 -1.333 0.832 -9.655 71 HD22 LEU 6 HD22 LEU 6 -2.193 -0.356 -8.657 72 HD23 LEU 6 HD23 LEU 6 -3.089 0.609 -9.856 73 H LYS 7 H LYS 7 -0.892 5.821 -8.515 74 HA LYS 7 HA LYS 7 -2.415 7.440 -10.429 75 HB2 LYS 7 HB2 LYS 7 -0.655 8.078 -8.035 76 HB3 LYS 7 HB3 LYS 7 -1.278 9.329 -9.117 77 HG2 LYS 7 HG2 LYS 7 -2.726 9.157 -7.203 78 HG3 LYS 7 HG3 LYS 7 -3.591 8.624 -8.650 79 HD2 LYS 7 HD2 LYS 7 -3.363 6.288 -7.993 80 HD3 LYS 7 HD3 LYS 7 -2.236 6.723 -6.684 81 HE2 LYS 7 HE2 LYS 7 -4.461 6.279 -5.773 82 HE3 LYS 7 HE3 LYS 7 -4.030 7.986 -5.561 83 HZ1 LYS 7 HZ1 LYS 7 -5.772 6.902 -7.682 84 HZ2 LYS 7 HZ2 LYS 7 -6.283 7.702 -6.347 85 HZ3 LYS 7 HZ3 LYS 7 -5.389 8.488 -7.479 86 H LYS 8 H LYS 8 0.920 6.385 -9.931 87 HA LYS 8 HA LYS 8 2.123 8.297 -11.723 88 HB2 LYS 8 HB2 LYS 8 3.358 7.148 -9.954 89 HB3 LYS 8 HB3 LYS 8 3.027 5.575 -10.701 90 HG2 LYS 8 HG2 LYS 8 4.298 6.211 -12.707 91 HG3 LYS 8 HG3 LYS 8 4.597 7.824 -12.021 92 HD2 LYS 8 HD2 LYS 8 5.532 5.190 -10.796 93 HD3 LYS 8 HD3 LYS 8 6.535 6.295 -11.758 94 HE2 LYS 8 HE2 LYS 8 6.112 8.095 -10.095 95 HE3 LYS 8 HE3 LYS 8 5.181 6.954 -9.107 96 HZ1 LYS 8 HZ1 LYS 8 7.161 5.607 -8.905 97 HZ2 LYS 8 HZ2 LYS 8 8.021 6.657 -9.824 98 HZ3 LYS 8 HZ3 LYS 8 7.442 7.129 -8.357 99 H LEU 9 H LEU 9 0.472 5.203 -12.135 100 HA LEU 9 HA LEU 9 1.331 5.001 -14.951 101 HB2 LEU 9 HB2 LEU 9 -0.448 3.284 -13.183 102 HB3 LEU 9 HB3 LEU 9 -0.027 2.899 -14.866 103 HG LEU 9 HG LEU 9 2.028 3.282 -12.650 104 HD11 LEU 9 HD11 LEU 9 0.874 0.723 -13.844 105 HD12 LEU 9 HD12 LEU 9 2.205 0.812 -12.666 106 HD13 LEU 9 HD13 LEU 9 0.573 1.333 -12.199 107 HD21 LEU 9 HD21 LEU 9 2.216 2.119 -15.461 108 HD22 LEU 9 HD22 LEU 9 2.931 3.655 -14.906 109 HD23 LEU 9 HD23 LEU 9 3.519 2.110 -14.257 110 H LEU 10 H LEU 10 -1.260 6.406 -13.117 111 HA LEU 10 HA LEU 10 -3.334 6.084 -15.105 112 HB2 LEU 10 HB2 LEU 10 -3.875 6.386 -12.788 113 HB3 LEU 10 HB3 LEU 10 -2.982 7.907 -12.694 114 HG LEU 10 HG LEU 10 -5.247 7.688 -14.682 115 HD11 LEU 10 HD11 LEU 10 -5.576 8.131 -11.684 116 HD12 LEU 10 HD12 LEU 10 -6.851 8.325 -12.911 117 HD13 LEU 10 HD13 LEU 10 -6.148 6.720 -12.597 118 HD21 LEU 10 HD21 LEU 10 -3.901 9.795 -14.547 119 HD22 LEU 10 HD22 LEU 10 -5.569 10.054 -14.006 120 HD23 LEU 10 HD23 LEU 10 -4.258 9.893 -12.811 121 H LYS 11 H LYS 11 -0.833 8.554 -14.494 122 HA LYS 11 HA LYS 11 -1.964 10.477 -16.317 123 HB2 LYS 11 HB2 LYS 11 0.218 11.598 -16.101 124 HB3 LYS 11 HB3 LYS 11 -0.458 11.145 -14.529 125 HG2 LYS 11 HG2 LYS 11 1.031 9.190 -14.412 126 HG3 LYS 11 HG3 LYS 11 1.642 9.523 -16.046 127 HD2 LYS 11 HD2 LYS 11 3.225 10.302 -14.348 128 HD3 LYS 11 HD3 LYS 11 2.580 11.671 -15.270 129 HE2 LYS 11 HE2 LYS 11 0.968 12.150 -13.455 130 HE3 LYS 11 HE3 LYS 11 1.583 10.761 -12.536 131 HZ1 LYS 11 HZ1 LYS 11 3.141 13.138 -13.312 132 HZ2 LYS 11 HZ2 LYS 11 2.567 12.823 -11.807 133 HZ3 LYS 11 HZ3 LYS 11 3.720 11.852 -12.459 134 H LEU 12 H LEU 12 -0.484 7.472 -16.900 135 HA LEU 12 HA LEU 12 0.726 8.261 -19.458 136 HB2 LEU 12 HB2 LEU 12 0.284 5.493 -18.279 137 HB3 LEU 12 HB3 LEU 12 1.346 5.917 -19.626 138 HG LEU 12 HG LEU 12 1.690 6.846 -16.739 139 HD11 LEU 12 HD11 LEU 12 3.274 4.860 -18.421 140 HD12 LEU 12 HD12 LEU 12 3.642 5.346 -16.752 141 HD13 LEU 12 HD13 LEU 12 2.159 4.434 -17.099 142 HD21 LEU 12 HD21 LEU 12 3.443 7.228 -19.201 143 HD22 LEU 12 HD22 LEU 12 2.556 8.507 -18.336 144 HD23 LEU 12 HD23 LEU 12 3.899 7.663 -17.534 145 H LEU 13 H LEU 13 -2.416 7.794 -18.426 146 HA LEU 13 HA LEU 13 -3.276 6.974 -21.160 147 HB2 LEU 13 HB2 LEU 13 -3.435 5.019 -19.767 148 HB3 LEU 13 HB3 LEU 13 -4.168 5.944 -18.452 149 HG LEU 13 HG LEU 13 -6.180 6.355 -19.862 150 HD11 LEU 13 HD11 LEU 13 -4.803 4.393 -21.762 151 HD12 LEU 13 HD12 LEU 13 -6.482 4.962 -21.889 152 HD13 LEU 13 HD13 LEU 13 -5.139 6.104 -22.105 153 HD21 LEU 13 HD21 LEU 13 -7.027 4.046 -19.656 154 HD22 LEU 13 HD22 LEU 13 -5.361 3.446 -19.505 155 HD23 LEU 13 HD23 LEU 13 -6.033 4.505 -18.248 156 H LYS 14 H LYS 14 -3.950 8.737 -18.131 157 HA LYS 14 HA LYS 14 -6.272 10.065 -19.405 158 HB2 LYS 14 HB2 LYS 14 -5.167 10.282 -16.579 159 HB3 LYS 14 HB3 LYS 14 -6.688 10.974 -17.166 160 HG2 LYS 14 HG2 LYS 14 -6.012 8.007 -16.973 161 HG3 LYS 14 HG3 LYS 14 -7.101 8.919 -15.908 162 HD2 LYS 14 HD2 LYS 14 -8.572 9.412 -17.860 163 HD3 LYS 14 HD3 LYS 14 -7.508 8.452 -18.898 164 HE2 LYS 14 HE2 LYS 14 -9.410 7.093 -18.232 165 HE3 LYS 14 HE3 LYS 14 -7.939 6.453 -17.482 166 HZ1 LYS 14 HZ1 LYS 14 -8.558 7.568 -15.451 167 HZ2 LYS 14 HZ2 LYS 14 -9.916 8.177 -16.156 168 HZ3 LYS 14 HZ3 LYS 14 -9.764 6.562 -15.935 169 HN1 NH2 15 HN1 NHE 15 -3.020 10.496 -19.583 170 HN2 NH2 15 HN2 NHE 15 -2.969 12.246 -19.671 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 1.740 0.017 -0.207 2 H2 LYS 1 H2 LYS 1 2.955 -0.647 0.684 3 H3 LYS 1 H3 LYS 1 2.127 -1.570 -0.397 4 HA LYS 1 HA LYS 1 3.846 0.717 -1.057 5 HB2 LYS 1 HB2 LYS 1 5.370 -0.928 -2.043 6 HB3 LYS 1 HB3 LYS 1 5.146 -1.235 -0.313 7 HG2 LYS 1 HG2 LYS 1 3.550 -3.046 -0.811 8 HG3 LYS 1 HG3 LYS 1 3.720 -2.731 -2.555 9 HD2 LYS 1 HD2 LYS 1 6.133 -3.262 -2.414 10 HD3 LYS 1 HD3 LYS 1 5.967 -3.562 -0.671 11 HE2 LYS 1 HE2 LYS 1 4.327 -5.365 -1.145 12 HE3 LYS 1 HE3 LYS 1 4.507 -5.069 -2.879 13 HZ1 LYS 1 HZ1 LYS 1 6.652 -5.940 -1.055 14 HZ2 LYS 1 HZ2 LYS 1 5.872 -6.889 -2.142 15 HZ3 LYS 1 HZ3 LYS 1 6.823 -5.656 -2.669 16 H LEU 2 H LEU 2 4.346 0.765 -3.446 17 HA LEU 2 HA LEU 2 3.620 1.114 -5.533 18 HB2 LEU 2 HB2 LEU 2 2.252 -1.577 -5.235 19 HB3 LEU 2 HB3 LEU 2 2.728 -0.797 -6.746 20 HG LEU 2 HG LEU 2 4.646 -1.718 -4.554 21 HD11 LEU 2 HD11 LEU 2 3.557 -3.576 -5.764 22 HD12 LEU 2 HD12 LEU 2 4.040 -2.853 -7.318 23 HD13 LEU 2 HD13 LEU 2 5.278 -3.444 -6.195 24 HD21 LEU 2 HD21 LEU 2 5.549 0.211 -5.803 25 HD22 LEU 2 HD22 LEU 2 6.396 -1.277 -6.260 26 HD23 LEU 2 HD23 LEU 2 5.163 -0.598 -7.345 27 H LEU 3 H LEU 3 1.898 2.231 -3.418 28 HA LEU 3 HA LEU 3 -0.832 2.007 -4.489 29 HB2 LEU 3 HB2 LEU 3 -0.618 2.026 -2.102 30 HB3 LEU 3 HB3 LEU 3 0.520 3.383 -2.150 31 HG LEU 3 HG LEU 3 -1.242 4.869 -2.988 32 HD11 LEU 3 HD11 LEU 3 -3.618 4.131 -2.825 33 HD12 LEU 3 HD12 LEU 3 -2.738 3.186 -4.046 34 HD13 LEU 3 HD13 LEU 3 -3.071 2.479 -2.449 35 HD21 LEU 3 HD21 LEU 3 -1.954 3.395 -0.414 36 HD22 LEU 3 HD22 LEU 3 -0.753 4.698 -0.571 37 HD23 LEU 3 HD23 LEU 3 -2.474 5.036 -0.861 38 H LYS 4 H LYS 4 1.897 4.313 -4.288 39 HA LYS 4 HA LYS 4 0.481 6.428 -5.671 40 HB2 LYS 4 HB2 LYS 4 2.365 6.853 -4.137 41 HB3 LYS 4 HB3 LYS 4 3.451 5.930 -5.196 42 HG2 LYS 4 HG2 LYS 4 3.128 7.554 -7.010 43 HG3 LYS 4 HG3 LYS 4 1.948 8.444 -6.028 44 HD2 LYS 4 HD2 LYS 4 4.892 8.026 -5.334 45 HD3 LYS 4 HD3 LYS 4 4.192 9.507 -6.017 46 HE2 LYS 4 HE2 LYS 4 2.732 9.730 -4.024 47 HE3 LYS 4 HE3 LYS 4 3.473 8.276 -3.326 48 HZ1 LYS 4 HZ1 LYS 4 4.905 10.757 -4.007 49 HZ2 LYS 4 HZ2 LYS 4 4.491 10.274 -2.493 50 HZ3 LYS 4 HZ3 LYS 4 5.583 9.405 -3.364 51 H LEU 5 H LEU 5 2.037 3.479 -6.631 52 HA LEU 5 HA LEU 5 2.802 4.254 -9.270 53 HB2 LEU 5 HB2 LEU 5 3.633 2.212 -8.239 54 HB3 LEU 5 HB3 LEU 5 1.985 1.586 -8.066 55 HG LEU 5 HG LEU 5 1.739 1.482 -10.524 56 HD11 LEU 5 HD11 LEU 5 4.666 2.351 -10.533 57 HD12 LEU 5 HD12 LEU 5 3.762 1.746 -11.945 58 HD13 LEU 5 HD13 LEU 5 3.290 3.277 -11.187 59 HD21 LEU 5 HD21 LEU 5 2.568 -0.467 -9.260 60 HD22 LEU 5 HD22 LEU 5 3.290 -0.390 -10.883 61 HD23 LEU 5 HD23 LEU 5 4.240 0.107 -9.471 62 H LEU 6 H LEU 6 -0.311 3.484 -7.784 63 HA LEU 6 HA LEU 6 -1.668 2.934 -10.266 64 HB2 LEU 6 HB2 LEU 6 -2.782 3.878 -7.594 65 HB3 LEU 6 HB3 LEU 6 -3.704 3.131 -8.907 66 HG LEU 6 HG LEU 6 -1.469 1.786 -7.313 67 HD11 LEU 6 HD11 LEU 6 -4.489 1.382 -7.328 68 HD12 LEU 6 HD12 LEU 6 -3.306 0.429 -6.397 69 HD13 LEU 6 HD13 LEU 6 -3.554 2.151 -6.030 70 HD21 LEU 6 HD21 LEU 6 -2.237 -0.267 -8.471 71 HD22 LEU 6 HD22 LEU 6 -3.358 0.699 -9.454 72 HD23 LEU 6 HD23 LEU 6 -1.595 0.918 -9.620 73 H LYS 7 H LYS 7 -0.769 5.859 -8.525 74 HA LYS 7 HA LYS 7 -2.508 7.573 -10.168 75 HB2 LYS 7 HB2 LYS 7 -0.392 8.072 -8.052 76 HB3 LYS 7 HB3 LYS 7 -1.028 9.378 -9.058 77 HG2 LYS 7 HG2 LYS 7 -2.230 9.311 -6.963 78 HG3 LYS 7 HG3 LYS 7 -3.313 8.915 -8.302 79 HD2 LYS 7 HD2 LYS 7 -3.214 6.533 -7.725 80 HD3 LYS 7 HD3 LYS 7 -1.989 6.866 -6.470 81 HE2 LYS 7 HE2 LYS 7 -3.615 8.298 -5.281 82 HE3 LYS 7 HE3 LYS 7 -4.827 7.976 -6.530 83 HZ1 LYS 7 HZ1 LYS 7 -3.594 5.955 -4.776 84 HZ2 LYS 7 HZ2 LYS 7 -5.118 6.561 -4.626 85 HZ3 LYS 7 HZ3 LYS 7 -4.728 5.653 -5.933 86 H LYS 8 H LYS 8 0.822 6.383 -10.191 87 HA LYS 8 HA LYS 8 1.769 8.254 -12.174 88 HB2 LYS 8 HB2 LYS 8 3.269 7.083 -10.624 89 HB3 LYS 8 HB3 LYS 8 2.769 5.515 -11.276 90 HG2 LYS 8 HG2 LYS 8 3.716 6.090 -13.477 91 HG3 LYS 8 HG3 LYS 8 4.156 7.708 -12.876 92 HD2 LYS 8 HD2 LYS 8 5.645 6.684 -11.191 93 HD3 LYS 8 HD3 LYS 8 5.168 5.064 -11.731 94 HE2 LYS 8 HE2 LYS 8 7.321 5.648 -12.711 95 HE3 LYS 8 HE3 LYS 8 6.092 5.535 -13.981 96 HZ1 LYS 8 HZ1 LYS 8 5.927 7.927 -13.950 97 HZ2 LYS 8 HZ2 LYS 8 7.043 8.036 -12.746 98 HZ3 LYS 8 HZ3 LYS 8 7.481 7.481 -14.228 99 H LEU 9 H LEU 9 0.237 5.045 -12.293 100 HA LEU 9 HA LEU 9 0.579 4.799 -15.177 101 HB2 LEU 9 HB2 LEU 9 -1.140 3.326 -13.135 102 HB3 LEU 9 HB3 LEU 9 -1.037 2.881 -14.846 103 HG LEU 9 HG LEU 9 1.389 3.024 -13.006 104 HD11 LEU 9 HD11 LEU 9 -0.209 1.314 -12.219 105 HD12 LEU 9 HD12 LEU 9 -0.292 0.625 -13.852 106 HD13 LEU 9 HD13 LEU 9 1.231 0.561 -12.933 107 HD21 LEU 9 HD21 LEU 9 1.928 3.214 -15.395 108 HD22 LEU 9 HD22 LEU 9 2.417 1.623 -14.780 109 HD23 LEU 9 HD23 LEU 9 0.940 1.774 -15.752 110 H LEU 10 H LEU 10 -1.704 6.391 -13.043 111 HA LEU 10 HA LEU 10 -3.893 6.402 -14.925 112 HB2 LEU 10 HB2 LEU 10 -4.250 6.646 -12.546 113 HB3 LEU 10 HB3 LEU 10 -3.264 8.111 -12.480 114 HG LEU 10 HG LEU 10 -5.714 7.985 -14.257 115 HD11 LEU 10 HD11 LEU 10 -6.396 7.245 -12.011 116 HD12 LEU 10 HD12 LEU 10 -5.616 8.677 -11.296 117 HD13 LEU 10 HD13 LEU 10 -7.026 8.866 -12.368 118 HD21 LEU 10 HD21 LEU 10 -4.327 10.005 -14.539 119 HD22 LEU 10 HD22 LEU 10 -5.793 10.432 -13.661 120 HD23 LEU 10 HD23 LEU 10 -4.265 10.228 -12.770 121 H LYS 11 H LYS 11 -1.327 8.784 -14.052 122 HA LYS 11 HA LYS 11 -2.256 10.698 -16.016 123 HB2 LYS 11 HB2 LYS 11 -0.217 11.917 -15.459 124 HB3 LYS 11 HB3 LYS 11 -1.036 11.366 -13.987 125 HG2 LYS 11 HG2 LYS 11 0.534 9.434 -13.858 126 HG3 LYS 11 HG3 LYS 11 1.382 10.043 -15.291 127 HD2 LYS 11 HD2 LYS 11 1.081 11.505 -12.632 128 HD3 LYS 11 HD3 LYS 11 2.541 10.690 -13.215 129 HE2 LYS 11 HE2 LYS 11 2.619 12.234 -15.155 130 HE3 LYS 11 HE3 LYS 11 1.171 13.063 -14.548 131 HZ1 LYS 11 HZ1 LYS 11 3.747 12.870 -13.136 132 HZ2 LYS 11 HZ2 LYS 11 3.185 14.195 -13.924 133 HZ3 LYS 11 HZ3 LYS 11 2.404 13.655 -12.586 134 H LEU 12 H LEU 12 -0.438 7.781 -16.248 135 HA LEU 12 HA LEU 12 1.011 8.556 -18.665 136 HB2 LEU 12 HB2 LEU 12 1.966 6.946 -17.110 137 HB3 LEU 12 HB3 LEU 12 0.530 5.915 -17.240 138 HG LEU 12 HG LEU 12 1.040 5.505 -19.643 139 HD11 LEU 12 HD11 LEU 12 3.575 7.081 -19.007 140 HD12 LEU 12 HD12 LEU 12 3.276 6.155 -20.498 141 HD13 LEU 12 HD13 LEU 12 2.292 7.584 -20.134 142 HD21 LEU 12 HD21 LEU 12 1.854 3.976 -17.888 143 HD22 LEU 12 HD22 LEU 12 2.993 4.072 -19.250 144 HD23 LEU 12 HD23 LEU 12 3.340 4.945 -17.735 145 H LEU 13 H LEU 13 -2.084 7.063 -17.817 146 HA LEU 13 HA LEU 13 -2.570 6.275 -20.617 147 HB2 LEU 13 HB2 LEU 13 -3.151 4.700 -18.853 148 HB3 LEU 13 HB3 LEU 13 -4.127 5.920 -18.028 149 HG LEU 13 HG LEU 13 -5.690 5.995 -19.959 150 HD11 LEU 13 HD11 LEU 13 -3.969 3.705 -21.016 151 HD12 LEU 13 HD12 LEU 13 -5.537 4.226 -21.691 152 HD13 LEU 13 HD13 LEU 13 -4.139 5.308 -21.760 153 HD21 LEU 13 HD21 LEU 13 -6.104 4.494 -18.053 154 HD22 LEU 13 HD22 LEU 13 -6.691 3.787 -19.577 155 HD23 LEU 13 HD23 LEU 13 -5.169 3.208 -18.858 156 H LYS 14 H LYS 14 -3.784 8.581 -18.153 157 HA LYS 14 HA LYS 14 -5.652 9.736 -20.123 158 HB2 LYS 14 HB2 LYS 14 -5.167 10.377 -17.187 159 HB3 LYS 14 HB3 LYS 14 -6.435 11.081 -18.207 160 HG2 LYS 14 HG2 LYS 14 -7.368 8.799 -18.590 161 HG3 LYS 14 HG3 LYS 14 -6.133 8.129 -17.504 162 HD2 LYS 14 HD2 LYS 14 -6.976 9.588 -15.670 163 HD3 LYS 14 HD3 LYS 14 -8.245 10.201 -16.746 164 HE2 LYS 14 HE2 LYS 14 -7.873 7.286 -15.929 165 HE3 LYS 14 HE3 LYS 14 -9.052 8.405 -15.233 166 HZ1 LYS 14 HZ1 LYS 14 -10.027 7.025 -16.931 167 HZ2 LYS 14 HZ2 LYS 14 -10.061 8.599 -17.393 168 HZ3 LYS 14 HZ3 LYS 14 -8.964 7.569 -18.058 169 HN1 NH2 15 HN1 NHE 15 -2.403 10.078 -19.489 170 HN2 NH2 15 HN2 NHE 15 -2.213 11.769 -19.898 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -0.193 2.298 0.588 2 H2 LYS 1 H2 LYS 1 0.523 1.894 2.011 3 H3 LYS 1 H3 LYS 1 -0.502 0.838 1.276 4 HA LYS 1 HA LYS 1 2.098 1.723 0.238 5 HB2 LYS 1 HB2 LYS 1 2.345 0.253 2.155 6 HB3 LYS 1 HB3 LYS 1 1.241 -0.934 1.437 7 HG2 LYS 1 HG2 LYS 1 2.801 -1.290 -0.444 8 HG3 LYS 1 HG3 LYS 1 3.907 -0.078 0.229 9 HD2 LYS 1 HD2 LYS 1 3.073 -2.663 1.604 10 HD3 LYS 1 HD3 LYS 1 4.600 -2.405 0.739 11 HE2 LYS 1 HE2 LYS 1 5.179 -0.572 2.315 12 HE3 LYS 1 HE3 LYS 1 3.664 -0.848 3.190 13 HZ1 LYS 1 HZ1 LYS 1 5.499 -1.950 4.237 14 HZ2 LYS 1 HZ2 LYS 1 4.422 -3.064 3.685 15 HZ3 LYS 1 HZ3 LYS 1 5.833 -2.807 2.876 16 H LEU 2 H LEU 2 2.678 0.998 -1.797 17 HA LEU 2 HA LEU 2 2.320 0.545 -3.960 18 HB2 LEU 2 HB2 LEU 2 2.550 -1.712 -2.915 19 HB3 LEU 2 HB3 LEU 2 0.793 -1.842 -2.886 20 HG LEU 2 HG LEU 2 0.752 -1.672 -5.391 21 HD11 LEU 2 HD11 LEU 2 3.787 -1.677 -5.085 22 HD12 LEU 2 HD12 LEU 2 2.897 -1.912 -6.609 23 HD13 LEU 2 HD13 LEU 2 2.794 -0.359 -5.755 24 HD21 LEU 2 HD21 LEU 2 0.864 -3.858 -4.249 25 HD22 LEU 2 HD22 LEU 2 1.735 -3.884 -5.797 26 HD23 LEU 2 HD23 LEU 2 2.637 -3.783 -4.268 27 H LEU 3 H LEU 3 0.683 2.555 -3.190 28 HA LEU 3 HA LEU 3 -1.774 2.055 -4.803 29 HB2 LEU 3 HB2 LEU 3 -2.518 2.151 -2.534 30 HB3 LEU 3 HB3 LEU 3 -1.365 3.430 -2.141 31 HG LEU 3 HG LEU 3 -2.582 4.998 -3.599 32 HD11 LEU 3 HD11 LEU 3 -4.897 4.396 -4.321 33 HD12 LEU 3 HD12 LEU 3 -3.677 3.401 -5.142 34 HD13 LEU 3 HD13 LEU 3 -4.613 2.721 -3.788 35 HD21 LEU 3 HD21 LEU 3 -3.040 4.878 -1.182 36 HD22 LEU 3 HD22 LEU 3 -4.522 5.276 -2.078 37 HD23 LEU 3 HD23 LEU 3 -4.276 3.626 -1.466 38 H LYS 4 H LYS 4 0.882 4.235 -3.836 39 HA LYS 4 HA LYS 4 -0.007 6.459 -5.417 40 HB2 LYS 4 HB2 LYS 4 1.607 6.708 -3.585 41 HB3 LYS 4 HB3 LYS 4 2.731 5.606 -4.387 42 HG2 LYS 4 HG2 LYS 4 3.454 7.913 -4.672 43 HG3 LYS 4 HG3 LYS 4 3.023 7.215 -6.240 44 HD2 LYS 4 HD2 LYS 4 0.824 8.356 -6.157 45 HD3 LYS 4 HD3 LYS 4 1.223 9.000 -4.544 46 HE2 LYS 4 HE2 LYS 4 3.194 10.162 -5.514 47 HE3 LYS 4 HE3 LYS 4 2.774 9.543 -7.116 48 HZ1 LYS 4 HZ1 LYS 4 1.973 11.776 -6.788 49 HZ2 LYS 4 HZ2 LYS 4 0.702 10.752 -6.970 50 HZ3 LYS 4 HZ3 LYS 4 1.097 11.320 -5.474 51 H LEU 5 H LEU 5 1.669 3.466 -6.180 52 HA LEU 5 HA LEU 5 2.814 4.279 -8.662 53 HB2 LEU 5 HB2 LEU 5 3.493 2.242 -7.519 54 HB3 LEU 5 HB3 LEU 5 1.848 1.600 -7.589 55 HG LEU 5 HG LEU 5 1.976 1.494 -10.067 56 HD11 LEU 5 HD11 LEU 5 4.876 2.332 -9.615 57 HD12 LEU 5 HD12 LEU 5 4.201 1.755 -11.152 58 HD13 LEU 5 HD13 LEU 5 3.634 3.290 -10.462 59 HD21 LEU 5 HD21 LEU 5 4.262 0.110 -8.603 60 HD22 LEU 5 HD22 LEU 5 2.570 -0.446 -8.683 61 HD23 LEU 5 HD23 LEU 5 3.562 -0.394 -10.155 62 H LEU 6 H LEU 6 -0.492 3.501 -7.682 63 HA LEU 6 HA LEU 6 -1.372 2.865 -10.368 64 HB2 LEU 6 HB2 LEU 6 -3.006 3.657 -7.925 65 HB3 LEU 6 HB3 LEU 6 -3.610 2.881 -9.395 66 HG LEU 6 HG LEU 6 -1.626 1.669 -7.412 67 HD11 LEU 6 HD11 LEU 6 -4.507 0.968 -8.106 68 HD12 LEU 6 HD12 LEU 6 -3.463 0.101 -6.959 69 HD13 LEU 6 HD13 LEU 6 -3.970 1.771 -6.612 70 HD21 LEU 6 HD21 LEU 6 -2.867 0.516 -9.951 71 HD22 LEU 6 HD22 LEU 6 -1.142 0.888 -9.701 72 HD23 LEU 6 HD23 LEU 6 -1.915 -0.398 -8.760 73 H LYS 7 H LYS 7 -0.905 5.807 -8.523 74 HA LYS 7 HA LYS 7 -2.462 7.437 -10.427 75 HB2 LYS 7 HB2 LYS 7 -0.795 8.078 -7.968 76 HB3 LYS 7 HB3 LYS 7 -1.430 9.316 -9.054 77 HG2 LYS 7 HG2 LYS 7 -2.935 9.115 -7.218 78 HG3 LYS 7 HG3 LYS 7 -3.746 8.491 -8.660 79 HD2 LYS 7 HD2 LYS 7 -3.327 6.175 -7.925 80 HD3 LYS 7 HD3 LYS 7 -2.418 6.767 -6.518 81 HE2 LYS 7 HE2 LYS 7 -5.355 7.310 -7.112 82 HE3 LYS 7 HE3 LYS 7 -4.746 6.107 -5.975 83 HZ1 LYS 7 HZ1 LYS 7 -4.317 9.016 -5.770 84 HZ2 LYS 7 HZ2 LYS 7 -5.370 8.140 -4.869 85 HZ3 LYS 7 HZ3 LYS 7 -3.754 7.891 -4.711 86 H LYS 8 H LYS 8 0.842 6.363 -9.882 87 HA LYS 8 HA LYS 8 2.089 8.349 -11.575 88 HB2 LYS 8 HB2 LYS 8 3.309 7.166 -9.812 89 HB3 LYS 8 HB3 LYS 8 2.974 5.604 -10.587 90 HG2 LYS 8 HG2 LYS 8 4.304 6.239 -12.546 91 HG3 LYS 8 HG3 LYS 8 4.588 7.853 -11.858 92 HD2 LYS 8 HD2 LYS 8 5.759 6.815 -9.930 93 HD3 LYS 8 HD3 LYS 8 5.458 5.207 -10.624 94 HE2 LYS 8 HE2 LYS 8 6.740 5.841 -12.645 95 HE3 LYS 8 HE3 LYS 8 7.046 7.443 -11.954 96 HZ1 LYS 8 HZ1 LYS 8 8.888 5.956 -11.598 97 HZ2 LYS 8 HZ2 LYS 8 8.228 6.380 -10.157 98 HZ3 LYS 8 HZ3 LYS 8 7.941 4.889 -10.786 99 H LEU 9 H LEU 9 0.498 5.249 -12.117 100 HA LEU 9 HA LEU 9 1.444 5.161 -14.912 101 HB2 LEU 9 HB2 LEU 9 -0.325 3.313 -13.271 102 HB3 LEU 9 HB3 LEU 9 0.171 3.007 -14.946 103 HG LEU 9 HG LEU 9 2.114 3.384 -12.627 104 HD11 LEU 9 HD11 LEU 9 2.404 0.933 -12.741 105 HD12 LEU 9 HD12 LEU 9 0.732 1.366 -12.318 106 HD13 LEU 9 HD13 LEU 9 1.125 0.836 -13.973 107 HD21 LEU 9 HD21 LEU 9 3.725 2.349 -14.200 108 HD22 LEU 9 HD22 LEU 9 2.474 2.358 -15.473 109 HD23 LEU 9 HD23 LEU 9 3.105 3.888 -14.820 110 H LEU 10 H LEU 10 -1.200 6.466 -13.119 111 HA LEU 10 HA LEU 10 -3.292 6.127 -15.063 112 HB2 LEU 10 HB2 LEU 10 -3.829 6.611 -12.773 113 HB3 LEU 10 HB3 LEU 10 -2.791 8.046 -12.766 114 HG LEU 10 HG LEU 10 -4.317 9.167 -14.382 115 HD11 LEU 10 HD11 LEU 10 -5.258 7.214 -15.509 116 HD12 LEU 10 HD12 LEU 10 -5.992 6.656 -13.984 117 HD13 LEU 10 HD13 LEU 10 -6.559 8.156 -14.755 118 HD21 LEU 10 HD21 LEU 10 -4.585 9.485 -11.962 119 HD22 LEU 10 HD22 LEU 10 -6.154 9.521 -12.794 120 HD23 LEU 10 HD23 LEU 10 -5.667 8.070 -11.888 121 H LYS 11 H LYS 11 -0.744 8.595 -14.600 122 HA LYS 11 HA LYS 11 -1.930 10.483 -16.402 123 HB2 LYS 11 HB2 LYS 11 0.234 11.627 -16.259 124 HB3 LYS 11 HB3 LYS 11 -0.293 11.095 -14.655 125 HG2 LYS 11 HG2 LYS 11 1.189 9.092 -14.856 126 HG3 LYS 11 HG3 LYS 11 1.734 9.673 -16.444 127 HD2 LYS 11 HD2 LYS 11 2.560 11.763 -15.376 128 HD3 LYS 11 HD3 LYS 11 2.075 11.125 -13.787 129 HE2 LYS 11 HE2 LYS 11 3.570 9.186 -14.101 130 HE3 LYS 11 HE3 LYS 11 4.056 9.813 -15.690 131 HZ1 LYS 11 HZ1 LYS 11 5.642 10.387 -13.992 132 HZ2 LYS 11 HZ2 LYS 11 4.943 11.750 -14.585 133 HZ3 LYS 11 HZ3 LYS 11 4.496 11.169 -13.113 134 H LEU 12 H LEU 12 -0.441 7.475 -16.992 135 HA LEU 12 HA LEU 12 0.680 8.202 -19.600 136 HB2 LEU 12 HB2 LEU 12 0.258 5.459 -18.366 137 HB3 LEU 12 HB3 LEU 12 1.298 5.850 -19.739 138 HG LEU 12 HG LEU 12 1.699 6.842 -16.878 139 HD11 LEU 12 HD11 LEU 12 2.139 4.441 -17.177 140 HD12 LEU 12 HD12 LEU 12 3.225 4.807 -18.546 141 HD13 LEU 12 HD13 LEU 12 3.646 5.353 -16.905 142 HD21 LEU 12 HD21 LEU 12 2.539 8.467 -18.532 143 HD22 LEU 12 HD22 LEU 12 3.882 7.638 -17.735 144 HD23 LEU 12 HD23 LEU 12 3.406 7.166 -19.386 145 H LEU 13 H LEU 13 -2.444 7.779 -18.492 146 HA LEU 13 HA LEU 13 -3.364 6.957 -21.198 147 HB2 LEU 13 HB2 LEU 13 -3.485 4.961 -19.862 148 HB3 LEU 13 HB3 LEU 13 -4.146 5.857 -18.487 149 HG LEU 13 HG LEU 13 -6.229 6.293 -19.771 150 HD11 LEU 13 HD11 LEU 13 -6.650 4.925 -21.807 151 HD12 LEU 13 HD12 LEU 13 -5.324 6.075 -22.078 152 HD13 LEU 13 HD13 LEU 13 -4.960 4.361 -21.772 153 HD21 LEU 13 HD21 LEU 13 -5.986 4.426 -18.201 154 HD22 LEU 13 HD22 LEU 13 -7.058 3.987 -19.553 155 HD23 LEU 13 HD23 LEU 13 -5.375 3.385 -19.511 156 H LYS 14 H LYS 14 -3.951 8.711 -18.171 157 HA LYS 14 HA LYS 14 -6.087 10.238 -19.582 158 HB2 LYS 14 HB2 LYS 14 -5.644 9.863 -16.593 159 HB3 LYS 14 HB3 LYS 14 -6.920 10.838 -17.332 160 HG2 LYS 14 HG2 LYS 14 -6.582 7.826 -17.654 161 HG3 LYS 14 HG3 LYS 14 -7.762 8.648 -16.608 162 HD2 LYS 14 HD2 LYS 14 -8.769 9.721 -18.612 163 HD3 LYS 14 HD3 LYS 14 -7.645 8.810 -19.646 164 HE2 LYS 14 HE2 LYS 14 -8.532 6.683 -18.741 165 HE3 LYS 14 HE3 LYS 14 -9.655 7.586 -17.710 166 HZ1 LYS 14 HZ1 LYS 14 -10.716 6.846 -19.711 167 HZ2 LYS 14 HZ2 LYS 14 -10.659 8.486 -19.683 168 HZ3 LYS 14 HZ3 LYS 14 -9.626 7.647 -20.651 169 HN1 NH2 15 HN1 NHE 15 -2.936 10.423 -19.303 170 HN2 NH2 15 HN2 NHE 15 -2.707 12.123 -18.966 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 2.657 3.237 -0.785 2 H2 LYS 1 H2 LYS 1 4.049 3.000 0.051 3 H3 LYS 1 H3 LYS 1 3.266 1.718 -0.624 4 HA LYS 1 HA LYS 1 4.516 3.946 -2.074 5 HB2 LYS 1 HB2 LYS 1 6.199 2.503 -1.084 6 HB3 LYS 1 HB3 LYS 1 5.420 1.066 -1.770 7 HG2 LYS 1 HG2 LYS 1 5.859 1.901 -4.061 8 HG3 LYS 1 HG3 LYS 1 6.592 3.376 -3.383 9 HD2 LYS 1 HD2 LYS 1 8.322 1.994 -2.280 10 HD3 LYS 1 HD3 LYS 1 7.578 0.525 -2.939 11 HE2 LYS 1 HE2 LYS 1 7.960 1.383 -5.242 12 HE3 LYS 1 HE3 LYS 1 8.706 2.841 -4.570 13 HZ1 LYS 1 HZ1 LYS 1 9.692 0.091 -4.207 14 HZ2 LYS 1 HZ2 LYS 1 10.353 1.219 -5.203 15 HZ3 LYS 1 HZ3 LYS 1 10.392 1.436 -3.577 16 H LEU 2 H LEU 2 3.213 0.587 -2.568 17 HA LEU 2 HA LEU 2 3.000 1.009 -5.389 18 HB2 LEU 2 HB2 LEU 2 1.712 -1.095 -3.616 19 HB3 LEU 2 HB3 LEU 2 1.865 -1.185 -5.379 20 HG LEU 2 HG LEU 2 4.213 -1.066 -3.430 21 HD11 LEU 2 HD11 LEU 2 3.051 -3.358 -5.069 22 HD12 LEU 2 HD12 LEU 2 4.523 -3.430 -4.072 23 HD13 LEU 2 HD13 LEU 2 2.940 -3.179 -3.301 24 HD21 LEU 2 HD21 LEU 2 4.076 -1.519 -6.439 25 HD22 LEU 2 HD22 LEU 2 4.775 -0.096 -5.627 26 HD23 LEU 2 HD23 LEU 2 5.538 -1.685 -5.441 27 H LEU 3 H LEU 3 1.047 2.402 -3.023 28 HA LEU 3 HA LEU 3 -1.478 2.149 -4.500 29 HB2 LEU 3 HB2 LEU 3 -1.642 2.168 -2.112 30 HB3 LEU 3 HB3 LEU 3 -0.514 3.530 -1.983 31 HG LEU 3 HG LEU 3 -2.133 5.014 -3.066 32 HD11 LEU 3 HD11 LEU 3 -3.438 3.335 -4.363 33 HD12 LEU 3 HD12 LEU 3 -4.025 2.623 -2.841 34 HD13 LEU 3 HD13 LEU 3 -4.499 4.277 -3.296 35 HD21 LEU 3 HD21 LEU 3 -2.025 4.852 -0.620 36 HD22 LEU 3 HD22 LEU 3 -3.687 5.169 -1.157 37 HD23 LEU 3 HD23 LEU 3 -3.215 3.529 -0.637 38 H LYS 4 H LYS 4 1.135 4.525 -3.890 39 HA LYS 4 HA LYS 4 -0.086 6.596 -5.509 40 HB2 LYS 4 HB2 LYS 4 1.515 7.100 -3.719 41 HB3 LYS 4 HB3 LYS 4 2.772 6.152 -4.537 42 HG2 LYS 4 HG2 LYS 4 2.791 7.717 -6.423 43 HG3 LYS 4 HG3 LYS 4 1.431 8.619 -5.717 44 HD2 LYS 4 HD2 LYS 4 2.823 9.181 -3.750 45 HD3 LYS 4 HD3 LYS 4 4.176 8.257 -4.437 46 HE2 LYS 4 HE2 LYS 4 4.180 9.751 -6.413 47 HE3 LYS 4 HE3 LYS 4 2.836 10.676 -5.712 48 HZ1 LYS 4 HZ1 LYS 4 5.503 10.365 -4.505 49 HZ2 LYS 4 HZ2 LYS 4 4.962 11.706 -5.284 50 HZ3 LYS 4 HZ3 LYS 4 4.259 11.238 -3.877 51 H LEU 5 H LEU 5 1.735 3.697 -6.151 52 HA LEU 5 HA LEU 5 2.831 4.457 -8.680 53 HB2 LEU 5 HB2 LEU 5 3.634 2.512 -7.470 54 HB3 LEU 5 HB3 LEU 5 2.016 1.782 -7.497 55 HG LEU 5 HG LEU 5 2.142 1.551 -9.955 56 HD11 LEU 5 HD11 LEU 5 4.973 2.641 -9.579 57 HD12 LEU 5 HD12 LEU 5 4.340 1.914 -11.071 58 HD13 LEU 5 HD13 LEU 5 3.655 3.438 -10.476 59 HD21 LEU 5 HD21 LEU 5 4.552 0.433 -8.464 60 HD22 LEU 5 HD22 LEU 5 2.918 -0.264 -8.474 61 HD23 LEU 5 HD23 LEU 5 3.863 -0.209 -9.975 62 H LEU 6 H LEU 6 -0.421 3.586 -7.641 63 HA LEU 6 HA LEU 6 -1.357 2.794 -10.251 64 HB2 LEU 6 HB2 LEU 6 -2.922 3.899 -7.878 65 HB3 LEU 6 HB3 LEU 6 -3.596 3.001 -9.249 66 HG LEU 6 HG LEU 6 -1.629 1.916 -7.190 67 HD11 LEU 6 HD11 LEU 6 -4.565 1.310 -7.724 68 HD12 LEU 6 HD12 LEU 6 -3.542 0.535 -6.489 69 HD13 LEU 6 HD13 LEU 6 -3.940 2.262 -6.358 70 HD21 LEU 6 HD21 LEU 6 -2.070 -0.274 -8.270 71 HD22 LEU 6 HD22 LEU 6 -3.021 0.541 -9.531 72 HD23 LEU 6 HD23 LEU 6 -1.270 0.841 -9.387 73 H LYS 7 H LYS 7 -0.952 5.878 -8.574 74 HA LYS 7 HA LYS 7 -2.499 7.433 -10.499 75 HB2 LYS 7 HB2 LYS 7 -0.360 8.293 -8.516 76 HB3 LYS 7 HB3 LYS 7 -1.559 9.343 -9.285 77 HG2 LYS 7 HG2 LYS 7 -3.373 8.267 -8.078 78 HG3 LYS 7 HG3 LYS 7 -2.277 7.011 -7.445 79 HD2 LYS 7 HD2 LYS 7 -0.941 8.720 -6.297 80 HD3 LYS 7 HD3 LYS 7 -2.054 9.986 -6.850 81 HE2 LYS 7 HE2 LYS 7 -2.803 7.604 -5.098 82 HE3 LYS 7 HE3 LYS 7 -2.537 9.253 -4.520 83 HZ1 LYS 7 HZ1 LYS 7 -4.864 8.805 -4.840 84 HZ2 LYS 7 HZ2 LYS 7 -4.382 9.961 -5.901 85 HZ3 LYS 7 HZ3 LYS 7 -4.641 8.426 -6.418 86 H LYS 8 H LYS 8 0.908 6.620 -9.902 87 HA LYS 8 HA LYS 8 2.065 8.280 -11.906 88 HB2 LYS 8 HB2 LYS 8 3.339 7.280 -10.072 89 HB3 LYS 8 HB3 LYS 8 2.980 5.649 -10.668 90 HG2 LYS 8 HG2 LYS 8 4.273 6.061 -12.711 91 HG3 LYS 8 HG3 LYS 8 4.542 7.753 -12.226 92 HD2 LYS 8 HD2 LYS 8 5.772 6.994 -10.229 93 HD3 LYS 8 HD3 LYS 8 5.458 5.302 -10.657 94 HE2 LYS 8 HE2 LYS 8 7.723 5.951 -11.337 95 HE3 LYS 8 HE3 LYS 8 6.732 5.591 -12.760 96 HZ1 LYS 8 HZ1 LYS 8 6.419 7.956 -13.054 97 HZ2 LYS 8 HZ2 LYS 8 7.325 8.283 -11.724 98 HZ3 LYS 8 HZ3 LYS 8 8.021 7.588 -13.036 99 H LEU 9 H LEU 9 0.465 5.127 -12.120 100 HA LEU 9 HA LEU 9 1.340 4.808 -14.925 101 HB2 LEU 9 HB2 LEU 9 -0.384 3.123 -13.070 102 HB3 LEU 9 HB3 LEU 9 0.017 2.674 -14.734 103 HG LEU 9 HG LEU 9 2.099 3.198 -12.569 104 HD11 LEU 9 HD11 LEU 9 0.978 0.576 -13.656 105 HD12 LEU 9 HD12 LEU 9 2.320 0.738 -12.494 106 HD13 LEU 9 HD13 LEU 9 0.685 1.248 -12.032 107 HD21 LEU 9 HD21 LEU 9 2.977 3.503 -14.843 108 HD22 LEU 9 HD22 LEU 9 3.597 1.997 -14.153 109 HD23 LEU 9 HD23 LEU 9 2.272 1.934 -15.337 110 H LEU 10 H LEU 10 -1.346 6.146 -13.130 111 HA LEU 10 HA LEU 10 -3.309 5.744 -15.227 112 HB2 LEU 10 HB2 LEU 10 -4.021 5.875 -12.959 113 HB3 LEU 10 HB3 LEU 10 -3.219 7.426 -12.696 114 HG LEU 10 HG LEU 10 -5.315 7.263 -14.852 115 HD11 LEU 10 HD11 LEU 10 -5.890 7.442 -11.865 116 HD12 LEU 10 HD12 LEU 10 -7.074 7.697 -13.166 117 HD13 LEU 10 HD13 LEU 10 -6.332 6.095 -12.940 118 HD21 LEU 10 HD21 LEU 10 -4.588 9.354 -12.739 119 HD22 LEU 10 HD22 LEU 10 -4.078 9.405 -14.441 120 HD23 LEU 10 HD23 LEU 10 -5.796 9.556 -14.028 121 H LYS 11 H LYS 11 -1.004 8.311 -14.353 122 HA LYS 11 HA LYS 11 -2.163 10.288 -16.093 123 HB2 LYS 11 HB2 LYS 11 -0.054 11.504 -15.722 124 HB3 LYS 11 HB3 LYS 11 -0.753 10.899 -14.209 125 HG2 LYS 11 HG2 LYS 11 0.839 9.026 -14.182 126 HG3 LYS 11 HG3 LYS 11 1.485 9.520 -15.756 127 HD2 LYS 11 HD2 LYS 11 2.952 10.269 -13.928 128 HD3 LYS 11 HD3 LYS 11 2.260 11.650 -14.795 129 HE2 LYS 11 HE2 LYS 11 0.550 11.913 -13.027 130 HE3 LYS 11 HE3 LYS 11 1.212 10.507 -12.171 131 HZ1 LYS 11 HZ1 LYS 11 3.277 11.707 -11.941 132 HZ2 LYS 11 HZ2 LYS 11 2.649 13.014 -12.722 133 HZ3 LYS 11 HZ3 LYS 11 2.041 12.555 -11.270 134 H LEU 12 H LEU 12 -0.529 7.408 -16.817 135 HA LEU 12 HA LEU 12 0.791 8.371 -19.236 136 HB2 LEU 12 HB2 LEU 12 0.191 5.527 -18.329 137 HB3 LEU 12 HB3 LEU 12 1.334 6.018 -19.582 138 HG LEU 12 HG LEU 12 1.544 6.708 -16.616 139 HD11 LEU 12 HD11 LEU 12 1.956 4.330 -17.138 140 HD12 LEU 12 HD12 LEU 12 3.148 4.806 -18.372 141 HD13 LEU 12 HD13 LEU 12 3.457 5.159 -16.658 142 HD21 LEU 12 HD21 LEU 12 2.555 8.469 -18.026 143 HD22 LEU 12 HD22 LEU 12 3.806 7.521 -17.211 144 HD23 LEU 12 HD23 LEU 12 3.464 7.231 -18.931 145 H LEU 13 H LEU 13 -2.438 7.679 -18.399 146 HA LEU 13 HA LEU 13 -3.128 7.299 -21.279 147 HB2 LEU 13 HB2 LEU 13 -4.384 5.931 -18.867 148 HB3 LEU 13 HB3 LEU 13 -4.980 5.812 -20.524 149 HG LEU 13 HG LEU 13 -2.212 4.893 -19.617 150 HD11 LEU 13 HD11 LEU 13 -4.741 3.312 -20.217 151 HD12 LEU 13 HD12 LEU 13 -3.140 2.627 -19.838 152 HD13 LEU 13 HD13 LEU 13 -4.023 3.560 -18.609 153 HD21 LEU 13 HD21 LEU 13 -3.768 4.461 -22.215 154 HD22 LEU 13 HD22 LEU 13 -2.330 5.485 -22.029 155 HD23 LEU 13 HD23 LEU 13 -2.200 3.727 -21.812 156 H LYS 14 H LYS 14 -3.687 8.957 -18.267 157 HA LYS 14 HA LYS 14 -6.108 10.245 -19.410 158 HB2 LYS 14 HB2 LYS 14 -5.050 10.224 -16.562 159 HB3 LYS 14 HB3 LYS 14 -6.541 11.003 -17.102 160 HG2 LYS 14 HG2 LYS 14 -5.932 8.015 -17.170 161 HG3 LYS 14 HG3 LYS 14 -7.020 8.836 -16.047 162 HD2 LYS 14 HD2 LYS 14 -7.375 8.583 -19.063 163 HD3 LYS 14 HD3 LYS 14 -8.294 7.728 -17.815 164 HE2 LYS 14 HE2 LYS 14 -8.272 10.747 -18.222 165 HE3 LYS 14 HE3 LYS 14 -9.550 9.644 -18.766 166 HZ1 LYS 14 HZ1 LYS 14 -8.765 10.064 -15.961 167 HZ2 LYS 14 HZ2 LYS 14 -10.104 10.672 -16.696 168 HZ3 LYS 14 HZ3 LYS 14 -9.942 9.048 -16.494 169 HN1 NH2 15 HN1 NHE 15 -2.885 10.727 -19.574 170 HN2 NH2 15 HN2 NHE 15 -2.841 12.473 -19.502 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 5.156 4.680 -3.453 2 H2 LYS 1 H2 LYS 1 6.110 3.376 -3.772 3 H3 LYS 1 H3 LYS 1 6.252 4.162 -2.336 4 HA LYS 1 HA LYS 1 5.095 2.098 -2.065 5 HB2 LYS 1 HB2 LYS 1 4.608 4.011 -0.582 6 HB3 LYS 1 HB3 LYS 1 3.334 4.549 -1.690 7 HG2 LYS 1 HG2 LYS 1 2.122 2.413 -1.327 8 HG3 LYS 1 HG3 LYS 1 3.393 1.872 -0.220 9 HD2 LYS 1 HD2 LYS 1 1.625 4.326 0.149 10 HD3 LYS 1 HD3 LYS 1 1.416 2.776 0.980 11 HE2 LYS 1 HE2 LYS 1 3.848 4.595 1.212 12 HE3 LYS 1 HE3 LYS 1 2.538 4.476 2.390 13 HZ1 LYS 1 HZ1 LYS 1 3.088 2.179 2.723 14 HZ2 LYS 1 HZ2 LYS 1 4.321 2.259 1.636 15 HZ3 LYS 1 HZ3 LYS 1 4.393 3.128 3.030 16 H LEU 2 H LEU 2 3.445 0.666 -2.683 17 HA LEU 2 HA LEU 2 2.891 0.736 -5.466 18 HB2 LEU 2 HB2 LEU 2 1.708 -1.029 -3.294 19 HB3 LEU 2 HB3 LEU 2 1.678 -1.360 -5.030 20 HG LEU 2 HG LEU 2 4.197 -1.145 -3.319 21 HD11 LEU 2 HD11 LEU 2 2.790 -3.530 -4.583 22 HD12 LEU 2 HD12 LEU 2 4.341 -3.580 -3.719 23 HD13 LEU 2 HD13 LEU 2 2.847 -3.162 -2.845 24 HD21 LEU 2 HD21 LEU 2 4.630 -0.465 -5.653 25 HD22 LEU 2 HD22 LEU 2 5.311 -2.074 -5.350 26 HD23 LEU 2 HD23 LEU 2 3.786 -1.919 -6.241 27 H LEU 3 H LEU 3 1.168 2.365 -2.992 28 HA LEU 3 HA LEU 3 -1.464 2.064 -4.281 29 HB2 LEU 3 HB2 LEU 3 -0.644 4.071 -2.151 30 HB3 LEU 3 HB3 LEU 3 -2.278 3.501 -2.537 31 HG LEU 3 HG LEU 3 -0.020 1.841 -1.348 32 HD11 LEU 3 HD11 LEU 3 -2.608 2.888 -0.131 33 HD12 LEU 3 HD12 LEU 3 -1.419 1.852 0.691 34 HD13 LEU 3 HD13 LEU 3 -0.976 3.507 0.212 35 HD21 LEU 3 HD21 LEU 3 -1.526 0.448 -2.729 36 HD22 LEU 3 HD22 LEU 3 -1.783 0.115 -1.006 37 HD23 LEU 3 HD23 LEU 3 -2.940 1.129 -1.888 38 H LYS 4 H LYS 4 1.114 4.506 -3.923 39 HA LYS 4 HA LYS 4 -0.221 6.388 -5.700 40 HB2 LYS 4 HB2 LYS 4 2.585 6.255 -4.528 41 HB3 LYS 4 HB3 LYS 4 2.046 7.540 -5.624 42 HG2 LYS 4 HG2 LYS 4 0.199 8.107 -4.107 43 HG3 LYS 4 HG3 LYS 4 0.717 6.833 -2.980 44 HD2 LYS 4 HD2 LYS 4 2.912 7.972 -2.720 45 HD3 LYS 4 HD3 LYS 4 2.378 9.251 -3.828 46 HE2 LYS 4 HE2 LYS 4 0.513 9.805 -2.296 47 HE3 LYS 4 HE3 LYS 4 1.036 8.523 -1.191 48 HZ1 LYS 4 HZ1 LYS 4 1.848 10.686 -0.527 49 HZ2 LYS 4 HZ2 LYS 4 3.109 9.696 -0.910 50 HZ3 LYS 4 HZ3 LYS 4 2.639 10.878 -1.952 51 H LEU 5 H LEU 5 1.610 3.515 -6.183 52 HA LEU 5 HA LEU 5 2.838 4.202 -8.674 53 HB2 LEU 5 HB2 LEU 5 3.499 2.238 -7.389 54 HB3 LEU 5 HB3 LEU 5 1.863 1.561 -7.515 55 HG LEU 5 HG LEU 5 2.123 1.336 -9.961 56 HD11 LEU 5 HD11 LEU 5 3.738 3.166 -10.389 57 HD12 LEU 5 HD12 LEU 5 4.966 2.309 -9.416 58 HD13 LEU 5 HD13 LEU 5 4.393 1.622 -10.955 59 HD21 LEU 5 HD21 LEU 5 2.726 -0.506 -8.448 60 HD22 LEU 5 HD22 LEU 5 3.773 -0.490 -9.882 61 HD23 LEU 5 HD23 LEU 5 4.390 0.120 -8.331 62 H LEU 6 H LEU 6 -0.476 3.361 -7.747 63 HA LEU 6 HA LEU 6 -1.337 2.732 -10.435 64 HB2 LEU 6 HB2 LEU 6 -2.945 3.620 -8.002 65 HB3 LEU 6 HB3 LEU 6 -3.595 2.866 -9.462 66 HG LEU 6 HG LEU 6 -1.628 1.564 -7.534 67 HD11 LEU 6 HD11 LEU 6 -4.601 1.102 -7.999 68 HD12 LEU 6 HD12 LEU 6 -3.560 0.163 -6.902 69 HD13 LEU 6 HD13 LEU 6 -3.873 1.881 -6.572 70 HD21 LEU 6 HD21 LEU 6 -3.144 0.453 -9.934 71 HD22 LEU 6 HD22 LEU 6 -1.377 0.682 -9.825 72 HD23 LEU 6 HD23 LEU 6 -2.180 -0.514 -8.791 73 H LYS 7 H LYS 7 -1.070 5.684 -8.486 74 HA LYS 7 HA LYS 7 -2.559 7.332 -10.386 75 HB2 LYS 7 HB2 LYS 7 -0.608 8.131 -8.195 76 HB3 LYS 7 HB3 LYS 7 -1.804 9.179 -8.984 77 HG2 LYS 7 HG2 LYS 7 -3.641 7.945 -7.965 78 HG3 LYS 7 HG3 LYS 7 -2.531 6.697 -7.359 79 HD2 LYS 7 HD2 LYS 7 -3.047 8.191 -5.528 80 HD3 LYS 7 HD3 LYS 7 -1.352 8.382 -6.011 81 HE2 LYS 7 HE2 LYS 7 -2.360 10.566 -5.585 82 HE3 LYS 7 HE3 LYS 7 -1.930 10.418 -7.292 83 HZ1 LYS 7 HZ1 LYS 7 -4.621 10.043 -6.153 84 HZ2 LYS 7 HZ2 LYS 7 -4.114 11.363 -6.988 85 HZ3 LYS 7 HZ3 LYS 7 -4.242 9.919 -7.754 86 H LYS 8 H LYS 8 0.844 6.673 -9.568 87 HA LYS 8 HA LYS 8 2.070 8.473 -11.391 88 HB2 LYS 8 HB2 LYS 8 3.246 7.358 -9.564 89 HB3 LYS 8 HB3 LYS 8 2.992 5.776 -10.326 90 HG2 LYS 8 HG2 LYS 8 4.384 6.401 -12.229 91 HG3 LYS 8 HG3 LYS 8 4.550 8.059 -11.593 92 HD2 LYS 8 HD2 LYS 8 5.654 7.137 -9.558 93 HD3 LYS 8 HD3 LYS 8 5.544 5.506 -10.246 94 HE2 LYS 8 HE2 LYS 8 7.018 7.866 -11.494 95 HE3 LYS 8 HE3 LYS 8 7.778 6.551 -10.585 96 HZ1 LYS 8 HZ1 LYS 8 6.979 5.019 -12.248 97 HZ2 LYS 8 HZ2 LYS 8 6.265 6.236 -13.097 98 HZ3 LYS 8 HZ3 LYS 8 7.899 6.186 -12.946 99 H LEU 9 H LEU 9 0.496 5.372 -12.003 100 HA LEU 9 HA LEU 9 1.583 5.359 -14.763 101 HB2 LEU 9 HB2 LEU 9 -0.048 3.344 -13.169 102 HB3 LEU 9 HB3 LEU 9 0.427 3.120 -14.863 103 HG LEU 9 HG LEU 9 2.403 3.552 -12.575 104 HD11 LEU 9 HD11 LEU 9 2.825 1.125 -12.776 105 HD12 LEU 9 HD12 LEU 9 1.151 1.459 -12.285 106 HD13 LEU 9 HD13 LEU 9 1.512 1.002 -13.971 107 HD21 LEU 9 HD21 LEU 9 2.756 2.623 -15.459 108 HD22 LEU 9 HD22 LEU 9 3.290 4.179 -14.792 109 HD23 LEU 9 HD23 LEU 9 4.032 2.665 -14.223 110 H LEU 10 H LEU 10 -1.196 6.496 -13.051 111 HA LEU 10 HA LEU 10 -3.154 5.990 -15.100 112 HB2 LEU 10 HB2 LEU 10 -3.821 6.322 -12.842 113 HB3 LEU 10 HB3 LEU 10 -2.999 7.883 -12.723 114 HG LEU 10 HG LEU 10 -5.154 7.576 -14.805 115 HD11 LEU 10 HD11 LEU 10 -5.658 7.988 -11.824 116 HD12 LEU 10 HD12 LEU 10 -6.863 8.139 -13.125 117 HD13 LEU 10 HD13 LEU 10 -6.130 6.561 -12.777 118 HD21 LEU 10 HD21 LEU 10 -3.891 9.723 -14.596 119 HD22 LEU 10 HD22 LEU 10 -5.587 9.935 -14.127 120 HD23 LEU 10 HD23 LEU 10 -4.334 9.807 -12.879 121 H LYS 11 H LYS 11 -0.710 8.496 -14.599 122 HA LYS 11 HA LYS 11 -1.913 10.444 -16.337 123 HB2 LYS 11 HB2 LYS 11 0.265 11.539 -16.256 124 HB3 LYS 11 HB3 LYS 11 -0.190 10.975 -14.640 125 HG2 LYS 11 HG2 LYS 11 1.265 8.968 -14.949 126 HG3 LYS 11 HG3 LYS 11 1.742 9.580 -16.549 127 HD2 LYS 11 HD2 LYS 11 2.601 11.660 -15.462 128 HD3 LYS 11 HD3 LYS 11 2.194 10.977 -13.873 129 HE2 LYS 11 HE2 LYS 11 3.717 9.072 -14.292 130 HE3 LYS 11 HE3 LYS 11 4.103 9.725 -15.894 131 HZ1 LYS 11 HZ1 LYS 11 5.011 11.665 -14.819 132 HZ2 LYS 11 HZ2 LYS 11 4.652 11.062 -13.333 133 HZ3 LYS 11 HZ3 LYS 11 5.768 10.313 -14.283 134 H LEU 12 H LEU 12 -0.486 7.411 -17.022 135 HA LEU 12 HA LEU 12 0.545 8.162 -19.654 136 HB2 LEU 12 HB2 LEU 12 0.065 5.419 -18.431 137 HB3 LEU 12 HB3 LEU 12 1.056 5.775 -19.853 138 HG LEU 12 HG LEU 12 1.627 6.753 -17.016 139 HD11 LEU 12 HD11 LEU 12 1.936 4.327 -17.290 140 HD12 LEU 12 HD12 LEU 12 2.950 4.607 -18.719 141 HD13 LEU 12 HD13 LEU 12 3.499 5.155 -17.117 142 HD21 LEU 12 HD21 LEU 12 3.811 7.422 -17.989 143 HD22 LEU 12 HD22 LEU 12 3.240 6.947 -19.604 144 HD23 LEU 12 HD23 LEU 12 2.479 8.311 -18.754 145 H LEU 13 H LEU 13 -2.546 7.554 -18.371 146 HA LEU 13 HA LEU 13 -3.586 6.902 -21.089 147 HB2 LEU 13 HB2 LEU 13 -4.562 5.823 -18.415 148 HB3 LEU 13 HB3 LEU 13 -5.334 5.530 -19.978 149 HG LEU 13 HG LEU 13 -2.484 4.690 -19.290 150 HD11 LEU 13 HD11 LEU 13 -5.070 3.085 -19.379 151 HD12 LEU 13 HD12 LEU 13 -3.438 2.418 -19.151 152 HD13 LEU 13 HD13 LEU 13 -4.143 3.489 -17.919 153 HD21 LEU 13 HD21 LEU 13 -2.884 5.011 -21.719 154 HD22 LEU 13 HD22 LEU 13 -2.729 3.291 -21.318 155 HD23 LEU 13 HD23 LEU 13 -4.337 3.990 -21.614 156 H LYS 14 H LYS 14 -3.523 9.114 -18.547 157 HA LYS 14 HA LYS 14 -6.082 10.320 -19.488 158 HB2 LYS 14 HB2 LYS 14 -4.896 10.402 -16.696 159 HB3 LYS 14 HB3 LYS 14 -6.358 11.255 -17.210 160 HG2 LYS 14 HG2 LYS 14 -6.005 8.228 -17.222 161 HG3 LYS 14 HG3 LYS 14 -6.851 9.166 -15.983 162 HD2 LYS 14 HD2 LYS 14 -8.459 9.986 -17.660 163 HD3 LYS 14 HD3 LYS 14 -7.639 9.044 -18.924 164 HE2 LYS 14 HE2 LYS 14 -8.103 6.959 -17.669 165 HE3 LYS 14 HE3 LYS 14 -8.918 7.895 -16.410 166 HZ1 LYS 14 HZ1 LYS 14 -9.740 7.746 -19.231 167 HZ2 LYS 14 HZ2 LYS 14 -10.467 6.962 -17.982 168 HZ3 LYS 14 HZ3 LYS 14 -10.514 8.604 -18.061 169 HN1 NH2 15 HN1 NHE 15 -2.916 10.581 -19.947 170 HN2 NH2 15 HN2 NHE 15 -2.719 12.318 -19.947 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 3.998 3.568 -1.374 2 H2 LYS 1 H2 LYS 1 5.149 2.464 -1.768 3 H3 LYS 1 H3 LYS 1 4.729 2.675 -0.196 4 HA LYS 1 HA LYS 1 3.793 0.662 -1.039 5 HB2 LYS 1 HB2 LYS 1 2.595 1.909 0.707 6 HB3 LYS 1 HB3 LYS 1 1.737 2.842 -0.522 7 HG2 LYS 1 HG2 LYS 1 0.632 0.817 -1.356 8 HG3 LYS 1 HG3 LYS 1 1.577 -0.190 -0.240 9 HD2 LYS 1 HD2 LYS 1 0.552 0.992 1.686 10 HD3 LYS 1 HD3 LYS 1 -0.404 1.988 0.563 11 HE2 LYS 1 HE2 LYS 1 -1.466 -0.060 -0.340 12 HE3 LYS 1 HE3 LYS 1 -0.512 -1.055 0.772 13 HZ1 LYS 1 HZ1 LYS 1 -2.711 -0.631 1.614 14 HZ2 LYS 1 HZ2 LYS 1 -1.599 0.061 2.599 15 HZ3 LYS 1 HZ3 LYS 1 -2.471 0.996 1.568 16 H LEU 2 H LEU 2 2.614 -0.453 -2.621 17 HA LEU 2 HA LEU 2 2.923 0.636 -5.228 18 HB2 LEU 2 HB2 LEU 2 2.401 -1.457 -6.026 19 HB3 LEU 2 HB3 LEU 2 3.129 -1.800 -4.464 20 HG LEU 2 HG LEU 2 0.130 -1.774 -5.082 21 HD11 LEU 2 HD11 LEU 2 2.077 -4.048 -4.532 22 HD12 LEU 2 HD12 LEU 2 0.325 -4.212 -4.802 23 HD13 LEU 2 HD13 LEU 2 1.379 -3.638 -6.116 24 HD21 LEU 2 HD21 LEU 2 1.633 -2.584 -2.555 25 HD22 LEU 2 HD22 LEU 2 0.528 -1.191 -2.720 26 HD23 LEU 2 HD23 LEU 2 -0.095 -2.846 -2.857 27 H LEU 3 H LEU 3 0.603 1.678 -3.202 28 HA LEU 3 HA LEU 3 -1.695 1.473 -5.025 29 HB2 LEU 3 HB2 LEU 3 -2.198 1.256 -2.708 30 HB3 LEU 3 HB3 LEU 3 -1.154 2.624 -2.273 31 HG LEU 3 HG LEU 3 -2.656 4.170 -3.449 32 HD11 LEU 3 HD11 LEU 3 -3.695 2.603 -5.070 33 HD12 LEU 3 HD12 LEU 3 -4.446 1.708 -3.730 34 HD13 LEU 3 HD13 LEU 3 -4.944 3.376 -4.077 35 HD21 LEU 3 HD21 LEU 3 -4.480 4.080 -1.779 36 HD22 LEU 3 HD22 LEU 3 -4.014 2.421 -1.359 37 HD23 LEU 3 HD23 LEU 3 -2.897 3.767 -1.034 38 H LYS 4 H LYS 4 0.751 3.826 -3.886 39 HA LYS 4 HA LYS 4 -0.367 6.038 -5.378 40 HB2 LYS 4 HB2 LYS 4 1.058 6.346 -3.396 41 HB3 LYS 4 HB3 LYS 4 2.407 5.537 -4.218 42 HG2 LYS 4 HG2 LYS 4 2.522 7.325 -5.890 43 HG3 LYS 4 HG3 LYS 4 1.085 8.106 -5.178 44 HD2 LYS 4 HD2 LYS 4 2.307 8.427 -3.058 45 HD3 LYS 4 HD3 LYS 4 3.744 7.647 -3.757 46 HE2 LYS 4 HE2 LYS 4 3.830 9.406 -5.509 47 HE3 LYS 4 HE3 LYS 4 2.400 10.177 -4.809 48 HZ1 LYS 4 HZ1 LYS 4 4.983 9.817 -3.447 49 HZ2 LYS 4 HZ2 LYS 4 4.408 11.225 -4.058 50 HZ3 LYS 4 HZ3 LYS 4 3.648 10.513 -2.786 51 H LEU 5 H LEU 5 1.547 3.252 -6.171 52 HA LEU 5 HA LEU 5 2.860 4.298 -8.496 53 HB2 LEU 5 HB2 LEU 5 3.568 2.211 -7.480 54 HB3 LEU 5 HB3 LEU 5 1.954 1.509 -7.696 55 HG LEU 5 HG LEU 5 2.225 1.578 -10.151 56 HD11 LEU 5 HD11 LEU 5 4.481 2.043 -11.095 57 HD12 LEU 5 HD12 LEU 5 3.784 3.487 -10.342 58 HD13 LEU 5 HD13 LEU 5 5.048 2.554 -9.489 59 HD21 LEU 5 HD21 LEU 5 2.880 -0.417 -8.854 60 HD22 LEU 5 HD22 LEU 5 3.911 -0.202 -10.287 61 HD23 LEU 5 HD23 LEU 5 4.522 0.238 -8.671 62 H LEU 6 H LEU 6 -0.453 3.248 -7.821 63 HA LEU 6 HA LEU 6 -1.173 2.894 -10.602 64 HB2 LEU 6 HB2 LEU 6 -2.946 3.419 -8.182 65 HB3 LEU 6 HB3 LEU 6 -3.458 2.757 -9.743 66 HG LEU 6 HG LEU 6 -1.547 1.434 -7.766 67 HD11 LEU 6 HD11 LEU 6 -4.394 0.760 -8.604 68 HD12 LEU 6 HD12 LEU 6 -3.388 -0.167 -7.463 69 HD13 LEU 6 HD13 LEU 6 -3.912 1.479 -7.049 70 HD21 LEU 6 HD21 LEU 6 -0.984 0.814 -10.088 71 HD22 LEU 6 HD22 LEU 6 -1.775 -0.548 -9.262 72 HD23 LEU 6 HD23 LEU 6 -2.692 0.440 -10.416 73 H LYS 7 H LYS 7 -0.859 5.645 -8.455 74 HA LYS 7 HA LYS 7 -2.460 7.391 -10.207 75 HB2 LYS 7 HB2 LYS 7 -0.864 7.815 -7.657 76 HB3 LYS 7 HB3 LYS 7 -1.479 9.160 -8.613 77 HG2 LYS 7 HG2 LYS 7 -3.042 8.714 -6.850 78 HG3 LYS 7 HG3 LYS 7 -3.794 8.288 -8.396 79 HD2 LYS 7 HD2 LYS 7 -3.396 5.909 -7.981 80 HD3 LYS 7 HD3 LYS 7 -2.511 6.287 -6.486 81 HE2 LYS 7 HE2 LYS 7 -5.444 6.903 -7.043 82 HE3 LYS 7 HE3 LYS 7 -4.838 5.556 -6.061 83 HZ1 LYS 7 HZ1 LYS 7 -3.867 7.159 -4.567 84 HZ2 LYS 7 HZ2 LYS 7 -4.446 8.411 -5.467 85 HZ3 LYS 7 HZ3 LYS 7 -5.491 7.403 -4.712 86 H LYS 8 H LYS 8 0.908 6.430 -9.752 87 HA LYS 8 HA LYS 8 1.968 8.643 -11.322 88 HB2 LYS 8 HB2 LYS 8 3.281 7.549 -9.568 89 HB3 LYS 8 HB3 LYS 8 3.183 6.003 -10.428 90 HG2 LYS 8 HG2 LYS 8 4.486 6.876 -12.283 91 HG3 LYS 8 HG3 LYS 8 4.388 8.522 -11.626 92 HD2 LYS 8 HD2 LYS 8 6.595 7.546 -11.169 93 HD3 LYS 8 HD3 LYS 8 5.712 7.835 -9.660 94 HE2 LYS 8 HE2 LYS 8 5.054 5.458 -9.573 95 HE3 LYS 8 HE3 LYS 8 5.901 5.161 -11.103 96 HZ1 LYS 8 HZ1 LYS 8 7.941 5.800 -10.027 97 HZ2 LYS 8 HZ2 LYS 8 7.161 6.085 -8.606 98 HZ3 LYS 8 HZ3 LYS 8 7.244 4.560 -9.214 99 H LEU 9 H LEU 9 0.625 5.473 -12.013 100 HA LEU 9 HA LEU 9 1.645 5.534 -14.786 101 HB2 LEU 9 HB2 LEU 9 -0.064 3.545 -13.249 102 HB3 LEU 9 HB3 LEU 9 0.457 3.331 -14.927 103 HG LEU 9 HG LEU 9 2.383 3.699 -12.589 104 HD11 LEU 9 HD11 LEU 9 2.754 1.270 -12.777 105 HD12 LEU 9 HD12 LEU 9 1.066 1.630 -12.352 106 HD13 LEU 9 HD13 LEU 9 1.487 1.161 -14.020 107 HD21 LEU 9 HD21 LEU 9 3.355 4.310 -14.769 108 HD22 LEU 9 HD22 LEU 9 4.040 2.788 -14.187 109 HD23 LEU 9 HD23 LEU 9 2.798 2.763 -15.461 110 H LEU 10 H LEU 10 -1.030 6.794 -13.055 111 HA LEU 10 HA LEU 10 -3.136 6.323 -14.928 112 HB2 LEU 10 HB2 LEU 10 -3.564 6.902 -12.651 113 HB3 LEU 10 HB3 LEU 10 -2.662 8.414 -12.770 114 HG LEU 10 HG LEU 10 -5.017 8.013 -14.610 115 HD11 LEU 10 HD11 LEU 10 -5.182 8.796 -11.671 116 HD12 LEU 10 HD12 LEU 10 -6.515 8.871 -12.842 117 HD13 LEU 10 HD13 LEU 10 -5.815 7.298 -12.390 118 HD21 LEU 10 HD21 LEU 10 -3.906 10.401 -13.047 119 HD22 LEU 10 HD22 LEU 10 -3.630 10.095 -14.773 120 HD23 LEU 10 HD23 LEU 10 -5.264 10.454 -14.193 121 H LYS 11 H LYS 11 -0.504 8.685 -14.821 122 HA LYS 11 HA LYS 11 -1.675 10.569 -16.642 123 HB2 LYS 11 HB2 LYS 11 0.591 11.484 -16.766 124 HB3 LYS 11 HB3 LYS 11 0.168 11.092 -15.086 125 HG2 LYS 11 HG2 LYS 11 1.385 8.887 -15.380 126 HG3 LYS 11 HG3 LYS 11 1.932 9.460 -16.966 127 HD2 LYS 11 HD2 LYS 11 2.489 10.794 -14.288 128 HD3 LYS 11 HD3 LYS 11 3.643 9.835 -15.234 129 HE2 LYS 11 HE2 LYS 11 3.458 11.463 -17.099 130 HE3 LYS 11 HE3 LYS 11 2.327 12.429 -16.144 131 HZ1 LYS 11 HZ1 LYS 11 4.070 12.741 -14.517 132 HZ2 LYS 11 HZ2 LYS 11 5.115 11.832 -15.405 133 HZ3 LYS 11 HZ3 LYS 11 4.568 13.266 -15.990 134 H LEU 12 H LEU 12 -0.529 7.381 -17.153 135 HA LEU 12 HA LEU 12 0.419 7.875 -19.883 136 HB2 LEU 12 HB2 LEU 12 -0.088 5.259 -18.419 137 HB3 LEU 12 HB3 LEU 12 0.827 5.465 -19.916 138 HG LEU 12 HG LEU 12 1.595 6.632 -17.201 139 HD11 LEU 12 HD11 LEU 12 1.802 4.183 -17.307 140 HD12 LEU 12 HD12 LEU 12 2.742 4.314 -18.807 141 HD13 LEU 12 HD13 LEU 12 3.404 4.955 -17.283 142 HD21 LEU 12 HD21 LEU 12 2.416 8.022 -19.067 143 HD22 LEU 12 HD22 LEU 12 3.757 7.131 -18.326 144 HD23 LEU 12 HD23 LEU 12 3.064 6.570 -19.871 145 H LEU 13 H LEU 13 -2.636 7.515 -18.406 146 HA LEU 13 HA LEU 13 -3.811 6.725 -21.025 147 HB2 LEU 13 HB2 LEU 13 -4.643 5.729 -18.265 148 HB3 LEU 13 HB3 LEU 13 -5.511 5.390 -19.767 149 HG LEU 13 HG LEU 13 -2.614 4.573 -19.256 150 HD11 LEU 13 HD11 LEU 13 -3.530 2.313 -18.904 151 HD12 LEU 13 HD12 LEU 13 -4.150 3.447 -17.689 152 HD13 LEU 13 HD13 LEU 13 -5.184 2.955 -19.049 153 HD21 LEU 13 HD21 LEU 13 -3.228 4.753 -21.659 154 HD22 LEU 13 HD22 LEU 13 -3.013 3.062 -21.180 155 HD23 LEU 13 HD23 LEU 13 -4.655 3.738 -21.363 156 H LYS 14 H LYS 14 -3.598 9.061 -18.656 157 HA LYS 14 HA LYS 14 -6.077 10.313 -19.685 158 HB2 LYS 14 HB2 LYS 14 -5.225 10.294 -16.765 159 HB3 LYS 14 HB3 LYS 14 -6.565 11.230 -17.451 160 HG2 LYS 14 HG2 LYS 14 -7.601 9.076 -18.246 161 HG3 LYS 14 HG3 LYS 14 -6.339 8.192 -17.362 162 HD2 LYS 14 HD2 LYS 14 -7.059 9.274 -15.245 163 HD3 LYS 14 HD3 LYS 14 -8.314 10.163 -16.136 164 HE2 LYS 14 HE2 LYS 14 -9.318 8.009 -16.846 165 HE3 LYS 14 HE3 LYS 14 -8.071 7.133 -15.941 166 HZ1 LYS 14 HZ1 LYS 14 -10.052 8.979 -14.782 167 HZ2 LYS 14 HZ2 LYS 14 -10.102 7.342 -14.688 168 HZ3 LYS 14 HZ3 LYS 14 -8.898 8.167 -13.935 169 HN1 NH2 15 HN1 NHE 15 -2.950 10.436 -19.978 170 HN2 NH2 15 HN2 NHE 15 -2.639 12.153 -19.868 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 6.323 1.416 -1.010 2 H2 LYS 1 H2 LYS 1 6.511 0.319 -2.216 3 H3 LYS 1 H3 LYS 1 5.201 0.231 -1.226 4 HA LYS 1 HA LYS 1 4.359 2.307 -2.034 5 HB2 LYS 1 HB2 LYS 1 6.526 3.326 -2.560 6 HB3 LYS 1 HB3 LYS 1 6.788 2.153 -3.862 7 HG2 LYS 1 HG2 LYS 1 4.762 3.020 -5.038 8 HG3 LYS 1 HG3 LYS 1 4.550 4.219 -3.744 9 HD2 LYS 1 HD2 LYS 1 6.966 3.980 -5.589 10 HD3 LYS 1 HD3 LYS 1 5.671 5.183 -5.726 11 HE2 LYS 1 HE2 LYS 1 6.257 6.051 -3.470 12 HE3 LYS 1 HE3 LYS 1 7.573 4.865 -3.359 13 HZ1 LYS 1 HZ1 LYS 1 8.569 5.883 -5.285 14 HZ2 LYS 1 HZ2 LYS 1 7.361 6.986 -5.389 15 HZ3 LYS 1 HZ3 LYS 1 8.365 6.993 -4.088 16 H LEU 2 H LEU 2 2.525 1.618 -2.964 17 HA LEU 2 HA LEU 2 2.680 0.160 -5.506 18 HB2 LEU 2 HB2 LEU 2 2.871 -1.647 -3.883 19 HB3 LEU 2 HB3 LEU 2 1.481 -1.034 -2.982 20 HG LEU 2 HG LEU 2 -0.006 -1.527 -4.896 21 HD11 LEU 2 HD11 LEU 2 2.519 -2.716 -6.127 22 HD12 LEU 2 HD12 LEU 2 0.870 -2.905 -6.769 23 HD13 LEU 2 HD13 LEU 2 1.626 -1.303 -6.748 24 HD21 LEU 2 HD21 LEU 2 0.115 -3.983 -4.712 25 HD22 LEU 2 HD22 LEU 2 1.752 -3.855 -4.035 26 HD23 LEU 2 HD23 LEU 2 0.364 -3.203 -3.132 27 H LEU 3 H LEU 3 0.874 2.025 -3.109 28 HA LEU 3 HA LEU 3 -1.610 1.857 -4.682 29 HB2 LEU 3 HB2 LEU 3 -1.015 3.656 -2.311 30 HB3 LEU 3 HB3 LEU 3 -2.598 3.131 -2.909 31 HG LEU 3 HG LEU 3 -0.469 1.368 -1.631 32 HD11 LEU 3 HD11 LEU 3 -2.084 1.205 0.230 33 HD12 LEU 3 HD12 LEU 3 -1.590 2.888 -0.048 34 HD13 LEU 3 HD13 LEU 3 -3.176 2.327 -0.616 35 HD21 LEU 3 HD21 LEU 3 -3.314 0.712 -2.528 36 HD22 LEU 3 HD22 LEU 3 -1.821 0.115 -3.296 37 HD23 LEU 3 HD23 LEU 3 -2.225 -0.380 -1.641 38 H LYS 4 H LYS 4 0.874 4.276 -3.801 39 HA LYS 4 HA LYS 4 -0.243 6.359 -5.462 40 HB2 LYS 4 HB2 LYS 4 1.235 6.807 -3.554 41 HB3 LYS 4 HB3 LYS 4 2.568 5.948 -4.347 42 HG2 LYS 4 HG2 LYS 4 2.623 7.601 -6.152 43 HG3 LYS 4 HG3 LYS 4 1.208 8.433 -5.469 44 HD2 LYS 4 HD2 LYS 4 3.909 8.104 -4.100 45 HD3 LYS 4 HD3 LYS 4 3.348 9.571 -4.924 46 HE2 LYS 4 HE2 LYS 4 1.434 9.719 -3.338 47 HE3 LYS 4 HE3 LYS 4 2.033 8.280 -2.491 48 HZ1 LYS 4 HZ1 LYS 4 3.488 10.825 -2.789 49 HZ2 LYS 4 HZ2 LYS 4 2.735 10.312 -1.423 50 HZ3 LYS 4 HZ3 LYS 4 4.039 9.495 -1.994 51 H LEU 5 H LEU 5 1.585 3.488 -6.130 52 HA LEU 5 HA LEU 5 2.830 4.357 -8.561 53 HB2 LEU 5 HB2 LEU 5 3.529 2.324 -7.417 54 HB3 LEU 5 HB3 LEU 5 1.901 1.644 -7.561 55 HG LEU 5 HG LEU 5 2.135 1.558 -10.031 56 HD11 LEU 5 HD11 LEU 5 4.979 2.529 -9.484 57 HD12 LEU 5 HD12 LEU 5 4.365 1.935 -11.042 58 HD13 LEU 5 HD13 LEU 5 3.713 3.432 -10.355 59 HD21 LEU 5 HD21 LEU 5 2.785 -0.374 -8.634 60 HD22 LEU 5 HD22 LEU 5 3.806 -0.254 -10.083 61 HD23 LEU 5 HD23 LEU 5 4.436 0.269 -8.506 62 H LEU 6 H LEU 6 -0.473 3.440 -7.701 63 HA LEU 6 HA LEU 6 -1.329 2.864 -10.390 64 HB2 LEU 6 HB2 LEU 6 -2.963 3.766 -7.988 65 HB3 LEU 6 HB3 LEU 6 -3.578 2.955 -9.436 66 HG LEU 6 HG LEU 6 -1.620 1.744 -7.432 67 HD11 LEU 6 HD11 LEU 6 -3.525 0.312 -6.806 68 HD12 LEU 6 HD12 LEU 6 -3.908 2.025 -6.529 69 HD13 LEU 6 HD13 LEU 6 -4.571 1.187 -7.951 70 HD21 LEU 6 HD21 LEU 6 -1.295 0.837 -9.702 71 HD22 LEU 6 HD22 LEU 6 -2.074 -0.366 -8.663 72 HD23 LEU 6 HD23 LEU 6 -3.044 0.540 -9.845 73 H LYS 7 H LYS 7 -0.894 5.808 -8.496 74 HA LYS 7 HA LYS 7 -2.411 7.469 -10.386 75 HB2 LYS 7 HB2 LYS 7 -0.726 8.025 -7.925 76 HB3 LYS 7 HB3 LYS 7 -1.303 9.316 -8.987 77 HG2 LYS 7 HG2 LYS 7 -2.804 9.076 -7.113 78 HG3 LYS 7 HG3 LYS 7 -3.632 8.640 -8.616 79 HD2 LYS 7 HD2 LYS 7 -3.471 6.271 -8.092 80 HD3 LYS 7 HD3 LYS 7 -2.418 6.610 -6.696 81 HE2 LYS 7 HE2 LYS 7 -4.691 6.158 -5.950 82 HE3 LYS 7 HE3 LYS 7 -4.253 7.837 -5.602 83 HZ1 LYS 7 HZ1 LYS 7 -5.483 8.505 -7.555 84 HZ2 LYS 7 HZ2 LYS 7 -5.883 6.948 -7.886 85 HZ3 LYS 7 HZ3 LYS 7 -6.449 7.671 -6.520 86 H LYS 8 H LYS 8 0.892 6.371 -9.891 87 HA LYS 8 HA LYS 8 2.100 8.356 -11.631 88 HB2 LYS 8 HB2 LYS 8 3.351 7.248 -9.843 89 HB3 LYS 8 HB3 LYS 8 3.067 5.662 -10.587 90 HG2 LYS 8 HG2 LYS 8 4.378 6.293 -12.552 91 HG3 LYS 8 HG3 LYS 8 4.582 7.946 -11.920 92 HD2 LYS 8 HD2 LYS 8 5.769 7.033 -9.938 93 HD3 LYS 8 HD3 LYS 8 5.605 5.399 -10.594 94 HE2 LYS 8 HE2 LYS 8 7.062 7.715 -11.939 95 HE3 LYS 8 HE3 LYS 8 7.838 6.393 -11.055 96 HZ1 LYS 8 HZ1 LYS 8 6.210 6.083 -13.489 97 HZ2 LYS 8 HZ2 LYS 8 7.850 5.992 -13.403 98 HZ3 LYS 8 HZ3 LYS 8 6.930 4.860 -12.659 99 H LEU 9 H LEU 9 0.501 5.259 -12.080 100 HA LEU 9 HA LEU 9 1.424 5.090 -14.886 101 HB2 LEU 9 HB2 LEU 9 -0.308 3.288 -13.147 102 HB3 LEU 9 HB3 LEU 9 0.131 2.939 -14.827 103 HG LEU 9 HG LEU 9 2.157 3.360 -12.588 104 HD11 LEU 9 HD11 LEU 9 1.107 0.787 -13.845 105 HD12 LEU 9 HD12 LEU 9 2.422 0.904 -12.655 106 HD13 LEU 9 HD13 LEU 9 0.769 1.351 -12.192 107 HD21 LEU 9 HD21 LEU 9 3.086 3.806 -14.815 108 HD22 LEU 9 HD22 LEU 9 3.708 2.271 -14.195 109 HD23 LEU 9 HD23 LEU 9 2.416 2.271 -15.416 110 H LEU 10 H LEU 10 -1.171 6.472 -13.092 111 HA LEU 10 HA LEU 10 -3.300 6.070 -14.987 112 HB2 LEU 10 HB2 LEU 10 -3.807 6.622 -12.698 113 HB3 LEU 10 HB3 LEU 10 -2.759 8.050 -12.751 114 HG LEU 10 HG LEU 10 -4.287 9.120 -14.386 115 HD11 LEU 10 HD11 LEU 10 -6.018 6.666 -13.847 116 HD12 LEU 10 HD12 LEU 10 -6.551 8.139 -14.695 117 HD13 LEU 10 HD13 LEU 10 -5.290 7.116 -15.408 118 HD21 LEU 10 HD21 LEU 10 -6.097 9.565 -12.784 119 HD22 LEU 10 HD22 LEU 10 -5.609 8.150 -11.824 120 HD23 LEU 10 HD23 LEU 10 -4.509 9.543 -11.985 121 H LYS 11 H LYS 11 -0.760 8.547 -14.600 122 HA LYS 11 HA LYS 11 -1.980 10.421 -16.390 123 HB2 LYS 11 HB2 LYS 11 0.183 11.579 -16.274 124 HB3 LYS 11 HB3 LYS 11 -0.340 11.051 -14.665 125 HG2 LYS 11 HG2 LYS 11 1.157 9.076 -14.830 126 HG3 LYS 11 HG3 LYS 11 1.695 9.626 -16.437 127 HD2 LYS 11 HD2 LYS 11 2.507 11.747 -15.418 128 HD3 LYS 11 HD3 LYS 11 2.016 11.148 -13.815 129 HE2 LYS 11 HE2 LYS 11 3.550 9.234 -14.062 130 HE3 LYS 11 HE3 LYS 11 4.028 9.812 -15.668 131 HZ1 LYS 11 HZ1 LYS 11 4.437 11.275 -13.145 132 HZ2 LYS 11 HZ2 LYS 11 5.599 10.494 -14.004 133 HZ3 LYS 11 HZ3 LYS 11 4.856 11.811 -14.642 134 H LEU 12 H LEU 12 -0.538 7.416 -17.027 135 HA LEU 12 HA LEU 12 0.714 8.148 -19.558 136 HB2 LEU 12 HB2 LEU 12 -0.018 5.412 -18.443 137 HB3 LEU 12 HB3 LEU 12 1.103 5.748 -19.773 138 HG LEU 12 HG LEU 12 1.491 6.606 -16.872 139 HD11 LEU 12 HD11 LEU 12 3.301 4.926 -16.908 140 HD12 LEU 12 HD12 LEU 12 1.724 4.170 -17.228 141 HD13 LEU 12 HD13 LEU 12 2.855 4.472 -18.568 142 HD21 LEU 12 HD21 LEU 12 2.553 8.186 -18.451 143 HD22 LEU 12 HD22 LEU 12 3.775 7.204 -17.630 144 HD23 LEU 12 HD23 LEU 12 3.312 6.823 -19.310 145 H LEU 13 H LEU 13 -2.521 7.564 -18.546 146 HA LEU 13 HA LEU 13 -3.322 7.262 -21.395 147 HB2 LEU 13 HB2 LEU 13 -4.415 5.719 -19.008 148 HB3 LEU 13 HB3 LEU 13 -5.129 5.694 -20.627 149 HG LEU 13 HG LEU 13 -2.285 4.777 -20.002 150 HD11 LEU 13 HD11 LEU 13 -3.201 2.503 -20.271 151 HD12 LEU 13 HD12 LEU 13 -3.968 3.340 -18.911 152 HD13 LEU 13 HD13 LEU 13 -4.837 3.182 -20.457 153 HD21 LEU 13 HD21 LEU 13 -2.632 5.493 -22.358 154 HD22 LEU 13 HD22 LEU 13 -2.463 3.730 -22.246 155 HD23 LEU 13 HD23 LEU 13 -4.072 4.460 -22.460 156 H LYS 14 H LYS 14 -3.725 8.844 -18.370 157 HA LYS 14 HA LYS 14 -6.061 10.314 -19.499 158 HB2 LYS 14 HB2 LYS 14 -5.518 9.613 -16.589 159 HB3 LYS 14 HB3 LYS 14 -6.819 10.662 -17.151 160 HG2 LYS 14 HG2 LYS 14 -6.488 7.717 -17.873 161 HG3 LYS 14 HG3 LYS 14 -7.601 8.366 -16.664 162 HD2 LYS 14 HD2 LYS 14 -7.699 8.950 -19.650 163 HD3 LYS 14 HD3 LYS 14 -8.775 7.871 -18.751 164 HE2 LYS 14 HE2 LYS 14 -9.525 9.799 -17.364 165 HE3 LYS 14 HE3 LYS 14 -8.488 10.875 -18.315 166 HZ1 LYS 14 HZ1 LYS 14 -10.731 9.274 -19.356 167 HZ2 LYS 14 HZ2 LYS 14 -10.732 10.902 -19.104 168 HZ3 LYS 14 HZ3 LYS 14 -9.762 10.247 -20.258 169 HN1 NH2 15 HN1 NHE 15 -2.923 10.585 -19.300 170 HN2 NH2 15 HN2 NHE 15 -2.748 12.255 -18.795 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -0.903 0.266 1.125 2 H2 LYS 1 H2 LYS 1 -1.098 1.836 0.685 3 H3 LYS 1 H3 LYS 1 -0.287 1.467 2.069 4 HA LYS 1 HA LYS 1 1.235 2.114 0.347 5 HB2 LYS 1 HB2 LYS 1 2.738 0.179 0.469 6 HB3 LYS 1 HB3 LYS 1 1.993 0.500 2.038 7 HG2 LYS 1 HG2 LYS 1 0.367 -1.324 1.670 8 HG3 LYS 1 HG3 LYS 1 1.055 -1.628 0.061 9 HD2 LYS 1 HD2 LYS 1 3.234 -2.175 1.084 10 HD3 LYS 1 HD3 LYS 1 2.564 -1.848 2.699 11 HE2 LYS 1 HE2 LYS 1 0.890 -3.644 2.364 12 HE3 LYS 1 HE3 LYS 1 1.553 -3.971 0.755 13 HZ1 LYS 1 HZ1 LYS 1 2.429 -5.473 2.399 14 HZ2 LYS 1 HZ2 LYS 1 3.646 -4.534 1.806 15 HZ3 LYS 1 HZ3 LYS 1 3.029 -4.230 3.293 16 H LEU 2 H LEU 2 2.381 1.326 -1.631 17 HA LEU 2 HA LEU 2 2.341 0.952 -3.850 18 HB2 LEU 2 HB2 LEU 2 0.643 -1.452 -3.121 19 HB3 LEU 2 HB3 LEU 2 1.615 -1.249 -4.585 20 HG LEU 2 HG LEU 2 2.723 -1.346 -1.741 21 HD11 LEU 2 HD11 LEU 2 2.739 -3.411 -3.979 22 HD12 LEU 2 HD12 LEU 2 3.549 -3.572 -2.398 23 HD13 LEU 2 HD13 LEU 2 1.776 -3.500 -2.483 24 HD21 LEU 2 HD21 LEU 2 4.166 -0.042 -3.265 25 HD22 LEU 2 HD22 LEU 2 4.906 -1.602 -2.900 26 HD23 LEU 2 HD23 LEU 2 4.096 -1.358 -4.468 27 H LEU 3 H LEU 3 0.203 2.740 -2.853 28 HA LEU 3 HA LEU 3 -1.951 2.219 -4.834 29 HB2 LEU 3 HB2 LEU 3 -2.792 2.419 -2.609 30 HB3 LEU 3 HB3 LEU 3 -1.729 3.784 -2.249 31 HG LEU 3 HG LEU 3 -2.933 5.187 -3.865 32 HD11 LEU 3 HD11 LEU 3 -3.836 3.452 -5.376 33 HD12 LEU 3 HD12 LEU 3 -4.815 2.782 -4.051 34 HD13 LEU 3 HD13 LEU 3 -5.170 4.402 -4.686 35 HD21 LEU 3 HD21 LEU 3 -4.686 3.851 -1.762 36 HD22 LEU 3 HD22 LEU 3 -3.553 5.197 -1.487 37 HD23 LEU 3 HD23 LEU 3 -4.989 5.438 -2.506 38 H LYS 4 H LYS 4 0.504 4.591 -3.723 39 HA LYS 4 HA LYS 4 -0.224 6.642 -5.580 40 HB2 LYS 4 HB2 LYS 4 1.169 7.070 -3.609 41 HB3 LYS 4 HB3 LYS 4 2.394 5.938 -4.191 42 HG2 LYS 4 HG2 LYS 4 3.099 8.233 -4.571 43 HG3 LYS 4 HG3 LYS 4 2.878 7.407 -6.117 44 HD2 LYS 4 HD2 LYS 4 0.664 8.496 -6.398 45 HD3 LYS 4 HD3 LYS 4 0.854 9.283 -4.813 46 HE2 LYS 4 HE2 LYS 4 2.915 10.408 -5.643 47 HE3 LYS 4 HE3 LYS 4 2.704 9.625 -7.213 48 HZ1 LYS 4 HZ1 LYS 4 0.610 10.782 -7.438 49 HZ2 LYS 4 HZ2 LYS 4 0.807 11.519 -5.982 50 HZ3 LYS 4 HZ3 LYS 4 1.838 11.853 -7.214 51 H LEU 5 H LEU 5 1.510 3.621 -5.896 52 HA LEU 5 HA LEU 5 2.929 4.266 -8.335 53 HB2 LEU 5 HB2 LEU 5 2.154 1.721 -6.882 54 HB3 LEU 5 HB3 LEU 5 2.865 1.672 -8.503 55 HG LEU 5 HG LEU 5 4.836 2.935 -7.708 56 HD11 LEU 5 HD11 LEU 5 5.223 3.087 -5.236 57 HD12 LEU 5 HD12 LEU 5 3.937 4.154 -5.796 58 HD13 LEU 5 HD13 LEU 5 3.532 2.625 -4.962 59 HD21 LEU 5 HD21 LEU 5 5.796 1.077 -6.391 60 HD22 LEU 5 HD22 LEU 5 4.165 0.426 -6.115 61 HD23 LEU 5 HD23 LEU 5 4.840 0.474 -7.760 62 H LEU 6 H LEU 6 -0.419 3.580 -7.604 63 HA LEU 6 HA LEU 6 -1.010 2.649 -10.322 64 HB2 LEU 6 HB2 LEU 6 -2.892 3.502 -8.094 65 HB3 LEU 6 HB3 LEU 6 -3.326 2.614 -9.558 66 HG LEU 6 HG LEU 6 -1.500 1.608 -7.332 67 HD11 LEU 6 HD11 LEU 6 -4.289 0.754 -8.214 68 HD12 LEU 6 HD12 LEU 6 -3.321 0.010 -6.918 69 HD13 LEU 6 HD13 LEU 6 -3.902 1.681 -6.743 70 HD21 LEU 6 HD21 LEU 6 -1.614 -0.564 -8.555 71 HD22 LEU 6 HD22 LEU 6 -2.485 0.240 -9.876 72 HD23 LEU 6 HD23 LEU 6 -0.801 0.687 -9.514 73 H LYS 7 H LYS 7 -1.052 5.665 -8.460 74 HA LYS 7 HA LYS 7 -2.478 7.152 -10.537 75 HB2 LYS 7 HB2 LYS 7 -1.020 7.919 -7.989 76 HB3 LYS 7 HB3 LYS 7 -1.573 9.123 -9.151 77 HG2 LYS 7 HG2 LYS 7 -3.247 8.928 -7.458 78 HG3 LYS 7 HG3 LYS 7 -3.902 8.280 -8.963 79 HD2 LYS 7 HD2 LYS 7 -3.498 5.979 -8.175 80 HD3 LYS 7 HD3 LYS 7 -2.751 6.602 -6.686 81 HE2 LYS 7 HE2 LYS 7 -5.627 7.058 -7.578 82 HE3 LYS 7 HE3 LYS 7 -5.098 5.898 -6.346 83 HZ1 LYS 7 HZ1 LYS 7 -5.885 7.930 -5.367 84 HZ2 LYS 7 HZ2 LYS 7 -4.286 7.763 -5.052 85 HZ3 LYS 7 HZ3 LYS 7 -4.794 8.832 -6.199 86 H LYS 8 H LYS 8 0.843 6.283 -9.836 87 HA LYS 8 HA LYS 8 2.091 8.303 -11.462 88 HB2 LYS 8 HB2 LYS 8 3.258 7.099 -9.682 89 HB3 LYS 8 HB3 LYS 8 3.001 5.554 -10.510 90 HG2 LYS 8 HG2 LYS 8 4.401 6.280 -12.388 91 HG3 LYS 8 HG3 LYS 8 4.586 7.888 -11.653 92 HD2 LYS 8 HD2 LYS 8 5.701 6.847 -9.696 93 HD3 LYS 8 HD3 LYS 8 5.512 5.242 -10.443 94 HE2 LYS 8 HE2 LYS 8 6.866 5.995 -12.377 95 HE3 LYS 8 HE3 LYS 8 7.069 7.584 -11.621 96 HZ1 LYS 8 HZ1 LYS 8 8.016 5.030 -10.501 97 HZ2 LYS 8 HZ2 LYS 8 8.952 6.175 -11.211 98 HZ3 LYS 8 HZ3 LYS 8 8.196 6.506 -9.796 99 H LEU 9 H LEU 9 0.433 5.299 -12.189 100 HA LEU 9 HA LEU 9 1.517 5.307 -14.951 101 HB2 LEU 9 HB2 LEU 9 -0.183 3.297 -13.432 102 HB3 LEU 9 HB3 LEU 9 0.370 3.096 -15.099 103 HG LEU 9 HG LEU 9 2.230 3.468 -12.707 104 HD11 LEU 9 HD11 LEU 9 1.427 0.958 -14.241 105 HD12 LEU 9 HD12 LEU 9 2.677 1.046 -12.973 106 HD13 LEU 9 HD13 LEU 9 0.976 1.348 -12.563 107 HD21 LEU 9 HD21 LEU 9 2.730 2.645 -15.598 108 HD22 LEU 9 HD22 LEU 9 3.248 4.165 -14.834 109 HD23 LEU 9 HD23 LEU 9 3.944 2.625 -14.299 110 H LEU 10 H LEU 10 -1.189 6.443 -13.147 111 HA LEU 10 HA LEU 10 -3.228 6.080 -15.137 112 HB2 LEU 10 HB2 LEU 10 -3.777 6.407 -12.829 113 HB3 LEU 10 HB3 LEU 10 -2.898 7.936 -12.748 114 HG LEU 10 HG LEU 10 -5.171 7.701 -14.716 115 HD11 LEU 10 HD11 LEU 10 -5.453 8.132 -11.715 116 HD12 LEU 10 HD12 LEU 10 -6.750 8.337 -12.917 117 HD13 LEU 10 HD13 LEU 10 -6.055 6.730 -12.634 118 HD21 LEU 10 HD21 LEU 10 -5.481 10.075 -14.047 119 HD22 LEU 10 HD22 LEU 10 -4.181 9.916 -12.846 120 HD23 LEU 10 HD23 LEU 10 -3.814 9.810 -14.585 121 H LYS 11 H LYS 11 -0.677 8.496 -14.666 122 HA LYS 11 HA LYS 11 -1.848 10.503 -16.359 123 HB2 LYS 11 HB2 LYS 11 0.368 11.528 -16.270 124 HB3 LYS 11 HB3 LYS 11 -0.100 10.960 -14.659 125 HG2 LYS 11 HG2 LYS 11 1.279 8.915 -15.000 126 HG3 LYS 11 HG3 LYS 11 1.768 9.532 -16.597 127 HD2 LYS 11 HD2 LYS 11 2.713 11.559 -15.486 128 HD3 LYS 11 HD3 LYS 11 2.294 10.859 -13.907 129 HE2 LYS 11 HE2 LYS 11 3.741 8.908 -14.391 130 HE3 LYS 11 HE3 LYS 11 4.137 9.584 -15.983 131 HZ1 LYS 11 HZ1 LYS 11 4.771 10.836 -13.395 132 HZ2 LYS 11 HZ2 LYS 11 5.844 10.073 -14.379 133 HZ3 LYS 11 HZ3 LYS 11 5.123 11.465 -14.866 134 H LEU 12 H LEU 12 -0.546 7.432 -17.098 135 HA LEU 12 HA LEU 12 0.533 8.196 -19.714 136 HB2 LEU 12 HB2 LEU 12 0.014 5.452 -18.519 137 HB3 LEU 12 HB3 LEU 12 1.009 5.811 -19.935 138 HG LEU 12 HG LEU 12 1.586 6.760 -17.090 139 HD11 LEU 12 HD11 LEU 12 2.908 4.622 -18.800 140 HD12 LEU 12 HD12 LEU 12 3.435 5.138 -17.183 141 HD13 LEU 12 HD13 LEU 12 1.862 4.329 -17.389 142 HD21 LEU 12 HD21 LEU 12 3.791 7.410 -18.038 143 HD22 LEU 12 HD22 LEU 12 3.222 6.950 -19.660 144 HD23 LEU 12 HD23 LEU 12 2.474 8.317 -18.799 145 H LEU 13 H LEU 13 -2.591 7.636 -18.463 146 HA LEU 13 HA LEU 13 -3.597 7.083 -21.204 147 HB2 LEU 13 HB2 LEU 13 -4.525 5.783 -18.614 148 HB3 LEU 13 HB3 LEU 13 -5.330 5.598 -20.177 149 HG LEU 13 HG LEU 13 -2.454 4.758 -19.634 150 HD11 LEU 13 HD11 LEU 13 -3.360 2.459 -19.606 151 HD12 LEU 13 HD12 LEU 13 -4.036 3.443 -18.293 152 HD13 LEU 13 HD13 LEU 13 -5.011 3.113 -19.744 153 HD21 LEU 13 HD21 LEU 13 -4.376 4.162 -21.931 154 HD22 LEU 13 HD22 LEU 13 -2.949 5.214 -22.030 155 HD23 LEU 13 HD23 LEU 13 -2.743 3.476 -21.736 156 H LYS 14 H LYS 14 -3.576 9.179 -18.617 157 HA LYS 14 HA LYS 14 -6.055 10.446 -19.627 158 HB2 LYS 14 HB2 LYS 14 -5.337 10.149 -16.689 159 HB3 LYS 14 HB3 LYS 14 -6.676 11.114 -17.345 160 HG2 LYS 14 HG2 LYS 14 -7.624 9.031 -18.365 161 HG3 LYS 14 HG3 LYS 14 -6.337 8.092 -17.588 162 HD2 LYS 14 HD2 LYS 14 -8.352 7.949 -16.254 163 HD3 LYS 14 HD3 LYS 14 -7.131 8.873 -15.358 164 HE2 LYS 14 HE2 LYS 14 -8.205 10.987 -16.053 165 HE3 LYS 14 HE3 LYS 14 -9.400 10.070 -16.995 166 HZ1 LYS 14 HZ1 LYS 14 -10.260 10.694 -14.854 167 HZ2 LYS 14 HZ2 LYS 14 -10.140 9.059 -14.953 168 HZ3 LYS 14 HZ3 LYS 14 -9.040 9.911 -14.080 169 HN1 NH2 15 HN1 NHE 15 -2.942 10.705 -19.778 170 HN2 NH2 15 HN2 NHE 15 -2.692 12.411 -19.467 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 4.483 3.632 -0.647 2 H2 LYS 1 H2 LYS 1 3.813 4.246 0.722 3 H3 LYS 1 H3 LYS 1 3.262 4.725 -0.754 4 HA LYS 1 HA LYS 1 3.051 2.020 0.348 5 HB2 LYS 1 HB2 LYS 1 0.896 4.121 -0.090 6 HB3 LYS 1 HB3 LYS 1 0.605 2.440 0.376 7 HG2 LYS 1 HG2 LYS 1 1.938 2.770 2.441 8 HG3 LYS 1 HG3 LYS 1 2.214 4.472 1.990 9 HD2 LYS 1 HD2 LYS 1 -0.233 4.872 2.025 10 HD3 LYS 1 HD3 LYS 1 -0.503 3.175 2.483 11 HE2 LYS 1 HE2 LYS 1 0.841 3.524 4.537 12 HE3 LYS 1 HE3 LYS 1 1.099 5.214 4.083 13 HZ1 LYS 1 HZ1 LYS 1 -1.520 3.973 4.625 14 HZ2 LYS 1 HZ2 LYS 1 -0.704 4.978 5.633 15 HZ3 LYS 1 HZ3 LYS 1 -1.279 5.542 4.199 16 H LEU 2 H LEU 2 1.794 0.540 -0.940 17 HA LEU 2 HA LEU 2 2.475 0.736 -3.748 18 HB2 LEU 2 HB2 LEU 2 0.894 -1.365 -2.222 19 HB3 LEU 2 HB3 LEU 2 1.537 -1.537 -3.864 20 HG LEU 2 HG LEU 2 3.201 -1.133 -1.338 21 HD11 LEU 2 HD11 LEU 2 3.886 -3.463 -1.713 22 HD12 LEU 2 HD12 LEU 2 2.133 -3.344 -1.461 23 HD13 LEU 2 HD13 LEU 2 2.782 -3.575 -3.104 24 HD21 LEU 2 HD21 LEU 2 5.117 -1.687 -2.817 25 HD22 LEU 2 HD22 LEU 2 4.023 -1.699 -4.221 26 HD23 LEU 2 HD23 LEU 2 4.323 -0.188 -3.331 27 H LEU 3 H LEU 3 0.774 2.852 -3.197 28 HA LEU 3 HA LEU 3 -1.496 2.120 -4.944 29 HB2 LEU 3 HB2 LEU 3 -3.115 3.232 -3.563 30 HB3 LEU 3 HB3 LEU 3 -2.263 2.027 -2.606 31 HG LEU 3 HG LEU 3 -0.729 4.088 -1.908 32 HD11 LEU 3 HD11 LEU 3 -3.380 5.422 -2.649 33 HD12 LEU 3 HD12 LEU 3 -2.073 6.169 -1.709 34 HD13 LEU 3 HD13 LEU 3 -1.810 5.759 -3.410 35 HD21 LEU 3 HD21 LEU 3 -2.132 2.736 -0.397 36 HD22 LEU 3 HD22 LEU 3 -2.241 4.459 0.007 37 HD23 LEU 3 HD23 LEU 3 -3.567 3.675 -0.876 38 H LYS 4 H LYS 4 1.015 4.354 -4.014 39 HA LYS 4 HA LYS 4 -0.083 6.583 -5.525 40 HB2 LYS 4 HB2 LYS 4 1.488 6.943 -3.670 41 HB3 LYS 4 HB3 LYS 4 2.724 5.979 -4.492 42 HG2 LYS 4 HG2 LYS 4 2.837 7.625 -6.320 43 HG3 LYS 4 HG3 LYS 4 1.509 8.553 -5.597 44 HD2 LYS 4 HD2 LYS 4 2.908 8.946 -3.576 45 HD3 LYS 4 HD3 LYS 4 4.228 8.020 -4.313 46 HE2 LYS 4 HE2 LYS 4 4.307 9.626 -6.190 47 HE3 LYS 4 HE3 LYS 4 2.975 10.544 -5.474 48 HZ1 LYS 4 HZ1 LYS 4 5.100 11.508 -4.940 49 HZ2 LYS 4 HZ2 LYS 4 4.368 10.970 -3.569 50 HZ3 LYS 4 HZ3 LYS 4 5.610 10.120 -4.223 51 H LEU 5 H LEU 5 1.816 3.704 -6.228 52 HA LEU 5 HA LEU 5 2.870 4.548 -8.745 53 HB2 LEU 5 HB2 LEU 5 3.718 2.577 -7.604 54 HB3 LEU 5 HB3 LEU 5 2.109 1.837 -7.606 55 HG LEU 5 HG LEU 5 2.168 1.660 -10.072 56 HD11 LEU 5 HD11 LEU 5 3.657 3.579 -10.578 57 HD12 LEU 5 HD12 LEU 5 5.009 2.740 -9.775 58 HD13 LEU 5 HD13 LEU 5 4.300 2.071 -11.260 59 HD21 LEU 5 HD21 LEU 5 4.622 0.531 -8.682 60 HD22 LEU 5 HD22 LEU 5 2.989 -0.183 -8.659 61 HD23 LEU 5 HD23 LEU 5 3.895 -0.082 -10.187 62 H LEU 6 H LEU 6 -0.340 3.555 -7.676 63 HA LEU 6 HA LEU 6 -1.327 2.795 -10.266 64 HB2 LEU 6 HB2 LEU 6 -2.857 3.852 -7.856 65 HB3 LEU 6 HB3 LEU 6 -3.536 2.943 -9.209 66 HG LEU 6 HG LEU 6 -1.451 1.881 -7.245 67 HD11 LEU 6 HD11 LEU 6 -4.426 1.284 -7.544 68 HD12 LEU 6 HD12 LEU 6 -3.311 0.500 -6.401 69 HD13 LEU 6 HD13 LEU 6 -3.685 2.233 -6.238 70 HD21 LEU 6 HD21 LEU 6 -1.264 0.817 -9.464 71 HD22 LEU 6 HD22 LEU 6 -1.983 -0.313 -8.299 72 HD23 LEU 6 HD23 LEU 6 -3.021 0.511 -9.477 73 H LYS 7 H LYS 7 -0.903 5.881 -8.611 74 HA LYS 7 HA LYS 7 -2.531 7.416 -10.493 75 HB2 LYS 7 HB2 LYS 7 -0.361 8.301 -8.549 76 HB3 LYS 7 HB3 LYS 7 -1.604 9.333 -9.276 77 HG2 LYS 7 HG2 LYS 7 -3.359 8.207 -8.035 78 HG3 LYS 7 HG3 LYS 7 -2.219 6.982 -7.431 79 HD2 LYS 7 HD2 LYS 7 -0.891 8.718 -6.320 80 HD3 LYS 7 HD3 LYS 7 -2.036 9.962 -6.857 81 HE2 LYS 7 HE2 LYS 7 -2.702 7.580 -5.059 82 HE3 LYS 7 HE3 LYS 7 -2.470 9.248 -4.507 83 HZ1 LYS 7 HZ1 LYS 7 -4.576 8.342 -6.358 84 HZ2 LYS 7 HZ2 LYS 7 -4.783 8.741 -4.778 85 HZ3 LYS 7 HZ3 LYS 7 -4.345 9.888 -5.862 86 H LYS 8 H LYS 8 0.905 6.634 -9.965 87 HA LYS 8 HA LYS 8 1.918 8.328 -12.048 88 HB2 LYS 8 HB2 LYS 8 3.062 5.870 -10.667 89 HB3 LYS 8 HB3 LYS 8 3.970 6.893 -11.800 90 HG2 LYS 8 HG2 LYS 8 3.623 8.854 -10.387 91 HG3 LYS 8 HG3 LYS 8 2.613 7.917 -9.274 92 HD2 LYS 8 HD2 LYS 8 4.877 8.165 -8.358 93 HD3 LYS 8 HD3 LYS 8 4.538 6.463 -8.716 94 HE2 LYS 8 HE2 LYS 8 5.785 6.676 -10.856 95 HE3 LYS 8 HE3 LYS 8 6.100 8.380 -10.499 96 HZ1 LYS 8 HZ1 LYS 8 7.021 6.091 -8.893 97 HZ2 LYS 8 HZ2 LYS 8 7.955 7.002 -9.890 98 HZ3 LYS 8 HZ3 LYS 8 7.306 7.670 -8.539 99 H LEU 9 H LEU 9 0.403 5.168 -12.135 100 HA LEU 9 HA LEU 9 1.291 4.742 -14.924 101 HB2 LEU 9 HB2 LEU 9 -0.454 3.162 -13.009 102 HB3 LEU 9 HB3 LEU 9 -0.119 2.662 -14.679 103 HG LEU 9 HG LEU 9 2.054 3.154 -12.594 104 HD11 LEU 9 HD11 LEU 9 0.813 0.546 -13.563 105 HD12 LEU 9 HD12 LEU 9 2.198 0.700 -12.454 106 HD13 LEU 9 HD13 LEU 9 0.589 1.263 -11.951 107 HD21 LEU 9 HD21 LEU 9 2.838 3.373 -14.915 108 HD22 LEU 9 HD22 LEU 9 3.443 1.868 -14.201 109 HD23 LEU 9 HD23 LEU 9 2.074 1.818 -15.334 110 H LEU 10 H LEU 10 -1.383 6.110 -13.111 111 HA LEU 10 HA LEU 10 -3.350 5.801 -15.218 112 HB2 LEU 10 HB2 LEU 10 -4.063 5.923 -12.949 113 HB3 LEU 10 HB3 LEU 10 -3.201 7.437 -12.658 114 HG LEU 10 HG LEU 10 -5.331 7.373 -14.802 115 HD11 LEU 10 HD11 LEU 10 -5.847 7.572 -11.808 116 HD12 LEU 10 HD12 LEU 10 -7.047 7.851 -13.095 117 HD13 LEU 10 HD13 LEU 10 -6.351 6.234 -12.868 118 HD21 LEU 10 HD21 LEU 10 -4.036 9.473 -14.428 119 HD22 LEU 10 HD22 LEU 10 -5.726 9.677 -13.930 120 HD23 LEU 10 HD23 LEU 10 -4.457 9.424 -12.707 121 H LYS 11 H LYS 11 -1.006 8.337 -14.270 122 HA LYS 11 HA LYS 11 -2.131 10.373 -15.949 123 HB2 LYS 11 HB2 LYS 11 -0.025 11.541 -15.591 124 HB3 LYS 11 HB3 LYS 11 -0.591 10.836 -14.070 125 HG2 LYS 11 HG2 LYS 11 0.986 8.965 -14.319 126 HG3 LYS 11 HG3 LYS 11 1.515 9.594 -15.900 127 HD2 LYS 11 HD2 LYS 11 2.255 11.699 -14.784 128 HD3 LYS 11 HD3 LYS 11 1.814 11.001 -13.211 129 HE2 LYS 11 HE2 LYS 11 3.406 9.146 -13.578 130 HE3 LYS 11 HE3 LYS 11 3.820 9.811 -15.169 131 HZ1 LYS 11 HZ1 LYS 11 4.255 11.169 -12.588 132 HZ2 LYS 11 HZ2 LYS 11 5.414 10.452 -13.499 133 HZ3 LYS 11 HZ3 LYS 11 4.641 11.781 -14.064 134 H LEU 12 H LEU 12 -0.563 7.464 -16.788 135 HA LEU 12 HA LEU 12 0.685 8.506 -19.223 136 HB2 LEU 12 HB2 LEU 12 0.218 5.636 -18.332 137 HB3 LEU 12 HB3 LEU 12 1.339 6.183 -19.585 138 HG LEU 12 HG LEU 12 1.530 6.851 -16.608 139 HD11 LEU 12 HD11 LEU 12 3.192 5.014 -18.374 140 HD12 LEU 12 HD12 LEU 12 3.487 5.369 -16.653 141 HD13 LEU 12 HD13 LEU 12 2.020 4.488 -17.146 142 HD21 LEU 12 HD21 LEU 12 2.477 8.645 -18.012 143 HD22 LEU 12 HD22 LEU 12 3.760 7.738 -17.191 144 HD23 LEU 12 HD23 LEU 12 3.428 7.439 -18.916 145 H LEU 13 H LEU 13 -2.458 7.372 -18.262 146 HA LEU 13 HA LEU 13 -3.216 7.024 -21.130 147 HB2 LEU 13 HB2 LEU 13 -4.255 5.730 -18.575 148 HB3 LEU 13 HB3 LEU 13 -5.199 5.760 -20.064 149 HG LEU 13 HG LEU 13 -4.130 3.636 -19.857 150 HD11 LEU 13 HD11 LEU 13 -2.711 5.230 -22.022 151 HD12 LEU 13 HD12 LEU 13 -3.013 3.483 -22.003 152 HD13 LEU 13 HD13 LEU 13 -4.380 4.615 -22.124 153 HD21 LEU 13 HD21 LEU 13 -2.167 4.385 -18.475 154 HD22 LEU 13 HD22 LEU 13 -1.776 3.258 -19.791 155 HD23 LEU 13 HD23 LEU 13 -1.419 4.987 -19.979 156 H LYS 14 H LYS 14 -3.443 9.085 -18.476 157 HA LYS 14 HA LYS 14 -5.811 10.407 -19.698 158 HB2 LYS 14 HB2 LYS 14 -5.294 10.070 -16.718 159 HB3 LYS 14 HB3 LYS 14 -6.580 11.053 -17.444 160 HG2 LYS 14 HG2 LYS 14 -7.450 9.006 -18.591 161 HG3 LYS 14 HG3 LYS 14 -6.253 8.040 -17.698 162 HD2 LYS 14 HD2 LYS 14 -7.236 8.792 -15.561 163 HD3 LYS 14 HD3 LYS 14 -8.405 9.804 -16.445 164 HE2 LYS 14 HE2 LYS 14 -9.291 7.785 -17.570 165 HE3 LYS 14 HE3 LYS 14 -8.142 6.779 -16.674 166 HZ1 LYS 14 HZ1 LYS 14 -9.196 7.501 -14.642 167 HZ2 LYS 14 HZ2 LYS 14 -10.250 8.449 -15.476 168 HZ3 LYS 14 HZ3 LYS 14 -10.314 6.817 -15.641 169 HN1 NH2 15 HN1 NHE 15 -2.697 10.663 -19.676 170 HN2 NH2 15 HN2 NHE 15 -2.459 12.357 -19.337 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 2.878 1.329 1.729 2 H2 LYS 1 H2 LYS 1 2.262 0.031 0.917 3 H3 LYS 1 H3 LYS 1 1.631 1.531 0.683 4 HA LYS 1 HA LYS 1 3.626 2.308 -0.322 5 HB2 LYS 1 HB2 LYS 1 5.462 0.748 -0.781 6 HB3 LYS 1 HB3 LYS 1 5.204 0.942 0.955 7 HG2 LYS 1 HG2 LYS 1 3.994 -1.195 1.058 8 HG3 LYS 1 HG3 LYS 1 4.146 -1.395 -0.698 9 HD2 LYS 1 HD2 LYS 1 6.616 -1.375 -0.483 10 HD3 LYS 1 HD3 LYS 1 6.467 -1.214 1.277 11 HE2 LYS 1 HE2 LYS 1 5.409 -3.535 -0.389 12 HE3 LYS 1 HE3 LYS 1 6.900 -3.555 0.557 13 HZ1 LYS 1 HZ1 LYS 1 5.111 -4.544 1.776 14 HZ2 LYS 1 HZ2 LYS 1 5.572 -3.161 2.531 15 HZ3 LYS 1 HZ3 LYS 1 4.186 -3.197 1.645 16 H LEU 2 H LEU 2 4.293 1.776 -2.604 17 HA LEU 2 HA LEU 2 3.754 1.328 -4.719 18 HB2 LEU 2 HB2 LEU 2 2.577 -1.259 -3.688 19 HB3 LEU 2 HB3 LEU 2 3.152 -0.932 -5.328 20 HG LEU 2 HG LEU 2 4.895 -0.928 -2.817 21 HD11 LEU 2 HD11 LEU 2 4.618 -2.949 -5.082 22 HD12 LEU 2 HD12 LEU 2 5.787 -3.034 -3.744 23 HD13 LEU 2 HD13 LEU 2 4.042 -3.166 -3.413 24 HD21 LEU 2 HD21 LEU 2 5.616 -0.767 -5.776 25 HD22 LEU 2 HD22 LEU 2 5.786 0.556 -4.595 26 HD23 LEU 2 HD23 LEU 2 6.772 -0.912 -4.433 27 H LEU 3 H LEU 3 1.725 2.808 -3.116 28 HA LEU 3 HA LEU 3 -0.752 2.079 -4.605 29 HB2 LEU 3 HB2 LEU 3 -0.470 4.124 -2.389 30 HB3 LEU 3 HB3 LEU 3 -1.954 3.393 -3.012 31 HG LEU 3 HG LEU 3 0.259 1.987 -1.477 32 HD11 LEU 3 HD11 LEU 3 -2.582 2.748 -0.683 33 HD12 LEU 3 HD12 LEU 3 -1.435 1.820 0.314 34 HD13 LEU 3 HD13 LEU 3 -1.088 3.513 -0.092 35 HD21 LEU 3 HD21 LEU 3 -0.850 0.430 -3.046 36 HD22 LEU 3 HD22 LEU 3 -1.364 0.074 -1.386 37 HD23 LEU 3 HD23 LEU 3 -2.448 0.970 -2.475 38 H LYS 4 H LYS 4 1.660 4.592 -4.046 39 HA LYS 4 HA LYS 4 0.422 6.657 -5.605 40 HB2 LYS 4 HB2 LYS 4 2.261 7.105 -4.047 41 HB3 LYS 4 HB3 LYS 4 3.344 6.054 -4.970 42 HG2 LYS 4 HG2 LYS 4 3.806 8.412 -5.443 43 HG3 LYS 4 HG3 LYS 4 3.230 7.590 -6.896 44 HD2 LYS 4 HD2 LYS 4 0.947 8.520 -6.507 45 HD3 LYS 4 HD3 LYS 4 1.532 9.329 -5.042 46 HE2 LYS 4 HE2 LYS 4 2.563 9.807 -7.869 47 HE3 LYS 4 HE3 LYS 4 1.424 10.847 -6.995 48 HZ1 LYS 4 HZ1 LYS 4 3.665 11.665 -6.848 49 HZ2 LYS 4 HZ2 LYS 4 3.133 11.234 -5.353 50 HZ3 LYS 4 HZ3 LYS 4 4.188 10.267 -6.158 51 H LEU 5 H LEU 5 2.105 3.718 -6.474 52 HA LEU 5 HA LEU 5 2.810 4.514 -9.157 53 HB2 LEU 5 HB2 LEU 5 2.226 1.757 -8.012 54 HB3 LEU 5 HB3 LEU 5 3.029 2.087 -9.559 55 HG LEU 5 HG LEU 5 4.079 2.851 -6.800 56 HD11 LEU 5 HD11 LEU 5 5.002 0.787 -8.843 57 HD12 LEU 5 HD12 LEU 5 5.793 1.147 -7.295 58 HD13 LEU 5 HD13 LEU 5 4.159 0.432 -7.318 59 HD21 LEU 5 HD21 LEU 5 6.158 3.444 -8.043 60 HD22 LEU 5 HD22 LEU 5 5.309 3.167 -9.577 61 HD23 LEU 5 HD23 LEU 5 4.802 4.492 -8.498 62 H LEU 6 H LEU 6 -0.232 3.659 -7.647 63 HA LEU 6 HA LEU 6 -1.520 2.760 -10.071 64 HB2 LEU 6 HB2 LEU 6 -2.729 3.889 -7.511 65 HB3 LEU 6 HB3 LEU 6 -3.584 2.970 -8.755 66 HG LEU 6 HG LEU 6 -1.293 1.902 -7.049 67 HD11 LEU 6 HD11 LEU 6 -4.288 1.366 -6.947 68 HD12 LEU 6 HD12 LEU 6 -3.051 0.588 -5.939 69 HD13 LEU 6 HD13 LEU 6 -3.365 2.330 -5.770 70 HD21 LEU 6 HD21 LEU 6 -2.003 -0.299 -7.966 71 HD22 LEU 6 HD22 LEU 6 -3.160 0.526 -9.035 72 HD23 LEU 6 HD23 LEU 6 -1.408 0.783 -9.239 73 H LYS 7 H LYS 7 -0.854 5.884 -8.570 74 HA LYS 7 HA LYS 7 -2.635 7.322 -10.426 75 HB2 LYS 7 HB2 LYS 7 -0.708 8.164 -8.234 76 HB3 LYS 7 HB3 LYS 7 -1.430 9.319 -9.362 77 HG2 LYS 7 HG2 LYS 7 -2.723 9.312 -7.350 78 HG3 LYS 7 HG3 LYS 7 -3.695 8.643 -8.663 79 HD2 LYS 7 HD2 LYS 7 -3.318 6.363 -7.849 80 HD3 LYS 7 HD3 LYS 7 -2.220 6.970 -6.582 81 HE2 LYS 7 HE2 LYS 7 -5.180 7.629 -6.876 82 HE3 LYS 7 HE3 LYS 7 -4.501 6.463 -5.727 83 HZ1 LYS 7 HZ1 LYS 7 -3.290 8.271 -4.714 84 HZ2 LYS 7 HZ2 LYS 7 -3.928 9.354 -5.774 85 HZ3 LYS 7 HZ3 LYS 7 -4.902 8.581 -4.700 86 H LYS 8 H LYS 8 0.759 6.378 -10.154 87 HA LYS 8 HA LYS 8 1.760 8.203 -12.133 88 HB2 LYS 8 HB2 LYS 8 3.189 7.073 -10.485 89 HB3 LYS 8 HB3 LYS 8 2.768 5.494 -11.178 90 HG2 LYS 8 HG2 LYS 8 3.819 6.110 -13.313 91 HG3 LYS 8 HG3 LYS 8 4.199 7.729 -12.679 92 HD2 LYS 8 HD2 LYS 8 5.604 6.704 -10.921 93 HD3 LYS 8 HD3 LYS 8 5.213 5.083 -11.554 94 HE2 LYS 8 HE2 LYS 8 6.218 5.695 -13.730 95 HE3 LYS 8 HE3 LYS 8 6.610 7.306 -13.098 96 HZ1 LYS 8 HZ1 LYS 8 7.652 4.751 -12.062 97 HZ2 LYS 8 HZ2 LYS 8 8.486 5.832 -12.976 98 HZ3 LYS 8 HZ3 LYS 8 8.007 6.240 -11.458 99 H LEU 9 H LEU 9 0.285 4.971 -12.273 100 HA LEU 9 HA LEU 9 0.759 4.714 -15.149 101 HB2 LEU 9 HB2 LEU 9 -0.873 3.113 -13.142 102 HB3 LEU 9 HB3 LEU 9 -0.679 2.671 -14.848 103 HG LEU 9 HG LEU 9 1.662 3.036 -12.926 104 HD11 LEU 9 HD11 LEU 9 0.262 0.495 -13.854 105 HD12 LEU 9 HD12 LEU 9 1.745 0.574 -12.877 106 HD13 LEU 9 HD13 LEU 9 0.214 1.174 -12.204 107 HD21 LEU 9 HD21 LEU 9 2.264 3.288 -15.305 108 HD22 LEU 9 HD22 LEU 9 2.873 1.748 -14.667 109 HD23 LEU 9 HD23 LEU 9 1.422 1.767 -15.690 110 H LEU 10 H LEU 10 -1.587 6.296 -13.140 111 HA LEU 10 HA LEU 10 -3.768 6.072 -15.055 112 HB2 LEU 10 HB2 LEU 10 -4.185 6.279 -12.673 113 HB3 LEU 10 HB3 LEU 10 -3.343 7.827 -12.602 114 HG LEU 10 HG LEU 10 -5.710 7.483 -14.464 115 HD11 LEU 10 HD11 LEU 10 -7.187 8.191 -12.613 116 HD12 LEU 10 HD12 LEU 10 -6.429 6.621 -12.274 117 HD13 LEU 10 HD13 LEU 10 -5.818 8.098 -11.486 118 HD21 LEU 10 HD21 LEU 10 -4.451 9.623 -14.592 119 HD22 LEU 10 HD22 LEU 10 -6.045 9.888 -13.880 120 HD23 LEU 10 HD23 LEU 10 -4.616 9.823 -12.827 121 H LYS 11 H LYS 11 -1.391 8.611 -14.116 122 HA LYS 11 HA LYS 11 -2.359 10.496 -16.073 123 HB2 LYS 11 HB2 LYS 11 -0.343 11.754 -15.518 124 HB3 LYS 11 HB3 LYS 11 -1.155 11.172 -14.051 125 HG2 LYS 11 HG2 LYS 11 0.483 9.311 -13.896 126 HG3 LYS 11 HG3 LYS 11 1.276 9.880 -15.377 127 HD2 LYS 11 HD2 LYS 11 2.507 10.624 -13.405 128 HD3 LYS 11 HD3 LYS 11 1.831 12.015 -14.283 129 HE2 LYS 11 HE2 LYS 11 -0.047 12.124 -12.682 130 HE3 LYS 11 HE3 LYS 11 0.595 10.721 -11.816 131 HZ1 LYS 11 HZ1 LYS 11 2.573 12.006 -11.335 132 HZ2 LYS 11 HZ2 LYS 11 1.967 13.312 -12.125 133 HZ3 LYS 11 HZ3 LYS 11 1.237 12.767 -10.761 134 H LEU 12 H LEU 12 -0.492 7.626 -16.343 135 HA LEU 12 HA LEU 12 1.075 8.428 -18.649 136 HB2 LEU 12 HB2 LEU 12 1.820 6.685 -17.110 137 HB3 LEU 12 HB3 LEU 12 0.350 5.740 -17.417 138 HG LEU 12 HG LEU 12 1.047 5.403 -19.771 139 HD11 LEU 12 HD11 LEU 12 3.569 6.860 -18.858 140 HD12 LEU 12 HD12 LEU 12 3.395 5.992 -20.397 141 HD13 LEU 12 HD13 LEU 12 2.413 7.439 -20.080 142 HD21 LEU 12 HD21 LEU 12 1.650 3.770 -18.032 143 HD22 LEU 12 HD22 LEU 12 2.923 3.879 -19.265 144 HD23 LEU 12 HD23 LEU 12 3.142 4.675 -17.685 145 H LEU 13 H LEU 13 -2.214 7.435 -18.115 146 HA LEU 13 HA LEU 13 -2.563 7.042 -21.048 147 HB2 LEU 13 HB2 LEU 13 -3.988 5.597 -18.776 148 HB3 LEU 13 HB3 LEU 13 -4.328 5.380 -20.499 149 HG LEU 13 HG LEU 13 -1.650 4.768 -19.168 150 HD11 LEU 13 HD11 LEU 13 -3.886 2.908 -20.072 151 HD12 LEU 13 HD12 LEU 13 -2.297 2.413 -19.446 152 HD13 LEU 13 HD13 LEU 13 -3.444 3.259 -18.384 153 HD21 LEU 13 HD21 LEU 13 -1.461 5.289 -21.589 154 HD22 LEU 13 HD22 LEU 13 -1.211 3.558 -21.297 155 HD23 LEU 13 HD23 LEU 13 -2.767 4.131 -21.941 156 H LYS 14 H LYS 14 -3.198 9.106 -18.568 157 HA LYS 14 HA LYS 14 -5.595 10.144 -19.986 158 HB2 LYS 14 HB2 LYS 14 -5.301 9.986 -16.964 159 HB3 LYS 14 HB3 LYS 14 -6.622 10.765 -17.850 160 HG2 LYS 14 HG2 LYS 14 -7.163 8.554 -18.916 161 HG3 LYS 14 HG3 LYS 14 -5.929 7.797 -17.883 162 HD2 LYS 14 HD2 LYS 14 -7.154 8.619 -15.868 163 HD3 LYS 14 HD3 LYS 14 -8.395 9.315 -16.934 164 HE2 LYS 14 HE2 LYS 14 -8.835 7.061 -17.874 165 HE3 LYS 14 HE3 LYS 14 -7.627 6.372 -16.780 166 HZ1 LYS 14 HZ1 LYS 14 -8.973 7.123 -14.933 167 HZ2 LYS 14 HZ2 LYS 14 -10.085 7.772 -15.948 168 HZ3 LYS 14 HZ3 LYS 14 -9.851 6.145 -15.922 169 HN1 NH2 15 HN1 NHE 15 -2.493 10.677 -19.574 170 HN2 NH2 15 HN2 NHE 15 -2.457 12.403 -19.311 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 5.875 0.045 -1.135 2 H2 LYS 1 H2 LYS 1 5.948 1.188 0.044 3 H3 LYS 1 H3 LYS 1 6.413 1.553 -1.497 4 HA LYS 1 HA LYS 1 3.698 0.826 -0.660 5 HB2 LYS 1 HB2 LYS 1 3.090 3.158 -1.113 6 HB3 LYS 1 HB3 LYS 1 4.287 3.037 0.180 7 HG2 LYS 1 HG2 LYS 1 6.087 3.640 -1.413 8 HG3 LYS 1 HG3 LYS 1 4.885 3.756 -2.727 9 HD2 LYS 1 HD2 LYS 1 3.694 5.526 -1.485 10 HD3 LYS 1 HD3 LYS 1 4.881 5.430 -0.177 11 HE2 LYS 1 HE2 LYS 1 5.496 6.161 -3.070 12 HE3 LYS 1 HE3 LYS 1 5.316 7.313 -1.738 13 HZ1 LYS 1 HZ1 LYS 1 7.183 6.260 -0.657 14 HZ2 LYS 1 HZ2 LYS 1 7.371 5.207 -1.902 15 HZ3 LYS 1 HZ3 LYS 1 7.605 6.819 -2.142 16 H LEU 2 H LEU 2 2.107 0.840 -2.299 17 HA LEU 2 HA LEU 2 3.078 0.980 -5.099 18 HB2 LEU 2 HB2 LEU 2 1.604 -1.356 -3.824 19 HB3 LEU 2 HB3 LEU 2 1.841 -1.165 -5.563 20 HG LEU 2 HG LEU 2 4.119 -1.392 -3.544 21 HD11 LEU 2 HD11 LEU 2 2.775 -3.459 -3.673 22 HD12 LEU 2 HD12 LEU 2 2.932 -3.450 -5.448 23 HD13 LEU 2 HD13 LEU 2 4.367 -3.675 -4.420 24 HD21 LEU 2 HD21 LEU 2 4.054 -1.538 -6.596 25 HD22 LEU 2 HD22 LEU 2 4.734 -0.203 -5.638 26 HD23 LEU 2 HD23 LEU 2 5.480 -1.813 -5.569 27 H LEU 3 H LEU 3 1.073 2.382 -3.011 28 HA LEU 3 HA LEU 3 -1.441 2.117 -4.516 29 HB2 LEU 3 HB2 LEU 3 -1.655 2.188 -2.137 30 HB3 LEU 3 HB3 LEU 3 -0.510 3.539 -2.005 31 HG LEU 3 HG LEU 3 -2.084 5.024 -3.152 32 HD11 LEU 3 HD11 LEU 3 -4.003 2.650 -2.950 33 HD12 LEU 3 HD12 LEU 3 -4.454 4.301 -3.436 34 HD13 LEU 3 HD13 LEU 3 -3.369 3.341 -4.461 35 HD21 LEU 3 HD21 LEU 3 -3.256 3.562 -0.747 36 HD22 LEU 3 HD22 LEU 3 -2.055 4.882 -0.691 37 HD23 LEU 3 HD23 LEU 3 -3.698 5.202 -1.282 38 H LYS 4 H LYS 4 1.142 4.526 -3.868 39 HA LYS 4 HA LYS 4 -0.046 6.566 -5.533 40 HB2 LYS 4 HB2 LYS 4 1.571 7.055 -3.742 41 HB3 LYS 4 HB3 LYS 4 2.814 6.119 -4.584 42 HG2 LYS 4 HG2 LYS 4 2.802 7.696 -6.463 43 HG3 LYS 4 HG3 LYS 4 1.455 8.596 -5.722 44 HD2 LYS 4 HD2 LYS 4 2.884 9.127 -3.772 45 HD3 LYS 4 HD3 LYS 4 4.215 8.205 -4.490 46 HE2 LYS 4 HE2 LYS 4 4.552 10.584 -4.916 47 HE3 LYS 4 HE3 LYS 4 4.233 9.741 -6.437 48 HZ1 LYS 4 HZ1 LYS 4 2.248 11.275 -4.893 49 HZ2 LYS 4 HZ2 LYS 4 3.001 11.794 -6.258 50 HZ3 LYS 4 HZ3 LYS 4 1.964 10.523 -6.321 51 H LEU 5 H LEU 5 1.706 3.637 -6.175 52 HA LEU 5 HA LEU 5 2.840 4.386 -8.697 53 HB2 LEU 5 HB2 LEU 5 3.583 2.410 -7.483 54 HB3 LEU 5 HB3 LEU 5 1.958 1.720 -7.521 55 HG LEU 5 HG LEU 5 2.070 1.520 -9.988 56 HD11 LEU 5 HD11 LEU 5 3.646 3.364 -10.478 57 HD12 LEU 5 HD12 LEU 5 4.938 2.501 -9.607 58 HD13 LEU 5 HD13 LEU 5 4.277 1.834 -11.113 59 HD21 LEU 5 HD21 LEU 5 3.730 -0.294 -10.032 60 HD22 LEU 5 HD22 LEU 5 4.437 0.297 -8.509 61 HD23 LEU 5 HD23 LEU 5 2.776 -0.341 -8.535 62 H LEU 6 H LEU 6 -0.433 3.534 -7.651 63 HA LEU 6 HA LEU 6 -1.392 2.824 -10.276 64 HB2 LEU 6 HB2 LEU 6 -2.909 3.828 -7.836 65 HB3 LEU 6 HB3 LEU 6 -3.611 3.013 -9.239 66 HG LEU 6 HG LEU 6 -1.615 1.795 -7.278 67 HD11 LEU 6 HD11 LEU 6 -3.521 0.410 -6.592 68 HD12 LEU 6 HD12 LEU 6 -3.891 2.132 -6.366 69 HD13 LEU 6 HD13 LEU 6 -4.573 1.249 -7.754 70 HD21 LEU 6 HD21 LEU 6 -3.082 0.587 -9.659 71 HD22 LEU 6 HD22 LEU 6 -1.322 0.836 -9.533 72 HD23 LEU 6 HD23 LEU 6 -2.134 -0.325 -8.468 73 H LYS 7 H LYS 7 -0.919 5.855 -8.532 74 HA LYS 7 HA LYS 7 -2.480 7.411 -10.473 75 HB2 LYS 7 HB2 LYS 7 -0.719 8.121 -8.106 76 HB3 LYS 7 HB3 LYS 7 -1.363 9.340 -9.213 77 HG2 LYS 7 HG2 LYS 7 -2.800 9.207 -7.307 78 HG3 LYS 7 HG3 LYS 7 -3.668 8.624 -8.733 79 HD2 LYS 7 HD2 LYS 7 -3.361 6.297 -8.020 80 HD3 LYS 7 HD3 LYS 7 -2.357 6.825 -6.651 81 HE2 LYS 7 HE2 LYS 7 -5.290 7.540 -7.102 82 HE3 LYS 7 HE3 LYS 7 -4.703 6.292 -6.004 83 HZ1 LYS 7 HZ1 LYS 7 -5.144 8.332 -4.849 84 HZ2 LYS 7 HZ2 LYS 7 -3.538 8.000 -4.775 85 HZ3 LYS 7 HZ3 LYS 7 -4.090 9.164 -5.797 86 H LYS 8 H LYS 8 0.854 6.386 -9.975 87 HA LYS 8 HA LYS 8 2.044 8.271 -11.812 88 HB2 LYS 8 HB2 LYS 8 3.304 7.199 -10.023 89 HB3 LYS 8 HB3 LYS 8 2.957 5.592 -10.687 90 HG2 LYS 8 HG2 LYS 8 4.250 6.090 -12.703 91 HG3 LYS 8 HG3 LYS 8 4.519 7.757 -12.144 92 HD2 LYS 8 HD2 LYS 8 5.748 6.913 -10.177 93 HD3 LYS 8 HD3 LYS 8 5.442 5.242 -10.687 94 HE2 LYS 8 HE2 LYS 8 7.702 5.899 -11.330 95 HE3 LYS 8 HE3 LYS 8 6.711 5.617 -12.765 96 HZ1 LYS 8 HZ1 LYS 8 6.417 7.994 -12.953 97 HZ2 LYS 8 HZ2 LYS 8 7.327 8.251 -11.603 98 HZ3 LYS 8 HZ3 LYS 8 8.015 7.616 -12.952 99 H LEU 9 H LEU 9 0.441 5.146 -12.140 100 HA LEU 9 HA LEU 9 1.308 4.883 -14.956 101 HB2 LEU 9 HB2 LEU 9 -0.451 3.189 -13.140 102 HB3 LEU 9 HB3 LEU 9 -0.048 2.772 -14.813 103 HG LEU 9 HG LEU 9 2.038 3.231 -12.640 104 HD11 LEU 9 HD11 LEU 9 2.226 0.760 -12.594 105 HD12 LEU 9 HD12 LEU 9 0.611 1.293 -12.087 106 HD13 LEU 9 HD13 LEU 9 0.859 0.635 -13.727 107 HD21 LEU 9 HD21 LEU 9 3.509 2.020 -14.218 108 HD22 LEU 9 HD22 LEU 9 2.185 1.973 -15.407 109 HD23 LEU 9 HD23 LEU 9 2.892 3.531 -14.921 110 H LEU 10 H LEU 10 -1.369 6.195 -13.117 111 HA LEU 10 HA LEU 10 -3.375 5.863 -15.172 112 HB2 LEU 10 HB2 LEU 10 -3.984 6.062 -12.866 113 HB3 LEU 10 HB3 LEU 10 -3.160 7.616 -12.696 114 HG LEU 10 HG LEU 10 -5.349 7.366 -14.750 115 HD11 LEU 10 HD11 LEU 10 -5.768 7.702 -11.751 116 HD12 LEU 10 HD12 LEU 10 -7.022 7.884 -13.001 117 HD13 LEU 10 HD13 LEU 10 -6.272 6.300 -12.728 118 HD21 LEU 10 HD21 LEU 10 -4.099 9.524 -14.528 119 HD22 LEU 10 HD22 LEU 10 -5.787 9.705 -14.032 120 HD23 LEU 10 HD23 LEU 10 -4.519 9.566 -12.797 121 H LYS 11 H LYS 11 -0.974 8.401 -14.403 122 HA LYS 11 HA LYS 11 -2.161 10.342 -16.171 123 HB2 LYS 11 HB2 LYS 11 -0.039 11.557 -15.853 124 HB3 LYS 11 HB3 LYS 11 -0.740 11.011 -14.322 125 HG2 LYS 11 HG2 LYS 11 0.828 9.117 -14.242 126 HG3 LYS 11 HG3 LYS 11 1.480 9.562 -15.832 127 HD2 LYS 11 HD2 LYS 11 2.954 10.333 -14.030 128 HD3 LYS 11 HD3 LYS 11 2.274 11.713 -14.916 129 HE2 LYS 11 HE2 LYS 11 0.569 12.009 -13.146 130 HE3 LYS 11 HE3 LYS 11 1.229 10.613 -12.275 131 HZ1 LYS 11 HZ1 LYS 11 3.297 11.830 -12.057 132 HZ2 LYS 11 HZ2 LYS 11 2.667 13.116 -12.865 133 HZ3 LYS 11 HZ3 LYS 11 2.055 12.682 -11.405 134 H LEU 12 H LEU 12 -0.519 7.429 -16.851 135 HA LEU 12 HA LEU 12 0.793 8.376 -19.278 136 HB2 LEU 12 HB2 LEU 12 0.215 5.543 -18.342 137 HB3 LEU 12 HB3 LEU 12 1.350 6.021 -19.608 138 HG LEU 12 HG LEU 12 1.567 6.727 -16.652 139 HD11 LEU 12 HD11 LEU 12 3.179 4.835 -18.412 140 HD12 LEU 12 HD12 LEU 12 3.492 5.187 -16.695 141 HD13 LEU 12 HD13 LEU 12 2.003 4.345 -17.173 142 HD21 LEU 12 HD21 LEU 12 2.568 8.499 -18.051 143 HD22 LEU 12 HD22 LEU 12 3.838 7.543 -17.265 144 HD23 LEU 12 HD23 LEU 12 3.462 7.274 -18.981 145 H LEU 13 H LEU 13 -2.429 7.600 -18.437 146 HA LEU 13 HA LEU 13 -3.111 7.332 -21.314 147 HB2 LEU 13 HB2 LEU 13 -4.232 5.666 -19.023 148 HB3 LEU 13 HB3 LEU 13 -4.859 5.647 -20.673 149 HG LEU 13 HG LEU 13 -2.005 4.881 -19.944 150 HD11 LEU 13 HD11 LEU 13 -4.445 3.150 -20.530 151 HD12 LEU 13 HD12 LEU 13 -2.785 2.563 -20.301 152 HD13 LEU 13 HD13 LEU 13 -3.654 3.328 -18.950 153 HD21 LEU 13 HD21 LEU 13 -3.659 4.498 -22.477 154 HD22 LEU 13 HD22 LEU 13 -2.295 5.629 -22.290 155 HD23 LEU 13 HD23 LEU 13 -2.014 3.877 -22.208 156 H LYS 14 H LYS 14 -3.470 9.108 -18.536 157 HA LYS 14 HA LYS 14 -5.944 10.326 -19.623 158 HB2 LYS 14 HB2 LYS 14 -5.417 9.742 -16.684 159 HB3 LYS 14 HB3 LYS 14 -6.739 10.742 -17.315 160 HG2 LYS 14 HG2 LYS 14 -7.555 8.789 -18.638 161 HG3 LYS 14 HG3 LYS 14 -6.296 7.781 -17.885 162 HD2 LYS 14 HD2 LYS 14 -7.245 8.223 -15.657 163 HD3 LYS 14 HD3 LYS 14 -8.440 9.323 -16.364 164 HE2 LYS 14 HE2 LYS 14 -9.464 7.146 -15.922 165 HE3 LYS 14 HE3 LYS 14 -9.423 7.475 -17.660 166 HZ1 LYS 14 HZ1 LYS 14 -7.482 6.055 -17.807 167 HZ2 LYS 14 HZ2 LYS 14 -7.531 5.760 -16.186 168 HZ3 LYS 14 HZ3 LYS 14 -8.749 5.240 -17.162 169 HN1 NH2 15 HN1 NHE 15 -2.826 10.787 -19.452 170 HN2 NH2 15 HN2 NHE 15 -2.737 12.472 -18.981 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 0.758 1.335 0.643 2 H2 LYS 1 H2 LYS 1 1.861 1.096 1.841 3 H3 LYS 1 H3 LYS 1 1.319 -0.177 0.949 4 HA LYS 1 HA LYS 1 2.901 2.066 -0.074 5 HB2 LYS 1 HB2 LYS 1 4.078 0.468 1.474 6 HB3 LYS 1 HB3 LYS 1 3.737 -0.832 0.321 7 HG2 LYS 1 HG2 LYS 1 5.077 0.324 -1.404 8 HG3 LYS 1 HG3 LYS 1 5.284 1.717 -0.324 9 HD2 LYS 1 HD2 LYS 1 7.293 0.311 -0.334 10 HD3 LYS 1 HD3 LYS 1 6.533 0.314 1.269 11 HE2 LYS 1 HE2 LYS 1 5.477 -1.866 0.781 12 HE3 LYS 1 HE3 LYS 1 6.186 -1.858 -0.845 13 HZ1 LYS 1 HZ1 LYS 1 8.354 -1.887 0.171 14 HZ2 LYS 1 HZ2 LYS 1 7.714 -1.864 1.679 15 HZ3 LYS 1 HZ3 LYS 1 7.474 -3.163 0.705 16 H LEU 2 H LEU 2 3.730 1.587 -2.335 17 HA LEU 2 HA LEU 2 3.315 1.224 -4.498 18 HB2 LEU 2 HB2 LEU 2 1.970 -1.361 -3.702 19 HB3 LEU 2 HB3 LEU 2 2.703 -0.962 -5.251 20 HG LEU 2 HG LEU 2 4.189 -1.261 -2.596 21 HD11 LEU 2 HD11 LEU 2 5.113 -3.275 -3.641 22 HD12 LEU 2 HD12 LEU 2 3.344 -3.380 -3.534 23 HD13 LEU 2 HD13 LEU 2 4.122 -3.000 -5.091 24 HD21 LEU 2 HD21 LEU 2 5.219 -0.777 -5.426 25 HD22 LEU 2 HD22 LEU 2 5.304 0.383 -4.078 26 HD23 LEU 2 HD23 LEU 2 6.226 -1.131 -4.003 27 H LEU 3 H LEU 3 1.252 2.721 -2.973 28 HA LEU 3 HA LEU 3 -1.163 2.112 -4.603 29 HB2 LEU 3 HB2 LEU 3 -0.916 4.123 -2.349 30 HB3 LEU 3 HB3 LEU 3 -2.394 3.459 -3.052 31 HG LEU 3 HG LEU 3 -0.317 1.940 -1.440 32 HD11 LEU 3 HD11 LEU 3 -3.161 2.811 -0.790 33 HD12 LEU 3 HD12 LEU 3 -2.114 1.843 0.269 34 HD13 LEU 3 HD13 LEU 3 -1.677 3.527 -0.119 35 HD21 LEU 3 HD21 LEU 3 -3.013 1.061 -2.574 36 HD22 LEU 3 HD22 LEU 3 -1.420 0.462 -3.097 37 HD23 LEU 3 HD23 LEU 3 -2.010 0.101 -1.462 38 H LYS 4 H LYS 4 1.261 4.588 -3.867 39 HA LYS 4 HA LYS 4 0.137 6.668 -5.499 40 HB2 LYS 4 HB2 LYS 4 1.829 7.083 -3.768 41 HB3 LYS 4 HB3 LYS 4 3.008 6.099 -4.656 42 HG2 LYS 4 HG2 LYS 4 3.011 7.694 -6.515 43 HG3 LYS 4 HG3 LYS 4 1.698 8.618 -5.759 44 HD2 LYS 4 HD2 LYS 4 3.836 9.732 -5.380 45 HD3 LYS 4 HD3 LYS 4 3.168 9.146 -3.843 46 HE2 LYS 4 HE2 LYS 4 4.660 7.168 -3.947 47 HE3 LYS 4 HE3 LYS 4 5.291 7.729 -5.511 48 HZ1 LYS 4 HZ1 LYS 4 6.733 8.319 -3.699 49 HZ2 LYS 4 HZ2 LYS 4 6.123 9.675 -4.397 50 HZ3 LYS 4 HZ3 LYS 4 5.537 9.158 -2.950 51 H LEU 5 H LEU 5 1.851 3.729 -6.248 52 HA LEU 5 HA LEU 5 2.826 4.544 -8.842 53 HB2 LEU 5 HB2 LEU 5 2.358 1.902 -7.441 54 HB3 LEU 5 HB3 LEU 5 2.712 1.944 -9.171 55 HG LEU 5 HG LEU 5 4.800 3.188 -8.757 56 HD11 LEU 5 HD11 LEU 5 5.704 3.311 -6.446 57 HD12 LEU 5 HD12 LEU 5 4.280 4.333 -6.651 58 HD13 LEU 5 HD13 LEU 5 4.127 2.768 -5.813 59 HD21 LEU 5 HD21 LEU 5 6.029 1.307 -7.748 60 HD22 LEU 5 HD22 LEU 5 4.499 0.629 -7.136 61 HD23 LEU 5 HD23 LEU 5 4.799 0.726 -8.888 62 H LEU 6 H LEU 6 -0.354 3.700 -7.615 63 HA LEU 6 HA LEU 6 -1.416 2.806 -10.151 64 HB2 LEU 6 HB2 LEU 6 -2.839 3.964 -7.728 65 HB3 LEU 6 HB3 LEU 6 -3.597 3.052 -9.039 66 HG LEU 6 HG LEU 6 -1.470 1.937 -7.155 67 HD11 LEU 6 HD11 LEU 6 -4.476 1.479 -7.255 68 HD12 LEU 6 HD12 LEU 6 -3.328 0.664 -6.168 69 HD13 LEU 6 HD13 LEU 6 -3.607 2.411 -6.010 70 HD21 LEU 6 HD21 LEU 6 -3.234 0.605 -9.257 71 HD22 LEU 6 HD22 LEU 6 -1.470 0.825 -9.355 72 HD23 LEU 6 HD23 LEU 6 -2.161 -0.245 -8.120 73 H LYS 7 H LYS 7 -0.944 5.938 -8.564 74 HA LYS 7 HA LYS 7 -2.553 7.431 -10.483 75 HB2 LYS 7 HB2 LYS 7 -0.330 8.329 -8.608 76 HB3 LYS 7 HB3 LYS 7 -1.518 9.377 -9.394 77 HG2 LYS 7 HG2 LYS 7 -3.328 8.423 -8.094 78 HG3 LYS 7 HG3 LYS 7 -2.266 7.149 -7.439 79 HD2 LYS 7 HD2 LYS 7 -0.860 8.812 -6.359 80 HD3 LYS 7 HD3 LYS 7 -1.879 10.130 -6.985 81 HE2 LYS 7 HE2 LYS 7 -3.829 9.167 -5.771 82 HE3 LYS 7 HE3 LYS 7 -2.790 7.889 -5.119 83 HZ1 LYS 7 HZ1 LYS 7 -1.494 9.594 -4.023 84 HZ2 LYS 7 HZ2 LYS 7 -2.459 10.776 -4.634 85 HZ3 LYS 7 HZ3 LYS 7 -3.064 9.689 -3.563 86 H LYS 8 H LYS 8 0.871 6.604 -9.990 87 HA LYS 8 HA LYS 8 1.967 8.208 -12.064 88 HB2 LYS 8 HB2 LYS 8 3.274 7.206 -10.246 89 HB3 LYS 8 HB3 LYS 8 2.920 5.576 -10.862 90 HG2 LYS 8 HG2 LYS 8 4.136 6.069 -12.942 91 HG3 LYS 8 HG3 LYS 8 4.435 7.733 -12.393 92 HD2 LYS 8 HD2 LYS 8 5.682 6.846 -10.432 93 HD3 LYS 8 HD3 LYS 8 5.430 5.192 -11.026 94 HE2 LYS 8 HE2 LYS 8 6.907 7.409 -12.504 95 HE3 LYS 8 HE3 LYS 8 7.668 6.076 -11.625 96 HZ1 LYS 8 HZ1 LYS 8 5.907 5.779 -13.965 97 HZ2 LYS 8 HZ2 LYS 8 7.541 5.620 -13.961 98 HZ3 LYS 8 HZ3 LYS 8 6.615 4.544 -13.142 99 H LEU 9 H LEU 9 0.363 5.049 -12.159 100 HA LEU 9 HA LEU 9 1.114 4.644 -14.982 101 HB2 LEU 9 HB2 LEU 9 -0.589 3.083 -13.005 102 HB3 LEU 9 HB3 LEU 9 -0.320 2.575 -14.678 103 HG LEU 9 HG LEU 9 1.937 3.051 -12.676 104 HD11 LEU 9 HD11 LEU 9 0.584 0.465 -13.539 105 HD12 LEU 9 HD12 LEU 9 2.036 0.590 -12.511 106 HD13 LEU 9 HD13 LEU 9 0.478 1.218 -11.928 107 HD21 LEU 9 HD21 LEU 9 1.834 1.645 -15.383 108 HD22 LEU 9 HD22 LEU 9 2.624 3.208 -15.050 109 HD23 LEU 9 HD23 LEU 9 3.244 1.720 -14.316 110 H LEU 10 H LEU 10 -1.491 6.084 -13.131 111 HA LEU 10 HA LEU 10 -3.493 5.765 -15.212 112 HB2 LEU 10 HB2 LEU 10 -4.156 5.891 -12.926 113 HB3 LEU 10 HB3 LEU 10 -3.330 7.433 -12.674 114 HG LEU 10 HG LEU 10 -5.481 7.268 -14.790 115 HD11 LEU 10 HD11 LEU 10 -5.953 7.550 -11.794 116 HD12 LEU 10 HD12 LEU 10 -7.176 7.765 -13.065 117 HD13 LEU 10 HD13 LEU 10 -6.447 6.169 -12.806 118 HD21 LEU 10 HD21 LEU 10 -4.632 9.401 -12.768 119 HD22 LEU 10 HD22 LEU 10 -4.212 9.399 -14.496 120 HD23 LEU 10 HD23 LEU 10 -5.903 9.591 -13.997 121 H LYS 11 H LYS 11 -1.181 8.318 -14.217 122 HA LYS 11 HA LYS 11 -2.293 10.326 -15.943 123 HB2 LYS 11 HB2 LYS 11 -0.252 11.572 -15.432 124 HB3 LYS 11 HB3 LYS 11 -0.936 10.855 -13.963 125 HG2 LYS 11 HG2 LYS 11 0.693 8.972 -14.150 126 HG3 LYS 11 HG3 LYS 11 1.414 9.753 -15.571 127 HD2 LYS 11 HD2 LYS 11 1.265 10.943 -12.767 128 HD3 LYS 11 HD3 LYS 11 2.700 10.214 -13.515 129 HE2 LYS 11 HE2 LYS 11 2.611 11.915 -15.324 130 HE3 LYS 11 HE3 LYS 11 1.214 12.671 -14.537 131 HZ1 LYS 11 HZ1 LYS 11 2.598 13.083 -12.621 132 HZ2 LYS 11 HZ2 LYS 11 3.895 12.386 -13.357 133 HZ3 LYS 11 HZ3 LYS 11 3.246 13.778 -13.958 134 H LEU 12 H LEU 12 -0.568 7.489 -16.694 135 HA LEU 12 HA LEU 12 0.862 8.552 -18.998 136 HB2 LEU 12 HB2 LEU 12 1.700 6.618 -17.750 137 HB3 LEU 12 HB3 LEU 12 0.206 5.730 -18.077 138 HG LEU 12 HG LEU 12 0.725 5.783 -20.523 139 HD11 LEU 12 HD11 LEU 12 2.123 7.815 -20.597 140 HD12 LEU 12 HD12 LEU 12 3.340 7.030 -19.565 141 HD13 LEU 12 HD13 LEU 12 3.030 6.422 -21.212 142 HD21 LEU 12 HD21 LEU 12 1.404 3.875 -19.117 143 HD22 LEU 12 HD22 LEU 12 2.591 4.169 -20.411 144 HD23 LEU 12 HD23 LEU 12 2.950 4.683 -18.750 145 H LEU 13 H LEU 13 -2.336 7.208 -18.321 146 HA LEU 13 HA LEU 13 -2.949 7.096 -21.240 147 HB2 LEU 13 HB2 LEU 13 -4.271 5.939 -18.755 148 HB3 LEU 13 HB3 LEU 13 -5.085 6.009 -20.312 149 HG LEU 13 HG LEU 13 -4.181 3.812 -19.941 150 HD11 LEU 13 HD11 LEU 13 -4.259 4.697 -22.253 151 HD12 LEU 13 HD12 LEU 13 -2.573 5.248 -22.091 152 HD13 LEU 13 HD13 LEU 13 -2.952 3.515 -22.020 153 HD21 LEU 13 HD21 LEU 13 -2.253 4.461 -18.487 154 HD22 LEU 13 HD22 LEU 13 -1.824 3.322 -19.783 155 HD23 LEU 13 HD23 LEU 13 -1.397 5.032 -19.948 156 H LYS 14 H LYS 14 -3.757 8.735 -18.195 157 HA LYS 14 HA LYS 14 -5.927 10.234 -19.525 158 HB2 LYS 14 HB2 LYS 14 -4.939 10.283 -16.651 159 HB3 LYS 14 HB3 LYS 14 -6.382 11.103 -17.266 160 HG2 LYS 14 HG2 LYS 14 -5.917 8.088 -17.204 161 HG3 LYS 14 HG3 LYS 14 -6.961 9.013 -16.111 162 HD2 LYS 14 HD2 LYS 14 -8.357 9.712 -18.047 163 HD3 LYS 14 HD3 LYS 14 -7.345 8.725 -19.124 164 HE2 LYS 14 HE2 LYS 14 -7.908 6.704 -17.788 165 HE3 LYS 14 HE3 LYS 14 -8.946 7.684 -16.745 166 HZ1 LYS 14 HZ1 LYS 14 -9.316 7.286 -19.638 167 HZ2 LYS 14 HZ2 LYS 14 -10.210 6.591 -18.449 168 HZ3 LYS 14 HZ3 LYS 14 -10.274 8.214 -18.683 169 HN1 NH2 15 HN1 NHE 15 -2.642 10.533 -19.499 170 HN2 NH2 15 HN2 NHE 15 -2.518 12.281 -19.533 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 4.615 2.124 -1.282 2 H2 LYS 1 H2 LYS 1 4.091 2.476 0.240 3 H3 LYS 1 H3 LYS 1 3.442 3.251 -1.063 4 HA LYS 1 HA LYS 1 3.218 0.385 -0.488 5 HB2 LYS 1 HB2 LYS 1 1.117 2.578 -0.295 6 HB3 LYS 1 HB3 LYS 1 0.820 0.837 -0.116 7 HG2 LYS 1 HG2 LYS 1 2.349 0.760 1.823 8 HG3 LYS 1 HG3 LYS 1 2.675 2.493 1.647 9 HD2 LYS 1 HD2 LYS 1 1.041 2.140 3.416 10 HD3 LYS 1 HD3 LYS 1 0.278 2.985 2.063 11 HE2 LYS 1 HE2 LYS 1 -0.700 0.852 1.276 12 HE3 LYS 1 HE3 LYS 1 0.114 -0.010 2.597 13 HZ1 LYS 1 HZ1 LYS 1 -2.167 0.489 3.133 14 HZ2 LYS 1 HZ2 LYS 1 -1.157 1.308 4.143 15 HZ3 LYS 1 HZ3 LYS 1 -1.919 2.097 2.916 16 H LEU 2 H LEU 2 1.725 -0.756 -1.899 17 HA LEU 2 HA LEU 2 2.251 -0.110 -4.660 18 HB2 LEU 2 HB2 LEU 2 0.559 -2.319 -3.435 19 HB3 LEU 2 HB3 LEU 2 1.120 -2.251 -5.111 20 HG LEU 2 HG LEU 2 2.923 -2.424 -2.655 21 HD11 LEU 2 HD11 LEU 2 2.186 -4.504 -4.757 22 HD12 LEU 2 HD12 LEU 2 3.349 -4.713 -3.430 23 HD13 LEU 2 HD13 LEU 2 1.625 -4.484 -3.071 24 HD21 LEU 2 HD21 LEU 2 4.703 -2.899 -4.343 25 HD22 LEU 2 HD22 LEU 2 3.539 -2.566 -5.643 26 HD23 LEU 2 HD23 LEU 2 4.035 -1.267 -4.533 27 H LEU 3 H LEU 3 0.701 1.975 -3.568 28 HA LEU 3 HA LEU 3 -1.710 1.717 -5.289 29 HB2 LEU 3 HB2 LEU 3 -3.100 2.773 -3.680 30 HB3 LEU 3 HB3 LEU 3 -2.278 1.427 -2.894 31 HG LEU 3 HG LEU 3 -0.540 3.297 -2.153 32 HD11 LEU 3 HD11 LEU 3 -1.574 5.184 -3.405 33 HD12 LEU 3 HD12 LEU 3 -3.110 4.890 -2.566 34 HD13 LEU 3 HD13 LEU 3 -1.682 5.448 -1.663 35 HD21 LEU 3 HD21 LEU 3 -3.320 3.028 -0.941 36 HD22 LEU 3 HD22 LEU 3 -1.958 1.916 -0.664 37 HD23 LEU 3 HD23 LEU 3 -1.863 3.599 -0.095 38 H LYS 4 H LYS 4 1.062 3.566 -4.216 39 HA LYS 4 HA LYS 4 0.220 6.055 -5.436 40 HB2 LYS 4 HB2 LYS 4 1.925 5.974 -3.673 41 HB3 LYS 4 HB3 LYS 4 2.961 4.949 -4.687 42 HG2 LYS 4 HG2 LYS 4 3.176 6.748 -6.348 43 HG3 LYS 4 HG3 LYS 4 2.105 7.790 -5.389 44 HD2 LYS 4 HD2 LYS 4 4.784 6.666 -4.471 45 HD3 LYS 4 HD3 LYS 4 4.525 8.310 -5.068 46 HE2 LYS 4 HE2 LYS 4 3.212 7.109 -2.592 47 HE3 LYS 4 HE3 LYS 4 4.595 8.204 -2.592 48 HZ1 LYS 4 HZ1 LYS 4 2.562 9.374 -2.199 49 HZ2 LYS 4 HZ2 LYS 4 3.222 9.871 -3.613 50 HZ3 LYS 4 HZ3 LYS 4 1.916 8.863 -3.622 51 H LEU 5 H LEU 5 1.584 3.033 -6.584 52 HA LEU 5 HA LEU 5 2.633 4.015 -9.069 53 HB2 LEU 5 HB2 LEU 5 1.504 1.277 -8.357 54 HB3 LEU 5 HB3 LEU 5 2.532 1.651 -9.749 55 HG LEU 5 HG LEU 5 3.353 1.948 -6.826 56 HD11 LEU 5 HD11 LEU 5 4.778 -0.012 -7.283 57 HD12 LEU 5 HD12 LEU 5 3.062 -0.403 -7.532 58 HD13 LEU 5 HD13 LEU 5 4.122 -0.116 -8.931 59 HD21 LEU 5 HD21 LEU 5 4.940 2.211 -9.420 60 HD22 LEU 5 HD22 LEU 5 4.557 3.531 -8.280 61 HD23 LEU 5 HD23 LEU 5 5.637 2.217 -7.788 62 H LEU 6 H LEU 6 -0.618 3.418 -7.891 63 HA LEU 6 HA LEU 6 -1.829 3.095 -10.483 64 HB2 LEU 6 HB2 LEU 6 -3.081 4.054 -7.876 65 HB3 LEU 6 HB3 LEU 6 -3.940 3.412 -9.280 66 HG LEU 6 HG LEU 6 -1.937 1.856 -7.578 67 HD11 LEU 6 HD11 LEU 6 -4.977 1.719 -7.734 68 HD12 LEU 6 HD12 LEU 6 -3.931 0.658 -6.770 69 HD13 LEU 6 HD13 LEU 6 -4.030 2.387 -6.386 70 HD21 LEU 6 HD21 LEU 6 -3.794 0.985 -9.837 71 HD22 LEU 6 HD22 LEU 6 -2.016 1.030 -9.906 72 HD23 LEU 6 HD23 LEU 6 -2.826 -0.109 -8.820 73 H LYS 7 H LYS 7 -0.848 5.848 -8.511 74 HA LYS 7 HA LYS 7 -2.278 7.766 -10.226 75 HB2 LYS 7 HB2 LYS 7 -0.452 8.040 -7.815 76 HB3 LYS 7 HB3 LYS 7 -0.962 9.422 -8.782 77 HG2 LYS 7 HG2 LYS 7 -2.407 9.252 -6.886 78 HG3 LYS 7 HG3 LYS 7 -3.343 8.879 -8.338 79 HD2 LYS 7 HD2 LYS 7 -3.246 6.484 -7.848 80 HD3 LYS 7 HD3 LYS 7 -2.186 6.786 -6.450 81 HE2 LYS 7 HE2 LYS 7 -5.040 7.799 -6.779 82 HE3 LYS 7 HE3 LYS 7 -4.546 6.413 -5.795 83 HZ1 LYS 7 HZ1 LYS 7 -4.789 8.384 -4.464 84 HZ2 LYS 7 HZ2 LYS 7 -3.212 7.918 -4.467 85 HZ3 LYS 7 HZ3 LYS 7 -3.695 9.202 -5.370 86 H LYS 8 H LYS 8 0.900 6.285 -9.959 87 HA LYS 8 HA LYS 8 2.278 8.264 -11.567 88 HB2 LYS 8 HB2 LYS 8 3.446 6.800 -9.985 89 HB3 LYS 8 HB3 LYS 8 2.925 5.364 -10.896 90 HG2 LYS 8 HG2 LYS 8 4.224 6.097 -12.844 91 HG3 LYS 8 HG3 LYS 8 4.666 7.606 -12.006 92 HD2 LYS 8 HD2 LYS 8 5.830 6.281 -10.260 93 HD3 LYS 8 HD3 LYS 8 5.383 4.780 -11.106 94 HE2 LYS 8 HE2 LYS 8 6.616 5.547 -13.111 95 HE3 LYS 8 HE3 LYS 8 7.062 7.042 -12.269 96 HZ1 LYS 8 HZ1 LYS 8 7.832 4.319 -11.445 97 HZ2 LYS 8 HZ2 LYS 8 8.818 5.410 -12.171 98 HZ3 LYS 8 HZ3 LYS 8 8.244 5.699 -10.656 99 H LEU 9 H LEU 9 0.362 5.373 -12.244 100 HA LEU 9 HA LEU 9 1.114 5.437 -15.093 101 HB2 LEU 9 HB2 LEU 9 -0.767 3.680 -13.477 102 HB3 LEU 9 HB3 LEU 9 -0.441 3.463 -15.201 103 HG LEU 9 HG LEU 9 1.707 3.389 -13.037 104 HD11 LEU 9 HD11 LEU 9 0.308 1.118 -14.515 105 HD12 LEU 9 HD12 LEU 9 1.670 0.941 -13.381 106 HD13 LEU 9 HD13 LEU 9 0.101 1.523 -12.795 107 HD21 LEU 9 HD21 LEU 9 1.718 2.599 -15.986 108 HD22 LEU 9 HD22 LEU 9 2.587 3.978 -15.263 109 HD23 LEU 9 HD23 LEU 9 3.049 2.318 -14.844 110 H LEU 10 H LEU 10 -1.266 6.898 -13.051 111 HA LEU 10 HA LEU 10 -3.484 6.930 -14.847 112 HB2 LEU 10 HB2 LEU 10 -3.812 7.466 -12.529 113 HB3 LEU 10 HB3 LEU 10 -2.573 8.728 -12.580 114 HG LEU 10 HG LEU 10 -3.979 10.098 -14.083 115 HD11 LEU 10 HD11 LEU 10 -6.352 9.465 -14.403 116 HD12 LEU 10 HD12 LEU 10 -5.262 8.315 -15.203 117 HD13 LEU 10 HD13 LEU 10 -6.024 7.879 -13.655 118 HD21 LEU 10 HD21 LEU 10 -5.384 9.146 -11.557 119 HD22 LEU 10 HD22 LEU 10 -4.098 10.376 -11.644 120 HD23 LEU 10 HD23 LEU 10 -5.677 10.684 -12.405 121 H LYS 11 H LYS 11 -0.653 9.105 -14.481 122 HA LYS 11 HA LYS 11 -1.674 11.050 -16.335 123 HB2 LYS 11 HB2 LYS 11 0.580 12.013 -16.203 124 HB3 LYS 11 HB3 LYS 11 -0.042 11.610 -14.592 125 HG2 LYS 11 HG2 LYS 11 1.251 9.488 -14.630 126 HG3 LYS 11 HG3 LYS 11 1.927 9.941 -16.211 127 HD2 LYS 11 HD2 LYS 11 2.243 11.542 -13.638 128 HD3 LYS 11 HD3 LYS 11 3.468 10.457 -14.331 129 HE2 LYS 11 HE2 LYS 11 3.524 11.841 -16.383 130 HE3 LYS 11 HE3 LYS 11 2.310 12.929 -15.689 131 HZ1 LYS 11 HZ1 LYS 11 4.532 13.773 -15.389 132 HZ2 LYS 11 HZ2 LYS 11 3.864 13.429 -13.930 133 HZ3 LYS 11 HZ3 LYS 11 4.994 12.425 -14.579 134 H LEU 12 H LEU 12 -0.581 7.918 -16.870 135 HA LEU 12 HA LEU 12 0.336 8.572 -19.638 136 HB2 LEU 12 HB2 LEU 12 0.639 5.999 -18.048 137 HB3 LEU 12 HB3 LEU 12 1.342 6.346 -19.628 138 HG LEU 12 HG LEU 12 2.004 7.795 -17.022 139 HD11 LEU 12 HD11 LEU 12 3.589 5.811 -18.692 140 HD12 LEU 12 HD12 LEU 12 4.169 6.635 -17.227 141 HD13 LEU 12 HD13 LEU 12 2.826 5.476 -17.116 142 HD21 LEU 12 HD21 LEU 12 2.278 9.275 -18.995 143 HD22 LEU 12 HD22 LEU 12 3.856 8.794 -18.334 144 HD23 LEU 12 HD23 LEU 12 3.237 8.015 -19.809 145 H LEU 13 H LEU 13 -2.147 6.984 -17.703 146 HA LEU 13 HA LEU 13 -3.264 5.592 -20.030 147 HB2 LEU 13 HB2 LEU 13 -3.275 4.515 -17.829 148 HB3 LEU 13 HB3 LEU 13 -4.135 5.888 -17.125 149 HG LEU 13 HG LEU 13 -6.102 5.412 -18.560 150 HD11 LEU 13 HD11 LEU 13 -4.488 2.952 -19.377 151 HD12 LEU 13 HD12 LEU 13 -6.204 3.226 -19.744 152 HD13 LEU 13 HD13 LEU 13 -4.968 4.289 -20.450 153 HD21 LEU 13 HD21 LEU 13 -5.924 4.485 -16.290 154 HD22 LEU 13 HD22 LEU 13 -6.785 3.370 -17.377 155 HD23 LEU 13 HD23 LEU 13 -5.094 3.050 -16.932 156 H LYS 14 H LYS 14 -3.748 8.564 -18.225 157 HA LYS 14 HA LYS 14 -5.788 9.377 -20.230 158 HB2 LYS 14 HB2 LYS 14 -5.800 10.053 -17.263 159 HB3 LYS 14 HB3 LYS 14 -6.909 10.702 -18.486 160 HG2 LYS 14 HG2 LYS 14 -7.660 8.374 -18.999 161 HG3 LYS 14 HG3 LYS 14 -6.631 7.782 -17.671 162 HD2 LYS 14 HD2 LYS 14 -7.874 9.229 -16.082 163 HD3 LYS 14 HD3 LYS 14 -8.933 9.764 -17.406 164 HE2 LYS 14 HE2 LYS 14 -8.606 6.893 -16.442 165 HE3 LYS 14 HE3 LYS 14 -9.957 7.958 -16.039 166 HZ1 LYS 14 HZ1 LYS 14 -9.244 7.069 -18.754 167 HZ2 LYS 14 HZ2 LYS 14 -10.506 6.516 -17.858 168 HZ3 LYS 14 HZ3 LYS 14 -10.490 8.074 -18.375 169 HN1 NH2 15 HN1 NHE 15 -2.716 9.616 -19.688 170 HN2 NH2 15 HN2 NHE 15 -2.425 11.328 -19.874 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -1.865 1.413 1.819 2 H2 LYS 1 H2 LYS 1 -2.007 2.881 1.093 3 H3 LYS 1 H3 LYS 1 -1.228 2.763 2.534 4 HA LYS 1 HA LYS 1 0.330 3.042 0.755 5 HB2 LYS 1 HB2 LYS 1 1.793 1.160 1.283 6 HB3 LYS 1 HB3 LYS 1 1.013 1.767 2.751 7 HG2 LYS 1 HG2 LYS 1 -0.623 -0.084 2.657 8 HG3 LYS 1 HG3 LYS 1 0.123 -0.679 1.157 9 HD2 LYS 1 HD2 LYS 1 2.277 -0.981 2.356 10 HD3 LYS 1 HD3 LYS 1 1.510 -0.443 3.860 11 HE2 LYS 1 HE2 LYS 1 0.674 -2.869 2.206 12 HE3 LYS 1 HE3 LYS 1 1.646 -2.924 3.686 13 HZ1 LYS 1 HZ1 LYS 1 -1.113 -1.929 3.498 14 HZ2 LYS 1 HZ2 LYS 1 -0.649 -3.364 4.142 15 HZ3 LYS 1 HZ3 LYS 1 -0.204 -1.961 4.869 16 H LEU 2 H LEU 2 1.536 1.761 -0.966 17 HA LEU 2 HA LEU 2 1.534 0.962 -3.064 18 HB2 LEU 2 HB2 LEU 2 1.477 -1.088 -1.659 19 HB3 LEU 2 HB3 LEU 2 -0.275 -1.172 -1.894 20 HG LEU 2 HG LEU 2 0.073 -1.423 -4.353 21 HD11 LEU 2 HD11 LEU 2 2.226 -0.247 -4.601 22 HD12 LEU 2 HD12 LEU 2 3.025 -1.475 -3.585 23 HD13 LEU 2 HD13 LEU 2 2.361 -1.919 -5.173 24 HD21 LEU 2 HD21 LEU 2 1.673 -3.361 -2.637 25 HD22 LEU 2 HD22 LEU 2 -0.091 -3.399 -2.876 26 HD23 LEU 2 HD23 LEU 2 0.998 -3.691 -4.249 27 H LEU 3 H LEU 3 0.028 3.094 -3.078 28 HA LEU 3 HA LEU 3 -1.947 2.371 -5.149 29 HB2 LEU 3 HB2 LEU 3 -3.724 3.665 -4.236 30 HB3 LEU 3 HB3 LEU 3 -3.146 2.586 -2.974 31 HG LEU 3 HG LEU 3 -1.682 4.675 -2.245 32 HD11 LEU 3 HD11 LEU 3 -2.314 6.181 -4.139 33 HD12 LEU 3 HD12 LEU 3 -4.030 5.954 -3.727 34 HD13 LEU 3 HD13 LEU 3 -2.945 6.798 -2.605 35 HD21 LEU 3 HD21 LEU 3 -4.695 4.514 -1.842 36 HD22 LEU 3 HD22 LEU 3 -3.477 3.591 -0.933 37 HD23 LEU 3 HD23 LEU 3 -3.549 5.365 -0.784 38 H LYS 4 H LYS 4 0.434 4.593 -3.831 39 HA LYS 4 HA LYS 4 -0.125 6.755 -5.631 40 HB2 LYS 4 HB2 LYS 4 1.231 7.035 -3.589 41 HB3 LYS 4 HB3 LYS 4 2.414 5.870 -4.189 42 HG2 LYS 4 HG2 LYS 4 3.244 8.143 -4.457 43 HG3 LYS 4 HG3 LYS 4 3.008 7.405 -6.044 44 HD2 LYS 4 HD2 LYS 4 0.868 8.612 -6.312 45 HD3 LYS 4 HD3 LYS 4 1.045 9.291 -4.672 46 HE2 LYS 4 HE2 LYS 4 3.170 10.366 -5.364 47 HE3 LYS 4 HE3 LYS 4 2.955 9.722 -6.999 48 HZ1 LYS 4 HZ1 LYS 4 1.126 11.591 -5.635 49 HZ2 LYS 4 HZ2 LYS 4 2.188 11.989 -6.820 50 HZ3 LYS 4 HZ3 LYS 4 0.925 11.006 -7.163 51 H LEU 5 H LEU 5 1.510 3.665 -5.970 52 HA LEU 5 HA LEU 5 2.939 4.315 -8.401 53 HB2 LEU 5 HB2 LEU 5 2.023 1.732 -7.068 54 HB3 LEU 5 HB3 LEU 5 2.788 1.738 -8.656 55 HG LEU 5 HG LEU 5 4.773 2.905 -7.705 56 HD11 LEU 5 HD11 LEU 5 3.390 2.359 -5.043 57 HD12 LEU 5 HD12 LEU 5 5.097 2.809 -5.226 58 HD13 LEU 5 HD13 LEU 5 3.847 3.959 -5.705 59 HD21 LEU 5 HD21 LEU 5 5.648 0.896 -6.569 60 HD22 LEU 5 HD22 LEU 5 3.992 0.271 -6.391 61 HD23 LEU 5 HD23 LEU 5 4.699 0.461 -8.008 62 H LEU 6 H LEU 6 -0.420 3.628 -7.632 63 HA LEU 6 HA LEU 6 -1.105 2.768 -10.322 64 HB2 LEU 6 HB2 LEU 6 -2.913 3.834 -8.112 65 HB3 LEU 6 HB3 LEU 6 -3.411 2.918 -9.538 66 HG LEU 6 HG LEU 6 -1.594 1.862 -7.321 67 HD11 LEU 6 HD11 LEU 6 -3.553 0.494 -6.712 68 HD12 LEU 6 HD12 LEU 6 -3.942 2.223 -6.600 69 HD13 LEU 6 HD13 LEU 6 -4.507 1.276 -7.995 70 HD21 LEU 6 HD21 LEU 6 -1.139 0.785 -9.496 71 HD22 LEU 6 HD22 LEU 6 -1.972 -0.333 -8.407 72 HD23 LEU 6 HD23 LEU 6 -2.879 0.469 -9.713 73 H LYS 7 H LYS 7 -0.959 5.859 -8.564 74 HA LYS 7 HA LYS 7 -2.363 7.336 -10.640 75 HB2 LYS 7 HB2 LYS 7 -0.690 8.125 -8.241 76 HB3 LYS 7 HB3 LYS 7 -1.241 9.309 -9.431 77 HG2 LYS 7 HG2 LYS 7 -2.789 9.304 -7.603 78 HG3 LYS 7 HG3 LYS 7 -3.588 8.663 -9.043 79 HD2 LYS 7 HD2 LYS 7 -3.360 6.372 -8.195 80 HD3 LYS 7 HD3 LYS 7 -2.393 6.951 -6.823 81 HE2 LYS 7 HE2 LYS 7 -4.691 6.528 -6.113 82 HE3 LYS 7 HE3 LYS 7 -4.306 8.250 -5.988 83 HZ1 LYS 7 HZ1 LYS 7 -6.453 7.884 -6.971 84 HZ2 LYS 7 HZ2 LYS 7 -5.466 8.594 -8.072 85 HZ3 LYS 7 HZ3 LYS 7 -5.813 6.991 -8.188 86 H LYS 8 H LYS 8 0.964 6.336 -10.055 87 HA LYS 8 HA LYS 8 2.194 8.142 -11.934 88 HB2 LYS 8 HB2 LYS 8 3.449 6.988 -10.156 89 HB3 LYS 8 HB3 LYS 8 3.054 5.419 -10.872 90 HG2 LYS 8 HG2 LYS 8 4.332 5.967 -12.890 91 HG3 LYS 8 HG3 LYS 8 4.595 7.621 -12.308 92 HD2 LYS 8 HD2 LYS 8 6.596 6.284 -11.947 93 HD3 LYS 8 HD3 LYS 8 5.890 6.723 -10.383 94 HE2 LYS 8 HE2 LYS 8 4.834 4.501 -10.214 95 HE3 LYS 8 HE3 LYS 8 5.496 4.054 -11.799 96 HZ1 LYS 8 HZ1 LYS 8 7.083 4.717 -9.413 97 HZ2 LYS 8 HZ2 LYS 8 6.856 3.213 -10.035 98 HZ3 LYS 8 HZ3 LYS 8 7.700 4.338 -10.886 99 H LEU 9 H LEU 9 0.395 5.139 -12.271 100 HA LEU 9 HA LEU 9 1.251 4.818 -15.084 101 HB2 LEU 9 HB2 LEU 9 -0.625 3.238 -13.289 102 HB3 LEU 9 HB3 LEU 9 -0.229 2.811 -14.959 103 HG LEU 9 HG LEU 9 1.855 3.100 -12.757 104 HD11 LEU 9 HD11 LEU 9 0.518 0.611 -13.898 105 HD12 LEU 9 HD12 LEU 9 1.869 0.628 -12.735 106 HD13 LEU 9 HD13 LEU 9 0.279 1.262 -12.261 107 HD21 LEU 9 HD21 LEU 9 2.761 3.381 -15.024 108 HD22 LEU 9 HD22 LEU 9 3.252 1.809 -14.356 109 HD23 LEU 9 HD23 LEU 9 1.940 1.890 -15.552 110 H LEU 10 H LEU 10 -1.496 6.037 -13.167 111 HA LEU 10 HA LEU 10 -3.420 5.931 -15.294 112 HB2 LEU 10 HB2 LEU 10 -4.067 6.022 -12.981 113 HB3 LEU 10 HB3 LEU 10 -3.218 7.552 -12.726 114 HG LEU 10 HG LEU 10 -5.386 7.420 -14.825 115 HD11 LEU 10 HD11 LEU 10 -5.849 7.685 -11.825 116 HD12 LEU 10 HD12 LEU 10 -7.071 7.913 -13.097 117 HD13 LEU 10 HD13 LEU 10 -6.346 6.313 -12.844 118 HD21 LEU 10 HD21 LEU 10 -4.517 9.548 -12.798 119 HD22 LEU 10 HD22 LEU 10 -4.118 9.557 -14.527 120 HD23 LEU 10 HD23 LEU 10 -5.800 9.744 -14.012 121 H LYS 11 H LYS 11 -0.972 8.340 -14.342 122 HA LYS 11 HA LYS 11 -2.099 10.453 -15.944 123 HB2 LYS 11 HB2 LYS 11 0.042 11.583 -15.556 124 HB3 LYS 11 HB3 LYS 11 -0.625 10.905 -14.061 125 HG2 LYS 11 HG2 LYS 11 0.919 9.000 -14.202 126 HG3 LYS 11 HG3 LYS 11 1.530 9.567 -15.766 127 HD2 LYS 11 HD2 LYS 11 3.070 10.169 -13.946 128 HD3 LYS 11 HD3 LYS 11 2.402 11.614 -14.723 129 HE2 LYS 11 HE2 LYS 11 0.744 11.848 -12.907 130 HE3 LYS 11 HE3 LYS 11 1.372 10.394 -12.123 131 HZ1 LYS 11 HZ1 LYS 11 2.911 12.857 -12.613 132 HZ2 LYS 11 HZ2 LYS 11 2.276 12.397 -11.167 133 HZ3 LYS 11 HZ3 LYS 11 3.475 11.512 -11.860 134 H LEU 12 H LEU 12 -0.539 7.565 -16.870 135 HA LEU 12 HA LEU 12 0.566 8.683 -19.353 136 HB2 LEU 12 HB2 LEU 12 1.748 6.882 -18.193 137 HB3 LEU 12 HB3 LEU 12 0.306 5.863 -18.257 138 HG LEU 12 HG LEU 12 0.430 5.825 -20.743 139 HD11 LEU 12 HD11 LEU 12 3.047 7.335 -20.292 140 HD12 LEU 12 HD12 LEU 12 2.514 6.635 -21.831 141 HD13 LEU 12 HD13 LEU 12 1.600 7.973 -21.115 142 HD21 LEU 12 HD21 LEU 12 1.499 4.066 -19.384 143 HD22 LEU 12 HD22 LEU 12 2.420 4.382 -20.868 144 HD23 LEU 12 HD23 LEU 12 2.995 5.022 -19.312 145 H LEU 13 H LEU 13 -2.388 7.137 -18.172 146 HA LEU 13 HA LEU 13 -3.380 6.671 -20.925 147 HB2 LEU 13 HB2 LEU 13 -4.369 6.013 -18.125 148 HB3 LEU 13 HB3 LEU 13 -5.415 5.902 -19.540 149 HG LEU 13 HG LEU 13 -3.822 4.327 -20.615 150 HD11 LEU 13 HD11 LEU 13 -2.452 4.387 -17.892 151 HD12 LEU 13 HD12 LEU 13 -2.159 3.171 -19.157 152 HD13 LEU 13 HD13 LEU 13 -1.725 4.857 -19.455 153 HD21 LEU 13 HD21 LEU 13 -5.788 3.547 -19.358 154 HD22 LEU 13 HD22 LEU 13 -4.431 2.412 -19.192 155 HD23 LEU 13 HD23 LEU 13 -4.824 3.522 -17.858 156 H LYS 14 H LYS 14 -3.840 8.814 -18.119 157 HA LYS 14 HA LYS 14 -6.003 10.263 -19.544 158 HB2 LYS 14 HB2 LYS 14 -4.958 10.561 -16.709 159 HB3 LYS 14 HB3 LYS 14 -6.371 11.380 -17.397 160 HG2 LYS 14 HG2 LYS 14 -6.058 8.369 -16.999 161 HG3 LYS 14 HG3 LYS 14 -7.039 9.467 -16.009 162 HD2 LYS 14 HD2 LYS 14 -8.411 10.027 -18.006 163 HD3 LYS 14 HD3 LYS 14 -7.478 8.853 -18.965 164 HE2 LYS 14 HE2 LYS 14 -8.147 7.050 -17.416 165 HE3 LYS 14 HE3 LYS 14 -9.076 8.208 -16.453 166 HZ1 LYS 14 HZ1 LYS 14 -10.447 8.616 -18.389 167 HZ2 LYS 14 HZ2 LYS 14 -9.588 7.527 -19.270 168 HZ3 LYS 14 HZ3 LYS 14 -10.477 7.029 -17.984 169 HN1 NH2 15 HN1 NHE 15 -2.717 10.306 -19.617 170 HN2 NH2 15 HN2 NHE 15 -2.455 12.027 -19.828 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 2.911 2.583 0.589 2 H2 LYS 1 H2 LYS 1 2.306 1.286 -0.213 3 H3 LYS 1 H3 LYS 1 1.685 2.788 -0.478 4 HA LYS 1 HA LYS 1 3.716 3.564 -1.421 5 HB2 LYS 1 HB2 LYS 1 4.673 0.727 -0.950 6 HB3 LYS 1 HB3 LYS 1 5.511 1.939 -1.937 7 HG2 LYS 1 HG2 LYS 1 5.707 3.421 0.038 8 HG3 LYS 1 HG3 LYS 1 4.864 2.210 1.034 9 HD2 LYS 1 HD2 LYS 1 6.639 0.553 0.510 10 HD3 LYS 1 HD3 LYS 1 7.511 1.784 -0.422 11 HE2 LYS 1 HE2 LYS 1 6.829 1.959 2.543 12 HE3 LYS 1 HE3 LYS 1 8.407 1.515 1.880 13 HZ1 LYS 1 HZ1 LYS 1 8.510 3.690 0.851 14 HZ2 LYS 1 HZ2 LYS 1 7.056 4.109 1.492 15 HZ3 LYS 1 HZ3 LYS 1 8.337 3.822 2.478 16 H LEU 2 H LEU 2 2.674 0.164 -2.134 17 HA LEU 2 HA LEU 2 3.007 0.528 -4.945 18 HB2 LEU 2 HB2 LEU 2 1.384 -1.562 -3.464 19 HB3 LEU 2 HB3 LEU 2 1.982 -1.679 -5.126 20 HG LEU 2 HG LEU 2 3.717 -1.534 -2.618 21 HD11 LEU 2 HD11 LEU 2 3.138 -3.813 -4.551 22 HD12 LEU 2 HD12 LEU 2 4.259 -3.867 -3.170 23 HD13 LEU 2 HD13 LEU 2 2.521 -3.678 -2.886 24 HD21 LEU 2 HD21 LEU 2 4.451 -1.912 -5.557 25 HD22 LEU 2 HD22 LEU 2 4.858 -0.502 -4.549 26 HD23 LEU 2 HD23 LEU 2 5.571 -2.080 -4.184 27 H LEU 3 H LEU 3 0.596 1.924 -3.073 28 HA LEU 3 HA LEU 3 -1.558 1.498 -5.071 29 HB2 LEU 3 HB2 LEU 3 -1.629 3.193 -2.560 30 HB3 LEU 3 HB3 LEU 3 -3.003 2.544 -3.481 31 HG LEU 3 HG LEU 3 -0.955 0.940 -1.897 32 HD11 LEU 3 HD11 LEU 3 -2.841 0.492 -0.367 33 HD12 LEU 3 HD12 LEU 3 -2.505 2.233 -0.490 34 HD13 LEU 3 HD13 LEU 3 -3.892 1.541 -1.358 35 HD21 LEU 3 HD21 LEU 3 -3.497 0.050 -3.345 36 HD22 LEU 3 HD22 LEU 3 -1.835 -0.357 -3.827 37 HD23 LEU 3 HD23 LEU 3 -2.496 -0.980 -2.303 38 H LYS 4 H LYS 4 0.703 3.910 -3.840 39 HA LYS 4 HA LYS 4 -0.364 6.136 -5.336 40 HB2 LYS 4 HB2 LYS 4 1.071 6.430 -3.363 41 HB3 LYS 4 HB3 LYS 4 2.416 5.619 -4.192 42 HG2 LYS 4 HG2 LYS 4 2.515 7.392 -5.867 43 HG3 LYS 4 HG3 LYS 4 1.089 8.188 -5.154 44 HD2 LYS 4 HD2 LYS 4 2.321 8.520 -3.042 45 HD3 LYS 4 HD3 LYS 4 3.742 7.705 -3.734 46 HE2 LYS 4 HE2 LYS 4 3.869 9.428 -5.507 47 HE3 LYS 4 HE3 LYS 4 2.447 10.237 -4.829 48 HZ1 LYS 4 HZ1 LYS 4 3.699 10.594 -2.804 49 HZ2 LYS 4 HZ2 LYS 4 5.023 9.853 -3.443 50 HZ3 LYS 4 HZ3 LYS 4 4.473 11.264 -4.087 51 H LEU 5 H LEU 5 1.595 3.353 -6.131 52 HA LEU 5 HA LEU 5 2.794 4.466 -8.508 53 HB2 LEU 5 HB2 LEU 5 2.133 1.575 -7.829 54 HB3 LEU 5 HB3 LEU 5 3.225 2.120 -9.114 55 HG LEU 5 HG LEU 5 3.627 2.533 -6.122 56 HD11 LEU 5 HD11 LEU 5 5.521 1.006 -6.447 57 HD12 LEU 5 HD12 LEU 5 4.000 0.223 -6.931 58 HD13 LEU 5 HD13 LEU 5 5.121 0.841 -8.168 59 HD21 LEU 5 HD21 LEU 5 5.870 3.395 -6.803 60 HD22 LEU 5 HD22 LEU 5 5.363 3.308 -8.507 61 HD23 LEU 5 HD23 LEU 5 4.567 4.440 -7.379 62 H LEU 6 H LEU 6 -0.436 3.376 -7.734 63 HA LEU 6 HA LEU 6 -1.184 2.806 -10.473 64 HB2 LEU 6 HB2 LEU 6 -2.923 3.517 -8.082 65 HB3 LEU 6 HB3 LEU 6 -3.472 2.758 -9.583 66 HG LEU 6 HG LEU 6 -1.490 1.533 -7.613 67 HD11 LEU 6 HD11 LEU 6 -4.420 0.923 -8.165 68 HD12 LEU 6 HD12 LEU 6 -3.359 0.011 -7.065 69 HD13 LEU 6 HD13 LEU 6 -3.767 1.695 -6.694 70 HD21 LEU 6 HD21 LEU 6 -1.887 -0.537 -8.931 71 HD22 LEU 6 HD22 LEU 6 -2.863 0.393 -10.088 72 HD23 LEU 6 HD23 LEU 6 -1.124 0.730 -9.914 73 H LYS 7 H LYS 7 -0.955 5.680 -8.456 74 HA LYS 7 HA LYS 7 -2.473 7.353 -10.331 75 HB2 LYS 7 HB2 LYS 7 -0.900 7.907 -7.790 76 HB3 LYS 7 HB3 LYS 7 -1.541 9.184 -8.812 77 HG2 LYS 7 HG2 LYS 7 -3.079 8.785 -7.013 78 HG3 LYS 7 HG3 LYS 7 -3.834 8.292 -8.536 79 HD2 LYS 7 HD2 LYS 7 -3.462 5.937 -8.013 80 HD3 LYS 7 HD3 LYS 7 -2.480 6.375 -6.586 81 HE2 LYS 7 HE2 LYS 7 -4.463 7.460 -5.577 82 HE3 LYS 7 HE3 LYS 7 -5.429 7.023 -6.996 83 HZ1 LYS 7 HZ1 LYS 7 -4.115 5.112 -5.178 84 HZ2 LYS 7 HZ2 LYS 7 -5.719 5.475 -5.194 85 HZ3 LYS 7 HZ3 LYS 7 -5.036 4.720 -6.481 86 H LYS 8 H LYS 8 0.846 6.363 -9.754 87 HA LYS 8 HA LYS 8 2.095 8.491 -11.273 88 HB2 LYS 8 HB2 LYS 8 3.275 7.233 -9.535 89 HB3 LYS 8 HB3 LYS 8 3.043 5.719 -10.429 90 HG2 LYS 8 HG2 LYS 8 4.421 6.549 -12.285 91 HG3 LYS 8 HG3 LYS 8 4.582 8.124 -11.478 92 HD2 LYS 8 HD2 LYS 8 5.760 7.050 -9.595 93 HD3 LYS 8 HD3 LYS 8 5.532 5.457 -10.338 94 HE2 LYS 8 HE2 LYS 8 7.802 6.277 -10.773 95 HE3 LYS 8 HE3 LYS 8 6.884 6.151 -12.282 96 HZ1 LYS 8 HZ1 LYS 8 7.333 8.630 -10.757 97 HZ2 LYS 8 HZ2 LYS 8 8.114 8.199 -12.135 98 HZ3 LYS 8 HZ3 LYS 8 6.507 8.523 -12.175 99 H LEU 9 H LEU 9 0.601 5.406 -12.077 100 HA LEU 9 HA LEU 9 1.653 5.544 -14.839 101 HB2 LEU 9 HB2 LEU 9 -0.012 3.462 -13.374 102 HB3 LEU 9 HB3 LEU 9 0.544 3.316 -15.050 103 HG LEU 9 HG LEU 9 2.424 3.676 -12.676 104 HD11 LEU 9 HD11 LEU 9 1.602 1.153 -14.180 105 HD12 LEU 9 HD12 LEU 9 2.866 1.259 -12.927 106 HD13 LEU 9 HD13 LEU 9 1.171 1.553 -12.501 107 HD21 LEU 9 HD21 LEU 9 3.394 4.374 -14.831 108 HD22 LEU 9 HD22 LEU 9 4.116 2.848 -14.285 109 HD23 LEU 9 HD23 LEU 9 2.881 2.831 -15.565 110 H LEU 10 H LEU 10 -1.048 6.697 -13.082 111 HA LEU 10 HA LEU 10 -3.122 6.237 -15.000 112 HB2 LEU 10 HB2 LEU 10 -3.619 6.740 -12.715 113 HB3 LEU 10 HB3 LEU 10 -2.704 8.251 -12.758 114 HG LEU 10 HG LEU 10 -5.026 7.942 -14.657 115 HD11 LEU 10 HD11 LEU 10 -5.238 8.589 -11.682 116 HD12 LEU 10 HD12 LEU 10 -6.549 8.742 -12.869 117 HD13 LEU 10 HD13 LEU 10 -5.894 7.142 -12.487 118 HD21 LEU 10 HD21 LEU 10 -3.628 10.016 -14.710 119 HD22 LEU 10 HD22 LEU 10 -5.268 10.363 -14.133 120 HD23 LEU 10 HD23 LEU 10 -3.931 10.245 -12.974 121 H LYS 11 H LYS 11 -0.523 8.618 -14.796 122 HA LYS 11 HA LYS 11 -1.694 10.545 -16.573 123 HB2 LYS 11 HB2 LYS 11 0.546 11.500 -16.631 124 HB3 LYS 11 HB3 LYS 11 0.145 11.017 -14.978 125 HG2 LYS 11 HG2 LYS 11 1.398 8.841 -15.395 126 HG3 LYS 11 HG3 LYS 11 1.935 9.520 -16.941 127 HD2 LYS 11 HD2 LYS 11 2.453 10.680 -14.168 128 HD3 LYS 11 HD3 LYS 11 3.637 9.831 -15.170 129 HE2 LYS 11 HE2 LYS 11 2.274 12.457 -15.909 130 HE3 LYS 11 HE3 LYS 11 3.903 12.293 -15.244 131 HZ1 LYS 11 HZ1 LYS 11 2.993 11.168 -17.813 132 HZ2 LYS 11 HZ2 LYS 11 3.952 12.489 -17.623 133 HZ3 LYS 11 HZ3 LYS 11 4.502 11.008 -17.177 134 H LEU 12 H LEU 12 -0.522 7.386 -17.167 135 HA LEU 12 HA LEU 12 0.424 7.963 -19.885 136 HB2 LEU 12 HB2 LEU 12 -0.053 5.308 -18.481 137 HB3 LEU 12 HB3 LEU 12 0.841 5.558 -19.985 138 HG LEU 12 HG LEU 12 1.646 6.674 -17.255 139 HD11 LEU 12 HD11 LEU 12 2.770 4.377 -18.912 140 HD12 LEU 12 HD12 LEU 12 3.438 4.997 -17.377 141 HD13 LEU 12 HD13 LEU 12 1.838 4.227 -17.406 142 HD21 LEU 12 HD21 LEU 12 2.436 8.098 -19.121 143 HD22 LEU 12 HD22 LEU 12 3.784 7.199 -18.404 144 HD23 LEU 12 HD23 LEU 12 3.079 6.659 -19.947 145 H LEU 13 H LEU 13 -2.628 7.541 -18.434 146 HA LEU 13 HA LEU 13 -3.785 6.822 -21.075 147 HB2 LEU 13 HB2 LEU 13 -4.609 5.737 -18.351 148 HB3 LEU 13 HB3 LEU 13 -5.495 5.452 -19.857 149 HG LEU 13 HG LEU 13 -2.605 4.606 -19.389 150 HD11 LEU 13 HD11 LEU 13 -5.196 3.004 -19.263 151 HD12 LEU 13 HD12 LEU 13 -3.552 2.336 -19.143 152 HD13 LEU 13 HD13 LEU 13 -4.158 3.422 -17.880 153 HD21 LEU 13 HD21 LEU 13 -3.209 4.902 -21.783 154 HD22 LEU 13 HD22 LEU 13 -3.022 3.184 -21.373 155 HD23 LEU 13 HD23 LEU 13 -4.646 3.880 -21.541 156 H LYS 14 H LYS 14 -3.603 9.087 -18.625 157 HA LYS 14 HA LYS 14 -6.082 10.355 -19.637 158 HB2 LYS 14 HB2 LYS 14 -5.269 10.221 -16.707 159 HB3 LYS 14 HB3 LYS 14 -6.613 11.168 -17.379 160 HG2 LYS 14 HG2 LYS 14 -7.618 9.032 -18.249 161 HG3 LYS 14 HG3 LYS 14 -6.328 8.132 -17.427 162 HD2 LYS 14 HD2 LYS 14 -8.355 8.132 -16.068 163 HD3 LYS 14 HD3 LYS 14 -7.089 9.061 -15.249 164 HE2 LYS 14 HE2 LYS 14 -8.102 11.167 -16.071 165 HE3 LYS 14 HE3 LYS 14 -9.337 10.235 -16.939 166 HZ1 LYS 14 HZ1 LYS 14 -8.946 10.263 -14.020 167 HZ2 LYS 14 HZ2 LYS 14 -10.138 11.037 -14.834 168 HZ3 LYS 14 HZ3 LYS 14 -10.090 9.394 -14.824 169 HN1 NH2 15 HN1 NHE 15 -2.978 10.513 -19.901 170 HN2 NH2 15 HN2 NHE 15 -2.672 12.223 -19.733 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 4.548 2.917 -0.881 2 H2 LYS 1 H2 LYS 1 4.059 3.387 0.623 3 H3 LYS 1 H3 LYS 1 3.335 4.012 -0.711 4 HA LYS 1 HA LYS 1 3.247 1.203 0.124 5 HB2 LYS 1 HB2 LYS 1 1.103 3.360 0.180 6 HB3 LYS 1 HB3 LYS 1 0.800 1.638 0.448 7 HG2 LYS 1 HG2 LYS 1 2.618 3.383 2.159 8 HG3 LYS 1 HG3 LYS 1 0.971 2.887 2.568 9 HD2 LYS 1 HD2 LYS 1 1.708 0.483 2.396 10 HD3 LYS 1 HD3 LYS 1 3.377 1.042 2.205 11 HE2 LYS 1 HE2 LYS 1 1.555 1.634 4.572 12 HE3 LYS 1 HE3 LYS 1 2.853 0.434 4.545 13 HZ1 LYS 1 HZ1 LYS 1 4.412 2.231 4.171 14 HZ2 LYS 1 HZ2 LYS 1 3.197 3.344 4.204 15 HZ3 LYS 1 HZ3 LYS 1 3.564 2.486 5.554 16 H LEU 2 H LEU 2 1.773 -0.132 -1.124 17 HA LEU 2 HA LEU 2 2.317 0.253 -3.941 18 HB2 LEU 2 HB2 LEU 2 0.800 -1.943 -2.495 19 HB3 LEU 2 HB3 LEU 2 1.379 -2.002 -4.164 20 HG LEU 2 HG LEU 2 3.156 -1.757 -1.694 21 HD11 LEU 2 HD11 LEU 2 2.028 -3.951 -1.913 22 HD12 LEU 2 HD12 LEU 2 2.619 -4.092 -3.581 23 HD13 LEU 2 HD13 LEU 2 3.771 -4.078 -2.222 24 HD21 LEU 2 HD21 LEU 2 3.818 -2.161 -4.646 25 HD22 LEU 2 HD22 LEU 2 4.196 -0.716 -3.677 26 HD23 LEU 2 HD23 LEU 2 4.985 -2.261 -3.308 27 H LEU 3 H LEU 3 0.665 2.347 -3.247 28 HA LEU 3 HA LEU 3 -1.528 1.706 -5.098 29 HB2 LEU 3 HB2 LEU 3 -3.274 2.442 -3.828 30 HB3 LEU 3 HB3 LEU 3 -2.319 1.557 -2.639 31 HG LEU 3 HG LEU 3 -2.283 4.597 -3.029 32 HD11 LEU 3 HD11 LEU 3 -3.673 2.865 -0.943 33 HD12 LEU 3 HD12 LEU 3 -3.621 4.645 -0.960 34 HD13 LEU 3 HD13 LEU 3 -4.471 3.774 -2.247 35 HD21 LEU 3 HD21 LEU 3 -0.208 3.758 -1.977 36 HD22 LEU 3 HD22 LEU 3 -1.214 4.585 -0.776 37 HD23 LEU 3 HD23 LEU 3 -1.173 2.812 -0.812 38 H LYS 4 H LYS 4 0.885 3.912 -3.915 39 HA LYS 4 HA LYS 4 -0.171 6.237 -5.286 40 HB2 LYS 4 HB2 LYS 4 1.402 6.434 -3.402 41 HB3 LYS 4 HB3 LYS 4 2.612 5.491 -4.282 42 HG2 LYS 4 HG2 LYS 4 3.152 7.876 -4.365 43 HG3 LYS 4 HG3 LYS 4 2.817 7.248 -5.977 44 HD2 LYS 4 HD2 LYS 4 1.773 9.449 -5.677 45 HD3 LYS 4 HD3 LYS 4 0.537 8.208 -5.899 46 HE2 LYS 4 HE2 LYS 4 -0.120 9.743 -4.124 47 HE3 LYS 4 HE3 LYS 4 0.166 8.135 -3.444 48 HZ1 LYS 4 HZ1 LYS 4 2.332 8.908 -2.731 49 HZ2 LYS 4 HZ2 LYS 4 2.060 10.394 -3.381 50 HZ3 LYS 4 HZ3 LYS 4 1.156 9.876 -2.113 51 H LEU 5 H LEU 5 1.752 3.408 -6.186 52 HA LEU 5 HA LEU 5 2.767 4.526 -8.611 53 HB2 LEU 5 HB2 LEU 5 3.523 2.412 -9.132 54 HB3 LEU 5 HB3 LEU 5 3.556 2.418 -7.366 55 HG LEU 5 HG LEU 5 1.321 1.205 -9.067 56 HD11 LEU 5 HD11 LEU 5 2.351 -0.963 -8.497 57 HD12 LEU 5 HD12 LEU 5 3.462 0.048 -9.439 58 HD13 LEU 5 HD13 LEU 5 3.687 -0.119 -7.676 59 HD21 LEU 5 HD21 LEU 5 0.609 1.759 -6.753 60 HD22 LEU 5 HD22 LEU 5 0.756 0.009 -6.969 61 HD23 LEU 5 HD23 LEU 5 2.038 0.901 -6.116 62 H LEU 6 H LEU 6 -0.407 3.455 -7.675 63 HA LEU 6 HA LEU 6 -1.322 2.792 -10.340 64 HB2 LEU 6 HB2 LEU 6 -2.923 3.687 -7.911 65 HB3 LEU 6 HB3 LEU 6 -3.557 2.864 -9.344 66 HG LEU 6 HG LEU 6 -1.557 1.686 -7.367 67 HD11 LEU 6 HD11 LEU 6 -3.831 1.954 -6.453 68 HD12 LEU 6 HD12 LEU 6 -4.498 1.096 -7.862 69 HD13 LEU 6 HD13 LEU 6 -3.437 0.239 -6.722 70 HD21 LEU 6 HD21 LEU 6 -1.242 0.771 -9.639 71 HD22 LEU 6 HD22 LEU 6 -2.014 -0.435 -8.589 72 HD23 LEU 6 HD23 LEU 6 -2.990 0.465 -9.776 73 H LYS 7 H LYS 7 -0.966 5.773 -8.467 74 HA LYS 7 HA LYS 7 -2.496 7.353 -10.422 75 HB2 LYS 7 HB2 LYS 7 -0.964 8.010 -7.884 76 HB3 LYS 7 HB3 LYS 7 -1.575 9.258 -8.972 77 HG2 LYS 7 HG2 LYS 7 -3.147 8.951 -7.178 78 HG3 LYS 7 HG3 LYS 7 -3.878 8.421 -8.696 79 HD2 LYS 7 HD2 LYS 7 -3.498 6.073 -8.107 80 HD3 LYS 7 HD3 LYS 7 -2.640 6.554 -6.629 81 HE2 LYS 7 HE2 LYS 7 -5.560 7.141 -7.276 82 HE3 LYS 7 HE3 LYS 7 -4.983 5.877 -6.186 83 HZ1 LYS 7 HZ1 LYS 7 -4.568 8.770 -5.805 84 HZ2 LYS 7 HZ2 LYS 7 -5.640 7.838 -4.990 85 HZ3 LYS 7 HZ3 LYS 7 -4.026 7.586 -4.801 86 H LYS 8 H LYS 8 0.829 6.414 -9.767 87 HA LYS 8 HA LYS 8 2.057 8.466 -11.387 88 HB2 LYS 8 HB2 LYS 8 3.244 7.266 -9.609 89 HB3 LYS 8 HB3 LYS 8 3.004 5.725 -10.446 90 HG2 LYS 8 HG2 LYS 8 4.388 6.491 -12.331 91 HG3 LYS 8 HG3 LYS 8 4.580 8.083 -11.554 92 HD2 LYS 8 HD2 LYS 8 5.694 7.005 -9.628 93 HD3 LYS 8 HD3 LYS 8 5.499 5.414 -10.409 94 HE2 LYS 8 HE2 LYS 8 6.856 6.185 -12.320 95 HE3 LYS 8 HE3 LYS 8 7.045 7.775 -11.561 96 HZ1 LYS 8 HZ1 LYS 8 8.006 5.220 -10.446 97 HZ2 LYS 8 HZ2 LYS 8 8.939 6.377 -11.148 98 HZ3 LYS 8 HZ3 LYS 8 8.170 6.696 -9.733 99 H LEU 9 H LEU 9 0.555 5.350 -12.058 100 HA LEU 9 HA LEU 9 1.591 5.368 -14.827 101 HB2 LEU 9 HB2 LEU 9 -0.111 3.397 -13.257 102 HB3 LEU 9 HB3 LEU 9 0.403 3.157 -14.935 103 HG LEU 9 HG LEU 9 2.337 3.557 -12.610 104 HD11 LEU 9 HD11 LEU 9 1.448 1.005 -14.017 105 HD12 LEU 9 HD12 LEU 9 2.711 1.129 -12.766 106 HD13 LEU 9 HD13 LEU 9 1.022 1.481 -12.353 107 HD21 LEU 9 HD21 LEU 9 2.731 2.583 -15.469 108 HD22 LEU 9 HD22 LEU 9 3.283 4.149 -14.813 109 HD23 LEU 9 HD23 LEU 9 3.984 2.637 -14.215 110 H LEU 10 H LEU 10 -1.114 6.578 -13.085 111 HA LEU 10 HA LEU 10 -3.170 6.125 -15.037 112 HB2 LEU 10 HB2 LEU 10 -3.702 6.566 -12.754 113 HB3 LEU 10 HB3 LEU 10 -2.830 8.105 -12.748 114 HG LEU 10 HG LEU 10 -5.113 7.755 -14.691 115 HD11 LEU 10 HD11 LEU 10 -5.393 8.359 -11.717 116 HD12 LEU 10 HD12 LEU 10 -6.688 8.486 -12.931 117 HD13 LEU 10 HD13 LEU 10 -5.980 6.904 -12.548 118 HD21 LEU 10 HD21 LEU 10 -3.761 9.876 -14.690 119 HD22 LEU 10 HD22 LEU 10 -5.430 10.161 -14.160 120 HD23 LEU 10 HD23 LEU 10 -4.119 10.074 -12.962 121 H LYS 11 H LYS 11 -0.624 8.554 -14.712 122 HA LYS 11 HA LYS 11 -1.804 10.499 -16.461 123 HB2 LYS 11 HB2 LYS 11 0.398 11.525 -16.429 124 HB3 LYS 11 HB3 LYS 11 -0.015 10.963 -14.803 125 HG2 LYS 11 HG2 LYS 11 1.347 8.884 -15.231 126 HG3 LYS 11 HG3 LYS 11 1.816 9.560 -16.801 127 HD2 LYS 11 HD2 LYS 11 2.773 11.546 -15.631 128 HD3 LYS 11 HD3 LYS 11 2.374 10.794 -14.069 129 HE2 LYS 11 HE2 LYS 11 3.797 8.857 -14.628 130 HE3 LYS 11 HE3 LYS 11 4.188 9.594 -16.198 131 HZ1 LYS 11 HZ1 LYS 11 4.839 10.740 -13.566 132 HZ2 LYS 11 HZ2 LYS 11 5.905 10.006 -14.584 133 HZ3 LYS 11 HZ3 LYS 11 5.193 11.421 -15.016 134 H LEU 12 H LEU 12 -0.502 7.399 -17.113 135 HA LEU 12 HA LEU 12 0.540 8.054 -19.764 136 HB2 LEU 12 HB2 LEU 12 -0.005 5.358 -18.486 137 HB3 LEU 12 HB3 LEU 12 0.987 5.666 -19.919 138 HG LEU 12 HG LEU 12 1.591 6.677 -17.100 139 HD11 LEU 12 HD11 LEU 12 2.872 4.482 -18.781 140 HD12 LEU 12 HD12 LEU 12 3.442 5.050 -17.193 141 HD13 LEU 12 HD13 LEU 12 1.865 4.251 -17.330 142 HD21 LEU 12 HD21 LEU 12 2.475 8.199 -18.842 143 HD22 LEU 12 HD22 LEU 12 3.790 7.297 -18.072 144 HD23 LEU 12 HD23 LEU 12 3.216 6.817 -19.685 145 H LEU 13 H LEU 13 -2.575 7.560 -18.461 146 HA LEU 13 HA LEU 13 -3.618 6.947 -21.176 147 HB2 LEU 13 HB2 LEU 13 -4.534 5.724 -18.544 148 HB3 LEU 13 HB3 LEU 13 -5.355 5.502 -20.094 149 HG LEU 13 HG LEU 13 -2.480 4.658 -19.554 150 HD11 LEU 13 HD11 LEU 13 -5.043 3.023 -19.601 151 HD12 LEU 13 HD12 LEU 13 -3.394 2.374 -19.454 152 HD13 LEU 13 HD13 LEU 13 -4.060 3.394 -18.162 153 HD21 LEU 13 HD21 LEU 13 -4.424 4.022 -21.822 154 HD22 LEU 13 HD22 LEU 13 -2.987 5.055 -21.949 155 HD23 LEU 13 HD23 LEU 13 -2.803 3.319 -21.619 156 H LYS 14 H LYS 14 -3.576 9.086 -18.609 157 HA LYS 14 HA LYS 14 -6.049 10.354 -19.638 158 HB2 LYS 14 HB2 LYS 14 -5.328 10.111 -16.690 159 HB3 LYS 14 HB3 LYS 14 -6.676 11.045 -17.368 160 HG2 LYS 14 HG2 LYS 14 -7.590 8.928 -18.360 161 HG3 LYS 14 HG3 LYS 14 -6.312 8.028 -17.513 162 HD2 LYS 14 HD2 LYS 14 -7.161 8.883 -15.339 163 HD3 LYS 14 HD3 LYS 14 -8.431 9.780 -16.203 164 HE2 LYS 14 HE2 LYS 14 -9.280 7.636 -17.138 165 HE3 LYS 14 HE3 LYS 14 -8.026 6.752 -16.256 166 HZ1 LYS 14 HZ1 LYS 14 -10.112 6.743 -15.072 167 HZ2 LYS 14 HZ2 LYS 14 -8.994 7.569 -14.207 168 HZ3 LYS 14 HZ3 LYS 14 -10.163 8.379 -15.037 169 HN1 NH2 15 HN1 NHE 15 -2.931 10.595 -19.785 170 HN2 NH2 15 HN2 NHE 15 -2.680 12.304 -19.529 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 0.924 -1.247 0.774 2 H2 LYS 1 H2 LYS 1 0.520 0.316 0.490 3 H3 LYS 1 H3 LYS 1 1.793 -0.033 1.471 4 HA LYS 1 HA LYS 1 2.579 0.714 -0.660 5 HB2 LYS 1 HB2 LYS 1 3.028 -2.260 -0.166 6 HB3 LYS 1 HB3 LYS 1 4.025 -1.220 -1.199 7 HG2 LYS 1 HG2 LYS 1 4.584 0.196 0.766 8 HG3 LYS 1 HG3 LYS 1 3.632 -0.891 1.807 9 HD2 LYS 1 HD2 LYS 1 5.093 -2.790 1.142 10 HD3 LYS 1 HD3 LYS 1 6.065 -1.687 0.148 11 HE2 LYS 1 HE2 LYS 1 5.642 -1.453 3.149 12 HE3 LYS 1 HE3 LYS 1 7.082 -2.127 2.367 13 HZ1 LYS 1 HZ1 LYS 1 7.404 0.163 2.973 14 HZ2 LYS 1 HZ2 LYS 1 7.447 0.013 1.343 15 HZ3 LYS 1 HZ3 LYS 1 6.110 0.637 2.076 16 H LEU 2 H LEU 2 3.052 -0.188 -2.943 17 HA LEU 2 HA LEU 2 2.265 -0.586 -5.011 18 HB2 LEU 2 HB2 LEU 2 0.698 -2.819 -3.684 19 HB3 LEU 2 HB3 LEU 2 1.138 -2.716 -5.394 20 HG LEU 2 HG LEU 2 3.102 -2.916 -3.065 21 HD11 LEU 2 HD11 LEU 2 1.799 -4.976 -3.422 22 HD12 LEU 2 HD12 LEU 2 2.232 -4.960 -5.147 23 HD13 LEU 2 HD13 LEU 2 3.490 -5.195 -3.917 24 HD21 LEU 2 HD21 LEU 2 3.526 -3.008 -6.090 25 HD22 LEU 2 HD22 LEU 2 4.082 -1.719 -4.992 26 HD23 LEU 2 HD23 LEU 2 4.767 -3.349 -4.867 27 H LEU 3 H LEU 3 0.892 1.509 -3.763 28 HA LEU 3 HA LEU 3 -1.548 1.340 -5.421 29 HB2 LEU 3 HB2 LEU 3 -3.030 2.041 -3.844 30 HB3 LEU 3 HB3 LEU 3 -2.038 0.926 -2.912 31 HG LEU 3 HG LEU 3 -1.746 3.979 -2.921 32 HD11 LEU 3 HD11 LEU 3 -3.888 3.231 -1.945 33 HD12 LEU 3 HD12 LEU 3 -3.014 2.103 -0.885 34 HD13 LEU 3 HD13 LEU 3 -2.788 3.856 -0.699 35 HD21 LEU 3 HD21 LEU 3 -0.528 1.824 -1.136 36 HD22 LEU 3 HD22 LEU 3 0.360 2.839 -2.308 37 HD23 LEU 3 HD23 LEU 3 -0.382 3.579 -0.884 38 H LYS 4 H LYS 4 1.202 3.146 -4.317 39 HA LYS 4 HA LYS 4 0.220 5.716 -5.235 40 HB2 LYS 4 HB2 LYS 4 2.011 5.535 -3.552 41 HB3 LYS 4 HB3 LYS 4 3.019 4.625 -4.682 42 HG2 LYS 4 HG2 LYS 4 3.782 6.932 -4.549 43 HG3 LYS 4 HG3 LYS 4 3.181 6.573 -6.172 44 HD2 LYS 4 HD2 LYS 4 2.452 8.790 -5.434 45 HD3 LYS 4 HD3 LYS 4 1.046 7.734 -5.632 46 HE2 LYS 4 HE2 LYS 4 0.979 7.324 -3.205 47 HE3 LYS 4 HE3 LYS 4 2.448 8.290 -2.981 48 HZ1 LYS 4 HZ1 LYS 4 1.246 10.195 -3.795 49 HZ2 LYS 4 HZ2 LYS 4 -0.127 9.307 -3.992 50 HZ3 LYS 4 HZ3 LYS 4 0.484 9.552 -2.492 51 H LEU 5 H LEU 5 1.705 2.886 -6.695 52 HA LEU 5 HA LEU 5 2.615 4.161 -9.102 53 HB2 LEU 5 HB2 LEU 5 1.700 1.294 -8.612 54 HB3 LEU 5 HB3 LEU 5 2.621 1.857 -10.016 55 HG LEU 5 HG LEU 5 3.590 1.948 -7.126 56 HD11 LEU 5 HD11 LEU 5 3.436 -0.336 -8.038 57 HD12 LEU 5 HD12 LEU 5 4.373 0.169 -9.468 58 HD13 LEU 5 HD13 LEU 5 5.132 0.162 -7.863 59 HD21 LEU 5 HD21 LEU 5 4.592 3.754 -8.472 60 HD22 LEU 5 HD22 LEU 5 5.787 2.482 -8.165 61 HD23 LEU 5 HD23 LEU 5 5.001 2.587 -9.756 62 H LEU 6 H LEU 6 -0.548 3.256 -7.908 63 HA LEU 6 HA LEU 6 -1.816 3.060 -10.497 64 HB2 LEU 6 HB2 LEU 6 -3.010 3.700 -7.769 65 HB3 LEU 6 HB3 LEU 6 -3.905 3.168 -9.198 66 HG LEU 6 HG LEU 6 -1.780 1.521 -7.745 67 HD11 LEU 6 HD11 LEU 6 -3.709 0.161 -7.025 68 HD12 LEU 6 HD12 LEU 6 -3.849 1.837 -6.436 69 HD13 LEU 6 HD13 LEU 6 -4.818 1.298 -7.829 70 HD21 LEU 6 HD21 LEU 6 -2.638 -0.327 -9.160 71 HD22 LEU 6 HD22 LEU 6 -3.694 0.818 -10.016 72 HD23 LEU 6 HD23 LEU 6 -1.924 0.959 -10.152 73 H LYS 7 H LYS 7 -0.757 5.710 -8.505 74 HA LYS 7 HA LYS 7 -2.425 7.641 -10.033 75 HB2 LYS 7 HB2 LYS 7 -0.742 7.869 -7.517 76 HB3 LYS 7 HB3 LYS 7 -1.353 9.273 -8.400 77 HG2 LYS 7 HG2 LYS 7 -2.838 8.824 -6.591 78 HG3 LYS 7 HG3 LYS 7 -3.673 8.481 -8.112 79 HD2 LYS 7 HD2 LYS 7 -3.366 6.073 -7.775 80 HD3 LYS 7 HD3 LYS 7 -2.387 6.365 -6.320 81 HE2 LYS 7 HE2 LYS 7 -5.312 7.129 -6.696 82 HE3 LYS 7 HE3 LYS 7 -4.727 5.709 -5.815 83 HZ1 LYS 7 HZ1 LYS 7 -4.150 8.516 -5.113 84 HZ2 LYS 7 HZ2 LYS 7 -5.215 7.531 -4.339 85 HZ3 LYS 7 HZ3 LYS 7 -3.608 7.199 -4.292 86 H LYS 8 H LYS 8 0.865 6.443 -9.676 87 HA LYS 8 HA LYS 8 2.084 8.663 -11.106 88 HB2 LYS 8 HB2 LYS 8 3.300 7.355 -9.425 89 HB3 LYS 8 HB3 LYS 8 3.082 5.878 -10.390 90 HG2 LYS 8 HG2 LYS 8 4.421 6.818 -12.215 91 HG3 LYS 8 HG3 LYS 8 4.587 8.350 -11.336 92 HD2 LYS 8 HD2 LYS 8 5.603 5.642 -10.374 93 HD3 LYS 8 HD3 LYS 8 6.595 6.896 -11.143 94 HE2 LYS 8 HE2 LYS 8 6.007 8.468 -9.302 95 HE3 LYS 8 HE3 LYS 8 5.063 7.191 -8.518 96 HZ1 LYS 8 HZ1 LYS 8 7.950 7.076 -9.075 97 HZ2 LYS 8 HZ2 LYS 8 7.276 7.368 -7.610 98 HZ3 LYS 8 HZ3 LYS 8 7.078 5.903 -8.330 99 H LEU 9 H LEU 9 0.627 5.565 -11.990 100 HA LEU 9 HA LEU 9 1.638 5.803 -14.753 101 HB2 LEU 9 HB2 LEU 9 -0.121 3.757 -13.357 102 HB3 LEU 9 HB3 LEU 9 0.391 3.646 -15.047 103 HG LEU 9 HG LEU 9 2.334 3.800 -12.699 104 HD11 LEU 9 HD11 LEU 9 1.381 1.390 -14.301 105 HD12 LEU 9 HD12 LEU 9 2.645 1.389 -13.050 106 HD13 LEU 9 HD13 LEU 9 0.964 1.742 -12.603 107 HD21 LEU 9 HD21 LEU 9 3.294 4.533 -14.842 108 HD22 LEU 9 HD22 LEU 9 3.946 2.951 -14.382 109 HD23 LEU 9 HD23 LEU 9 2.689 3.057 -15.637 110 H LEU 10 H LEU 10 -1.023 6.987 -12.940 111 HA LEU 10 HA LEU 10 -3.143 6.682 -14.812 112 HB2 LEU 10 HB2 LEU 10 -3.549 7.246 -12.535 113 HB3 LEU 10 HB3 LEU 10 -2.549 8.704 -12.618 114 HG LEU 10 HG LEU 10 -4.942 8.481 -14.446 115 HD11 LEU 10 HD11 LEU 10 -6.347 9.424 -12.650 116 HD12 LEU 10 HD12 LEU 10 -5.761 7.803 -12.222 117 HD13 LEU 10 HD13 LEU 10 -5.005 9.242 -11.494 118 HD21 LEU 10 HD21 LEU 10 -3.605 10.757 -12.895 119 HD22 LEU 10 HD22 LEU 10 -3.456 10.475 -14.648 120 HD23 LEU 10 HD23 LEU 10 -5.020 10.937 -13.953 121 H LYS 11 H LYS 11 -0.433 8.947 -14.667 122 HA LYS 11 HA LYS 11 -1.510 10.894 -16.467 123 HB2 LYS 11 HB2 LYS 11 0.786 11.723 -16.559 124 HB3 LYS 11 HB3 LYS 11 0.373 11.281 -14.898 125 HG2 LYS 11 HG2 LYS 11 1.476 9.013 -15.349 126 HG3 LYS 11 HG3 LYS 11 2.067 9.694 -16.872 127 HD2 LYS 11 HD2 LYS 11 2.634 10.762 -14.077 128 HD3 LYS 11 HD3 LYS 11 3.765 9.854 -15.095 129 HE2 LYS 11 HE2 LYS 11 3.662 11.657 -16.807 130 HE3 LYS 11 HE3 LYS 11 2.559 12.572 -15.767 131 HZ1 LYS 11 HZ1 LYS 11 4.817 13.312 -15.514 132 HZ2 LYS 11 HZ2 LYS 11 4.296 12.647 -14.108 133 HZ3 LYS 11 HZ3 LYS 11 5.319 11.810 -15.083 134 H LEU 12 H LEU 12 -0.570 7.667 -17.020 135 HA LEU 12 HA LEU 12 0.083 8.193 -19.876 136 HB2 LEU 12 HB2 LEU 12 0.231 5.607 -18.295 137 HB3 LEU 12 HB3 LEU 12 0.878 5.902 -19.911 138 HG LEU 12 HG LEU 12 1.834 7.262 -17.345 139 HD11 LEU 12 HD11 LEU 12 3.851 5.899 -17.662 140 HD12 LEU 12 HD12 LEU 12 2.411 4.876 -17.444 141 HD13 LEU 12 HD13 LEU 12 3.108 5.102 -19.065 142 HD21 LEU 12 HD21 LEU 12 2.148 8.701 -19.332 143 HD22 LEU 12 HD22 LEU 12 3.703 8.059 -18.774 144 HD23 LEU 12 HD23 LEU 12 2.913 7.344 -20.199 145 H LEU 13 H LEU 13 -2.536 7.253 -17.806 146 HA LEU 13 HA LEU 13 -3.842 5.710 -19.949 147 HB2 LEU 13 HB2 LEU 13 -4.778 6.408 -17.131 148 HB3 LEU 13 HB3 LEU 13 -5.555 5.249 -18.220 149 HG LEU 13 HG LEU 13 -2.738 4.990 -17.070 150 HD11 LEU 13 HD11 LEU 13 -3.722 3.178 -15.732 151 HD12 LEU 13 HD12 LEU 13 -4.534 4.726 -15.390 152 HD13 LEU 13 HD13 LEU 13 -5.323 3.514 -16.428 153 HD21 LEU 13 HD21 LEU 13 -2.880 2.670 -17.964 154 HD22 LEU 13 HD22 LEU 13 -4.423 3.081 -18.746 155 HD23 LEU 13 HD23 LEU 13 -2.922 3.885 -19.261 156 H LYS 14 H LYS 14 -3.722 8.926 -18.797 157 HA LYS 14 HA LYS 14 -5.744 9.649 -20.809 158 HB2 LYS 14 HB2 LYS 14 -6.830 11.256 -19.321 159 HB3 LYS 14 HB3 LYS 14 -7.015 9.600 -18.719 160 HG2 LYS 14 HG2 LYS 14 -5.190 9.946 -17.106 161 HG3 LYS 14 HG3 LYS 14 -4.952 11.603 -17.696 162 HD2 LYS 14 HD2 LYS 14 -7.496 10.508 -16.412 163 HD3 LYS 14 HD3 LYS 14 -6.295 11.546 -15.619 164 HE2 LYS 14 HE2 LYS 14 -6.734 13.329 -17.286 165 HE3 LYS 14 HE3 LYS 14 -7.955 12.308 -18.062 166 HZ1 LYS 14 HZ1 LYS 14 -8.932 13.867 -16.522 167 HZ2 LYS 14 HZ2 LYS 14 -9.182 12.329 -16.000 168 HZ3 LYS 14 HZ3 LYS 14 -8.044 13.269 -15.278 169 HN1 NH2 15 HN1 NHE 15 -2.710 9.665 -20.175 170 HN2 NH2 15 HN2 NHE 15 -2.229 11.309 -20.522 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 2.128 2.424 0.743 2 H2 LYS 1 H2 LYS 1 1.409 3.807 0.221 3 H3 LYS 1 H3 LYS 1 2.693 3.883 1.248 4 HA LYS 1 HA LYS 1 3.358 4.486 -0.943 5 HB2 LYS 1 HB2 LYS 1 5.010 3.453 0.504 6 HB3 LYS 1 HB3 LYS 1 4.468 1.836 0.037 7 HG2 LYS 1 HG2 LYS 1 5.155 2.251 -2.301 8 HG3 LYS 1 HG3 LYS 1 5.651 3.903 -1.862 9 HD2 LYS 1 HD2 LYS 1 7.312 2.979 -0.273 10 HD3 LYS 1 HD3 LYS 1 6.821 1.330 -0.721 11 HE2 LYS 1 HE2 LYS 1 7.468 1.778 -3.075 12 HE3 LYS 1 HE3 LYS 1 7.948 3.422 -2.628 13 HZ1 LYS 1 HZ1 LYS 1 9.598 2.478 -1.166 14 HZ2 LYS 1 HZ2 LYS 1 9.158 0.946 -1.584 15 HZ3 LYS 1 HZ3 LYS 1 9.819 1.942 -2.705 16 H LEU 2 H LEU 2 2.286 1.033 -0.882 17 HA LEU 2 HA LEU 2 2.546 0.779 -3.726 18 HB2 LEU 2 HB2 LEU 2 1.153 -1.036 -1.729 19 HB3 LEU 2 HB3 LEU 2 1.637 -1.471 -3.372 20 HG LEU 2 HG LEU 2 3.538 -0.672 -1.123 21 HD11 LEU 2 HD11 LEU 2 4.173 -3.055 -1.177 22 HD12 LEU 2 HD12 LEU 2 2.446 -2.864 -0.795 23 HD13 LEU 2 HD13 LEU 2 2.947 -3.362 -2.427 24 HD21 LEU 2 HD21 LEU 2 4.449 -0.076 -3.347 25 HD22 LEU 2 HD22 LEU 2 5.301 -1.483 -2.678 26 HD23 LEU 2 HD23 LEU 2 4.077 -1.708 -3.945 27 H LEU 3 H LEU 3 0.701 2.942 -2.983 28 HA LEU 3 HA LEU 3 -1.436 2.018 -4.795 29 HB2 LEU 3 HB2 LEU 3 -3.213 2.712 -3.547 30 HB3 LEU 3 HB3 LEU 3 -2.184 1.973 -2.325 31 HG LEU 3 HG LEU 3 -2.389 4.973 -2.893 32 HD11 LEU 3 HD11 LEU 3 -3.642 5.037 -0.766 33 HD12 LEU 3 HD12 LEU 3 -4.468 4.007 -1.960 34 HD13 LEU 3 HD13 LEU 3 -3.530 3.272 -0.639 35 HD21 LEU 3 HD21 LEU 3 -1.023 3.432 -0.647 36 HD22 LEU 3 HD22 LEU 3 -0.211 4.396 -1.906 37 HD23 LEU 3 HD23 LEU 3 -1.242 5.197 -0.704 38 H LYS 4 H LYS 4 0.891 4.391 -3.906 39 HA LYS 4 HA LYS 4 -0.353 6.564 -5.421 40 HB2 LYS 4 HB2 LYS 4 1.116 7.012 -3.502 41 HB3 LYS 4 HB3 LYS 4 2.446 6.150 -4.288 42 HG2 LYS 4 HG2 LYS 4 2.494 7.809 -6.099 43 HG3 LYS 4 HG3 LYS 4 1.083 8.641 -5.397 44 HD2 LYS 4 HD2 LYS 4 2.379 9.087 -3.335 45 HD3 LYS 4 HD3 LYS 4 3.798 8.301 -4.046 46 HE2 LYS 4 HE2 LYS 4 2.377 10.760 -5.155 47 HE3 LYS 4 HE3 LYS 4 3.886 10.771 -4.230 48 HZ1 LYS 4 HZ1 LYS 4 4.885 9.450 -5.980 49 HZ2 LYS 4 HZ2 LYS 4 3.490 9.481 -6.851 50 HZ3 LYS 4 HZ3 LYS 4 4.313 10.870 -6.578 51 H LEU 5 H LEU 5 1.708 3.800 -6.034 52 HA LEU 5 HA LEU 5 2.841 4.728 -8.506 53 HB2 LEU 5 HB2 LEU 5 2.350 1.984 -7.273 54 HB3 LEU 5 HB3 LEU 5 3.013 2.181 -8.896 55 HG LEU 5 HG LEU 5 4.881 3.542 -7.980 56 HD11 LEU 5 HD11 LEU 5 3.750 2.679 -5.283 57 HD12 LEU 5 HD12 LEU 5 5.361 3.374 -5.549 58 HD13 LEU 5 HD13 LEU 5 3.931 4.358 -5.872 59 HD21 LEU 5 HD21 LEU 5 6.070 1.614 -7.010 60 HD22 LEU 5 HD22 LEU 5 4.521 0.776 -6.753 61 HD23 LEU 5 HD23 LEU 5 5.085 1.114 -8.402 62 H LEU 6 H LEU 6 -0.342 3.607 -7.570 63 HA LEU 6 HA LEU 6 -1.179 2.711 -10.181 64 HB2 LEU 6 HB2 LEU 6 -2.840 3.793 -7.866 65 HB3 LEU 6 HB3 LEU 6 -3.435 2.835 -9.230 66 HG LEU 6 HG LEU 6 -1.427 1.875 -7.139 67 HD11 LEU 6 HD11 LEU 6 -3.725 2.178 -6.256 68 HD12 LEU 6 HD12 LEU 6 -4.364 1.176 -7.578 69 HD13 LEU 6 HD13 LEU 6 -3.278 0.463 -6.360 70 HD21 LEU 6 HD21 LEU 6 -1.087 0.762 -9.305 71 HD22 LEU 6 HD22 LEU 6 -1.836 -0.354 -8.147 72 HD23 LEU 6 HD23 LEU 6 -2.828 0.405 -9.414 73 H LYS 7 H LYS 7 -0.965 5.865 -8.576 74 HA LYS 7 HA LYS 7 -2.538 7.267 -10.597 75 HB2 LYS 7 HB2 LYS 7 -0.552 8.306 -8.541 76 HB3 LYS 7 HB3 LYS 7 -1.774 9.262 -9.392 77 HG2 LYS 7 HG2 LYS 7 -3.572 8.139 -8.217 78 HG3 LYS 7 HG3 LYS 7 -2.450 6.936 -7.538 79 HD2 LYS 7 HD2 LYS 7 -1.229 8.705 -6.355 80 HD3 LYS 7 HD3 LYS 7 -2.366 9.919 -6.975 81 HE2 LYS 7 HE2 LYS 7 -3.089 7.540 -5.210 82 HE3 LYS 7 HE3 LYS 7 -2.911 9.211 -4.657 83 HZ1 LYS 7 HZ1 LYS 7 -4.895 8.285 -6.631 84 HZ2 LYS 7 HZ2 LYS 7 -5.199 8.659 -5.061 85 HZ3 LYS 7 HZ3 LYS 7 -4.718 9.831 -6.101 86 H LYS 8 H LYS 8 0.882 6.646 -9.838 87 HA LYS 8 HA LYS 8 2.027 8.336 -11.822 88 HB2 LYS 8 HB2 LYS 8 3.272 7.435 -9.919 89 HB3 LYS 8 HB3 LYS 8 3.048 5.782 -10.518 90 HG2 LYS 8 HG2 LYS 8 4.381 6.277 -12.519 91 HG3 LYS 8 HG3 LYS 8 4.537 7.973 -12.020 92 HD2 LYS 8 HD2 LYS 8 5.733 7.262 -9.971 93 HD3 LYS 8 HD3 LYS 8 5.562 5.556 -10.465 94 HE2 LYS 8 HE2 LYS 8 6.852 6.024 -12.519 95 HE3 LYS 8 HE3 LYS 8 7.012 7.722 -12.047 96 HZ1 LYS 8 HZ1 LYS 8 8.076 5.433 -10.530 97 HZ2 LYS 8 HZ2 LYS 8 8.958 6.463 -11.457 98 HZ3 LYS 8 HZ3 LYS 8 8.220 7.007 -10.097 99 H LEU 9 H LEU 9 0.529 5.156 -12.075 100 HA LEU 9 HA LEU 9 1.559 4.818 -14.831 101 HB2 LEU 9 HB2 LEU 9 -0.115 3.074 -12.985 102 HB3 LEU 9 HB3 LEU 9 0.327 2.622 -14.640 103 HG LEU 9 HG LEU 9 2.366 3.287 -12.475 104 HD11 LEU 9 HD11 LEU 9 2.711 0.862 -12.322 105 HD12 LEU 9 HD12 LEU 9 1.041 1.280 -11.884 106 HD13 LEU 9 HD13 LEU 9 1.390 0.580 -13.484 107 HD21 LEU 9 HD21 LEU 9 3.202 3.565 -14.784 108 HD22 LEU 9 HD22 LEU 9 3.919 2.129 -14.034 109 HD23 LEU 9 HD23 LEU 9 2.591 1.946 -15.205 110 H LEU 10 H LEU 10 -1.203 6.123 -13.192 111 HA LEU 10 HA LEU 10 -3.116 5.558 -15.310 112 HB2 LEU 10 HB2 LEU 10 -3.887 5.674 -13.079 113 HB3 LEU 10 HB3 LEU 10 -3.126 7.240 -12.785 114 HG LEU 10 HG LEU 10 -5.199 7.072 -14.968 115 HD11 LEU 10 HD11 LEU 10 -6.212 5.825 -13.096 116 HD12 LEU 10 HD12 LEU 10 -5.804 7.152 -11.984 117 HD13 LEU 10 HD13 LEU 10 -6.985 7.411 -13.290 118 HD21 LEU 10 HD21 LEU 10 -5.723 9.335 -14.083 119 HD22 LEU 10 HD22 LEU 10 -4.528 9.110 -12.783 120 HD23 LEU 10 HD23 LEU 10 -3.995 9.220 -14.473 121 H LYS 11 H LYS 11 -0.865 8.187 -14.523 122 HA LYS 11 HA LYS 11 -2.143 10.153 -16.177 123 HB2 LYS 11 HB2 LYS 11 -0.084 11.428 -15.879 124 HB3 LYS 11 HB3 LYS 11 -0.638 10.734 -14.345 125 HG2 LYS 11 HG2 LYS 11 1.014 8.866 -14.640 126 HG3 LYS 11 HG3 LYS 11 1.607 9.661 -16.111 127 HD2 LYS 11 HD2 LYS 11 1.631 10.860 -13.311 128 HD3 LYS 11 HD3 LYS 11 3.028 10.163 -14.154 129 HE2 LYS 11 HE2 LYS 11 2.772 11.863 -15.950 130 HE3 LYS 11 HE3 LYS 11 1.408 12.577 -15.068 131 HZ1 LYS 11 HZ1 LYS 11 3.449 13.740 -14.634 132 HZ2 LYS 11 HZ2 LYS 11 2.897 13.041 -13.255 133 HZ3 LYS 11 HZ3 LYS 11 4.162 12.372 -14.060 134 H LEU 12 H LEU 12 -0.535 7.309 -17.069 135 HA LEU 12 HA LEU 12 0.669 8.299 -19.541 136 HB2 LEU 12 HB2 LEU 12 0.035 5.567 -18.364 137 HB3 LEU 12 HB3 LEU 12 0.581 5.738 -20.035 138 HG LEU 12 HG LEU 12 2.419 5.154 -18.527 139 HD11 LEU 12 HD11 LEU 12 2.846 6.446 -20.591 140 HD12 LEU 12 HD12 LEU 12 2.697 7.959 -19.670 141 HD13 LEU 12 HD13 LEU 12 4.013 6.823 -19.309 142 HD21 LEU 12 HD21 LEU 12 1.608 6.383 -16.504 143 HD22 LEU 12 HD22 LEU 12 3.309 6.714 -16.905 144 HD23 LEU 12 HD23 LEU 12 2.070 7.911 -17.304 145 H LEU 13 H LEU 13 -2.555 7.602 -18.496 146 HA LEU 13 HA LEU 13 -3.438 7.465 -21.342 147 HB2 LEU 13 HB2 LEU 13 -4.631 6.037 -18.931 148 HB3 LEU 13 HB3 LEU 13 -5.281 5.987 -20.570 149 HG LEU 13 HG LEU 13 -2.515 4.958 -19.778 150 HD11 LEU 13 HD11 LEU 13 -5.112 3.475 -20.356 151 HD12 LEU 13 HD12 LEU 13 -3.520 2.732 -20.062 152 HD13 LEU 13 HD13 LEU 13 -4.332 3.640 -18.769 153 HD21 LEU 13 HD21 LEU 13 -2.674 5.654 -22.154 154 HD22 LEU 13 HD22 LEU 13 -2.583 3.889 -22.007 155 HD23 LEU 13 HD23 LEU 13 -4.143 4.669 -22.347 156 H LYS 14 H LYS 14 -3.626 9.097 -18.321 157 HA LYS 14 HA LYS 14 -6.066 10.544 -19.252 158 HB2 LYS 14 HB2 LYS 14 -4.983 10.241 -16.429 159 HB3 LYS 14 HB3 LYS 14 -6.434 11.135 -16.890 160 HG2 LYS 14 HG2 LYS 14 -6.004 8.127 -17.209 161 HG3 LYS 14 HG3 LYS 14 -6.999 8.907 -15.988 162 HD2 LYS 14 HD2 LYS 14 -7.480 8.961 -18.994 163 HD3 LYS 14 HD3 LYS 14 -8.386 8.025 -17.802 164 HE2 LYS 14 HE2 LYS 14 -8.242 11.064 -17.919 165 HE3 LYS 14 HE3 LYS 14 -9.582 10.072 -18.504 166 HZ1 LYS 14 HZ1 LYS 14 -9.903 9.277 -16.268 167 HZ2 LYS 14 HZ2 LYS 14 -8.672 10.211 -15.703 168 HZ3 LYS 14 HZ3 LYS 14 -10.022 10.913 -16.315 169 HN1 NH2 15 HN1 NHE 15 -2.862 10.845 -19.513 170 HN2 NH2 15 HN2 NHE 15 -2.692 12.575 -19.284 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 0.246 -1.580 0.898 2 H2 LYS 1 H2 LYS 1 -0.444 -2.064 -0.513 3 H3 LYS 1 H3 LYS 1 -0.513 -0.482 -0.061 4 HA LYS 1 HA LYS 1 1.844 -0.245 -0.239 5 HB2 LYS 1 HB2 LYS 1 2.462 -2.538 0.334 6 HB3 LYS 1 HB3 LYS 1 1.734 -3.130 -1.172 7 HG2 LYS 1 HG2 LYS 1 3.373 -1.839 -2.494 8 HG3 LYS 1 HG3 LYS 1 4.066 -1.175 -0.997 9 HD2 LYS 1 HD2 LYS 1 4.675 -3.462 -0.272 10 HD3 LYS 1 HD3 LYS 1 3.955 -4.131 -1.750 11 HE2 LYS 1 HE2 LYS 1 6.370 -3.970 -2.028 12 HE3 LYS 1 HE3 LYS 1 5.561 -2.841 -3.124 13 HZ1 LYS 1 HZ1 LYS 1 6.770 -2.130 -0.536 14 HZ2 LYS 1 HZ2 LYS 1 7.434 -1.838 -2.002 15 HZ3 LYS 1 HZ3 LYS 1 6.044 -1.076 -1.571 16 H LEU 2 H LEU 2 0.190 -2.361 -2.679 17 HA LEU 2 HA LEU 2 1.092 -0.675 -4.850 18 HB2 LEU 2 HB2 LEU 2 0.812 -3.086 -5.111 19 HB3 LEU 2 HB3 LEU 2 -0.897 -2.964 -4.679 20 HG LEU 2 HG LEU 2 -1.318 -1.586 -6.718 21 HD11 LEU 2 HD11 LEU 2 0.439 -1.497 -8.457 22 HD12 LEU 2 HD12 LEU 2 0.925 -0.595 -7.009 23 HD13 LEU 2 HD13 LEU 2 1.609 -2.206 -7.320 24 HD21 LEU 2 HD21 LEU 2 -1.021 -3.427 -8.328 25 HD22 LEU 2 HD22 LEU 2 0.109 -4.230 -7.216 26 HD23 LEU 2 HD23 LEU 2 -1.601 -4.037 -6.761 27 H LEU 3 H LEU 3 0.318 1.401 -4.336 28 HA LEU 3 HA LEU 3 -2.344 1.832 -5.469 29 HB2 LEU 3 HB2 LEU 3 -3.317 2.992 -3.652 30 HB3 LEU 3 HB3 LEU 3 -2.701 1.469 -3.015 31 HG LEU 3 HG LEU 3 -0.558 2.979 -2.439 32 HD11 LEU 3 HD11 LEU 3 -1.506 5.083 -3.442 33 HD12 LEU 3 HD12 LEU 3 -2.908 4.938 -2.368 34 HD13 LEU 3 HD13 LEU 3 -1.287 5.228 -1.687 35 HD21 LEU 3 HD21 LEU 3 -1.958 1.709 -0.843 36 HD22 LEU 3 HD22 LEU 3 -1.536 3.314 -0.204 37 HD23 LEU 3 HD23 LEU 3 -3.160 3.015 -0.864 38 H LYS 4 H LYS 4 0.789 3.122 -4.352 39 HA LYS 4 HA LYS 4 0.216 5.798 -5.335 40 HB2 LYS 4 HB2 LYS 4 2.584 6.212 -4.893 41 HB3 LYS 4 HB3 LYS 4 1.827 5.380 -3.520 42 HG2 LYS 4 HG2 LYS 4 2.795 3.232 -4.295 43 HG3 LYS 4 HG3 LYS 4 3.539 4.065 -5.682 44 HD2 LYS 4 HD2 LYS 4 4.818 5.502 -4.132 45 HD3 LYS 4 HD3 LYS 4 4.098 4.657 -2.743 46 HE2 LYS 4 HE2 LYS 4 5.057 2.519 -3.536 47 HE3 LYS 4 HE3 LYS 4 5.790 3.353 -4.916 48 HZ1 LYS 4 HZ1 LYS 4 6.372 3.903 -2.079 49 HZ2 LYS 4 HZ2 LYS 4 7.339 3.058 -3.101 50 HZ3 LYS 4 HZ3 LYS 4 7.075 4.658 -3.361 51 H LEU 5 H LEU 5 1.458 2.820 -6.735 52 HA LEU 5 HA LEU 5 2.605 4.063 -9.075 53 HB2 LEU 5 HB2 LEU 5 1.544 1.246 -8.613 54 HB3 LEU 5 HB3 LEU 5 2.524 1.752 -9.996 55 HG LEU 5 HG LEU 5 3.408 1.808 -7.077 56 HD11 LEU 5 HD11 LEU 5 4.909 -0.018 -7.764 57 HD12 LEU 5 HD12 LEU 5 3.213 -0.467 -8.026 58 HD13 LEU 5 HD13 LEU 5 4.229 0.023 -9.404 59 HD21 LEU 5 HD21 LEU 5 4.916 2.434 -9.656 60 HD22 LEU 5 HD22 LEU 5 4.516 3.594 -8.360 61 HD23 LEU 5 HD23 LEU 5 5.659 2.273 -8.052 62 H LEU 6 H LEU 6 -0.684 3.463 -8.054 63 HA LEU 6 HA LEU 6 -1.793 3.325 -10.727 64 HB2 LEU 6 HB2 LEU 6 -3.129 4.150 -8.123 65 HB3 LEU 6 HB3 LEU 6 -3.937 3.613 -9.601 66 HG LEU 6 HG LEU 6 -2.092 1.919 -7.860 67 HD11 LEU 6 HD11 LEU 6 -5.105 1.833 -8.329 68 HD12 LEU 6 HD12 LEU 6 -4.168 0.688 -7.333 69 HD13 LEU 6 HD13 LEU 6 -4.294 2.393 -6.851 70 HD21 LEU 6 HD21 LEU 6 -3.720 1.197 -10.342 71 HD22 LEU 6 HD22 LEU 6 -1.950 1.238 -10.234 72 HD23 LEU 6 HD23 LEU 6 -2.863 0.041 -9.293 73 H LYS 7 H LYS 7 -0.853 5.899 -8.499 74 HA LYS 7 HA LYS 7 -2.203 8.028 -9.955 75 HB2 LYS 7 HB2 LYS 7 0.191 8.160 -8.077 76 HB3 LYS 7 HB3 LYS 7 -0.905 9.489 -8.495 77 HG2 LYS 7 HG2 LYS 7 -2.733 8.435 -7.283 78 HG3 LYS 7 HG3 LYS 7 -1.794 6.942 -7.062 79 HD2 LYS 7 HD2 LYS 7 -1.707 8.198 -4.996 80 HD3 LYS 7 HD3 LYS 7 -0.109 8.168 -5.759 81 HE2 LYS 7 HE2 LYS 7 -0.598 10.402 -4.872 82 HE3 LYS 7 HE3 LYS 7 -0.472 10.458 -6.634 83 HZ1 LYS 7 HZ1 LYS 7 -2.357 11.694 -5.816 84 HZ2 LYS 7 HZ2 LYS 7 -2.881 10.437 -6.732 85 HZ3 LYS 7 HZ3 LYS 7 -2.986 10.358 -5.096 86 H LYS 8 H LYS 8 1.045 6.583 -9.828 87 HA LYS 8 HA LYS 8 2.314 8.385 -11.648 88 HB2 LYS 8 HB2 LYS 8 3.553 6.928 -10.119 89 HB3 LYS 8 HB3 LYS 8 2.882 5.489 -10.903 90 HG2 LYS 8 HG2 LYS 8 5.178 5.855 -11.626 91 HG3 LYS 8 HG3 LYS 8 4.077 6.053 -12.997 92 HD2 LYS 8 HD2 LYS 8 4.180 8.510 -12.735 93 HD3 LYS 8 HD3 LYS 8 5.257 8.326 -11.339 94 HE2 LYS 8 HE2 LYS 8 5.834 7.400 -14.185 95 HE3 LYS 8 HE3 LYS 8 6.480 8.864 -13.440 96 HZ1 LYS 8 HZ1 LYS 8 6.998 6.118 -12.519 97 HZ2 LYS 8 HZ2 LYS 8 8.052 7.085 -13.333 98 HZ3 LYS 8 HZ3 LYS 8 7.578 7.481 -11.809 99 H LEU 9 H LEU 9 0.203 5.628 -12.178 100 HA LEU 9 HA LEU 9 0.944 5.447 -15.035 101 HB2 LEU 9 HB2 LEU 9 -0.940 3.907 -13.223 102 HB3 LEU 9 HB3 LEU 9 -0.848 3.622 -14.966 103 HG LEU 9 HG LEU 9 1.566 3.420 -13.116 104 HD11 LEU 9 HD11 LEU 9 -0.254 1.234 -14.216 105 HD12 LEU 9 HD12 LEU 9 1.246 0.982 -13.300 106 HD13 LEU 9 HD13 LEU 9 -0.150 1.754 -12.514 107 HD21 LEU 9 HD21 LEU 9 2.508 2.144 -15.030 108 HD22 LEU 9 HD22 LEU 9 1.036 2.495 -15.968 109 HD23 LEU 9 HD23 LEU 9 2.133 3.814 -15.480 110 H LEU 10 H LEU 10 -1.499 6.940 -12.987 111 HA LEU 10 HA LEU 10 -3.541 7.245 -14.949 112 HB2 LEU 10 HB2 LEU 10 -3.977 7.617 -12.629 113 HB3 LEU 10 HB3 LEU 10 -2.717 8.843 -12.489 114 HG LEU 10 HG LEU 10 -4.974 9.332 -14.427 115 HD11 LEU 10 HD11 LEU 10 -5.116 9.689 -11.408 116 HD12 LEU 10 HD12 LEU 10 -6.301 10.305 -12.582 117 HD13 LEU 10 HD13 LEU 10 -6.079 8.550 -12.379 118 HD21 LEU 10 HD21 LEU 10 -4.626 11.668 -13.648 119 HD22 LEU 10 HD22 LEU 10 -3.404 11.108 -12.491 120 HD23 LEU 10 HD23 LEU 10 -3.096 10.990 -14.235 121 H LYS 11 H LYS 11 -0.430 8.765 -14.511 122 HA LYS 11 HA LYS 11 -0.980 11.126 -16.078 123 HB2 LYS 11 HB2 LYS 11 1.777 9.972 -15.557 124 HB3 LYS 11 HB3 LYS 11 1.281 11.665 -15.704 125 HG2 LYS 11 HG2 LYS 11 -0.126 11.201 -13.544 126 HG3 LYS 11 HG3 LYS 11 0.865 9.743 -13.395 127 HD2 LYS 11 HD2 LYS 11 2.919 11.093 -13.380 128 HD3 LYS 11 HD3 LYS 11 1.966 12.573 -13.622 129 HE2 LYS 11 HE2 LYS 11 0.774 12.153 -11.489 130 HE3 LYS 11 HE3 LYS 11 1.742 10.691 -11.238 131 HZ1 LYS 11 HZ1 LYS 11 3.708 12.089 -11.204 132 HZ2 LYS 11 HZ2 LYS 11 2.792 13.441 -11.412 133 HZ3 LYS 11 HZ3 LYS 11 2.645 12.544 -10.042 134 H LEU 12 H LEU 12 -0.936 7.992 -17.055 135 HA LEU 12 HA LEU 12 0.100 8.715 -19.747 136 HB2 LEU 12 HB2 LEU 12 1.901 7.558 -18.599 137 HB3 LEU 12 HB3 LEU 12 0.794 6.278 -18.082 138 HG LEU 12 HG LEU 12 0.453 5.609 -20.454 139 HD11 LEU 12 HD11 LEU 12 2.605 7.711 -20.983 140 HD12 LEU 12 HD12 LEU 12 2.020 6.519 -22.165 141 HD13 LEU 12 HD13 LEU 12 0.922 7.773 -21.556 142 HD21 LEU 12 HD21 LEU 12 2.191 4.541 -19.065 143 HD22 LEU 12 HD22 LEU 12 2.696 4.638 -20.769 144 HD23 LEU 12 HD23 LEU 12 3.361 5.779 -19.573 145 H LEU 13 H LEU 13 -2.016 6.682 -17.703 146 HA LEU 13 HA LEU 13 -3.279 5.468 -20.034 147 HB2 LEU 13 HB2 LEU 13 -4.012 5.512 -17.070 148 HB3 LEU 13 HB3 LEU 13 -4.833 4.528 -18.301 149 HG LEU 13 HG LEU 13 -1.864 4.313 -17.606 150 HD11 LEU 13 HD11 LEU 13 -4.225 2.553 -16.826 151 HD12 LEU 13 HD12 LEU 13 -2.513 2.222 -16.479 152 HD13 LEU 13 HD13 LEU 13 -3.315 3.619 -15.728 153 HD21 LEU 13 HD21 LEU 13 -2.023 2.188 -18.870 154 HD22 LEU 13 HD22 LEU 13 -3.711 2.571 -19.298 155 HD23 LEU 13 HD23 LEU 13 -2.371 3.579 -19.903 156 H LYS 14 H LYS 14 -3.577 8.465 -18.414 157 HA LYS 14 HA LYS 14 -5.939 9.050 -20.089 158 HB2 LYS 14 HB2 LYS 14 -5.662 9.873 -17.169 159 HB3 LYS 14 HB3 LYS 14 -6.907 10.445 -18.294 160 HG2 LYS 14 HG2 LYS 14 -7.563 8.020 -18.664 161 HG3 LYS 14 HG3 LYS 14 -6.494 7.593 -17.311 162 HD2 LYS 14 HD2 LYS 14 -8.876 9.493 -17.205 163 HD3 LYS 14 HD3 LYS 14 -8.838 7.830 -16.585 164 HE2 LYS 14 HE2 LYS 14 -7.047 8.471 -14.993 165 HE3 LYS 14 HE3 LYS 14 -7.116 10.141 -15.589 166 HZ1 LYS 14 HZ1 LYS 14 -8.419 9.839 -13.597 167 HZ2 LYS 14 HZ2 LYS 14 -9.393 10.252 -14.854 168 HZ3 LYS 14 HZ3 LYS 14 -9.353 8.700 -14.329 169 HN1 NH2 15 HN1 NHE 15 -2.887 9.471 -20.018 170 HN2 NH2 15 HN2 NHE 15 -2.716 11.187 -20.305 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 1.716 2.970 1.493 2 H2 LYS 1 H2 LYS 1 0.414 2.498 0.611 3 H3 LYS 1 H3 LYS 1 1.639 3.328 -0.111 4 HA LYS 1 HA LYS 1 3.161 1.531 0.258 5 HB2 LYS 1 HB2 LYS 1 2.056 0.745 2.348 6 HB3 LYS 1 HB3 LYS 1 0.701 0.142 1.396 7 HG2 LYS 1 HG2 LYS 1 2.144 -1.699 1.938 8 HG3 LYS 1 HG3 LYS 1 2.272 -1.413 0.199 9 HD2 LYS 1 HD2 LYS 1 4.398 -0.168 0.562 10 HD3 LYS 1 HD3 LYS 1 4.242 -0.397 2.308 11 HE2 LYS 1 HE2 LYS 1 4.499 -2.636 0.261 12 HE3 LYS 1 HE3 LYS 1 5.813 -2.024 1.269 13 HZ1 LYS 1 HZ1 LYS 1 4.585 -2.703 3.209 14 HZ2 LYS 1 HZ2 LYS 1 3.355 -3.288 2.285 15 HZ3 LYS 1 HZ3 LYS 1 4.840 -3.981 2.214 16 H LEU 2 H LEU 2 3.351 1.582 -1.952 17 HA LEU 2 HA LEU 2 2.967 1.137 -4.136 18 HB2 LEU 2 HB2 LEU 2 1.855 -1.372 -2.843 19 HB3 LEU 2 HB3 LEU 2 1.937 -1.175 -4.584 20 HG LEU 2 HG LEU 2 3.823 -2.450 -3.812 21 HD11 LEU 2 HD11 LEU 2 4.746 0.305 -4.709 22 HD12 LEU 2 HD12 LEU 2 5.601 -1.240 -4.913 23 HD13 LEU 2 HD13 LEU 2 4.078 -0.950 -5.778 24 HD21 LEU 2 HD21 LEU 2 4.762 -0.003 -2.274 25 HD22 LEU 2 HD22 LEU 2 4.047 -1.470 -1.536 26 HD23 LEU 2 HD23 LEU 2 5.583 -1.558 -2.427 27 H LEU 3 H LEU 3 1.015 2.881 -2.941 28 HA LEU 3 HA LEU 3 -1.418 2.180 -4.513 29 HB2 LEU 3 HB2 LEU 3 -1.951 2.306 -2.189 30 HB3 LEU 3 HB3 LEU 3 -0.933 3.737 -1.957 31 HG LEU 3 HG LEU 3 -2.441 5.059 -3.379 32 HD11 LEU 3 HD11 LEU 3 -3.438 3.238 -4.739 33 HD12 LEU 3 HD12 LEU 3 -4.201 2.557 -3.282 34 HD13 LEU 3 HD13 LEU 3 -4.702 4.152 -3.901 35 HD21 LEU 3 HD21 LEU 3 -3.795 3.630 -1.051 36 HD22 LEU 3 HD22 LEU 3 -2.690 5.024 -0.927 37 HD23 LEU 3 HD23 LEU 3 -4.269 5.209 -1.721 38 H LYS 4 H LYS 4 1.052 4.683 -3.795 39 HA LYS 4 HA LYS 4 -0.130 6.672 -5.509 40 HB2 LYS 4 HB2 LYS 4 1.472 7.200 -3.706 41 HB3 LYS 4 HB3 LYS 4 2.736 6.279 -4.540 42 HG2 LYS 4 HG2 LYS 4 2.698 7.833 -6.424 43 HG3 LYS 4 HG3 LYS 4 1.323 8.708 -5.708 44 HD2 LYS 4 HD2 LYS 4 2.731 9.269 -3.737 45 HD3 LYS 4 HD3 LYS 4 4.110 8.443 -4.488 46 HE2 LYS 4 HE2 LYS 4 2.622 10.832 -5.654 47 HE3 LYS 4 HE3 LYS 4 4.184 10.903 -4.828 48 HZ1 LYS 4 HZ1 LYS 4 5.075 9.481 -6.553 49 HZ2 LYS 4 HZ2 LYS 4 3.628 9.443 -7.329 50 HZ3 LYS 4 HZ3 LYS 4 4.455 10.855 -7.198 51 H LEU 5 H LEU 5 1.657 3.759 -6.115 52 HA LEU 5 HA LEU 5 2.803 4.542 -8.648 53 HB2 LEU 5 HB2 LEU 5 2.190 1.894 -7.287 54 HB3 LEU 5 HB3 LEU 5 2.774 1.954 -8.946 55 HG LEU 5 HG LEU 5 4.600 1.549 -7.367 56 HD11 LEU 5 HD11 LEU 5 5.009 2.758 -9.500 57 HD12 LEU 5 HD12 LEU 5 4.842 4.304 -8.636 58 HD13 LEU 5 HD13 LEU 5 6.158 3.193 -8.215 59 HD21 LEU 5 HD21 LEU 5 4.119 4.353 -6.288 60 HD22 LEU 5 HD22 LEU 5 3.687 2.849 -5.435 61 HD23 LEU 5 HD23 LEU 5 5.384 3.213 -5.806 62 H LEU 6 H LEU 6 -0.442 3.695 -7.628 63 HA LEU 6 HA LEU 6 -1.295 2.794 -10.250 64 HB2 LEU 6 HB2 LEU 6 -2.947 3.848 -7.925 65 HB3 LEU 6 HB3 LEU 6 -3.553 2.944 -9.325 66 HG LEU 6 HG LEU 6 -1.656 1.888 -7.186 67 HD11 LEU 6 HD11 LEU 6 -4.528 1.184 -7.926 68 HD12 LEU 6 HD12 LEU 6 -3.549 0.415 -6.650 69 HD13 LEU 6 HD13 LEU 6 -4.028 2.122 -6.500 70 HD21 LEU 6 HD21 LEU 6 -1.960 -0.298 -8.350 71 HD22 LEU 6 HD22 LEU 6 -2.837 0.535 -9.649 72 HD23 LEU 6 HD23 LEU 6 -1.110 0.886 -9.361 73 H LYS 7 H LYS 7 -1.006 5.916 -8.605 74 HA LYS 7 HA LYS 7 -2.501 7.393 -10.619 75 HB2 LYS 7 HB2 LYS 7 -0.455 8.261 -8.544 76 HB3 LYS 7 HB3 LYS 7 -1.469 9.354 -9.497 77 HG2 LYS 7 HG2 LYS 7 -3.481 8.546 -8.456 78 HG3 LYS 7 HG3 LYS 7 -2.620 7.198 -7.676 79 HD2 LYS 7 HD2 LYS 7 -1.305 8.723 -6.333 80 HD3 LYS 7 HD3 LYS 7 -1.969 10.129 -7.185 81 HE2 LYS 7 HE2 LYS 7 -3.066 9.870 -5.005 82 HE3 LYS 7 HE3 LYS 7 -4.218 9.620 -6.324 83 HZ1 LYS 7 HZ1 LYS 7 -4.459 7.977 -4.614 84 HZ2 LYS 7 HZ2 LYS 7 -3.984 7.251 -6.002 85 HZ3 LYS 7 HZ3 LYS 7 -2.906 7.478 -4.781 86 H LYS 8 H LYS 8 0.905 6.634 -9.931 87 HA LYS 8 HA LYS 8 2.088 8.234 -11.956 88 HB2 LYS 8 HB2 LYS 8 3.308 7.240 -10.070 89 HB3 LYS 8 HB3 LYS 8 3.011 5.615 -10.707 90 HG2 LYS 8 HG2 LYS 8 4.345 6.119 -12.714 91 HG3 LYS 8 HG3 LYS 8 4.570 7.797 -12.162 92 HD2 LYS 8 HD2 LYS 8 5.725 6.951 -10.130 93 HD3 LYS 8 HD3 LYS 8 5.555 5.291 -10.731 94 HE2 LYS 8 HE2 LYS 8 7.043 7.549 -12.138 95 HE3 LYS 8 HE3 LYS 8 7.797 6.249 -11.204 96 HZ1 LYS 8 HZ1 LYS 8 7.821 5.776 -13.544 97 HZ2 LYS 8 HZ2 LYS 8 6.890 4.676 -12.764 98 HZ3 LYS 8 HZ3 LYS 8 6.187 5.884 -13.643 99 H LEU 9 H LEU 9 0.403 5.143 -12.172 100 HA LEU 9 HA LEU 9 1.337 4.767 -14.955 101 HB2 LEU 9 HB2 LEU 9 -0.381 3.091 -13.090 102 HB3 LEU 9 HB3 LEU 9 0.016 2.640 -14.761 103 HG LEU 9 HG LEU 9 2.114 3.164 -12.614 104 HD11 LEU 9 HD11 LEU 9 1.000 0.535 -13.671 105 HD12 LEU 9 HD12 LEU 9 2.341 0.720 -12.514 106 HD13 LEU 9 HD13 LEU 9 0.696 1.215 -12.056 107 HD21 LEU 9 HD21 LEU 9 2.958 3.458 -14.903 108 HD22 LEU 9 HD22 LEU 9 3.587 1.959 -14.202 109 HD23 LEU 9 HD23 LEU 9 2.256 1.887 -15.375 110 H LEU 10 H LEU 10 -1.390 6.063 -13.167 111 HA LEU 10 HA LEU 10 -3.312 5.694 -15.315 112 HB2 LEU 10 HB2 LEU 10 -4.054 5.753 -13.046 113 HB3 LEU 10 HB3 LEU 10 -3.267 7.310 -12.740 114 HG LEU 10 HG LEU 10 -5.346 7.162 -14.918 115 HD11 LEU 10 HD11 LEU 10 -5.923 7.264 -11.928 116 HD12 LEU 10 HD12 LEU 10 -7.117 7.546 -13.215 117 HD13 LEU 10 HD13 LEU 10 -6.361 5.945 -13.040 118 HD21 LEU 10 HD21 LEU 10 -5.866 9.443 -14.034 119 HD22 LEU 10 HD22 LEU 10 -4.643 9.225 -12.770 120 HD23 LEU 10 HD23 LEU 10 -4.157 9.319 -14.476 121 H LYS 11 H LYS 11 -1.022 8.229 -14.342 122 HA LYS 11 HA LYS 11 -2.151 10.285 -16.000 123 HB2 LYS 11 HB2 LYS 11 -0.033 11.449 -15.605 124 HB3 LYS 11 HB3 LYS 11 -0.674 10.760 -14.103 125 HG2 LYS 11 HG2 LYS 11 0.853 8.814 -14.349 126 HG3 LYS 11 HG3 LYS 11 1.534 9.526 -15.823 127 HD2 LYS 11 HD2 LYS 11 1.592 10.777 -13.044 128 HD3 LYS 11 HD3 LYS 11 2.951 9.956 -13.837 129 HE2 LYS 11 HE2 LYS 11 2.862 11.626 -15.684 130 HE3 LYS 11 HE3 LYS 11 1.547 12.463 -14.853 131 HZ1 LYS 11 HZ1 LYS 11 3.044 12.851 -13.010 132 HZ2 LYS 11 HZ2 LYS 11 4.268 12.075 -13.787 133 HZ3 LYS 11 HZ3 LYS 11 3.667 13.473 -14.396 134 H LEU 12 H LEU 12 -0.555 7.394 -16.847 135 HA LEU 12 HA LEU 12 0.779 8.451 -19.217 136 HB2 LEU 12 HB2 LEU 12 0.192 5.583 -18.412 137 HB3 LEU 12 HB3 LEU 12 1.345 6.121 -19.640 138 HG LEU 12 HG LEU 12 1.526 6.710 -16.643 139 HD11 LEU 12 HD11 LEU 12 1.968 4.351 -17.251 140 HD12 LEU 12 HD12 LEU 12 3.166 4.890 -18.449 141 HD13 LEU 12 HD13 LEU 12 3.444 5.178 -16.712 142 HD21 LEU 12 HD21 LEU 12 3.791 7.554 -17.201 143 HD22 LEU 12 HD22 LEU 12 3.450 7.323 -18.931 144 HD23 LEU 12 HD23 LEU 12 2.529 8.521 -17.991 145 H LEU 13 H LEU 13 -2.454 7.642 -18.441 146 HA LEU 13 HA LEU 13 -3.125 7.493 -21.333 147 HB2 LEU 13 HB2 LEU 13 -4.251 5.745 -19.106 148 HB3 LEU 13 HB3 LEU 13 -4.879 5.797 -20.760 149 HG LEU 13 HG LEU 13 -2.032 4.969 -20.045 150 HD11 LEU 13 HD11 LEU 13 -3.688 3.406 -19.119 151 HD12 LEU 13 HD12 LEU 13 -4.480 3.283 -20.706 152 HD13 LEU 13 HD13 LEU 13 -2.822 2.674 -20.487 153 HD21 LEU 13 HD21 LEU 13 -2.296 5.810 -22.364 154 HD22 LEU 13 HD22 LEU 13 -2.049 4.050 -22.349 155 HD23 LEU 13 HD23 LEU 13 -3.680 4.717 -22.602 156 H LYS 14 H LYS 14 -3.480 9.143 -18.473 157 HA LYS 14 HA LYS 14 -5.908 10.461 -19.532 158 HB2 LYS 14 HB2 LYS 14 -5.474 9.744 -16.606 159 HB3 LYS 14 HB3 LYS 14 -6.795 10.728 -17.258 160 HG2 LYS 14 HG2 LYS 14 -7.490 8.758 -18.675 161 HG3 LYS 14 HG3 LYS 14 -6.236 7.790 -17.875 162 HD2 LYS 14 HD2 LYS 14 -8.394 7.370 -16.829 163 HD3 LYS 14 HD3 LYS 14 -7.349 8.223 -15.680 164 HE2 LYS 14 HE2 LYS 14 -8.459 10.357 -16.233 165 HE3 LYS 14 HE3 LYS 14 -9.463 9.537 -17.440 166 HZ1 LYS 14 HZ1 LYS 14 -10.413 8.230 -15.678 167 HZ2 LYS 14 HZ2 LYS 14 -9.476 8.977 -14.550 168 HZ3 LYS 14 HZ3 LYS 14 -10.612 9.833 -15.366 169 HN1 NH2 15 HN1 NHE 15 -2.817 10.857 -19.338 170 HN2 NH2 15 HN2 NHE 15 -2.684 12.492 -18.736
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