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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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630924 |
6hh0 ![]() ![]() |
34309 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 -10.764 -6.341 -2.299 2 H2 LYS 1 HT2 LYS 1 -11.549 -5.010 -3.045 3 H3 LYS 1 HT3 LYS 1 -11.659 -6.574 -3.742 4 HA LYS 1 HA LYS 1 -12.968 -5.471 -1.385 5 HB2 LYS 1 HB2 LYS 1 -13.879 -5.712 -3.808 6 HB3 LYS 1 HB1 LYS 1 -14.018 -7.420 -3.417 7 HG2 LYS 1 HG2 LYS 1 -15.253 -6.381 -1.281 8 HG3 LYS 1 HG1 LYS 1 -15.599 -5.121 -2.467 9 HD2 LYS 1 HD2 LYS 1 -16.602 -6.725 -3.954 10 HD3 LYS 1 HD1 LYS 1 -16.122 -8.058 -2.903 11 HE2 LYS 1 HE2 LYS 1 -17.560 -7.142 -1.126 12 HE3 LYS 1 HE1 LYS 1 -18.069 -5.858 -2.222 13 HZ1 LYS 1 HZ1 LYS 1 -18.450 -8.746 -2.784 14 HZ2 LYS 1 HZ2 LYS 1 -19.096 -7.442 -3.646 15 HZ3 LYS 1 HZ3 LYS 1 -19.631 -7.764 -2.074 16 H LYS 2 HN LYS 2 -11.583 -8.423 -2.693 17 HA LYS 2 HA LYS 2 -11.979 -9.689 -0.064 18 HB2 LYS 2 HB2 LYS 2 -13.185 -10.507 -2.573 19 HB3 LYS 2 HB1 LYS 2 -12.058 -11.756 -2.047 20 HG2 LYS 2 HG2 LYS 2 -13.390 -11.183 0.271 21 HG3 LYS 2 HG1 LYS 2 -14.650 -10.969 -0.946 22 HD2 LYS 2 HD2 LYS 2 -14.546 -13.174 -1.630 23 HD3 LYS 2 HD1 LYS 2 -12.894 -13.386 -1.044 24 HE2 LYS 2 HE2 LYS 2 -13.649 -13.414 1.236 25 HE3 LYS 2 HE1 LYS 2 -15.290 -12.999 0.744 26 HZ1 LYS 2 HZ1 LYS 2 -14.045 -15.436 -0.325 27 HZ2 LYS 2 HZ2 LYS 2 -15.680 -15.098 -0.052 28 HZ3 LYS 2 HZ3 LYS 2 -14.661 -15.451 1.251 29 H SER 3 HN SER 3 -10.458 -10.406 -3.226 30 HA SER 3 HA SER 3 -8.116 -11.458 -1.854 31 HB2 SER 3 HB2 SER 3 -7.375 -12.071 -4.165 32 HB3 SER 3 HB1 SER 3 -8.937 -12.758 -3.721 33 HG SER 3 HG SER 3 -9.322 -11.912 -5.670 34 H HIS 4 HN HIS 4 -8.830 -8.986 -4.319 35 HA HIS 4 HA HIS 4 -6.259 -7.933 -4.555 36 HB2 HIS 4 HB2 HIS 4 -8.427 -7.457 -5.923 37 HB3 HIS 4 HB1 HIS 4 -8.678 -6.169 -4.746 38 HD1 HIS 4 HD1 HIS 4 -7.408 -4.041 -5.094 39 HD2 HIS 4 HD2 HIS 4 -5.986 -7.147 -7.459 40 HE1 HIS 4 HE1 HIS 4 -5.728 -2.991 -6.642 41 HE2 HIS 4 HE2 HIS 4 -4.804 -4.908 -7.991 42 H THR 5 HN THR 5 -8.503 -7.644 -1.960 43 HA THR 5 HA THR 5 -7.239 -5.243 -0.918 44 HB THR 5 HB THR 5 -9.677 -5.475 -0.729 45 HG1 THR 5 HG1 THR 5 -8.520 -5.650 1.846 46 HG21 THR 5 HG21 THR 5 -9.584 -8.008 -0.359 47 HG22 THR 5 HG22 THR 5 -10.778 -7.072 0.539 48 HG23 THR 5 HG23 THR 5 -9.297 -7.605 1.334 49 H ALA 6 HN ALA 6 -7.412 -8.690 -0.260 50 HA ALA 6 HA ALA 6 -6.169 -8.738 2.243 51 HB1 ALA 6 HB1 ALA 6 -5.440 -10.957 0.478 52 HB2 ALA 6 HB2 ALA 6 -7.171 -10.627 0.545 53 HB3 ALA 6 HB3 ALA 6 -6.280 -10.969 2.028 54 H SER 7 HN SER 7 -4.590 -9.680 -0.796 55 HA SER 7 HA SER 7 -1.944 -9.302 0.199 56 HB2 SER 7 HB2 SER 7 -3.195 -9.967 -2.421 57 HB3 SER 7 HB1 SER 7 -1.557 -9.315 -2.455 58 HG SER 7 HG SER 7 -2.465 -11.610 -1.057 59 H TYR 8 HN TYR 8 -4.161 -6.900 -0.428 60 HA TYR 8 HA TYR 8 -2.349 -5.216 -1.851 61 HB2 TYR 8 HB2 TYR 8 -4.055 -3.868 -2.159 62 HB3 TYR 8 HB1 TYR 8 -5.077 -4.961 -1.217 63 HD1 TYR 8 HD1 TYR 8 -3.759 -4.347 1.536 64 HD2 TYR 8 HD2 TYR 8 -5.072 -1.869 -1.688 65 HE1 TYR 8 HE1 TYR 8 -4.022 -2.429 3.077 66 HE2 TYR 8 HE2 TYR 8 -5.355 0.015 -0.141 67 HH TYR 8 HH TYR 8 -5.667 0.438 2.213 68 H LEU 9 HN LEU 9 -3.022 -5.925 1.509 69 HA LEU 9 HA LEU 9 -1.503 -3.692 2.388 70 HB2 LEU 9 HB2 LEU 9 -2.899 -5.893 3.678 71 HB3 LEU 9 HB1 LEU 9 -1.386 -5.492 4.471 72 HG LEU 9 HG LEU 9 -2.730 -3.044 3.936 73 HD11 LEU 9 HD11 LEU 9 -4.845 -3.268 4.883 74 HD12 LEU 9 HD12 LEU 9 -4.479 -4.846 5.581 75 HD13 LEU 9 HD13 LEU 9 -4.718 -4.685 3.841 76 HD21 LEU 9 HD21 LEU 9 -2.545 -4.392 6.615 77 HD22 LEU 9 HD22 LEU 9 -2.416 -2.677 6.221 78 HD23 LEU 9 HD23 LEU 9 -1.109 -3.782 5.791 79 H ARG 10 HN ARG 10 -0.894 -6.371 0.758 80 HA ARG 10 HA ARG 10 1.724 -6.992 1.733 81 HB2 ARG 10 HB2 ARG 10 0.053 -8.214 -0.443 82 HB3 ARG 10 HB1 ARG 10 1.602 -8.823 0.104 83 HG2 ARG 10 HG2 ARG 10 -0.332 -10.060 1.028 84 HG3 ARG 10 HG1 ARG 10 0.719 -9.367 2.256 85 HD2 ARG 10 HD2 ARG 10 -1.704 -7.784 1.410 86 HD3 ARG 10 HD1 ARG 10 -1.919 -9.201 2.432 87 HE ARG 10 HE ARG 10 -0.929 -6.685 3.213 88 HH11 ARG 10 HH11 ARG 10 -0.544 -10.106 3.794 89 HH12 ARG 10 HH12 ARG 10 0.069 -9.902 5.400 90 HH21 ARG 10 HH21 ARG 10 -0.099 -6.414 5.347 91 HH22 ARG 10 HH22 ARG 10 0.317 -7.810 6.280 92 H LEU 11 HN LEU 11 0.035 -5.534 -0.937 93 HA LEU 11 HA LEU 11 2.458 -4.954 -2.486 94 HB2 LEU 11 HB2 LEU 11 1.049 -4.963 -4.243 95 HB3 LEU 11 HB1 LEU 11 -0.186 -5.528 -3.146 96 HG LEU 11 HG LEU 11 -0.067 -2.593 -3.133 97 HD11 LEU 11 HD11 LEU 11 -0.793 -3.884 -5.754 98 HD12 LEU 11 HD12 LEU 11 0.752 -3.086 -5.461 99 HD13 LEU 11 HD13 LEU 11 -0.749 -2.167 -5.355 100 HD21 LEU 11 HD21 LEU 11 -2.490 -3.096 -3.894 101 HD22 LEU 11 HD22 LEU 11 -1.979 -3.544 -2.263 102 HD23 LEU 11 HD23 LEU 11 -2.076 -4.772 -3.529 103 H TRP 12 HN TRP 12 -0.376 -3.294 -1.465 104 HA TRP 12 HA TRP 12 0.310 -0.718 -1.743 105 HB2 TRP 12 HB2 TRP 12 -1.843 -0.742 -1.336 106 HB3 TRP 12 HB1 TRP 12 -1.746 -2.262 -0.481 107 HD1 TRP 12 HD1 TRP 12 -2.729 1.069 -0.060 108 HE1 TRP 12 HE1 TRP 12 -2.995 1.724 2.439 109 HE3 TRP 12 HE3 TRP 12 -0.151 -2.750 1.956 110 HZ2 TRP 12 HZ2 TRP 12 -2.186 0.656 4.948 111 HZ3 TRP 12 HZ3 TRP 12 0.070 -2.934 4.391 112 HH2 TRP 12 HH2 TRP 12 -0.914 -1.238 5.868 113 H ALA 13 HN ALA 13 1.594 -2.898 0.546 114 HA ALA 13 HA ALA 13 2.201 -0.978 2.590 115 HB1 ALA 13 HB1 ALA 13 2.977 -3.836 2.121 116 HB2 ALA 13 HB2 ALA 13 1.965 -3.161 3.398 117 HB3 ALA 13 HB3 ALA 13 3.706 -2.881 3.412 118 H LEU 14 HN LEU 14 4.037 -2.661 0.058 119 HA LEU 14 HA LEU 14 6.414 -1.115 0.635 120 HB2 LEU 14 HB2 LEU 14 7.493 -2.414 -1.039 121 HB3 LEU 14 HB1 LEU 14 6.480 -3.498 -0.105 122 HG LEU 14 HG LEU 14 4.776 -2.896 -2.111 123 HD11 LEU 14 HD11 LEU 14 6.063 -2.982 -4.221 124 HD12 LEU 14 HD12 LEU 14 7.545 -2.761 -3.292 125 HD13 LEU 14 HD13 LEU 14 6.319 -1.493 -3.312 126 HD21 LEU 14 HD21 LEU 14 6.914 -5.023 -2.140 127 HD22 LEU 14 HD22 LEU 14 5.443 -5.038 -3.113 128 HD23 LEU 14 HD23 LEU 14 5.339 -5.132 -1.355 129 H SER 15 HN SER 15 3.638 -0.753 -1.314 130 HA SER 15 HA SER 15 4.952 1.057 -3.193 131 HB2 SER 15 HB2 SER 15 3.264 -0.639 -3.969 132 HB3 SER 15 HB1 SER 15 2.034 0.268 -3.089 133 HG SER 15 HG SER 15 3.478 0.984 -5.386 134 H LEU 16 HN LEU 16 2.156 1.135 -0.978 135 HA LEU 16 HA LEU 16 1.821 3.947 -1.171 136 HB2 LEU 16 HB2 LEU 16 0.140 2.120 -0.439 137 HB3 LEU 16 HB1 LEU 16 0.853 2.325 1.150 138 HG LEU 16 HG LEU 16 0.295 4.919 0.407 139 HD11 LEU 16 HD11 LEU 16 -1.801 3.077 -0.703 140 HD12 LEU 16 HD12 LEU 16 -0.978 4.417 -1.502 141 HD13 LEU 16 HD13 LEU 16 -2.156 4.738 -0.230 142 HD21 LEU 16 HD21 LEU 16 -0.084 4.092 2.605 143 HD22 LEU 16 HD22 LEU 16 -1.287 2.938 2.031 144 HD23 LEU 16 HD23 LEU 16 -1.634 4.666 1.991 145 H ALA 17 HN ALA 17 4.167 2.144 0.395 146 HA ALA 17 HA ALA 17 4.495 4.096 2.572 147 HB1 ALA 17 HB1 ALA 17 4.752 1.649 3.115 148 HB2 ALA 17 HB2 ALA 17 6.093 2.679 3.601 149 HB3 ALA 17 HB3 ALA 17 6.251 1.665 2.172 150 H HIS 18 HN HIS 18 6.040 3.098 -0.414 151 HA HIS 18 HA HIS 18 8.502 4.371 -0.078 152 HB2 HIS 18 HB2 HIS 18 8.749 4.282 -2.473 153 HB3 HIS 18 HB1 HIS 18 7.968 2.804 -1.929 154 HD1 HIS 18 HD1 HIS 18 6.520 2.150 -3.826 155 HD2 HIS 18 HD2 HIS 18 6.197 6.203 -2.968 156 HE1 HIS 18 HE1 HIS 18 4.719 3.020 -5.349 157 HE2 HIS 18 HE2 HIS 18 4.501 5.462 -4.771 158 H ALA 19 HN ALA 19 5.383 5.729 -0.506 159 HA ALA 19 HA ALA 19 6.402 8.280 -1.465 160 HB1 ALA 19 HB1 ALA 19 3.660 8.438 -0.705 161 HB2 ALA 19 HB2 ALA 19 3.916 6.940 -1.600 162 HB3 ALA 19 HB3 ALA 19 4.367 8.485 -2.320 163 H GLN 20 HN GLN 20 5.340 6.782 1.500 164 HA GLN 20 HA GLN 20 5.004 9.212 2.968 165 HB2 GLN 20 HB2 GLN 20 4.899 6.322 3.536 166 HB3 GLN 20 HB1 GLN 20 5.411 7.322 4.888 167 HG2 GLN 20 HG2 GLN 20 3.394 8.464 4.973 168 HG3 GLN 20 HG1 GLN 20 2.957 8.011 3.326 169 HE21 GLN 20 HE21 GLN 20 2.813 5.548 3.037 170 HE22 GLN 20 HE22 GLN 20 1.928 4.706 4.260 171 H LEU 21 HN LEU 21 7.522 6.684 3.008 172 HA LEU 21 HA LEU 21 9.236 7.954 4.808 173 HB2 LEU 21 HB2 LEU 21 11.018 6.528 3.797 174 HB3 LEU 21 HB1 LEU 21 9.587 5.657 4.314 175 HG LEU 21 HG LEU 21 8.933 6.058 1.740 176 HD11 LEU 21 HD11 LEU 21 10.899 5.721 0.336 177 HD12 LEU 21 HD12 LEU 21 11.940 5.848 1.754 178 HD13 LEU 21 HD13 LEU 21 11.000 7.242 1.223 179 HD21 LEU 21 HD21 LEU 21 10.698 3.787 1.870 180 HD22 LEU 21 HD22 LEU 21 8.938 3.836 1.781 181 HD23 LEU 21 HD23 LEU 21 9.744 3.919 3.347 182 H SER 22 HN SER 22 8.556 8.687 1.523 183 HA SER 22 HA SER 22 11.032 10.129 1.092 184 HB2 SER 22 HB2 SER 22 9.403 8.882 -0.643 185 HB3 SER 22 HB1 SER 22 8.731 10.509 -0.749 186 HG SER 22 HG SER 22 10.525 11.211 -1.657 187 H SER 23 HN SER 23 7.658 10.826 1.795 188 HA SER 23 HA SER 23 6.817 12.649 2.947 189 HB2 SER 23 HB2 SER 23 9.176 14.343 2.152 190 HB3 SER 23 HB1 SER 23 8.090 14.537 3.527 191 HG SER 23 HG SER 23 10.299 13.608 3.880 192 H LYS 24 HN LYS 24 6.510 11.822 0.243 193 HA LYS 24 HA LYS 24 5.532 12.458 -1.682 194 HB2 LYS 24 HB2 LYS 24 4.268 13.849 0.310 195 HB3 LYS 24 HB1 LYS 24 4.738 15.141 -0.785 196 HG2 LYS 24 HG2 LYS 24 2.603 14.534 -1.486 197 HG3 LYS 24 HG1 LYS 24 3.679 13.726 -2.628 198 HD2 LYS 24 HD2 LYS 24 3.410 11.877 -0.601 199 HD3 LYS 24 HD1 LYS 24 1.802 12.597 -0.704 200 HE2 LYS 24 HE2 LYS 24 2.544 12.204 -3.348 201 HE3 LYS 24 HE1 LYS 24 3.140 10.769 -2.514 202 HZ1 LYS 24 HZ1 LYS 24 0.690 11.007 -1.473 203 HZ2 LYS 24 HZ2 LYS 24 1.052 10.055 -2.823 204 HZ3 LYS 24 HZ3 LYS 24 0.420 11.610 -3.031 205 H LYS 25 HN LYS 25 8.154 12.765 -1.840 206 HA LYS 25 HA LYS 25 8.450 15.206 -3.436 207 HB2 LYS 25 HB2 LYS 25 9.901 14.541 -0.988 208 HB3 LYS 25 HB1 LYS 25 10.970 14.865 -2.346 209 HG2 LYS 25 HG2 LYS 25 8.787 16.795 -2.021 210 HG3 LYS 25 HG1 LYS 25 9.949 16.752 -0.693 211 HD2 LYS 25 HD2 LYS 25 10.854 18.325 -2.155 212 HD3 LYS 25 HD1 LYS 25 11.739 16.848 -2.543 213 HE2 LYS 25 HE2 LYS 25 9.974 16.471 -4.347 214 HE3 LYS 25 HE1 LYS 25 9.503 18.147 -4.073 215 HZ1 LYS 25 HZ1 LYS 25 11.411 17.339 -5.795 216 HZ2 LYS 25 HZ2 LYS 25 12.336 17.772 -4.447 217 HZ3 LYS 25 HZ3 LYS 25 11.291 18.899 -5.153 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 -9.662 -6.453 -3.971 2 H2 LYS 1 HT2 LYS 1 -10.663 -5.620 -5.089 3 H3 LYS 1 HT3 LYS 1 -10.309 -7.283 -5.323 4 HA LYS 1 HA LYS 1 -11.728 -6.235 -2.976 5 HB2 LYS 1 HB2 LYS 1 -12.689 -7.076 -5.694 6 HB3 LYS 1 HB1 LYS 1 -13.714 -7.302 -4.283 7 HG2 LYS 1 HG2 LYS 1 -13.898 -5.008 -3.900 8 HG3 LYS 1 HG1 LYS 1 -12.508 -4.635 -4.920 9 HD2 LYS 1 HD2 LYS 1 -13.947 -4.229 -6.572 10 HD3 LYS 1 HD1 LYS 1 -14.287 -5.960 -6.605 11 HE2 LYS 1 HE2 LYS 1 -16.163 -5.717 -5.193 12 HE3 LYS 1 HE1 LYS 1 -15.708 -4.074 -4.744 13 HZ1 LYS 1 HZ1 LYS 1 -16.284 -4.702 -7.559 14 HZ2 LYS 1 HZ2 LYS 1 -16.439 -3.232 -6.737 15 HZ3 LYS 1 HZ3 LYS 1 -17.567 -4.466 -6.481 16 H LYS 2 HN LYS 2 -12.409 -7.809 -1.589 17 HA LYS 2 HA LYS 2 -12.555 -9.866 -0.559 18 HB2 LYS 2 HB2 LYS 2 -13.057 -10.400 -3.331 19 HB3 LYS 2 HB1 LYS 2 -11.965 -11.661 -2.760 20 HG2 LYS 2 HG2 LYS 2 -14.430 -10.945 -1.212 21 HG3 LYS 2 HG1 LYS 2 -14.499 -12.044 -2.591 22 HD2 LYS 2 HD2 LYS 2 -12.370 -13.016 -1.155 23 HD3 LYS 2 HD1 LYS 2 -13.476 -12.480 0.112 24 HE2 LYS 2 HE2 LYS 2 -14.042 -14.726 -0.321 25 HE3 LYS 2 HE1 LYS 2 -15.283 -13.759 -1.116 26 HZ1 LYS 2 HZ1 LYS 2 -14.488 -14.276 -3.188 27 HZ2 LYS 2 HZ2 LYS 2 -14.163 -15.718 -2.366 28 HZ3 LYS 2 HZ3 LYS 2 -12.920 -14.605 -2.644 29 H SER 3 HN SER 3 -10.239 -10.592 -3.181 30 HA SER 3 HA SER 3 -8.297 -11.398 -1.134 31 HB2 SER 3 HB2 SER 3 -9.101 -12.591 -3.534 32 HB3 SER 3 HB1 SER 3 -7.488 -11.958 -3.863 33 HG SER 3 HG SER 3 -8.280 -14.012 -2.208 34 H HIS 4 HN HIS 4 -8.446 -9.558 -4.183 35 HA HIS 4 HA HIS 4 -5.857 -8.546 -4.171 36 HB2 HIS 4 HB2 HIS 4 -7.851 -8.352 -5.908 37 HB3 HIS 4 HB1 HIS 4 -8.078 -6.793 -5.122 38 HD1 HIS 4 HD1 HIS 4 -6.746 -4.939 -6.073 39 HD2 HIS 4 HD2 HIS 4 -5.048 -8.642 -6.892 40 HE1 HIS 4 HE1 HIS 4 -4.767 -4.460 -7.549 41 HE2 HIS 4 HE2 HIS 4 -3.696 -6.705 -7.944 42 H THR 5 HN THR 5 -8.485 -7.770 -2.098 43 HA THR 5 HA THR 5 -7.362 -5.197 -1.342 44 HB THR 5 HB THR 5 -9.789 -5.369 -1.520 45 HG1 THR 5 HG1 THR 5 -10.164 -4.262 0.274 46 HG21 THR 5 HG21 THR 5 -11.081 -6.652 0.131 47 HG22 THR 5 HG22 THR 5 -9.589 -7.428 0.662 48 HG23 THR 5 HG23 THR 5 -10.176 -7.679 -0.982 49 H ALA 6 HN ALA 6 -7.858 -8.426 0.013 50 HA ALA 6 HA ALA 6 -6.969 -7.932 2.617 51 HB1 ALA 6 HB1 ALA 6 -6.826 -10.431 0.939 52 HB2 ALA 6 HB2 ALA 6 -8.060 -9.997 2.123 53 HB3 ALA 6 HB3 ALA 6 -6.422 -10.377 2.655 54 H SER 7 HN SER 7 -5.091 -9.556 0.068 55 HA SER 7 HA SER 7 -2.570 -9.134 1.346 56 HB2 SER 7 HB2 SER 7 -3.545 -10.634 -0.840 57 HB3 SER 7 HB1 SER 7 -2.318 -9.552 -1.500 58 HG SER 7 HG SER 7 -0.827 -10.399 -0.112 59 H TYR 8 HN TYR 8 -4.520 -6.806 0.008 60 HA TYR 8 HA TYR 8 -2.453 -5.484 -1.443 61 HB2 TYR 8 HB2 TYR 8 -4.037 -4.163 -2.200 62 HB3 TYR 8 HB1 TYR 8 -5.220 -5.012 -1.198 63 HD1 TYR 8 HD1 TYR 8 -4.996 -2.072 -2.231 64 HD2 TYR 8 HD2 TYR 8 -4.156 -3.925 1.528 65 HE1 TYR 8 HE1 TYR 8 -5.344 0.080 -1.107 66 HE2 TYR 8 HE2 TYR 8 -4.484 -1.737 2.641 67 HH TYR 8 HH TYR 8 -5.912 0.447 2.033 68 H LEU 9 HN LEU 9 -3.576 -5.533 1.875 69 HA LEU 9 HA LEU 9 -2.031 -3.250 2.553 70 HB2 LEU 9 HB2 LEU 9 -3.603 -5.233 4.048 71 HB3 LEU 9 HB1 LEU 9 -2.242 -4.554 4.921 72 HG LEU 9 HG LEU 9 -3.446 -2.317 3.821 73 HD11 LEU 9 HD11 LEU 9 -5.760 -2.454 4.097 74 HD12 LEU 9 HD12 LEU 9 -5.664 -3.956 5.016 75 HD13 LEU 9 HD13 LEU 9 -5.353 -3.963 3.280 76 HD21 LEU 9 HD21 LEU 9 -4.502 -2.550 6.381 77 HD22 LEU 9 HD22 LEU 9 -2.952 -1.833 5.946 78 HD23 LEU 9 HD23 LEU 9 -3.033 -3.525 6.434 79 H ARG 10 HN ARG 10 -1.392 -6.201 1.493 80 HA ARG 10 HA ARG 10 1.051 -6.730 2.884 81 HB2 ARG 10 HB2 ARG 10 -0.416 -8.265 0.759 82 HB3 ARG 10 HB1 ARG 10 1.015 -8.820 1.602 83 HG2 ARG 10 HG2 ARG 10 -1.095 -9.796 2.460 84 HG3 ARG 10 HG1 ARG 10 -0.153 -8.947 3.678 85 HD2 ARG 10 HD2 ARG 10 -2.358 -7.434 2.276 86 HD3 ARG 10 HD1 ARG 10 -2.775 -8.637 3.493 87 HE ARG 10 HE ARG 10 -1.755 -6.065 3.951 88 HH11 ARG 10 HH11 ARG 10 -1.527 -9.345 5.130 89 HH12 ARG 10 HH12 ARG 10 -1.080 -8.878 6.736 90 HH21 ARG 10 HH21 ARG 10 -1.150 -5.449 6.084 91 HH22 ARG 10 HH22 ARG 10 -0.870 -6.670 7.277 92 H LEU 11 HN LEU 11 -0.224 -5.747 -0.204 93 HA LEU 11 HA LEU 11 2.387 -5.550 -1.517 94 HB2 LEU 11 HB2 LEU 11 1.184 -5.819 -3.403 95 HB3 LEU 11 HB1 LEU 11 -0.200 -6.120 -2.381 96 HG LEU 11 HG LEU 11 0.113 -3.237 -2.871 97 HD11 LEU 11 HD11 LEU 11 -0.382 -3.249 -5.219 98 HD12 LEU 11 HD12 LEU 11 -0.319 -5.011 -5.273 99 HD13 LEU 11 HD13 LEU 11 1.149 -4.085 -4.955 100 HD21 LEU 11 HD21 LEU 11 -1.984 -5.355 -3.119 101 HD22 LEU 11 HD22 LEU 11 -2.239 -3.754 -3.812 102 HD23 LEU 11 HD23 LEU 11 -1.940 -3.928 -2.080 103 H TRP 12 HN TRP 12 -0.430 -3.613 -1.144 104 HA TRP 12 HA TRP 12 0.420 -1.166 -1.809 105 HB2 TRP 12 HB2 TRP 12 -1.760 -1.034 -1.627 106 HB3 TRP 12 HB1 TRP 12 -1.827 -2.375 -0.510 107 HD1 TRP 12 HD1 TRP 12 -2.651 1.014 -0.800 108 HE1 TRP 12 HE1 TRP 12 -3.138 2.125 1.495 109 HE3 TRP 12 HE3 TRP 12 -0.547 -2.481 2.141 110 HZ2 TRP 12 HZ2 TRP 12 -2.667 1.499 4.229 111 HZ3 TRP 12 HZ3 TRP 12 -0.599 -2.227 4.579 112 HH2 TRP 12 HH2 TRP 12 -1.624 -0.250 5.610 113 H ALA 13 HN ALA 13 1.328 -2.912 0.989 114 HA ALA 13 HA ALA 13 1.842 -0.673 2.696 115 HB1 ALA 13 HB1 ALA 13 2.638 -3.567 2.819 116 HB2 ALA 13 HB2 ALA 13 1.426 -2.728 3.787 117 HB3 ALA 13 HB3 ALA 13 3.139 -2.385 4.027 118 H LEU 14 HN LEU 14 3.914 -2.882 0.822 119 HA LEU 14 HA LEU 14 6.228 -1.202 1.287 120 HB2 LEU 14 HB2 LEU 14 5.779 -3.902 0.587 121 HB3 LEU 14 HB1 LEU 14 6.665 -3.182 -0.744 122 HG LEU 14 HG LEU 14 8.245 -2.292 1.139 123 HD11 LEU 14 HD11 LEU 14 7.290 -2.839 3.140 124 HD12 LEU 14 HD12 LEU 14 8.309 -4.256 2.891 125 HD13 LEU 14 HD13 LEU 14 6.586 -4.334 2.524 126 HD21 LEU 14 HD21 LEU 14 9.630 -4.240 0.889 127 HD22 LEU 14 HD22 LEU 14 8.803 -3.932 -0.638 128 HD23 LEU 14 HD23 LEU 14 8.239 -5.220 0.425 129 H SER 15 HN SER 15 3.715 -1.320 -0.992 130 HA SER 15 HA SER 15 5.300 -0.093 -3.114 131 HB2 SER 15 HB2 SER 15 3.313 -1.916 -3.270 132 HB3 SER 15 HB1 SER 15 2.379 -0.433 -3.466 133 HG SER 15 HG SER 15 3.290 -1.434 -5.432 134 H LEU 16 HN LEU 16 2.330 0.599 -1.271 135 HA LEU 16 HA LEU 16 2.144 3.273 -2.249 136 HB2 LEU 16 HB2 LEU 16 0.319 1.662 -1.263 137 HB3 LEU 16 HB1 LEU 16 0.784 2.404 0.257 138 HG LEU 16 HG LEU 16 0.406 4.627 -1.196 139 HD11 LEU 16 HD11 LEU 16 -1.606 2.684 -2.314 140 HD12 LEU 16 HD12 LEU 16 -0.212 3.303 -3.199 141 HD13 LEU 16 HD13 LEU 16 -1.479 4.407 -2.665 142 HD21 LEU 16 HD21 LEU 16 -0.655 3.814 0.982 143 HD22 LEU 16 HD22 LEU 16 -1.956 3.189 -0.031 144 HD23 LEU 16 HD23 LEU 16 -1.597 4.916 -0.022 145 H ALA 17 HN ALA 17 4.198 1.898 -0.017 146 HA ALA 17 HA ALA 17 4.318 4.306 1.668 147 HB1 ALA 17 HB1 ALA 17 5.724 3.170 3.199 148 HB2 ALA 17 HB2 ALA 17 6.040 1.853 2.076 149 HB3 ALA 17 HB3 ALA 17 4.431 2.047 2.790 150 H HIS 18 HN HIS 18 6.154 2.650 -0.803 151 HA HIS 18 HA HIS 18 8.594 4.005 -0.451 152 HB2 HIS 18 HB2 HIS 18 9.160 3.282 -2.696 153 HB3 HIS 18 HB1 HIS 18 8.362 1.977 -1.830 154 HD1 HIS 18 HD1 HIS 18 7.345 0.728 -3.736 155 HD2 HIS 18 HD2 HIS 18 6.465 4.787 -3.874 156 HE1 HIS 18 HE1 HIS 18 5.681 0.993 -5.601 157 HE2 HIS 18 HE2 HIS 18 5.119 3.448 -5.626 158 H ALA 19 HN ALA 19 5.590 5.163 -1.547 159 HA ALA 19 HA ALA 19 6.653 7.248 -3.237 160 HB1 ALA 19 HB1 ALA 19 4.419 7.901 -3.607 161 HB2 ALA 19 HB2 ALA 19 3.858 7.100 -2.139 162 HB3 ALA 19 HB3 ALA 19 4.390 6.139 -3.519 163 H GLN 20 HN GLN 20 5.404 6.947 0.048 164 HA GLN 20 HA GLN 20 5.480 9.746 0.603 165 HB2 GLN 20 HB2 GLN 20 4.997 7.262 2.160 166 HB3 GLN 20 HB1 GLN 20 5.482 8.693 3.059 167 HG2 GLN 20 HG2 GLN 20 3.393 9.402 3.015 168 HG3 GLN 20 HG1 GLN 20 3.485 9.514 1.257 169 HE21 GLN 20 HE21 GLN 20 3.286 7.259 0.190 170 HE22 GLN 20 HE22 GLN 20 1.966 6.298 0.755 171 H LEU 21 HN LEU 21 7.935 7.496 0.233 172 HA LEU 21 HA LEU 21 9.701 8.452 2.280 173 HB2 LEU 21 HB2 LEU 21 10.215 6.786 -0.183 174 HB3 LEU 21 HB1 LEU 21 11.419 7.133 1.044 175 HG LEU 21 HG LEU 21 8.891 5.526 1.402 176 HD11 LEU 21 HD11 LEU 21 10.276 3.650 1.631 177 HD12 LEU 21 HD12 LEU 21 11.729 4.635 1.801 178 HD13 LEU 21 HD13 LEU 21 10.920 4.519 0.238 179 HD21 LEU 21 HD21 LEU 21 10.602 6.894 3.340 180 HD22 LEU 21 HD22 LEU 21 10.374 5.176 3.669 181 HD23 LEU 21 HD23 LEU 21 8.974 6.239 3.522 182 H SER 22 HN SER 22 9.417 8.925 -1.224 183 HA SER 22 HA SER 22 11.476 10.999 -1.123 184 HB2 SER 22 HB2 SER 22 10.503 9.159 -3.141 185 HB3 SER 22 HB1 SER 22 10.510 10.814 -3.748 186 HG SER 22 HG SER 22 12.520 9.843 -4.099 187 H SER 23 HN SER 23 8.783 11.353 0.056 188 HA SER 23 HA SER 23 7.871 13.619 -1.592 189 HB2 SER 23 HB2 SER 23 6.396 11.467 -0.248 190 HB3 SER 23 HB1 SER 23 5.757 13.077 0.080 191 HG SER 23 HG SER 23 4.837 12.839 -1.794 192 H LYS 24 HN LYS 24 9.370 12.770 1.289 193 HA LYS 24 HA LYS 24 9.748 13.809 3.282 194 HB2 LYS 24 HB2 LYS 24 10.453 16.114 3.087 195 HB3 LYS 24 HB1 LYS 24 11.001 15.215 1.680 196 HG2 LYS 24 HG2 LYS 24 9.492 16.258 0.265 197 HG3 LYS 24 HG1 LYS 24 8.442 16.757 1.592 198 HD2 LYS 24 HD2 LYS 24 11.130 17.845 1.824 199 HD3 LYS 24 HD1 LYS 24 10.334 18.323 0.323 200 HE2 LYS 24 HE2 LYS 24 8.834 19.622 1.384 201 HE3 LYS 24 HE1 LYS 24 8.649 18.488 2.722 202 HZ1 LYS 24 HZ1 LYS 24 10.252 19.498 3.918 203 HZ2 LYS 24 HZ2 LYS 24 9.840 20.838 2.971 204 HZ3 LYS 24 HZ3 LYS 24 11.188 19.900 2.567 205 H LYS 25 HN LYS 25 7.009 13.242 2.879 206 HA LYS 25 HA LYS 25 4.955 13.701 3.735 207 HB2 LYS 25 HB2 LYS 25 6.780 14.311 5.696 208 HB3 LYS 25 HB1 LYS 25 5.833 15.789 5.598 209 HG2 LYS 25 HG2 LYS 25 3.993 14.830 6.471 210 HG3 LYS 25 HG1 LYS 25 4.286 13.285 5.670 211 HD2 LYS 25 HD2 LYS 25 5.538 12.478 7.385 212 HD3 LYS 25 HD1 LYS 25 6.187 14.066 7.800 213 HE2 LYS 25 HE2 LYS 25 3.656 14.489 8.486 214 HE3 LYS 25 HE1 LYS 25 3.684 12.738 8.685 215 HZ1 LYS 25 HZ1 LYS 25 5.124 12.864 10.420 216 HZ2 LYS 25 HZ2 LYS 25 4.354 14.356 10.626 217 HZ3 LYS 25 HZ3 LYS 25 5.866 14.283 9.872 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 -13.859 -8.199 1.252 2 H2 LYS 1 HT2 LYS 1 -12.587 -7.630 0.251 3 H3 LYS 1 HT3 LYS 1 -12.790 -9.314 0.510 4 HA LYS 1 HA LYS 1 -15.054 -9.022 -0.490 5 HB2 LYS 1 HB2 LYS 1 -13.672 -6.438 -1.211 6 HB3 LYS 1 HB1 LYS 1 -15.021 -7.074 -2.142 7 HG2 LYS 1 HG2 LYS 1 -15.339 -6.752 0.798 8 HG3 LYS 1 HG1 LYS 1 -15.398 -5.321 -0.233 9 HD2 LYS 1 HD2 LYS 1 -17.429 -5.843 -1.019 10 HD3 LYS 1 HD1 LYS 1 -16.993 -7.536 -1.260 11 HE2 LYS 1 HE2 LYS 1 -17.691 -6.314 1.406 12 HE3 LYS 1 HE1 LYS 1 -18.829 -7.189 0.382 13 HZ1 LYS 1 HZ1 LYS 1 -16.349 -8.574 0.974 14 HZ2 LYS 1 HZ2 LYS 1 -17.934 -9.163 0.927 15 HZ3 LYS 1 HZ3 LYS 1 -17.379 -8.337 2.295 16 H LYS 2 HN LYS 2 -12.337 -7.572 -2.260 17 HA LYS 2 HA LYS 2 -12.331 -9.938 -4.025 18 HB2 LYS 2 HB2 LYS 2 -12.231 -7.088 -4.525 19 HB3 LYS 2 HB1 LYS 2 -10.733 -7.811 -5.112 20 HG2 LYS 2 HG2 LYS 2 -12.065 -9.428 -6.420 21 HG3 LYS 2 HG1 LYS 2 -13.536 -8.616 -5.879 22 HD2 LYS 2 HD2 LYS 2 -12.018 -6.536 -6.830 23 HD3 LYS 2 HD1 LYS 2 -11.616 -7.846 -7.942 24 HE2 LYS 2 HE2 LYS 2 -14.149 -8.225 -8.095 25 HE3 LYS 2 HE1 LYS 2 -14.297 -6.631 -7.357 26 HZ1 LYS 2 HZ1 LYS 2 -14.396 -6.402 -9.717 27 HZ2 LYS 2 HZ2 LYS 2 -12.969 -7.284 -9.930 28 HZ3 LYS 2 HZ3 LYS 2 -12.918 -5.760 -9.198 29 H SER 3 HN SER 3 -9.971 -10.001 -5.146 30 HA SER 3 HA SER 3 -8.204 -10.779 -3.010 31 HB2 SER 3 HB2 SER 3 -8.598 -11.684 -5.568 32 HB3 SER 3 HB1 SER 3 -7.105 -10.761 -5.741 33 HG SER 3 HG SER 3 -6.894 -13.040 -5.110 34 H HIS 4 HN HIS 4 -8.586 -8.062 -5.115 35 HA HIS 4 HA HIS 4 -5.979 -7.024 -5.066 36 HB2 HIS 4 HB2 HIS 4 -8.589 -6.167 -5.939 37 HB3 HIS 4 HB1 HIS 4 -7.752 -4.837 -5.145 38 HD1 HIS 4 HD1 HIS 4 -7.723 -6.925 -8.207 39 HD2 HIS 4 HD2 HIS 4 -5.367 -3.996 -6.438 40 HE1 HIS 4 HE1 HIS 4 -6.124 -6.178 -9.997 41 HE2 HIS 4 HE2 HIS 4 -4.636 -4.487 -8.870 42 H THR 5 HN THR 5 -8.745 -6.463 -2.900 43 HA THR 5 HA THR 5 -7.359 -4.565 -1.288 44 HB THR 5 HB THR 5 -9.768 -4.508 -1.358 45 HG1 THR 5 HG1 THR 5 -8.943 -5.418 1.198 46 HG21 THR 5 HG21 THR 5 -9.673 -7.288 -0.220 47 HG22 THR 5 HG22 THR 5 -10.373 -6.776 -1.755 48 HG23 THR 5 HG23 THR 5 -11.112 -6.270 -0.236 49 H ALA 6 HN ALA 6 -7.928 -8.036 -1.075 50 HA ALA 6 HA ALA 6 -7.030 -8.495 1.517 51 HB1 ALA 6 HB1 ALA 6 -7.881 -10.423 0.730 52 HB2 ALA 6 HB2 ALA 6 -6.211 -10.740 0.259 53 HB3 ALA 6 HB3 ALA 6 -7.355 -10.102 -0.923 54 H SER 7 HN SER 7 -5.087 -9.363 -1.320 55 HA SER 7 HA SER 7 -2.605 -9.292 0.063 56 HB2 SER 7 HB2 SER 7 -2.947 -9.047 -2.928 57 HB3 SER 7 HB1 SER 7 -1.609 -9.770 -2.035 58 HG SER 7 HG SER 7 -4.108 -10.812 -2.659 59 H TYR 8 HN TYR 8 -4.483 -6.637 -0.660 60 HA TYR 8 HA TYR 8 -2.372 -5.020 -1.673 61 HB2 TYR 8 HB2 TYR 8 -3.947 -3.541 -2.066 62 HB3 TYR 8 HB1 TYR 8 -5.135 -4.562 -1.247 63 HD1 TYR 8 HD1 TYR 8 -4.107 -4.238 1.613 64 HD2 TYR 8 HD2 TYR 8 -4.656 -1.440 -1.567 65 HE1 TYR 8 HE1 TYR 8 -4.296 -2.376 3.240 66 HE2 TYR 8 HE2 TYR 8 -4.874 0.386 0.056 67 HH TYR 8 HH TYR 8 -4.856 -0.225 3.538 68 H LEU 9 HN LEU 9 -3.543 -5.874 1.529 69 HA LEU 9 HA LEU 9 -1.893 -3.914 2.747 70 HB2 LEU 9 HB2 LEU 9 -3.641 -6.053 3.696 71 HB3 LEU 9 HB1 LEU 9 -2.223 -5.806 4.697 72 HG LEU 9 HG LEU 9 -3.260 -3.233 4.178 73 HD11 LEU 9 HD11 LEU 9 -5.335 -4.853 3.700 74 HD12 LEU 9 HD12 LEU 9 -5.512 -3.285 4.488 75 HD13 LEU 9 HD13 LEU 9 -5.462 -4.758 5.456 76 HD21 LEU 9 HD21 LEU 9 -3.169 -3.033 6.456 77 HD22 LEU 9 HD22 LEU 9 -2.133 -4.444 6.240 78 HD23 LEU 9 HD23 LEU 9 -3.812 -4.650 6.742 79 H ARG 10 HN ARG 10 -1.391 -6.551 1.008 80 HA ARG 10 HA ARG 10 1.016 -7.515 2.222 81 HB2 ARG 10 HB2 ARG 10 -0.523 -8.465 -0.178 82 HB3 ARG 10 HB1 ARG 10 0.861 -9.272 0.528 83 HG2 ARG 10 HG2 ARG 10 -1.273 -10.310 1.167 84 HG3 ARG 10 HG1 ARG 10 -0.353 -9.732 2.549 85 HD2 ARG 10 HD2 ARG 10 -2.445 -7.886 1.426 86 HD3 ARG 10 HD1 ARG 10 -2.978 -9.319 2.297 87 HE ARG 10 HE ARG 10 -1.762 -6.989 3.386 88 HH11 ARG 10 HH11 ARG 10 -2.328 -10.400 3.854 89 HH12 ARG 10 HH12 ARG 10 -2.058 -10.347 5.564 90 HH21 ARG 10 HH21 ARG 10 -1.379 -6.926 5.658 91 HH22 ARG 10 HH22 ARG 10 -1.523 -8.380 6.583 92 H LEU 11 HN LEU 11 -0.173 -5.635 -0.425 93 HA LEU 11 HA LEU 11 2.469 -5.340 -1.698 94 HB2 LEU 11 HB2 LEU 11 1.302 -5.120 -3.614 95 HB3 LEU 11 HB1 LEU 11 -0.110 -5.600 -2.705 96 HG LEU 11 HG LEU 11 0.284 -2.695 -2.512 97 HD11 LEU 11 HD11 LEU 11 -0.078 -2.107 -4.778 98 HD12 LEU 11 HD12 LEU 11 -0.208 -3.794 -5.274 99 HD13 LEU 11 HD13 LEU 11 1.346 -3.148 -4.747 100 HD21 LEU 11 HD21 LEU 11 -2.057 -3.044 -3.720 101 HD22 LEU 11 HD22 LEU 11 -1.823 -3.325 -1.992 102 HD23 LEU 11 HD23 LEU 11 -1.824 -4.684 -3.116 103 H TRP 12 HN TRP 12 -0.284 -3.422 -0.940 104 HA TRP 12 HA TRP 12 0.646 -0.927 -1.026 105 HB2 TRP 12 HB2 TRP 12 -1.522 -0.766 -0.759 106 HB3 TRP 12 HB1 TRP 12 -1.619 -2.330 0.011 107 HD1 TRP 12 HD1 TRP 12 -2.255 1.084 0.549 108 HE1 TRP 12 HE1 TRP 12 -2.699 1.621 3.052 109 HE3 TRP 12 HE3 TRP 12 -0.385 -3.144 2.523 110 HZ2 TRP 12 HZ2 TRP 12 -2.290 0.309 5.543 111 HZ3 TRP 12 HZ3 TRP 12 -0.440 -3.499 4.948 112 HH2 TRP 12 HH2 TRP 12 -1.359 -1.783 6.442 113 H ALA 13 HN ALA 13 1.345 -3.305 1.393 114 HA ALA 13 HA ALA 13 2.100 -1.476 3.463 115 HB1 ALA 13 HB1 ALA 13 2.138 -4.396 3.075 116 HB2 ALA 13 HB2 ALA 13 1.652 -3.443 4.477 117 HB3 ALA 13 HB3 ALA 13 3.361 -3.743 4.166 118 H LEU 14 HN LEU 14 4.074 -3.764 1.556 119 HA LEU 14 HA LEU 14 6.542 -2.659 2.221 120 HB2 LEU 14 HB2 LEU 14 5.514 -4.439 0.112 121 HB3 LEU 14 HB1 LEU 14 6.993 -3.593 -0.297 122 HG LEU 14 HG LEU 14 7.363 -4.625 2.307 123 HD11 LEU 14 HD11 LEU 14 6.070 -6.431 2.408 124 HD12 LEU 14 HD12 LEU 14 7.110 -7.125 1.165 125 HD13 LEU 14 HD13 LEU 14 5.618 -6.303 0.708 126 HD21 LEU 14 HD21 LEU 14 8.588 -6.166 0.168 127 HD22 LEU 14 HD22 LEU 14 9.333 -5.167 1.416 128 HD23 LEU 14 HD23 LEU 14 8.746 -4.426 -0.072 129 H SER 15 HN SER 15 4.138 -1.579 -0.029 130 HA SER 15 HA SER 15 5.974 0.330 -1.253 131 HB2 SER 15 HB2 SER 15 3.445 -0.919 -2.028 132 HB3 SER 15 HB1 SER 15 3.486 0.813 -2.353 133 HG SER 15 HG SER 15 5.586 -0.924 -3.113 134 H LEU 16 HN LEU 16 4.194 0.251 1.494 135 HA LEU 16 HA LEU 16 2.880 2.778 1.403 136 HB2 LEU 16 HB2 LEU 16 2.235 0.969 2.953 137 HB3 LEU 16 HB1 LEU 16 3.760 1.156 3.793 138 HG LEU 16 HG LEU 16 2.116 3.600 3.575 139 HD11 LEU 16 HD11 LEU 16 0.771 2.833 5.578 140 HD12 LEU 16 HD12 LEU 16 1.251 1.191 5.151 141 HD13 LEU 16 HD13 LEU 16 0.306 2.157 4.017 142 HD21 LEU 16 HD21 LEU 16 4.060 3.836 4.832 143 HD22 LEU 16 HD22 LEU 16 3.864 2.265 5.611 144 HD23 LEU 16 HD23 LEU 16 2.807 3.607 6.052 145 H ALA 17 HN ALA 17 6.118 1.763 1.990 146 HA ALA 17 HA ALA 17 6.819 4.342 3.231 147 HB1 ALA 17 HB1 ALA 17 8.798 2.113 2.730 148 HB2 ALA 17 HB2 ALA 17 7.795 2.206 4.187 149 HB3 ALA 17 HB3 ALA 17 8.938 3.491 3.817 150 H HIS 18 HN HIS 18 7.557 2.453 0.322 151 HA HIS 18 HA HIS 18 9.434 4.268 -0.742 152 HB2 HIS 18 HB2 HIS 18 9.493 2.919 -2.599 153 HB3 HIS 18 HB1 HIS 18 8.823 1.800 -1.421 154 HD1 HIS 18 HD1 HIS 18 5.867 2.958 -1.593 155 HD2 HIS 18 HD2 HIS 18 8.249 1.813 -4.797 156 HE1 HIS 18 HE1 HIS 18 4.270 2.417 -3.457 157 HE2 HIS 18 HE2 HIS 18 5.730 1.622 -5.349 158 H ALA 19 HN ALA 19 6.088 4.606 -0.356 159 HA ALA 19 HA ALA 19 5.749 6.370 -2.641 160 HB1 ALA 19 HB1 ALA 19 4.010 4.708 -1.505 161 HB2 ALA 19 HB2 ALA 19 3.507 6.186 -2.324 162 HB3 ALA 19 HB3 ALA 19 3.645 6.155 -0.566 163 H GLN 20 HN GLN 20 6.271 6.556 0.803 164 HA GLN 20 HA GLN 20 5.543 9.303 1.085 165 HB2 GLN 20 HB2 GLN 20 6.581 7.175 2.784 166 HB3 GLN 20 HB1 GLN 20 7.303 8.735 3.154 167 HG2 GLN 20 HG2 GLN 20 5.309 9.655 3.822 168 HG3 GLN 20 HG1 GLN 20 4.347 8.532 2.862 169 HE21 GLN 20 HE21 GLN 20 4.861 6.140 3.579 170 HE22 GLN 20 HE22 GLN 20 4.714 5.871 5.279 171 H LEU 21 HN LEU 21 8.671 7.614 0.922 172 HA LEU 21 HA LEU 21 10.284 9.906 1.016 173 HB2 LEU 21 HB2 LEU 21 12.030 8.440 -0.006 174 HB3 LEU 21 HB1 LEU 21 11.278 7.791 1.438 175 HG LEU 21 HG LEU 21 9.716 6.648 -0.444 176 HD11 LEU 21 HD11 LEU 21 11.102 7.695 -2.238 177 HD12 LEU 21 HD12 LEU 21 11.000 5.936 -2.320 178 HD13 LEU 21 HD13 LEU 21 12.456 6.706 -1.688 179 HD21 LEU 21 HD21 LEU 21 10.497 5.108 1.002 180 HD22 LEU 21 HD22 LEU 21 12.098 5.843 1.083 181 HD23 LEU 21 HD23 LEU 21 11.676 4.796 -0.272 182 H SER 22 HN SER 22 8.296 8.708 -1.486 183 HA SER 22 HA SER 22 9.777 9.792 -3.682 184 HB2 SER 22 HB2 SER 22 7.022 8.637 -3.360 185 HB3 SER 22 HB1 SER 22 7.485 9.443 -4.859 186 HG SER 22 HG SER 22 7.871 7.148 -4.842 187 H SER 23 HN SER 23 7.482 11.036 -1.411 188 HA SER 23 HA SER 23 7.849 13.698 -2.376 189 HB2 SER 23 HB2 SER 23 5.564 12.188 -3.341 190 HB3 SER 23 HB1 SER 23 5.057 13.625 -2.453 191 HG SER 23 HG SER 23 5.713 14.797 -4.059 192 H LYS 24 HN LYS 24 8.579 13.739 -0.152 193 HA LYS 24 HA LYS 24 6.589 13.448 1.936 194 HB2 LYS 24 HB2 LYS 24 9.479 13.561 1.782 195 HB3 LYS 24 HB1 LYS 24 8.874 14.642 3.030 196 HG2 LYS 24 HG2 LYS 24 7.418 12.383 3.492 197 HG3 LYS 24 HG1 LYS 24 8.961 11.723 2.946 198 HD2 LYS 24 HD2 LYS 24 9.554 13.831 4.730 199 HD3 LYS 24 HD1 LYS 24 8.281 12.868 5.482 200 HE2 LYS 24 HE2 LYS 24 9.597 10.862 5.248 201 HE3 LYS 24 HE1 LYS 24 10.831 11.734 4.341 202 HZ1 LYS 24 HZ1 LYS 24 10.241 12.847 6.941 203 HZ2 LYS 24 HZ2 LYS 24 11.733 12.550 6.204 204 HZ3 LYS 24 HZ3 LYS 24 10.913 11.295 6.986 205 H LYS 25 HN LYS 25 6.229 15.199 3.517 206 HA LYS 25 HA LYS 25 6.722 17.910 2.652 207 HB2 LYS 25 HB2 LYS 25 4.470 16.765 1.637 208 HB3 LYS 25 HB1 LYS 25 3.847 17.460 3.127 209 HG2 LYS 25 HG2 LYS 25 5.425 19.462 1.997 210 HG3 LYS 25 HG1 LYS 25 4.539 18.748 0.648 211 HD2 LYS 25 HD2 LYS 25 3.037 19.348 3.142 212 HD3 LYS 25 HD1 LYS 25 3.518 20.704 2.120 213 HE2 LYS 25 HE2 LYS 25 2.248 19.954 0.318 214 HE3 LYS 25 HE1 LYS 25 2.158 18.308 0.945 215 HZ1 LYS 25 HZ1 LYS 25 0.498 18.857 2.403 216 HZ2 LYS 25 HZ2 LYS 25 0.122 19.891 1.119 217 HZ3 LYS 25 HZ3 LYS 25 0.929 20.491 2.478 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 -11.431 -4.463 -1.359 2 H2 LYS 1 HT2 LYS 1 -11.433 -3.099 -2.400 3 H3 LYS 1 HT3 LYS 1 -10.422 -4.442 -2.745 4 HA LYS 1 HA LYS 1 -13.328 -4.190 -2.970 5 HB2 LYS 1 HB2 LYS 1 -11.098 -5.149 -4.777 6 HB3 LYS 1 HB1 LYS 1 -12.803 -5.154 -5.208 7 HG2 LYS 1 HG2 LYS 1 -12.859 -2.928 -5.577 8 HG3 LYS 1 HG1 LYS 1 -11.697 -2.575 -4.297 9 HD2 LYS 1 HD2 LYS 1 -9.915 -3.539 -5.780 10 HD3 LYS 1 HD1 LYS 1 -11.120 -3.613 -7.067 11 HE2 LYS 1 HE2 LYS 1 -11.230 -1.325 -7.282 12 HE3 LYS 1 HE1 LYS 1 -10.702 -1.039 -5.625 13 HZ1 LYS 1 HZ1 LYS 1 -9.144 -1.281 -8.021 14 HZ2 LYS 1 HZ2 LYS 1 -8.565 -2.262 -6.770 15 HZ3 LYS 1 HZ3 LYS 1 -8.732 -0.596 -6.529 16 H LYS 2 HN LYS 2 -10.845 -6.699 -3.467 17 HA LYS 2 HA LYS 2 -12.119 -8.543 -1.683 18 HB2 LYS 2 HB2 LYS 2 -13.032 -8.473 -4.423 19 HB3 LYS 2 HB1 LYS 2 -12.151 -9.981 -4.176 20 HG2 LYS 2 HG2 LYS 2 -13.590 -10.581 -2.344 21 HG3 LYS 2 HG1 LYS 2 -14.398 -9.014 -2.413 22 HD2 LYS 2 HD2 LYS 2 -15.845 -10.498 -3.522 23 HD3 LYS 2 HD1 LYS 2 -15.017 -9.618 -4.808 24 HE2 LYS 2 HE2 LYS 2 -13.435 -11.876 -4.199 25 HE3 LYS 2 HE1 LYS 2 -15.104 -12.433 -4.316 26 HZ1 LYS 2 HZ1 LYS 2 -14.450 -12.550 -6.485 27 HZ2 LYS 2 HZ2 LYS 2 -13.397 -11.230 -6.374 28 HZ3 LYS 2 HZ3 LYS 2 -15.067 -10.974 -6.463 29 H SER 3 HN SER 3 -10.189 -8.651 -4.694 30 HA SER 3 HA SER 3 -8.277 -10.425 -3.387 31 HB2 SER 3 HB2 SER 3 -8.926 -9.703 -6.199 32 HB3 SER 3 HB1 SER 3 -7.257 -10.155 -5.854 33 HG SER 3 HG SER 3 -8.292 -12.033 -6.309 34 H HIS 4 HN HIS 4 -8.438 -7.227 -4.874 35 HA HIS 4 HA HIS 4 -5.697 -6.593 -4.676 36 HB2 HIS 4 HB2 HIS 4 -8.088 -5.300 -5.528 37 HB3 HIS 4 HB1 HIS 4 -7.269 -4.220 -4.406 38 HD1 HIS 4 HD1 HIS 4 -4.352 -4.734 -5.156 39 HD2 HIS 4 HD2 HIS 4 -7.400 -4.257 -7.940 40 HE1 HIS 4 HE1 HIS 4 -3.217 -4.006 -7.278 41 HE2 HIS 4 HE2 HIS 4 -5.089 -3.640 -8.924 42 H THR 5 HN THR 5 -8.435 -5.706 -2.563 43 HA THR 5 HA THR 5 -7.045 -4.279 -0.649 44 HB THR 5 HB THR 5 -9.442 -4.298 -0.629 45 HG1 THR 5 HG1 THR 5 -8.645 -5.663 1.717 46 HG21 THR 5 HG21 THR 5 -10.752 -6.228 0.085 47 HG22 THR 5 HG22 THR 5 -9.291 -7.215 0.090 48 HG23 THR 5 HG23 THR 5 -9.895 -6.540 -1.423 49 H ALA 6 HN ALA 6 -7.619 -7.781 -0.771 50 HA ALA 6 HA ALA 6 -6.542 -8.502 1.672 51 HB1 ALA 6 HB1 ALA 6 -7.482 -9.841 -0.560 52 HB2 ALA 6 HB2 ALA 6 -6.933 -10.570 0.948 53 HB3 ALA 6 HB3 ALA 6 -5.814 -10.390 -0.402 54 H SER 7 HN SER 7 -4.760 -9.018 -1.351 55 HA SER 7 HA SER 7 -2.205 -9.094 -0.110 56 HB2 SER 7 HB2 SER 7 -2.731 -8.482 -3.022 57 HB3 SER 7 HB1 SER 7 -1.324 -9.270 -2.309 58 HG SER 7 HG SER 7 -2.712 -11.016 -1.741 59 H TYR 8 HN TYR 8 -4.134 -6.394 -0.379 60 HA TYR 8 HA TYR 8 -2.093 -4.641 -1.305 61 HB2 TYR 8 HB2 TYR 8 -3.689 -3.141 -1.434 62 HB3 TYR 8 HB1 TYR 8 -4.832 -4.279 -0.711 63 HD1 TYR 8 HD1 TYR 8 -4.432 -1.138 -0.639 64 HD2 TYR 8 HD2 TYR 8 -3.661 -4.301 2.130 65 HE1 TYR 8 HE1 TYR 8 -4.606 0.459 1.213 66 HE2 TYR 8 HE2 TYR 8 -3.814 -2.668 3.982 67 HH TYR 8 HH TYR 8 -4.980 0.554 3.537 68 H LEU 9 HN LEU 9 -3.047 -5.914 1.826 69 HA LEU 9 HA LEU 9 -1.351 -4.068 3.166 70 HB2 LEU 9 HB2 LEU 9 -2.999 -6.344 3.986 71 HB3 LEU 9 HB1 LEU 9 -1.530 -6.143 4.921 72 HG LEU 9 HG LEU 9 -2.684 -3.572 4.708 73 HD11 LEU 9 HD11 LEU 9 -4.834 -4.319 4.209 74 HD12 LEU 9 HD12 LEU 9 -4.859 -4.186 5.968 75 HD13 LEU 9 HD13 LEU 9 -4.674 -5.765 5.206 76 HD21 LEU 9 HD21 LEU 9 -2.432 -3.568 6.981 77 HD22 LEU 9 HD22 LEU 9 -1.368 -4.913 6.568 78 HD23 LEU 9 HD23 LEU 9 -2.997 -5.228 7.164 79 H ARG 10 HN ARG 10 -0.960 -6.469 1.103 80 HA ARG 10 HA ARG 10 1.532 -7.535 2.022 81 HB2 ARG 10 HB2 ARG 10 -0.161 -8.226 -0.366 82 HB3 ARG 10 HB1 ARG 10 1.271 -9.089 0.153 83 HG2 ARG 10 HG2 ARG 10 -0.809 -10.227 0.803 84 HG3 ARG 10 HG1 ARG 10 0.193 -9.795 2.182 85 HD2 ARG 10 HD2 ARG 10 -1.974 -7.861 1.417 86 HD3 ARG 10 HD1 ARG 10 -2.450 -9.394 2.133 87 HE ARG 10 HE ARG 10 -1.197 -7.200 3.436 88 HH11 ARG 10 HH11 ARG 10 -1.637 -10.667 3.482 89 HH12 ARG 10 HH12 ARG 10 -1.264 -10.827 5.165 90 HH21 ARG 10 HH21 ARG 10 -0.679 -7.428 5.680 91 HH22 ARG 10 HH22 ARG 10 -0.726 -8.996 6.406 92 H LEU 11 HN LEU 11 0.137 -5.372 -0.287 93 HA LEU 11 HA LEU 11 2.673 -4.877 -1.703 94 HB2 LEU 11 HB2 LEU 11 1.370 -4.454 -3.489 95 HB3 LEU 11 HB1 LEU 11 0.021 -5.043 -2.550 96 HG LEU 11 HG LEU 11 0.445 -2.179 -2.041 97 HD11 LEU 11 HD11 LEU 11 -0.280 -1.438 -4.275 98 HD12 LEU 11 HD12 LEU 11 -0.005 -3.069 -4.889 99 HD13 LEU 11 HD13 LEU 11 1.348 -2.116 -4.278 100 HD21 LEU 11 HD21 LEU 11 -1.739 -4.047 -2.820 101 HD22 LEU 11 HD22 LEU 11 -1.968 -2.313 -3.047 102 HD23 LEU 11 HD23 LEU 11 -1.614 -2.954 -1.439 103 H TRP 12 HN TRP 12 -0.040 -3.102 -0.539 104 HA TRP 12 HA TRP 12 0.925 -0.608 -0.372 105 HB2 TRP 12 HB2 TRP 12 -1.231 -0.429 -0.022 106 HB3 TRP 12 HB1 TRP 12 -1.353 -2.086 0.519 107 HD1 TRP 12 HD1 TRP 12 -2.031 1.167 1.539 108 HE1 TRP 12 HE1 TRP 12 -2.330 1.390 4.107 109 HE3 TRP 12 HE3 TRP 12 0.078 -3.190 2.878 110 HZ2 TRP 12 HZ2 TRP 12 -1.734 -0.188 6.397 111 HZ3 TRP 12 HZ3 TRP 12 0.179 -3.835 5.242 112 HH2 TRP 12 HH2 TRP 12 -0.697 -2.341 6.983 113 H ALA 13 HN ALA 13 1.826 -3.261 1.593 114 HA ALA 13 HA ALA 13 2.579 -1.734 3.912 115 HB1 ALA 13 HB1 ALA 13 3.028 -4.589 3.090 116 HB2 ALA 13 HB2 ALA 13 1.954 -3.969 4.345 117 HB3 ALA 13 HB3 ALA 13 3.702 -3.906 4.571 118 H LEU 14 HN LEU 14 4.455 -3.630 1.533 119 HA LEU 14 HA LEU 14 6.956 -2.601 2.314 120 HB2 LEU 14 HB2 LEU 14 5.924 -4.010 -0.109 121 HB3 LEU 14 HB1 LEU 14 7.525 -3.298 -0.162 122 HG LEU 14 HG LEU 14 6.610 -5.374 1.832 123 HD11 LEU 14 HD11 LEU 14 7.537 -6.997 0.543 124 HD12 LEU 14 HD12 LEU 14 8.712 -5.904 -0.189 125 HD13 LEU 14 HD13 LEU 14 7.036 -5.892 -0.737 126 HD21 LEU 14 HD21 LEU 14 9.444 -5.118 1.580 127 HD22 LEU 14 HD22 LEU 14 8.432 -4.902 3.008 128 HD23 LEU 14 HD23 LEU 14 8.750 -3.536 1.939 129 H SER 15 HN SER 15 4.486 -1.393 0.201 130 HA SER 15 HA SER 15 6.220 0.702 -0.855 131 HB2 SER 15 HB2 SER 15 3.294 0.343 -1.480 132 HB3 SER 15 HB1 SER 15 4.535 1.131 -2.453 133 HG SER 15 HG SER 15 4.069 -1.611 -2.039 134 H LEU 16 HN LEU 16 4.584 0.313 1.929 135 HA LEU 16 HA LEU 16 3.120 2.760 2.074 136 HB2 LEU 16 HB2 LEU 16 3.413 0.446 3.654 137 HB3 LEU 16 HB1 LEU 16 3.919 1.787 4.661 138 HG LEU 16 HG LEU 16 1.302 1.836 3.181 139 HD11 LEU 16 HD11 LEU 16 0.316 1.126 5.399 140 HD12 LEU 16 HD12 LEU 16 1.937 0.590 5.840 141 HD13 LEU 16 HD13 LEU 16 1.114 -0.135 4.459 142 HD21 LEU 16 HD21 LEU 16 2.682 3.737 4.658 143 HD22 LEU 16 HD22 LEU 16 1.465 3.117 5.774 144 HD23 LEU 16 HD23 LEU 16 0.975 3.781 4.215 145 H ALA 17 HN ALA 17 6.375 1.756 2.869 146 HA ALA 17 HA ALA 17 6.955 4.415 3.990 147 HB1 ALA 17 HB1 ALA 17 7.828 2.379 5.204 148 HB2 ALA 17 HB2 ALA 17 9.013 3.627 4.834 149 HB3 ALA 17 HB3 ALA 17 8.961 2.162 3.860 150 H HIS 18 HN HIS 18 7.071 2.878 1.029 151 HA HIS 18 HA HIS 18 9.380 4.367 0.049 152 HB2 HIS 18 HB2 HIS 18 8.082 1.943 -0.673 153 HB3 HIS 18 HB1 HIS 18 7.970 3.035 -2.051 154 HD1 HIS 18 HD1 HIS 18 9.939 3.049 -3.536 155 HD2 HIS 18 HD2 HIS 18 10.893 1.757 0.296 156 HE1 HIS 18 HE1 HIS 18 12.367 2.392 -3.635 157 HE2 HIS 18 HE2 HIS 18 12.945 1.692 -1.283 158 H ALA 19 HN ALA 19 5.927 4.039 -0.761 159 HA ALA 19 HA ALA 19 5.670 5.893 -2.733 160 HB1 ALA 19 HB1 ALA 19 3.579 5.846 -0.612 161 HB2 ALA 19 HB2 ALA 19 3.909 4.381 -1.536 162 HB3 ALA 19 HB3 ALA 19 3.405 5.852 -2.367 163 H GLN 20 HN GLN 20 5.745 6.546 0.745 164 HA GLN 20 HA GLN 20 5.111 9.254 0.687 165 HB2 GLN 20 HB2 GLN 20 6.285 9.412 2.838 166 HB3 GLN 20 HB1 GLN 20 5.256 7.990 2.761 167 HG2 GLN 20 HG2 GLN 20 7.394 6.749 2.045 168 HG3 GLN 20 HG1 GLN 20 8.238 8.161 2.683 169 HE21 GLN 20 HE21 GLN 20 5.372 6.374 3.751 170 HE22 GLN 20 HE22 GLN 20 5.957 6.045 5.344 171 H LEU 21 HN LEU 21 8.200 7.633 0.168 172 HA LEU 21 HA LEU 21 9.761 10.003 0.074 173 HB2 LEU 21 HB2 LEU 21 10.256 7.234 -1.013 174 HB3 LEU 21 HB1 LEU 21 11.446 8.520 -1.056 175 HG LEU 21 HG LEU 21 10.231 7.661 1.549 176 HD11 LEU 21 HD11 LEU 21 12.072 6.098 1.856 177 HD12 LEU 21 HD12 LEU 21 12.630 6.414 0.213 178 HD13 LEU 21 HD13 LEU 21 11.072 5.631 0.480 179 HD21 LEU 21 HD21 LEU 21 13.045 8.434 1.378 180 HD22 LEU 21 HD22 LEU 21 11.780 8.982 2.478 181 HD23 LEU 21 HD23 LEU 21 11.925 9.699 0.873 182 H SER 22 HN SER 22 7.753 8.351 -2.203 183 HA SER 22 HA SER 22 8.672 10.161 -4.339 184 HB2 SER 22 HB2 SER 22 8.005 7.302 -4.326 185 HB3 SER 22 HB1 SER 22 7.227 8.205 -5.626 186 HG SER 22 HG SER 22 9.997 8.365 -5.053 187 H SER 23 HN SER 23 6.709 10.740 -2.236 188 HA SER 23 HA SER 23 4.574 11.656 -3.969 189 HB2 SER 23 HB2 SER 23 3.787 9.429 -3.222 190 HB3 SER 23 HB1 SER 23 3.950 9.952 -1.545 191 HG SER 23 HG SER 23 2.193 10.977 -3.518 192 H LYS 24 HN LYS 24 5.058 11.264 -0.456 193 HA LYS 24 HA LYS 24 5.668 13.992 -0.002 194 HB2 LYS 24 HB2 LYS 24 3.596 14.638 1.177 195 HB3 LYS 24 HB1 LYS 24 3.330 14.357 -0.538 196 HG2 LYS 24 HG2 LYS 24 2.165 12.388 -0.169 197 HG3 LYS 24 HG1 LYS 24 2.839 12.178 1.449 198 HD2 LYS 24 HD2 LYS 24 1.232 13.421 2.396 199 HD3 LYS 24 HD1 LYS 24 1.328 14.657 1.140 200 HE2 LYS 24 HE2 LYS 24 -0.454 13.839 0.075 201 HE3 LYS 24 HE1 LYS 24 0.168 12.191 0.149 202 HZ1 LYS 24 HZ1 LYS 24 -1.792 13.478 1.802 203 HZ2 LYS 24 HZ2 LYS 24 -0.598 12.690 2.704 204 HZ3 LYS 24 HZ3 LYS 24 -1.499 11.829 1.559 205 H LYS 25 HN LYS 25 6.120 14.440 2.196 206 HA LYS 25 HA LYS 25 6.858 12.112 3.704 207 HB2 LYS 25 HB2 LYS 25 7.753 14.744 3.555 208 HB3 LYS 25 HB1 LYS 25 7.041 14.626 5.158 209 HG2 LYS 25 HG2 LYS 25 8.482 12.360 5.133 210 HG3 LYS 25 HG1 LYS 25 9.464 13.361 4.062 211 HD2 LYS 25 HD2 LYS 25 8.497 14.442 6.680 212 HD3 LYS 25 HD1 LYS 25 9.919 13.400 6.617 213 HE2 LYS 25 HE2 LYS 25 9.950 15.517 4.611 214 HE3 LYS 25 HE1 LYS 25 9.898 16.128 6.264 215 HZ1 LYS 25 HZ1 LYS 25 11.915 15.189 6.770 216 HZ2 LYS 25 HZ2 LYS 25 12.162 15.610 5.151 217 HZ3 LYS 25 HZ3 LYS 25 11.812 14.008 5.563 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 -14.963 -6.368 -1.110 2 H2 LYS 1 HT2 LYS 1 -14.862 -6.763 0.557 3 H3 LYS 1 HT3 LYS 1 -15.117 -7.999 -0.606 4 HA LYS 1 HA LYS 1 -12.741 -6.287 -0.650 5 HB2 LYS 1 HB2 LYS 1 -11.596 -8.027 0.647 6 HB3 LYS 1 HB1 LYS 1 -12.905 -7.304 1.573 7 HG2 LYS 1 HG2 LYS 1 -13.367 -9.456 2.040 8 HG3 LYS 1 HG1 LYS 1 -14.222 -9.374 0.498 9 HD2 LYS 1 HD2 LYS 1 -11.964 -10.088 -0.532 10 HD3 LYS 1 HD1 LYS 1 -11.543 -10.574 1.112 11 HE2 LYS 1 HE2 LYS 1 -12.422 -12.482 -0.049 12 HE3 LYS 1 HE1 LYS 1 -13.594 -11.973 1.165 13 HZ1 LYS 1 HZ1 LYS 1 -14.209 -10.617 -1.183 14 HZ2 LYS 1 HZ2 LYS 1 -15.095 -11.850 -0.439 15 HZ3 LYS 1 HZ3 LYS 1 -13.943 -12.230 -1.618 16 H LYS 2 HN LYS 2 -10.911 -7.688 -1.536 17 HA LYS 2 HA LYS 2 -11.653 -9.882 -3.249 18 HB2 LYS 2 HB2 LYS 2 -11.718 -7.176 -4.289 19 HB3 LYS 2 HB1 LYS 2 -10.397 -8.049 -5.063 20 HG2 LYS 2 HG2 LYS 2 -11.848 -9.020 -6.418 21 HG3 LYS 2 HG1 LYS 2 -12.637 -9.778 -5.035 22 HD2 LYS 2 HD2 LYS 2 -14.431 -8.495 -5.321 23 HD3 LYS 2 HD1 LYS 2 -13.444 -7.040 -5.175 24 HE2 LYS 2 HE2 LYS 2 -13.092 -6.906 -7.482 25 HE3 LYS 2 HE1 LYS 2 -13.566 -8.584 -7.742 26 HZ1 LYS 2 HZ1 LYS 2 -15.719 -8.038 -7.857 27 HZ2 LYS 2 HZ2 LYS 2 -15.163 -6.469 -8.157 28 HZ3 LYS 2 HZ3 LYS 2 -15.626 -6.916 -6.593 29 H SER 3 HN SER 3 -9.497 -9.820 -4.993 30 HA SER 3 HA SER 3 -7.373 -10.622 -3.256 31 HB2 SER 3 HB2 SER 3 -7.887 -10.636 -6.181 32 HB3 SER 3 HB1 SER 3 -6.196 -10.633 -5.681 33 HG SER 3 HG SER 3 -7.269 -12.750 -5.925 34 H HIS 4 HN HIS 4 -8.153 -7.763 -5.075 35 HA HIS 4 HA HIS 4 -5.514 -6.604 -4.853 36 HB2 HIS 4 HB2 HIS 4 -7.968 -6.042 -6.285 37 HB3 HIS 4 HB1 HIS 4 -7.332 -4.583 -5.532 38 HD1 HIS 4 HD1 HIS 4 -6.007 -7.420 -7.701 39 HD2 HIS 4 HD2 HIS 4 -5.464 -3.352 -7.049 40 HE1 HIS 4 HE1 HIS 4 -4.308 -6.687 -9.404 41 HE2 HIS 4 HE2 HIS 4 -4.049 -4.207 -9.038 42 H THR 5 HN THR 5 -8.270 -6.812 -2.845 43 HA THR 5 HA THR 5 -7.609 -4.359 -1.396 44 HB THR 5 HB THR 5 -9.701 -4.453 -0.420 45 HG1 THR 5 HG1 THR 5 -10.700 -6.274 0.201 46 HG21 THR 5 HG21 THR 5 -9.944 -5.856 -3.047 47 HG22 THR 5 HG22 THR 5 -10.465 -4.235 -2.583 48 HG23 THR 5 HG23 THR 5 -11.357 -5.645 -2.015 49 H ALA 6 HN ALA 6 -8.114 -7.810 -0.639 50 HA ALA 6 HA ALA 6 -7.137 -7.735 1.973 51 HB1 ALA 6 HB1 ALA 6 -6.598 -10.179 0.395 52 HB2 ALA 6 HB2 ALA 6 -8.276 -9.645 0.488 53 HB3 ALA 6 HB3 ALA 6 -7.378 -9.990 1.966 54 H SER 7 HN SER 7 -5.421 -8.918 -0.915 55 HA SER 7 HA SER 7 -2.855 -8.987 0.326 56 HB2 SER 7 HB2 SER 7 -3.392 -10.373 -1.625 57 HB3 SER 7 HB1 SER 7 -3.603 -8.926 -2.611 58 HG SER 7 HG SER 7 -1.547 -9.569 -2.983 59 H TYR 8 HN TYR 8 -4.639 -6.260 -0.357 60 HA TYR 8 HA TYR 8 -2.503 -4.785 -1.524 61 HB2 TYR 8 HB2 TYR 8 -3.985 -3.196 -1.855 62 HB3 TYR 8 HB1 TYR 8 -5.208 -4.166 -1.024 63 HD1 TYR 8 HD1 TYR 8 -4.056 -3.900 1.827 64 HD2 TYR 8 HD2 TYR 8 -4.630 -1.070 -1.327 65 HE1 TYR 8 HE1 TYR 8 -4.127 -2.038 3.459 66 HE2 TYR 8 HE2 TYR 8 -4.726 0.755 0.309 67 HH TYR 8 HH TYR 8 -5.305 0.422 3.409 68 H LEU 9 HN LEU 9 -3.533 -5.554 1.733 69 HA LEU 9 HA LEU 9 -1.764 -3.636 2.852 70 HB2 LEU 9 HB2 LEU 9 -3.578 -5.652 3.904 71 HB3 LEU 9 HB1 LEU 9 -2.095 -5.522 4.829 72 HG LEU 9 HG LEU 9 -3.012 -2.875 4.339 73 HD11 LEU 9 HD11 LEU 9 -5.138 -4.550 5.668 74 HD12 LEU 9 HD12 LEU 9 -5.213 -4.087 3.967 75 HD13 LEU 9 HD13 LEU 9 -5.205 -2.845 5.220 76 HD21 LEU 9 HD21 LEU 9 -2.925 -2.697 6.696 77 HD22 LEU 9 HD22 LEU 9 -1.660 -3.843 6.252 78 HD23 LEU 9 HD23 LEU 9 -3.185 -4.427 6.918 79 H ARG 10 HN ARG 10 -1.446 -6.308 1.124 80 HA ARG 10 HA ARG 10 0.967 -7.360 2.251 81 HB2 ARG 10 HB2 ARG 10 -0.700 -8.248 -0.088 82 HB3 ARG 10 HB1 ARG 10 0.689 -9.105 0.549 83 HG2 ARG 10 HG2 ARG 10 -1.476 -10.057 1.272 84 HG3 ARG 10 HG1 ARG 10 -0.440 -9.567 2.605 85 HD2 ARG 10 HD2 ARG 10 -2.512 -7.601 1.643 86 HD3 ARG 10 HD1 ARG 10 -3.033 -9.005 2.570 87 HE ARG 10 HE ARG 10 -1.727 -6.711 3.553 88 HH11 ARG 10 HH11 ARG 10 -1.977 -10.166 3.996 89 HH12 ARG 10 HH12 ARG 10 -1.504 -10.123 5.661 90 HH21 ARG 10 HH21 ARG 10 -1.080 -6.660 5.769 91 HH22 ARG 10 HH22 ARG 10 -0.999 -8.138 6.664 92 H LEU 11 HN LEU 11 -0.261 -5.485 -0.386 93 HA LEU 11 HA LEU 11 2.328 -5.283 -1.767 94 HB2 LEU 11 HB2 LEU 11 1.067 -5.037 -3.617 95 HB3 LEU 11 HB1 LEU 11 -0.323 -5.414 -2.629 96 HG LEU 11 HG LEU 11 0.260 -2.540 -2.499 97 HD11 LEU 11 HD11 LEU 11 1.192 -2.764 -4.689 98 HD12 LEU 11 HD12 LEU 11 -0.438 -2.108 -4.850 99 HD13 LEU 11 HD13 LEU 11 -0.131 -3.808 -5.208 100 HD21 LEU 11 HD21 LEU 11 -1.840 -3.235 -1.823 101 HD22 LEU 11 HD22 LEU 11 -2.032 -4.341 -3.186 102 HD23 LEU 11 HD23 LEU 11 -2.130 -2.599 -3.445 103 H TRP 12 HN TRP 12 -0.294 -3.238 -0.891 104 HA TRP 12 HA TRP 12 0.755 -0.790 -1.034 105 HB2 TRP 12 HB2 TRP 12 -1.393 -0.510 -0.713 106 HB3 TRP 12 HB1 TRP 12 -1.555 -2.064 0.067 107 HD1 TRP 12 HD1 TRP 12 -2.044 1.365 0.596 108 HE1 TRP 12 HE1 TRP 12 -2.393 1.946 3.102 109 HE3 TRP 12 HE3 TRP 12 -0.260 -2.900 2.570 110 HZ2 TRP 12 HZ2 TRP 12 -1.960 0.653 5.596 111 HZ3 TRP 12 HZ3 TRP 12 -0.259 -3.223 4.999 112 HH2 TRP 12 HH2 TRP 12 -1.077 -1.459 6.497 113 H ALA 13 HN ALA 13 1.408 -3.179 1.379 114 HA ALA 13 HA ALA 13 2.287 -1.402 3.434 115 HB1 ALA 13 HB1 ALA 13 2.698 -4.345 2.974 116 HB2 ALA 13 HB2 ALA 13 1.610 -3.568 4.123 117 HB3 ALA 13 HB3 ALA 13 3.355 -3.488 4.368 118 H LEU 14 HN LEU 14 4.127 -3.660 1.374 119 HA LEU 14 HA LEU 14 6.651 -2.603 1.955 120 HB2 LEU 14 HB2 LEU 14 5.507 -4.283 -0.214 121 HB3 LEU 14 HB1 LEU 14 7.074 -3.553 -0.508 122 HG LEU 14 HG LEU 14 7.351 -5.804 0.339 123 HD11 LEU 14 HD11 LEU 14 8.288 -4.750 2.773 124 HD12 LEU 14 HD12 LEU 14 8.429 -3.462 1.578 125 HD13 LEU 14 HD13 LEU 14 9.195 -5.023 1.286 126 HD21 LEU 14 HD21 LEU 14 5.379 -6.235 1.537 127 HD22 LEU 14 HD22 LEU 14 5.602 -4.828 2.578 128 HD23 LEU 14 HD23 LEU 14 6.658 -6.230 2.752 129 H SER 15 HN SER 15 4.129 -1.428 -0.082 130 HA SER 15 HA SER 15 5.920 0.390 -1.480 131 HB2 SER 15 HB2 SER 15 2.948 -0.078 -1.797 132 HB3 SER 15 HB1 SER 15 3.912 1.011 -2.794 133 HG SER 15 HG SER 15 3.823 -0.895 -3.888 134 H LEU 16 HN LEU 16 4.061 0.365 1.333 135 HA LEU 16 HA LEU 16 3.129 3.044 1.344 136 HB2 LEU 16 HB2 LEU 16 2.307 1.199 2.832 137 HB3 LEU 16 HB1 LEU 16 3.803 1.332 3.734 138 HG LEU 16 HG LEU 16 3.141 3.799 4.084 139 HD11 LEU 16 HD11 LEU 16 1.150 3.240 2.352 140 HD12 LEU 16 HD12 LEU 16 1.080 4.527 3.555 141 HD13 LEU 16 HD13 LEU 16 0.327 2.968 3.888 142 HD21 LEU 16 HD21 LEU 16 2.804 1.534 5.576 143 HD22 LEU 16 HD22 LEU 16 1.177 2.214 5.558 144 HD23 LEU 16 HD23 LEU 16 2.529 3.181 6.145 145 H ALA 17 HN ALA 17 6.240 1.771 1.533 146 HA ALA 17 HA ALA 17 7.256 4.000 3.152 147 HB1 ALA 17 HB1 ALA 17 8.156 1.670 3.576 148 HB2 ALA 17 HB2 ALA 17 9.354 2.934 3.327 149 HB3 ALA 17 HB3 ALA 17 8.998 1.806 2.024 150 H HIS 18 HN HIS 18 8.280 2.512 0.067 151 HA HIS 18 HA HIS 18 9.874 4.584 -0.798 152 HB2 HIS 18 HB2 HIS 18 9.645 3.725 -3.029 153 HB3 HIS 18 HB1 HIS 18 9.648 2.365 -1.913 154 HD1 HIS 18 HD1 HIS 18 8.180 0.664 -2.921 155 HD2 HIS 18 HD2 HIS 18 6.531 4.463 -3.199 156 HE1 HIS 18 HE1 HIS 18 5.925 0.342 -3.986 157 HE2 HIS 18 HE2 HIS 18 4.901 2.642 -4.037 158 H ALA 19 HN ALA 19 6.416 4.476 -0.645 159 HA ALA 19 HA ALA 19 5.892 6.557 -2.511 160 HB1 ALA 19 HB1 ALA 19 4.148 5.722 -0.202 161 HB2 ALA 19 HB2 ALA 19 4.233 4.850 -1.733 162 HB3 ALA 19 HB3 ALA 19 3.652 6.515 -1.697 163 H GLN 20 HN GLN 20 6.411 6.461 0.979 164 HA GLN 20 HA GLN 20 5.883 9.266 1.319 165 HB2 GLN 20 HB2 GLN 20 6.442 6.972 3.028 166 HB3 GLN 20 HB1 GLN 20 7.267 8.428 3.569 167 HG2 GLN 20 HG2 GLN 20 5.268 9.589 3.878 168 HG3 GLN 20 HG1 GLN 20 4.350 8.446 2.901 169 HE21 GLN 20 HE21 GLN 20 4.507 6.123 3.803 170 HE22 GLN 20 HE22 GLN 20 4.230 5.972 5.501 171 H LEU 21 HN LEU 21 8.636 7.327 0.543 172 HA LEU 21 HA LEU 21 10.496 9.476 1.204 173 HB2 LEU 21 HB2 LEU 21 11.172 6.827 -0.054 174 HB3 LEU 21 HB1 LEU 21 12.247 7.921 0.795 175 HG LEU 21 HG LEU 21 9.980 6.860 2.370 176 HD11 LEU 21 HD11 LEU 21 10.449 4.816 1.340 177 HD12 LEU 21 HD12 LEU 21 11.397 4.782 2.826 178 HD13 LEU 21 HD13 LEU 21 12.182 5.136 1.287 179 HD21 LEU 21 HD21 LEU 21 12.204 6.491 3.830 180 HD22 LEU 21 HD22 LEU 21 11.330 8.021 3.759 181 HD23 LEU 21 HD23 LEU 21 12.759 7.775 2.755 182 H SER 22 HN SER 22 8.452 9.441 -1.084 183 HA SER 22 HA SER 22 10.189 10.678 -3.011 184 HB2 SER 22 HB2 SER 22 8.533 8.368 -4.013 185 HB3 SER 22 HB1 SER 22 9.810 9.245 -4.855 186 HG SER 22 HG SER 22 11.314 8.311 -3.465 187 H SER 23 HN SER 23 7.843 11.314 -1.306 188 HA SER 23 HA SER 23 6.122 12.375 -3.445 189 HB2 SER 23 HB2 SER 23 5.304 10.876 -0.977 190 HB3 SER 23 HB1 SER 23 4.232 12.103 -1.650 191 HG SER 23 HG SER 23 5.262 9.833 -3.007 192 H LYS 24 HN LYS 24 5.828 12.698 0.071 193 HA LYS 24 HA LYS 24 7.099 15.225 0.236 194 HB2 LYS 24 HB2 LYS 24 4.310 15.185 -0.592 195 HB3 LYS 24 HB1 LYS 24 4.543 16.104 0.889 196 HG2 LYS 24 HG2 LYS 24 6.414 17.311 -0.339 197 HG3 LYS 24 HG1 LYS 24 5.771 16.573 -1.807 198 HD2 LYS 24 HD2 LYS 24 3.502 17.550 -0.959 199 HD3 LYS 24 HD1 LYS 24 4.538 18.619 -0.012 200 HE2 LYS 24 HE2 LYS 24 4.349 19.881 -1.898 201 HE3 LYS 24 HE1 LYS 24 5.745 18.906 -2.354 202 HZ1 LYS 24 HZ1 LYS 24 4.570 17.782 -3.895 203 HZ2 LYS 24 HZ2 LYS 24 3.598 19.166 -3.880 204 HZ3 LYS 24 HZ3 LYS 24 3.135 17.798 -3.000 205 H LYS 25 HN LYS 25 4.181 13.741 1.655 206 HA LYS 25 HA LYS 25 5.523 13.046 4.078 207 HB2 LYS 25 HB2 LYS 25 4.982 15.646 4.082 208 HB3 LYS 25 HB1 LYS 25 3.388 15.074 4.553 209 HG2 LYS 25 HG2 LYS 25 4.513 15.523 6.558 210 HG3 LYS 25 HG1 LYS 25 4.552 13.768 6.385 211 HD2 LYS 25 HD2 LYS 25 6.782 13.745 6.351 212 HD3 LYS 25 HD1 LYS 25 6.838 15.001 5.113 213 HE2 LYS 25 HE2 LYS 25 7.867 16.122 6.805 214 HE3 LYS 25 HE1 LYS 25 6.194 16.535 7.177 215 HZ1 LYS 25 HZ1 LYS 25 7.564 15.751 9.100 216 HZ2 LYS 25 HZ2 LYS 25 7.592 14.218 8.386 217 HZ3 LYS 25 HZ3 LYS 25 6.120 14.901 8.863 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 -13.942 -6.706 -5.552 2 H2 LYS 1 HT2 LYS 1 -14.561 -7.243 -4.044 3 H3 LYS 1 HT3 LYS 1 -14.464 -8.329 -5.369 4 HA LYS 1 HA LYS 1 -12.156 -8.351 -5.317 5 HB2 LYS 1 HB2 LYS 1 -12.593 -5.811 -4.031 6 HB3 LYS 1 HB1 LYS 1 -11.515 -6.791 -3.047 7 HG2 LYS 1 HG2 LYS 1 -10.136 -5.536 -4.479 8 HG3 LYS 1 HG1 LYS 1 -10.153 -7.174 -5.136 9 HD2 LYS 1 HD2 LYS 1 -10.415 -5.749 -6.995 10 HD3 LYS 1 HD1 LYS 1 -12.029 -6.380 -6.658 11 HE2 LYS 1 HE2 LYS 1 -12.488 -4.148 -6.932 12 HE3 LYS 1 HE1 LYS 1 -12.232 -4.222 -5.189 13 HZ1 LYS 1 HZ1 LYS 1 -10.209 -3.395 -7.201 14 HZ2 LYS 1 HZ2 LYS 1 -9.958 -3.472 -5.531 15 HZ3 LYS 1 HZ3 LYS 1 -11.059 -2.358 -6.169 16 H LYS 2 HN LYS 2 -10.965 -9.696 -3.917 17 HA LYS 2 HA LYS 2 -12.097 -10.359 -1.319 18 HB2 LYS 2 HB2 LYS 2 -12.619 -11.958 -3.678 19 HB3 LYS 2 HB1 LYS 2 -11.601 -12.888 -2.578 20 HG2 LYS 2 HG2 LYS 2 -13.805 -11.535 -1.228 21 HG3 LYS 2 HG1 LYS 2 -14.335 -12.677 -2.464 22 HD2 LYS 2 HD2 LYS 2 -14.137 -14.159 -0.765 23 HD3 LYS 2 HD1 LYS 2 -12.443 -14.157 -1.258 24 HE2 LYS 2 HE2 LYS 2 -13.095 -12.011 0.604 25 HE3 LYS 2 HE1 LYS 2 -13.399 -13.616 1.268 26 HZ1 LYS 2 HZ1 LYS 2 -11.123 -14.230 0.674 27 HZ2 LYS 2 HZ2 LYS 2 -11.153 -12.917 1.740 28 HZ3 LYS 2 HZ3 LYS 2 -10.841 -12.665 0.097 29 H SER 3 HN SER 3 -9.843 -11.897 -3.637 30 HA SER 3 HA SER 3 -7.891 -12.275 -1.543 31 HB2 SER 3 HB2 SER 3 -8.358 -13.891 -3.480 32 HB3 SER 3 HB1 SER 3 -7.443 -12.768 -4.486 33 HG SER 3 HG SER 3 -5.843 -13.974 -3.783 34 H HIS 4 HN HIS 4 -8.127 -10.391 -4.542 35 HA HIS 4 HA HIS 4 -5.618 -9.199 -4.518 36 HB2 HIS 4 HB2 HIS 4 -8.268 -8.504 -5.678 37 HB3 HIS 4 HB1 HIS 4 -7.053 -7.231 -5.624 38 HD1 HIS 4 HD1 HIS 4 -8.011 -10.290 -7.438 39 HD2 HIS 4 HD2 HIS 4 -4.702 -7.791 -7.172 40 HE1 HIS 4 HE1 HIS 4 -6.568 -10.873 -9.413 41 HE2 HIS 4 HE2 HIS 4 -4.523 -9.421 -9.172 42 H THR 5 HN THR 5 -8.472 -8.457 -2.647 43 HA THR 5 HA THR 5 -7.473 -5.921 -1.717 44 HB THR 5 HB THR 5 -9.854 -6.170 -1.903 45 HG1 THR 5 HG1 THR 5 -9.239 -6.285 0.858 46 HG21 THR 5 HG21 THR 5 -11.061 -7.723 -0.319 47 HG22 THR 5 HG22 THR 5 -9.520 -8.558 -0.121 48 HG23 THR 5 HG23 THR 5 -10.277 -8.469 -1.711 49 H ALA 6 HN ALA 6 -7.653 -9.218 -0.518 50 HA ALA 6 HA ALA 6 -6.976 -8.817 2.146 51 HB1 ALA 6 HB1 ALA 6 -7.690 -10.971 1.472 52 HB2 ALA 6 HB2 ALA 6 -6.018 -11.150 2.007 53 HB3 ALA 6 HB3 ALA 6 -6.393 -11.107 0.285 54 H SER 7 HN SER 7 -4.648 -10.135 -0.182 55 HA SER 7 HA SER 7 -2.356 -9.356 1.293 56 HB2 SER 7 HB2 SER 7 -2.845 -10.394 -1.479 57 HB3 SER 7 HB1 SER 7 -1.248 -9.781 -1.049 58 HG SER 7 HG SER 7 -1.326 -11.975 -0.607 59 H TYR 8 HN TYR 8 -4.444 -7.265 -0.254 60 HA TYR 8 HA TYR 8 -2.426 -5.688 -1.486 61 HB2 TYR 8 HB2 TYR 8 -4.084 -4.570 -2.388 62 HB3 TYR 8 HB1 TYR 8 -5.245 -5.530 -1.463 63 HD1 TYR 8 HD1 TYR 8 -5.112 -2.544 -2.519 64 HD2 TYR 8 HD2 TYR 8 -4.638 -4.372 1.318 65 HE1 TYR 8 HE1 TYR 8 -5.757 -0.433 -1.450 66 HE2 TYR 8 HE2 TYR 8 -5.272 -2.222 2.378 67 HH TYR 8 HH TYR 8 -6.500 -0.206 1.875 68 H LEU 9 HN LEU 9 -3.835 -5.868 1.723 69 HA LEU 9 HA LEU 9 -2.591 -3.440 2.501 70 HB2 LEU 9 HB2 LEU 9 -4.191 -5.475 3.831 71 HB3 LEU 9 HB1 LEU 9 -2.917 -4.827 4.848 72 HG LEU 9 HG LEU 9 -4.173 -2.620 3.566 73 HD11 LEU 9 HD11 LEU 9 -6.462 -2.845 4.362 74 HD12 LEU 9 HD12 LEU 9 -6.128 -4.480 4.933 75 HD13 LEU 9 HD13 LEU 9 -6.087 -4.123 3.206 76 HD21 LEU 9 HD21 LEU 9 -3.009 -2.942 5.863 77 HD22 LEU 9 HD22 LEU 9 -4.611 -3.417 6.427 78 HD23 LEU 9 HD23 LEU 9 -4.358 -1.814 5.737 79 H ARG 10 HN ARG 10 -1.589 -6.325 1.564 80 HA ARG 10 HA ARG 10 0.769 -6.602 3.168 81 HB2 ARG 10 HB2 ARG 10 -0.368 -8.330 0.987 82 HB3 ARG 10 HB1 ARG 10 1.020 -8.726 1.978 83 HG2 ARG 10 HG2 ARG 10 -1.050 -9.871 2.685 84 HG3 ARG 10 HG1 ARG 10 -0.332 -8.878 3.945 85 HD2 ARG 10 HD2 ARG 10 -2.507 -7.641 2.269 86 HD3 ARG 10 HD1 ARG 10 -2.944 -8.864 3.459 87 HE ARG 10 HE ARG 10 -2.213 -6.200 3.970 88 HH11 ARG 10 HH11 ARG 10 -1.911 -9.438 5.237 89 HH12 ARG 10 HH12 ARG 10 -1.666 -8.923 6.872 90 HH21 ARG 10 HH21 ARG 10 -1.873 -5.515 6.150 91 HH22 ARG 10 HH22 ARG 10 -1.650 -6.701 7.389 92 H LEU 11 HN LEU 11 -0.344 -5.600 0.054 93 HA LEU 11 HA LEU 11 2.368 -5.263 -1.052 94 HB2 LEU 11 HB2 LEU 11 1.406 -5.702 -3.041 95 HB3 LEU 11 HB1 LEU 11 -0.041 -6.125 -2.159 96 HG LEU 11 HG LEU 11 0.023 -3.237 -2.705 97 HD11 LEU 11 HD11 LEU 11 0.133 -5.122 -5.060 98 HD12 LEU 11 HD12 LEU 11 1.341 -3.907 -4.644 99 HD13 LEU 11 HD13 LEU 11 -0.284 -3.410 -5.115 100 HD21 LEU 11 HD21 LEU 11 -2.007 -4.194 -2.085 101 HD22 LEU 11 HD22 LEU 11 -1.814 -5.560 -3.189 102 HD23 LEU 11 HD23 LEU 11 -2.156 -3.951 -3.828 103 H TRP 12 HN TRP 12 -0.660 -3.633 -1.046 104 HA TRP 12 HA TRP 12 0.004 -1.126 -1.694 105 HB2 TRP 12 HB2 TRP 12 -2.187 -1.198 -1.737 106 HB3 TRP 12 HB1 TRP 12 -2.239 -2.535 -0.613 107 HD1 TRP 12 HD1 TRP 12 -3.341 0.760 -1.031 108 HE1 TRP 12 HE1 TRP 12 -4.164 1.831 1.184 109 HE3 TRP 12 HE3 TRP 12 -1.231 -2.503 2.149 110 HZ2 TRP 12 HZ2 TRP 12 -3.919 1.260 3.962 111 HZ3 TRP 12 HZ3 TRP 12 -1.551 -2.248 4.566 112 HH2 TRP 12 HH2 TRP 12 -2.858 -0.375 5.463 113 H ALA 13 HN ALA 13 0.645 -2.739 1.279 114 HA ALA 13 HA ALA 13 0.860 -0.391 2.914 115 HB1 ALA 13 HB1 ALA 13 2.170 -2.152 4.374 116 HB2 ALA 13 HB2 ALA 13 1.405 -3.292 3.266 117 HB3 ALA 13 HB3 ALA 13 0.412 -2.205 4.238 118 H LEU 14 HN LEU 14 3.235 -2.723 1.658 119 HA LEU 14 HA LEU 14 5.507 -1.234 2.368 120 HB2 LEU 14 HB2 LEU 14 5.068 -3.711 1.329 121 HB3 LEU 14 HB1 LEU 14 5.705 -2.874 -0.074 122 HG LEU 14 HG LEU 14 7.472 -4.037 1.140 123 HD11 LEU 14 HD11 LEU 14 7.625 -1.585 0.101 124 HD12 LEU 14 HD12 LEU 14 9.004 -2.399 0.841 125 HD13 LEU 14 HD13 LEU 14 8.081 -1.212 1.763 126 HD21 LEU 14 HD21 LEU 14 7.535 -2.247 3.436 127 HD22 LEU 14 HD22 LEU 14 7.714 -3.999 3.359 128 HD23 LEU 14 HD23 LEU 14 6.105 -3.279 3.406 129 H SER 15 HN SER 15 3.280 -0.944 -0.262 130 HA SER 15 HA SER 15 5.059 0.823 -1.757 131 HB2 SER 15 HB2 SER 15 2.240 0.008 -2.481 132 HB3 SER 15 HB1 SER 15 3.470 0.692 -3.544 133 HG SER 15 HG SER 15 3.071 -1.718 -3.504 134 H LEU 16 HN LEU 16 2.723 1.065 0.667 135 HA LEU 16 HA LEU 16 1.376 3.421 -0.096 136 HB2 LEU 16 HB2 LEU 16 1.230 1.658 2.016 137 HB3 LEU 16 HB1 LEU 16 1.817 3.121 2.781 138 HG LEU 16 HG LEU 16 -0.120 4.346 1.764 139 HD11 LEU 16 HD11 LEU 16 -0.475 2.591 -0.023 140 HD12 LEU 16 HD12 LEU 16 -1.924 3.184 0.789 141 HD13 LEU 16 HD13 LEU 16 -1.250 1.614 1.225 142 HD21 LEU 16 HD21 LEU 16 -0.143 3.603 4.089 143 HD22 LEU 16 HD22 LEU 16 -0.790 2.040 3.588 144 HD23 LEU 16 HD23 LEU 16 -1.751 3.503 3.371 145 H ALA 17 HN ALA 17 4.461 2.843 1.438 146 HA ALA 17 HA ALA 17 4.831 5.730 1.915 147 HB1 ALA 17 HB1 ALA 17 6.865 3.621 2.654 148 HB2 ALA 17 HB2 ALA 17 5.524 4.082 3.715 149 HB3 ALA 17 HB3 ALA 17 6.726 5.275 3.241 150 H HIS 18 HN HIS 18 5.498 3.479 -0.502 151 HA HIS 18 HA HIS 18 8.018 4.289 -1.398 152 HB2 HIS 18 HB2 HIS 18 7.642 2.962 -3.223 153 HB3 HIS 18 HB1 HIS 18 6.397 2.336 -2.152 154 HD1 HIS 18 HD1 HIS 18 4.311 4.652 -2.661 155 HD2 HIS 18 HD2 HIS 18 6.333 2.511 -5.588 156 HE1 HIS 18 HE1 HIS 18 2.896 4.844 -4.729 157 HE2 HIS 18 HE2 HIS 18 4.094 3.467 -6.463 158 H ALA 19 HN ALA 19 5.050 5.997 -1.458 159 HA ALA 19 HA ALA 19 5.998 7.785 -3.580 160 HB1 ALA 19 HB1 ALA 19 3.402 6.907 -2.713 161 HB2 ALA 19 HB2 ALA 19 3.860 7.777 -4.176 162 HB3 ALA 19 HB3 ALA 19 3.493 8.668 -2.699 163 H GLN 20 HN GLN 20 5.182 7.712 -0.163 164 HA GLN 20 HA GLN 20 5.450 10.532 0.229 165 HB2 GLN 20 HB2 GLN 20 5.145 8.150 2.004 166 HB3 GLN 20 HB1 GLN 20 5.704 9.660 2.710 167 HG2 GLN 20 HG2 GLN 20 3.700 10.668 2.491 168 HG3 GLN 20 HG1 GLN 20 3.319 9.832 0.986 169 HE21 GLN 20 HE21 GLN 20 3.069 7.369 1.344 170 HE22 GLN 20 HE22 GLN 20 2.052 6.922 2.667 171 H LEU 21 HN LEU 21 7.660 7.917 -0.008 172 HA LEU 21 HA LEU 21 9.759 9.023 1.567 173 HB2 LEU 21 HB2 LEU 21 9.640 6.876 -0.532 174 HB3 LEU 21 HB1 LEU 21 11.165 7.382 0.170 175 HG LEU 21 HG LEU 21 8.882 6.443 1.886 176 HD11 LEU 21 HD11 LEU 21 9.446 4.719 0.180 177 HD12 LEU 21 HD12 LEU 21 9.760 4.221 1.843 178 HD13 LEU 21 HD13 LEU 21 11.097 4.714 0.802 179 HD21 LEU 21 HD21 LEU 21 11.165 5.726 3.121 180 HD22 LEU 21 HD22 LEU 21 10.356 7.272 3.376 181 HD23 LEU 21 HD23 LEU 21 11.715 7.162 2.257 182 H SER 22 HN SER 22 8.924 9.109 -1.859 183 HA SER 22 HA SER 22 11.268 10.433 -2.724 184 HB2 SER 22 HB2 SER 22 8.734 9.597 -3.883 185 HB3 SER 22 HB1 SER 22 9.256 11.160 -4.512 186 HG SER 22 HG SER 22 10.097 9.370 -5.702 187 H SER 23 HN SER 23 8.376 11.528 -1.179 188 HA SER 23 HA SER 23 9.311 14.306 -1.467 189 HB2 SER 23 HB2 SER 23 7.104 13.589 -2.683 190 HB3 SER 23 HB1 SER 23 6.405 13.680 -1.066 191 HG SER 23 HG SER 23 7.263 15.694 -2.741 192 H LYS 24 HN LYS 24 9.786 12.238 0.622 193 HA LYS 24 HA LYS 24 8.253 12.819 2.919 194 HB2 LYS 24 HB2 LYS 24 10.150 10.965 2.296 195 HB3 LYS 24 HB1 LYS 24 11.059 12.030 3.359 196 HG2 LYS 24 HG2 LYS 24 9.431 11.725 5.117 197 HG3 LYS 24 HG1 LYS 24 8.428 10.741 4.050 198 HD2 LYS 24 HD2 LYS 24 10.602 9.302 3.825 199 HD3 LYS 24 HD1 LYS 24 11.038 10.085 5.345 200 HE2 LYS 24 HE2 LYS 24 9.884 7.886 5.606 201 HE3 LYS 24 HE1 LYS 24 9.093 9.229 6.430 202 HZ1 LYS 24 HZ1 LYS 24 8.205 8.680 3.715 203 HZ2 LYS 24 HZ2 LYS 24 7.309 9.123 5.080 204 HZ3 LYS 24 HZ3 LYS 24 7.802 7.518 4.878 205 H LYS 25 HN LYS 25 8.709 14.118 4.713 206 HA LYS 25 HA LYS 25 9.339 16.027 5.772 207 HB2 LYS 25 HB2 LYS 25 11.790 14.869 4.685 208 HB3 LYS 25 HB1 LYS 25 11.908 16.606 4.931 209 HG2 LYS 25 HG2 LYS 25 12.056 16.380 7.136 210 HG3 LYS 25 HG1 LYS 25 10.685 15.271 7.193 211 HD2 LYS 25 HD2 LYS 25 13.415 14.407 6.274 212 HD3 LYS 25 HD1 LYS 25 12.934 14.366 7.972 213 HE2 LYS 25 HE2 LYS 25 10.911 13.017 7.171 214 HE3 LYS 25 HE1 LYS 25 11.798 12.822 5.660 215 HZ1 LYS 25 HZ1 LYS 25 13.501 11.651 6.742 216 HZ2 LYS 25 HZ2 LYS 25 12.068 11.005 7.365 217 HZ3 LYS 25 HZ3 LYS 25 12.968 12.104 8.283 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 -15.162 -4.999 -1.777 2 H2 LYS 1 HT2 LYS 1 -15.949 -6.154 -2.773 3 H3 LYS 1 HT3 LYS 1 -14.326 -5.702 -3.098 4 HA LYS 1 HA LYS 1 -13.791 -6.549 -0.830 5 HB2 LYS 1 HB2 LYS 1 -16.562 -7.671 -1.267 6 HB3 LYS 1 HB1 LYS 1 -15.430 -8.320 -0.089 7 HG2 LYS 1 HG2 LYS 1 -15.386 -6.157 1.055 8 HG3 LYS 1 HG1 LYS 1 -16.538 -5.520 -0.121 9 HD2 LYS 1 HD2 LYS 1 -17.050 -7.875 1.694 10 HD3 LYS 1 HD1 LYS 1 -17.598 -6.226 2.004 11 HE2 LYS 1 HE2 LYS 1 -18.520 -6.608 -0.514 12 HE3 LYS 1 HE1 LYS 1 -18.626 -8.247 0.128 13 HZ1 LYS 1 HZ1 LYS 1 -19.668 -6.036 1.749 14 HZ2 LYS 1 HZ2 LYS 1 -20.186 -7.643 1.662 15 HZ3 LYS 1 HZ3 LYS 1 -20.581 -6.561 0.424 16 H LYS 2 HN LYS 2 -12.128 -7.536 -1.820 17 HA LYS 2 HA LYS 2 -12.584 -10.158 -2.966 18 HB2 LYS 2 HB2 LYS 2 -12.258 -7.867 -4.679 19 HB3 LYS 2 HB1 LYS 2 -10.786 -8.830 -4.796 20 HG2 LYS 2 HG2 LYS 2 -13.107 -10.531 -4.909 21 HG3 LYS 2 HG1 LYS 2 -13.215 -9.248 -6.115 22 HD2 LYS 2 HD2 LYS 2 -11.635 -10.189 -7.379 23 HD3 LYS 2 HD1 LYS 2 -10.552 -10.386 -6.000 24 HE2 LYS 2 HE2 LYS 2 -10.903 -12.575 -6.602 25 HE3 LYS 2 HE1 LYS 2 -12.166 -12.351 -5.392 26 HZ1 LYS 2 HZ1 LYS 2 -13.755 -11.963 -7.162 27 HZ2 LYS 2 HZ2 LYS 2 -13.000 -13.462 -7.375 28 HZ3 LYS 2 HZ3 LYS 2 -12.546 -12.144 -8.332 29 H SER 3 HN SER 3 -10.079 -10.596 -4.048 30 HA SER 3 HA SER 3 -8.490 -10.805 -1.657 31 HB2 SER 3 HB2 SER 3 -6.835 -11.846 -3.397 32 HB3 SER 3 HB1 SER 3 -8.309 -12.717 -2.975 33 HG SER 3 HG SER 3 -7.775 -11.185 -5.291 34 H HIS 4 HN HIS 4 -8.595 -8.766 -4.462 35 HA HIS 4 HA HIS 4 -5.989 -7.793 -4.551 36 HB2 HIS 4 HB2 HIS 4 -8.507 -7.150 -5.720 37 HB3 HIS 4 HB1 HIS 4 -7.788 -5.654 -5.134 38 HD1 HIS 4 HD1 HIS 4 -7.356 -4.832 -7.542 39 HD2 HIS 4 HD2 HIS 4 -5.425 -8.387 -6.592 40 HE1 HIS 4 HE1 HIS 4 -5.682 -5.199 -9.381 41 HE2 HIS 4 HE2 HIS 4 -4.463 -7.308 -8.738 42 H THR 5 HN THR 5 -8.437 -7.243 -2.180 43 HA THR 5 HA THR 5 -7.124 -4.834 -1.193 44 HB THR 5 HB THR 5 -9.489 -4.660 -1.162 45 HG1 THR 5 HG1 THR 5 -9.539 -3.925 0.794 46 HG21 THR 5 HG21 THR 5 -10.374 -6.789 -1.331 47 HG22 THR 5 HG22 THR 5 -10.818 -6.295 0.303 48 HG23 THR 5 HG23 THR 5 -9.458 -7.389 0.050 49 H ALA 6 HN ALA 6 -7.674 -8.190 -0.292 50 HA ALA 6 HA ALA 6 -6.719 -8.108 2.334 51 HB1 ALA 6 HB1 ALA 6 -5.954 -10.579 1.135 52 HB2 ALA 6 HB2 ALA 6 -7.521 -10.097 0.488 53 HB3 ALA 6 HB3 ALA 6 -7.297 -10.250 2.230 54 H SER 7 HN SER 7 -4.910 -9.531 -0.367 55 HA SER 7 HA SER 7 -2.369 -9.277 0.887 56 HB2 SER 7 HB2 SER 7 -3.291 -9.930 -1.904 57 HB3 SER 7 HB1 SER 7 -1.577 -9.716 -1.545 58 HG SER 7 HG SER 7 -1.615 -11.458 -0.243 59 H TYR 8 HN TYR 8 -4.232 -6.749 -0.226 60 HA TYR 8 HA TYR 8 -2.099 -5.407 -1.571 61 HB2 TYR 8 HB2 TYR 8 -3.616 -3.955 -2.220 62 HB3 TYR 8 HB1 TYR 8 -4.842 -4.825 -1.290 63 HD1 TYR 8 HD1 TYR 8 -4.397 -1.802 -2.074 64 HD2 TYR 8 HD2 TYR 8 -3.807 -4.044 1.516 65 HE1 TYR 8 HE1 TYR 8 -4.644 0.256 -0.764 66 HE2 TYR 8 HE2 TYR 8 -4.032 -1.953 2.820 67 HH TYR 8 HH TYR 8 -4.081 0.320 2.700 68 H LEU 9 HN LEU 9 -3.230 -5.676 1.731 69 HA LEU 9 HA LEU 9 -1.588 -3.523 2.576 70 HB2 LEU 9 HB2 LEU 9 -3.342 -5.438 3.890 71 HB3 LEU 9 HB1 LEU 9 -1.904 -5.072 4.824 72 HG LEU 9 HG LEU 9 -2.920 -2.597 3.881 73 HD11 LEU 9 HD11 LEU 9 -5.155 -2.543 4.388 74 HD12 LEU 9 HD12 LEU 9 -5.061 -3.925 5.479 75 HD13 LEU 9 HD13 LEU 9 -5.028 -4.176 3.734 76 HD21 LEU 9 HD21 LEU 9 -3.021 -2.064 6.204 77 HD22 LEU 9 HD22 LEU 9 -1.628 -3.120 5.968 78 HD23 LEU 9 HD23 LEU 9 -3.118 -3.766 6.657 79 H ARG 10 HN ARG 10 -1.083 -6.400 1.297 80 HA ARG 10 HA ARG 10 1.322 -7.159 2.650 81 HB2 ARG 10 HB2 ARG 10 -0.208 -8.445 0.409 82 HB3 ARG 10 HB1 ARG 10 1.186 -9.138 1.210 83 HG2 ARG 10 HG2 ARG 10 -0.956 -10.080 1.993 84 HG3 ARG 10 HG1 ARG 10 -0.009 -9.340 3.276 85 HD2 ARG 10 HD2 ARG 10 -2.121 -7.654 1.946 86 HD3 ARG 10 HD1 ARG 10 -2.625 -8.935 3.042 87 HE ARG 10 HE ARG 10 -1.463 -6.456 3.736 88 HH11 ARG 10 HH11 ARG 10 -1.657 -9.810 4.689 89 HH12 ARG 10 HH12 ARG 10 -1.297 -9.497 6.353 90 HH21 ARG 10 HH21 ARG 10 -0.968 -6.046 5.951 91 HH22 ARG 10 HH22 ARG 10 -0.913 -7.366 7.068 92 H LEU 11 HN LEU 11 0.110 -5.880 -0.350 93 HA LEU 11 HA LEU 11 2.732 -5.706 -1.644 94 HB2 LEU 11 HB2 LEU 11 1.521 -5.796 -3.540 95 HB3 LEU 11 HB1 LEU 11 0.120 -6.090 -2.541 96 HG LEU 11 HG LEU 11 0.572 -3.203 -2.836 97 HD11 LEU 11 HD11 LEU 11 0.014 -3.086 -5.208 98 HD12 LEU 11 HD12 LEU 11 0.184 -4.836 -5.345 99 HD13 LEU 11 HD13 LEU 11 1.587 -3.842 -4.956 100 HD21 LEU 11 HD21 LEU 11 -1.520 -3.833 -2.116 101 HD22 LEU 11 HD22 LEU 11 -1.615 -5.201 -3.229 102 HD23 LEU 11 HD23 LEU 11 -1.792 -3.556 -3.839 103 H TRP 12 HN TRP 12 0.002 -3.673 -1.140 104 HA TRP 12 HA TRP 12 0.984 -1.228 -1.617 105 HB2 TRP 12 HB2 TRP 12 -1.189 -0.996 -1.448 106 HB3 TRP 12 HB1 TRP 12 -1.341 -2.414 -0.441 107 HD1 TRP 12 HD1 TRP 12 -2.002 1.023 -0.471 108 HE1 TRP 12 HE1 TRP 12 -2.459 1.976 1.901 109 HE3 TRP 12 HE3 TRP 12 -0.097 -2.784 2.203 110 HZ2 TRP 12 HZ2 TRP 12 -2.053 1.114 4.583 111 HZ3 TRP 12 HZ3 TRP 12 -0.166 -2.722 4.654 112 HH2 TRP 12 HH2 TRP 12 -1.110 -0.786 5.830 113 H ALA 13 HN ALA 13 1.786 -3.219 1.046 114 HA ALA 13 HA ALA 13 2.378 -1.129 2.914 115 HB1 ALA 13 HB1 ALA 13 2.622 -4.064 2.845 116 HB2 ALA 13 HB2 ALA 13 2.053 -3.003 4.133 117 HB3 ALA 13 HB3 ALA 13 3.783 -3.215 3.864 118 H LEU 14 HN LEU 14 4.352 -3.287 0.884 119 HA LEU 14 HA LEU 14 6.755 -1.798 1.505 120 HB2 LEU 14 HB2 LEU 14 6.135 -4.376 0.495 121 HB3 LEU 14 HB1 LEU 14 7.117 -3.567 -0.711 122 HG LEU 14 HG LEU 14 8.536 -4.852 0.758 123 HD11 LEU 14 HD11 LEU 14 9.862 -3.122 0.192 124 HD12 LEU 14 HD12 LEU 14 9.702 -2.709 1.899 125 HD13 LEU 14 HD13 LEU 14 8.684 -1.912 0.700 126 HD21 LEU 14 HD21 LEU 14 7.248 -3.266 2.973 127 HD22 LEU 14 HD22 LEU 14 8.693 -4.259 3.169 128 HD23 LEU 14 HD23 LEU 14 7.162 -5.008 2.715 129 H SER 15 HN SER 15 4.267 -1.583 -0.818 130 HA SER 15 HA SER 15 5.950 -0.212 -2.767 131 HB2 SER 15 HB2 SER 15 2.990 -0.570 -3.076 132 HB3 SER 15 HB1 SER 15 4.240 -0.506 -4.318 133 HG SER 15 HG SER 15 3.185 -2.648 -3.394 134 H LEU 16 HN LEU 16 2.990 0.423 -0.894 135 HA LEU 16 HA LEU 16 2.890 3.173 -1.639 136 HB2 LEU 16 HB2 LEU 16 1.008 1.561 -0.791 137 HB3 LEU 16 HB1 LEU 16 1.513 2.123 0.792 138 HG LEU 16 HG LEU 16 1.161 4.494 -0.142 139 HD11 LEU 16 HD11 LEU 16 -0.865 4.154 -1.887 140 HD12 LEU 16 HD12 LEU 16 0.188 2.819 -2.355 141 HD13 LEU 16 HD13 LEU 16 0.804 4.471 -2.362 142 HD21 LEU 16 HD21 LEU 16 -0.410 2.843 1.313 143 HD22 LEU 16 HD22 LEU 16 -1.476 3.194 -0.048 144 HD23 LEU 16 HD23 LEU 16 -0.822 4.513 0.923 145 H ALA 17 HN ALA 17 4.970 1.601 0.400 146 HA ALA 17 HA ALA 17 5.116 3.811 2.330 147 HB1 ALA 17 HB1 ALA 17 6.598 2.547 3.674 148 HB2 ALA 17 HB2 ALA 17 6.910 1.378 2.397 149 HB3 ALA 17 HB3 ALA 17 5.323 1.438 3.181 150 H HIS 18 HN HIS 18 7.115 2.276 -0.155 151 HA HIS 18 HA HIS 18 9.372 3.927 0.215 152 HB2 HIS 18 HB2 HIS 18 10.089 3.158 -1.992 153 HB3 HIS 18 HB1 HIS 18 9.477 1.818 -1.033 154 HD1 HIS 18 HD1 HIS 18 7.759 4.257 -3.423 155 HD2 HIS 18 HD2 HIS 18 8.139 0.189 -2.680 156 HE1 HIS 18 HE1 HIS 18 6.310 3.125 -5.136 157 HE2 HIS 18 HE2 HIS 18 6.599 0.660 -4.703 158 H ALA 19 HN ALA 19 6.306 4.543 -1.192 159 HA ALA 19 HA ALA 19 7.123 6.630 -2.968 160 HB1 ALA 19 HB1 ALA 19 4.533 5.544 -2.005 161 HB2 ALA 19 HB2 ALA 19 5.115 5.793 -3.651 162 HB3 ALA 19 HB3 ALA 19 4.548 7.166 -2.699 163 H GLN 20 HN GLN 20 5.978 6.480 0.357 164 HA GLN 20 HA GLN 20 5.654 9.289 0.673 165 HB2 GLN 20 HB2 GLN 20 5.843 6.980 2.585 166 HB3 GLN 20 HB1 GLN 20 5.789 8.638 3.170 167 HG2 GLN 20 HG2 GLN 20 3.632 8.985 2.327 168 HG3 GLN 20 HG1 GLN 20 3.715 7.556 1.297 169 HE21 GLN 20 HE21 GLN 20 4.475 5.583 2.870 170 HE22 GLN 20 HE22 GLN 20 3.373 5.341 4.179 171 H LEU 21 HN LEU 21 8.414 7.388 0.388 172 HA LEU 21 HA LEU 21 10.074 8.970 2.148 173 HB2 LEU 21 HB2 LEU 21 10.563 6.667 0.293 174 HB3 LEU 21 HB1 LEU 21 11.909 7.584 0.944 175 HG LEU 21 HG LEU 21 9.879 6.502 2.844 176 HD11 LEU 21 HD11 LEU 21 12.120 4.700 2.336 177 HD12 LEU 21 HD12 LEU 21 10.973 4.804 1.001 178 HD13 LEU 21 HD13 LEU 21 10.414 4.345 2.610 179 HD21 LEU 21 HD21 LEU 21 11.509 6.782 4.398 180 HD22 LEU 21 HD22 LEU 21 12.057 7.986 3.231 181 HD23 LEU 21 HD23 LEU 21 12.807 6.391 3.270 182 H SER 22 HN SER 22 9.063 9.031 -1.137 183 HA SER 22 HA SER 22 11.284 10.596 -2.095 184 HB2 SER 22 HB2 SER 22 9.844 9.016 -3.500 185 HB3 SER 22 HB1 SER 22 8.610 10.275 -3.458 186 HG SER 22 HG SER 22 10.177 10.252 -5.288 187 H SER 23 HN SER 23 8.132 11.183 -0.741 188 HA SER 23 HA SER 23 8.707 13.907 -0.223 189 HB2 SER 23 HB2 SER 23 8.233 14.288 -2.550 190 HB3 SER 23 HB1 SER 23 6.766 13.313 -2.465 191 HG SER 23 HG SER 23 5.999 15.314 -2.250 192 H LYS 24 HN LYS 24 7.963 13.804 1.807 193 HA LYS 24 HA LYS 24 5.639 12.312 2.541 194 HB2 LYS 24 HB2 LYS 24 7.812 13.592 3.880 195 HB3 LYS 24 HB1 LYS 24 6.312 14.185 4.578 196 HG2 LYS 24 HG2 LYS 24 5.742 12.155 5.436 197 HG3 LYS 24 HG1 LYS 24 6.586 11.259 4.171 198 HD2 LYS 24 HD2 LYS 24 8.614 11.400 5.235 199 HD3 LYS 24 HD1 LYS 24 8.194 12.898 6.067 200 HE2 LYS 24 HE2 LYS 24 6.485 10.697 6.867 201 HE3 LYS 24 HE1 LYS 24 8.190 10.340 7.144 202 HZ1 LYS 24 HZ1 LYS 24 6.864 12.829 8.064 203 HZ2 LYS 24 HZ2 LYS 24 8.411 12.281 8.472 204 HZ3 LYS 24 HZ3 LYS 24 7.046 11.452 9.030 205 H LYS 25 HN LYS 25 6.336 15.800 2.851 206 HA LYS 25 HA LYS 25 3.632 16.408 1.945 207 HB2 LYS 25 HB2 LYS 25 4.713 17.357 4.606 208 HB3 LYS 25 HB1 LYS 25 3.208 17.891 3.871 209 HG2 LYS 25 HG2 LYS 25 3.780 15.028 4.592 210 HG3 LYS 25 HG1 LYS 25 2.964 16.169 5.663 211 HD2 LYS 25 HD2 LYS 25 1.280 16.535 3.845 212 HD3 LYS 25 HD1 LYS 25 2.042 15.214 2.956 213 HE2 LYS 25 HE2 LYS 25 1.488 13.646 4.664 214 HE3 LYS 25 HE1 LYS 25 0.963 14.930 5.753 215 HZ1 LYS 25 HZ1 LYS 25 -0.646 15.380 3.704 216 HZ2 LYS 25 HZ2 LYS 25 -1.045 14.321 4.961 217 HZ3 LYS 25 HZ3 LYS 25 -0.433 13.712 3.507 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 -13.136 -4.168 -4.548 2 H2 LYS 1 HT2 LYS 1 -13.154 -2.556 -3.959 3 H3 LYS 1 HT3 LYS 1 -14.270 -3.708 -3.348 4 HA LYS 1 HA LYS 1 -11.357 -3.986 -3.102 5 HB2 LYS 1 HB2 LYS 1 -13.383 -2.620 -1.334 6 HB3 LYS 1 HB1 LYS 1 -11.856 -3.225 -0.705 7 HG2 LYS 1 HG2 LYS 1 -10.640 -1.592 -1.696 8 HG3 LYS 1 HG1 LYS 1 -11.720 -1.476 -3.086 9 HD2 LYS 1 HD2 LYS 1 -12.709 -0.610 -0.410 10 HD3 LYS 1 HD1 LYS 1 -11.608 0.447 -1.296 11 HE2 LYS 1 HE2 LYS 1 -13.979 -0.700 -2.697 12 HE3 LYS 1 HE1 LYS 1 -14.206 0.658 -1.595 13 HZ1 LYS 1 HZ1 LYS 1 -12.889 2.035 -2.900 14 HZ2 LYS 1 HZ2 LYS 1 -13.775 1.160 -4.044 15 HZ3 LYS 1 HZ3 LYS 1 -12.165 0.749 -3.729 16 H LYS 2 HN LYS 2 -11.154 -6.141 -3.011 17 HA LYS 2 HA LYS 2 -12.487 -7.560 -0.863 18 HB2 LYS 2 HB2 LYS 2 -13.507 -7.709 -3.547 19 HB3 LYS 2 HB1 LYS 2 -12.747 -9.259 -3.188 20 HG2 LYS 2 HG2 LYS 2 -14.166 -9.636 -1.338 21 HG3 LYS 2 HG1 LYS 2 -14.740 -7.967 -1.342 22 HD2 LYS 2 HD2 LYS 2 -15.370 -8.785 -3.870 23 HD3 LYS 2 HD1 LYS 2 -15.609 -10.266 -2.941 24 HE2 LYS 2 HE2 LYS 2 -16.847 -8.551 -1.315 25 HE3 LYS 2 HE1 LYS 2 -17.074 -7.691 -2.837 26 HZ1 LYS 2 HZ1 LYS 2 -18.931 -9.105 -2.539 27 HZ2 LYS 2 HZ2 LYS 2 -17.962 -10.441 -2.169 28 HZ3 LYS 2 HZ3 LYS 2 -17.980 -9.821 -3.743 29 H SER 3 HN SER 3 -10.890 -8.621 -3.875 30 HA SER 3 HA SER 3 -9.083 -10.283 -2.343 31 HB2 SER 3 HB2 SER 3 -9.704 -9.938 -5.255 32 HB3 SER 3 HB1 SER 3 -8.209 -10.741 -4.777 33 HG SER 3 HG SER 3 -10.485 -11.601 -3.462 34 H HIS 4 HN HIS 4 -8.834 -7.490 -4.522 35 HA HIS 4 HA HIS 4 -6.031 -7.279 -4.477 36 HB2 HIS 4 HB2 HIS 4 -8.072 -5.969 -5.775 37 HB3 HIS 4 HB1 HIS 4 -7.453 -4.723 -4.695 38 HD1 HIS 4 HD1 HIS 4 -6.646 -6.608 -7.773 39 HD2 HIS 4 HD2 HIS 4 -4.735 -3.989 -5.174 40 HE1 HIS 4 HE1 HIS 4 -4.557 -5.878 -8.970 41 HE2 HIS 4 HE2 HIS 4 -3.361 -4.385 -7.330 42 H THR 5 HN THR 5 -8.517 -5.781 -2.429 43 HA THR 5 HA THR 5 -6.813 -4.116 -0.960 44 HB THR 5 HB THR 5 -9.266 -3.918 -0.928 45 HG1 THR 5 HG1 THR 5 -9.433 -3.519 1.303 46 HG21 THR 5 HG21 THR 5 -9.238 -6.640 -0.254 47 HG22 THR 5 HG22 THR 5 -10.632 -5.574 -0.419 48 HG23 THR 5 HG23 THR 5 -9.859 -5.778 1.153 49 H ALA 6 HN ALA 6 -7.557 -7.518 -0.633 50 HA ALA 6 HA ALA 6 -6.618 -7.977 1.951 51 HB1 ALA 6 HB1 ALA 6 -6.502 -9.803 -0.445 52 HB2 ALA 6 HB2 ALA 6 -7.845 -9.650 0.688 53 HB3 ALA 6 HB3 ALA 6 -6.299 -10.302 1.234 54 H SER 7 HN SER 7 -4.818 -8.947 -0.949 55 HA SER 7 HA SER 7 -2.293 -8.989 0.368 56 HB2 SER 7 HB2 SER 7 -2.750 -10.377 -1.595 57 HB3 SER 7 HB1 SER 7 -2.962 -8.936 -2.589 58 HG SER 7 HG SER 7 -0.832 -8.529 -2.485 59 H TYR 8 HN TYR 8 -4.070 -6.265 -0.355 60 HA TYR 8 HA TYR 8 -1.918 -4.770 -1.461 61 HB2 TYR 8 HB2 TYR 8 -3.426 -3.222 -1.835 62 HB3 TYR 8 HB1 TYR 8 -4.640 -4.176 -0.975 63 HD1 TYR 8 HD1 TYR 8 -4.043 -1.087 -1.359 64 HD2 TYR 8 HD2 TYR 8 -3.511 -3.844 1.864 65 HE1 TYR 8 HE1 TYR 8 -4.143 0.777 0.230 66 HE2 TYR 8 HE2 TYR 8 -3.585 -1.937 3.454 67 HH TYR 8 HH TYR 8 -3.802 1.402 2.370 68 H LEU 9 HN LEU 9 -3.020 -5.511 1.792 69 HA LEU 9 HA LEU 9 -1.249 -3.604 2.920 70 HB2 LEU 9 HB2 LEU 9 -3.006 -5.703 3.975 71 HB3 LEU 9 HB1 LEU 9 -1.569 -5.395 4.932 72 HG LEU 9 HG LEU 9 -2.559 -2.850 4.385 73 HD11 LEU 9 HD11 LEU 9 -4.822 -4.736 5.074 74 HD12 LEU 9 HD12 LEU 9 -4.655 -3.790 3.595 75 HD13 LEU 9 HD13 LEU 9 -4.903 -2.976 5.139 76 HD21 LEU 9 HD21 LEU 9 -1.886 -4.451 6.601 77 HD22 LEU 9 HD22 LEU 9 -3.503 -3.827 6.925 78 HD23 LEU 9 HD23 LEU 9 -2.182 -2.714 6.575 79 H ARG 10 HN ARG 10 -0.925 -6.285 1.204 80 HA ARG 10 HA ARG 10 1.485 -7.330 2.344 81 HB2 ARG 10 HB2 ARG 10 -0.182 -8.263 0.024 82 HB3 ARG 10 HB1 ARG 10 1.195 -9.111 0.698 83 HG2 ARG 10 HG2 ARG 10 -0.961 -10.041 1.440 84 HG3 ARG 10 HG1 ARG 10 0.044 -9.481 2.770 85 HD2 ARG 10 HD2 ARG 10 -2.010 -7.562 1.702 86 HD3 ARG 10 HD1 ARG 10 -2.568 -8.952 2.623 87 HE ARG 10 HE ARG 10 -1.200 -6.661 3.615 88 HH11 ARG 10 HH11 ARG 10 -1.896 -10.034 4.171 89 HH12 ARG 10 HH12 ARG 10 -1.564 -9.962 5.869 90 HH21 ARG 10 HH21 ARG 10 -0.732 -6.574 5.875 91 HH22 ARG 10 HH22 ARG 10 -0.907 -8.004 6.832 92 H LEU 11 HN LEU 11 0.278 -5.435 -0.288 93 HA LEU 11 HA LEU 11 2.881 -5.275 -1.664 94 HB2 LEU 11 HB2 LEU 11 1.659 -5.014 -3.539 95 HB3 LEU 11 HB1 LEU 11 0.262 -5.431 -2.580 96 HG LEU 11 HG LEU 11 0.777 -2.543 -2.423 97 HD11 LEU 11 HD11 LEU 11 -0.005 -3.475 -5.153 98 HD12 LEU 11 HD12 LEU 11 1.698 -3.254 -4.751 99 HD13 LEU 11 HD13 LEU 11 0.578 -1.898 -4.621 100 HD21 LEU 11 HD21 LEU 11 -1.435 -4.441 -2.987 101 HD22 LEU 11 HD22 LEU 11 -1.610 -2.770 -3.524 102 HD23 LEU 11 HD23 LEU 11 -1.328 -3.124 -1.815 103 H TRP 12 HN TRP 12 0.246 -3.226 -0.824 104 HA TRP 12 HA TRP 12 1.302 -0.776 -0.966 105 HB2 TRP 12 HB2 TRP 12 -0.852 -0.500 -0.658 106 HB3 TRP 12 HB1 TRP 12 -1.015 -2.049 0.132 107 HD1 TRP 12 HD1 TRP 12 -1.486 1.389 0.648 108 HE1 TRP 12 HE1 TRP 12 -1.827 1.982 3.152 109 HE3 TRP 12 HE3 TRP 12 0.269 -2.881 2.627 110 HZ2 TRP 12 HZ2 TRP 12 -1.393 0.693 5.648 111 HZ3 TRP 12 HZ3 TRP 12 0.281 -3.193 5.059 112 HH2 TRP 12 HH2 TRP 12 -0.519 -1.420 6.552 113 H ALA 13 HN ALA 13 1.955 -3.171 1.432 114 HA ALA 13 HA ALA 13 2.816 -1.385 3.498 115 HB1 ALA 13 HB1 ALA 13 3.905 -3.583 4.354 116 HB2 ALA 13 HB2 ALA 13 2.950 -4.338 3.078 117 HB3 ALA 13 HB3 ALA 13 2.149 -3.424 4.355 118 H LEU 14 HN LEU 14 4.665 -3.745 1.546 119 HA LEU 14 HA LEU 14 7.178 -2.685 2.179 120 HB2 LEU 14 HB2 LEU 14 8.049 -3.973 0.359 121 HB3 LEU 14 HB1 LEU 14 6.789 -4.905 1.144 122 HG LEU 14 HG LEU 14 5.426 -3.594 -0.871 123 HD11 LEU 14 HD11 LEU 14 7.308 -2.790 -2.017 124 HD12 LEU 14 HD12 LEU 14 6.824 -4.244 -2.891 125 HD13 LEU 14 HD13 LEU 14 8.197 -4.295 -1.785 126 HD21 LEU 14 HD21 LEU 14 4.734 -5.697 -1.019 127 HD22 LEU 14 HD22 LEU 14 6.142 -6.260 -0.120 128 HD23 LEU 14 HD23 LEU 14 6.221 -6.103 -1.874 129 H SER 15 HN SER 15 4.733 -1.564 0.032 130 HA SER 15 HA SER 15 6.567 0.214 -1.377 131 HB2 SER 15 HB2 SER 15 3.592 -0.224 -1.733 132 HB3 SER 15 HB1 SER 15 4.599 0.809 -2.748 133 HG SER 15 HG SER 15 4.436 -1.966 -2.629 134 H LEU 16 HN LEU 16 4.657 0.223 1.393 135 HA LEU 16 HA LEU 16 3.738 2.908 1.380 136 HB2 LEU 16 HB2 LEU 16 3.396 0.689 3.003 137 HB3 LEU 16 HB1 LEU 16 4.289 1.801 4.020 138 HG LEU 16 HG LEU 16 1.734 2.540 2.600 139 HD11 LEU 16 HD11 LEU 16 0.563 2.159 4.640 140 HD12 LEU 16 HD12 LEU 16 2.058 1.780 5.495 141 HD13 LEU 16 HD13 LEU 16 1.450 0.685 4.253 142 HD21 LEU 16 HD21 LEU 16 2.561 4.571 3.128 143 HD22 LEU 16 HD22 LEU 16 3.650 3.928 4.357 144 HD23 LEU 16 HD23 LEU 16 1.944 4.173 4.732 145 H ALA 17 HN ALA 17 6.827 1.597 1.653 146 HA ALA 17 HA ALA 17 7.824 3.798 3.320 147 HB1 ALA 17 HB1 ALA 17 9.582 1.610 2.217 148 HB2 ALA 17 HB2 ALA 17 8.677 1.440 3.729 149 HB3 ALA 17 HB3 ALA 17 9.889 2.703 3.563 150 H HIS 18 HN HIS 18 8.981 2.307 0.293 151 HA HIS 18 HA HIS 18 10.526 4.482 -0.509 152 HB2 HIS 18 HB2 HIS 18 10.653 3.439 -2.653 153 HB3 HIS 18 HB1 HIS 18 10.581 2.152 -1.454 154 HD1 HIS 18 HD1 HIS 18 8.287 3.943 -3.886 155 HD2 HIS 18 HD2 HIS 18 8.616 0.339 -1.857 156 HE1 HIS 18 HE1 HIS 18 6.461 2.483 -4.816 157 HE2 HIS 18 HE2 HIS 18 6.786 0.255 -3.687 158 H ALA 19 HN ALA 19 7.105 4.109 -0.557 159 HA ALA 19 HA ALA 19 6.552 5.941 -2.675 160 HB1 ALA 19 HB1 ALA 19 4.230 5.932 -1.598 161 HB2 ALA 19 HB2 ALA 19 4.886 4.711 -0.507 162 HB3 ALA 19 HB3 ALA 19 4.843 4.409 -2.244 163 H GLN 20 HN GLN 20 7.084 6.248 0.767 164 HA GLN 20 HA GLN 20 5.978 8.832 1.089 165 HB2 GLN 20 HB2 GLN 20 7.906 7.165 2.659 166 HB3 GLN 20 HB1 GLN 20 7.659 8.850 3.093 167 HG2 GLN 20 HG2 GLN 20 5.412 8.504 3.636 168 HG3 GLN 20 HG1 GLN 20 5.359 6.956 2.795 169 HE21 GLN 20 HE21 GLN 20 7.456 5.610 3.728 170 HE22 GLN 20 HE22 GLN 20 7.340 5.371 5.435 171 H LEU 21 HN LEU 21 8.925 7.740 -0.315 172 HA LEU 21 HA LEU 21 10.417 10.139 0.087 173 HB2 LEU 21 HB2 LEU 21 10.777 7.857 -1.850 174 HB3 LEU 21 HB1 LEU 21 11.913 9.181 -1.678 175 HG LEU 21 HG LEU 21 11.182 7.217 0.495 176 HD11 LEU 21 HD11 LEU 21 12.547 5.901 -0.721 177 HD12 LEU 21 HD12 LEU 21 13.810 6.861 0.050 178 HD13 LEU 21 HD13 LEU 21 13.271 7.259 -1.581 179 HD21 LEU 21 HD21 LEU 21 13.344 8.317 1.461 180 HD22 LEU 21 HD22 LEU 21 11.779 9.104 1.669 181 HD23 LEU 21 HD23 LEU 21 12.889 9.663 0.417 182 H SER 22 HN SER 22 7.942 9.217 -2.098 183 HA SER 22 HA SER 22 8.670 10.978 -4.231 184 HB2 SER 22 HB2 SER 22 5.867 10.002 -3.754 185 HB3 SER 22 HB1 SER 22 6.692 10.297 -5.284 186 HG SER 22 HG SER 22 6.595 8.040 -3.785 187 H SER 23 HN SER 23 6.370 11.126 -1.541 188 HA SER 23 HA SER 23 6.487 14.026 -1.607 189 HB2 SER 23 HB2 SER 23 3.905 12.494 -1.985 190 HB3 SER 23 HB1 SER 23 3.976 14.199 -1.541 191 HG SER 23 HG SER 23 3.793 14.103 -3.746 192 H LYS 24 HN LYS 24 4.234 11.685 -0.162 193 HA LYS 24 HA LYS 24 5.447 11.649 2.381 194 HB2 LYS 24 HB2 LYS 24 3.857 13.958 1.842 195 HB3 LYS 24 HB1 LYS 24 3.017 12.978 3.036 196 HG2 LYS 24 HG2 LYS 24 4.533 13.394 4.641 197 HG3 LYS 24 HG1 LYS 24 5.893 13.353 3.517 198 HD2 LYS 24 HD2 LYS 24 5.399 15.588 2.762 199 HD3 LYS 24 HD1 LYS 24 3.923 15.628 3.729 200 HE2 LYS 24 HE2 LYS 24 5.445 16.822 5.021 201 HE3 LYS 24 HE1 LYS 24 5.477 15.210 5.736 202 HZ1 LYS 24 HZ1 LYS 24 7.602 14.930 5.168 203 HZ2 LYS 24 HZ2 LYS 24 7.648 16.604 4.931 204 HZ3 LYS 24 HZ3 LYS 24 7.390 15.572 3.616 205 H LYS 25 HN LYS 25 1.989 11.988 1.662 206 HA LYS 25 HA LYS 25 1.629 9.186 2.497 207 HB2 LYS 25 HB2 LYS 25 0.500 11.228 3.699 208 HB3 LYS 25 HB1 LYS 25 -0.624 11.154 2.348 209 HG2 LYS 25 HG2 LYS 25 -0.001 8.782 4.085 210 HG3 LYS 25 HG1 LYS 25 -1.307 9.918 4.431 211 HD2 LYS 25 HD2 LYS 25 -1.682 9.287 1.765 212 HD3 LYS 25 HD1 LYS 25 -1.179 7.756 2.487 213 HE2 LYS 25 HE2 LYS 25 -3.578 7.924 2.588 214 HE3 LYS 25 HE1 LYS 25 -2.922 8.050 4.219 215 HZ1 LYS 25 HZ1 LYS 25 -4.487 9.925 2.758 216 HZ2 LYS 25 HZ2 LYS 25 -3.049 10.633 3.297 217 HZ3 LYS 25 HZ3 LYS 25 -4.100 9.905 4.405 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 -14.466 -5.015 -1.337 2 H2 LYS 1 HT2 LYS 1 -15.018 -4.902 0.285 3 H3 LYS 1 HT3 LYS 1 -15.938 -5.766 -0.879 4 HA LYS 1 HA LYS 1 -13.385 -6.473 0.368 5 HB2 LYS 1 HB2 LYS 1 -16.159 -7.601 0.161 6 HB3 LYS 1 HB1 LYS 1 -14.802 -8.661 0.516 7 HG2 LYS 1 HG2 LYS 1 -14.313 -7.495 2.530 8 HG3 LYS 1 HG1 LYS 1 -15.451 -6.207 2.128 9 HD2 LYS 1 HD2 LYS 1 -16.880 -7.355 3.427 10 HD3 LYS 1 HD1 LYS 1 -17.056 -8.405 2.020 11 HE2 LYS 1 HE2 LYS 1 -15.166 -9.780 2.926 12 HE3 LYS 1 HE1 LYS 1 -15.246 -8.808 4.395 13 HZ1 LYS 1 HZ1 LYS 1 -17.159 -10.782 3.368 14 HZ2 LYS 1 HZ2 LYS 1 -17.740 -9.504 4.311 15 HZ3 LYS 1 HZ3 LYS 1 -16.582 -10.562 4.944 16 H LYS 2 HN LYS 2 -11.859 -7.152 -0.981 17 HA LYS 2 HA LYS 2 -12.508 -9.056 -3.069 18 HB2 LYS 2 HB2 LYS 2 -12.183 -6.266 -3.703 19 HB3 LYS 2 HB1 LYS 2 -10.770 -7.119 -4.322 20 HG2 LYS 2 HG2 LYS 2 -12.451 -8.758 -5.356 21 HG3 LYS 2 HG1 LYS 2 -13.658 -7.513 -5.026 22 HD2 LYS 2 HD2 LYS 2 -11.388 -6.289 -6.249 23 HD3 LYS 2 HD1 LYS 2 -11.863 -7.689 -7.212 24 HE2 LYS 2 HE2 LYS 2 -14.118 -6.059 -6.318 25 HE3 LYS 2 HE1 LYS 2 -12.987 -5.190 -7.355 26 HZ1 LYS 2 HZ1 LYS 2 -14.612 -6.198 -8.734 27 HZ2 LYS 2 HZ2 LYS 2 -14.431 -7.704 -7.985 28 HZ3 LYS 2 HZ3 LYS 2 -13.183 -7.080 -8.941 29 H SER 3 HN SER 3 -10.253 -9.407 -4.359 30 HA SER 3 HA SER 3 -8.474 -10.435 -2.381 31 HB2 SER 3 HB2 SER 3 -8.908 -11.517 -4.603 32 HB3 SER 3 HB1 SER 3 -7.994 -10.213 -5.360 33 HG SER 3 HG SER 3 -6.321 -11.406 -4.953 34 H HIS 4 HN HIS 4 -8.409 -7.686 -4.587 35 HA HIS 4 HA HIS 4 -5.782 -6.884 -4.389 36 HB2 HIS 4 HB2 HIS 4 -7.385 -5.778 -5.859 37 HB3 HIS 4 HB1 HIS 4 -8.252 -5.135 -4.468 38 HD1 HIS 4 HD1 HIS 4 -5.520 -4.385 -6.768 39 HD2 HIS 4 HD2 HIS 4 -6.697 -3.172 -2.972 40 HE1 HIS 4 HE1 HIS 4 -4.251 -2.261 -6.317 41 HE2 HIS 4 HE2 HIS 4 -4.900 -1.604 -3.974 42 H THR 5 HN THR 5 -8.415 -5.531 -2.390 43 HA THR 5 HA THR 5 -6.980 -4.068 -0.609 44 HB THR 5 HB THR 5 -9.336 -3.986 -0.460 45 HG1 THR 5 HG1 THR 5 -9.686 -4.374 1.738 46 HG21 THR 5 HG21 THR 5 -9.330 -6.903 0.271 47 HG22 THR 5 HG22 THR 5 -9.897 -6.212 -1.249 48 HG23 THR 5 HG23 THR 5 -10.737 -5.841 0.257 49 H ALA 6 HN ALA 6 -7.582 -7.556 -0.395 50 HA ALA 6 HA ALA 6 -6.390 -8.015 2.090 51 HB1 ALA 6 HB1 ALA 6 -6.001 -10.355 1.153 52 HB2 ALA 6 HB2 ALA 6 -6.758 -9.762 -0.325 53 HB3 ALA 6 HB3 ALA 6 -7.664 -9.770 1.188 54 H SER 7 HN SER 7 -4.916 -8.949 -0.999 55 HA SER 7 HA SER 7 -2.260 -9.032 0.029 56 HB2 SER 7 HB2 SER 7 -3.271 -10.222 -2.046 57 HB3 SER 7 HB1 SER 7 -2.920 -8.715 -2.893 58 HG SER 7 HG SER 7 -0.974 -10.100 -1.376 59 H TYR 8 HN TYR 8 -4.086 -6.289 -0.407 60 HA TYR 8 HA TYR 8 -2.032 -4.777 -1.692 61 HB2 TYR 8 HB2 TYR 8 -3.525 -3.178 -1.893 62 HB3 TYR 8 HB1 TYR 8 -4.705 -4.185 -1.045 63 HD1 TYR 8 HD1 TYR 8 -3.390 -4.007 1.753 64 HD2 TYR 8 HD2 TYR 8 -4.199 -1.084 -1.256 65 HE1 TYR 8 HE1 TYR 8 -3.396 -2.211 3.452 66 HE2 TYR 8 HE2 TYR 8 -4.232 0.680 0.447 67 HH TYR 8 HH TYR 8 -3.363 0.034 3.792 68 H LEU 9 HN LEU 9 -2.847 -5.652 1.597 69 HA LEU 9 HA LEU 9 -1.039 -3.737 2.656 70 HB2 LEU 9 HB2 LEU 9 -2.765 -5.796 3.761 71 HB3 LEU 9 HB1 LEU 9 -1.222 -5.699 4.588 72 HG LEU 9 HG LEU 9 -2.193 -3.037 4.240 73 HD11 LEU 9 HD11 LEU 9 -4.160 -4.719 5.772 74 HD12 LEU 9 HD12 LEU 9 -4.395 -4.352 4.064 75 HD13 LEU 9 HD13 LEU 9 -4.307 -3.043 5.242 76 HD21 LEU 9 HD21 LEU 9 -2.181 -4.576 6.819 77 HD22 LEU 9 HD22 LEU 9 -1.796 -2.880 6.532 78 HD23 LEU 9 HD23 LEU 9 -0.676 -4.139 6.011 79 H ARG 10 HN ARG 10 -0.796 -6.342 0.825 80 HA ARG 10 HA ARG 10 1.689 -7.410 1.759 81 HB2 ARG 10 HB2 ARG 10 -0.103 -8.197 -0.520 82 HB3 ARG 10 HB1 ARG 10 1.331 -9.067 -0.014 83 HG2 ARG 10 HG2 ARG 10 -0.790 -10.072 0.787 84 HG3 ARG 10 HG1 ARG 10 0.339 -9.662 2.071 85 HD2 ARG 10 HD2 ARG 10 -1.817 -7.670 1.362 86 HD3 ARG 10 HD1 ARG 10 -2.233 -9.110 2.286 87 HE ARG 10 HE ARG 10 -0.920 -6.824 3.242 88 HH11 ARG 10 HH11 ARG 10 -0.905 -10.304 3.533 89 HH12 ARG 10 HH12 ARG 10 -0.236 -10.301 5.130 90 HH21 ARG 10 HH21 ARG 10 -0.017 -6.824 5.360 91 HH22 ARG 10 HH22 ARG 10 0.263 -8.330 6.165 92 H LEU 11 HN LEU 11 0.263 -5.558 -0.823 93 HA LEU 11 HA LEU 11 2.761 -5.203 -2.311 94 HB2 LEU 11 HB2 LEU 11 1.374 -4.897 -4.060 95 HB3 LEU 11 HB1 LEU 11 0.060 -5.338 -2.998 96 HG LEU 11 HG LEU 11 0.616 -2.462 -2.792 97 HD11 LEU 11 HD11 LEU 11 1.390 -2.836 -5.125 98 HD12 LEU 11 HD12 LEU 11 -0.049 -1.823 -5.001 99 HD13 LEU 11 HD13 LEU 11 -0.197 -3.507 -5.503 100 HD21 LEU 11 HD21 LEU 11 -1.847 -2.554 -3.599 101 HD22 LEU 11 HD22 LEU 11 -1.425 -3.162 -1.995 102 HD23 LEU 11 HD23 LEU 11 -1.686 -4.290 -3.327 103 H TRP 12 HN TRP 12 0.180 -3.239 -1.165 104 HA TRP 12 HA TRP 12 1.245 -0.772 -1.249 105 HB2 TRP 12 HB2 TRP 12 -0.906 -0.515 -0.884 106 HB3 TRP 12 HB1 TRP 12 -1.050 -2.087 -0.137 107 HD1 TRP 12 HD1 TRP 12 -1.582 1.305 0.514 108 HE1 TRP 12 HE1 TRP 12 -1.782 1.825 3.048 109 HE3 TRP 12 HE3 TRP 12 0.422 -2.955 2.273 110 HZ2 TRP 12 HZ2 TRP 12 -1.158 0.491 5.483 111 HZ3 TRP 12 HZ3 TRP 12 0.586 -3.332 4.688 112 HH2 TRP 12 HH2 TRP 12 -0.172 -1.619 6.276 113 H ALA 13 HN ALA 13 2.181 -3.272 0.861 114 HA ALA 13 HA ALA 13 3.001 -1.551 3.029 115 HB1 ALA 13 HB1 ALA 13 2.988 -4.474 2.530 116 HB2 ALA 13 HB2 ALA 13 2.420 -3.562 3.929 117 HB3 ALA 13 HB3 ALA 13 4.147 -3.839 3.699 118 H LEU 14 HN LEU 14 4.472 -3.201 0.294 119 HA LEU 14 HA LEU 14 7.137 -2.394 1.142 120 HB2 LEU 14 HB2 LEU 14 6.074 -4.047 -1.123 121 HB3 LEU 14 HB1 LEU 14 7.739 -3.498 -1.111 122 HG LEU 14 HG LEU 14 6.617 -5.020 1.219 123 HD11 LEU 14 HD11 LEU 14 8.138 -6.521 -0.808 124 HD12 LEU 14 HD12 LEU 14 6.481 -6.101 -1.239 125 HD13 LEU 14 HD13 LEU 14 6.802 -7.033 0.224 126 HD21 LEU 14 HD21 LEU 14 8.969 -5.647 1.506 127 HD22 LEU 14 HD22 LEU 14 8.752 -3.897 1.522 128 HD23 LEU 14 HD23 LEU 14 9.392 -4.693 0.084 129 H SER 15 HN SER 15 4.899 -1.685 -1.529 130 HA SER 15 HA SER 15 6.724 0.268 -2.644 131 HB2 SER 15 HB2 SER 15 5.020 -1.345 -3.871 132 HB3 SER 15 HB1 SER 15 3.916 0.007 -3.617 133 HG SER 15 HG SER 15 5.711 1.303 -4.574 134 H LEU 16 HN LEU 16 3.511 0.332 -1.092 135 HA LEU 16 HA LEU 16 3.247 3.156 -1.310 136 HB2 LEU 16 HB2 LEU 16 1.569 1.077 -0.647 137 HB3 LEU 16 HB1 LEU 16 1.747 1.936 0.871 138 HG LEU 16 HG LEU 16 1.241 3.762 -1.329 139 HD11 LEU 16 HD11 LEU 16 -0.172 2.428 -2.469 140 HD12 LEU 16 HD12 LEU 16 -1.293 2.881 -1.186 141 HD13 LEU 16 HD13 LEU 16 -0.430 1.347 -1.101 142 HD21 LEU 16 HD21 LEU 16 1.027 4.426 0.970 143 HD22 LEU 16 HD22 LEU 16 -0.145 3.144 1.276 144 HD23 LEU 16 HD23 LEU 16 -0.564 4.487 0.212 145 H ALA 17 HN ALA 17 5.299 1.370 0.586 146 HA ALA 17 HA ALA 17 5.186 3.249 2.845 147 HB1 ALA 17 HB1 ALA 17 5.462 0.767 3.320 148 HB2 ALA 17 HB2 ALA 17 6.615 1.845 4.097 149 HB3 ALA 17 HB3 ALA 17 7.108 0.920 2.684 150 H HIS 18 HN HIS 18 7.775 1.889 0.807 151 HA HIS 18 HA HIS 18 9.693 3.818 1.424 152 HB2 HIS 18 HB2 HIS 18 10.995 2.861 -0.244 153 HB3 HIS 18 HB1 HIS 18 9.881 1.552 0.135 154 HD1 HIS 18 HD1 HIS 18 8.346 0.754 -1.702 155 HD2 HIS 18 HD2 HIS 18 10.482 4.162 -2.739 156 HE1 HIS 18 HE1 HIS 18 7.957 1.067 -4.168 157 HE2 HIS 18 HE2 HIS 18 9.150 3.210 -4.741 158 H ALA 19 HN ALA 19 7.043 3.886 -0.846 159 HA ALA 19 HA ALA 19 7.980 6.191 -2.278 160 HB1 ALA 19 HB1 ALA 19 6.560 4.562 -3.384 161 HB2 ALA 19 HB2 ALA 19 5.776 6.142 -3.359 162 HB3 ALA 19 HB3 ALA 19 5.263 4.885 -2.234 163 H GLN 20 HN GLN 20 5.981 5.620 0.522 164 HA GLN 20 HA GLN 20 4.718 8.161 0.569 165 HB2 GLN 20 HB2 GLN 20 4.964 5.855 2.389 166 HB3 GLN 20 HB1 GLN 20 4.694 7.404 3.177 167 HG2 GLN 20 HG2 GLN 20 2.979 6.608 0.875 168 HG3 GLN 20 HG1 GLN 20 2.682 5.913 2.469 169 HE21 GLN 20 HE21 GLN 20 2.879 8.908 0.652 170 HE22 GLN 20 HE22 GLN 20 1.883 9.838 1.713 171 H LEU 21 HN LEU 21 7.885 7.129 1.355 172 HA LEU 21 HA LEU 21 8.413 9.355 3.138 173 HB2 LEU 21 HB2 LEU 21 10.464 7.496 1.964 174 HB3 LEU 21 HB1 LEU 21 10.568 8.429 3.444 175 HG LEU 21 HG LEU 21 8.796 6.029 2.983 176 HD11 LEU 21 HD11 LEU 21 10.319 4.756 4.067 177 HD12 LEU 21 HD12 LEU 21 10.881 6.090 5.076 178 HD13 LEU 21 HD13 LEU 21 11.433 5.953 3.406 179 HD21 LEU 21 HD21 LEU 21 9.240 7.347 5.628 180 HD22 LEU 21 HD22 LEU 21 7.927 6.292 5.107 181 HD23 LEU 21 HD23 LEU 21 8.001 7.957 4.531 182 H SER 22 HN SER 22 8.697 8.564 -0.213 183 HA SER 22 HA SER 22 10.540 10.744 -0.763 184 HB2 SER 22 HB2 SER 22 10.547 8.471 -1.960 185 HB3 SER 22 HB1 SER 22 9.125 9.057 -2.823 186 HG SER 22 HG SER 22 11.625 10.398 -2.736 187 H SER 23 HN SER 23 7.133 10.096 -0.805 188 HA SER 23 HA SER 23 6.678 12.763 -1.977 189 HB2 SER 23 HB2 SER 23 4.543 10.697 -2.192 190 HB3 SER 23 HB1 SER 23 4.962 12.003 -3.300 191 HG SER 23 HG SER 23 6.032 10.574 -4.385 192 H LYS 24 HN LYS 24 7.075 12.573 0.693 193 HA LYS 24 HA LYS 24 4.771 12.071 2.236 194 HB2 LYS 24 HB2 LYS 24 7.370 13.442 2.661 195 HB3 LYS 24 HB1 LYS 24 6.070 13.847 3.774 196 HG2 LYS 24 HG2 LYS 24 5.825 11.255 3.974 197 HG3 LYS 24 HG1 LYS 24 7.485 11.257 3.373 198 HD2 LYS 24 HD2 LYS 24 6.764 13.071 5.626 199 HD3 LYS 24 HD1 LYS 24 6.979 11.350 5.952 200 HE2 LYS 24 HE2 LYS 24 9.143 11.897 6.198 201 HE3 LYS 24 HE1 LYS 24 9.167 11.872 4.435 202 HZ1 LYS 24 HZ1 LYS 24 8.488 14.323 4.655 203 HZ2 LYS 24 HZ2 LYS 24 10.099 13.906 4.957 204 HZ3 LYS 24 HZ3 LYS 24 9.045 14.195 6.247 205 H LYS 25 HN LYS 25 6.119 15.095 0.943 206 HA LYS 25 HA LYS 25 3.830 16.616 1.836 207 HB2 LYS 25 HB2 LYS 25 6.283 17.424 1.645 208 HB3 LYS 25 HB1 LYS 25 5.931 17.617 -0.067 209 HG2 LYS 25 HG2 LYS 25 5.457 19.714 0.678 210 HG3 LYS 25 HG1 LYS 25 3.867 18.967 0.849 211 HD2 LYS 25 HD2 LYS 25 4.000 19.826 2.936 212 HD3 LYS 25 HD1 LYS 25 4.926 18.356 3.246 213 HE2 LYS 25 HE2 LYS 25 6.181 20.158 4.145 214 HE3 LYS 25 HE1 LYS 25 6.993 19.662 2.661 215 HZ1 LYS 25 HZ1 LYS 25 5.078 21.660 2.089 216 HZ2 LYS 25 HZ2 LYS 25 6.752 21.695 1.851 217 HZ3 LYS 25 HZ3 LYS 25 6.099 22.197 3.327 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 -11.649 -4.560 -1.619 2 H2 LYS 1 HT2 LYS 1 -11.622 -3.604 -3.044 3 H3 LYS 1 HT3 LYS 1 -10.736 -5.073 -2.976 4 HA LYS 1 HA LYS 1 -13.640 -4.674 -3.073 5 HB2 LYS 1 HB2 LYS 1 -11.504 -5.428 -4.893 6 HB3 LYS 1 HB1 LYS 1 -12.756 -6.659 -4.832 7 HG2 LYS 1 HG2 LYS 1 -14.146 -4.260 -5.012 8 HG3 LYS 1 HG1 LYS 1 -12.773 -4.068 -6.103 9 HD2 LYS 1 HD2 LYS 1 -13.829 -6.681 -6.472 10 HD3 LYS 1 HD1 LYS 1 -15.174 -5.541 -6.506 11 HE2 LYS 1 HE2 LYS 1 -14.284 -5.861 -8.739 12 HE3 LYS 1 HE1 LYS 1 -13.987 -4.211 -8.193 13 HZ1 LYS 1 HZ1 LYS 1 -12.097 -6.358 -8.732 14 HZ2 LYS 1 HZ2 LYS 1 -11.741 -5.363 -7.412 15 HZ3 LYS 1 HZ3 LYS 1 -11.931 -4.688 -8.951 16 H LYS 2 HN LYS 2 -11.522 -7.501 -3.388 17 HA LYS 2 HA LYS 2 -12.637 -8.711 -0.992 18 HB2 LYS 2 HB2 LYS 2 -13.753 -9.255 -3.592 19 HB3 LYS 2 HB1 LYS 2 -12.893 -10.702 -3.065 20 HG2 LYS 2 HG2 LYS 2 -15.010 -9.258 -1.475 21 HG3 LYS 2 HG1 LYS 2 -15.254 -10.728 -2.420 22 HD2 LYS 2 HD2 LYS 2 -13.298 -11.653 -0.962 23 HD3 LYS 2 HD1 LYS 2 -13.740 -10.337 0.129 24 HE2 LYS 2 HE2 LYS 2 -15.851 -12.171 -0.924 25 HE3 LYS 2 HE1 LYS 2 -14.824 -12.695 0.410 26 HZ1 LYS 2 HZ1 LYS 2 -16.915 -11.633 1.129 27 HZ2 LYS 2 HZ2 LYS 2 -16.414 -10.187 0.410 28 HZ3 LYS 2 HZ3 LYS 2 -15.540 -10.833 1.706 29 H SER 3 HN SER 3 -10.936 -9.693 -3.983 30 HA SER 3 HA SER 3 -9.030 -11.216 -2.391 31 HB2 SER 3 HB2 SER 3 -9.825 -12.362 -4.331 32 HB3 SER 3 HB1 SER 3 -9.499 -10.972 -5.366 33 HG SER 3 HG SER 3 -7.732 -12.850 -4.286 34 H HIS 4 HN HIS 4 -8.879 -8.730 -4.945 35 HA HIS 4 HA HIS 4 -6.168 -8.214 -4.875 36 HB2 HIS 4 HB2 HIS 4 -8.428 -7.067 -6.086 37 HB3 HIS 4 HB1 HIS 4 -7.632 -5.747 -5.234 38 HD1 HIS 4 HD1 HIS 4 -6.809 -8.445 -7.772 39 HD2 HIS 4 HD2 HIS 4 -5.483 -4.706 -6.539 40 HE1 HIS 4 HE1 HIS 4 -5.011 -7.798 -9.406 41 HE2 HIS 4 HE2 HIS 4 -4.158 -5.575 -8.584 42 H THR 5 HN THR 5 -8.701 -6.962 -2.758 43 HA THR 5 HA THR 5 -7.087 -5.039 -1.451 44 HB THR 5 HB THR 5 -9.511 -4.901 -1.362 45 HG1 THR 5 HG1 THR 5 -8.538 -5.459 1.238 46 HG21 THR 5 HG21 THR 5 -9.341 -7.653 -0.529 47 HG22 THR 5 HG22 THR 5 -10.728 -6.730 -1.106 48 HG23 THR 5 HG23 THR 5 -10.291 -6.691 0.602 49 H ALA 6 HN ALA 6 -7.541 -8.463 -1.027 50 HA ALA 6 HA ALA 6 -6.603 -8.749 1.596 51 HB1 ALA 6 HB1 ALA 6 -7.718 -10.555 0.406 52 HB2 ALA 6 HB2 ALA 6 -6.136 -11.079 0.984 53 HB3 ALA 6 HB3 ALA 6 -6.363 -10.671 -0.717 54 H SER 7 HN SER 7 -4.749 -9.656 -1.298 55 HA SER 7 HA SER 7 -2.222 -9.536 0.010 56 HB2 SER 7 HB2 SER 7 -2.730 -10.920 -2.011 57 HB3 SER 7 HB1 SER 7 -2.783 -9.438 -2.965 58 HG SER 7 HG SER 7 -0.609 -9.070 -2.376 59 H TYR 8 HN TYR 8 -4.159 -6.925 -0.713 60 HA TYR 8 HA TYR 8 -2.074 -5.313 -1.805 61 HB2 TYR 8 HB2 TYR 8 -3.635 -3.815 -2.196 62 HB3 TYR 8 HB1 TYR 8 -4.831 -4.871 -1.434 63 HD1 TYR 8 HD1 TYR 8 -3.835 -4.558 1.472 64 HD2 TYR 8 HD2 TYR 8 -4.451 -1.745 -1.687 65 HE1 TYR 8 HE1 TYR 8 -4.106 -2.721 3.111 66 HE2 TYR 8 HE2 TYR 8 -4.744 0.054 -0.046 67 HH TYR 8 HH TYR 8 -5.440 -0.349 3.024 68 H LEU 9 HN LEU 9 -3.176 -6.165 1.408 69 HA LEU 9 HA LEU 9 -1.598 -4.127 2.595 70 HB2 LEU 9 HB2 LEU 9 -3.290 -6.281 3.577 71 HB3 LEU 9 HB1 LEU 9 -1.857 -6.039 4.557 72 HG LEU 9 HG LEU 9 -2.966 -3.472 4.022 73 HD11 LEU 9 HD11 LEU 9 -5.184 -3.593 4.695 74 HD12 LEU 9 HD12 LEU 9 -4.997 -5.202 5.393 75 HD13 LEU 9 HD13 LEU 9 -5.030 -5.000 3.641 76 HD21 LEU 9 HD21 LEU 9 -3.132 -4.985 6.619 77 HD22 LEU 9 HD22 LEU 9 -2.909 -3.255 6.358 78 HD23 LEU 9 HD23 LEU 9 -1.601 -4.378 5.988 79 H ARG 10 HN ARG 10 -1.018 -6.755 0.871 80 HA ARG 10 HA ARG 10 1.416 -7.644 2.083 81 HB2 ARG 10 HB2 ARG 10 -0.079 -8.600 -0.341 82 HB3 ARG 10 HB1 ARG 10 1.341 -9.367 0.340 83 HG2 ARG 10 HG2 ARG 10 -0.790 -10.479 0.946 84 HG3 ARG 10 HG1 ARG 10 0.168 -9.966 2.328 85 HD2 ARG 10 HD2 ARG 10 -2.011 -8.127 1.337 86 HD3 ARG 10 HD1 ARG 10 -2.444 -9.572 2.246 87 HE ARG 10 HE ARG 10 -1.372 -7.193 3.276 88 HH11 ARG 10 HH11 ARG 10 -1.220 -10.659 3.665 89 HH12 ARG 10 HH12 ARG 10 -0.742 -10.587 5.327 90 HH21 ARG 10 HH21 ARG 10 -0.722 -7.100 5.486 91 HH22 ARG 10 HH22 ARG 10 -0.464 -8.571 6.358 92 H LEU 11 HN LEU 11 0.161 -5.882 -0.637 93 HA LEU 11 HA LEU 11 2.782 -5.434 -1.879 94 HB2 LEU 11 HB2 LEU 11 1.586 -5.245 -3.778 95 HB3 LEU 11 HB1 LEU 11 0.191 -5.751 -2.857 96 HG LEU 11 HG LEU 11 0.543 -2.840 -2.666 97 HD11 LEU 11 HD11 LEU 11 1.545 -2.928 -4.820 98 HD12 LEU 11 HD12 LEU 11 -0.139 -2.454 -5.043 99 HD13 LEU 11 HD13 LEU 11 0.367 -4.107 -5.395 100 HD21 LEU 11 HD21 LEU 11 -1.805 -3.091 -3.717 101 HD22 LEU 11 HD22 LEU 11 -1.526 -3.672 -2.073 102 HD23 LEU 11 HD23 LEU 11 -1.574 -4.814 -3.418 103 H TRP 12 HN TRP 12 -0.016 -3.596 -1.088 104 HA TRP 12 HA TRP 12 0.879 -1.078 -1.151 105 HB2 TRP 12 HB2 TRP 12 -1.300 -0.949 -0.953 106 HB3 TRP 12 HB1 TRP 12 -1.401 -2.517 -0.190 107 HD1 TRP 12 HD1 TRP 12 -2.163 0.860 0.337 108 HE1 TRP 12 HE1 TRP 12 -2.656 1.397 2.828 109 HE3 TRP 12 HE3 TRP 12 -0.151 -3.275 2.367 110 HZ2 TRP 12 HZ2 TRP 12 -2.231 0.122 5.334 111 HZ3 TRP 12 HZ3 TRP 12 -0.224 -3.614 4.793 112 HH2 TRP 12 HH2 TRP 12 -1.230 -1.924 6.263 113 H ALA 13 HN ALA 13 1.595 -3.461 1.231 114 HA ALA 13 HA ALA 13 2.175 -1.724 3.407 115 HB1 ALA 13 HB1 ALA 13 3.612 -3.844 4.061 116 HB2 ALA 13 HB2 ALA 13 2.644 -4.589 2.789 117 HB3 ALA 13 HB3 ALA 13 1.853 -3.847 4.180 118 H LEU 14 HN LEU 14 4.327 -3.566 1.242 119 HA LEU 14 HA LEU 14 6.686 -2.265 2.068 120 HB2 LEU 14 HB2 LEU 14 6.156 -3.535 -0.618 121 HB3 LEU 14 HB1 LEU 14 7.722 -3.250 0.116 122 HG LEU 14 HG LEU 14 5.691 -5.045 1.413 123 HD11 LEU 14 HD11 LEU 14 7.871 -6.270 -0.146 124 HD12 LEU 14 HD12 LEU 14 6.549 -5.568 -1.079 125 HD13 LEU 14 HD13 LEU 14 6.216 -6.816 0.122 126 HD21 LEU 14 HD21 LEU 14 7.824 -4.077 2.542 127 HD22 LEU 14 HD22 LEU 14 8.665 -5.281 1.565 128 HD23 LEU 14 HD23 LEU 14 7.438 -5.788 2.726 129 H SER 15 HN SER 15 4.124 -1.226 0.056 130 HA SER 15 HA SER 15 5.752 0.790 -1.283 131 HB2 SER 15 HB2 SER 15 4.260 -0.167 -2.810 132 HB3 SER 15 HB1 SER 15 2.941 -0.207 -1.641 133 HG SER 15 HG SER 15 2.520 1.472 -3.009 134 H LEU 16 HN LEU 16 3.681 0.473 1.437 135 HA LEU 16 HA LEU 16 2.682 3.118 1.554 136 HB2 LEU 16 HB2 LEU 16 2.154 0.869 2.932 137 HB3 LEU 16 HB1 LEU 16 3.182 1.683 4.093 138 HG LEU 16 HG LEU 16 1.632 3.699 3.811 139 HD11 LEU 16 HD11 LEU 16 -0.727 2.916 3.194 140 HD12 LEU 16 HD12 LEU 16 0.076 1.572 2.383 141 HD13 LEU 16 HD13 LEU 16 0.409 3.230 1.883 142 HD21 LEU 16 HD21 LEU 16 0.154 1.395 4.987 143 HD22 LEU 16 HD22 LEU 16 0.399 3.022 5.622 144 HD23 LEU 16 HD23 LEU 16 1.716 1.850 5.668 145 H ALA 17 HN ALA 17 5.732 1.714 2.363 146 HA ALA 17 HA ALA 17 6.523 4.090 3.911 147 HB1 ALA 17 HB1 ALA 17 8.330 1.721 3.407 148 HB2 ALA 17 HB2 ALA 17 7.183 1.793 4.755 149 HB3 ALA 17 HB3 ALA 17 8.475 2.980 4.630 150 H HIS 18 HN HIS 18 6.941 2.700 0.780 151 HA HIS 18 HA HIS 18 9.190 4.439 0.135 152 HB2 HIS 18 HB2 HIS 18 9.624 3.037 -1.589 153 HB3 HIS 18 HB1 HIS 18 8.595 1.933 -0.688 154 HD1 HIS 18 HD1 HIS 18 5.830 3.006 -1.484 155 HD2 HIS 18 HD2 HIS 18 8.962 2.450 -4.155 156 HE1 HIS 18 HE1 HIS 18 4.752 2.771 -3.743 157 HE2 HIS 18 HE2 HIS 18 6.662 2.352 -5.332 158 H ALA 19 HN ALA 19 5.778 4.512 -0.046 159 HA ALA 19 HA ALA 19 5.710 6.389 -2.260 160 HB1 ALA 19 HB1 ALA 19 3.917 4.875 -2.297 161 HB2 ALA 19 HB2 ALA 19 3.222 6.393 -1.728 162 HB3 ALA 19 HB3 ALA 19 3.581 5.103 -0.581 163 H GLN 20 HN GLN 20 5.801 6.444 1.181 164 HA GLN 20 HA GLN 20 4.674 9.072 1.458 165 HB2 GLN 20 HB2 GLN 20 5.113 8.849 3.778 166 HB3 GLN 20 HB1 GLN 20 4.606 7.263 3.212 167 HG2 GLN 20 HG2 GLN 20 7.080 6.717 3.015 168 HG3 GLN 20 HG1 GLN 20 7.362 8.184 3.951 169 HE21 GLN 20 HE21 GLN 20 4.908 5.635 4.155 170 HE22 GLN 20 HE22 GLN 20 5.216 5.231 5.807 171 H LEU 21 HN LEU 21 7.813 7.755 0.859 172 HA LEU 21 HA LEU 21 9.153 10.233 1.593 173 HB2 LEU 21 HB2 LEU 21 10.402 7.800 0.338 174 HB3 LEU 21 HB1 LEU 21 11.203 9.079 1.231 175 HG LEU 21 HG LEU 21 9.145 7.519 2.692 176 HD11 LEU 21 HD11 LEU 21 10.589 5.670 3.129 177 HD12 LEU 21 HD12 LEU 21 11.892 6.393 2.186 178 HD13 LEU 21 HD13 LEU 21 10.428 5.828 1.380 179 HD21 LEU 21 HD21 LEU 21 11.846 8.032 3.759 180 HD22 LEU 21 HD22 LEU 21 10.266 8.231 4.516 181 HD23 LEU 21 HD23 LEU 21 10.869 9.456 3.400 182 H SER 22 HN SER 22 7.909 8.634 -1.198 183 HA SER 22 HA SER 22 9.433 10.340 -3.015 184 HB2 SER 22 HB2 SER 22 8.438 8.979 -4.805 185 HB3 SER 22 HB1 SER 22 9.219 7.963 -3.594 186 HG SER 22 HG SER 22 7.317 7.000 -3.767 187 H SER 23 HN SER 23 7.152 11.203 -1.160 188 HA SER 23 HA SER 23 5.601 12.580 -3.248 189 HB2 SER 23 HB2 SER 23 4.631 10.841 -1.130 190 HB3 SER 23 HB1 SER 23 3.908 12.447 -1.035 191 HG SER 23 HG SER 23 3.166 10.541 -2.609 192 H LYS 24 HN LYS 24 7.975 13.308 -1.550 193 HA LYS 24 HA LYS 24 8.780 15.149 -0.491 194 HB2 LYS 24 HB2 LYS 24 6.429 16.094 -1.958 195 HB3 LYS 24 HB1 LYS 24 6.829 17.094 -0.568 196 HG2 LYS 24 HG2 LYS 24 7.879 17.894 -2.630 197 HG3 LYS 24 HG1 LYS 24 9.068 17.435 -1.410 198 HD2 LYS 24 HD2 LYS 24 10.031 16.208 -3.010 199 HD3 LYS 24 HD1 LYS 24 8.669 15.100 -2.830 200 HE2 LYS 24 HE2 LYS 24 8.774 15.565 -5.129 201 HE3 LYS 24 HE1 LYS 24 7.458 16.567 -4.520 202 HZ1 LYS 24 HZ1 LYS 24 8.571 18.448 -4.970 203 HZ2 LYS 24 HZ2 LYS 24 9.443 17.481 -6.049 204 HZ3 LYS 24 HZ3 LYS 24 10.074 17.816 -4.516 205 H LYS 25 HN LYS 25 9.021 15.260 1.632 206 HA LYS 25 HA LYS 25 6.911 14.502 3.417 207 HB2 LYS 25 HB2 LYS 25 9.663 14.463 3.533 208 HB3 LYS 25 HB1 LYS 25 9.254 15.774 4.632 209 HG2 LYS 25 HG2 LYS 25 7.485 13.746 5.301 210 HG3 LYS 25 HG1 LYS 25 9.009 12.916 4.985 211 HD2 LYS 25 HD2 LYS 25 8.843 15.351 6.741 212 HD3 LYS 25 HD1 LYS 25 8.597 13.720 7.369 213 HE2 LYS 25 HE2 LYS 25 10.784 13.188 7.210 214 HE3 LYS 25 HE1 LYS 25 11.000 14.089 5.710 215 HZ1 LYS 25 HZ1 LYS 25 11.842 14.842 8.211 216 HZ2 LYS 25 HZ2 LYS 25 10.505 15.832 7.907 217 HZ3 LYS 25 HZ3 LYS 25 11.806 15.813 6.826
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